#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1q h ASN 20 N 0.00 0.00 -0.92 1.09 -1.07 -2.07 -2.90 115.58 109.72 3k1q h ASN 20 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 56.30 56.55 3k1q h ASN 20 Cb 0.00 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 36.14 3k1q h ASN 20 CO 0.00 0.00 0.49 0.58 0.07 0.00 0.00 177.43 178.57 3k1q h VAL 21 N 0.00 0.65 0.17 6.14 2.07 -2.05 -3.04 116.25 120.19 3k1q h VAL 21 Ca 0.29 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3k1q h VAL 21 Cb 1.74 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3k1q h VAL 21 CO -0.00 0.11 -0.24 0.58 0.02 0.00 0.00 177.57 178.04 3k1q h VAL 22 N 0.61 0.47 -0.15 2.57 2.07 -1.94 -0.83 116.25 119.06 3k1q h VAL 22 Ca 0.53 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.10 3k1q h VAL 22 Cb 0.86 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 3k1q h VAL 22 CO -0.41 0.00 -0.42 -0.65 0.02 0.00 0.00 177.57 176.11 3k1q h PRO 23 N -0.48 -0.46 -0.86 1.57 0.11 -1.75 -1.10 132.00 129.03 3k1q h PRO 23 Ca 0.01 0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.37 3k1q h PRO 23 Cb 0.47 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 31.56 3k1q h PRO 23 CO -0.10 -0.30 0.30 0.00 -0.21 0.00 0.00 178.00 177.69 3k1q h ALA 24 N 0.16 1.30 -0.46 -0.75 0.00 -1.51 -1.49 119.26 116.51 3k1q h ALA 24 Ca 0.08 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3k1q h ALA 24 Cb 0.62 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 3k1q h ALA 24 CO -0.41 -0.39 -0.21 0.87 0.00 0.00 0.00 179.25 179.11 3k1q h LYS 25 N 0.30 -0.11 -0.89 0.00 1.57 -0.46 -3.03 116.57 113.95 3k1q h LYS 25 Ca 0.54 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.48 3k1q h LYS 25 Cb 1.04 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 3k1q h LYS 25 CO -0.58 -0.07 0.58 -0.44 -0.57 0.00 0.00 179.45 178.37 3k1q h ASP 26 N -0.11 0.58 -0.41 0.86 3.45 -0.11 -3.25 116.42 117.43 3k1q h ASP 26 Ca 0.22 0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.72 3k1q h ASP 26 Cb 0.45 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 3k1q h ASP 26 CO -0.53 0.28 0.25 0.00 -1.57 0.00 0.00 179.24 177.66 3k1q h ALA 27 N 1.61 1.64 0.34 3.45 0.00 -1.60 -1.51 119.26 123.19 3k1q h ALA 27 Ca 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3k1q h ALA 27 Cb 0.85 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3k1q h ALA 27 CO -0.21 0.31 -0.16 -1.35 0.00 0.00 0.00 179.25 177.84 3k1q h PRO 28 N 0.58 -0.43 -0.66 0.00 0.11 -1.75 -3.36 132.00 126.48 3k1q h PRO 28 Ca 0.15 0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.43 3k1q h PRO 28 Cb -0.01 0.10 -0.12 0.00 0.11 0.00 0.00 31.00 31.08 3k1q h PRO 28 CO -0.03 -0.26 -0.08 1.15 -0.21 0.00 0.00 178.00 178.58 3k1q h THR 29 N -0.50 0.39 -1.00 -1.15 2.02 -1.40 -2.37 112.91 108.88 3k1q h THR 29 Ca -0.05 -0.02 0.20 0.00 0.77 0.00 0.00 66.41 67.31 3k1q h THR 29 Cb 0.38 0.33 -0.11 0.00 -1.74 0.00 0.00 68.15 67.01 3k1q h THR 29 CO 0.08 0.01 0.61 0.71 0.37 0.00 0.00 175.52 177.30 3k1q h THR 30 N 0.06 0.68 -2.92 3.16 1.35 -1.45 -3.31 112.91 110.47 3k1q h THR 30 Ca 0.34 -0.25 -0.61 0.00 -0.55 0.00 0.00 66.41 65.34 3k1q h THR 30 Cb 0.55 -0.11 -0.40 0.00 -1.73 0.00 0.00 68.15 66.45 3k1q h THR 30 CO -0.63 0.13 -0.75 0.21 -0.25 0.00 0.00 175.52 174.23 3k1q s ASN 31 N -5.39 3.53 0.43 5.36 3.84 -0.89 -4.95 114.94 116.86 3k1q s ASN 31 Ca -0.11 -2.63 0.29 0.00 0.21 0.00 0.00 52.86 50.61 3k1q s ASN 31 Cb 0.25 -0.96 1.07 0.00 -0.55 0.00 0.00 41.25 41.06 3k1q s ASN 31 CO 0.80 -0.26 1.84 -1.28 -2.79 0.00 0.00 177.10 175.41 3k1q h SER 32 N 6.68 0.00 -3.43 -4.21 0.87 -1.66 -3.26 113.55 108.55 3k1q h SER 32 Ca 0.01 0.00 -0.76 0.00 -1.23 0.00 0.00 61.79 59.82 3k1q h SER 32 Cb 0.93 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.57 3k1q h SER 32 CO 0.46 0.00 0.21 -0.81 -0.53 0.00 0.00 176.83 176.16 3k1q n PRO 33 N -2.79 3.15 -1.54 2.24 -0.04 -1.26 -5.05 135.00 129.71 3k1q n PRO 33 Ca 0.02 -4.47 -0.24 0.00 -0.04 0.00 0.00 63.50 58.77 3k1q n PRO 33 Cb 0.33 -2.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.22 3k1q n PRO 33 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3k1q n PRO 34 N 2.46 0.60 -4.01 0.54 -0.02 -1.23 -4.92 135.00 128.42 3k1q n PRO 34 Ca 0.23 -0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 60.99 3k1q n PRO 34 Cb 0.38 -3.12 -0.16 0.00 -0.02 0.00 0.00 33.50 30.58 3k1q n PRO 34 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3k1q s SER 35 N 9.87 3.26 -0.10 2.55 0.01 -1.26 -4.55 113.70 123.48 3k1q s SER 35 Ca 1.03 -0.80 -0.05 0.00 1.31 0.00 0.00 55.95 57.44 3k1q s SER 35 Cb -0.32 -1.24 -0.02 0.00 0.21 0.00 0.00 66.02 64.65 3k1q s SER 35 CO 0.23 -0.12 -0.10 0.71 0.41 0.00 0.00 173.24 174.37 3k1q h THR 36 N 6.31 0.00 -3.73 1.44 1.35 -1.91 -3.48 112.91 112.89 3k1q h THR 36 Ca -0.31 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 3k1q h THR 36 Cb 1.11 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 3k1q h THR 36 CO 0.50 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.12 3k1q n THR 37 N -4.11 0.00 -3.84 6.82 -2.24 -1.26 -5.10 114.28 104.56 3k1q n THR 37 Ca -0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 3k1q n THR 37 Cb 0.15 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.25 3k1q n THR 37 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3k1q s SER 38 N -0.95 4.07 0.33 3.42 0.15 -1.26 -3.95 113.70 115.52 3k1q s SER 38 Ca 0.00 -3.09 0.09 0.00 0.70 0.00 0.00 55.95 53.65 3k1q s SER 38 Cb 0.00 -1.39 -0.05 0.00 -1.71 0.00 0.00 66.02 62.87 3k1q s SER 38 CO 0.00 -0.21 0.02 -2.16 1.20 0.00 0.00 173.24 172.10 3k1q s PRO 39 N -0.34 2.12 0.63 5.44 0.04 -1.26 -4.92 135.00 136.71 3k1q s PRO 39 Ca 0.20 -1.70 -0.17 0.00 0.04 0.00 0.00 61.00 59.37 3k1q s PRO 39 Cb -0.19 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 3k1q s PRO 39 CO -0.05 0.15 0.05 -1.71 0.04 0.00 0.00 177.00 175.49 3k1q n ASN 40 N -0.97 -2.93 -0.34 6.66 2.85 -1.26 -4.49 115.26 114.78 3k1q n ASN 40 Ca -0.04 0.60 0.26 0.00 -0.11 0.00 0.00 54.58 55.28 3k1q n ASN 40 Cb 0.62 -0.98 0.50 0.00 1.24 0.00 0.00 39.78 41.16 3k1q n ASN 40 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 3k1q h GLN 41 N -0.16 0.27 -0.19 1.20 7.50 -1.98 -1.06 115.11 120.69 3k1q h GLN 41 Ca -0.43 -0.02 -0.20 0.00 0.50 0.00 0.00 58.65 58.51 3k1q h GLN 41 Cb 1.40 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.87 3k1q h GLN 41 CO 0.41 0.18 -0.66 0.00 -1.50 0.00 0.00 178.83 177.25 3k1q h ALA 42 N 1.83 0.47 -0.52 3.87 0.00 -1.91 -2.49 119.26 120.51 3k1q h ALA 42 Ca 0.75 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3k1q h ALA 42 Cb 1.80 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 3k1q h ALA 42 CO -0.59 0.70 0.02 0.00 0.00 0.00 0.00 179.25 179.38 3k1q h ALA 43 N 0.73 0.70 -0.81 0.00 0.00 -1.60 -2.15 119.26 116.13 3k1q h ALA 43 Ca -0.02 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.68 3k1q h ALA 43 Cb 1.26 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3k1q h ALA 43 CO 0.13 0.50 0.53 0.00 0.00 0.00 0.00 179.25 180.41 3k1q h ALA 44 N 0.95 1.63 -0.76 0.00 0.00 -1.20 0.35 119.26 120.22 3k1q h ALA 44 Ca 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 44 Cb 0.50 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3k1q h ALA 44 CO 0.02 0.24 0.50 0.22 0.00 0.00 0.00 179.25 180.24 3k1q h ASP 45 N 0.87 0.86 -0.14 0.00 3.58 -0.96 0.31 116.42 120.95 3k1q h ASP 45 Ca 0.35 -0.02 -0.18 0.00 0.42 0.00 0.00 57.03 57.60 3k1q h ASP 45 Cb 0.26 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.11 3k1q h ASP 45 CO -0.13 0.62 -0.61 0.00 -2.88 0.00 0.00 179.24 176.23 3k1q h ALA 46 N 1.53 0.26 -0.07 -0.78 0.00 -0.38 -1.95 119.26 117.88 3k1q h ALA 46 Ca 0.28 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3k1q h ALA 46 Cb -0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3k1q h ALA 46 CO -0.07 0.52 -0.16 -0.97 0.00 0.00 0.00 179.25 178.57 3k1q h ASN 47 N 0.33 -0.49 -0.70 0.00 -0.73 -0.70 -1.17 115.58 112.12 3k1q h ASN 47 Ca -0.04 0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.17 3k1q h ASN 47 Cb 1.25 0.22 -0.03 0.00 0.27 0.00 0.00 38.32 40.03 3k1q h ASN 47 CO 0.13 -0.22 0.27 1.56 -0.37 0.00 0.00 177.43 178.80 3k1q h GLN 48 N -0.24 1.07 -0.73 6.67 7.50 -0.86 -1.45 115.11 127.08 3k1q h GLN 48 Ca 0.07 -0.20 0.14 0.00 0.50 0.00 0.00 58.65 59.17 3k1q h GLN 48 Cb 0.34 -0.17 -0.10 0.00 0.05 0.00 0.00 27.48 27.60 3k1q h GLN 48 CO -0.21 0.89 0.24 1.96 -1.50 0.00 0.00 178.83 180.22 3k1q h GLN 49 N 1.05 0.36 0.00 1.46 4.20 -0.88 0.17 115.11 121.46 3k1q h GLN 49 Ca 0.24 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 3k1q h GLN 49 Cb 0.23 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3k1q h GLN 49 CO -0.02 0.24 -0.32 1.96 -0.67 0.00 0.00 178.83 180.02 3k1q h GLN 50 N 0.37 0.00 0.02 1.46 7.50 -0.41 -0.76 115.11 123.29 3k1q h GLN 50 Ca 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.55 3k1q h GLN 50 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.16 3k1q h GLN 50 CO -0.43 0.32 -0.01 0.00 -1.50 0.00 0.00 178.83 177.20 3k1q h ALA 51 N 1.68 -0.03 -0.33 3.87 0.00 -0.24 -3.38 119.26 120.83 3k1q h ALA 51 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3k1q h ALA 51 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3k1q h ALA 51 CO 0.04 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.59 3k1q n GLY 52 N 1.10 -2.45 0.00 0.00 0.00 0.48 -5.05 105.19 99.26 3k1q n GLY 52 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3k1q n GLY 52 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3k1q n ILE 53 N -1.84 0.00 -3.88 -0.61 -6.64 -0.30 -5.09 119.36 101.01 3k1q n ILE 53 Ca 0.00 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.68 3k1q n ILE 53 Cb 0.00 0.00 -0.14 0.00 -1.44 0.00 0.00 39.64 38.06 3k1q n ILE 53 CO 0.00 0.00 0.00 0.68 -1.77 0.00 0.00 176.55 175.46 3k1q s VAL 54 N -0.46 1.88 -0.80 7.28 -7.23 -1.26 -4.03 120.40 115.79 3k1q s VAL 54 Ca 0.00 -2.43 -0.03 0.00 -1.81 0.00 0.00 61.98 57.71 3k1q s VAL 54 Cb 0.00 -2.36 0.18 0.00 0.56 0.00 0.00 36.38 34.76 3k1q s VAL 54 CO 0.00 -0.73 2.39 -1.54 -0.31 0.00 0.00 175.10 174.91 3k1q n SER 55 N 3.95 7.16 -4.38 4.85 3.41 -1.26 -4.90 113.62 122.45 3k1q n SER 55 Ca 0.04 -3.42 -0.43 0.00 -0.26 0.00 0.00 58.87 54.80 3k1q n SER 55 Cb 0.38 -1.21 -0.09 0.00 -0.26 0.00 0.00 64.21 63.03 3k1q n SER 55 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k1q s SER 56 N -0.22 6.00 -1.38 4.04 1.04 -1.26 -4.18 113.70 117.74 3k1q s SER 56 Ca 0.54 -1.21 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 3k1q s SER 56 Cb 0.34 -2.13 0.03 0.00 0.10 0.00 0.00 66.02 64.36 3k1q s SER 56 CO -0.24 -0.55 1.05 0.00 0.98 0.00 0.00 173.24 174.48 3k1q n GLN 57 N 5.12 -6.75 -1.90 4.02 1.13 -1.26 -4.97 117.38 112.77 3k1q n GLN 57 Ca -0.12 0.74 -0.42 0.00 -1.94 0.00 0.00 57.00 55.27 3k1q n GLN 57 Cb 0.45 -5.69 -0.03 0.00 0.11 0.00 0.00 30.24 25.07 3k1q n GLN 57 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3k1q s SER 58 N -3.59 6.54 0.05 1.08 1.04 -1.26 -4.97 113.70 112.59 3k1q s SER 58 Ca 0.46 2.70 -0.09 0.00 0.48 0.00 0.00 55.95 59.50 3k1q s SER 58 Cb -0.21 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.28 3k1q s SER 58 CO 0.77 -0.84 0.86 0.61 0.98 0.00 0.00 173.24 175.62 3k1q n GLY 59 N 3.36 -2.03 3.75 7.32 0.00 -1.26 -4.49 105.19 111.84 3k1q n GLY 59 Ca 0.12 0.59 -0.41 0.00 0.00 0.00 0.00 46.02 46.33 3k1q n GLY 59 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1q s PRO 60 N -4.02 4.36 -0.89 1.61 0.04 -1.26 -4.96 135.00 129.88 3k1q s PRO 60 Ca -0.04 2.17 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 3k1q s PRO 60 Cb 0.03 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.38 3k1q s PRO 60 CO 0.19 -0.25 2.23 0.09 0.04 0.00 0.00 177.00 179.30 3k1q n ASN 61 N 1.82 5.15 0.00 6.66 5.03 -1.26 -4.86 115.26 127.79 3k1q n ASN 61 Ca 0.04 -2.32 0.00 0.00 0.87 0.00 0.00 54.58 53.17 3k1q n ASN 61 Cb 0.42 -1.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.06 3k1q n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k1q n ALA 62 N 3.96 0.36 -0.13 5.41 0.00 -1.26 -4.53 120.51 124.32 3k1q n ALA 62 Ca 0.46 0.00 0.18 0.00 0.00 0.00 0.00 53.44 54.08 3k1q n ALA 62 Cb 0.19 -0.24 0.57 0.00 0.00 0.00 0.00 19.45 19.97 3k1q n ALA 62 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3k1q h VAL 63 N 0.00 0.75 -0.00 0.00 -1.51 -2.04 0.80 116.25 114.26 3k1q h VAL 63 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 3k1q h VAL 63 Cb 0.00 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 29.62 3k1q h VAL 63 CO 0.00 0.05 -0.16 0.61 -1.23 0.00 0.00 177.57 176.83 3k1q n GLY 64 N -1.57 -1.40 3.76 5.19 0.00 -1.26 -4.96 105.19 104.95 3k1q n GLY 64 Ca 0.14 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3k1q n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1q s ASP 65 N -2.98 7.07 0.10 1.61 1.11 0.27 -5.06 116.67 118.79 3k1q s ASP 65 Ca 0.14 2.33 0.05 0.00 0.18 0.00 0.00 52.55 55.24 3k1q s ASP 65 Cb 0.19 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.52 3k1q s ASP 65 CO 0.58 -0.29 -0.12 -0.44 1.18 0.00 0.00 175.17 176.08 3k1q s SER 66 N -0.89 1.65 -0.05 0.27 0.01 -1.26 -4.72 113.70 108.71 3k1q s SER 66 Ca 0.47 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 57.01 3k1q s SER 66 Cb -0.32 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 65.89 3k1q s SER 66 CO 0.42 -0.18 -0.11 0.00 0.41 0.00 0.00 173.24 173.78 3k1q s ALA 67 N -1.99 1.14 0.21 1.44 0.00 -1.25 -4.92 121.76 116.40 3k1q s ALA 67 Ca 0.04 -0.38 -0.32 0.00 0.00 0.00 0.00 51.96 51.30 3k1q s ALA 67 Cb -0.06 -0.49 -0.14 0.00 0.00 0.00 0.00 23.12 22.43 3k1q s ALA 67 CO 0.02 0.12 1.43 -2.30 0.00 0.00 0.00 175.76 175.03 3k1q n PRO 68 N 3.67 1.99 -3.93 0.00 -0.02 -1.26 -4.65 135.00 130.80 3k1q n PRO 68 Ca -0.22 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 61.87 3k1q n PRO 68 Cb 0.52 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 3k1q n PRO 68 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3k1q s SER 69 N 0.41 0.15 0.00 2.55 0.15 -1.26 -4.32 113.70 111.37 3k1q s SER 69 Ca 0.71 -0.40 0.07 0.00 0.70 0.00 0.00 55.95 57.03 3k1q s SER 69 Cb -0.68 0.17 0.33 0.00 -1.71 0.00 0.00 66.02 64.13 3k1q s SER 69 CO 0.47 -0.37 1.10 -1.20 1.20 0.00 0.00 173.24 174.43 3k1q n SER 70 N 1.35 0.00 -0.16 5.45 7.64 -1.25 -2.64 113.62 124.00 3k1q n SER 70 Ca -0.22 0.25 -0.08 0.00 1.01 0.00 0.00 58.87 59.82 3k1q n SER 70 Cb 0.56 -0.33 0.06 0.00 -1.01 0.00 0.00 64.21 63.49 3k1q n SER 70 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3k1q h SER 71 N 0.00 0.95 -3.21 6.43 4.64 -1.83 -3.39 113.55 117.14 3k1q h SER 71 Ca 0.00 -0.29 -0.65 0.00 -0.47 0.00 0.00 61.79 60.38 3k1q h SER 71 Cb 0.07 -0.26 -0.17 0.00 -0.31 0.00 0.00 62.40 61.74 3k1q h SER 71 CO 0.00 1.05 -0.78 0.68 -0.87 0.00 0.00 176.83 176.91 3k1q s VAL 72 N -4.87 2.73 0.18 0.95 -7.23 -1.08 -1.27 120.40 109.81 3k1q s VAL 72 Ca -0.11 -1.81 -0.00 0.00 -1.81 0.00 0.00 61.98 58.25 3k1q s VAL 72 Cb 0.13 -2.32 0.04 0.00 0.56 0.00 0.00 36.38 34.79 3k1q s VAL 72 CO 0.85 -0.08 0.24 -0.46 -0.31 0.00 0.00 175.10 175.34 3k1q n ASN 73 N 0.27 0.30 0.07 4.85 6.94 -0.96 -4.85 115.26 121.87 3k1q n ASN 73 Ca -0.12 -1.26 0.09 0.00 -0.02 0.00 0.00 54.58 53.27 3k1q n ASN 73 Cb 0.55 -0.16 0.40 0.00 -2.36 0.00 0.00 39.78 38.21 3k1q n ASN 73 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3k1q n ASN 74 N -3.00 0.35 -0.88 0.53 6.94 -1.26 -2.54 115.26 115.40 3k1q n ASN 74 Ca 0.04 0.59 0.09 0.00 -0.02 0.00 0.00 54.58 55.28 3k1q n ASN 74 Cb 0.14 -0.66 0.17 0.00 -2.36 0.00 0.00 39.78 37.07 3k1q n ASN 74 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3k1q n ASP 75 N -1.89 3.04 -1.32 0.53 8.00 -1.26 -4.98 116.55 118.67 3k1q n ASP 75 Ca 0.02 -1.89 -0.10 0.00 0.71 0.00 0.00 54.79 53.54 3k1q n ASP 75 Cb 0.18 -0.21 0.01 0.00 -0.02 0.00 0.00 41.12 41.08 3k1q n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1q n GLY 76 N 1.06 0.04 3.57 0.44 0.00 -1.05 -5.05 105.19 104.20 3k1q n GLY 76 Ca 0.15 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 3k1q n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k1q s ASP 77 N -2.71 4.56 -0.42 1.61 1.47 -1.26 -4.89 116.67 115.02 3k1q s ASP 77 Ca 0.07 -0.06 -0.28 0.00 1.18 0.00 0.00 52.55 53.45 3k1q s ASP 77 Cb -0.03 -1.11 0.00 0.00 -0.34 0.00 0.00 42.92 41.44 3k1q s ASP 77 CO 0.09 0.35 1.52 -0.63 0.68 0.00 0.00 175.17 177.17 3k1q s ILE 78 N -0.83 3.77 -0.86 2.11 1.09 -1.26 -2.27 121.20 122.96 3k1q s ILE 78 Ca 0.13 0.77 -0.25 0.00 -1.10 0.00 0.00 60.65 60.20 3k1q s ILE 78 Cb -0.11 -4.09 0.05 0.00 -1.06 0.00 0.00 42.46 37.24 3k1q s ILE 78 CO 0.02 -0.73 1.32 -0.63 -0.10 0.00 0.00 174.94 174.83 3k1q s ILE 79 N 5.96 3.89 0.08 2.92 1.01 -0.40 -4.81 121.20 129.86 3k1q s ILE 79 Ca 0.65 -0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.85 3k1q s ILE 79 Cb -0.15 -4.96 -0.12 0.00 0.01 0.00 0.00 42.46 37.24 3k1q s ILE 79 CO 0.32 -1.85 1.63 0.71 0.00 0.00 0.00 174.94 175.74 3k1q h THR 80 N 6.34 1.13 -3.13 2.92 1.35 -1.89 -3.44 112.91 116.19 3k1q h THR 80 Ca -0.06 -0.39 -0.19 0.00 -0.55 0.00 0.00 66.41 65.22 3k1q h THR 80 Cb 1.03 1.21 -0.28 0.00 -1.73 0.00 0.00 68.15 68.38 3k1q h THR 80 CO 1.33 0.12 -0.49 0.00 -0.25 0.00 0.00 175.52 176.23 3k1q s ARG 81 N -5.62 0.22 -0.26 4.72 1.70 -1.26 -5.09 118.95 113.36 3k1q s ARG 81 Ca -0.14 0.40 -0.22 0.00 -0.47 0.00 0.00 55.73 55.30 3k1q s ARG 81 Cb 0.06 -0.01 -0.10 0.00 -0.57 0.00 0.00 34.95 34.33 3k1q s ARG 81 CO 0.69 -0.10 1.09 -2.30 -1.08 0.00 0.00 175.30 173.60 3k1q n PRO 82 N 3.62 0.00 -0.27 3.89 -0.02 -1.26 -4.60 135.00 136.36 3k1q n PRO 82 Ca -0.19 0.00 0.32 0.00 -2.02 0.00 0.00 63.50 61.61 3k1q n PRO 82 Cb 0.56 -0.77 0.60 0.00 -0.02 0.00 0.00 33.50 33.87 3k1q n PRO 82 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3k1q h THR 83 N 3.56 0.11 -0.02 3.45 1.35 -1.96 0.25 112.91 119.65 3k1q h THR 83 Ca -0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3k1q h THR 83 Cb 0.72 0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.31 3k1q h THR 83 CO 0.56 0.00 0.01 0.77 -0.25 0.00 0.00 175.52 176.60 3k1q h SER 84 N 0.00 0.04 0.26 5.36 4.64 -2.00 0.41 113.55 122.26 3k1q h SER 84 Ca 0.53 -0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 61.57 3k1q h SER 84 Cb 2.69 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 64.77 3k1q h SER 84 CO -0.01 0.27 -0.18 -2.24 -0.87 0.00 0.00 176.83 173.81 3k1q h ASP 85 N -0.20 0.00 -0.19 4.97 -0.00 -0.83 -1.76 116.42 118.42 3k1q h ASP 85 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 56.95 3k1q h ASP 85 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.58 3k1q h ASP 85 CO 0.00 0.18 -0.22 0.28 -0.00 0.00 0.00 179.24 179.48 3k1q h SER 86 N 0.00 0.51 -0.74 4.15 0.02 -1.21 -2.11 113.55 114.17 3k1q h SER 86 Ca -0.00 -0.50 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 3k1q h SER 86 Cb 0.36 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 3k1q h SER 86 CO 0.02 0.91 0.28 0.16 -1.14 0.00 0.00 176.83 177.06 3k1q h ILE 87 N 0.13 1.25 -0.27 3.27 3.07 -0.64 0.37 117.51 124.69 3k1q h ILE 87 Ca 0.03 -0.82 -0.11 0.00 1.55 0.00 0.00 64.86 65.51 3k1q h ILE 87 Cb 0.78 0.40 -0.00 0.00 -0.27 0.00 0.00 36.82 37.72 3k1q h ILE 87 CO 0.05 0.33 -0.26 0.00 -1.05 0.00 0.00 178.15 177.22 3k1q h ALA 88 N 1.14 0.40 -0.34 0.16 0.00 -1.40 -0.52 119.26 118.69 3k1q h ALA 88 Ca 0.24 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3k1q h ALA 88 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3k1q h ALA 88 CO -0.02 0.39 -0.08 0.00 0.00 0.00 0.00 179.25 179.54 3k1q h ALA 89 N 0.70 1.22 -0.36 0.00 0.00 -1.02 -2.89 119.26 116.91 3k1q h ALA 89 Ca 0.04 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3k1q h ALA 89 Cb 0.83 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3k1q h ALA 89 CO 0.07 0.51 0.12 0.28 0.00 0.00 0.00 179.25 180.23 3k1q h VAL 90 N 0.53 0.90 -1.02 0.00 2.07 0.10 -2.43 116.25 116.41 3k1q h VAL 90 Ca 0.10 -0.09 0.24 0.00 0.82 0.00 0.00 66.70 67.77 3k1q h VAL 90 Cb 0.47 0.60 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 3k1q h VAL 90 CO 0.03 0.05 0.63 0.00 0.02 0.00 0.00 177.57 178.30 3k1q h ALA 91 N 1.23 1.99 0.00 1.67 0.00 -0.89 -1.51 119.26 121.75 3k1q h ALA 91 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 91 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3k1q h ALA 91 CO -0.17 -0.41 0.09 -0.97 0.00 0.00 0.00 179.25 177.79 3k1q h ASN 92 N 0.52 0.00 -0.90 0.00 -1.24 -1.38 -2.89 115.58 109.69 3k1q h ASN 92 Ca 0.61 0.00 0.24 0.00 0.71 0.00 0.00 56.30 57.85 3k1q h ASN 92 Cb 1.30 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 40.22 3k1q h ASN 92 CO -0.37 0.00 0.35 0.00 -1.29 0.00 0.00 177.43 176.12 3k1q h ALA 93 N 1.81 1.43 -0.15 1.57 0.00 -1.36 -3.27 119.26 119.29 3k1q h ALA 93 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 93 Cb 0.18 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3k1q h ALA 93 CO 0.00 -0.42 0.12 0.25 0.00 0.00 0.00 179.25 179.20 3k1q n THR 94 N -5.12 1.83 -4.00 0.00 -2.24 -1.09 -4.81 114.28 98.84 3k1q n THR 94 Ca 0.23 -0.61 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 3k1q n THR 94 Cb 0.71 -1.20 -0.15 0.00 -2.10 0.00 0.00 70.33 67.59 3k1q n THR 94 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3k1q s LYS 95 N -0.56 2.60 0.02 -0.78 3.01 -1.23 -5.11 119.74 117.69 3k1q s LYS 95 Ca 0.09 -1.12 -0.00 0.00 -1.01 0.00 0.00 55.97 53.93 3k1q s LYS 95 Cb 0.08 -2.95 0.00 0.00 -1.01 0.00 0.00 37.83 33.95 3k1q s LYS 95 CO 0.01 -0.47 0.02 -2.30 0.51 0.00 0.00 175.35 173.12 3k1q n PRO 96 N 4.59 -0.18 -2.40 -1.68 -0.02 -1.26 -5.00 135.00 129.05 3k1q n PRO 96 Ca -0.16 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 3k1q n PRO 96 Cb 0.45 -0.02 -0.02 0.00 -0.02 0.00 0.00 33.50 33.88 3k1q n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q s ALA 97 N -3.84 2.94 0.00 3.55 0.00 -1.26 -4.96 121.76 118.18 3k1q s ALA 97 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3k1q s ALA 97 Cb -0.00 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.10 3k1q s ALA 97 CO 0.01 -2.65 0.05 0.00 0.00 0.00 0.00 175.76 173.17 3k1q n ALA 98 N 9.10 0.00 -3.68 0.00 0.00 -1.26 -4.26 120.51 120.41 3k1q n ALA 98 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 3k1q n ALA 98 Cb 0.49 0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 3k1q n ALA 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k1q s VAL 99 N -0.29 1.66 -0.43 0.00 1.01 -1.26 -5.03 120.40 116.07 3k1q s VAL 99 Ca 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 61.98 58.60 3k1q s VAL 99 Cb 0.00 -2.12 0.09 0.00 0.00 0.00 0.00 36.38 34.35 3k1q s VAL 99 CO 0.00 -1.05 0.27 -0.69 0.00 0.00 0.00 175.10 173.62 3k1q s VAL 100 N -0.48 4.13 -0.19 2.92 1.01 -1.26 -5.08 120.40 121.44 3k1q s VAL 100 Ca 0.26 -1.52 -0.06 0.00 0.00 0.00 0.00 61.98 60.65 3k1q s VAL 100 Cb -0.07 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3k1q s VAL 100 CO -0.13 -0.56 0.03 -0.55 0.00 0.00 0.00 175.10 173.88 3k1q s SER 101 N 2.19 5.18 -0.08 3.32 0.15 -1.26 -5.03 113.70 118.17 3k1q s SER 101 Ca 0.04 -0.08 -0.06 0.00 0.70 0.00 0.00 55.95 56.54 3k1q s SER 101 Cb -0.24 -1.89 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 3k1q s SER 101 CO 0.01 0.11 -0.14 0.47 1.20 0.00 0.00 173.24 174.89 3k1q n ASP 102 N 3.96 1.00 -4.72 5.45 8.00 -1.26 -5.00 116.55 123.98 3k1q n ASP 102 Ca -0.17 0.16 -0.37 0.00 0.71 0.00 0.00 54.79 55.12 3k1q n ASP 102 Cb 0.52 -0.39 0.06 0.00 -0.02 0.00 0.00 41.12 41.30 3k1q n ASP 102 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3k1q n PRO 103 N -3.63 1.25 -2.04 -0.24 -0.04 -1.26 -4.99 135.00 124.06 3k1q n PRO 103 Ca -0.17 0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 63.35 3k1q n PRO 103 Cb 0.51 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 3k1q n PRO 103 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3k1q s GLN 104 N -3.19 4.23 0.32 0.54 2.00 -1.26 -5.06 119.66 117.24 3k1q s GLN 104 Ca 0.79 2.20 0.07 0.00 -2.00 0.00 0.00 55.36 56.42 3k1q s GLN 104 Cb -0.39 -3.53 -0.02 0.00 0.80 0.00 0.00 33.01 29.86 3k1q s GLN 104 CO 0.43 -0.66 0.37 0.45 -0.50 0.00 0.00 175.29 175.39 3k1q s SER 105 N 2.06 5.75 -0.44 6.67 0.15 -1.26 -5.10 113.70 121.54 3k1q s SER 105 Ca 0.70 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 57.11 3k1q s SER 105 Cb -0.37 -1.24 0.14 0.00 -1.71 0.00 0.00 66.02 62.83 3k1q s SER 105 CO 0.30 -0.33 0.24 -0.04 1.20 0.00 0.00 173.24 174.62 3k1q s MET 106 N -4.06 1.23 -0.41 5.44 1.00 -1.26 -5.05 119.30 116.19 3k1q s MET 106 Ca 0.41 -1.97 0.02 0.00 0.00 0.00 0.00 55.69 54.15 3k1q s MET 106 Cb -0.08 -2.24 0.14 0.00 0.00 0.00 0.00 34.83 32.65 3k1q s MET 106 CO 0.29 -1.17 0.24 0.15 0.00 0.00 0.00 175.02 174.52 3k1q s LYS 107 N 0.38 1.05 0.70 2.03 1.02 -1.26 -5.13 119.74 118.52 3k1q s LYS 107 Ca 0.18 -1.81 -0.12 0.00 0.02 0.00 0.00 55.97 54.24 3k1q s LYS 107 Cb -0.23 -1.97 0.16 0.00 -0.52 0.00 0.00 37.83 35.27 3k1q s LYS 107 CO -0.01 -1.19 0.92 1.33 -0.92 0.00 0.00 175.35 175.48 3k1q n VAL 108 N 3.64 0.00 -3.62 3.17 0.24 -1.26 -5.14 118.33 115.36 3k1q n VAL 108 Ca 0.11 -0.65 -0.15 0.00 -2.04 0.00 0.00 64.34 61.60 3k1q n VAL 108 Cb 0.36 -1.61 -0.07 0.00 -1.47 0.00 0.00 33.84 31.04 3k1q n VAL 108 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3k1q s THR 109 N -2.98 0.01 0.68 3.34 -1.32 -1.26 -5.16 115.64 108.95 3k1q s THR 109 Ca 0.52 -0.06 -0.17 0.00 -1.21 0.00 0.00 61.69 60.78 3k1q s THR 109 Cb -0.02 -0.89 -0.01 0.00 -1.51 0.00 0.00 72.50 70.08 3k1q s THR 109 CO 0.37 -0.03 1.06 -2.65 -2.21 0.00 0.00 174.62 171.16 3k1q n PRO 110 N 1.85 0.73 -1.62 7.08 -0.02 -1.26 -4.92 135.00 136.83 3k1q n PRO 110 Ca -0.17 0.30 -0.47 0.00 -2.02 0.00 0.00 63.50 61.14 3k1q n PRO 110 Cb 0.56 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 3k1q n PRO 110 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3k1q n ILE 111 N -2.23 0.49 -3.39 4.25 0.13 -1.26 -5.00 119.36 112.35 3k1q n ILE 111 Ca 0.14 -0.20 -0.44 0.00 -1.10 0.00 0.00 62.75 61.14 3k1q n ILE 111 Cb 0.49 -2.01 -0.07 0.00 -0.84 0.00 0.00 39.64 37.21 3k1q n ILE 111 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 3k1q s VAL 112 N 5.51 5.02 0.00 9.51 1.01 -1.26 -4.66 120.40 135.53 3k1q s VAL 112 Ca 0.97 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3k1q s VAL 112 Cb -0.63 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 31.63 3k1q s VAL 112 CO 0.47 -0.71 0.00 -3.20 0.00 0.00 0.00 175.10 171.66 3k1q n ASN 113 N 5.16 0.00 -4.64 3.32 2.85 -1.26 -5.12 115.26 115.57 3k1q n ASN 113 Ca -0.12 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 53.92 3k1q n ASN 113 Cb 0.42 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.41 3k1q n ASN 113 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 3k1q s PRO 114 N 0.00 3.99 -0.42 1.20 0.02 -1.26 -4.38 135.00 134.15 3k1q s PRO 114 Ca 0.00 1.85 -0.06 0.00 0.02 0.00 0.00 61.00 62.81 3k1q s PRO 114 Cb 0.00 -3.98 0.01 0.00 0.02 0.00 0.00 34.50 30.55 3k1q s PRO 114 CO 0.00 -1.06 0.27 -1.13 -0.33 0.00 0.00 177.00 174.76 3k1q n SER 115 N 7.73 -1.96 -1.11 2.53 3.41 -1.09 -4.36 113.62 118.77 3k1q n SER 115 Ca 0.18 -0.48 -0.03 0.00 -0.26 0.00 0.00 58.87 58.28 3k1q n SER 115 Cb 0.44 -0.68 0.06 0.00 -0.26 0.00 0.00 64.21 63.77 3k1q n SER 115 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k1q n SER 116 N -0.69 2.77 -0.07 4.04 7.64 -1.26 -0.69 113.62 125.36 3k1q n SER 116 Ca -0.11 -2.31 -0.22 0.00 1.01 0.00 0.00 58.87 57.24 3k1q n SER 116 Cb 0.28 -0.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.79 3k1q n SER 116 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3k1q n TYR 117 N 0.13 0.97 0.02 1.43 0.53 -1.26 -4.65 117.16 114.33 3k1q n TYR 117 Ca 0.11 0.32 0.04 0.00 -1.02 0.00 0.00 57.90 57.36 3k1q n TYR 117 Cb 0.66 -1.11 -0.06 0.00 -1.03 0.00 0.00 39.34 37.79 3k1q n TYR 117 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3k1q n VAL 118 N -4.05 0.00 -2.38 -0.72 0.31 -1.02 -5.06 118.33 105.41 3k1q n VAL 118 Ca -0.35 -0.20 -0.02 0.00 -0.01 0.00 0.00 64.34 63.76 3k1q n VAL 118 Cb 0.84 0.35 0.00 0.00 -0.91 0.00 0.00 33.84 34.12 3k1q n VAL 118 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k1q n ASN 120 N 0.15 -4.53 0.00 0.00 4.13 -1.23 -5.00 115.26 108.78 3k1q n ASN 120 Ca 0.03 0.79 0.00 0.00 1.68 0.00 0.00 54.58 57.09 3k1q n ASN 120 Cb 0.13 -3.41 0.00 0.00 -1.54 0.00 0.00 39.78 34.96 3k1q n ASN 120 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3k1q n VAL 121 N -1.49 0.00 -0.07 2.41 0.31 -1.26 -4.96 118.33 113.26 3k1q n VAL 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3k1q n VAL 121 Cb 0.10 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 3k1q n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k1q n ASN 123 N 1.89 0.00 -4.61 0.00 4.05 -1.26 -4.90 115.26 110.43 3k1q n ASN 123 Ca 0.00 0.00 -0.44 0.00 0.45 0.00 0.00 54.58 54.59 3k1q n ASN 123 Cb 0.08 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.08 3k1q n ASN 123 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3k1q n ALA 124 N 0.00 0.11 -1.61 5.20 0.00 -1.26 -4.77 120.51 118.18 3k1q n ALA 124 Ca 0.00 0.39 -0.50 0.00 0.00 0.00 0.00 53.44 53.33 3k1q n ALA 124 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 3k1q n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k1q n ARG 125 N 0.72 1.44 -4.46 0.00 3.00 -1.26 -4.84 116.66 111.26 3k1q n ARG 125 Ca 0.09 0.52 -0.25 0.00 -0.01 0.00 0.00 57.85 58.20 3k1q n ARG 125 Cb 0.33 -2.18 -0.10 0.00 0.00 0.00 0.00 32.46 30.51 3k1q n ARG 125 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3k1q s PHE 126 N 0.49 2.29 0.00 -1.55 0.40 -1.26 -5.12 117.98 113.23 3k1q s PHE 126 Ca 0.81 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.80 3k1q s PHE 126 Cb -0.86 -1.02 0.00 0.00 0.51 0.00 0.00 43.02 41.65 3k1q s PHE 126 CO 0.45 0.68 0.00 0.45 0.70 0.00 0.00 175.22 177.50 3k1q n SER 127 N -0.45 0.00 -4.11 1.36 2.88 -1.26 -4.51 113.62 107.53 3k1q n SER 127 Ca -0.06 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.11 3k1q n SER 127 Cb 0.59 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.09 3k1q n SER 127 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3k1q n THR 128 N 0.00 0.10 -0.24 2.46 -2.24 -1.26 -2.68 114.28 110.41 3k1q n THR 128 Ca 0.00 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 3k1q n THR 128 Cb 0.00 -0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.18 3k1q n THR 128 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3k1q h MET 129 N -0.80 1.11 -0.49 -0.78 0.00 -1.94 -2.47 114.93 109.55 3k1q h MET 129 Ca -0.43 -0.29 0.10 0.00 0.00 0.00 0.00 59.70 59.08 3k1q h MET 129 Cb 1.33 -0.14 -0.10 0.00 0.00 0.00 0.00 31.60 32.70 3k1q h MET 129 CO 0.29 1.01 -0.22 0.66 0.00 0.00 0.00 176.91 178.65 3k1q h SER 130 N 1.04 -0.75 -0.88 1.22 4.64 -2.00 -1.96 113.55 114.86 3k1q h SER 130 Ca 0.21 0.18 0.19 0.00 -0.47 0.00 0.00 61.79 61.90 3k1q h SER 130 Cb 0.42 0.41 -0.07 0.00 -0.31 0.00 0.00 62.40 62.86 3k1q h SER 130 CO 0.01 -0.24 0.58 0.00 -0.87 0.00 0.00 176.83 176.31 3k1q h ALA 131 N 1.24 2.16 -0.14 5.18 0.00 -1.78 -1.25 119.26 124.67 3k1q h ALA 131 Ca 0.23 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3k1q h ALA 131 Cb 0.47 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3k1q h ALA 131 CO -0.56 -0.43 -0.29 1.25 0.00 0.00 0.00 179.25 179.22 3k1q h LEU 132 N 0.43 -0.89 -1.14 0.00 5.85 -1.20 0.39 115.31 118.74 3k1q h LEU 132 Ca 0.46 0.14 0.14 0.00 0.84 0.00 0.00 57.88 59.46 3k1q h LEU 132 Cb 1.09 0.39 -0.08 0.00 0.37 0.00 0.00 40.66 42.43 3k1q h LEU 132 CO -0.18 -0.33 0.60 -1.28 -0.34 0.00 0.00 178.44 176.92 3k1q h SER 133 N -0.36 0.78 -0.09 1.25 0.87 -1.43 0.57 113.55 115.14 3k1q h SER 133 Ca 0.10 0.05 -0.23 0.00 -1.23 0.00 0.00 61.79 60.48 3k1q h SER 133 Cb 0.51 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3k1q h SER 133 CO -0.34 0.39 -0.84 -0.33 -0.53 0.00 0.00 176.83 175.17 3k1q h GLU 134 N 0.82 0.76 -0.20 2.24 3.07 -1.09 -2.11 114.58 118.06 3k1q h GLU 134 Ca 0.49 -0.66 -0.02 0.00 -0.50 0.00 0.00 59.36 58.66 3k1q h GLU 134 Cb 0.66 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 3k1q h GLU 134 CO -0.25 1.26 0.04 1.25 -1.40 0.00 0.00 179.01 179.91 3k1q h HIS 135 N 0.50 0.35 -1.09 4.33 2.76 0.28 -3.17 115.15 119.11 3k1q h HIS 135 Ca -0.07 -0.05 0.34 0.00 -2.20 0.00 0.00 60.37 58.39 3k1q h HIS 135 Cb 1.48 -0.10 -0.13 0.00 1.55 0.00 0.00 27.41 30.21 3k1q h HIS 135 CO 0.09 0.46 0.66 -0.07 -1.30 0.00 0.00 177.93 177.77 3k1q h LEU 136 N 0.14 0.44 -0.80 0.26 3.38 0.21 -1.39 115.31 117.54 3k1q h LEU 136 Ca 0.06 0.15 0.17 0.00 0.09 0.00 0.00 57.88 58.36 3k1q h LEU 136 Cb 0.29 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 3k1q h LEU 136 CO 0.00 -0.10 0.31 0.03 0.09 0.00 0.00 178.44 178.78 3k1q h ARG 137 N 0.29 0.40 0.00 1.13 3.08 -1.35 -0.42 114.38 117.50 3k1q h ARG 137 Ca 0.73 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.75 3k1q h ARG 137 Cb 1.85 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.81 3k1q h ARG 137 CO -0.49 0.26 0.00 -1.13 -1.07 0.00 0.00 179.97 177.54 3k1q n SER 138 N -5.04 0.62 -1.49 7.04 3.41 -0.52 -0.57 113.62 117.07 3k1q n SER 138 Ca 0.17 0.73 0.10 0.00 -0.26 0.00 0.00 58.87 59.61 3k1q n SER 138 Cb 0.50 -0.83 0.34 0.00 -0.26 0.00 0.00 64.21 63.95 3k1q n SER 138 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3k1q n ASP 139 N -2.27 4.39 0.00 4.04 9.92 -0.18 -5.04 116.55 127.41 3k1q n ASP 139 Ca -0.00 -2.31 0.00 0.00 -0.53 0.00 0.00 54.79 51.95 3k1q n ASP 139 Cb 0.11 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 3k1q n ASP 139 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3k1q n HIS 140 N 1.24 -0.37 0.00 1.24 8.25 0.26 -4.88 115.22 120.97 3k1q n HIS 140 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3k1q n HIS 140 Cb 0.79 0.12 0.00 0.00 1.12 0.00 0.00 29.99 32.02 3k1q n HIS 140 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k1q n ARG 141 N 0.00 0.00 -2.03 -0.41 1.74 -1.26 -4.38 116.66 110.32 3k1q n ARG 141 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 3k1q n ARG 141 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3k1q n ARG 141 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k1q s ASP 142 N 0.00 5.09 -1.45 0.55 3.68 -1.26 -3.74 116.67 119.54 3k1q s ASP 142 Ca 0.00 -0.67 -0.07 0.00 2.13 0.00 0.00 52.55 53.93 3k1q s ASP 142 Cb 0.00 -2.56 0.04 0.00 -1.45 0.00 0.00 42.92 38.95 3k1q s ASP 142 CO 0.00 -2.80 0.64 0.47 0.13 0.00 0.00 175.17 173.60 3k1q n ASP 143 N 14.19 -5.19 -1.47 -0.34 9.92 -1.26 -4.04 116.55 128.36 3k1q n ASP 143 Ca 0.41 -0.38 -0.02 0.00 -0.53 0.00 0.00 54.79 54.27 3k1q n ASP 143 Cb 0.47 -4.21 0.02 0.00 -0.64 0.00 0.00 41.12 36.76 3k1q n ASP 143 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3k1q n ALA 144 N -3.74 0.44 -3.01 2.24 0.00 -1.25 -5.02 120.51 110.19 3k1q n ALA 144 Ca -0.06 -0.38 -0.44 0.00 0.00 0.00 0.00 53.44 52.55 3k1q n ALA 144 Cb 0.58 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 3k1q n ALA 144 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k1q s SER 145 N -0.47 6.64 -0.94 0.00 0.01 -1.26 -4.48 113.70 113.19 3k1q s SER 145 Ca 0.02 -2.14 -0.27 0.00 1.31 0.00 0.00 55.95 54.87 3k1q s SER 145 Cb 0.11 -2.36 0.04 0.00 0.21 0.00 0.00 66.02 64.02 3k1q s SER 145 CO -0.03 -0.98 0.52 0.35 0.41 0.00 0.00 173.24 173.51 3k1q n THR 146 N 5.21 -1.99 -2.05 1.44 -2.24 -1.26 -4.75 114.28 108.65 3k1q n THR 146 Ca 0.21 -0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 61.26 3k1q n THR 146 Cb 0.48 -1.69 -0.06 0.00 -2.10 0.00 0.00 70.33 66.96 3k1q n THR 146 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k1q s LEU 147 N -6.94 3.07 0.00 3.22 1.43 -1.26 -4.62 118.68 113.57 3k1q s LEU 147 Ca 0.38 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 3k1q s LEU 147 Cb -0.21 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3k1q s LEU 147 CO 0.76 -3.03 0.00 0.18 0.23 0.00 0.00 176.35 174.49 3k1q n LEU 148 N 14.44 0.00 -4.58 1.79 4.32 -1.26 -4.75 117.00 126.96 3k1q n LEU 148 Ca 0.43 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 56.16 3k1q n LEU 148 Cb 0.47 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.16 3k1q n LEU 148 CO 0.65 0.00 -0.30 0.00 -1.22 0.00 0.00 177.39 176.52 3k1q s ALA 149 N 0.00 2.98 0.09 -1.18 0.00 -1.26 -5.12 121.76 117.27 3k1q s ALA 149 Ca 0.00 -2.24 -0.23 0.00 0.00 0.00 0.00 51.96 49.49 3k1q s ALA 149 Cb 0.00 0.25 0.06 0.00 0.00 0.00 0.00 23.12 23.43 3k1q s ALA 149 CO 0.00 -0.14 0.56 -0.08 0.00 0.00 0.00 175.76 176.10 3k1q s THR 150 N -2.82 0.02 -1.40 0.00 -1.32 -1.26 -4.96 115.64 103.89 3k1q s THR 150 Ca 0.35 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 3k1q s THR 150 Cb 0.09 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 3k1q s THR 150 CO 0.17 -0.08 0.27 -2.65 -2.21 0.00 0.00 174.62 170.12 3k1q n PRO 151 N 0.08 0.00 0.00 7.08 -0.02 -1.26 -4.88 135.00 135.99 3k1q n PRO 151 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3k1q n PRO 151 Cb 0.62 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3k1q n PRO 151 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3k1q n MET 152 N -0.74 0.00 -3.08 -0.52 2.81 -1.26 -4.51 117.12 109.81 3k1q n MET 152 Ca 0.00 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.45 3k1q n MET 152 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3k1q n MET 152 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3k1q s ILE 153 N 0.00 5.33 0.44 2.02 -1.09 -1.26 -4.87 121.20 121.78 3k1q s ILE 153 Ca 0.00 -2.78 -0.22 0.00 -2.23 0.00 0.00 60.65 55.42 3k1q s ILE 153 Cb 0.00 -4.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.01 3k1q s ILE 153 CO 0.00 -1.45 1.03 0.54 -1.23 0.00 0.00 174.94 173.83 3k1q s ASN 154 N 2.41 6.58 1.19 3.58 2.20 -1.26 -5.08 114.94 124.55 3k1q s ASN 154 Ca 0.37 1.94 -0.20 0.00 -0.94 0.00 0.00 52.86 54.03 3k1q s ASN 154 Cb -0.06 -2.57 0.29 0.00 -2.00 0.00 0.00 41.25 36.92 3k1q s ASN 154 CO -0.04 -0.62 1.15 0.21 -2.94 0.00 0.00 177.10 174.87 3k1q s ASN 155 N -1.85 1.01 0.00 3.54 3.84 -1.26 -4.39 114.94 115.83 3k1q s ASN 155 Ca 0.63 0.49 0.00 0.00 0.21 0.00 0.00 52.86 54.19 3k1q s ASN 155 Cb -0.18 -0.64 0.00 0.00 -0.55 0.00 0.00 41.25 39.89 3k1q s ASN 155 CO 0.22 -4.05 0.00 0.00 -2.79 0.00 0.00 177.10 170.47 3k1q n ALA 156 N -4.69 0.00 0.00 1.71 0.00 -1.25 -4.82 120.51 111.45 3k1q n ALA 156 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3k1q n ALA 156 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3k1q n ALA 156 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3k1q n ILE 157 N 0.00 0.00 -4.56 0.00 -0.00 -1.26 -3.31 119.36 110.23 3k1q n ILE 157 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.42 3k1q n ILE 157 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 39.52 3k1q n ILE 157 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 3k1q s ARG 158 N 0.00 3.35 -0.18 0.38 0.52 -1.26 -0.87 118.95 120.89 3k1q s ARG 158 Ca 0.00 -0.57 -0.04 0.00 -0.52 0.00 0.00 55.73 54.60 3k1q s ARG 158 Cb 0.00 -2.75 0.06 0.00 0.52 0.00 0.00 34.95 32.78 3k1q s ARG 158 CO 0.00 0.35 0.06 0.45 0.02 0.00 0.00 175.30 176.18 3k1q s SER 159 N 0.04 2.63 -0.67 0.23 0.15 0.10 -2.52 113.70 113.67 3k1q s SER 159 Ca -0.01 -0.71 -0.26 0.00 0.70 0.00 0.00 55.95 55.67 3k1q s SER 159 Cb -0.14 -0.45 0.04 0.00 -1.71 0.00 0.00 66.02 63.77 3k1q s SER 159 CO 0.03 -0.32 1.14 0.12 1.20 0.00 0.00 173.24 175.41 3k1q s PHE 160 N 1.97 2.50 0.06 3.44 5.36 0.34 -3.28 117.98 128.38 3k1q s PHE 160 Ca 0.00 -0.11 0.04 0.00 -0.96 0.00 0.00 56.93 55.90 3k1q s PHE 160 Cb -0.16 -4.45 -0.04 0.00 -0.34 0.00 0.00 43.02 38.03 3k1q s PHE 160 CO -0.08 -1.79 -0.01 -0.51 -1.46 0.00 0.00 175.22 171.37 3k1q s LEU 161 N 4.93 3.45 0.00 6.12 1.43 -0.08 -1.41 118.68 133.12 3k1q s LEU 161 Ca 0.32 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 3k1q s LEU 161 Cb -0.11 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3k1q s LEU 161 CO 0.16 0.21 0.00 1.07 0.23 0.00 0.00 176.35 178.02 3k1q n THR 162 N 0.86 0.00 -0.36 5.49 5.66 -0.33 -0.49 114.28 125.12 3k1q n THR 162 Ca -0.12 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.90 3k1q n THR 162 Cb 0.52 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.48 3k1q n THR 162 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k1q h ALA 163 N 0.00 1.40 0.00 1.79 0.00 -1.86 -0.73 119.26 119.87 3k1q h ALA 163 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k1q h ALA 163 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3k1q h ALA 163 CO 0.00 0.46 0.00 0.11 0.00 0.00 0.00 179.25 179.82 3k1q h TRP 164 N 1.18 0.00 -1.25 0.00 0.09 -1.96 -3.44 115.95 110.56 3k1q h TRP 164 Ca 0.42 0.00 0.03 0.00 0.09 0.00 0.00 58.89 59.43 3k1q h TRP 164 Cb 0.13 0.00 -0.23 0.00 0.08 0.00 0.00 29.16 29.14 3k1q h TRP 164 CO -0.00 0.00 -0.32 0.16 0.09 0.00 0.00 178.44 178.37 3k1q s ASP 165 N -6.15 -0.98 -0.53 0.11 1.47 -0.28 -5.11 116.67 105.20 3k1q s ASP 165 Ca 0.06 0.73 -0.16 0.00 1.18 0.00 0.00 52.55 54.37 3k1q s ASP 165 Cb 0.05 1.91 0.12 0.00 -0.34 0.00 0.00 42.92 44.67 3k1q s ASP 165 CO 0.66 -0.27 0.48 -1.81 0.68 0.00 0.00 175.17 174.91 3k1q s ASP 166 N 2.78 6.17 0.00 2.11 1.01 -1.21 -1.18 116.67 126.35 3k1q s ASP 166 Ca 0.18 -1.75 0.01 0.00 0.71 0.00 0.00 52.55 51.70 3k1q s ASP 166 Cb -0.15 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 3k1q s ASP 166 CO -0.20 -0.83 -0.03 0.27 0.21 0.00 0.00 175.17 174.59 3k1q s ILE 167 N 1.59 0.25 0.20 0.77 -4.36 -0.50 -5.03 121.20 114.12 3k1q s ILE 167 Ca 0.03 -0.26 0.09 0.00 -0.26 0.00 0.00 60.65 60.25 3k1q s ILE 167 Cb -0.29 -0.24 -0.04 0.00 1.25 0.00 0.00 42.46 43.13 3k1q s ILE 167 CO 0.03 -0.01 -0.19 0.00 0.24 0.00 0.00 174.94 175.01 3k1q s ARG 168 N -0.30 1.40 0.00 0.37 3.03 -1.26 -0.50 118.95 121.68 3k1q s ARG 168 Ca -0.01 -1.53 0.00 0.00 2.03 0.00 0.00 55.73 56.22 3k1q s ARG 168 Cb -0.03 -1.45 0.00 0.00 -1.03 0.00 0.00 34.95 32.44 3k1q s ARG 168 CO -0.00 0.29 0.00 0.44 -1.13 0.00 0.00 175.30 174.89 3k1q n ILE 169 N -0.00 0.00 -3.06 4.99 -6.64 -1.05 -4.99 119.36 108.61 3k1q n ILE 169 Ca -0.11 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.87 3k1q n ILE 169 Cb 0.58 -0.74 0.00 0.00 -1.44 0.00 0.00 39.64 38.04 3k1q n ILE 169 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3k1q n LEU 170 N 0.00 0.00 -4.73 7.28 -0.00 -1.21 -3.96 117.00 114.38 3k1q n LEU 170 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 3k1q n LEU 170 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.49 3k1q n LEU 170 CO 0.00 0.00 0.92 -0.94 -0.00 0.00 0.00 177.39 177.37 3k1q s SER 171 N 0.68 4.67 0.00 1.45 1.04 -1.26 -4.67 113.70 115.61 3k1q s SER 171 Ca 0.00 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.09 3k1q s SER 171 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 3k1q s SER 171 CO 0.00 -1.96 0.45 -2.65 0.98 0.00 0.00 173.24 170.06 3k1q n PRO 172 N -1.79 0.60 -3.81 4.02 -0.02 -1.26 -4.67 135.00 128.06 3k1q n PRO 172 Ca 0.15 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 3k1q n PRO 172 Cb 0.48 -1.25 -0.13 0.00 -0.02 0.00 0.00 33.50 32.58 3k1q n PRO 172 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3k1q s ASP 173 N 0.33 4.95 -1.01 2.55 3.84 -1.26 -4.68 116.67 121.39 3k1q s ASP 173 Ca 0.00 -0.84 -0.16 0.00 -0.00 0.00 0.00 52.55 51.55 3k1q s ASP 173 Cb 0.00 -1.82 0.17 0.00 -1.38 0.00 0.00 42.92 39.89 3k1q s ASP 173 CO 0.00 -0.20 1.16 -0.69 -0.00 0.00 0.00 175.17 175.44 3k1q s VAL 174 N 1.43 5.06 0.54 2.11 1.01 -1.26 -4.88 120.40 124.41 3k1q s VAL 174 Ca 0.01 -2.18 0.20 0.00 0.00 0.00 0.00 61.98 60.01 3k1q s VAL 174 Cb -0.18 -4.75 0.30 0.00 0.00 0.00 0.00 36.38 31.75 3k1q s VAL 174 CO 0.01 -1.44 2.16 0.77 0.00 0.00 0.00 175.10 176.60 3k1q h SER 175 N 8.01 0.00 -0.54 3.32 4.64 -1.96 -3.20 113.55 123.82 3k1q h SER 175 Ca 0.20 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.19 3k1q h SER 175 Cb 0.97 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.93 3k1q h SER 175 CO 1.08 0.00 0.31 -1.54 -0.87 0.00 0.00 176.83 175.82 3k1q n SER 176 N -4.35 6.28 -3.97 4.97 3.41 -1.26 -4.79 113.62 113.90 3k1q n SER 176 Ca -0.02 -3.00 -0.43 0.00 -0.26 0.00 0.00 58.87 55.17 3k1q n SER 176 Cb 0.13 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3k1q n SER 176 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3k1q n LYS 177 N 0.74 3.41 -3.78 4.33 5.02 -1.21 -4.76 118.16 121.91 3k1q n LYS 177 Ca 0.33 -3.37 -0.30 0.00 -2.02 0.00 0.00 58.31 52.94 3k1q n LYS 177 Cb 0.59 -3.05 -0.14 0.00 -0.02 0.00 0.00 35.03 32.41 3k1q n LYS 177 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3k1q s SER 178 N 1.82 3.94 -1.91 4.39 1.04 -1.26 -4.88 113.70 116.83 3k1q s SER 178 Ca 0.42 -2.39 0.00 0.00 0.48 0.00 0.00 55.95 54.47 3k1q s SER 178 Cb 0.08 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 65.07 3k1q s SER 178 CO -0.01 -0.31 0.00 0.18 0.98 0.00 0.00 173.24 174.08 3k1q n LEU 179 N 3.88 -1.60 -4.65 2.42 4.77 -1.26 -4.92 117.00 115.64 3k1q n LEU 179 Ca 0.05 0.29 -0.44 0.00 -0.03 0.00 0.00 56.01 55.87 3k1q n LEU 179 Cb 0.37 -2.77 -0.02 0.00 -2.33 0.00 0.00 43.42 38.67 3k1q n LEU 179 CO 0.22 -0.68 0.81 -1.54 -1.33 0.00 0.00 177.39 174.87 3k1q n SER 180 N -1.55 2.17 -0.36 -1.43 3.41 -1.26 -4.97 113.62 109.63 3k1q n SER 180 Ca -0.21 1.17 -0.11 0.00 -0.26 0.00 0.00 58.87 59.46 3k1q n SER 180 Cb 0.66 -1.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.13 3k1q n SER 180 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q h ALA 181 N 2.91 -0.58 -0.07 7.33 0.00 -1.99 -3.25 119.26 123.61 3k1q h ALA 181 Ca -0.43 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3k1q h ALA 181 Cb 1.30 1.32 -0.00 0.00 0.00 0.00 0.00 17.79 20.42 3k1q h ALA 181 CO 0.66 -0.98 0.15 2.48 0.00 0.00 0.00 179.25 181.56 3k1q n TYR 182 N -5.28 0.77 -1.83 0.00 4.11 -1.26 -4.92 117.16 108.75 3k1q n TYR 182 Ca 0.01 -0.13 -0.41 0.00 -0.00 0.00 0.00 57.90 57.36 3k1q n TYR 182 Cb 0.28 -2.31 -0.01 0.00 -0.00 0.00 0.00 39.34 37.30 3k1q n TYR 182 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3k1q s LEU 183 N 14.95 4.34 0.00 -3.48 1.43 -1.23 -4.56 118.68 130.14 3k1q s LEU 183 Ca 0.70 2.97 0.00 0.00 -1.03 0.00 0.00 54.13 56.77 3k1q s LEU 183 Cb -0.05 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.52 3k1q s LEU 183 CO 0.16 -0.86 0.00 0.47 0.23 0.00 0.00 176.35 176.36 3k1q n ASP 184 N 1.24 0.00 -3.87 2.29 8.00 -1.26 -4.64 116.55 118.31 3k1q n ASP 184 Ca 0.04 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 3k1q n ASP 184 Cb 0.39 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.32 3k1q n ASP 184 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3k1q s SER 185 N -4.00 2.66 -0.00 -2.24 0.15 -1.26 -4.89 113.70 104.12 3k1q s SER 185 Ca 0.00 -0.58 0.06 0.00 0.70 0.00 0.00 55.95 56.12 3k1q s SER 185 Cb 0.00 -0.85 -0.07 0.00 -1.71 0.00 0.00 66.02 63.39 3k1q s SER 185 CO 0.00 -0.18 0.21 0.00 1.20 0.00 0.00 173.24 174.47 3k1q n ALA 186 N 4.91 2.60 -2.48 5.45 0.00 -1.26 -5.08 120.51 124.66 3k1q n ALA 186 Ca -0.11 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 3k1q n ALA 186 Cb 0.48 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 3k1q n ALA 186 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k1q s VAL 187 N -1.77 4.41 -1.19 0.00 1.01 -1.26 -4.92 120.40 116.67 3k1q s VAL 187 Ca 0.01 1.79 -0.21 0.00 0.00 0.00 0.00 61.98 63.57 3k1q s VAL 187 Cb 0.04 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 3k1q s VAL 187 CO 0.24 0.17 1.89 0.00 0.00 0.00 0.00 175.10 177.40 3k1q n ALA 188 N 3.60 2.61 -1.51 5.51 0.00 -1.26 -4.91 120.51 124.55 3k1q n ALA 188 Ca 0.06 -3.32 -0.13 0.00 0.00 0.00 0.00 53.44 50.05 3k1q n ALA 188 Cb 0.49 -3.53 -0.10 0.00 0.00 0.00 0.00 19.45 16.30 3k1q n ALA 188 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k1q n ASN 189 N 11.67 0.94 -4.75 0.00 4.05 -1.26 -4.78 115.26 121.12 3k1q n ASN 189 Ca 0.47 -1.72 -0.39 0.00 0.45 0.00 0.00 54.58 53.39 3k1q n ASN 189 Cb 0.45 -1.47 -0.05 0.00 1.23 0.00 0.00 39.78 39.94 3k1q n ASN 189 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3k1q s GLY 190 N 7.92 2.58 0.12 8.20 0.00 -1.26 -4.82 107.32 120.05 3k1q s GLY 190 Ca 0.86 0.01 -0.31 0.00 0.00 0.00 0.00 44.72 45.28 3k1q s GLY 190 CO 0.17 0.85 1.57 2.56 0.00 0.00 0.00 173.10 178.25 3k1q s PRO 191 N 0.16 4.22 -0.87 2.90 0.04 -1.26 -4.94 135.00 135.26 3k1q s PRO 191 Ca 0.32 2.31 -0.22 0.00 0.04 0.00 0.00 61.00 63.45 3k1q s PRO 191 Cb -0.18 -3.32 0.08 0.00 0.04 0.00 0.00 34.50 31.12 3k1q s PRO 191 CO 0.16 -0.63 1.21 -1.21 0.04 0.00 0.00 177.00 176.57 3k1q s GLU 192 N 1.68 3.43 0.28 4.56 0.41 -1.25 -4.81 118.70 122.99 3k1q s GLU 192 Ca 0.71 -1.14 0.20 0.00 -0.41 0.00 0.00 54.97 54.33 3k1q s GLU 192 Cb -0.41 -4.79 1.05 0.00 -1.78 0.00 0.00 34.13 28.20 3k1q s GLU 192 CO 0.31 -1.97 1.63 1.28 -0.49 0.00 0.00 175.26 176.02 3k1q n LEU 193 N 7.93 0.54 -4.26 1.80 4.77 -1.26 -4.17 117.00 122.35 3k1q n LEU 193 Ca 0.17 0.72 -0.43 0.00 -0.03 0.00 0.00 56.01 56.44 3k1q n LEU 193 Cb 0.49 -0.76 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 3k1q n LEU 193 CO 0.61 -0.84 0.18 -0.63 -1.33 0.00 0.00 177.39 175.38 3k1q s ILE 194 N -3.46 4.85 -0.37 -0.08 -1.09 -1.26 -4.93 121.20 114.85 3k1q s ILE 194 Ca -0.01 -2.17 0.04 0.00 -2.23 0.00 0.00 60.65 56.28 3k1q s ILE 194 Cb 0.06 -4.09 0.11 0.00 -1.58 0.00 0.00 42.46 36.96 3k1q s ILE 194 CO 0.22 -0.90 0.10 -0.63 -1.23 0.00 0.00 174.94 172.49 3k1q s ILE 195 N 0.75 2.24 0.27 2.92 1.09 -1.26 -4.87 121.20 122.35 3k1q s ILE 195 Ca 0.11 -2.48 -0.29 0.00 -1.10 0.00 0.00 60.65 56.89 3k1q s ILE 195 Cb -0.20 -2.64 -0.09 0.00 -1.06 0.00 0.00 42.46 38.46 3k1q s ILE 195 CO -0.03 -0.65 1.18 -1.61 -0.10 0.00 0.00 174.94 173.73 3k1q s GLU 196 N 0.71 4.53 -0.21 2.79 8.01 -1.26 -1.01 118.70 132.26 3k1q s GLU 196 Ca 0.12 1.93 -0.04 0.00 0.01 0.00 0.00 54.97 56.99 3k1q s GLU 196 Cb -0.20 -3.17 0.08 0.00 -4.31 0.00 0.00 34.13 26.53 3k1q s GLU 196 CO -0.07 0.04 0.13 0.34 0.01 0.00 0.00 175.26 175.71 3k1q s ASP 197 N -0.56 2.44 0.56 -0.19 2.15 -0.86 -1.94 116.67 118.28 3k1q s ASP 197 Ca 0.47 -0.71 -0.16 0.00 0.43 0.00 0.00 52.55 52.58 3k1q s ASP 197 Cb -0.34 -0.14 -0.06 0.00 -0.30 0.00 0.00 42.92 42.08 3k1q s ASP 197 CO 0.43 -0.37 1.02 0.42 -0.17 0.00 0.00 175.17 176.50 3k1q s THR 198 N 2.17 4.19 0.00 1.71 -4.23 -1.25 -0.59 115.64 117.64 3k1q s THR 198 Ca 0.05 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 3k1q s THR 198 Cb -0.16 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.12 3k1q s THR 198 CO -0.17 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 173.90 3k1q n GLY 199 N -1.35 0.16 3.03 3.99 0.00 -1.25 -2.79 105.19 106.99 3k1q n GLY 199 Ca 0.08 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 43.96 3k1q n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1q s LEU 200 N 0.00 1.65 -0.84 0.99 1.43 -1.20 -4.82 118.68 115.88 3k1q s LEU 200 Ca 0.00 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 3k1q s LEU 200 Cb 0.00 -0.97 -0.18 0.00 0.03 0.00 0.00 46.19 45.07 3k1q s LEU 200 CO 0.00 0.02 2.27 0.00 0.23 0.00 0.00 176.35 178.86 3k1q s THR 202 N 12.30 0.67 -0.12 0.00 -4.23 -1.26 -2.44 115.64 120.56 3k1q s THR 202 Ca 0.94 -0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 60.86 3k1q s THR 202 Cb -0.23 -0.60 -0.07 0.00 1.34 0.00 0.00 72.50 72.94 3k1q s THR 202 CO 0.17 0.04 -0.13 -1.20 -0.54 0.00 0.00 174.62 172.97 3k1q n SER 203 N 2.47 2.33 -4.05 3.99 7.64 -1.26 -0.53 113.62 124.20 3k1q n SER 203 Ca -0.16 0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.51 3k1q n SER 203 Cb 0.56 -0.25 -0.16 0.00 -1.01 0.00 0.00 64.21 63.35 3k1q n SER 203 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3k1q s PHE 204 N -2.24 1.24 -0.08 1.43 0.40 -1.25 -0.03 117.98 117.45 3k1q s PHE 204 Ca -0.17 -0.33 -0.18 0.00 -0.60 0.00 0.00 56.93 55.65 3k1q s PHE 204 Cb 0.05 -0.86 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 3k1q s PHE 204 CO 0.26 -0.13 0.49 1.41 0.70 0.00 0.00 175.22 177.95 3k1q s MET 205 N 0.16 4.27 -0.90 0.44 1.75 0.14 -4.85 119.30 120.31 3k1q s MET 205 Ca -0.04 0.50 -0.24 0.00 -1.25 0.00 0.00 55.69 54.66 3k1q s MET 205 Cb -0.10 -3.38 0.01 0.00 2.84 0.00 0.00 34.83 34.20 3k1q s MET 205 CO 0.01 0.28 1.62 -0.51 -0.65 0.00 0.00 175.02 175.77 3k1q s LEU 206 N 0.19 3.33 -0.16 4.11 1.43 -1.26 -0.98 118.68 125.34 3k1q s LEU 206 Ca 0.27 -0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 3k1q s LEU 206 Cb -0.16 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 3k1q s LEU 206 CO 0.12 -2.02 0.02 -0.22 0.23 0.00 0.00 176.35 174.48 3k1q s LEU 207 N 7.04 3.61 -1.19 1.79 0.20 -0.45 -4.90 118.68 124.79 3k1q s LEU 207 Ca 0.54 0.03 -0.13 0.00 0.69 0.00 0.00 54.13 55.26 3k1q s LEU 207 Cb -0.05 -1.89 0.20 0.00 -0.43 0.00 0.00 46.19 44.03 3k1q s LEU 207 CO -0.00 0.21 1.36 -0.62 -0.29 0.00 0.00 176.35 177.01 3k1q s ASP 208 N 0.14 7.13 0.08 3.68 3.68 -1.26 -0.12 116.67 130.00 3k1q s ASP 208 Ca 0.02 -3.14 -0.27 0.00 2.13 0.00 0.00 52.55 51.29 3k1q s ASP 208 Cb -0.13 -2.36 -0.16 0.00 -1.45 0.00 0.00 42.92 38.83 3k1q s ASP 208 CO 0.01 -0.64 1.69 -1.13 0.13 0.00 0.00 175.17 175.23 3k1q h ASN 209 N 7.04 -0.37 -3.88 -0.34 -0.00 -1.62 -3.39 115.58 113.03 3k1q h ASN 209 Ca 0.28 0.02 -0.65 0.00 -0.00 0.00 0.00 56.30 55.95 3k1q h ASN 209 Cb 0.87 0.10 -0.40 0.00 -0.00 0.00 0.00 38.32 38.89 3k1q h ASN 209 CO 1.19 -0.25 -0.69 -0.63 -0.00 0.00 0.00 177.43 177.04 3k1q s ILE 210 N -6.13 2.28 0.97 2.57 -1.09 0.18 -4.96 121.20 115.02 3k1q s ILE 210 Ca -0.15 -2.62 -0.11 0.00 -2.23 0.00 0.00 60.65 55.54 3k1q s ILE 210 Cb 0.05 -2.65 0.17 0.00 -1.58 0.00 0.00 42.46 38.46 3k1q s ILE 210 CO 0.64 -0.68 1.10 -2.65 -1.23 0.00 0.00 174.94 172.13 3k1q n PRO 211 N 3.89 -0.85 -2.56 2.79 -0.02 -1.26 -0.13 135.00 136.86 3k1q n PRO 211 Ca 0.04 -0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 60.91 3k1q n PRO 211 Cb 0.39 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3k1q n PRO 211 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3k1q s SER 212 N -2.57 6.39 0.00 2.55 0.01 -1.17 -3.60 113.70 115.31 3k1q s SER 212 Ca 0.67 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.98 3k1q s SER 212 Cb -0.23 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.44 3k1q s SER 212 CO 0.60 -1.55 0.15 0.00 0.41 0.00 0.00 173.24 172.85 3k1q n ALA 213 N 8.65 0.66 -1.99 1.44 0.00 -1.26 -4.62 120.51 123.39 3k1q n ALA 213 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 3k1q n ALA 213 Cb 0.49 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3k1q n ALA 213 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3k1q n HIS 214 N 1.97 -2.62 -4.31 0.00 -0.00 -1.26 -5.08 115.22 103.92 3k1q n HIS 214 Ca 0.00 1.54 -0.23 0.00 0.46 0.00 0.00 57.72 59.49 3k1q n HIS 214 Cb 0.00 -2.94 -0.13 0.00 -0.12 0.00 0.00 29.99 26.80 3k1q n HIS 214 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 3k1q s LEU 215 N -0.36 2.27 -0.11 0.27 2.34 -1.26 -5.14 118.68 116.70 3k1q s LEU 215 Ca -0.11 -0.64 -0.27 0.00 0.06 0.00 0.00 54.13 53.17 3k1q s LEU 215 Cb 0.01 -0.81 -0.02 0.00 -0.56 0.00 0.00 46.19 44.81 3k1q s LEU 215 CO 0.29 0.04 0.88 0.42 -1.06 0.00 0.00 176.35 176.92 3k1q s THR 216 N -1.12 4.88 0.10 5.48 -4.23 -1.26 -5.08 115.64 114.40 3k1q s THR 216 Ca 0.05 1.78 0.05 0.00 -1.18 0.00 0.00 61.69 62.38 3k1q s THR 216 Cb -0.10 -4.20 -0.03 0.00 1.34 0.00 0.00 72.50 69.51 3k1q s THR 216 CO 0.03 0.08 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.52 3k1q s LYS 217 N 1.68 0.90 0.00 3.99 -0.14 -1.26 -5.15 119.74 119.76 3k1q s LYS 217 Ca 0.43 -1.10 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 3k1q s LYS 217 Cb -0.18 -0.80 0.00 0.00 -1.68 0.00 0.00 37.83 35.17 3k1q s LYS 217 CO 0.17 0.16 0.00 0.39 -0.76 0.00 0.00 175.35 175.31 3k1q n GLU 218 N 0.85 2.27 -1.89 1.68 4.71 -1.26 -4.79 120.64 122.21 3k1q n GLU 218 Ca -0.18 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.75 3k1q n GLU 218 Cb 0.56 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.93 3k1q n GLU 218 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3k1q s LEU 219 N 0.00 3.02 -0.65 -4.62 2.96 -1.26 -4.95 118.68 113.18 3k1q s LEU 219 Ca 0.00 -0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 53.10 3k1q s LEU 219 Cb 0.00 -2.56 0.08 0.00 0.50 0.00 0.00 46.19 44.21 3k1q s LEU 219 CO 0.00 -3.23 0.91 0.27 -1.32 0.00 0.00 176.35 172.98 3k1q s ILE 220 N 11.96 4.43 0.00 6.68 -5.25 -1.26 -4.84 121.20 132.93 3k1q s ILE 220 Ca 0.77 -0.51 0.00 0.00 -0.99 0.00 0.00 60.65 59.92 3k1q s ILE 220 Cb -0.08 -4.65 0.00 0.00 2.95 0.00 0.00 42.46 40.69 3k1q s ILE 220 CO 0.04 -1.39 0.00 0.61 -1.79 0.00 0.00 174.94 172.41 3k1q n GLY 221 N 5.32 2.80 3.39 6.27 0.00 -1.26 -4.98 105.19 116.73 3k1q n GLY 221 Ca -0.05 -1.75 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 3k1q n GLY 221 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k1q s PHE 222 N -2.03 3.10 -0.69 1.61 5.36 -0.83 -4.86 117.98 119.63 3k1q s PHE 222 Ca 0.00 -0.85 -0.26 0.00 -0.96 0.00 0.00 56.93 54.86 3k1q s PHE 222 Cb 0.00 -3.66 -0.08 0.00 -0.34 0.00 0.00 43.02 38.94 3k1q s PHE 222 CO 0.00 -1.07 2.26 0.95 -1.46 0.00 0.00 175.22 175.90 3k1q s THR 223 N 2.32 3.13 -0.73 0.12 -4.23 -1.26 -1.65 115.64 113.33 3k1q s THR 223 Ca 0.10 -0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.44 3k1q s THR 223 Cb -0.23 -3.31 0.19 0.00 1.34 0.00 0.00 72.50 70.49 3k1q s THR 223 CO 0.08 -0.29 0.67 0.86 -0.54 0.00 0.00 174.62 175.39 3k1q s TRP 224 N 12.42 3.60 0.00 3.99 -0.00 0.28 -4.95 118.94 134.29 3k1q s TRP 224 Ca 0.87 -1.85 0.00 0.00 -0.00 0.00 0.00 56.10 55.12 3k1q s TRP 224 Cb -0.13 -3.77 0.00 0.00 -0.00 0.00 0.00 33.47 29.57 3k1q s TRP 224 CO 0.14 -0.99 0.00 1.19 -0.00 0.00 0.00 176.95 177.29 3k1q n PHE 225 N 4.31 0.00 0.94 5.86 3.01 -1.26 -0.10 117.46 130.21 3k1q n PHE 225 Ca 0.06 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.52 3k1q n PHE 225 Cb 0.44 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.95 3k1q n PHE 225 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k1q n MET 226 N 1.55 1.28 -4.08 -1.08 0.00 -1.26 -4.90 117.12 108.64 3k1q n MET 226 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 57.70 57.33 3k1q n MET 226 Cb 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 33.22 31.59 3k1q n MET 226 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 3k1q s GLN 227 N -1.20 0.56 -0.15 3.17 -0.44 0.85 -5.15 119.66 117.30 3k1q s GLN 227 Ca 0.04 -0.78 -0.03 0.00 -2.50 0.00 0.00 55.36 52.10 3k1q s GLN 227 Cb 0.03 -0.36 -0.02 0.00 -1.64 0.00 0.00 33.01 31.02 3k1q s GLN 227 CO 0.01 0.07 -0.07 1.41 0.50 0.00 0.00 175.29 177.21 3k1q s MET 228 N -1.58 3.56 -0.63 1.67 -2.45 -1.26 0.10 119.30 118.71 3k1q s MET 228 Ca -0.09 -0.58 -0.03 0.00 -1.25 0.00 0.00 55.69 53.74 3k1q s MET 228 Cb -0.10 -2.84 0.16 0.00 1.25 0.00 0.00 34.83 33.31 3k1q s MET 228 CO 0.01 0.20 0.45 0.71 1.05 0.00 0.00 175.02 177.43 3k1q s TYR 229 N 0.45 3.42 -0.56 4.11 4.12 -0.66 -4.96 117.35 123.27 3k1q s TYR 229 Ca -0.06 -2.69 -0.27 0.00 0.02 0.00 0.00 57.07 54.07 3k1q s TYR 229 Cb -0.15 -3.22 0.00 0.00 -1.52 0.00 0.00 41.96 37.08 3k1q s TYR 229 CO 0.03 -0.85 1.57 -0.65 0.02 0.00 0.00 175.55 175.67 3k1q s GLN 230 N -0.05 3.12 -0.86 -0.62 -1.52 -1.26 -1.97 119.66 116.50 3k1q s GLN 230 Ca 0.17 0.56 -0.23 0.00 -1.95 0.00 0.00 55.36 53.91 3k1q s GLN 230 Cb -0.20 -4.21 -0.15 0.00 -0.22 0.00 0.00 33.01 28.23 3k1q s GLN 230 CO -0.04 -2.15 1.91 -1.33 -0.25 0.00 0.00 175.29 173.43 3k1q n MET 231 N 8.82 1.41 -1.65 2.91 2.81 -1.26 -4.98 117.12 125.18 3k1q n MET 231 Ca 0.15 -1.99 -0.42 0.00 -1.81 0.00 0.00 57.70 53.62 3k1q n MET 231 Cb 0.50 -3.17 -0.03 0.00 -0.71 0.00 0.00 33.22 29.80 3k1q n MET 231 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3k1q n THR 232 N 6.71 0.69 -2.04 2.03 -2.24 -1.26 -4.88 114.28 113.30 3k1q n THR 232 Ca 0.48 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.63 3k1q n THR 232 Cb 0.43 -2.36 -0.03 0.00 -2.10 0.00 0.00 70.33 66.27 3k1q n THR 232 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k1q s PRO 233 N 4.83 4.20 0.42 -0.78 0.04 -1.26 -4.79 135.00 137.66 3k1q s PRO 233 Ca 0.91 2.17 0.20 0.00 0.04 0.00 0.00 61.00 64.32 3k1q s PRO 233 Cb -0.42 -3.82 0.92 0.00 0.04 0.00 0.00 34.50 31.22 3k1q s PRO 233 CO 0.41 -0.77 1.86 -1.00 0.04 0.00 0.00 177.00 177.54 3k1q h PRO 234 N 8.93 0.00 -5.87 0.56 0.13 -1.89 -3.44 132.00 130.41 3k1q h PRO 234 Ca -0.39 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.07 3k1q h PRO 234 Cb 1.18 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 3k1q h PRO 234 CO 0.94 0.29 -0.56 -0.51 -0.23 0.00 0.00 178.00 177.94 3k1q s LEU 235 N -7.38 3.98 -0.34 1.56 1.43 -1.26 -4.31 118.68 112.36 3k1q s LEU 235 Ca -0.01 0.26 -0.38 0.00 -1.03 0.00 0.00 54.13 52.96 3k1q s LEU 235 Cb 0.12 -2.09 -0.14 0.00 0.03 0.00 0.00 46.19 44.11 3k1q s LEU 235 CO 0.66 0.35 2.03 -2.65 0.23 0.00 0.00 176.35 176.97 3k1q n PRO 236 N 1.70 0.97 -2.64 1.29 -0.02 -1.26 -4.84 135.00 130.21 3k1q n PRO 236 Ca -0.17 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.19 3k1q n PRO 236 Cb 0.54 -2.21 0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3k1q n PRO 236 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3k1q n GLU 237 N 7.15 4.05 -4.24 -0.52 -0.58 -1.26 -4.68 120.64 120.55 3k1q n GLU 237 Ca 0.38 -4.01 -0.27 0.00 -0.42 0.00 0.00 57.16 52.84 3k1q n GLU 237 Cb 0.16 -2.73 -0.08 0.00 -0.57 0.00 0.00 31.44 28.22 3k1q n GLU 237 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3k1q s GLY 238 N -0.40 1.74 0.20 0.62 0.00 -1.26 -3.04 107.32 105.17 3k1q s GLY 238 Ca 0.36 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.64 3k1q s GLY 238 CO 0.05 -1.41 1.56 0.00 0.00 0.00 0.00 173.10 173.30 3k1q h ALA 239 N 2.86 0.77 -3.44 3.20 0.00 -0.67 -1.37 119.26 120.61 3k1q h ALA 239 Ca -0.47 -0.44 -0.42 0.00 0.00 0.00 0.00 54.91 53.59 3k1q h ALA 239 Cb 1.20 -0.12 -0.34 0.00 0.00 0.00 0.00 17.79 18.53 3k1q h ALA 239 CO 0.56 0.65 -0.77 0.08 0.00 0.00 0.00 179.25 179.77 3k1q s VAL 240 N -4.32 0.55 -0.07 0.00 1.01 0.82 -2.60 120.40 115.79 3k1q s VAL 240 Ca -0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 3k1q s VAL 240 Cb 0.12 -0.59 0.04 0.00 0.00 0.00 0.00 36.38 35.96 3k1q s VAL 240 CO 0.84 0.23 0.15 0.20 0.00 0.00 0.00 175.10 176.53 3k1q s ASN 241 N 1.00 -0.03 -0.04 3.32 0.01 -0.84 0.52 114.94 118.89 3k1q s ASN 241 Ca -0.10 0.32 0.05 0.00 -0.71 0.00 0.00 52.86 52.42 3k1q s ASN 241 Cb -0.14 0.21 -0.01 0.00 0.41 0.00 0.00 41.25 41.72 3k1q s ASN 241 CO -0.00 -0.16 -0.19 -0.13 -1.51 0.00 0.00 177.10 175.10 3k1q s ARG 242 N 1.30 1.85 0.21 -0.60 0.52 0.83 -0.45 118.95 122.61 3k1q s ARG 242 Ca -0.08 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 3k1q s ARG 242 Cb -0.12 -1.66 -0.09 0.00 0.52 0.00 0.00 34.95 33.61 3k1q s ARG 242 CO -0.06 0.33 1.22 0.42 0.02 0.00 0.00 175.30 177.23 3k1q s ILE 243 N -0.17 3.41 -0.07 1.52 1.01 0.13 -1.34 121.20 125.68 3k1q s ILE 243 Ca 0.00 1.21 -0.03 0.00 0.00 0.00 0.00 60.65 61.84 3k1q s ILE 243 Cb -0.11 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.63 3k1q s ILE 243 CO 0.01 0.21 0.09 -0.69 0.00 0.00 0.00 174.94 174.56 3k1q s VAL 244 N -0.20 -0.15 0.02 2.92 1.01 -0.16 -4.87 120.40 118.98 3k1q s VAL 244 Ca 0.53 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 3k1q s VAL 244 Cb -0.34 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 3k1q s VAL 244 CO 0.39 0.11 1.51 0.00 0.00 0.00 0.00 175.10 177.10 3k1q s MET 246 N 2.63 0.93 -0.28 0.00 -1.94 0.95 -1.25 119.30 120.34 3k1q s MET 246 Ca 0.68 -1.49 -0.29 0.00 -1.71 0.00 0.00 55.69 52.88 3k1q s MET 246 Cb -0.34 -0.75 -0.06 0.00 2.01 0.00 0.00 34.83 35.68 3k1q s MET 246 CO 0.28 -1.34 2.25 0.25 -0.01 0.00 0.00 175.02 176.46 3k1q n THR 247 N 3.11 0.26 -2.47 2.05 -2.24 -0.91 -2.39 114.28 111.69 3k1q n THR 247 Ca 0.22 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.48 3k1q n THR 247 Cb 0.51 -2.48 0.01 0.00 -2.10 0.00 0.00 70.33 66.27 3k1q n THR 247 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k1q n ASN 248 N 12.09 -2.47 -0.22 3.42 3.02 0.30 -4.63 115.26 126.78 3k1q n ASN 248 Ca 0.33 -0.06 0.03 0.00 -0.03 0.00 0.00 54.58 54.84 3k1q n ASN 248 Cb 0.43 -1.33 0.14 0.00 -0.61 0.00 0.00 39.78 38.41 3k1q n ASN 248 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3k1q h TRP 249 N -0.31 0.24 -0.37 3.10 5.08 -1.64 -2.30 115.95 119.75 3k1q h TRP 249 Ca -0.10 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.91 3k1q h TRP 249 Cb 1.07 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 3k1q h TRP 249 CO 0.10 -0.05 0.00 0.00 -1.28 0.00 0.00 178.44 177.21 3k1q n ALA 250 N -2.62 2.28 -3.38 0.11 0.00 -1.26 -4.98 120.51 110.66 3k1q n ALA 250 Ca 0.11 -1.26 -0.46 0.00 0.00 0.00 0.00 53.44 51.83 3k1q n ALA 250 Cb 0.38 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 3k1q n ALA 250 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k1q s SER 251 N -1.08 6.58 -0.91 0.00 0.01 -0.87 -3.27 113.70 114.16 3k1q s SER 251 Ca 0.27 -2.72 -0.13 0.00 1.31 0.00 0.00 55.95 54.69 3k1q s SER 251 Cb 0.15 -2.17 0.24 0.00 0.21 0.00 0.00 66.02 64.45 3k1q s SER 251 CO 0.17 -0.55 0.87 -0.76 0.41 0.00 0.00 173.24 173.38 3k1q s LEU 252 N 0.13 6.64 0.00 2.44 1.43 -1.12 -4.95 118.68 123.25 3k1q s LEU 252 Ca 0.18 -2.96 0.00 0.00 -1.03 0.00 0.00 54.13 50.32 3k1q s LEU 252 Cb -0.11 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3k1q s LEU 252 CO -0.08 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.62 3k1q n GLY 253 N 3.60 2.07 0.37 -3.19 0.00 -1.20 -3.74 105.19 103.09 3k1q n GLY 253 Ca 0.17 -1.97 0.19 0.00 0.00 0.00 0.00 46.02 44.40 3k1q n GLY 253 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k1q h ASP 254 N 0.00 0.00 0.00 1.61 3.32 -1.74 -3.46 116.42 116.16 3k1q h ASP 254 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k1q h ASP 254 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3k1q h ASP 254 CO 0.00 0.00 0.00 1.21 -1.72 0.00 0.00 179.24 178.73 3k1q n GLU 255 N -4.22 0.00 0.00 3.56 2.13 -1.26 -5.13 120.64 115.72 3k1q n GLU 255 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3k1q n GLU 255 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 3k1q n GLU 255 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k1q n GLY 256 N 0.00 4.13 0.58 8.31 0.00 -1.26 -4.91 105.19 112.04 3k1q n GLY 256 Ca 0.00 -1.14 0.38 0.00 0.00 0.00 0.00 46.02 45.25 3k1q n GLY 256 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k1q h ARG 257 N 0.00 0.00 0.00 1.61 9.65 -1.95 -3.47 114.38 120.22 3k1q h ARG 257 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3k1q h ARG 257 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3k1q h ARG 257 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.18 3k1q n GLY 258 N -1.78 1.96 2.06 2.80 0.00 -1.26 -4.83 105.19 104.15 3k1q n GLY 258 Ca 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 3k1q n GLY 258 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1q n LEU 259 N 0.00 2.49 -4.62 0.99 4.77 -1.26 -4.85 117.00 114.52 3k1q n LEU 259 Ca 0.00 -1.51 -0.43 0.00 -0.03 0.00 0.00 56.01 54.04 3k1q n LEU 259 Cb 0.00 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.45 3k1q n LEU 259 CO 0.00 0.51 0.97 -1.61 -1.33 0.00 0.00 177.39 175.93 3k1q s GLU 260 N 1.65 3.91 -0.81 3.23 8.01 -1.26 -4.35 118.70 129.08 3k1q s GLU 260 Ca 0.19 0.83 -0.24 0.00 0.01 0.00 0.00 54.97 55.76 3k1q s GLU 260 Cb 0.09 -3.81 0.06 0.00 -4.31 0.00 0.00 34.13 26.16 3k1q s GLU 260 CO 0.00 -1.09 1.21 0.08 0.01 0.00 0.00 175.26 175.47 3k1q s VAL 261 N 3.94 4.07 -0.37 2.63 1.01 -1.26 -4.93 120.40 125.48 3k1q s VAL 261 Ca 0.46 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 3k1q s VAL 261 Cb -0.10 -4.87 0.06 0.00 0.00 0.00 0.00 36.38 31.47 3k1q s VAL 261 CO 0.22 -1.72 0.17 -0.13 0.00 0.00 0.00 175.10 173.64 3k1q s ARG 262 N 4.68 2.59 -0.15 2.72 1.81 -1.26 -2.14 118.95 127.21 3k1q s ARG 262 Ca 0.34 -1.31 -0.17 0.00 -1.72 0.00 0.00 55.73 52.86 3k1q s ARG 262 Cb -0.08 -3.60 -0.04 0.00 -0.45 0.00 0.00 34.95 30.77 3k1q s ARG 262 CO 0.04 -0.80 0.44 -0.51 -0.68 0.00 0.00 175.30 173.80 3k1q s LEU 263 N 1.41 4.24 0.93 2.53 1.43 -0.38 -4.91 118.68 123.91 3k1q s LEU 263 Ca 0.01 0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 53.71 3k1q s LEU 263 Cb -0.21 -2.62 0.15 0.00 0.03 0.00 0.00 46.19 43.55 3k1q s LEU 263 CO 0.02 -0.02 1.14 -2.84 0.23 0.00 0.00 176.35 174.89 3k1q s PRO 264 N 0.82 0.93 0.38 1.29 0.02 -1.26 -4.86 135.00 132.32 3k1q s PRO 264 Ca 0.23 1.50 -0.28 0.00 0.02 0.00 0.00 61.00 62.48 3k1q s PRO 264 Cb -0.15 -1.72 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 3k1q s PRO 264 CO 0.09 -2.68 1.45 -1.25 -0.33 0.00 0.00 177.00 174.28 3k1q s PRO 265 N -4.64 4.12 0.48 5.54 0.04 -1.26 -4.93 135.00 134.33 3k1q s PRO 265 Ca 0.67 2.50 0.34 0.00 0.04 0.00 0.00 61.00 64.55 3k1q s PRO 265 Cb -0.23 -2.96 1.47 0.00 0.04 0.00 0.00 34.50 32.83 3k1q s PRO 265 CO 0.58 -0.50 1.67 -1.35 0.04 0.00 0.00 177.00 177.44 3k1q h PRO 266 N 3.01 0.09 -1.01 0.56 0.11 -1.92 0.13 132.00 132.97 3k1q h PRO 266 Ca -0.51 -0.01 0.25 0.00 0.11 0.00 0.00 66.00 65.85 3k1q h PRO 266 Cb 1.24 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3k1q h PRO 266 CO 0.64 0.06 0.66 1.79 -0.21 0.00 0.00 178.00 180.94 3k1q h THR 267 N 0.09 0.56 -2.95 -1.15 1.35 -1.91 0.22 112.91 109.11 3k1q h THR 267 Ca 0.77 -0.13 -0.61 0.00 -0.55 0.00 0.00 66.41 65.89 3k1q h THR 267 Cb 2.63 0.16 -0.04 0.00 -1.73 0.00 0.00 68.15 69.16 3k1q h THR 267 CO -0.24 0.07 -0.43 -1.81 -0.25 0.00 0.00 175.52 172.86 3k1q s ASP 268 N -5.36 6.42 -0.84 5.36 1.11 0.46 -4.70 116.67 119.13 3k1q s ASP 268 Ca -0.08 0.42 -0.21 0.00 0.18 0.00 0.00 52.55 52.85 3k1q s ASP 268 Cb 0.24 -2.02 -0.19 0.00 1.07 0.00 0.00 42.92 42.02 3k1q s ASP 268 CO 0.79 0.17 2.29 -1.54 1.18 0.00 0.00 175.17 178.06 3k1q n SER 269 N 0.51 0.91 0.00 0.27 3.41 -1.26 -4.73 113.62 112.72 3k1q n SER 269 Ca -0.07 -1.38 0.04 0.00 -0.26 0.00 0.00 58.87 57.21 3k1q n SER 269 Cb 0.52 -1.39 0.27 0.00 -0.26 0.00 0.00 64.21 63.35 3k1q n SER 269 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k1q n SER 270 N 15.50 0.00 -0.22 4.04 3.41 -1.26 -4.28 113.62 130.81 3k1q n SER 270 Ca 0.50 -0.37 0.10 0.00 -0.26 0.00 0.00 58.87 58.84 3k1q n SER 270 Cb 0.37 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.71 3k1q n SER 270 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3k1q h VAL 271 N 0.00 0.91 -0.80 -3.33 3.04 -1.94 -2.22 116.25 111.91 3k1q h VAL 271 Ca 0.00 -0.23 0.13 0.00 -1.01 0.00 0.00 66.70 65.58 3k1q h VAL 271 Cb 0.00 0.17 -0.13 0.00 -2.01 0.00 0.00 31.29 29.32 3k1q h VAL 271 CO 0.00 0.12 -0.31 1.41 -1.01 0.00 0.00 177.57 177.79 3k1q n HIS 272 N -4.51 0.04 -0.03 3.17 -0.00 -1.26 -0.69 115.22 111.94 3k1q n HIS 272 Ca 0.14 0.99 0.22 0.00 -0.00 0.00 0.00 57.72 59.06 3k1q n HIS 272 Cb 0.38 -0.81 0.70 0.00 -0.00 0.00 0.00 29.99 30.26 3k1q n HIS 272 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k1q h ALA 273 N 1.13 2.56 -0.04 -1.41 0.00 -1.75 -1.71 119.26 118.04 3k1q h ALA 273 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3k1q h ALA 273 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3k1q h ALA 273 CO -0.80 -0.73 0.00 0.66 0.00 0.00 0.00 179.25 178.38 3k1q n TYR 274 N -4.36 0.02 -1.23 0.00 4.02 0.14 -4.68 117.16 111.07 3k1q n TYR 274 Ca 0.11 -0.01 -0.22 0.00 -0.01 0.00 0.00 57.90 57.77 3k1q n TYR 274 Cb 0.67 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.97 3k1q n TYR 274 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3k1q n LYS 275 N 0.84 2.15 -0.11 -0.72 4.76 -0.65 -4.57 118.16 119.86 3k1q n LYS 275 Ca 0.16 -2.00 -0.24 0.00 -2.87 0.00 0.00 58.31 53.36 3k1q n LYS 275 Cb 0.49 -1.93 -0.11 0.00 -1.84 0.00 0.00 35.03 31.64 3k1q n LYS 275 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3k1q n THR 276 N 0.69 1.53 0.00 -0.18 -2.24 -1.26 -4.85 114.28 107.97 3k1q n THR 276 Ca 0.41 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 3k1q n THR 276 Cb 0.58 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 3k1q n THR 276 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3k1q n VAL 277 N -4.38 0.00 0.40 2.28 0.31 -1.26 -4.84 118.33 110.84 3k1q n VAL 277 Ca -0.38 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.06 3k1q n VAL 277 Cb 0.74 -0.12 0.47 0.00 -0.91 0.00 0.00 33.84 34.03 3k1q n VAL 277 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3k1q n LEU 278 N 0.00 0.60 0.09 7.52 7.94 -1.26 -3.98 117.00 127.92 3k1q n LEU 278 Ca 0.00 0.65 0.03 0.00 -1.11 0.00 0.00 56.01 55.58 3k1q n LEU 278 Cb 0.00 -0.57 0.17 0.00 0.53 0.00 0.00 43.42 43.55 3k1q n LEU 278 CO 0.00 -0.53 0.67 -1.20 -1.11 0.00 0.00 177.39 175.21 3k1q n SER 279 N -2.17 0.17 -0.20 1.96 7.64 -1.26 -3.71 113.62 116.05 3k1q n SER 279 Ca 0.02 0.40 0.09 0.00 1.01 0.00 0.00 58.87 60.39 3k1q n SER 279 Cb 0.22 -0.35 0.17 0.00 -1.01 0.00 0.00 64.21 63.24 3k1q n SER 279 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3k1q n ARG 280 N -1.69 -0.05 -0.07 1.43 5.12 -1.26 -2.03 116.66 118.12 3k1q n ARG 280 Ca -0.00 0.87 -0.09 0.00 -1.93 0.00 0.00 57.85 56.70 3k1q n ARG 280 Cb 0.33 -1.38 -0.06 0.00 -1.16 0.00 0.00 32.46 30.19 3k1q n ARG 280 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3k1q h GLY 281 N 0.00 0.00 -7.23 -0.13 0.00 -1.94 -3.44 103.07 90.33 3k1q h GLY 281 Ca 0.35 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.07 3k1q h GLY 281 CO -0.55 0.00 1.22 -2.52 0.00 0.00 0.00 176.54 174.69 3k1q s TYR 282 N -2.05 2.62 -0.60 5.60 -0.85 -0.86 -4.86 117.35 116.35 3k1q s TYR 282 Ca -0.14 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 3k1q s TYR 282 Cb 0.01 -4.57 0.00 0.00 0.38 0.00 0.00 41.96 37.78 3k1q s TYR 282 CO 0.34 -1.85 0.37 0.44 -1.52 0.00 0.00 175.55 173.33 3k1q n ILE 283 N 6.45 0.21 -1.71 -3.49 -6.64 -1.26 -4.73 119.36 108.19 3k1q n ILE 283 Ca 0.23 0.00 -0.17 0.00 -1.77 0.00 0.00 62.75 61.04 3k1q n ILE 283 Cb 0.50 -0.46 -0.08 0.00 -1.44 0.00 0.00 39.64 38.16 3k1q n ILE 283 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 3k1q s ASP 284 N 0.12 4.05 0.16 7.28 1.01 -1.26 -4.88 116.67 123.14 3k1q s ASP 284 Ca 0.00 -0.56 -0.15 0.00 0.71 0.00 0.00 52.55 52.54 3k1q s ASP 284 Cb 0.00 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.39 3k1q s ASP 284 CO 0.00 -3.91 1.78 -0.55 0.21 0.00 0.00 175.17 172.70 3k1q h ASN 285 N 11.82 0.55 -2.77 0.27 7.08 -2.01 -3.00 115.58 127.52 3k1q h ASN 285 Ca 0.04 -0.06 -0.61 0.00 -3.08 0.00 0.00 56.30 52.59 3k1q h ASN 285 Cb 0.99 -0.14 -0.13 0.00 -2.08 0.00 0.00 38.32 36.97 3k1q h ASN 285 CO 1.06 0.45 0.62 0.00 -2.08 0.00 0.00 177.43 177.47 3k1q s ALA 286 N -5.97 3.08 0.00 4.14 0.00 -1.26 -4.80 121.76 116.95 3k1q s ALA 286 Ca -0.13 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.22 3k1q s ALA 286 Cb 0.11 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3k1q s ALA 286 CO 0.74 -2.73 0.00 1.04 0.00 0.00 0.00 175.76 174.81 3k1q n GLN 287 N 7.86 0.00 -4.48 0.00 6.02 -1.13 -4.84 117.38 120.80 3k1q n GLN 287 Ca -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.66 3k1q n GLN 287 Cb 0.46 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.62 3k1q n GLN 287 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3k1q s PHE 288 N -0.78 2.82 -0.29 1.08 -0.12 -0.12 -4.89 117.98 115.68 3k1q s PHE 288 Ca 0.00 -0.09 -0.29 0.00 -0.05 0.00 0.00 56.93 56.50 3k1q s PHE 288 Cb 0.00 -1.57 -0.00 0.00 -0.63 0.00 0.00 43.02 40.82 3k1q s PHE 288 CO 0.00 0.35 1.31 1.21 -0.05 0.00 0.00 175.22 178.04 3k1q s ASN 289 N -1.48 6.69 0.26 1.98 3.84 -1.26 -2.58 114.94 122.39 3k1q s ASN 289 Ca 0.17 1.26 -0.00 0.00 0.21 0.00 0.00 52.86 54.50 3k1q s ASN 289 Cb -0.11 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.40 3k1q s ASN 289 CO 0.08 -1.06 1.72 1.55 -2.79 0.00 0.00 177.10 176.60 3k1q h PRO 290 N 9.24 0.62 0.00 0.43 0.13 -1.92 -3.21 132.00 137.29 3k1q h PRO 290 Ca -0.26 -0.22 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3k1q h PRO 290 Cb 1.10 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 3k1q h PRO 290 CO 1.03 0.77 -0.07 -0.07 -0.23 0.00 0.00 178.00 179.42 3k1q h LEU 291 N 0.56 0.00 -2.67 1.56 3.38 -1.91 -2.05 115.31 114.18 3k1q h LEU 291 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k1q h LEU 291 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3k1q h LEU 291 CO 0.04 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.64 3k1q n ALA 292 N -2.19 2.68 0.19 1.53 0.00 -1.21 -0.45 120.51 121.05 3k1q n ALA 292 Ca -0.01 -1.31 -0.16 0.00 0.00 0.00 0.00 53.44 51.96 3k1q n ALA 292 Cb 0.22 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 3k1q n ALA 292 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3k1q h LEU 293 N 3.90 -1.33 -0.80 0.00 3.38 -1.27 -0.01 115.31 119.17 3k1q h LEU 293 Ca 0.00 0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.28 3k1q h LEU 293 Cb 1.11 0.47 -0.14 0.00 0.09 0.00 0.00 40.66 42.19 3k1q h LEU 293 CO 0.09 -0.57 0.01 -0.09 0.09 0.00 0.00 178.44 177.97 3k1q h ARG 294 N -0.82 0.09 0.00 1.13 2.43 -1.32 0.14 114.38 116.03 3k1q h ARG 294 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3k1q h ARG 294 Cb 0.77 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3k1q h ARG 294 CO -0.17 0.06 0.00 0.43 -1.51 0.00 0.00 179.97 178.79 3k1q n SER 295 N -5.36 0.00 -0.20 -3.80 7.64 -0.80 -1.34 113.62 109.76 3k1q n SER 295 Ca 0.15 0.89 -0.05 0.00 1.01 0.00 0.00 58.87 60.87 3k1q n SER 295 Cb 0.52 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 3k1q n SER 295 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3k1q n ASN 296 N -2.29 -0.51 0.15 6.43 3.02 -0.08 -0.91 115.26 121.06 3k1q n ASN 296 Ca 0.00 1.08 0.14 0.00 -0.03 0.00 0.00 54.58 55.77 3k1q n ASN 296 Cb 0.00 -0.23 0.68 0.00 -0.61 0.00 0.00 39.78 39.62 3k1q n ASN 296 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3k1q h VAL 297 N 0.00 0.85 -0.34 2.41 2.07 -0.77 -2.45 116.25 118.01 3k1q h VAL 297 Ca 0.08 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.44 3k1q h VAL 297 Cb 0.20 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3k1q h VAL 297 CO -0.45 0.00 -0.41 -0.07 0.02 0.00 0.00 177.57 176.66 3k1q h LEU 298 N 0.00 0.91 -0.34 2.57 3.38 0.27 -0.99 115.31 121.12 3k1q h LEU 298 Ca 0.11 -0.43 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 3k1q h LEU 298 Cb 0.45 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3k1q h LEU 298 CO -0.00 1.20 -0.71 -0.07 0.09 0.00 0.00 178.44 178.95 3k1q h LEU 299 N 0.69 0.00 -0.60 1.67 3.38 -1.40 -0.89 115.31 118.16 3k1q h LEU 299 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3k1q h LEU 299 Cb 0.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 3k1q h LEU 299 CO 0.10 0.71 0.35 0.24 0.09 0.00 0.00 178.44 179.92 3k1q h MET 300 N 0.00 0.83 -0.41 1.13 2.86 -0.95 -0.17 114.93 118.21 3k1q h MET 300 Ca -0.01 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 3k1q h MET 300 Cb 1.39 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 3k1q h MET 300 CO 0.09 0.61 0.02 -0.07 1.06 0.00 0.00 176.91 178.62 3k1q h LEU 301 N 0.82 0.61 -0.58 1.22 3.38 -0.46 -0.39 115.31 119.91 3k1q h LEU 301 Ca 0.21 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3k1q h LEU 301 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3k1q h LEU 301 CO -0.04 0.67 0.38 0.25 0.09 0.00 0.00 178.44 179.79 3k1q h LEU 302 N 0.62 0.66 -0.80 1.67 5.85 0.19 -1.75 115.31 121.76 3k1q h LEU 302 Ca 0.13 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3k1q h LEU 302 Cb 0.35 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3k1q h LEU 302 CO 0.01 0.48 -0.09 1.56 -0.34 0.00 0.00 178.44 180.07 3k1q h GLN 303 N 0.78 0.81 -0.55 1.25 4.20 -0.75 0.48 115.11 121.34 3k1q h GLN 303 Ca 0.21 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3k1q h GLN 303 Cb -0.09 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3k1q h GLN 303 CO -0.05 0.87 0.29 0.35 -0.67 0.00 0.00 178.83 179.63 3k1q h PHE 304 N 0.74 0.73 0.51 2.96 3.57 -0.91 0.22 116.94 124.77 3k1q h PHE 304 Ca 0.13 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3k1q h PHE 304 Cb 0.57 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.08 3k1q h PHE 304 CO 0.03 0.52 -0.25 1.15 -2.23 0.00 0.00 178.31 177.53 3k1q h THR 305 N 0.76 0.34 -0.35 4.41 2.02 -0.75 -3.14 112.91 116.20 3k1q h THR 305 Ca 0.19 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 67.00 3k1q h THR 305 Cb 0.03 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 3k1q h THR 305 CO -0.03 0.05 0.12 -0.07 0.37 0.00 0.00 175.52 175.96 3k1q h LEU 306 N -0.99 0.13 0.00 2.58 3.38 0.09 -0.91 115.31 119.59 3k1q h LEU 306 Ca -0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3k1q h LEU 306 Cb 0.61 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3k1q h LEU 306 CO 0.12 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.22 3k1q n SER 307 N -5.02 0.00 -0.18 -0.43 3.41 0.77 -2.74 113.62 109.43 3k1q n SER 307 Ca 0.01 0.14 0.02 0.00 -0.26 0.00 0.00 58.87 58.78 3k1q n SER 307 Cb 0.13 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3k1q n SER 307 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3k1q n ASN 308 N -1.21 1.34 -4.44 4.04 5.03 -0.37 -4.76 115.26 114.90 3k1q n ASN 308 Ca 0.02 -1.17 -0.35 0.00 0.87 0.00 0.00 54.58 53.95 3k1q n ASN 308 Cb 0.02 0.05 -0.04 0.00 -1.02 0.00 0.00 39.78 38.80 3k1q n ASN 308 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3k1q n LEU 309 N 0.20 3.96 -3.89 3.41 4.77 -1.08 -4.69 117.00 119.68 3k1q n LEU 309 Ca 0.03 -3.43 -0.14 0.00 -0.03 0.00 0.00 56.01 52.43 3k1q n LEU 309 Cb 0.12 -1.68 -0.14 0.00 -2.33 0.00 0.00 43.42 39.39 3k1q n LEU 309 CO 0.03 -0.91 -0.38 -0.54 -1.33 0.00 0.00 177.39 174.26 3k1q s LYS 310 N 5.45 0.19 -0.88 3.23 3.01 -1.26 -4.89 119.74 124.59 3k1q s LYS 310 Ca 0.62 -0.05 -0.25 0.00 -1.01 0.00 0.00 55.97 55.28 3k1q s LYS 310 Cb 0.03 -0.21 -0.00 0.00 -1.01 0.00 0.00 37.83 36.63 3k1q s LYS 310 CO 0.11 0.02 1.70 0.42 0.51 0.00 0.00 175.35 178.11 3k1q s ILE 311 N 0.12 3.61 -0.68 2.17 1.01 -0.18 -4.90 121.20 122.36 3k1q s ILE 311 Ca -0.01 -0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 3k1q s ILE 311 Cb -0.03 -4.43 -0.08 0.00 0.01 0.00 0.00 42.46 37.93 3k1q s ILE 311 CO -0.00 -1.35 2.26 0.21 0.00 0.00 0.00 174.94 176.05 3k1q s ASN 312 N 6.62 4.46 0.66 3.58 2.47 -1.26 -2.02 114.94 129.45 3k1q s ASN 312 Ca 0.58 0.35 -0.17 0.00 0.42 0.00 0.00 52.86 54.04 3k1q s ASN 312 Cb -0.06 -2.53 -0.00 0.00 -1.45 0.00 0.00 41.25 37.21 3k1q s ASN 312 CO 0.01 -3.14 1.23 -0.75 -3.72 0.00 0.00 177.10 170.73 3k1q s LYS 313 N 8.13 2.56 0.41 0.43 2.20 0.24 -0.25 119.74 133.45 3k1q s LYS 313 Ca 0.87 1.87 -0.24 0.00 -0.36 0.00 0.00 55.97 58.11 3k1q s LYS 313 Cb -0.13 -1.87 -0.08 0.00 -1.51 0.00 0.00 37.83 34.23 3k1q s LYS 313 CO 0.15 -1.54 1.13 -1.12 -0.36 0.00 0.00 175.35 173.61 3k1q s SER 314 N -1.70 6.49 0.24 1.43 0.01 -1.01 -4.20 113.70 114.97 3k1q s SER 314 Ca 0.78 2.25 0.09 0.00 1.31 0.00 0.00 55.95 60.38 3k1q s SER 314 Cb -0.32 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.26 3k1q s SER 314 CO 0.39 -0.69 -0.04 -0.55 0.41 0.00 0.00 173.24 172.76 3k1q s SER 315 N -1.31 4.40 -0.28 2.44 0.15 -1.26 -4.92 113.70 112.92 3k1q s SER 315 Ca 0.59 -0.64 -0.29 0.00 0.70 0.00 0.00 55.95 56.30 3k1q s SER 315 Cb -0.28 -0.78 0.01 0.00 -1.71 0.00 0.00 66.02 63.27 3k1q s SER 315 CO 0.35 0.04 1.09 0.42 1.20 0.00 0.00 173.24 176.34 3k1q s THR 316 N -2.15 4.51 -0.06 6.45 -4.23 -1.26 -4.98 115.64 113.92 3k1q s THR 316 Ca 0.29 1.77 0.03 0.00 -1.18 0.00 0.00 61.69 62.61 3k1q s THR 316 Cb -0.07 -4.34 -0.02 0.00 1.34 0.00 0.00 72.50 69.40 3k1q s THR 316 CO 0.18 -0.38 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.38 3k1q s PHE 317 N 3.58 2.71 0.42 3.99 0.40 -1.26 -2.10 117.98 125.71 3k1q s PHE 317 Ca 0.46 -0.23 0.07 0.00 -0.60 0.00 0.00 56.93 56.63 3k1q s PHE 317 Cb -0.14 -1.66 -0.07 0.00 0.51 0.00 0.00 43.02 41.66 3k1q s PHE 317 CO 0.13 0.12 0.01 -0.08 0.70 0.00 0.00 175.22 176.11 3k1q s THR 318 N -0.57 1.95 0.62 0.64 -1.32 -0.20 -4.87 115.64 111.90 3k1q s THR 318 Ca 0.08 -1.99 -0.15 0.00 -1.21 0.00 0.00 61.69 58.42 3k1q s THR 318 Cb -0.11 -2.94 -0.02 0.00 -1.51 0.00 0.00 72.50 67.91 3k1q s THR 318 CO 0.01 0.00 1.07 -0.55 -2.21 0.00 0.00 174.62 172.95 3k1q s SER 319 N -3.73 5.55 -1.26 8.08 0.15 -1.25 0.23 113.70 121.46 3k1q s SER 319 Ca 0.33 1.87 -0.19 0.00 0.70 0.00 0.00 55.95 58.66 3k1q s SER 319 Cb 0.09 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.91 3k1q s SER 319 CO 0.17 -1.33 1.75 -0.62 1.20 0.00 0.00 173.24 174.41 3k1q s ASP 320 N -2.76 6.57 0.66 5.45 -1.08 0.17 -4.79 116.67 120.89 3k1q s ASP 320 Ca 0.64 -2.27 0.30 0.00 -0.52 0.00 0.00 52.55 50.70 3k1q s ASP 320 Cb -0.17 -2.58 1.61 0.00 -1.46 0.00 0.00 42.92 40.32 3k1q s ASP 320 CO 0.39 -1.45 1.91 -0.37 0.52 0.00 0.00 175.17 176.17 3k1q h VAL 321 N 5.74 0.03 -3.61 1.11 -1.51 -1.91 -3.18 116.25 112.92 3k1q h VAL 321 Ca 0.40 0.00 -0.51 0.00 -1.23 0.00 0.00 66.70 65.36 3k1q h VAL 321 Cb 0.89 0.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.69 3k1q h VAL 321 CO 1.43 0.00 0.32 0.42 -1.23 0.00 0.00 177.57 178.50 3k1q s THR 322 N -4.14 4.35 0.00 7.19 -4.23 -1.26 -4.87 115.64 112.68 3k1q s THR 322 Ca -0.03 1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 62.46 3k1q s THR 322 Cb 0.09 -4.29 -0.04 0.00 1.34 0.00 0.00 72.50 69.61 3k1q s THR 322 CO 0.30 0.41 1.16 0.35 -0.54 0.00 0.00 174.62 176.30 3k1q n THR 323 N 2.19 0.98 0.00 3.99 -2.24 -1.26 -4.12 114.28 113.83 3k1q n THR 323 Ca -0.01 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3k1q n THR 323 Cb 0.48 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 3k1q n THR 323 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3k1q n ILE 324 N 2.12 0.00 -3.89 2.28 -5.35 -1.26 -4.97 119.36 108.29 3k1q n ILE 324 Ca 0.06 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.25 3k1q n ILE 324 Cb 0.27 -0.04 -0.12 0.00 -1.74 0.00 0.00 39.64 38.01 3k1q n ILE 324 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3k1q s THR 325 N 0.90 2.97 0.55 7.28 -4.23 -1.26 -5.12 115.64 116.74 3k1q s THR 325 Ca 0.00 -4.07 -0.21 0.00 -1.18 0.00 0.00 61.69 56.24 3k1q s THR 325 Cb 0.00 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 3k1q s THR 325 CO 0.00 -0.97 1.24 -0.44 -0.54 0.00 0.00 174.62 173.90 3k1q s SER 326 N -1.12 5.47 0.00 3.99 0.01 -1.26 -4.45 113.70 116.34 3k1q s SER 326 Ca 0.24 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.96 3k1q s SER 326 Cb -0.09 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.53 3k1q s SER 326 CO -0.13 -1.41 0.00 0.61 0.41 0.00 0.00 173.24 172.72 3k1q n GLY 327 N 0.55 1.56 3.08 3.44 0.00 -1.20 -4.95 105.19 107.65 3k1q n GLY 327 Ca 0.11 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3k1q n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1q n ARG 328 N 0.00 0.00 -3.44 1.61 5.12 -1.26 -3.16 116.66 115.53 3k1q n ARG 328 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3k1q n ARG 328 Cb 0.00 -0.92 -0.10 0.00 -1.16 0.00 0.00 32.46 30.29 3k1q n ARG 328 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3k1q s MET 329 N -0.92 3.23 0.07 5.56 -1.94 -1.25 0.44 119.30 124.49 3k1q s MET 329 Ca 0.57 -0.77 0.08 0.00 -1.71 0.00 0.00 55.69 53.86 3k1q s MET 329 Cb -0.73 -3.90 -0.03 0.00 2.01 0.00 0.00 34.83 32.17 3k1q s MET 329 CO 0.54 -0.66 -0.18 0.96 -0.01 0.00 0.00 175.02 175.68 3k1q s ILE 330 N 1.84 2.83 0.29 2.53 -5.25 0.14 0.08 121.20 123.67 3k1q s ILE 330 Ca 0.08 -1.28 -0.30 0.00 -0.99 0.00 0.00 60.65 58.15 3k1q s ILE 330 Cb -0.18 -2.23 -0.11 0.00 2.95 0.00 0.00 42.46 42.89 3k1q s ILE 330 CO 0.11 0.26 1.61 -0.60 -1.79 0.00 0.00 174.94 174.53 3k1q s ARG 331 N -1.68 4.11 -1.20 0.37 3.52 -1.26 -1.03 118.95 121.78 3k1q s ARG 331 Ca 0.16 2.60 -0.15 0.00 -0.13 0.00 0.00 55.73 58.21 3k1q s ARG 331 Cb -0.11 -3.02 0.16 0.00 -1.56 0.00 0.00 34.95 30.42 3k1q s ARG 331 CO 0.07 -0.65 1.44 0.00 -0.81 0.00 0.00 175.30 175.35 3k1q s ALA 332 N 0.05 3.87 0.35 6.12 0.00 -0.89 -4.91 121.76 126.34 3k1q s ALA 332 Ca 0.64 -3.26 -0.23 0.00 0.00 0.00 0.00 51.96 49.10 3k1q s ALA 332 Cb -0.48 -4.18 -0.16 0.00 0.00 0.00 0.00 23.12 18.30 3k1q s ALA 332 CO 0.48 -2.85 0.26 0.34 0.00 0.00 0.00 175.76 173.98 3k1q n PHE 333 N 6.03 -1.48 -1.47 0.00 7.35 -1.26 -4.75 117.46 121.88 3k1q n PHE 333 Ca 0.37 0.72 -0.46 0.00 -0.76 0.00 0.00 57.45 57.32 3k1q n PHE 333 Cb 0.44 -1.85 -0.08 0.00 0.35 0.00 0.00 39.48 38.34 3k1q n PHE 333 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3k1q n GLU 334 N 1.17 0.89 0.00 -4.13 0.00 -1.26 -4.26 120.64 113.06 3k1q n GLU 334 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.48 3k1q n GLU 334 Cb 0.36 -2.50 0.00 0.00 0.00 0.00 0.00 31.44 29.29 3k1q n GLU 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3k1q n GLY 335 N 6.44 1.78 3.91 8.31 0.00 -1.26 -4.76 105.19 119.61 3k1q n GLY 335 Ca 0.44 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 3k1q n GLY 335 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k1q s ARG 336 N 0.00 3.57 -1.26 1.61 1.70 -1.26 -5.03 118.95 118.28 3k1q s ARG 336 Ca 0.00 -0.21 -0.20 0.00 -0.47 0.00 0.00 55.73 54.85 3k1q s ARG 336 Cb 0.00 -2.85 0.01 0.00 -0.57 0.00 0.00 34.95 31.54 3k1q s ARG 336 CO 0.00 0.44 1.82 -0.35 -1.08 0.00 0.00 175.30 176.13 3k1q n PRO 337 N -0.26 2.59 0.00 3.89 -0.04 -1.26 -4.81 135.00 135.11 3k1q n PRO 337 Ca -0.03 -2.95 0.00 0.00 -0.04 0.00 0.00 63.50 60.47 3k1q n PRO 337 Cb 0.53 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.41 3k1q n PRO 337 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3k1q n GLU 338 N 8.28 0.00 -0.17 0.54 2.13 -1.26 -4.62 120.64 125.54 3k1q n GLU 338 Ca 0.48 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.30 3k1q n GLU 338 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 3k1q n GLU 338 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3k1q n LEU 339 N 0.00 1.92 -0.34 4.31 4.77 -1.26 -4.59 117.00 121.80 3k1q n LEU 339 Ca 0.00 -0.87 -0.02 0.00 -0.03 0.00 0.00 56.01 55.10 3k1q n LEU 339 Cb 0.00 -0.40 0.14 0.00 -2.33 0.00 0.00 43.42 40.83 3k1q n LEU 339 CO 0.00 0.36 1.27 0.25 -1.33 0.00 0.00 177.39 177.94 3k1q h LEU 340 N 3.50 1.09 -1.17 2.23 5.85 -1.97 -0.45 115.31 124.38 3k1q h LEU 340 Ca 0.00 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.77 3k1q h LEU 340 Cb 0.37 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3k1q h LEU 340 CO 0.00 0.80 0.58 0.00 -0.34 0.00 0.00 178.44 179.48 3k1q h ALA 341 N 1.40 1.60 0.24 1.25 0.00 -1.81 -0.76 119.26 121.17 3k1q h ALA 341 Ca 0.34 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.92 3k1q h ALA 341 Cb -0.13 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.47 3k1q h ALA 341 CO -0.07 0.23 -1.42 -0.07 0.00 0.00 0.00 179.25 177.92 3k1q h LEU 342 N 0.93 0.79 -1.19 0.00 3.38 -1.70 -3.08 115.31 114.44 3k1q h LEU 342 Ca 0.41 -0.93 0.17 0.00 0.09 0.00 0.00 57.88 57.63 3k1q h LEU 342 Cb 0.36 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 3k1q h LEU 342 CO -0.17 1.68 0.61 0.00 0.09 0.00 0.00 178.44 180.64 3k1q h ALA 343 N 0.14 1.81 -2.13 1.53 0.00 -0.40 -3.38 119.26 116.82 3k1q h ALA 343 Ca -0.25 0.04 -0.44 0.00 0.00 0.00 0.00 54.91 54.26 3k1q h ALA 343 Cb 2.10 -0.10 -0.33 0.00 0.00 0.00 0.00 17.79 19.45 3k1q h ALA 343 CO 0.25 -0.11 -0.75 0.71 0.00 0.00 0.00 179.25 179.35 3k1q s TYR 344 N -5.73 0.07 0.38 0.00 1.51 -0.35 -2.26 117.35 110.97 3k1q s TYR 344 Ca -0.10 -1.20 0.20 0.00 -1.01 0.00 0.00 57.07 54.96 3k1q s TYR 344 Cb 0.23 -0.57 1.19 0.00 -0.11 0.00 0.00 41.96 42.70 3k1q s TYR 344 CO 0.80 -0.93 1.68 -1.35 -1.11 0.00 0.00 175.55 174.63 3k1q h PRO 345 N 6.82 0.26 0.00 -1.71 0.11 -1.72 -2.02 132.00 133.74 3k1q h PRO 345 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3k1q h PRO 345 Cb 1.02 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3k1q h PRO 345 CO 0.22 0.18 0.00 0.78 -0.21 0.00 0.00 178.00 178.97 3k1q h GLY 346 N 0.27 0.00 2.00 -0.55 0.00 -1.92 -2.37 103.07 100.51 3k1q h GLY 346 Ca 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 48.05 3k1q h GLY 346 CO -0.48 0.00 -0.01 3.21 0.00 0.00 0.00 176.54 179.26 3k1q h ARG 347 N 0.00 0.00 -6.09 4.80 2.47 -1.70 -3.42 114.38 110.44 3k1q h ARG 347 Ca 0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 3k1q h ARG 347 Cb 0.41 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.64 3k1q h ARG 347 CO 0.00 0.01 0.63 0.00 0.56 0.00 0.00 179.97 181.18 3k1q s ALA 348 N -3.79 3.46 0.00 0.04 0.00 -0.89 -5.01 121.76 115.57 3k1q s ALA 348 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3k1q s ALA 348 Cb 0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3k1q s ALA 348 CO 0.52 -1.49 0.00 0.28 0.00 0.00 0.00 175.76 175.07 3k1q n VAL 349 N 5.86 0.00 -3.15 0.00 0.31 -1.26 -4.91 118.33 115.18 3k1q n VAL 349 Ca 0.08 0.41 0.03 0.00 -0.01 0.00 0.00 64.34 64.84 3k1q n VAL 349 Cb 0.48 -1.28 -0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3k1q n VAL 349 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3k1q s LEU 350 N 0.00 -1.42 0.00 7.52 2.96 -1.26 -5.10 118.68 121.38 3k1q s LEU 350 Ca 0.00 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3k1q s LEU 350 Cb 0.00 1.85 0.00 0.00 0.50 0.00 0.00 46.19 48.54 3k1q s LEU 350 CO 0.00 -0.22 0.00 -0.81 -1.32 0.00 0.00 176.35 174.00 3k1q n PRO 351 N 4.97 0.00 0.00 0.98 -0.04 -1.26 -5.06 135.00 134.59 3k1q n PRO 351 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3k1q n PRO 351 Cb 0.56 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 3k1q n PRO 351 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3k1q n THR 352 N 0.00 0.00 -3.80 0.52 -2.24 -1.26 -5.08 114.28 102.42 3k1q n THR 352 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3k1q n THR 352 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 3k1q n THR 352 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n GLN 353 N 0.00 1.61 -4.59 -0.78 1.13 -1.26 -4.77 117.38 108.71 3k1q n GLN 353 Ca 0.00 -4.29 -0.28 0.00 -1.94 0.00 0.00 57.00 50.49 3k1q n GLN 353 Cb 0.00 -2.19 -0.08 0.00 0.11 0.00 0.00 30.24 28.08 3k1q n GLN 353 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3k1q s THR 354 N -1.28 0.88 0.29 5.09 -4.23 -1.26 -4.47 115.64 110.66 3k1q s THR 354 Ca 0.27 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 3k1q s THR 354 Cb -0.02 -2.35 0.14 0.00 1.34 0.00 0.00 72.50 71.61 3k1q s THR 354 CO -0.17 0.00 1.82 0.11 -0.54 0.00 0.00 174.62 175.84 3k1q h LYS 355 N 1.67 0.73 0.50 3.99 1.57 -1.29 0.19 116.57 123.94 3k1q h LYS 355 Ca -0.39 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.21 3k1q h LYS 355 Cb 1.28 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 3k1q h LYS 355 CO 0.64 0.71 -0.39 -2.95 -0.57 0.00 0.00 179.45 176.89 3k1q h ASN 356 N 0.70 -1.02 -0.90 0.86 -1.07 -1.53 -2.24 115.58 110.37 3k1q h ASN 356 Ca 0.15 0.07 0.16 0.00 0.07 0.00 0.00 56.30 56.75 3k1q h ASN 356 Cb 0.36 0.32 -0.07 0.00 -2.07 0.00 0.00 38.32 36.86 3k1q h ASN 356 CO 0.01 -0.57 0.58 0.00 0.07 0.00 0.00 177.43 177.52 3k1q h ALA 357 N -0.53 1.89 -0.51 4.14 0.00 -1.79 -2.30 119.26 120.15 3k1q h ALA 357 Ca -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3k1q h ALA 357 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3k1q h ALA 357 CO 0.00 -0.15 0.24 1.96 0.00 0.00 0.00 179.25 181.30 3k1q h GLN 358 N 0.64 0.71 -0.01 0.00 7.50 -0.08 0.15 115.11 124.02 3k1q h GLN 358 Ca 0.46 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.53 3k1q h GLN 358 Cb 0.82 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.21 3k1q h GLN 358 CO -0.22 0.56 -0.01 0.35 -1.50 0.00 0.00 178.83 178.00 3k1q h PHE 359 N 0.71 -0.03 -0.52 2.96 3.57 -1.26 -1.36 116.94 121.01 3k1q h PHE 359 Ca 0.18 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3k1q h PHE 359 Cb 0.09 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3k1q h PHE 359 CO 0.01 -0.02 0.20 1.25 -2.23 0.00 0.00 178.31 177.51 3k1q h LEU 360 N -0.02 0.72 -0.80 0.59 5.85 -1.14 -2.88 115.31 117.63 3k1q h LEU 360 Ca 0.01 -0.18 0.18 0.00 0.84 0.00 0.00 57.88 58.73 3k1q h LEU 360 Cb 0.04 -0.19 -0.15 0.00 0.37 0.00 0.00 40.66 40.73 3k1q h LEU 360 CO -0.03 0.71 -0.11 -1.28 -0.34 0.00 0.00 178.44 177.40 3k1q h SER 361 N 0.70 -0.58 0.43 1.25 0.87 -0.44 -2.35 113.55 113.43 3k1q h SER 361 Ca 0.17 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 3k1q h SER 361 Cb 0.22 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3k1q h SER 361 CO -0.01 -0.24 0.00 0.71 -0.53 0.00 0.00 176.83 176.75 3k1q h THR 362 N 0.04 0.00 -2.67 2.23 1.35 -1.04 -3.46 112.91 109.35 3k1q h THR 362 Ca 0.42 -0.21 -0.52 0.00 -0.55 0.00 0.00 66.41 65.55 3k1q h THR 362 Cb 0.70 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 3k1q h THR 362 CO -0.78 0.00 -0.36 0.00 -0.25 0.00 0.00 175.52 174.13 3k1q s ALA 363 N -3.89 3.86 -0.03 6.62 0.00 -0.88 -4.87 121.76 122.58 3k1q s ALA 363 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 3k1q s ALA 363 Cb 0.11 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3k1q s ALA 363 CO 0.45 0.38 0.04 0.96 0.00 0.00 0.00 175.76 177.59 3k1q s ILE 364 N -1.90 4.52 0.15 0.00 -4.36 -1.26 -4.96 121.20 113.39 3k1q s ILE 364 Ca 0.37 -0.39 -0.16 0.00 -0.26 0.00 0.00 60.65 60.21 3k1q s ILE 364 Cb -0.11 -3.01 0.02 0.00 1.25 0.00 0.00 42.46 40.61 3k1q s ILE 364 CO 0.30 0.43 1.80 0.00 0.24 0.00 0.00 174.94 177.71 3k1q h ALA 365 N 4.45 0.54 -0.89 2.27 0.00 -1.94 -3.23 119.26 120.46 3k1q h ALA 365 Ca -0.50 -0.05 0.37 0.00 0.00 0.00 0.00 54.91 54.74 3k1q h ALA 365 Cb 1.19 -0.17 -0.16 0.00 0.00 0.00 0.00 17.79 18.65 3k1q h ALA 365 CO 0.59 0.02 0.49 -0.40 0.00 0.00 0.00 179.25 179.95 3k1q n ASP 366 N -4.76 0.30 0.21 0.00 5.68 -1.26 -2.06 116.55 114.67 3k1q n ASP 366 Ca 0.01 1.45 0.05 0.00 -0.50 0.00 0.00 54.79 55.79 3k1q n ASP 366 Cb 0.04 -0.71 0.47 0.00 -1.14 0.00 0.00 41.12 39.78 3k1q n ASP 366 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3k1q h ARG 367 N 0.00 0.01 -6.01 0.11 2.47 -1.91 -3.42 114.38 105.63 3k1q h ARG 367 Ca 0.75 -0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 59.00 3k1q h ARG 367 Cb 2.00 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 30.27 3k1q h ARG 367 CO -0.67 0.23 1.16 0.96 0.56 0.00 0.00 179.97 182.21 3k1q s ILE 368 N -4.55 3.52 -5.00 2.04 -4.36 -0.87 -4.63 121.20 107.34 3k1q s ILE 368 Ca -0.04 -0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.34 3k1q s ILE 368 Cb 0.15 -4.29 0.00 0.00 1.25 0.00 0.00 42.46 39.58 3k1q s ILE 368 CO 0.70 -1.23 0.00 0.61 0.24 0.00 0.00 174.94 175.26 3k1q n GLY 369 N 6.06 0.85 3.63 6.27 0.00 -1.05 -4.73 105.19 116.22 3k1q n GLY 369 Ca 0.23 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3k1q n GLY 369 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k1q n ARG 370 N -0.42 2.38 -0.03 1.61 0.63 0.11 -0.29 116.66 120.65 3k1q n ARG 370 Ca 0.00 0.79 0.02 0.00 -0.92 0.00 0.00 57.85 57.74 3k1q n ARG 370 Cb 0.00 -3.07 -0.10 0.00 0.45 0.00 0.00 32.46 29.74 3k1q n ARG 370 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3k1q n LEU 371 N 9.33 0.00 -3.29 6.15 7.94 -0.60 -4.63 117.00 131.90 3k1q n LEU 371 Ca 0.25 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.18 3k1q n LEU 371 Cb 0.41 0.13 -0.04 0.00 0.53 0.00 0.00 43.42 44.45 3k1q n LEU 371 CO 0.68 0.13 0.74 -0.62 -1.11 0.00 0.00 177.39 177.21 3k1q s ASP 372 N -3.97 -0.35 -0.11 1.96 2.15 -0.65 -5.06 116.67 110.65 3k1q s ASP 372 Ca -0.05 0.46 0.03 0.00 0.43 0.00 0.00 52.55 53.41 3k1q s ASP 372 Cb 0.07 1.39 0.01 0.00 -0.30 0.00 0.00 42.92 44.08 3k1q s ASP 372 CO 0.55 -0.07 -0.20 0.00 -0.17 0.00 0.00 175.17 175.27 3k1q s ARG 373 N 2.32 2.74 -0.89 4.34 3.03 -1.26 0.01 118.95 129.23 3k1q s ARG 373 Ca -0.01 -0.76 -0.21 0.00 2.03 0.00 0.00 55.73 56.78 3k1q s ARG 373 Cb -0.04 -2.16 -0.23 0.00 -1.03 0.00 0.00 34.95 31.49 3k1q s ARG 373 CO -0.16 0.06 2.40 0.00 -1.13 0.00 0.00 175.30 176.47 3k1q n ALA 374 N 3.83 0.69 -0.12 7.88 0.00 0.02 -4.74 120.51 128.08 3k1q n ALA 374 Ca -0.20 -0.79 -0.08 0.00 0.00 0.00 0.00 53.44 52.37 3k1q n ALA 374 Cb 0.52 -2.64 0.07 0.00 0.00 0.00 0.00 19.45 17.40 3k1q n ALA 374 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3k1q h ASN 375 N 12.82 0.87 0.00 0.00 2.35 -1.95 -3.39 115.58 126.28 3k1q h ASN 375 Ca -0.03 -0.30 -0.20 0.00 -0.55 0.00 0.00 56.30 55.21 3k1q h ASN 375 Cb 1.18 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 39.32 3k1q h ASN 375 CO 1.38 1.03 1.76 0.18 -1.65 0.00 0.00 177.43 180.13 3k1q n LEU 376 N -4.13 2.34 -4.20 1.61 4.77 -1.26 -4.93 117.00 111.20 3k1q n LEU 376 Ca 0.01 -1.91 -0.35 0.00 -0.03 0.00 0.00 56.01 53.72 3k1q n LEU 376 Cb 0.42 -0.78 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 3k1q n LEU 376 CO 0.45 -0.42 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.11 3k1q s ILE 377 N 4.35 3.09 -0.27 -0.08 1.01 -1.26 -4.96 121.20 123.08 3k1q s ILE 377 Ca 0.21 -1.24 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 3k1q s ILE 377 Cb 0.05 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 3k1q s ILE 377 CO -0.00 -0.03 1.16 0.61 0.00 0.00 0.00 174.94 176.67 3k1q n GLY 378 N 4.66 -0.14 4.71 6.18 0.00 -1.26 -3.51 105.19 115.84 3k1q n GLY 378 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3k1q n GLY 378 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLY 379 N 4.08 1.75 2.50 -0.02 0.00 -1.26 -4.04 105.19 108.20 3k1q n GLY 379 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 3k1q n GLY 379 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k1q n GLU 380 N 0.00 1.26 -2.30 1.61 2.13 -1.23 -5.08 120.64 117.03 3k1q n GLU 380 Ca 0.00 -1.62 -0.38 0.00 0.66 0.00 0.00 57.16 55.82 3k1q n GLU 380 Cb 0.00 0.06 -0.03 0.00 0.27 0.00 0.00 31.44 31.74 3k1q n GLU 380 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3k1q s VAL 381 N -0.59 3.57 0.31 6.31 1.01 -1.26 -4.96 120.40 124.79 3k1q s VAL 381 Ca 0.12 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 3k1q s VAL 381 Cb 0.38 -4.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 3k1q s VAL 381 CO -0.10 -1.40 0.78 -0.94 0.00 0.00 0.00 175.10 173.45 3k1q s SER 382 N 6.05 6.95 -0.01 3.32 1.04 -1.26 -4.53 113.70 125.26 3k1q s SER 382 Ca 0.53 1.44 -0.14 0.00 0.48 0.00 0.00 55.95 58.26 3k1q s SER 382 Cb -0.09 -2.43 -0.34 0.00 0.10 0.00 0.00 66.02 63.26 3k1q s SER 382 CO 0.13 -0.14 0.86 0.00 0.98 0.00 0.00 173.24 175.07 3k1q h ALA 383 N 2.67 -0.03 -2.23 5.32 0.00 -1.84 -3.38 119.26 119.76 3k1q h ALA 383 Ca -0.48 -0.98 -0.07 0.00 0.00 0.00 0.00 54.91 53.38 3k1q h ALA 383 Cb 1.18 0.30 -0.21 0.00 0.00 0.00 0.00 17.79 19.06 3k1q h ALA 383 CO 0.65 0.82 0.01 0.00 0.00 0.00 0.00 179.25 180.73 3k1q s MET 384 N -2.59 0.80 -0.16 0.00 0.00 -1.26 -4.54 119.30 111.54 3k1q s MET 384 Ca -0.12 0.55 -0.05 0.00 0.00 0.00 0.00 55.69 56.07 3k1q s MET 384 Cb 0.05 0.38 -0.03 0.00 0.00 0.00 0.00 34.83 35.22 3k1q s MET 384 CO 0.91 -0.16 0.02 0.08 0.00 0.00 0.00 175.02 175.86 3k1q s VAL 385 N -0.30 4.39 -0.59 5.16 1.01 -0.24 -0.79 120.40 129.04 3k1q s VAL 385 Ca -0.05 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 3k1q s VAL 385 Cb -0.03 -2.95 0.15 0.00 0.00 0.00 0.00 36.38 33.55 3k1q s VAL 385 CO 0.04 0.49 0.54 -1.61 0.00 0.00 0.00 175.10 174.55 3k1q s GLU 386 N 0.26 3.06 -0.06 2.72 0.41 0.10 -1.25 118.70 123.93 3k1q s GLU 386 Ca 0.01 -1.87 0.02 0.00 -0.41 0.00 0.00 54.97 52.71 3k1q s GLU 386 Cb -0.13 -4.29 0.02 0.00 -1.78 0.00 0.00 34.13 27.95 3k1q s GLU 386 CO 0.01 -1.31 -0.09 0.00 -0.49 0.00 0.00 175.26 173.38 3k1q s MET 388 N 0.80 4.38 0.26 0.00 1.75 0.61 0.12 119.30 127.21 3k1q s MET 388 Ca -0.13 0.77 -0.00 0.00 -1.25 0.00 0.00 55.69 55.09 3k1q s MET 388 Cb -0.15 -3.47 0.00 0.00 2.84 0.00 0.00 34.83 34.05 3k1q s MET 388 CO 0.02 0.01 0.34 0.39 -0.65 0.00 0.00 175.02 175.13 3k1q n GLU 389 N 4.03 0.49 -2.33 4.11 1.02 -0.71 -2.51 120.64 124.74 3k1q n GLU 389 Ca -0.02 -2.18 -0.43 0.00 -0.02 0.00 0.00 57.16 54.51 3k1q n GLU 389 Cb 0.51 2.04 -0.02 0.00 -0.02 0.00 0.00 31.44 33.94 3k1q n GLU 389 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3k1q s LEU 390 N 0.00 3.80 0.08 -4.62 2.96 -0.96 -3.37 118.68 116.58 3k1q s LEU 390 Ca 0.23 1.19 -0.24 0.00 -0.22 0.00 0.00 54.13 55.09 3k1q s LEU 390 Cb -0.00 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.21 3k1q s LEU 390 CO 0.17 -1.22 0.59 0.00 -1.32 0.00 0.00 176.35 174.57 3k1q s ASP 392 N -2.21 6.20 0.37 0.00 1.01 -1.02 -2.92 116.67 118.09 3k1q s ASP 392 Ca -0.03 -0.54 0.19 0.00 0.71 0.00 0.00 52.55 52.87 3k1q s ASP 392 Cb -0.01 -2.22 1.21 0.00 1.01 0.00 0.00 42.92 42.92 3k1q s ASP 392 CO -0.05 -0.52 1.64 0.00 0.21 0.00 0.00 175.17 176.45 3k1q h ALA 393 N 8.65 2.14 0.65 5.23 0.00 -1.30 -0.63 119.26 134.01 3k1q h ALA 393 Ca -0.27 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3k1q h ALA 393 Cb 1.12 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3k1q h ALA 393 CO 0.77 -0.80 -0.43 1.25 0.00 0.00 0.00 179.25 180.04 3k1q h LEU 394 N 0.21 -1.11 -0.47 0.00 5.85 -1.94 -0.69 115.31 117.16 3k1q h LEU 394 Ca 0.77 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.66 3k1q h LEU 394 Cb 1.96 0.33 -0.10 0.00 0.37 0.00 0.00 40.66 43.22 3k1q h LEU 394 CO -0.61 -0.65 -0.21 0.74 -0.34 0.00 0.00 178.44 177.37 3k1q h THR 395 N -1.02 0.37 -0.13 1.05 2.02 -1.63 -0.63 112.91 112.94 3k1q h THR 395 Ca -0.09 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.12 3k1q h THR 395 Cb 0.83 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 3k1q h THR 395 CO 0.07 0.00 -0.51 0.25 0.37 0.00 0.00 175.52 175.69 3k1q h LEU 396 N -0.11 -1.63 -2.00 2.58 5.85 -1.14 0.34 115.31 119.19 3k1q h LEU 396 Ca 0.22 0.19 0.17 0.00 0.84 0.00 0.00 57.88 59.30 3k1q h LEU 396 Cb 0.45 0.64 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3k1q h LEU 396 CO -0.54 -0.46 0.46 0.45 -0.34 0.00 0.00 178.44 178.01 3k1q h HIS 397 N -0.55 0.00 0.81 1.25 3.86 -0.68 -1.12 115.15 118.72 3k1q h HIS 397 Ca 0.03 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3k1q h HIS 397 Cb 0.64 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.12 3k1q h HIS 397 CO -0.58 0.00 -0.39 0.82 0.86 0.00 0.00 177.93 178.64 3k1q h ILE 398 N 0.00 0.12 -0.63 2.45 2.04 -0.33 -2.73 117.51 118.43 3k1q h ILE 398 Ca 0.27 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 3k1q h ILE 398 Cb 1.19 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3k1q h ILE 398 CO -0.00 0.01 0.38 0.03 0.00 0.00 0.00 178.15 178.57 3k1q h ARG 399 N -1.20 0.86 -0.82 2.37 3.08 -0.69 -0.94 114.38 117.05 3k1q h ARG 399 Ca -0.11 -0.08 0.16 0.00 0.07 0.00 0.00 59.98 60.02 3k1q h ARG 399 Cb 0.84 -0.18 -0.10 0.00 0.08 0.00 0.00 29.97 30.61 3k1q h ARG 399 CO 0.18 0.62 0.36 0.93 -1.07 0.00 0.00 179.97 180.99 3k1q h GLU 400 N 0.86 0.47 -0.07 0.04 5.08 -1.26 0.66 114.58 120.37 3k1q h GLU 400 Ca 0.23 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 3k1q h GLU 400 Cb -0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3k1q h GLU 400 CO -0.04 0.31 -0.57 1.15 -1.00 0.00 0.00 179.01 178.86 3k1q h THR 401 N 0.49 1.38 -0.37 1.13 2.02 -1.17 0.48 112.91 116.86 3k1q h THR 401 Ca 0.47 -1.91 0.01 0.00 0.77 0.00 0.00 66.41 65.74 3k1q h THR 401 Cb 0.74 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 3k1q h THR 401 CO -0.42 0.56 0.24 0.22 0.37 0.00 0.00 175.52 176.49 3k1q h TYR 402 N 0.16 0.45 -0.10 3.16 3.20 -0.49 -1.65 116.97 121.69 3k1q h TYR 402 Ca -0.00 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.71 3k1q h TYR 402 Cb 1.05 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3k1q h TYR 402 CO 0.02 0.28 -0.66 -0.84 -1.64 0.00 0.00 178.16 175.32 3k1q h ILE 403 N 0.48 1.37 -0.80 1.81 -0.00 -0.36 -1.66 117.51 118.36 3k1q h ILE 403 Ca 0.14 -2.03 0.19 0.00 -0.00 0.00 0.00 64.86 63.16 3k1q h ILE 403 Cb -0.04 2.01 -0.13 0.00 -0.00 0.00 0.00 36.82 38.66 3k1q h ILE 403 CO -0.04 0.61 0.15 0.24 -0.00 0.00 0.00 178.15 179.12 3k1q h MET 404 N 0.28 0.20 0.01 0.16 2.86 -0.87 -0.41 114.93 117.16 3k1q h MET 404 Ca -0.02 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3k1q h MET 404 Cb 1.21 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 3k1q h MET 404 CO 0.11 0.13 -0.06 1.25 1.06 0.00 0.00 176.91 179.40 3k1q h LEU 405 N 0.20 -0.17 -0.35 1.22 5.85 -0.40 -1.39 115.31 120.27 3k1q h LEU 405 Ca 0.47 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.28 3k1q h LEU 405 Cb 0.87 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 3k1q h LEU 405 CO -0.61 -0.09 0.00 -0.07 -0.34 0.00 0.00 178.44 177.33 3k1q h LEU 406 N -0.11 -0.13 -0.47 2.25 3.38 -0.93 -1.52 115.31 117.78 3k1q h LEU 406 Ca 0.02 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k1q h LEU 406 Cb 0.14 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3k1q h LEU 406 CO -0.05 -0.03 0.29 -0.09 0.09 0.00 0.00 178.44 178.64 3k1q h ARG 407 N 0.10 0.64 -0.90 1.13 9.65 -0.73 -2.64 114.38 121.63 3k1q h ARG 407 Ca 0.17 -0.06 0.12 0.00 -1.10 0.00 0.00 59.98 59.11 3k1q h ARG 407 Cb 0.23 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.61 3k1q h ARG 407 CO -0.28 0.46 0.58 1.03 2.80 0.00 0.00 179.97 184.56 3k1q h SER 408 N 0.63 0.75 0.00 -3.80 0.87 -0.19 -0.60 113.55 111.20 3k1q h SER 408 Ca 0.17 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3k1q h SER 408 Cb -0.01 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3k1q h SER 408 CO -0.03 0.41 0.02 0.23 -0.53 0.00 0.00 176.83 176.92 3k1q n MET 409 N -4.56 0.00 -1.67 2.24 2.81 -1.00 -4.87 117.12 110.08 3k1q n MET 409 Ca 0.17 0.27 -0.38 0.00 -1.81 0.00 0.00 57.70 55.94 3k1q n MET 409 Cb 0.39 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 3k1q n MET 409 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 3k1q s HIS 410 N -2.51 1.22 0.15 2.03 5.04 -0.24 0.37 115.29 121.35 3k1q s HIS 410 Ca 0.00 1.16 -0.15 0.00 -1.54 0.00 0.00 55.06 54.53 3k1q s HIS 410 Cb 0.00 -3.77 -0.07 0.00 0.04 0.00 0.00 32.58 28.78 3k1q s HIS 410 CO 0.00 -2.89 0.56 -0.65 -2.34 0.00 0.00 174.74 169.43 3k1q s GLN 411 N 7.48 4.01 -0.05 2.88 -0.21 0.25 -4.88 119.66 129.14 3k1q s GLN 411 Ca 0.93 0.53 -0.11 0.00 0.02 0.00 0.00 55.36 56.73 3k1q s GLN 411 Cb -0.20 -2.94 -0.05 0.00 1.00 0.00 0.00 33.01 30.82 3k1q s GLN 411 CO 0.28 0.48 0.30 0.34 -2.12 0.00 0.00 175.29 174.56 3k1q s ASP 412 N -1.69 6.63 0.54 5.90 -1.08 -1.26 -4.54 116.67 121.17 3k1q s ASP 412 Ca 0.38 0.75 0.23 0.00 -0.52 0.00 0.00 52.55 53.39 3k1q s ASP 412 Cb -0.15 -2.17 1.41 0.00 -1.46 0.00 0.00 42.92 40.54 3k1q s ASP 412 CO 0.19 0.36 2.06 -0.65 0.52 0.00 0.00 175.17 177.65 3k1q h PRO 413 N 4.79 0.00 -0.35 4.34 0.11 -1.99 -1.89 132.00 137.01 3k1q h PRO 413 Ca -0.53 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.63 3k1q h PRO 413 Cb 1.22 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3k1q h PRO 413 CO 0.60 0.00 -0.52 1.79 -0.21 0.00 0.00 178.00 179.66 3k1q h THR 414 N 0.00 0.03 -0.77 -1.15 1.35 -1.94 -0.72 112.91 109.71 3k1q h THR 414 Ca 0.14 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.18 3k1q h THR 414 Cb 0.60 0.03 -0.12 0.00 -1.73 0.00 0.00 68.15 66.93 3k1q h THR 414 CO -0.00 0.00 0.15 1.56 -0.25 0.00 0.00 175.52 176.98 3k1q h GLN 415 N -0.42 0.22 -0.54 4.72 4.20 -1.76 -2.95 115.11 118.57 3k1q h GLN 415 Ca 0.08 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3k1q h GLN 415 Cb 0.61 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 3k1q h GLN 415 CO -0.56 0.14 0.32 0.82 -0.67 0.00 0.00 178.83 178.88 3k1q h ILE 416 N 0.22 1.03 -0.19 2.54 2.04 -1.06 -0.61 117.51 121.48 3k1q h ILE 416 Ca 0.44 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 66.11 3k1q h ILE 416 Cb 0.79 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3k1q h ILE 416 CO -0.57 0.11 -0.12 0.58 0.00 0.00 0.00 178.15 178.15 3k1q h VAL 417 N 0.62 0.00 -0.62 1.67 2.07 -1.16 -0.84 116.25 117.99 3k1q h VAL 417 Ca 0.22 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 3k1q h VAL 417 Cb 0.05 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.74 3k1q h VAL 417 CO -0.11 0.00 0.22 1.56 0.02 0.00 0.00 177.57 179.26 3k1q h GLN 418 N -0.01 0.38 0.00 1.57 4.20 -1.11 -0.01 115.11 120.14 3k1q h GLN 418 Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3k1q h GLN 418 Cb 0.09 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3k1q h GLN 418 CO -0.18 0.25 0.00 -0.89 -0.67 0.00 0.00 178.83 177.33 3k1q n ILE 419 N -5.02 0.00 -0.05 2.54 2.08 -0.41 -1.92 119.36 116.58 3k1q n ILE 419 Ca 0.09 1.31 -0.09 0.00 0.56 0.00 0.00 62.75 64.62 3k1q n ILE 419 Cb 0.29 -1.92 -0.02 0.00 -0.75 0.00 0.00 39.64 37.25 3k1q n ILE 419 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3k1q h VAL 420 N 0.00 0.93 -0.47 1.39 2.07 -0.77 -1.52 116.25 117.87 3k1q h VAL 420 Ca 0.00 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.56 3k1q h VAL 420 Cb 0.00 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.42 3k1q h VAL 420 CO 0.00 0.03 -0.21 0.78 0.02 0.00 0.00 177.57 178.19 3k1q h ASN 421 N 0.17 -0.72 -0.00 0.57 4.21 -1.13 -0.18 115.58 118.51 3k1q h ASN 421 Ca 0.10 0.17 0.02 0.00 1.21 0.00 0.00 56.30 57.80 3k1q h ASN 421 Cb 0.07 0.40 -0.02 0.00 -1.12 0.00 0.00 38.32 37.65 3k1q h ASN 421 CO -0.11 -0.24 -0.10 -0.33 -1.29 0.00 0.00 177.43 175.36 3k1q h GLU 422 N -0.10 -0.17 -1.00 0.81 5.08 -1.13 -2.89 114.58 115.18 3k1q h GLU 422 Ca 0.22 0.01 0.27 0.00 -1.00 0.00 0.00 59.36 58.87 3k1q h GLU 422 Cb 0.45 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.61 3k1q h GLU 422 CO -0.54 -0.11 0.57 0.00 -1.00 0.00 0.00 179.01 177.93 3k1q n ALA 424 N -2.31 2.13 -2.17 0.00 0.00 -0.11 -4.29 120.51 113.75 3k1q n ALA 424 Ca 0.29 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.45 3k1q n ALA 424 Cb 0.83 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.02 3k1q n ALA 424 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k1q n ASN 425 N -0.91 -5.45 0.00 0.00 3.02 -0.32 -1.28 115.26 110.32 3k1q n ASN 425 Ca 0.11 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 3k1q n ASN 425 Cb 0.05 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 3k1q n ASN 425 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3k1q n ASN 426 N -1.51 0.00 -0.25 6.41 3.02 -1.20 -4.91 115.26 116.82 3k1q n ASN 426 Ca -0.22 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.30 3k1q n ASN 426 Cb 0.66 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.97 3k1q n ASN 426 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3k1q h LEU 427 N 0.00 0.98 -8.54 3.41 3.38 -1.43 -1.87 115.31 111.24 3k1q h LEU 427 Ca 0.00 -0.12 -0.50 0.00 0.09 0.00 0.00 57.88 57.35 3k1q h LEU 427 Cb 0.00 -0.25 -0.22 0.00 0.09 0.00 0.00 40.66 40.27 3k1q h LEU 427 CO 0.00 0.84 -0.81 -0.22 0.09 0.00 0.00 178.44 178.34 3k1q s LEU 428 N -9.69 2.26 -0.21 1.67 2.96 -1.26 0.34 118.68 114.76 3k1q s LEU 428 Ca -0.11 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.19 3k1q s LEU 428 Cb 0.16 -0.75 0.04 0.00 0.50 0.00 0.00 46.19 46.14 3k1q s LEU 428 CO 0.82 0.03 -0.12 0.21 -1.32 0.00 0.00 176.35 175.96 3k1q s ASN 429 N -1.68 3.63 -1.03 3.68 2.47 0.53 -4.48 114.94 118.07 3k1q s ASN 429 Ca 0.03 -0.98 -0.02 0.00 0.42 0.00 0.00 52.86 52.31 3k1q s ASN 429 Cb -0.10 -1.36 0.27 0.00 -1.45 0.00 0.00 41.25 38.61 3k1q s ASN 429 CO 0.03 -0.13 2.03 -1.54 -3.72 0.00 0.00 177.10 173.77 3k1q n SER 430 N 4.60 7.48 -4.38 -4.21 3.41 -1.26 -1.05 113.62 118.22 3k1q n SER 430 Ca -0.16 -3.57 -0.63 0.00 -0.26 0.00 0.00 58.87 54.25 3k1q n SER 430 Cb 0.46 -1.20 -0.10 0.00 -0.26 0.00 0.00 64.21 63.12 3k1q n SER 430 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k1q n THR 431 N 0.28 0.00 -3.87 6.66 -2.24 -1.12 -4.57 114.28 109.41 3k1q n THR 431 Ca 0.51 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.94 3k1q n THR 431 Cb 0.27 -0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 67.90 3k1q n THR 431 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3k1q s ILE 432 N 3.40 3.09 0.61 2.28 1.01 -1.26 0.66 121.20 131.00 3k1q s ILE 432 Ca 1.02 -1.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 3k1q s ILE 432 Cb -1.41 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3k1q s ILE 432 CO 0.74 -0.23 1.22 -2.16 0.00 0.00 0.00 174.94 174.51 3k1q s PRO 433 N 1.24 2.86 -0.02 2.79 0.04 -1.26 -4.91 135.00 135.74 3k1q s PRO 433 Ca -0.02 1.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.68 3k1q s PRO 433 Cb -0.20 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.46 3k1q s PRO 433 CO -0.01 -1.30 0.38 -1.50 0.04 0.00 0.00 177.00 174.61 3k1q s ILE 434 N -1.62 0.05 0.29 0.56 1.10 -1.26 -4.89 121.20 115.42 3k1q s ILE 434 Ca 0.78 -0.39 0.08 0.00 -0.51 0.00 0.00 60.65 60.61 3k1q s ILE 434 Cb -0.31 -0.68 -0.04 0.00 0.15 0.00 0.00 42.46 41.58 3k1q s ILE 434 CO 0.35 -0.21 0.11 -0.44 -2.11 0.00 0.00 174.94 172.63 3k1q s SER 435 N -1.30 4.90 -1.24 4.50 0.01 -1.26 -5.04 113.70 114.26 3k1q s SER 435 Ca -0.13 -0.56 -0.19 0.00 1.31 0.00 0.00 55.95 56.38 3k1q s SER 435 Cb -0.04 -0.97 -0.00 0.00 0.21 0.00 0.00 66.02 65.21 3k1q s SER 435 CO 0.05 -0.11 1.91 -0.11 0.41 0.00 0.00 173.24 175.39 3k1q n LEU 436 N -1.07 4.76 -3.74 2.44 7.94 -1.26 -4.88 117.00 121.19 3k1q n LEU 436 Ca -0.06 -3.66 -0.30 0.00 -1.11 0.00 0.00 56.01 50.89 3k1q n LEU 436 Cb 0.59 -1.65 -0.15 0.00 0.53 0.00 0.00 43.42 42.74 3k1q n LEU 436 CO 0.42 -0.21 -0.33 -0.13 -1.11 0.00 0.00 177.39 176.04 3k1q s ARG 437 N 4.67 0.77 0.17 1.96 0.52 -1.26 -5.02 118.95 120.75 3k1q s ARG 437 Ca 0.57 -1.16 0.20 0.00 -0.52 0.00 0.00 55.73 54.82 3k1q s ARG 437 Cb 0.06 -2.04 0.84 0.00 0.52 0.00 0.00 34.95 34.33 3k1q s ARG 437 CO 0.07 -1.00 1.60 -0.35 0.02 0.00 0.00 175.30 175.64 3k1q n PRO 438 N 4.75 0.12 -0.84 3.54 -0.04 -1.26 -2.85 135.00 138.42 3k1q n PRO 438 Ca -0.01 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.71 3k1q n PRO 438 Cb 0.42 -1.75 0.17 0.00 -0.04 0.00 0.00 33.50 32.29 3k1q n PRO 438 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3k1q n THR 439 N -1.98 2.48 -3.44 0.52 -2.24 -1.26 -4.93 114.28 103.43 3k1q n THR 439 Ca 0.02 -1.32 -0.36 0.00 -2.27 0.00 0.00 64.05 60.13 3k1q n THR 439 Cb 0.19 -0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 67.81 3k1q n THR 439 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3k1q s ILE 440 N -2.38 4.95 -0.21 2.28 1.01 -1.13 -0.25 121.20 125.47 3k1q s ILE 440 Ca 0.41 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 61.79 3k1q s ILE 440 Cb 0.34 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 39.15 3k1q s ILE 440 CO 0.09 0.34 0.01 -0.22 0.00 0.00 0.00 174.94 175.17 3k1q s LEU 441 N -1.71 1.56 -0.86 2.97 2.96 -1.01 -4.91 118.68 117.68 3k1q s LEU 441 Ca 0.33 -0.93 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 3k1q s LEU 441 Cb -0.15 -0.75 0.29 0.00 0.50 0.00 0.00 46.19 46.07 3k1q s LEU 441 CO 0.18 -0.29 1.15 0.00 -1.32 0.00 0.00 176.35 176.07 3k1q s PRO 443 N -2.78 1.94 0.00 0.00 0.04 -1.24 -0.59 135.00 132.37 3k1q s PRO 443 Ca 0.36 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.63 3k1q s PRO 443 Cb 0.11 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.54 3k1q s PRO 443 CO 0.03 -4.58 0.00 0.91 0.04 0.00 0.00 177.00 173.40 3k1q n TRP 444 N 16.66 0.00 -2.44 0.56 8.01 0.16 -4.78 117.44 135.60 3k1q n TRP 444 Ca 0.43 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 56.21 3k1q n TRP 444 Cb 0.47 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.73 3k1q n TRP 444 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.69 176.80 3k1q s PHE 445 N -1.58 3.48 0.26 -5.99 5.36 -0.77 -4.67 117.98 114.06 3k1q s PHE 445 Ca 0.00 1.40 0.06 0.00 -0.96 0.00 0.00 56.93 57.44 3k1q s PHE 445 Cb 0.00 -3.38 -0.05 0.00 -0.34 0.00 0.00 43.02 39.24 3k1q s PHE 445 CO 0.00 -1.08 -0.06 0.00 -1.46 0.00 0.00 175.22 172.61 3k1q s ALA 446 N 0.54 2.19 0.03 11.12 0.00 -1.26 -4.61 121.76 129.77 3k1q s ALA 446 Ca 0.55 -1.83 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 3k1q s ALA 446 Cb -0.30 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 3k1q s ALA 446 CO 0.32 -0.08 0.26 0.45 0.00 0.00 0.00 175.76 176.71 3k1q s SER 447 N -3.40 6.46 0.52 0.00 0.15 -1.26 -4.79 113.70 111.38 3k1q s SER 447 Ca 0.28 0.49 0.29 0.00 0.70 0.00 0.00 55.95 57.71 3k1q s SER 447 Cb 0.03 -2.06 1.42 0.00 -1.71 0.00 0.00 66.02 63.70 3k1q s SER 447 CO 0.10 0.22 1.90 0.28 1.20 0.00 0.00 173.24 176.94 3k1q h SER 448 N 3.70 0.05 -0.82 5.45 0.02 -1.94 0.13 113.55 120.15 3k1q h SER 448 Ca -0.49 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.50 3k1q h SER 448 Cb 1.19 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 3k1q h SER 448 CO 0.69 0.02 0.53 -0.33 -1.14 0.00 0.00 176.83 176.59 3k1q h GLU 449 N 0.05 1.00 -0.36 3.45 5.08 -1.92 0.32 114.58 122.20 3k1q h GLU 449 Ca 0.41 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.58 3k1q h GLU 449 Cb 1.54 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3k1q h GLU 449 CO -0.03 0.66 -0.28 -0.44 -1.00 0.00 0.00 179.01 177.92 3k1q h ASP 450 N 1.03 0.87 0.34 1.42 3.32 -1.03 -1.51 116.42 120.86 3k1q h ASP 450 Ca 0.33 -0.45 -0.26 0.00 0.02 0.00 0.00 57.03 56.67 3k1q h ASP 450 Cb -0.00 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.32 3k1q h ASP 450 CO -0.11 1.13 -1.10 0.25 -1.72 0.00 0.00 179.24 177.69 3k1q h LEU 451 N 0.62 0.62 0.06 1.55 5.85 -1.11 -1.45 115.31 121.44 3k1q h LEU 451 Ca 0.07 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 3k1q h LEU 451 Cb 0.86 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3k1q h LEU 451 CO 0.07 1.38 -0.03 0.03 -0.34 0.00 0.00 178.44 179.55 3k1q h ARG 452 N 0.21 -0.08 -0.25 1.25 3.08 -0.75 0.26 114.38 118.10 3k1q h ARG 452 Ca -0.13 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3k1q h ARG 452 Cb 1.77 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.83 3k1q h ARG 452 CO 0.20 0.00 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.99 3k1q h LEU 453 N -0.14 0.36 -0.27 3.04 3.38 -1.13 0.18 115.31 120.73 3k1q h LEU 453 Ca -0.01 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3k1q h LEU 453 Cb 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3k1q h LEU 453 CO 0.01 0.45 -0.31 -0.61 0.09 0.00 0.00 178.44 178.08 3k1q h GLN 454 N 0.37 0.68 0.00 1.13 -0.00 -0.03 -2.52 115.11 114.75 3k1q h GLN 454 Ca 0.08 -0.37 -0.01 0.00 -0.00 0.00 0.00 58.65 58.34 3k1q h GLN 454 Cb 0.31 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.81 3k1q h GLN 454 CO 0.01 0.99 -0.07 1.96 0.00 0.00 0.00 178.83 181.72 3k1q h GLN 455 N 0.41 0.00 0.23 1.69 1.08 0.06 -2.47 115.11 116.11 3k1q h GLN 455 Ca 0.04 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3k1q h GLN 455 Cb 0.88 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.28 3k1q h GLN 455 CO 0.07 0.07 -0.29 0.28 -0.95 0.00 0.00 178.83 178.01 3k1q h VAL 456 N 0.00 0.38 -0.77 -0.54 2.07 -0.54 -1.84 116.25 115.01 3k1q h VAL 456 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3k1q h VAL 456 Cb 0.71 0.38 -0.14 0.00 -1.52 0.00 0.00 31.29 30.72 3k1q h VAL 456 CO 0.01 0.00 -0.25 -0.03 0.02 0.00 0.00 177.57 177.32 3k1q h MET 457 N -0.58 -0.04 0.00 1.57 1.85 -1.26 -1.41 114.93 115.06 3k1q h MET 457 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 3k1q h MET 457 Cb 0.55 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.59 3k1q h MET 457 CO -0.10 -0.02 -0.03 0.45 -0.40 0.00 0.00 176.91 176.81 3k1q h HIS 458 N -0.04 0.00 0.00 1.39 -0.00 -1.12 0.72 115.15 116.11 3k1q h HIS 458 Ca 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.66 3k1q h HIS 458 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 3k1q h HIS 458 CO -0.66 0.03 -0.29 -0.07 -0.00 0.00 0.00 177.93 176.94 3k1q h LEU 459 N 0.00 0.00 -1.69 2.43 3.38 -1.07 -2.86 115.31 115.51 3k1q h LEU 459 Ca -0.00 -0.81 0.18 0.00 0.09 0.00 0.00 57.88 57.34 3k1q h LEU 459 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3k1q h LEU 459 CO 0.00 1.07 0.53 0.58 0.09 0.00 0.00 178.44 180.71 3k1q h VAL 460 N -1.00 0.72 -0.43 1.22 2.07 0.12 -1.24 116.25 117.71 3k1q h VAL 460 Ca -0.08 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3k1q h VAL 460 Cb 0.99 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3k1q h VAL 460 CO -0.05 0.05 0.28 0.78 0.02 0.00 0.00 177.57 178.66 3k1q h ASN 461 N 0.29 0.49 0.13 0.57 2.35 0.57 -2.67 115.58 117.31 3k1q h ASN 461 Ca 0.38 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.12 3k1q h ASN 461 Cb 1.07 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.32 3k1q h ASN 461 CO -0.10 0.35 -0.06 0.40 -1.65 0.00 0.00 177.43 176.37 3k1q h ILE 462 N 0.57 0.87 -5.03 2.81 1.08 -1.03 -3.48 117.51 113.31 3k1q h ILE 462 Ca 0.16 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 3k1q h ILE 462 Cb -0.06 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3k1q h ILE 462 CO -0.03 0.00 0.00 -1.20 -0.69 0.00 0.00 178.15 176.23 3k1q n SER 463 N -5.16 0.00 -2.56 1.72 7.64 -1.01 -0.75 113.62 113.49 3k1q n SER 463 Ca -0.08 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.64 3k1q n SER 463 Cb 0.10 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3k1q n SER 463 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3k1q n SER 464 N 0.56 -4.39 -4.10 6.43 7.64 -1.26 -4.92 113.62 113.57 3k1q n SER 464 Ca 0.00 0.07 -0.34 0.00 1.01 0.00 0.00 58.87 59.61 3k1q n SER 464 Cb 0.00 -3.69 -0.14 0.00 -1.01 0.00 0.00 64.21 59.37 3k1q n SER 464 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3k1q s ASN 465 N -2.14 4.89 0.56 6.43 2.47 0.07 -4.97 114.94 122.25 3k1q s ASN 465 Ca 0.06 -1.72 0.25 0.00 0.42 0.00 0.00 52.86 51.87 3k1q s ASN 465 Cb -0.03 -1.70 1.53 0.00 -1.45 0.00 0.00 41.25 39.61 3k1q s ASN 465 CO 0.07 -0.36 2.12 0.71 -3.72 0.00 0.00 177.10 175.93 3k1q h THR 466 N 6.52 0.67 -0.00 -5.21 1.35 -1.91 -1.71 112.91 112.62 3k1q h THR 466 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3k1q h THR 466 Cb 1.04 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3k1q h THR 466 CO 0.56 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.84 3k1q h ALA 467 N 1.86 1.92 -0.74 6.62 0.00 -1.93 0.24 119.26 127.23 3k1q h ALA 467 Ca 0.08 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3k1q h ALA 467 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3k1q h ALA 467 CO -0.00 -0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.53 3k1q h ALA 468 N 2.00 1.10 -0.23 0.00 0.00 -1.63 -3.34 119.26 117.16 3k1q h ALA 468 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3k1q h ALA 468 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3k1q h ALA 468 CO -0.00 0.63 -0.51 0.00 0.00 0.00 0.00 179.25 179.38 3k1q h ALA 469 N 1.23 0.37 -0.03 0.00 0.00 -1.12 -3.36 119.26 116.35 3k1q h ALA 469 Ca 0.25 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3k1q h ALA 469 Cb 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3k1q h ALA 469 CO -0.02 0.55 0.01 -0.07 0.00 0.00 0.00 179.25 179.72 3k1q h LEU 470 N 0.48 0.04 -0.86 0.00 3.38 -1.43 -2.00 115.31 114.93 3k1q h LEU 470 Ca 0.00 -0.24 0.20 0.00 0.09 0.00 0.00 57.88 57.93 3k1q h LEU 470 Cb 1.12 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.74 3k1q h LEU 470 CO 0.11 0.28 0.36 -0.65 0.09 0.00 0.00 178.44 178.63 3k1q h PRO 471 N -0.19 0.40 -0.53 1.13 0.11 -1.77 -0.10 132.00 131.05 3k1q h PRO 471 Ca 0.01 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.13 3k1q h PRO 471 Cb 0.25 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 3k1q h PRO 471 CO 0.00 0.26 0.30 1.25 -0.21 0.00 0.00 178.00 179.61 3k1q h LEU 472 N 0.41 0.47 0.18 2.35 5.85 -1.62 0.52 115.31 123.48 3k1q h LEU 472 Ca 0.52 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.25 3k1q h LEU 472 Cb 0.94 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3k1q h LEU 472 CO -0.50 0.33 -0.09 -0.37 -0.34 0.00 0.00 178.44 177.47 3k1q h VAL 473 N 0.60 0.86 -0.61 1.05 -1.51 -0.88 -2.14 116.25 113.61 3k1q h VAL 473 Ca 0.22 -1.03 0.12 0.00 -1.23 0.00 0.00 66.70 64.79 3k1q h VAL 473 Cb 0.07 1.40 -0.11 0.00 -2.13 0.00 0.00 31.29 30.51 3k1q h VAL 473 CO -0.12 0.21 -0.12 -0.33 -1.23 0.00 0.00 177.57 175.97 3k1q h GLU 474 N -0.81 0.02 0.30 5.19 3.07 -0.88 -1.15 114.58 120.31 3k1q h GLU 474 Ca -0.02 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3k1q h GLU 474 Cb 0.52 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 3k1q h GLU 474 CO 0.04 0.01 -0.33 0.00 -1.40 0.00 0.00 179.01 177.33 3k1q h ALA 475 N 1.60 -0.99 -0.91 3.43 0.00 0.25 0.80 119.26 123.43 3k1q h ALA 475 Ca 0.30 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3k1q h ALA 475 Cb 0.47 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3k1q h ALA 475 CO -0.61 -1.02 0.56 1.37 0.00 0.00 0.00 179.25 179.55 3k1q h LEU 476 N -0.64 0.85 -1.03 0.00 8.10 -1.31 -0.65 115.31 120.63 3k1q h LEU 476 Ca -0.04 0.03 -0.08 0.00 0.11 0.00 0.00 57.88 57.90 3k1q h LEU 476 Cb 0.56 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.63 3k1q h LEU 476 CO -0.06 0.51 -0.21 0.28 -4.11 0.00 0.00 178.44 174.85 3k1q h SER 477 N 0.97 0.43 0.88 0.17 0.02 -0.95 0.20 113.55 115.28 3k1q h SER 477 Ca 0.42 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3k1q h SER 477 Cb 0.30 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.73 3k1q h SER 477 CO -0.22 0.66 -0.43 0.71 -1.14 0.00 0.00 176.83 176.41 3k1q h THR 478 N 0.40 0.12 0.20 -2.27 1.35 -0.61 -1.78 112.91 110.31 3k1q h THR 478 Ca 0.06 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.94 3k1q h THR 478 Cb 0.60 0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 67.09 3k1q h THR 478 CO 0.04 0.00 -0.38 -0.07 -0.25 0.00 0.00 175.52 174.86 3k1q h LEU 479 N -1.20 -1.09 -1.31 3.87 3.38 -0.90 0.76 115.31 118.82 3k1q h LEU 479 Ca -0.12 0.11 0.19 0.00 0.09 0.00 0.00 57.88 58.15 3k1q h LEU 479 Cb 0.92 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 41.99 3k1q h LEU 479 CO 0.19 -0.48 0.60 0.25 0.09 0.00 0.00 178.44 179.10 3k1q h LEU 480 N -0.66 0.58 -0.26 1.67 5.85 -0.72 -1.61 115.31 120.16 3k1q h LEU 480 Ca 0.01 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3k1q h LEU 480 Cb 0.66 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3k1q h LEU 480 CO -0.18 0.24 -0.37 -0.09 -0.34 0.00 0.00 178.44 177.70 3k1q h ARG 481 N 0.59 -0.26 -0.76 1.25 2.43 0.09 -1.00 114.38 116.71 3k1q h ARG 481 Ca 0.50 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.86 3k1q h ARG 481 Cb 0.99 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.47 3k1q h ARG 481 CO -0.24 -0.17 0.10 0.66 -1.51 0.00 0.00 179.97 178.80 3k1q h SER 482 N -0.27 -0.18 -0.32 -3.80 4.64 -1.06 -0.25 113.55 112.31 3k1q h SER 482 Ca 0.05 0.18 0.07 0.00 -0.47 0.00 0.00 61.79 61.62 3k1q h SER 482 Cb 0.40 0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3k1q h SER 482 CO -0.39 -0.13 0.23 0.58 -0.87 0.00 0.00 176.83 176.25 3k1q h VAL 483 N 0.17 0.90 -3.48 0.95 2.07 -0.67 -3.45 116.25 112.73 3k1q h VAL 483 Ca 0.43 -0.04 -0.62 0.00 0.82 0.00 0.00 66.70 67.29 3k1q h VAL 483 Cb 0.77 0.77 -0.13 0.00 -1.52 0.00 0.00 31.29 31.19 3k1q h VAL 483 CO -0.61 0.02 0.44 -0.89 0.02 0.00 0.00 177.57 176.55 3k1q s THR 484 N -5.14 4.55 -1.18 2.57 2.01 -0.11 -4.93 115.64 113.42 3k1q s THR 484 Ca -0.06 0.39 -0.21 0.00 0.31 0.00 0.00 61.69 62.11 3k1q s THR 484 Cb 0.18 -4.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 3k1q s THR 484 CO 0.71 -0.86 1.84 -2.16 -0.69 0.00 0.00 174.62 173.46 3k1q s PRO 485 N 3.53 3.03 0.04 4.92 0.04 -1.26 -4.95 135.00 140.35 3k1q s PRO 485 Ca 0.30 -1.32 0.03 0.00 0.04 0.00 0.00 61.00 60.06 3k1q s PRO 485 Cb -0.12 -5.32 -0.02 0.00 0.04 0.00 0.00 34.50 29.08 3k1q s PRO 485 CO 0.22 -3.27 -0.09 -1.17 0.04 0.00 0.00 177.00 172.72 3k1q s LEU 486 N 8.45 2.20 -0.40 -3.56 2.96 -1.26 -4.50 118.68 122.57 3k1q s LEU 486 Ca 0.63 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 3k1q s LEU 486 Cb 0.00 -0.31 0.11 0.00 0.50 0.00 0.00 46.19 46.49 3k1q s LEU 486 CO 0.08 -0.10 0.13 0.68 -1.32 0.00 0.00 176.35 175.82 3k1q s VAL 487 N -1.07 2.34 0.12 1.68 -7.23 -0.02 -4.99 120.40 111.23 3k1q s VAL 487 Ca -0.05 -2.67 -0.31 0.00 -1.81 0.00 0.00 61.98 57.14 3k1q s VAL 487 Cb -0.08 -2.69 -0.10 0.00 0.56 0.00 0.00 36.38 34.07 3k1q s VAL 487 CO 0.01 -0.68 1.67 -0.76 -0.31 0.00 0.00 175.10 175.04 3k1q s LEU 488 N 0.49 4.37 -0.58 1.32 1.43 -1.26 -0.04 118.68 124.42 3k1q s LEU 488 Ca 0.13 2.62 0.06 0.00 -1.03 0.00 0.00 54.13 55.92 3k1q s LEU 488 Cb -0.21 -3.58 0.27 0.00 0.03 0.00 0.00 46.19 42.70 3k1q s LEU 488 CO -0.06 -0.90 0.75 0.47 0.23 0.00 0.00 176.35 176.84 3k1q n ASP 489 N 4.98 3.18 -0.27 2.29 8.00 0.19 -4.94 116.55 129.99 3k1q n ASP 489 Ca 0.16 -3.35 0.25 0.00 0.71 0.00 0.00 54.79 52.56 3k1q n ASP 489 Cb 0.39 -0.64 0.60 0.00 -0.02 0.00 0.00 41.12 41.44 3k1q n ASP 489 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3k1q h PRO 490 N 3.87 0.24 -1.19 -0.24 0.11 -1.93 -2.86 132.00 130.00 3k1q h PRO 490 Ca 0.16 -0.01 0.34 0.00 0.11 0.00 0.00 66.00 66.60 3k1q h PRO 490 Cb 0.68 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.66 3k1q h PRO 490 CO 0.76 0.16 0.82 1.79 -0.21 0.00 0.00 178.00 181.31 3k1q h THR 491 N 0.25 0.39 -0.42 -1.15 1.35 -1.92 -0.20 112.91 111.21 3k1q h THR 491 Ca 0.51 -0.05 -0.05 0.00 -0.55 0.00 0.00 66.41 66.26 3k1q h THR 491 Cb 1.57 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 3k1q h THR 491 CO -0.15 0.03 0.05 0.58 -0.25 0.00 0.00 175.52 175.78 3k1q h VAL 492 N 0.16 1.25 -0.87 6.82 2.07 -1.92 0.61 116.25 124.37 3k1q h VAL 492 Ca 0.63 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3k1q h VAL 492 Cb 2.11 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 3k1q h VAL 492 CO -0.17 0.32 0.57 -0.07 0.02 0.00 0.00 177.57 178.24 3k1q h LEU 493 N 0.55 0.94 0.02 2.57 3.38 -1.23 -2.30 115.31 119.25 3k1q h LEU 493 Ca 0.12 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3k1q h LEU 493 Cb 0.41 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3k1q h LEU 493 CO 0.01 0.66 -0.20 0.74 0.09 0.00 0.00 178.44 179.74 3k1q h THR 494 N 1.10 0.54 -0.46 0.22 2.02 -0.81 -1.19 112.91 114.33 3k1q h THR 494 Ca 0.34 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.40 3k1q h THR 494 Cb -0.01 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3k1q h THR 494 CO -0.10 0.00 -0.20 -1.13 0.37 0.00 0.00 175.52 174.46 3k1q h ASN 495 N -0.33 0.93 0.03 4.18 -1.24 -1.20 -2.76 115.58 115.20 3k1q h ASN 495 Ca 0.05 -0.34 0.01 0.00 0.71 0.00 0.00 56.30 56.73 3k1q h ASN 495 Cb 0.39 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 3k1q h ASN 495 CO -0.17 1.10 -0.09 0.00 -1.29 0.00 0.00 177.43 176.98 3k1q h ALA 496 N 0.97 -0.12 -0.21 1.57 0.00 -0.63 -2.61 119.26 118.22 3k1q h ALA 496 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k1q h ALA 496 Cb 0.75 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3k1q h ALA 496 CO 0.06 -0.59 0.14 0.82 0.00 0.00 0.00 179.25 179.67 3k1q h ILE 497 N -0.18 1.05 -0.72 0.00 2.04 -1.45 -2.87 117.51 115.39 3k1q h ILE 497 Ca 0.03 -0.10 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3k1q h ILE 497 Cb 0.21 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 3k1q h ILE 497 CO -0.08 0.05 0.32 0.71 0.00 0.00 0.00 178.15 179.15 3k1q h THR 498 N 0.28 0.76 -0.40 -0.27 1.35 -1.27 -2.81 112.91 110.55 3k1q h THR 498 Ca 0.08 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 3k1q h THR 498 Cb -0.03 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 66.57 3k1q h THR 498 CO -0.02 0.09 0.22 0.71 -0.25 0.00 0.00 175.52 176.28 3k1q h THR 499 N 0.51 1.14 -3.22 6.82 1.35 -1.37 -3.43 112.91 114.72 3k1q h THR 499 Ca 0.37 -0.36 -0.57 0.00 -0.55 0.00 0.00 66.41 65.30 3k1q h THR 499 Cb 0.48 0.66 -0.35 0.00 -1.73 0.00 0.00 68.15 67.22 3k1q h THR 499 CO -0.33 0.15 -0.83 0.27 -0.25 0.00 0.00 175.52 174.53 3k1q s ILE 500 N -5.90 1.40 -0.36 6.82 -5.25 -1.06 -5.00 121.20 111.85 3k1q s ILE 500 Ca -0.13 -0.56 0.07 0.00 -0.99 0.00 0.00 60.65 59.04 3k1q s ILE 500 Cb 0.10 -1.31 0.28 0.00 2.95 0.00 0.00 42.46 44.48 3k1q s ILE 500 CO 0.73 0.43 1.26 -1.54 -1.79 0.00 0.00 174.94 174.03 3k1q n SER 501 N 4.48 -1.58 0.00 4.36 3.41 -1.26 -4.65 113.62 118.37 3k1q n SER 501 Ca -0.17 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 3k1q n SER 501 Cb 0.51 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 3k1q n SER 501 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k1q n GLU 502 N -0.64 0.00 0.00 4.33 1.02 -1.26 -4.79 120.64 119.30 3k1q n GLU 502 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3k1q n GLU 502 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.20 3k1q n GLU 502 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3k1q n SER 503 N 1.74 0.00 -4.56 1.62 3.41 -1.26 -5.04 113.62 109.52 3k1q n SER 503 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3k1q n SER 503 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3k1q n SER 503 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3k1q s THR 504 N 1.77 3.14 -0.76 6.66 -4.23 -1.26 -4.86 115.64 116.10 3k1q s THR 504 Ca 0.00 0.10 -0.24 0.00 -1.18 0.00 0.00 61.69 60.37 3k1q s THR 504 Cb 0.00 -3.30 -0.15 0.00 1.34 0.00 0.00 72.50 70.39 3k1q s THR 504 CO 0.00 -0.27 2.40 0.41 -0.54 0.00 0.00 174.62 176.62 3k1q n THR 505 N 7.71 -0.02 -0.94 3.99 -1.04 -1.26 -3.43 114.28 119.30 3k1q n THR 505 Ca 0.30 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 3k1q n THR 505 Cb 0.52 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 3k1q n THR 505 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1q n GLN 506 N 8.42 0.00 -1.44 -2.82 -0.00 -1.26 -5.11 117.38 115.16 3k1q n GLN 506 Ca 0.48 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 57.16 3k1q n GLN 506 Cb 0.40 0.00 0.08 0.00 -0.00 0.00 0.00 30.24 30.72 3k1q n GLN 506 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3k1q s THR 507 N 0.00 2.92 -0.34 -0.39 -4.23 -1.22 -5.02 115.64 107.35 3k1q s THR 507 Ca 0.00 0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 60.85 3k1q s THR 507 Cb 0.00 -2.85 0.06 0.00 1.34 0.00 0.00 72.50 71.05 3k1q s THR 507 CO 0.00 -0.31 0.09 -0.51 -0.54 0.00 0.00 174.62 173.36 3k1q s ILE 508 N -2.44 3.47 0.00 2.99 1.10 -1.26 -4.16 121.20 120.91 3k1q s ILE 508 Ca 0.67 -1.36 0.00 0.00 -0.51 0.00 0.00 60.65 59.45 3k1q s ILE 508 Cb -0.22 -3.04 0.00 0.00 0.15 0.00 0.00 42.46 39.35 3k1q s ILE 508 CO 0.48 -0.25 0.00 -1.54 -2.11 0.00 0.00 174.94 171.52 3k1q n SER 509 N 4.72 0.00 0.00 4.50 3.41 -1.26 -4.92 113.62 120.07 3k1q n SER 509 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3k1q n SER 509 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3k1q n SER 509 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3k1q n PRO 510 N 0.00 0.00 -0.10 4.33 -0.04 -1.26 -3.41 135.00 134.52 3k1q n PRO 510 Ca 0.00 0.12 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 3k1q n PRO 510 Cb 0.00 -1.04 0.44 0.00 -0.04 0.00 0.00 33.50 32.86 3k1q n PRO 510 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3k1q h ILE 511 N 0.00 0.97 -0.60 0.52 1.08 -1.91 0.26 117.51 117.83 3k1q h ILE 511 Ca 0.00 -0.19 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 3k1q h ILE 511 Cb 0.00 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 3k1q h ILE 511 CO 0.00 0.10 0.16 0.77 -0.69 0.00 0.00 178.15 178.49 3k1q h SER 512 N 0.55 0.89 -0.78 1.72 4.64 -1.75 -2.70 113.55 116.11 3k1q h SER 512 Ca 0.27 -0.22 0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3k1q h SER 512 Cb 0.34 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 3k1q h SER 512 CO -0.08 0.87 0.46 1.05 -0.87 0.00 0.00 176.83 178.27 3k1q h GLU 513 N 0.85 0.82 -0.07 4.77 4.11 -0.50 0.10 114.58 124.67 3k1q h GLU 513 Ca 0.19 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.59 3k1q h GLU 513 Cb 0.32 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3k1q h GLU 513 CO -0.00 0.54 -0.05 0.82 0.07 0.00 0.00 179.01 180.39 3k1q h ILE 514 N 0.84 0.84 -0.76 -1.06 2.04 -1.54 -1.79 117.51 116.08 3k1q h ILE 514 Ca 0.35 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.33 3k1q h ILE 514 Cb 0.19 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 3k1q h ILE 514 CO -0.18 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.26 3k1q h LEU 515 N -0.07 0.43 -0.44 1.44 3.38 -0.80 -1.90 115.31 117.36 3k1q h LEU 515 Ca 0.05 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3k1q h LEU 515 Cb 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3k1q h LEU 515 CO -0.11 0.21 0.12 0.03 0.09 0.00 0.00 178.44 178.78 3k1q h ARG 516 N 0.57 0.70 -0.53 1.13 3.08 -0.54 -0.53 114.38 118.26 3k1q h ARG 516 Ca 0.40 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 60.17 3k1q h ARG 516 Cb 0.51 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3k1q h ARG 516 CO -0.33 0.69 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.07 3k1q h LEU 517 N 0.58 1.03 0.00 3.04 3.38 -0.83 -3.24 115.31 119.27 3k1q h LEU 517 Ca 0.14 -0.36 -0.15 0.00 0.09 0.00 0.00 57.88 57.60 3k1q h LEU 517 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3k1q h LEU 517 CO -0.00 1.15 -0.89 -0.07 0.09 0.00 0.00 178.44 178.72 3k1q h LEU 518 N 0.90 0.00 -2.79 1.67 3.38 -1.29 -3.49 115.31 113.69 3k1q h LEU 518 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3k1q h LEU 518 Cb 0.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.46 3k1q h LEU 518 CO 0.05 0.66 -0.80 0.00 0.09 0.00 0.00 178.44 178.44 3k1q n GLN 519 N -3.17 -2.21 -0.54 1.13 6.02 -0.21 -4.80 117.38 113.59 3k1q n GLN 519 Ca -0.02 1.85 0.43 0.00 -0.01 0.00 0.00 57.00 59.25 3k1q n GLN 519 Cb 0.82 -4.19 0.70 0.00 1.02 0.00 0.00 30.24 28.59 3k1q n GLN 519 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3k1q n PRO 520 N -0.21 -0.02 -0.40 -1.09 -0.02 -1.26 -1.26 135.00 130.74 3k1q n PRO 520 Ca 0.03 1.10 0.33 0.00 -2.02 0.00 0.00 63.50 62.94 3k1q n PRO 520 Cb 0.54 -2.33 0.63 0.00 -0.02 0.00 0.00 33.50 32.31 3k1q n PRO 520 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3k1q h MET 521 N 0.00 0.17 0.00 -0.52 2.86 -1.95 -3.46 114.93 112.03 3k1q h MET 521 Ca 0.85 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.48 3k1q h MET 521 Cb 3.06 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 34.68 3k1q h MET 521 CO -0.25 0.11 0.00 0.41 1.06 0.00 0.00 176.91 178.25 3k1q n GLY 522 N -1.57 0.00 0.73 8.32 0.00 -0.39 -4.80 105.19 107.49 3k1q n GLY 522 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3k1q n GLY 522 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k1q n ASN 523 N 0.00 1.55 -2.70 1.61 6.94 -1.26 -3.95 115.26 117.45 3k1q n ASN 523 Ca 0.00 -1.60 -0.06 0.00 -0.02 0.00 0.00 54.58 52.90 3k1q n ASN 523 Cb 0.00 -0.40 0.08 0.00 -2.36 0.00 0.00 39.78 37.10 3k1q n ASN 523 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3k1q n ASP 524 N 0.33 -1.88 -0.33 0.53 5.68 -1.26 -5.00 116.55 114.63 3k1q n ASP 524 Ca 0.00 -2.58 0.34 0.00 -0.50 0.00 0.00 54.79 52.05 3k1q n ASP 524 Cb 0.29 1.36 0.73 0.00 -1.14 0.00 0.00 41.12 42.37 3k1q n ASP 524 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 3k1q h TYR 525 N 3.04 0.06 -0.04 2.11 0.99 -2.00 -2.93 116.97 118.21 3k1q h TYR 525 Ca -0.21 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.55 3k1q h TYR 525 Cb 1.15 -0.02 -0.03 0.00 1.00 0.00 0.00 36.73 38.83 3k1q h TYR 525 CO -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 178.16 178.03 3k1q h ALA 526 N 1.43 -0.11 -1.01 3.88 0.00 -1.95 -2.89 119.26 118.60 3k1q h ALA 526 Ca 0.57 0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.74 3k1q h ALA 526 Cb 2.21 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 20.13 3k1q h ALA 526 CO -0.04 -0.60 0.63 0.00 0.00 0.00 0.00 179.25 179.24 3k1q h ALA 527 N 0.81 1.98 -0.28 0.00 0.00 -1.94 -1.08 119.26 118.73 3k1q h ALA 527 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 527 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3k1q h ALA 527 CO -0.15 -0.39 0.00 1.19 0.00 0.00 0.00 179.25 179.90 3k1q n PHE 528 N -4.73 0.00 -0.34 0.00 0.99 -1.09 -1.70 117.46 110.59 3k1q n PHE 528 Ca 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.72 3k1q n PHE 528 Cb 0.76 -0.45 0.19 0.00 -1.00 0.00 0.00 39.48 38.98 3k1q n PHE 528 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.76 179.11 3k1q h TRP 529 N 0.00 1.14 -0.31 1.38 2.91 -1.50 -2.70 115.95 116.87 3k1q h TRP 529 Ca 0.00 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.10 3k1q h TRP 529 Cb 0.00 -0.38 -0.08 0.00 -0.51 0.00 0.00 29.16 28.19 3k1q h TRP 529 CO -0.10 0.63 -0.53 -0.22 -1.03 0.00 0.00 178.44 177.19 3k1q h LYS 530 N 1.15 -0.43 -0.71 2.65 3.11 -1.27 -0.36 116.57 120.71 3k1q h LYS 530 Ca 0.39 0.03 0.10 0.00 -2.81 0.00 0.00 60.65 58.36 3k1q h LYS 530 Cb 0.09 0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 31.35 3k1q h LYS 530 CO -0.14 -0.29 0.34 0.00 -2.81 0.00 0.00 179.45 176.56 3k1q h ILE 532 N 0.57 0.51 -1.01 0.00 2.04 -1.38 -1.88 117.51 116.37 3k1q h ILE 532 Ca 0.36 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.46 3k1q h ILE 532 Cb 0.40 0.51 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 3k1q h ILE 532 CO -0.29 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.50 3k1q h ALA 533 N 0.29 2.09 0.00 1.87 0.00 -0.43 -0.51 119.26 122.57 3k1q h ALA 533 Ca 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3k1q h ALA 533 Cb 0.44 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k1q h ALA 533 CO -0.09 -0.47 -0.10 0.77 0.00 0.00 0.00 179.25 179.35 3k1q h SER 534 N 0.48 0.00 -0.78 0.00 0.02 -0.24 -1.79 113.55 111.24 3k1q h SER 534 Ca 0.58 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.63 3k1q h SER 534 Cb 1.32 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.80 3k1q h SER 534 CO -0.31 0.10 0.51 4.11 -1.14 0.00 0.00 176.83 180.11 3k1q h TRP 535 N 0.00 0.70 0.00 3.45 -0.00 -1.01 -2.57 115.95 116.52 3k1q h TRP 535 Ca -0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 3k1q h TRP 535 Cb 0.19 -0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 29.12 3k1q h TRP 535 CO 0.00 0.31 -0.14 0.00 -0.00 0.00 0.00 178.44 178.61 3k1q h ALA 536 N 1.62 0.98 -0.42 0.11 0.00 -1.47 -3.34 119.26 116.72 3k1q h ALA 536 Ca 0.37 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3k1q h ALA 536 Cb 0.55 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 3k1q h ALA 536 CO -0.14 0.17 -0.31 -0.92 0.00 0.00 0.00 179.25 178.06 3k1q h TYR 537 N 0.00 -0.98 0.00 0.00 3.20 -1.56 -3.45 116.97 114.18 3k1q h TYR 537 Ca -0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3k1q h TYR 537 Cb 0.78 0.48 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3k1q h TYR 537 CO 0.00 -0.22 0.00 -1.71 -1.64 0.00 0.00 178.16 174.59 3k1q n ASN 538 N -4.18 0.00 -4.55 -2.11 5.15 -1.25 -4.52 115.26 103.80 3k1q n ASN 538 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.58 3k1q n ASN 538 Cb 0.15 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 38.97 3k1q n ASN 538 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3k1q s GLY 539 N -0.80 0.87 0.00 8.20 0.00 -0.60 -4.57 107.32 110.43 3k1q s GLY 539 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3k1q s GLY 539 CO 0.00 2.74 0.00 -0.10 0.00 0.00 0.00 173.10 175.74 3k1q n LEU 540 N 9.67 0.00 -4.57 0.66 7.94 -1.26 -4.77 117.00 124.67 3k1q n LEU 540 Ca 0.10 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.76 3k1q n LEU 540 Cb 0.50 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.38 3k1q n LEU 540 CO 0.70 0.00 1.34 -0.69 -1.11 0.00 0.00 177.39 177.63 3k1q s VAL 541 N 0.00 3.38 0.08 1.96 1.01 -1.21 -3.04 120.40 122.58 3k1q s VAL 541 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 3k1q s VAL 541 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3k1q s VAL 541 CO 0.00 -0.75 0.41 0.42 0.00 0.00 0.00 175.10 175.18 3k1q s THR 542 N 11.54 5.08 -0.12 3.92 -4.23 0.44 -4.00 115.64 128.27 3k1q s THR 542 Ca 0.74 0.49 -0.16 0.00 -1.18 0.00 0.00 61.69 61.58 3k1q s THR 542 Cb -0.06 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 3k1q s THR 542 CO 0.05 0.29 0.39 0.42 -0.54 0.00 0.00 174.62 175.24 3k1q s THR 543 N -1.39 5.21 0.07 3.99 -4.23 -1.26 0.24 115.64 118.27 3k1q s THR 543 Ca 0.33 0.77 0.08 0.00 -1.18 0.00 0.00 61.69 61.69 3k1q s THR 543 Cb -0.14 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 69.94 3k1q s THR 543 CO 0.18 0.39 -0.19 0.68 -0.54 0.00 0.00 174.62 175.14 3k1q s VAL 544 N 0.30 2.70 -0.08 2.29 -7.23 0.20 -0.49 120.40 118.10 3k1q s VAL 544 Ca 0.22 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.77 3k1q s VAL 544 Cb -0.14 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 3k1q s VAL 544 CO 0.08 0.27 1.58 -0.76 -0.31 0.00 0.00 175.10 175.96 3k1q s LEU 545 N -1.63 4.28 0.29 1.32 1.43 -1.26 -0.00 118.68 123.10 3k1q s LEU 545 Ca 0.15 2.11 -0.29 0.00 -1.03 0.00 0.00 54.13 55.07 3k1q s LEU 545 Cb -0.10 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 3k1q s LEU 545 CO 0.06 -0.91 1.10 -0.55 0.23 0.00 0.00 176.35 176.28 3k1q s SER 546 N 3.13 7.24 0.48 2.29 0.15 -1.19 -4.90 113.70 120.89 3k1q s SER 546 Ca 0.70 2.27 0.24 0.00 0.70 0.00 0.00 55.95 59.86 3k1q s SER 546 Cb -0.31 -2.63 1.27 0.00 -1.71 0.00 0.00 66.02 62.65 3k1q s SER 546 CO 0.27 -0.17 1.89 -0.33 1.20 0.00 0.00 173.24 176.10 3k1q h GLU 547 N 3.75 0.20 -0.36 5.44 5.08 -1.94 -2.34 114.58 124.40 3k1q h GLU 547 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3k1q h GLU 547 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3k1q h GLU 547 CO 0.67 0.13 0.00 -0.25 -1.00 0.00 0.00 179.01 178.56 3k1q n ASP 548 N -4.40 0.36 -0.02 1.42 9.92 -1.26 -1.79 116.55 120.78 3k1q n ASP 548 Ca 0.18 -1.63 -0.18 0.00 -0.53 0.00 0.00 54.79 52.62 3k1q n ASP 548 Cb 0.79 -0.18 -0.14 0.00 -0.64 0.00 0.00 41.12 40.95 3k1q n ASP 548 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3k1q n ALA 549 N -0.24 1.09 -1.93 2.24 0.00 -0.88 -5.00 120.51 115.80 3k1q n ALA 549 Ca 0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 53.44 52.31 3k1q n ALA 549 Cb 0.09 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3k1q n ALA 549 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3k1q s PHE 550 N -2.56 3.08 -0.03 0.00 0.40 -0.74 -4.94 117.98 113.20 3k1q s PHE 550 Ca -0.20 1.00 -0.33 0.00 -0.60 0.00 0.00 56.93 56.80 3k1q s PHE 550 Cb 0.07 -3.79 -0.11 0.00 0.51 0.00 0.00 43.02 39.70 3k1q s PHE 550 CO 0.76 -2.61 1.89 -2.30 0.70 0.00 0.00 175.22 173.66 3k1q n PRO 551 N 2.72 2.38 -2.35 0.24 -0.02 -1.26 -4.98 135.00 131.74 3k1q n PRO 551 Ca 0.08 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 62.08 3k1q n PRO 551 Cb 0.41 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 31.13 3k1q n PRO 551 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k1q s ASP 552 N 3.92 5.92 -1.63 2.55 1.11 -1.26 -3.85 116.67 123.42 3k1q s ASP 552 Ca 0.90 2.10 -0.02 0.00 0.18 0.00 0.00 52.55 55.72 3k1q s ASP 552 Cb -0.62 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 40.80 3k1q s ASP 552 CO 0.48 -1.08 0.18 -1.54 1.18 0.00 0.00 175.17 174.38 3k1q n SER 553 N -1.19 -5.70 0.00 0.27 3.41 -1.26 -3.73 113.62 105.43 3k1q n SER 553 Ca 0.11 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3k1q n SER 553 Cb 0.51 -4.71 0.00 0.00 -0.26 0.00 0.00 64.21 59.76 3k1q n SER 553 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3k1q n SER 554 N -2.14 0.00 -0.11 4.04 2.88 -1.25 -4.92 113.62 112.12 3k1q n SER 554 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 3k1q n SER 554 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 3k1q n SER 554 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k1q n GLN 555 N 0.00 0.00 -3.86 -1.46 1.13 -1.24 -3.14 117.38 108.80 3k1q n GLN 555 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3k1q n GLN 555 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.25 3k1q n GLN 555 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3k1q s SER 556 N -4.00 -0.02 0.00 1.08 0.15 -1.26 -4.38 113.70 105.28 3k1q s SER 556 Ca 0.00 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.60 3k1q s SER 556 Cb 0.00 0.23 0.23 0.00 -1.71 0.00 0.00 66.02 64.77 3k1q s SER 556 CO 0.00 -0.31 1.04 0.00 1.20 0.00 0.00 173.24 175.17 3k1q n ILE 557 N 1.75 1.22 -0.28 6.45 0.13 0.15 -3.21 119.36 125.56 3k1q n ILE 557 Ca -0.21 0.30 0.26 0.00 -1.10 0.00 0.00 62.75 62.00 3k1q n ILE 557 Cb 0.56 -1.23 0.47 0.00 -0.84 0.00 0.00 39.64 38.61 3k1q n ILE 557 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3k1q n THR 558 N -1.36 -0.37 -2.12 9.51 -2.24 -1.26 -4.47 114.28 111.97 3k1q n THR 558 Ca 0.02 1.79 -0.36 0.00 -2.27 0.00 0.00 64.05 63.23 3k1q n THR 558 Cb 0.04 -2.86 -0.04 0.00 -2.10 0.00 0.00 70.33 65.38 3k1q n THR 558 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3k1q s HIS 559 N -5.40 1.81 0.24 4.78 3.76 -1.20 -4.88 115.29 114.40 3k1q s HIS 559 Ca -0.08 0.57 0.10 0.00 -0.15 0.00 0.00 55.06 55.49 3k1q s HIS 559 Cb 0.29 -4.16 0.78 0.00 1.11 0.00 0.00 32.58 30.59 3k1q s HIS 559 CO 0.68 -2.11 1.06 -0.11 -0.85 0.00 0.00 174.74 173.41 3k1q n LEU 560 N 12.55 0.13 -0.03 0.89 7.94 -1.26 -1.40 117.00 135.81 3k1q n LEU 560 Ca 0.25 1.13 -0.10 0.00 -1.11 0.00 0.00 56.01 56.18 3k1q n LEU 560 Cb 0.50 -0.50 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3k1q n LEU 560 CO 0.68 -1.22 0.92 1.55 -1.11 0.00 0.00 177.39 178.21 3k1q h PRO 561 N 0.00 0.18 -0.87 1.96 0.13 -1.96 -3.20 132.00 128.24 3k1q h PRO 561 Ca 0.52 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.63 3k1q h PRO 561 Cb 1.29 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 3k1q h PRO 561 CO -0.56 0.12 0.51 0.77 -0.23 0.00 0.00 178.00 178.61 3k1q h SER 562 N 0.18 1.05 -0.08 1.44 0.02 -1.65 -2.05 113.55 112.45 3k1q h SER 562 Ca 0.07 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3k1q h SER 562 Cb 0.02 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.23 3k1q h SER 562 CO -0.05 0.82 -0.47 0.24 -1.14 0.00 0.00 176.83 176.22 3k1q h MET 563 N 1.20 -0.55 0.11 3.45 2.86 -1.23 -1.51 114.93 119.26 3k1q h MET 563 Ca 0.31 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 58.00 3k1q h MET 563 Cb -0.03 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3k1q h MET 563 CO -0.06 -0.36 -0.15 -1.49 1.06 0.00 0.00 176.91 175.91 3k1q h TRP 564 N -0.57 -0.40 -0.53 -0.22 -0.00 -1.40 -1.82 115.95 111.02 3k1q h TRP 564 Ca 0.05 0.01 0.10 0.00 -0.00 0.00 0.00 58.89 59.04 3k1q h TRP 564 Cb 0.67 0.16 -0.11 0.00 -0.00 0.00 0.00 29.16 29.88 3k1q h TRP 564 CO -0.51 -0.23 -0.33 0.87 -0.00 0.00 0.00 178.44 178.25 3k1q h LYS 565 N -0.31 -0.18 -0.69 0.49 1.57 -1.35 0.31 116.57 116.41 3k1q h LYS 565 Ca 0.02 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3k1q h LYS 565 Cb 0.32 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3k1q h LYS 565 CO -0.07 -0.12 0.33 0.00 -0.57 0.00 0.00 179.45 179.01 3k1q h LEU 567 N 0.96 -0.03 0.65 0.00 3.38 -0.78 0.94 115.31 120.42 3k1q h LEU 567 Ca 0.24 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 3k1q h LEU 567 Cb 0.13 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3k1q h LEU 567 CO -0.03 -0.04 -0.49 -0.26 0.09 0.00 0.00 178.44 177.72 3k1q h PHE 568 N 0.25 -1.32 -0.51 1.13 0.04 0.17 -2.62 116.94 114.08 3k1q h PHE 568 Ca 0.39 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.25 3k1q h PHE 568 Cb 0.65 0.49 -0.10 0.00 2.20 0.00 0.00 35.95 39.18 3k1q h PHE 568 CO -0.27 -0.69 -0.28 1.25 -0.60 0.00 0.00 178.31 177.72 3k1q h LEU 569 N -1.09 -0.97 -0.61 1.54 5.85 -0.57 -1.44 115.31 118.03 3k1q h LEU 569 Ca -0.08 0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3k1q h LEU 569 Cb 0.90 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 3k1q h LEU 569 CO 0.03 -0.29 0.31 0.71 -0.34 0.00 0.00 178.44 178.87 3k1q h THR 570 N -0.16 0.93 -0.26 1.05 1.35 -0.75 0.20 112.91 115.27 3k1q h THR 570 Ca 0.22 -0.20 -0.12 0.00 -0.55 0.00 0.00 66.41 65.76 3k1q h THR 570 Cb 0.52 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 3k1q h THR 570 CO -0.60 0.11 -0.33 -0.07 -0.25 0.00 0.00 175.52 174.37 3k1q h LEU 571 N 0.58 0.58 -0.39 3.87 3.38 -1.24 -3.24 115.31 118.85 3k1q h LEU 571 Ca 0.28 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3k1q h LEU 571 Cb 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3k1q h LEU 571 CO -0.20 0.87 -0.46 0.00 0.09 0.00 0.00 178.44 178.75 3k1q h ALA 572 N 1.16 0.79 -0.09 1.53 0.00 -0.96 -3.41 119.26 118.28 3k1q h ALA 572 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3k1q h ALA 572 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3k1q h ALA 572 CO 0.07 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.30 3k1q n GLY 573 N 0.83 -2.10 0.02 0.00 0.00 0.67 -1.04 105.19 103.56 3k1q n GLY 573 Ca 0.01 0.40 0.02 0.00 0.00 0.00 0.00 46.02 46.45 3k1q n GLY 573 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k1q n PRO 574 N -2.58 0.02 -0.70 1.61 -0.04 -1.26 -2.70 135.00 129.35 3k1q n PRO 574 Ca 0.00 0.47 -0.12 0.00 -0.04 0.00 0.00 63.50 63.81 3k1q n PRO 574 Cb 0.00 -1.55 0.05 0.00 -0.04 0.00 0.00 33.50 31.96 3k1q n PRO 574 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3k1q n MET 575 N -1.58 1.60 -4.82 0.54 2.81 -0.21 -4.78 117.12 110.68 3k1q n MET 575 Ca 0.01 -1.26 -0.32 0.00 -1.81 0.00 0.00 57.70 54.31 3k1q n MET 575 Cb 0.04 -1.49 -0.13 0.00 -0.71 0.00 0.00 33.22 30.92 3k1q n MET 575 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3k1q s THR 576 N -1.68 3.04 0.50 2.03 -4.23 -1.10 -4.47 115.64 109.73 3k1q s THR 576 Ca 0.25 -0.82 0.31 0.00 -1.18 0.00 0.00 61.69 60.25 3k1q s THR 576 Cb 0.20 -2.22 0.34 0.00 1.34 0.00 0.00 72.50 72.16 3k1q s THR 576 CO 0.01 0.53 2.18 0.28 -0.54 0.00 0.00 174.62 177.08 3k1q h SER 577 N 5.13 0.00 -1.36 3.99 0.02 -1.57 -3.43 113.55 116.33 3k1q h SER 577 Ca -0.47 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.81 3k1q h SER 577 Cb 1.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 3k1q h SER 577 CO 0.50 0.05 1.25 -0.67 -1.14 0.00 0.00 176.83 176.82 3k1q n ASP 578 N -3.61 2.43 -0.25 3.07 2.03 0.36 -4.75 116.55 115.82 3k1q n ASP 578 Ca -0.02 0.66 0.03 0.00 0.52 0.00 0.00 54.79 55.98 3k1q n ASP 578 Cb 0.16 -1.25 0.16 0.00 -0.72 0.00 0.00 41.12 39.46 3k1q n ASP 578 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3k1q h PRO 579 N 10.66 0.55 0.00 -0.67 0.13 -1.91 -3.14 132.00 137.62 3k1q h PRO 579 Ca -0.35 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3k1q h PRO 579 Cb 1.31 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3k1q h PRO 579 CO 0.99 0.36 0.00 0.72 -0.23 0.00 0.00 178.00 179.85 3k1q n HIS 580 N -4.90 0.00 -0.24 1.56 8.25 -1.26 -4.29 115.22 114.34 3k1q n HIS 580 Ca 0.12 0.00 0.32 0.00 -0.26 0.00 0.00 57.72 57.90 3k1q n HIS 580 Cb 0.32 -0.50 0.74 0.00 1.12 0.00 0.00 29.99 31.67 3k1q n HIS 580 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3k1q h SER 581 N 0.00 0.00 -0.35 0.41 0.02 -1.91 -1.10 113.55 110.62 3k1q h SER 581 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3k1q h SER 581 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3k1q h SER 581 CO 0.00 0.00 0.10 -0.65 -1.14 0.00 0.00 176.83 175.14 3k1q h PRO 582 N 0.00 0.63 -0.13 3.45 0.11 -1.89 0.68 132.00 134.85 3k1q h PRO 582 Ca 0.48 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 66.44 3k1q h PRO 582 Cb 1.98 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.98 3k1q h PRO 582 CO -0.01 0.58 -0.07 0.28 -0.21 0.00 0.00 178.00 178.57 3k1q h VAL 583 N 0.61 1.32 -0.38 3.15 2.07 -1.53 -1.01 116.25 120.48 3k1q h VAL 583 Ca 0.14 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.62 3k1q h VAL 583 Cb 0.24 1.78 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 3k1q h VAL 583 CO -0.00 0.33 -0.25 0.11 0.02 0.00 0.00 177.57 177.78 3k1q h LYS 584 N -0.06 -0.18 -0.13 1.57 1.79 -1.15 0.24 116.57 118.64 3k1q h LYS 584 Ca 0.03 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 3k1q h LYS 584 Cb 0.55 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.17 3k1q h LYS 584 CO 0.02 -0.12 -0.52 0.28 -1.08 0.00 0.00 179.45 178.03 3k1q h VAL 585 N -0.19 0.03 -0.04 0.50 2.07 -0.28 -0.72 116.25 117.61 3k1q h VAL 585 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 3k1q h VAL 585 Cb 0.48 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 3k1q h VAL 585 CO -0.49 0.00 -0.27 0.15 0.02 0.00 0.00 177.57 176.98 3k1q h PHE 586 N -0.57 -0.72 0.00 1.57 3.57 -0.90 -3.18 116.94 116.70 3k1q h PHE 586 Ca 0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3k1q h PHE 586 Cb 0.68 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 3k1q h PHE 586 CO -0.57 -0.36 -0.13 1.98 -2.23 0.00 0.00 178.31 177.01 3k1q h MET 587 N -0.39 0.00 -0.24 1.11 4.05 -0.08 -0.97 114.93 118.40 3k1q h MET 587 Ca 0.08 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.41 3k1q h MET 587 Cb 0.49 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3k1q h MET 587 CO -0.26 0.13 -0.18 0.00 0.23 0.00 0.00 176.91 176.82 3k1q h ALA 588 N 1.87 0.35 -0.60 0.39 0.00 -1.12 -0.68 119.26 119.47 3k1q h ALA 588 Ca -0.00 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.59 3k1q h ALA 588 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3k1q h ALA 588 CO 0.02 0.27 0.36 1.25 0.00 0.00 0.00 179.25 181.15 3k1q h LEU 589 N 0.27 0.57 -1.01 0.00 5.85 -1.21 -3.00 115.31 116.78 3k1q h LEU 589 Ca 0.05 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3k1q h LEU 589 Cb 0.72 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3k1q h LEU 589 CO 0.05 0.40 0.67 0.00 -0.34 0.00 0.00 178.44 179.21 3k1q h ALA 590 N 1.27 1.28 -0.94 1.25 0.00 -1.17 -0.41 119.26 120.55 3k1q h ALA 590 Ca 0.24 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.25 3k1q h ALA 590 Cb 0.04 -0.41 -0.10 0.00 0.00 0.00 0.00 17.79 17.33 3k1q h ALA 590 CO -0.11 0.66 0.54 -0.91 0.00 0.00 0.00 179.25 179.43 3k1q h ASN 591 N 1.36 0.69 1.25 0.00 4.21 -1.06 -2.03 115.58 120.00 3k1q h ASN 591 Ca 0.37 0.09 -0.12 0.00 1.21 0.00 0.00 56.30 57.85 3k1q h ASN 591 Cb -0.15 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 3k1q h ASN 591 CO -0.08 0.28 -0.78 -0.07 -1.29 0.00 0.00 177.43 175.49 3k1q h LEU 592 N 0.74 0.00 -0.29 1.61 3.38 -1.18 -2.21 115.31 117.35 3k1q h LEU 592 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3k1q h LEU 592 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3k1q h LEU 592 CO -0.36 0.49 0.00 0.18 0.09 0.00 0.00 178.44 178.84 3k1q n LEU 593 N -3.10 0.16 -4.76 1.67 4.77 -0.25 0.31 117.00 115.80 3k1q n LEU 593 Ca -0.01 0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 56.15 3k1q n LEU 593 Cb 0.75 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3k1q n LEU 593 CO 0.41 -0.50 0.91 0.00 -1.33 0.00 0.00 177.39 176.88 3k1q s ALA 594 N -3.12 2.90 0.00 -1.18 0.00 -0.82 -3.25 121.76 116.28 3k1q s ALA 594 Ca 0.02 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3k1q s ALA 594 Cb 0.05 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3k1q s ALA 594 CO 0.15 -1.01 0.00 1.04 0.00 0.00 0.00 175.76 175.94 3k1q n GLN 595 N -0.76 0.00 0.14 0.00 6.02 -1.26 -4.64 117.38 116.87 3k1q n GLN 595 Ca 0.09 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3k1q n GLN 595 Cb 0.47 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.87 3k1q n GLN 595 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3k1q h PRO 596 N 0.00 0.00 -4.20 -1.09 0.13 -1.90 -3.46 132.00 121.47 3k1q h PRO 596 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 3k1q h PRO 596 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 3k1q h PRO 596 CO 0.00 0.62 -0.74 -1.21 -0.23 0.00 0.00 178.00 176.44 3k1q s GLU 597 N -3.39 0.34 -0.28 0.86 2.02 -1.20 -5.11 118.70 111.95 3k1q s GLU 597 Ca -0.00 -0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.50 3k1q s GLU 597 Cb 0.11 -0.31 0.01 0.00 0.10 0.00 0.00 34.13 34.04 3k1q s GLU 597 CO 0.75 0.08 1.13 -2.14 0.02 0.00 0.00 175.26 175.10 3k1q s PRO 598 N -0.23 4.10 -0.30 0.39 0.02 -1.26 -4.63 135.00 133.10 3k1q s PRO 598 Ca 0.00 1.24 -0.29 0.00 0.02 0.00 0.00 61.00 61.97 3k1q s PRO 598 Cb -0.02 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 30.76 3k1q s PRO 598 CO -0.00 -0.86 1.27 0.42 -0.33 0.00 0.00 177.00 177.50 3k1q s ILE 599 N 3.66 4.19 -0.65 2.83 1.09 -1.26 -4.93 121.20 126.12 3k1q s ILE 599 Ca 0.48 1.35 -0.26 0.00 -1.10 0.00 0.00 60.65 61.13 3k1q s ILE 599 Cb -0.15 -4.20 -0.12 0.00 -1.06 0.00 0.00 42.46 36.94 3k1q s ILE 599 CO 0.15 -0.48 2.43 0.00 -0.10 0.00 0.00 174.94 176.93 3k1q n ALA 600 N 7.50 0.60 -1.53 9.38 0.00 -1.26 -4.88 120.51 130.33 3k1q n ALA 600 Ca 0.14 -1.07 -0.57 0.00 0.00 0.00 0.00 53.44 51.94 3k1q n ALA 600 Cb 0.47 -3.15 -0.07 0.00 0.00 0.00 0.00 19.45 16.69 3k1q n ALA 600 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3k1q n ILE 601 N 8.17 0.00 -0.07 0.00 2.08 -1.26 -4.94 119.36 123.33 3k1q n ILE 601 Ca 0.44 -0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.70 3k1q n ILE 601 Cb 0.46 -0.22 -0.15 0.00 -0.75 0.00 0.00 39.64 38.98 3k1q n ILE 601 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k1q n GLY 602 N 1.79 -0.90 3.18 7.39 0.00 -1.26 -5.00 105.19 110.39 3k1q n GLY 602 Ca 0.20 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 3k1q n GLY 602 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1q s VAL 603 N -2.62 1.41 0.29 1.61 1.01 -1.26 -4.55 120.40 116.28 3k1q s VAL 603 Ca -0.09 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3k1q s VAL 603 Cb 0.07 -1.18 0.28 0.00 0.00 0.00 0.00 36.38 35.55 3k1q s VAL 603 CO 0.76 0.36 1.77 -0.65 0.00 0.00 0.00 175.10 177.33 3k1q h PRO 604 N 5.58 0.68 -0.07 2.72 0.11 -2.01 0.30 132.00 139.32 3k1q h PRO 604 Ca -0.38 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 3k1q h PRO 604 Cb 1.15 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3k1q h PRO 604 CO 0.48 0.45 -0.17 0.78 -0.21 0.00 0.00 178.00 179.33 3k1q h GLY 605 N 0.70 0.12 -7.37 -0.55 0.00 -2.01 -3.42 103.07 90.54 3k1q h GLY 605 Ca 0.54 -0.07 -0.68 0.00 0.00 0.00 0.00 47.33 47.12 3k1q h GLY 605 CO -0.38 0.07 -0.21 -0.29 0.00 0.00 0.00 176.54 175.72 3k1q s MET 606 N -4.65 3.27 0.39 4.80 -2.45 0.11 -4.97 119.30 115.80 3k1q s MET 606 Ca -0.05 -0.61 0.08 0.00 -1.25 0.00 0.00 55.69 53.86 3k1q s MET 606 Cb 0.15 -3.91 -0.02 0.00 1.25 0.00 0.00 34.83 32.30 3k1q s MET 606 CO 0.72 -0.75 0.34 -1.01 1.05 0.00 0.00 175.02 175.37 3k1q s HIS 607 N 2.14 2.76 0.56 4.11 3.76 -1.26 -4.30 115.29 123.06 3k1q s HIS 607 Ca 0.13 -0.43 0.25 0.00 -0.15 0.00 0.00 55.06 54.85 3k1q s HIS 607 Cb -0.17 -2.04 1.53 0.00 1.11 0.00 0.00 32.58 33.01 3k1q s HIS 607 CO 0.13 -0.01 2.12 1.96 -0.85 0.00 0.00 174.74 178.09 3k1q h GLN 608 N 1.11 0.00 0.00 1.40 4.20 -1.97 -2.77 115.11 117.08 3k1q h GLN 608 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3k1q h GLN 608 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3k1q h GLN 608 CO 0.58 0.00 -1.29 0.25 -0.67 0.00 0.00 178.83 177.70 3k1q n THR 609 N -4.13 0.42 -1.95 -0.54 -2.24 -1.26 -4.56 114.28 100.02 3k1q n THR 609 Ca 0.01 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 3k1q n THR 609 Cb 0.27 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 3k1q n THR 609 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3k1q s THR 610 N -3.40 3.37 0.53 4.28 2.01 -1.05 -4.74 115.64 116.64 3k1q s THR 610 Ca -0.02 0.32 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 3k1q s THR 610 Cb 0.11 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 3k1q s THR 610 CO 0.82 -0.51 0.71 -2.65 -0.69 0.00 0.00 174.62 172.31 3k1q n PRO 611 N 8.74 0.76 0.28 4.92 -0.02 -1.26 -4.88 135.00 143.54 3k1q n PRO 611 Ca 0.24 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3k1q n PRO 611 Cb 0.49 -1.84 0.82 0.00 -0.02 0.00 0.00 33.50 32.96 3k1q n PRO 611 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q h ALA 612 N 0.61 1.58 -0.91 3.55 0.00 -1.91 -2.80 119.26 119.38 3k1q h ALA 612 Ca -0.45 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.56 3k1q h ALA 612 Cb 1.38 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 3k1q h ALA 612 CO 0.50 0.03 0.53 0.66 0.00 0.00 0.00 179.25 180.98 3k1q h SER 613 N 0.00 0.73 0.00 0.00 4.64 -1.98 0.12 113.55 117.07 3k1q h SER 613 Ca -0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3k1q h SER 613 Cb 0.06 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3k1q h SER 613 CO 0.00 0.36 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 3k1q n GLN 614 N -4.74 0.73 -2.29 4.77 3.00 -1.06 -4.46 117.38 113.34 3k1q n GLN 614 Ca 0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.76 3k1q n GLN 614 Cb 0.38 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.13 3k1q n GLN 614 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k1q n PHE 615 N -1.00 2.68 1.60 1.08 3.01 0.40 -4.73 117.46 120.49 3k1q n PHE 615 Ca 0.18 -2.70 0.09 0.00 1.01 0.00 0.00 57.45 56.03 3k1q n PHE 615 Cb 0.08 -1.53 0.42 0.00 -0.01 0.00 0.00 39.48 38.44 3k1q n PHE 615 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3k1q n SER 616 N 0.88 0.84 -3.91 4.37 3.41 -1.26 -4.89 113.62 113.06 3k1q n SER 616 Ca 0.55 -1.61 -0.16 0.00 -0.26 0.00 0.00 58.87 57.39 3k1q n SER 616 Cb 0.25 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.00 3k1q n SER 616 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3k1q s HIS 617 N -1.88 0.40 0.40 7.33 5.65 -1.26 -4.87 115.29 121.06 3k1q s HIS 617 Ca 0.28 -0.07 0.19 0.00 0.25 0.00 0.00 55.06 55.71 3k1q s HIS 617 Cb 0.14 -0.33 1.12 0.00 -1.18 0.00 0.00 32.58 32.33 3k1q s HIS 617 CO 0.22 -0.06 1.77 -1.35 -0.65 0.00 0.00 174.74 174.67 3k1q h PRO 618 N 6.46 0.37 -0.46 2.88 0.11 -1.94 -1.38 132.00 138.04 3k1q h PRO 618 Ca -0.32 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.90 3k1q h PRO 618 Cb 1.18 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3k1q h PRO 618 CO 0.49 0.24 0.75 0.41 -0.21 0.00 0.00 178.00 179.68 3k1q n GLY 619 N -1.48 -0.44 0.00 -0.55 0.00 -1.26 -1.83 105.19 99.64 3k1q n GLY 619 Ca 0.26 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.53 3k1q n GLY 619 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k1q n VAL 620 N -2.31 0.00 -1.54 1.61 0.24 -0.52 -4.95 118.33 110.86 3k1q n VAL 620 Ca 0.10 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 61.94 3k1q n VAL 620 Cb 0.88 0.95 -0.05 0.00 -1.47 0.00 0.00 33.84 34.15 3k1q n VAL 620 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 3k1q n TRP 621 N -1.52 1.55 -1.63 6.34 7.02 -0.76 -4.85 117.44 123.59 3k1q n TRP 621 Ca 0.03 0.10 -0.42 0.00 -1.02 0.00 0.00 57.50 56.20 3k1q n TRP 621 Cb 0.33 -2.62 0.01 0.00 -2.42 0.00 0.00 31.31 26.60 3k1q n TRP 621 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 3k1q n PRO 622 N 8.72 1.50 -0.16 -0.99 -0.02 -1.26 -4.82 135.00 137.98 3k1q n PRO 622 Ca 0.38 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 62.32 3k1q n PRO 622 Cb 0.40 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3k1q n PRO 622 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3k1q h PRO 623 N 1.76 0.64 -0.24 0.52 0.13 -1.89 -1.95 132.00 130.97 3k1q h PRO 623 Ca -0.44 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 64.69 3k1q h PRO 623 Cb 1.33 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3k1q h PRO 623 CO 0.58 0.49 0.37 0.78 -0.23 0.00 0.00 178.00 179.99 3k1q h GLY 624 N 0.61 0.00 0.35 1.56 0.00 -1.90 0.87 103.07 104.55 3k1q h GLY 624 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3k1q h GLY 624 CO -0.03 0.00 -0.03 -2.75 0.00 0.00 0.00 176.54 173.74 3k1q h PHE 625 N 0.00 -0.07 -0.69 5.60 3.57 -1.72 -2.88 116.94 120.76 3k1q h PHE 625 Ca 0.12 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3k1q h PHE 625 Cb 0.86 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 3k1q h PHE 625 CO 0.00 0.51 0.46 -0.07 -2.23 0.00 0.00 178.31 176.98 3k1q h LEU 626 N -0.73 0.76 -6.98 0.59 3.38 -0.83 -3.27 115.31 108.23 3k1q h LEU 626 Ca -0.01 -0.02 -0.62 0.00 0.09 0.00 0.00 57.88 57.33 3k1q h LEU 626 Cb 0.61 -0.18 -0.41 0.00 0.09 0.00 0.00 40.66 40.77 3k1q h LEU 626 CO 0.01 0.54 -0.68 0.21 0.09 0.00 0.00 178.44 178.62 3k1q s ASN 627 N -6.39 3.96 0.44 -0.43 3.84 0.25 -4.98 114.94 111.64 3k1q s ASN 627 Ca -0.10 -3.42 0.24 0.00 0.21 0.00 0.00 52.86 49.79 3k1q s ASN 627 Cb 0.18 -1.33 0.91 0.00 -0.55 0.00 0.00 41.25 40.46 3k1q s ASN 627 CO 0.77 -0.15 1.82 1.55 -2.79 0.00 0.00 177.10 178.31 3k1q h PRO 628 N 5.78 0.00 -1.00 0.43 0.13 -1.57 -2.91 132.00 132.87 3k1q h PRO 628 Ca 0.11 0.00 0.41 0.00 -0.87 0.00 0.00 66.00 65.65 3k1q h PRO 628 Cb 0.83 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.79 3k1q h PRO 628 CO 0.62 0.22 0.56 0.94 -0.23 0.00 0.00 178.00 180.10 3k1q n GLN 629 N -3.38 -0.05 -0.33 0.86 0.00 -1.26 0.48 117.38 113.70 3k1q n GLN 629 Ca 0.00 1.30 0.06 0.00 -0.00 0.00 0.00 57.00 58.37 3k1q n GLN 629 Cb 0.43 -2.36 0.25 0.00 0.00 0.00 0.00 30.24 28.56 3k1q n GLN 629 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3k1q h LEU 630 N 0.00 0.89 -8.72 1.69 5.85 -1.86 -3.43 115.31 109.74 3k1q h LEU 630 Ca 0.81 0.03 -0.57 0.00 0.84 0.00 0.00 57.88 59.00 3k1q h LEU 630 Cb 2.22 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 43.02 3k1q h LEU 630 CO -0.70 0.51 0.89 -0.63 -0.34 0.00 0.00 178.44 178.17 3k1q s ILE 631 N -5.91 4.24 -0.26 4.05 1.01 0.18 -4.96 121.20 119.56 3k1q s ILE 631 Ca -0.12 1.17 -0.31 0.00 0.00 0.00 0.00 60.65 61.39 3k1q s ILE 631 Cb 0.21 -4.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.01 3k1q s ILE 631 CO 0.80 -0.99 2.18 -3.20 0.00 0.00 0.00 174.94 173.73 3k1q n ASN 632 N 7.76 2.83 -0.99 3.58 2.85 -1.26 -4.79 115.26 125.24 3k1q n ASN 632 Ca 0.11 0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.94 3k1q n ASN 632 Cb 0.49 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 40.09 3k1q n ASN 632 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3k1q n PRO 633 N 8.35 0.51 -0.10 1.20 -0.04 -1.26 -3.00 135.00 140.66 3k1q n PRO 633 Ca 0.34 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 3k1q n PRO 633 Cb 0.35 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 3k1q n PRO 633 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3k1q n GLN 634 N 0.74 0.44 -0.05 0.54 0.00 -1.26 -4.53 117.38 113.26 3k1q n GLN 634 Ca 0.00 0.19 -0.11 0.00 -0.00 0.00 0.00 57.00 57.08 3k1q n GLN 634 Cb 0.25 -1.25 0.02 0.00 0.00 0.00 0.00 30.24 29.27 3k1q n GLN 634 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3k1q h GLN 635 N -0.76 0.74 -1.91 3.69 7.50 -1.94 -3.31 115.11 119.12 3k1q h GLN 635 Ca -0.47 -0.43 -0.61 0.00 0.50 0.00 0.00 58.65 57.65 3k1q h GLN 635 Cb 1.37 0.03 -0.41 0.00 0.05 0.00 0.00 27.48 28.53 3k1q h GLN 635 CO -0.28 1.05 -0.52 0.00 -1.50 0.00 0.00 178.83 177.57 3k1q n ALA 636 N -2.53 5.02 -0.07 3.87 0.00 -1.22 -4.87 120.51 120.70 3k1q n ALA 636 Ca -0.03 -4.49 -0.07 0.00 0.00 0.00 0.00 53.44 48.85 3k1q n ALA 636 Cb 0.57 -0.77 -0.00 0.00 0.00 0.00 0.00 19.45 19.25 3k1q n ALA 636 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3k1q h PRO 637 N 2.84 0.09 -0.18 0.00 0.13 -1.80 -1.70 132.00 131.38 3k1q h PRO 637 Ca 0.25 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.38 3k1q h PRO 637 Cb 0.67 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 3k1q h PRO 637 CO 0.88 0.06 0.11 -0.07 -0.23 0.00 0.00 178.00 178.75 3k1q h LEU 638 N 0.09 0.18 -1.56 1.56 3.38 -1.93 -2.39 115.31 114.64 3k1q h LEU 638 Ca 0.14 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3k1q h LEU 638 Cb 0.18 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3k1q h LEU 638 CO -0.23 0.13 0.42 0.25 0.09 0.00 0.00 178.44 179.10 3k1q h LEU 639 N 0.22 0.45 -0.26 1.67 5.85 -1.84 -0.60 115.31 120.81 3k1q h LEU 639 Ca 0.07 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3k1q h LEU 639 Cb -0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3k1q h LEU 639 CO -0.03 0.28 0.00 -0.09 -0.34 0.00 0.00 178.44 178.27 3k1q h ARG 640 N 0.51 0.46 0.00 1.25 9.65 -0.98 -2.08 114.38 123.19 3k1q h ARG 640 Ca 0.28 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 3k1q h ARG 640 Cb 0.45 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 3k1q h ARG 640 CO -0.09 0.62 -0.05 0.00 2.80 0.00 0.00 179.97 183.25 3k1q h ALA 641 N 0.82 -0.05 -0.72 2.80 0.00 -0.83 -1.55 119.26 119.72 3k1q h ALA 641 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3k1q h ALA 641 Cb 0.41 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3k1q h ALA 641 CO 0.01 -0.55 0.43 0.35 0.00 0.00 0.00 179.25 179.50 3k1q h PHE 642 N -0.09 0.81 -0.43 0.00 3.57 -1.14 0.01 116.94 119.66 3k1q h PHE 642 Ca 0.02 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3k1q h PHE 642 Cb 0.12 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3k1q h PHE 642 CO -0.12 0.43 0.02 0.00 -2.23 0.00 0.00 178.31 176.40 3k1q h ALA 643 N 1.34 0.58 -0.78 2.41 0.00 -1.22 -1.64 119.26 119.94 3k1q h ALA 643 Ca 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3k1q h ALA 643 Cb 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3k1q h ALA 643 CO -0.15 0.35 0.40 0.93 0.00 0.00 0.00 179.25 180.78 3k1q h GLU 644 N 0.59 1.10 -0.61 0.00 5.08 -0.48 -1.69 114.58 118.58 3k1q h GLU 644 Ca 0.12 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3k1q h GLU 644 Cb 0.46 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3k1q h GLU 644 CO 0.02 0.83 0.38 0.45 -1.00 0.00 0.00 179.01 179.69 3k1q h HIS 645 N 1.10 0.71 0.15 4.33 3.86 -0.79 0.39 115.15 124.90 3k1q h HIS 645 Ca 0.27 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.50 3k1q h HIS 645 Cb 0.07 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 3k1q h HIS 645 CO 0.01 0.41 -0.19 0.82 0.86 0.00 0.00 177.93 179.84 3k1q h ILE 646 N 0.75 0.00 -0.81 2.45 2.04 -0.69 0.28 117.51 121.52 3k1q h ILE 646 Ca 0.24 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.14 3k1q h ILE 646 Cb 0.00 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.03 3k1q h ILE 646 CO -0.09 0.00 0.53 0.03 0.00 0.00 0.00 178.15 178.62 3k1q h ARG 647 N -0.35 0.94 0.18 2.37 3.08 -1.16 0.92 114.38 120.38 3k1q h ARG 647 Ca -0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3k1q h ARG 647 Cb 0.31 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3k1q h ARG 647 CO -0.05 0.62 -0.09 0.00 -1.07 0.00 0.00 179.97 179.39 3k1q h ALA 648 N 1.54 -0.25 -0.01 0.04 0.00 -0.20 -3.42 119.26 116.96 3k1q h ALA 648 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k1q h ALA 648 Cb 0.09 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k1q h ALA 648 CO -0.10 -0.36 -0.44 0.27 0.00 0.00 0.00 179.25 178.61 3k1q n ASN 649 N -4.97 1.18 -4.52 0.00 6.94 0.98 -5.02 115.26 109.85 3k1q n ASN 649 Ca -0.08 -1.09 -0.49 0.00 -0.02 0.00 0.00 54.58 52.89 3k1q n ASN 649 Cb 0.26 0.68 -0.04 0.00 -2.36 0.00 0.00 39.78 38.32 3k1q n ASN 649 CO 0.00 0.00 0.00 1.87 -1.03 0.00 0.00 177.26 178.10 3k1q n TRP 650 N -0.62 0.74 -1.53 -2.53 -0.00 0.30 -4.66 117.44 109.14 3k1q n TRP 650 Ca 0.05 0.81 -0.46 0.00 -0.00 0.00 0.00 57.50 57.90 3k1q n TRP 650 Cb 0.27 -2.17 -0.02 0.00 -0.00 0.00 0.00 31.31 29.39 3k1q n TRP 650 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3k1q n PRO 651 N 1.36 0.90 -3.24 5.87 -0.04 -1.26 -4.97 135.00 133.62 3k1q n PRO 651 Ca 0.16 0.32 -0.36 0.00 -0.04 0.00 0.00 63.50 63.57 3k1q n PRO 651 Cb 0.23 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 3k1q n PRO 651 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3k1q s GLN 652 N -1.35 4.11 0.10 0.54 1.11 -1.26 -4.90 119.66 118.01 3k1q s GLN 652 Ca 0.61 0.67 -0.31 0.00 0.01 0.00 0.00 55.36 56.34 3k1q s GLN 652 Cb -0.78 -2.93 -0.08 0.00 -1.01 0.00 0.00 33.01 28.21 3k1q s GLN 652 CO 0.59 0.45 1.49 -1.25 0.01 0.00 0.00 175.29 176.58 3k1q s PRO 653 N -1.91 4.26 0.00 2.91 0.04 -0.95 -2.70 135.00 136.65 3k1q s PRO 653 Ca 0.39 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.62 3k1q s PRO 653 Cb -0.16 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3k1q s PRO 653 CO 0.20 -0.56 0.00 -1.13 0.04 0.00 0.00 177.00 175.55 3k1q n SER 654 N 4.48 1.46 -3.72 6.66 3.41 0.37 -4.88 113.62 121.40 3k1q n SER 654 Ca 0.13 -0.35 -0.14 0.00 -0.26 0.00 0.00 58.87 58.26 3k1q n SER 654 Cb 0.41 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 3k1q n SER 654 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3k1q s GLU 655 N -0.04 0.60 0.22 4.33 -1.05 -1.26 -2.09 118.70 119.41 3k1q s GLU 655 Ca 0.00 0.27 0.10 0.00 -0.15 0.00 0.00 54.97 55.18 3k1q s GLU 655 Cb 0.00 0.28 -0.04 0.00 -0.44 0.00 0.00 34.13 33.93 3k1q s GLU 655 CO 0.00 -0.13 -0.09 0.12 0.95 0.00 0.00 175.26 176.12 3k1q s PHE 656 N -0.47 2.60 -0.50 4.83 5.36 0.26 -4.79 117.98 125.27 3k1q s PHE 656 Ca -0.06 -0.24 -0.28 0.00 -0.96 0.00 0.00 56.93 55.39 3k1q s PHE 656 Cb -0.03 -1.21 0.00 0.00 -0.34 0.00 0.00 43.02 41.43 3k1q s PHE 656 CO 0.03 0.57 1.54 0.20 -1.46 0.00 0.00 175.22 176.10 3k1q s GLY 657 N -3.17 0.83 -0.48 13.12 0.00 -1.26 -0.03 107.32 116.32 3k1q s GLY 657 Ca 0.27 -0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.44 3k1q s GLY 657 CO 0.16 2.96 0.41 -0.47 0.00 0.00 0.00 173.10 176.16 3k1q s TYR 658 N 6.47 3.25 0.00 1.90 6.14 -0.68 -4.79 117.35 129.64 3k1q s TYR 658 Ca 0.61 -1.01 0.00 0.00 0.64 0.00 0.00 57.07 57.31 3k1q s TYR 658 Cb -0.14 -3.28 0.00 0.00 0.42 0.00 0.00 41.96 38.96 3k1q s TYR 658 CO 0.28 -0.84 0.00 0.41 0.64 0.00 0.00 175.55 176.04 3k1q n GLY 659 N 5.20 -0.17 3.27 8.97 0.00 -1.26 -4.42 105.19 116.78 3k1q n GLY 659 Ca -0.13 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 3k1q n GLY 659 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1q s SER 660 N -4.00 0.14 0.08 1.61 0.15 -1.26 -4.22 113.70 106.20 3k1q s SER 660 Ca 0.00 -1.14 0.12 0.00 0.70 0.00 0.00 55.95 55.63 3k1q s SER 660 Cb 0.00 0.39 0.55 0.00 -1.71 0.00 0.00 66.02 65.26 3k1q s SER 660 CO 0.00 -0.85 1.39 0.35 1.20 0.00 0.00 173.24 175.32 3k1q n THR 661 N -0.21 1.27 -0.34 6.45 -2.24 -1.26 -2.20 114.28 115.74 3k1q n THR 661 Ca -0.03 0.37 0.14 0.00 -2.27 0.00 0.00 64.05 62.26 3k1q n THR 661 Cb 0.64 -1.25 0.34 0.00 -2.10 0.00 0.00 70.33 67.96 3k1q n THR 661 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3k1q h LEU 662 N 0.00 0.75 0.00 3.22 5.85 -1.97 -3.30 115.31 119.87 3k1q h LEU 662 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3k1q h LEU 662 Cb 0.17 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3k1q h LEU 662 CO 0.00 0.26 -0.23 0.00 -0.34 0.00 0.00 178.44 178.13 3k1q n GLN 663 N -4.74 3.52 0.00 1.25 10.64 -1.17 -4.49 117.38 122.38 3k1q n GLN 663 Ca 0.23 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 3k1q n GLN 663 Cb 0.59 -0.49 0.00 0.00 -0.86 0.00 0.00 30.24 29.48 3k1q n GLN 663 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3k1q n GLY 664 N 0.95 1.58 0.00 2.61 0.00 -0.94 -4.38 105.19 105.02 3k1q n GLY 664 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3k1q n GLY 664 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1q n SER 665 N 5.21 0.00 -1.25 1.61 3.41 -1.26 -4.24 113.62 117.10 3k1q n SER 665 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 3k1q n SER 665 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 3k1q n SER 665 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q n ALA 666 N -0.06 3.34 -2.40 7.33 0.00 -1.26 -4.80 120.51 122.66 3k1q n ALA 666 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 53.44 52.22 3k1q n ALA 666 Cb 0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 3k1q n ALA 666 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k1q s ASN 667 N 0.02 6.79 0.00 0.00 0.01 -1.26 -4.84 114.94 115.67 3k1q s ASN 667 Ca 0.19 1.02 0.00 0.00 -0.71 0.00 0.00 52.86 53.37 3k1q s ASN 667 Cb 0.16 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.55 3k1q s ASN 667 CO 0.04 0.12 0.00 0.18 -1.51 0.00 0.00 177.10 175.93 3k1q n LEU 668 N 0.84 0.00 0.24 0.60 4.77 -1.26 -4.68 117.00 117.51 3k1q n LEU 668 Ca -0.06 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.06 3k1q n LEU 668 Cb 0.52 -0.16 0.81 0.00 -2.33 0.00 0.00 43.42 42.25 3k1q n LEU 668 CO 0.42 -0.19 1.12 -0.26 -1.33 0.00 0.00 177.39 177.15 3k1q h PHE 669 N 0.00 0.00 -3.36 -1.77 0.04 -1.96 -3.41 116.94 106.48 3k1q h PHE 669 Ca 0.00 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.12 3k1q h PHE 669 Cb 0.00 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 37.93 3k1q h PHE 669 CO 0.00 0.00 -0.69 0.96 -0.60 0.00 0.00 178.31 177.98 3k1q s ILE 670 N -4.78 3.69 -0.02 -0.55 -4.36 -1.26 -5.02 121.20 108.90 3k1q s ILE 670 Ca -0.05 -0.44 -0.36 0.00 -0.26 0.00 0.00 60.65 59.55 3k1q s ILE 670 Cb 0.16 -2.59 -0.14 0.00 1.25 0.00 0.00 42.46 41.14 3k1q s ILE 670 CO 0.59 0.52 1.65 -0.81 0.24 0.00 0.00 174.94 177.13 3k1q n PRO 671 N 3.34 1.73 -0.18 0.37 -0.04 -1.26 -4.78 135.00 134.18 3k1q n PRO 671 Ca -0.18 0.63 0.16 0.00 -0.04 0.00 0.00 63.50 64.08 3k1q n PRO 671 Cb 0.53 -2.38 0.30 0.00 -0.04 0.00 0.00 33.50 31.91 3k1q n PRO 671 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k1q n SER 672 N 4.59 0.15 0.07 3.54 3.41 -1.26 0.20 113.62 124.32 3k1q n SER 672 Ca 0.21 0.92 0.19 0.00 -0.26 0.00 0.00 58.87 59.93 3k1q n SER 672 Cb 0.24 -0.43 0.54 0.00 -0.26 0.00 0.00 64.21 64.29 3k1q n SER 672 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3k1q h ASN 673 N 0.00 0.00 -3.45 4.04 -1.07 -1.87 -3.38 115.58 109.85 3k1q h ASN 673 Ca 0.45 0.00 -0.66 0.00 0.07 0.00 0.00 56.30 56.16 3k1q h ASN 673 Cb 1.16 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.18 3k1q h ASN 673 CO -0.44 0.00 -0.72 -0.13 0.07 0.00 0.00 177.43 176.21 3k1q s ARG 674 N -4.37 3.27 0.20 4.14 1.81 0.13 -1.69 118.95 122.44 3k1q s ARG 674 Ca -0.03 -0.60 0.04 0.00 -1.72 0.00 0.00 55.73 53.42 3k1q s ARG 674 Cb 0.11 -2.70 -0.03 0.00 -0.45 0.00 0.00 34.95 31.88 3k1q s ARG 674 CO 0.39 0.36 0.32 1.41 -0.68 0.00 0.00 175.30 177.10 3k1q s MET 675 N -0.00 3.43 -0.10 3.54 -2.45 0.95 -4.71 119.30 119.96 3k1q s MET 675 Ca -0.01 -0.69 0.03 0.00 -1.25 0.00 0.00 55.69 53.77 3k1q s MET 675 Cb -0.14 -2.92 0.00 0.00 1.25 0.00 0.00 34.83 33.03 3k1q s MET 675 CO 0.03 0.47 -0.21 0.08 1.05 0.00 0.00 175.02 176.44 3k1q s VAL 676 N -1.87 1.90 -0.47 10.11 1.01 -1.26 0.90 120.40 130.71 3k1q s VAL 676 Ca 0.34 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3k1q s VAL 676 Cb -0.10 -1.66 0.12 0.00 0.00 0.00 0.00 36.38 34.74 3k1q s VAL 676 CO 0.29 0.52 0.31 -0.47 0.00 0.00 0.00 175.10 175.75 3k1q s TYR 677 N 0.52 3.50 0.36 5.22 6.04 -0.89 -4.85 117.35 127.25 3k1q s TYR 677 Ca -0.15 -2.18 0.05 0.00 0.04 0.00 0.00 57.07 54.82 3k1q s TYR 677 Cb -0.17 -3.37 0.71 0.00 -1.04 0.00 0.00 41.96 38.09 3k1q s TYR 677 CO 0.06 -0.97 1.97 -1.35 -1.54 0.00 0.00 175.55 173.72 3k1q h PRO 678 N 8.13 0.76 -6.98 4.97 0.11 -1.89 0.11 132.00 137.21 3k1q h PRO 678 Ca -0.15 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.39 3k1q h PRO 678 Cb 1.05 -0.17 0.09 0.00 0.11 0.00 0.00 31.00 32.07 3k1q h PRO 678 CO 0.78 0.50 0.57 -1.58 -0.21 0.00 0.00 178.00 178.06 3k1q s TRP 679 N -5.69 2.74 -0.57 0.65 0.52 -1.26 -2.25 118.94 113.09 3k1q s TRP 679 Ca -0.10 1.45 -0.28 0.00 0.02 0.00 0.00 56.10 57.19 3k1q s TRP 679 Cb 0.19 -3.59 0.03 0.00 -1.15 0.00 0.00 33.47 28.95 3k1q s TRP 679 CO 0.77 -2.03 1.15 -1.25 0.02 0.00 0.00 176.95 175.61 3k1q s PRO 680 N -2.51 3.51 0.15 4.98 0.04 -1.10 -4.06 135.00 136.01 3k1q s PRO 680 Ca 0.62 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.57 3k1q s PRO 680 Cb -0.35 -4.01 -0.07 0.00 0.04 0.00 0.00 34.50 30.11 3k1q s PRO 680 CO 0.44 -1.63 1.12 0.54 0.04 0.00 0.00 177.00 177.51 3k1q s ASN 681 N 2.89 7.22 0.10 6.66 6.03 -1.26 -4.83 114.94 131.75 3k1q s ASN 681 Ca 0.42 2.08 0.08 0.00 -1.03 0.00 0.00 52.86 54.41 3k1q s ASN 681 Cb -0.08 -2.60 -0.04 0.00 -3.03 0.00 0.00 41.25 35.50 3k1q s ASN 681 CO 0.25 -0.28 -0.16 -1.10 -2.03 0.00 0.00 177.10 173.79 3k1q s GLN 682 N -0.08 1.93 1.00 3.55 1.11 0.15 -4.98 119.66 122.34 3k1q s GLN 682 Ca 0.51 -1.10 -0.24 0.00 0.01 0.00 0.00 55.36 54.54 3k1q s GLN 682 Cb -0.29 -2.18 -0.18 0.00 -1.01 0.00 0.00 33.01 29.35 3k1q s GLN 682 CO 0.34 0.50 -1.26 -2.30 0.01 0.00 0.00 175.29 172.58 3k1q n PRO 683 N 0.88 -0.03 -3.66 2.91 -0.02 -1.26 -4.25 135.00 129.57 3k1q n PRO 683 Ca -0.15 -0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 60.94 3k1q n PRO 683 Cb 0.52 -1.02 -0.08 0.00 -0.02 0.00 0.00 33.50 32.90 3k1q n PRO 683 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k1q s LEU 684 N 7.78 5.47 0.00 2.45 1.02 -1.26 -4.90 118.68 129.23 3k1q s LEU 684 Ca 0.38 -2.80 0.00 0.00 0.02 0.00 0.00 54.13 51.73 3k1q s LEU 684 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.30 3k1q s LEU 684 CO 0.72 -0.41 0.00 -2.65 0.02 0.00 0.00 176.35 174.03 3k1q n PRO 685 N 3.60 3.66 -2.51 1.29 -0.02 -1.26 -4.96 135.00 134.80 3k1q n PRO 685 Ca 0.08 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.16 3k1q n PRO 685 Cb 0.39 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.86 3k1q n PRO 685 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3k1q s ARG 686 N 2.95 3.68 -0.00 -0.52 3.52 -1.26 -4.78 118.95 122.53 3k1q s ARG 686 Ca 0.00 -1.58 0.01 0.00 -0.13 0.00 0.00 55.73 54.02 3k1q s ARG 686 Cb 0.00 -5.44 0.02 0.00 -1.56 0.00 0.00 34.95 27.97 3k1q s ARG 686 CO 0.00 -2.44 1.00 1.28 -0.81 0.00 0.00 175.30 174.32 3k1q n LEU 687 N 9.31 0.13 -1.15 -0.88 4.77 -1.26 -4.49 117.00 123.42 3k1q n LEU 687 Ca 0.43 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3k1q n LEU 687 Cb 0.48 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3k1q n LEU 687 CO 0.72 0.03 0.61 0.35 -1.33 0.00 0.00 177.39 177.77 3k1q n THR 688 N -0.43 1.22 -3.64 -5.08 -2.24 -1.26 -4.47 114.28 98.37 3k1q n THR 688 Ca 0.01 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 3k1q n THR 688 Cb 0.02 -1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 67.05 3k1q n THR 688 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3k1q n VAL 689 N 0.82 2.28 -0.09 2.28 0.31 -1.26 -4.97 118.33 117.71 3k1q n VAL 689 Ca 0.00 -5.10 0.04 0.00 -0.01 0.00 0.00 64.34 59.27 3k1q n VAL 689 Cb 0.47 -2.17 0.08 0.00 -0.91 0.00 0.00 33.84 31.31 3k1q n VAL 689 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k1q n ALA 690 N 1.53 0.14 -2.28 3.52 0.00 -1.26 -1.41 120.51 120.74 3k1q n ALA 690 Ca 0.24 0.27 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 3k1q n ALA 690 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3k1q n ALA 690 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k1q n PRO 691 N -4.08 3.65 -0.68 0.00 -0.04 -1.26 -4.76 135.00 127.83 3k1q n PRO 691 Ca 0.06 -3.48 -0.05 0.00 -0.04 0.00 0.00 63.50 59.99 3k1q n PRO 691 Cb 0.20 -2.92 -0.07 0.00 -0.04 0.00 0.00 33.50 30.68 3k1q n PRO 691 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3k1q n THR 692 N 3.29 2.33 0.40 0.52 -2.24 -0.50 -4.48 114.28 113.61 3k1q n THR 692 Ca 0.42 -0.88 0.13 0.00 -2.27 0.00 0.00 64.05 61.45 3k1q n THR 692 Cb 0.36 -1.69 0.46 0.00 -2.10 0.00 0.00 70.33 67.36 3k1q n THR 692 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3k1q h TYR 693 N 1.89 0.00 0.00 4.78 -1.99 -1.88 -2.95 116.97 116.82 3k1q h TYR 693 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3k1q h TYR 693 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.90 3k1q h TYR 693 CO 0.85 0.00 0.15 -0.40 -0.00 0.00 0.00 178.16 178.77 3k1q n ASP 694 N -2.59 0.10 -4.68 3.88 5.68 -1.26 -3.71 116.55 113.96 3k1q n ASP 694 Ca 0.03 0.43 -0.42 0.00 -0.50 0.00 0.00 54.79 54.33 3k1q n ASP 694 Cb 0.35 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.88 3k1q n ASP 694 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3k1q s SER 695 N -2.95 6.51 0.09 -1.12 1.04 -1.12 -4.92 113.70 111.24 3k1q s SER 695 Ca -0.00 2.61 -0.04 0.00 0.48 0.00 0.00 55.95 59.00 3k1q s SER 695 Cb 0.01 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.71 3k1q s SER 695 CO 0.04 -0.97 0.56 0.00 0.98 0.00 0.00 173.24 173.85 3k1q n ALA 696 N 6.14 0.04 0.14 5.32 0.00 -1.26 -1.18 120.51 129.71 3k1q n ALA 696 Ca 0.17 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.86 3k1q n ALA 696 Cb 0.40 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 3k1q n ALA 696 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3k1q h MET 697 N 0.00 -0.48 -0.06 0.00 -1.53 -1.91 -1.79 114.93 109.15 3k1q h MET 697 Ca 0.16 0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.40 3k1q h MET 697 Cb 0.25 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 3k1q h MET 697 CO -0.37 -0.32 -0.21 0.66 0.14 0.00 0.00 176.91 176.81 3k1q h SER 698 N -0.50 0.10 -0.16 1.39 4.64 -1.40 -2.73 113.55 114.88 3k1q h SER 698 Ca 0.01 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3k1q h SER 698 Cb 0.49 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3k1q h SER 698 CO -0.10 0.32 0.03 0.78 -0.87 0.00 0.00 176.83 176.98 3k1q h ASN 699 N 0.10 0.00 -1.00 4.97 2.35 -0.46 -2.77 115.58 118.77 3k1q h ASN 699 Ca 0.02 0.03 0.20 0.00 -0.55 0.00 0.00 56.30 55.99 3k1q h ASN 699 Cb 0.43 0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.73 3k1q h ASN 699 CO 0.03 0.03 0.61 -0.25 -1.65 0.00 0.00 177.43 176.20 3k1q h TRP 700 N 0.09 1.00 0.45 1.19 2.91 -1.06 -2.01 115.95 118.51 3k1q h TRP 700 Ca 0.07 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 3k1q h TRP 700 Cb 0.07 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.42 3k1q h TRP 700 CO -0.13 0.22 -0.22 0.82 -1.03 0.00 0.00 178.44 178.10 3k1q h ILE 701 N 0.71 0.00 -0.62 2.65 2.04 -1.23 -1.95 117.51 119.10 3k1q h ILE 701 Ca 0.57 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 66.37 3k1q h ILE 701 Cb 0.96 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 3k1q h ILE 701 CO -0.36 0.00 -0.37 -1.54 0.00 0.00 0.00 178.15 175.88 3k1q n SER 702 N -3.94 -0.66 -0.35 1.72 3.41 -1.06 -1.44 113.62 111.31 3k1q n SER 702 Ca -0.07 1.30 0.10 0.00 -0.26 0.00 0.00 58.87 59.93 3k1q n SER 702 Cb 0.24 -0.24 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 3k1q n SER 702 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3k1q h THR 703 N 0.00 0.80 0.12 6.66 1.35 -1.45 0.34 112.91 120.74 3k1q h THR 703 Ca 0.10 -0.29 0.01 0.00 -0.55 0.00 0.00 66.41 65.68 3k1q h THR 703 Cb 0.26 -0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.54 3k1q h THR 703 CO -0.59 0.15 -0.14 0.74 -0.25 0.00 0.00 175.52 175.43 3k1q h THR 704 N 0.85 0.67 -0.57 6.82 2.02 -1.09 0.14 112.91 121.74 3k1q h THR 704 Ca 0.53 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.77 3k1q h THR 704 Cb 0.68 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 3k1q h THR 704 CO -0.33 0.00 0.27 0.40 0.37 0.00 0.00 175.52 176.23 3k1q h ILE 705 N -0.31 0.90 -0.44 3.11 2.04 0.06 -2.05 117.51 120.82 3k1q h ILE 705 Ca 0.01 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.78 3k1q h ILE 705 Cb 0.30 0.35 -0.10 0.00 -0.74 0.00 0.00 36.82 36.63 3k1q h ILE 705 CO -0.05 0.09 -0.34 0.00 0.00 0.00 0.00 178.15 177.85 3k1q h ALA 706 N 1.33 -0.18 -0.54 1.87 0.00 -0.21 -0.18 119.26 121.35 3k1q h ALA 706 Ca 0.27 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.32 3k1q h ALA 706 Cb 0.22 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3k1q h ALA 706 CO -0.21 -0.73 0.31 0.35 0.00 0.00 0.00 179.25 178.98 3k1q h PHE 707 N -0.24 0.59 -0.66 0.00 3.57 -0.33 -2.18 116.94 117.68 3k1q h PHE 707 Ca 0.18 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.81 3k1q h PHE 707 Cb 0.55 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 3k1q h PHE 707 CO -0.57 0.32 0.25 0.74 -2.23 0.00 0.00 178.31 176.82 3k1q h PHE 708 N 0.62 0.43 0.17 0.41 -1.00 -0.53 -1.67 116.94 115.36 3k1q h PHE 708 Ca 0.23 0.03 0.01 0.00 2.81 0.00 0.00 57.97 61.05 3k1q h PHE 708 Cb 0.06 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.48 3k1q h PHE 708 CO -0.07 0.09 -0.46 0.82 -1.61 0.00 0.00 178.31 177.08 3k1q h ILE 709 N 0.42 0.10 -0.93 -0.55 2.04 -1.03 -0.36 117.51 117.19 3k1q h ILE 709 Ca 0.34 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.49 3k1q h ILE 709 Cb 0.45 0.10 -0.17 0.00 -0.74 0.00 0.00 36.82 36.46 3k1q h ILE 709 CO -0.34 0.00 0.12 0.54 0.00 0.00 0.00 178.15 178.47 3k1q n ARG 710 N -5.48 -0.07 0.00 2.37 1.74 -0.83 -0.31 116.66 114.08 3k1q n ARG 710 Ca -0.08 1.37 0.00 0.00 -0.77 0.00 0.00 57.85 58.37 3k1q n ARG 710 Cb 0.40 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 3k1q n ARG 710 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3k1q n VAL 711 N -5.31 0.00 0.33 1.55 0.31 -0.64 -3.08 118.33 111.48 3k1q n VAL 711 Ca 0.25 1.44 0.22 0.00 -0.01 0.00 0.00 64.34 66.24 3k1q n VAL 711 Cb 0.82 -2.44 1.15 0.00 -0.91 0.00 0.00 33.84 32.46 3k1q n VAL 711 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 3k1q h VAL 712 N 0.00 0.02 -0.77 2.52 3.04 -0.30 -3.33 116.25 117.44 3k1q h VAL 712 Ca 0.00 -0.07 0.18 0.00 -1.01 0.00 0.00 66.70 65.80 3k1q h VAL 712 Cb 0.00 1.07 -0.05 0.00 -2.01 0.00 0.00 31.29 30.30 3k1q h VAL 712 CO 0.00 0.00 0.52 0.78 -1.01 0.00 0.00 177.57 177.87 3k1q h ASN 713 N 0.00 0.27 0.96 3.17 -0.26 -0.59 -1.93 115.58 117.20 3k1q h ASN 713 Ca -0.00 0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.67 3k1q h ASN 713 Cb 0.07 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 3k1q h ASN 713 CO 0.00 0.13 -0.44 0.77 -1.06 0.00 0.00 177.43 176.83 3k1q h SER 714 N 0.28 0.00 0.00 5.81 4.64 -1.75 -3.46 113.55 119.07 3k1q h SER 714 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3k1q h SER 714 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3k1q h SER 714 CO -0.10 0.44 0.00 0.52 -0.87 0.00 0.00 176.83 176.82 3k1q n VAL 715 N -3.48 0.00 -0.12 0.95 0.31 -0.73 -4.83 118.33 110.44 3k1q n VAL 715 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3k1q n VAL 715 Cb 0.57 -0.38 0.19 0.00 -0.91 0.00 0.00 33.84 33.32 3k1q n VAL 715 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3k1q h ASN 716 N 0.00 0.75 0.00 4.52 7.08 -1.89 -3.04 115.58 123.01 3k1q h ASN 716 Ca 0.00 -0.14 0.00 0.00 -3.08 0.00 0.00 56.30 53.08 3k1q h ASN 716 Cb 0.13 -0.20 0.00 0.00 -2.08 0.00 0.00 38.32 36.17 3k1q h ASN 716 CO 0.00 0.76 0.00 1.15 -2.08 0.00 0.00 177.43 177.26 3k1q n MET 717 N -4.26 0.07 -1.21 4.14 0.00 -1.26 -3.89 117.12 110.70 3k1q n MET 717 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.59 3k1q n MET 717 Cb 0.24 -1.00 0.14 0.00 0.00 0.00 0.00 33.22 32.60 3k1q n MET 717 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3k1q n THR 718 N -0.43 2.74 -1.67 3.17 -2.24 -1.15 -4.64 114.28 110.07 3k1q n THR 718 Ca 0.00 -3.14 -0.47 0.00 -2.27 0.00 0.00 64.05 58.17 3k1q n THR 718 Cb 0.00 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 67.53 3k1q n THR 718 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n ALA 719 N -0.99 1.18 -1.10 6.98 0.00 -1.25 -0.98 120.51 124.35 3k1q n ALA 719 Ca 0.42 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 54.23 3k1q n ALA 719 Cb 0.98 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 3k1q n ALA 719 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1q n THR 720 N 3.78 0.00 -3.86 0.00 -2.24 -1.26 -4.92 114.28 105.77 3k1q n THR 720 Ca 0.18 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.67 3k1q n THR 720 Cb 0.29 -0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 67.61 3k1q n THR 720 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3k1q s VAL 721 N -1.77 2.46 -2.00 2.28 1.01 -0.15 -4.98 120.40 117.25 3k1q s VAL 721 Ca 0.00 -3.67 0.12 0.00 0.00 0.00 0.00 61.98 58.44 3k1q s VAL 721 Cb 0.00 -2.66 0.35 0.00 0.00 0.00 0.00 36.38 34.08 3k1q s VAL 721 CO 0.00 -0.94 1.17 0.59 0.00 0.00 0.00 175.10 175.92 3k1q n ASN 722 N 2.58 0.00 -4.58 3.32 4.13 -1.26 -4.68 115.26 114.77 3k1q n ASN 722 Ca 0.14 -0.55 -0.35 0.00 1.68 0.00 0.00 54.58 55.50 3k1q n ASN 722 Cb 0.35 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.48 3k1q n ASN 722 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3k1q s ASP 723 N -1.92 5.43 -0.68 6.41 2.15 -1.26 -5.03 116.67 121.77 3k1q s ASP 723 Ca 0.19 -0.00 -0.26 0.00 0.43 0.00 0.00 52.55 52.90 3k1q s ASP 723 Cb 0.09 -1.93 -0.13 0.00 -0.30 0.00 0.00 42.92 40.64 3k1q s ASP 723 CO 0.14 0.13 2.47 -0.11 -0.17 0.00 0.00 175.17 177.63 3k1q n LEU 724 N 3.83 1.58 0.04 -1.34 7.94 -1.26 -4.87 117.00 122.92 3k1q n LEU 724 Ca -0.17 -0.49 -0.13 0.00 -1.11 0.00 0.00 56.01 54.12 3k1q n LEU 724 Cb 0.52 -1.39 -0.08 0.00 0.53 0.00 0.00 43.42 43.00 3k1q n LEU 724 CO 0.34 -1.52 0.72 0.71 -1.11 0.00 0.00 177.39 176.53 3k1q h THR 725 N 7.74 1.11 -0.61 1.96 1.35 -1.96 -3.38 112.91 119.12 3k1q h THR 725 Ca -0.15 -0.57 0.12 0.00 -0.55 0.00 0.00 66.41 65.26 3k1q h THR 725 Cb 1.24 1.49 -0.11 0.00 -1.73 0.00 0.00 68.15 69.03 3k1q h THR 725 CO 1.22 0.14 -0.12 0.03 -0.25 0.00 0.00 175.52 176.54 3k1q h ARG 726 N -0.33 0.02 -0.00 4.72 3.08 -1.91 0.22 114.38 120.18 3k1q h ARG 726 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3k1q h ARG 726 Cb 0.29 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3k1q h ARG 726 CO 0.01 0.01 -0.00 -0.09 -1.07 0.00 0.00 179.97 178.83 3k1q h ARG 727 N 0.02 -0.00 -0.94 0.04 2.43 -2.00 -0.60 114.38 113.33 3k1q h ARG 727 Ca 0.30 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.62 3k1q h ARG 727 Cb 0.46 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.86 3k1q h ARG 727 CO -0.61 -0.00 -0.38 1.15 -1.51 0.00 0.00 179.97 178.62 3k1q h THR 728 N -0.00 0.03 -0.16 0.20 2.02 -1.60 0.48 112.91 113.87 3k1q h THR 728 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3k1q h THR 728 Cb 0.00 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3k1q h THR 728 CO -0.00 0.00 -0.45 -0.03 0.37 0.00 0.00 175.52 175.40 3k1q h MET 729 N -0.03 0.60 -0.71 6.66 4.05 -0.28 -1.68 114.93 123.55 3k1q h MET 729 Ca 0.33 -0.42 0.11 0.00 -0.28 0.00 0.00 59.70 59.44 3k1q h MET 729 Cb 0.59 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.38 3k1q h MET 729 CO -0.94 1.04 0.30 1.79 0.23 0.00 0.00 176.91 179.33 3k1q h THR 730 N 0.25 0.75 -0.61 -0.77 1.35 -1.02 -0.65 112.91 112.22 3k1q h THR 730 Ca -0.01 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3k1q h THR 730 Cb 1.07 0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.67 3k1q h THR 730 CO 0.10 0.09 0.38 1.23 -0.25 0.00 0.00 175.52 177.07 3k1q h GLY 731 N 0.49 0.88 0.69 5.82 0.00 -0.81 0.55 103.07 110.70 3k1q h GLY 731 Ca 0.37 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3k1q h GLY 731 CO -0.33 0.34 -0.10 -2.08 0.00 0.00 0.00 176.54 174.37 3k1q h VAL 732 N 0.83 1.35 0.36 4.60 2.07 -1.14 -0.29 116.25 124.03 3k1q h VAL 732 Ca 0.22 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3k1q h VAL 732 Cb -0.04 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3k1q h VAL 732 CO -0.04 0.35 -0.27 0.24 0.02 0.00 0.00 177.57 177.87 3k1q h MET 733 N -0.13 -0.61 -1.01 1.57 2.86 -1.07 -1.65 114.93 114.89 3k1q h MET 733 Ca 0.02 0.04 0.24 0.00 -2.06 0.00 0.00 59.70 57.94 3k1q h MET 733 Cb 0.61 0.14 -0.12 0.00 0.06 0.00 0.00 31.60 32.29 3k1q h MET 733 CO 0.03 -0.41 0.61 1.79 1.06 0.00 0.00 176.91 179.99 3k1q h THR 734 N -0.63 0.56 -0.46 2.22 1.35 -0.92 -1.29 112.91 113.74 3k1q h THR 734 Ca -0.03 -0.20 0.09 0.00 -0.55 0.00 0.00 66.41 65.73 3k1q h THR 734 Cb 0.55 -0.06 -0.10 0.00 -1.73 0.00 0.00 68.15 66.81 3k1q h THR 734 CO -0.00 0.10 -0.25 0.00 -0.25 0.00 0.00 175.52 175.12 3k1q h ALA 735 N 1.69 0.03 -0.31 6.62 0.00 -0.88 0.85 119.26 127.27 3k1q h ALA 735 Ca 0.62 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.75 3k1q h ALA 735 Cb 1.23 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 3k1q h ALA 735 CO -0.42 -0.61 -0.16 0.52 0.00 0.00 0.00 179.25 178.58 3k1q h MET 736 N -0.16 -0.11 -0.65 0.00 2.86 -0.30 -2.53 114.93 114.05 3k1q h MET 736 Ca 0.21 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 3k1q h MET 736 Cb 0.49 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3k1q h MET 736 CO -0.55 -0.07 0.31 0.00 1.06 0.00 0.00 176.91 177.66 3k1q h ARG 737 N -0.11 0.92 0.00 1.72 2.47 -0.91 -2.78 114.38 115.68 3k1q h ARG 737 Ca 0.16 -0.12 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 3k1q h ARG 737 Cb 0.35 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3k1q h ARG 737 CO -0.38 0.71 -0.22 1.96 0.56 0.00 0.00 179.97 182.60 3k1q h GLN 738 N 0.91 0.00 -5.31 0.04 4.20 -0.40 -3.42 115.11 111.12 3k1q h GLN 738 Ca 0.23 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 3k1q h GLN 738 Cb 0.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 3k1q h GLN 738 CO -0.03 0.22 0.08 0.08 -0.67 0.00 0.00 178.83 178.51 3k1q s VAL 739 N -4.05 3.05 -0.49 -0.54 1.01 -1.05 -4.88 120.40 113.44 3k1q s VAL 739 Ca -0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 3k1q s VAL 739 Cb 0.13 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 3k1q s VAL 739 CO 0.64 -0.10 2.40 0.29 0.00 0.00 0.00 175.10 178.33 3k1q n LYS 740 N 8.65 1.08 -5.26 2.72 4.76 -1.26 -4.94 118.16 123.92 3k1q n LYS 740 Ca 0.45 0.10 -0.31 0.00 -2.87 0.00 0.00 58.31 55.68 3k1q n LYS 740 Cb 0.44 -3.13 -0.16 0.00 -1.84 0.00 0.00 35.03 30.34 3k1q n LYS 740 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3k1q s THR 741 N 10.90 2.03 -0.63 -0.18 -1.32 -1.26 -4.86 115.64 120.32 3k1q s THR 741 Ca 1.04 -1.06 0.22 0.00 -1.21 0.00 0.00 61.69 60.67 3k1q s THR 741 Cb -0.37 -1.71 -0.21 0.00 -1.51 0.00 0.00 72.50 68.70 3k1q s THR 741 CO 0.32 0.57 0.86 0.23 -2.21 0.00 0.00 174.62 174.39 3k1q n MET 742 N 2.87 0.26 -0.21 7.08 0.00 0.50 -4.60 117.12 123.02 3k1q n MET 742 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.48 3k1q n MET 742 Cb 0.52 -1.54 0.11 0.00 0.00 0.00 0.00 33.22 32.31 3k1q n MET 742 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 3k1q h THR 743 N 0.00 0.75 -0.96 2.03 1.35 -1.67 0.30 112.91 114.71 3k1q h THR 743 Ca 0.00 -0.13 0.28 0.00 -0.55 0.00 0.00 66.41 66.00 3k1q h THR 743 Cb 0.70 0.32 -0.14 0.00 -1.73 0.00 0.00 68.15 67.30 3k1q h THR 743 CO 0.00 0.07 0.45 -0.65 -0.25 0.00 0.00 175.52 175.14 3k1q h PRO 744 N 0.39 0.31 -0.01 4.72 0.11 -1.81 -1.17 132.00 134.53 3k1q h PRO 744 Ca 0.31 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3k1q h PRO 744 Cb 0.40 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3k1q h PRO 744 CO -0.32 0.20 -0.05 0.74 -0.21 0.00 0.00 178.00 178.36 3k1q h PHE 745 N 0.32 0.07 -0.49 0.65 0.04 -1.07 -2.05 116.94 114.41 3k1q h PHE 745 Ca 0.66 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.39 3k1q h PHE 745 Cb 1.41 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.52 3k1q h PHE 745 CO -0.10 0.72 0.29 -0.92 -0.60 0.00 0.00 178.31 177.70 3k1q h TYR 746 N -0.59 0.63 0.10 -0.55 3.20 -0.38 0.85 116.97 120.22 3k1q h TYR 746 Ca -0.00 0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 3k1q h TYR 746 Cb 0.72 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.80 3k1q h TYR 746 CO 0.16 0.42 -1.17 0.82 -1.64 0.00 0.00 178.16 176.75 3k1q h ILE 747 N 0.66 1.41 -0.00 1.81 2.04 -1.16 0.38 117.51 122.64 3k1q h ILE 747 Ca 0.18 -2.71 0.00 0.00 1.00 0.00 0.00 64.86 63.32 3k1q h ILE 747 Cb -0.03 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3k1q h ILE 747 CO -0.03 0.81 -0.25 0.00 0.00 0.00 0.00 178.15 178.68 3k1q n GLN 748 N -3.67 0.31 0.00 2.37 6.02 -0.58 -4.27 117.38 117.56 3k1q n GLN 748 Ca -0.10 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 3k1q n GLN 748 Cb 0.96 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.73 3k1q n GLN 748 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3k1q n HIS 749 N -1.23 0.00 0.03 1.08 8.25 0.19 0.32 115.22 123.86 3k1q n HIS 749 Ca 0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 3k1q n HIS 749 Cb 0.32 0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.38 3k1q n HIS 749 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3k1q h MET 750 N 0.00 -0.09 -0.81 -0.41 2.86 -0.56 -3.36 114.93 112.57 3k1q h MET 750 Ca 0.00 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.79 3k1q h MET 750 Cb 0.00 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.59 3k1q h MET 750 CO 0.00 0.29 0.39 0.00 1.06 0.00 0.00 176.91 178.65 3k1q h PRO 752 N 0.57 -0.11 -0.88 0.00 0.13 -1.74 -0.43 132.00 129.54 3k1q h PRO 752 Ca 0.44 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.69 3k1q h PRO 752 Cb 0.61 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.64 3k1q h PRO 752 CO -0.36 -0.08 -0.46 1.15 -0.23 0.00 0.00 178.00 178.02 3k1q h THR 753 N -0.12 0.03 -0.93 1.56 2.02 -1.68 0.40 112.91 114.18 3k1q h THR 753 Ca 0.15 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.51 3k1q h THR 753 Cb 0.34 0.03 -0.17 0.00 -1.74 0.00 0.00 68.15 66.60 3k1q h THR 753 CO -0.35 0.00 -0.26 -0.08 0.37 0.00 0.00 175.52 175.21 3k1q h GLU 754 N -0.07 -0.00 0.15 6.66 4.81 -0.92 -1.02 114.58 124.18 3k1q h GLU 754 Ca 0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3k1q h GLU 754 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3k1q h GLU 754 CO -0.89 -0.00 -0.07 -0.07 -0.73 0.00 0.00 179.01 177.25 3k1q h LEU 755 N -0.01 -0.17 -0.96 1.64 3.38 -0.05 -3.16 115.31 115.99 3k1q h LEU 755 Ca 0.43 -0.33 0.27 0.00 0.09 0.00 0.00 57.88 58.35 3k1q h LEU 755 Cb 0.67 0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.29 3k1q h LEU 755 CO -0.96 0.28 0.12 -1.28 0.09 0.00 0.00 178.44 176.68 3k1q h SER 756 N -0.66 -0.30 -0.83 -0.43 0.87 -0.07 -0.47 113.55 111.66 3k1q h SER 756 Ca -0.02 0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3k1q h SER 756 Cb 0.49 0.42 -0.04 0.00 -0.44 0.00 0.00 62.40 62.82 3k1q h SER 756 CO 0.03 -0.32 0.47 1.62 -0.53 0.00 0.00 176.83 178.10 3k1q h VAL 757 N 0.05 1.24 0.24 2.23 3.04 -1.19 -3.28 116.25 118.57 3k1q h VAL 757 Ca 0.61 -0.58 -0.33 0.00 -1.01 0.00 0.00 66.70 65.38 3k1q h VAL 757 Cb 1.29 0.10 0.04 0.00 -2.01 0.00 0.00 31.29 30.71 3k1q h VAL 757 CO -0.84 0.27 -1.44 -0.07 -1.01 0.00 0.00 177.57 174.47 3k1q h LEU 758 N 1.16 0.86 -0.96 3.16 4.07 -1.24 -3.40 115.31 118.96 3k1q h LEU 758 Ca 0.30 -0.91 0.18 0.00 0.08 0.00 0.00 57.88 57.53 3k1q h LEU 758 Cb 0.01 -0.28 -0.18 0.00 1.08 0.00 0.00 40.66 41.29 3k1q h LEU 758 CO -0.05 1.70 -0.27 0.00 -1.08 0.00 0.00 178.44 178.74 3k1q h ALA 759 N 0.17 0.52 -0.21 1.53 0.00 -1.19 0.55 119.26 120.63 3k1q h ALA 759 Ca -0.25 0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3k1q h ALA 759 Cb 2.13 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 20.70 3k1q h ALA 759 CO 0.27 -0.44 0.03 0.66 0.00 0.00 0.00 179.25 179.77 3k1q h SER 760 N -0.00 0.27 1.16 0.00 4.64 -1.77 -3.10 113.55 114.75 3k1q h SER 760 Ca 0.43 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3k1q h SER 760 Cb 0.68 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3k1q h SER 760 CO -0.98 0.31 -0.47 -0.37 -0.87 0.00 0.00 176.83 174.45 3k1q h VAL 761 N 0.30 0.00 -3.81 0.95 -1.51 -1.11 -3.47 116.25 107.60 3k1q h VAL 761 Ca 0.07 -0.62 -0.53 0.00 -1.23 0.00 0.00 66.70 64.39 3k1q h VAL 761 Cb 0.17 1.34 0.09 0.00 -2.13 0.00 0.00 31.29 30.75 3k1q h VAL 761 CO 0.00 0.00 0.76 0.42 -1.23 0.00 0.00 177.57 177.52 3k1q s THR 762 N -3.19 2.26 0.12 7.19 -4.23 -1.06 -4.23 115.64 112.49 3k1q s THR 762 Ca 0.06 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.71 3k1q s THR 762 Cb 0.12 -3.16 0.10 0.00 1.34 0.00 0.00 72.50 70.90 3k1q s THR 762 CO 0.70 0.06 0.85 1.33 -0.54 0.00 0.00 174.62 177.01 3k1q n VAL 763 N 0.88 -0.31 -3.93 2.29 0.24 -1.26 -3.41 118.33 112.83 3k1q n VAL 763 Ca 0.02 1.29 -0.32 0.00 -2.04 0.00 0.00 64.34 63.29 3k1q n VAL 763 Cb 0.40 -1.69 -0.14 0.00 -1.47 0.00 0.00 33.84 30.95 3k1q n VAL 763 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3k1q s THR 764 N -5.47 2.69 0.30 3.34 -4.23 -1.26 -5.09 115.64 105.91 3k1q s THR 764 Ca -0.07 -2.63 -0.30 0.00 -1.18 0.00 0.00 61.69 57.51 3k1q s THR 764 Cb 0.10 -2.89 -0.12 0.00 1.34 0.00 0.00 72.50 70.93 3k1q s THR 764 CO 0.38 -0.70 1.49 -2.65 -0.54 0.00 0.00 174.62 172.60 3k1q n PRO 765 N 3.92 2.44 -1.69 3.99 -0.02 -1.22 -4.92 135.00 137.50 3k1q n PRO 765 Ca 0.04 0.86 -0.44 0.00 -2.02 0.00 0.00 63.50 61.94 3k1q n PRO 765 Cb 0.39 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.26 3k1q n PRO 765 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3k1q n PRO 766 N 1.64 2.30 -4.53 0.52 -0.02 -1.26 -4.70 135.00 128.95 3k1q n PRO 766 Ca 0.08 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 62.07 3k1q n PRO 766 Cb 0.36 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 3k1q n PRO 766 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k1q s PHE 767 N 0.30 2.39 0.06 6.00 5.36 -1.26 -4.46 117.98 126.35 3k1q s PHE 767 Ca 0.70 -1.20 0.01 0.00 -0.96 0.00 0.00 56.93 55.49 3k1q s PHE 767 Cb -0.60 -1.66 -0.03 0.00 -0.34 0.00 0.00 43.02 40.39 3k1q s PHE 767 CO 0.45 -0.57 -0.06 -0.65 -1.46 0.00 0.00 175.22 172.93 3k1q s GLN 768 N 0.94 0.59 -0.02 10.12 -0.21 -1.26 -1.55 119.66 128.27 3k1q s GLN 768 Ca -0.06 -0.98 0.08 0.00 0.02 0.00 0.00 55.36 54.42 3k1q s GLN 768 Cb -0.15 -0.10 -0.02 0.00 1.00 0.00 0.00 33.01 33.74 3k1q s GLN 768 CO -0.03 -0.02 -0.25 0.54 -2.12 0.00 0.00 175.29 173.41 3k1q s VAL 769 N -2.52 1.98 -0.09 1.09 0.11 -1.26 -4.65 120.40 115.06 3k1q s VAL 769 Ca -0.02 -1.08 -0.37 0.00 -2.93 0.00 0.00 61.98 57.58 3k1q s VAL 769 Cb -0.02 -1.64 -0.15 0.00 -1.53 0.00 0.00 36.38 33.03 3k1q s VAL 769 CO -0.03 0.55 1.63 -0.81 -3.33 0.00 0.00 175.10 173.11 3k1q n PRO 770 N 2.44 1.43 -2.96 1.54 -0.04 -1.26 -4.94 135.00 131.21 3k1q n PRO 770 Ca -0.16 0.52 -0.41 0.00 -0.04 0.00 0.00 63.50 63.42 3k1q n PRO 770 Cb 0.51 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 3k1q n PRO 770 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3k1q s PHE 771 N 2.44 3.54 -0.18 0.54 5.36 -1.26 -4.80 117.98 123.61 3k1q s PHE 771 Ca 0.91 1.31 0.01 0.00 -0.96 0.00 0.00 56.93 58.20 3k1q s PHE 771 Cb -0.93 -2.91 0.02 0.00 -0.34 0.00 0.00 43.02 38.86 3k1q s PHE 771 CO 0.55 -0.03 -0.19 0.95 -1.46 0.00 0.00 175.22 175.04 3k1q s THR 772 N 1.24 2.17 0.00 0.12 -4.23 -1.26 -4.71 115.64 108.96 3k1q s THR 772 Ca 0.40 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3k1q s THR 772 Cb -0.18 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3k1q s THR 772 CO 0.18 0.53 0.55 -2.11 -0.54 0.00 0.00 174.62 173.23 3k1q n ARG 773 N 4.57 0.00 -0.09 3.99 1.85 -1.26 -4.40 116.66 121.31 3k1q n ARG 773 Ca -0.21 0.10 0.10 0.00 -1.00 0.00 0.00 57.85 56.84 3k1q n ARG 773 Cb 0.50 -1.05 0.14 0.00 -1.05 0.00 0.00 32.46 31.00 3k1q n ARG 773 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3k1q n LEU 774 N -0.70 2.94 -4.47 2.89 4.77 -1.26 -4.82 117.00 116.34 3k1q n LEU 774 Ca 0.00 -1.29 -0.43 0.00 -0.03 0.00 0.00 56.01 54.26 3k1q n LEU 774 Cb 0.00 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3k1q n LEU 774 CO 0.00 0.59 1.03 -0.69 -1.33 0.00 0.00 177.39 176.99 3k1q s VAL 775 N -1.46 4.49 0.21 4.08 1.01 -1.26 -4.87 120.40 122.61 3k1q s VAL 775 Ca 0.28 -1.18 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 3k1q s VAL 775 Cb 0.18 -4.81 0.15 0.00 0.00 0.00 0.00 36.38 31.90 3k1q s VAL 775 CO 0.26 -1.58 1.85 -0.61 0.00 0.00 0.00 175.10 175.01 3k1q h GLN 776 N 9.16 0.83 0.00 2.72 4.15 -1.92 -0.93 115.11 129.12 3k1q h GLN 776 Ca 0.08 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3k1q h GLN 776 Cb 1.03 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 3k1q h GLN 776 CO 1.18 0.55 -0.21 -2.95 -1.93 0.00 0.00 178.83 175.47 3k1q h ASN 777 N 0.86 0.00 0.63 -0.69 -1.07 -1.93 -1.62 115.58 111.76 3k1q h ASN 777 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.66 3k1q h ASN 777 Cb 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.29 3k1q h ASN 777 CO -0.12 0.21 -0.66 0.47 0.07 0.00 0.00 177.43 177.40 3k1q n ASP 778 N -4.05 0.61 -4.62 6.14 8.00 -0.43 -0.39 116.55 121.80 3k1q n ASP 778 Ca -0.02 -0.09 -0.38 0.00 0.71 0.00 0.00 54.79 55.00 3k1q n ASP 778 Cb 0.29 0.33 0.04 0.00 -0.02 0.00 0.00 41.12 41.76 3k1q n ASP 778 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3k1q n VAL 779 N -1.84 3.41 -1.67 2.53 0.31 -0.61 -4.84 118.33 115.62 3k1q n VAL 779 Ca 0.04 -0.50 -0.44 0.00 -0.01 0.00 0.00 64.34 63.43 3k1q n VAL 779 Cb 0.40 -1.19 -0.03 0.00 -0.91 0.00 0.00 33.84 32.11 3k1q n VAL 779 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3k1q n ILE 780 N -1.42 0.71 0.00 2.52 5.41 -1.26 -4.34 119.36 120.98 3k1q n ILE 780 Ca 0.12 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3k1q n ILE 780 Cb 0.45 -2.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.17 3k1q n ILE 780 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3k1q n THR 781 N 5.42 0.00 -3.71 1.39 -2.24 -1.24 -4.85 114.28 109.05 3k1q n THR 781 Ca 0.21 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.85 3k1q n THR 781 Cb 0.38 -0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 67.60 3k1q n THR 781 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3k1q s ASN 782 N -4.66 -0.40 -0.30 3.42 3.84 -0.22 -4.34 114.94 112.28 3k1q s ASN 782 Ca 0.00 0.63 0.02 0.00 0.21 0.00 0.00 52.86 53.73 3k1q s ASN 782 Cb 0.00 0.69 0.07 0.00 -0.55 0.00 0.00 41.25 41.46 3k1q s ASN 782 CO 0.00 -0.30 -0.02 -0.69 -2.79 0.00 0.00 177.10 173.30 3k1q s VAL 783 N -0.40 2.40 0.36 -5.21 1.01 -1.26 0.37 120.40 117.66 3k1q s VAL 783 Ca -0.05 -1.85 0.05 0.00 0.00 0.00 0.00 61.98 60.13 3k1q s VAL 783 Cb -0.03 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 3k1q s VAL 783 CO 0.03 -0.26 0.51 -0.76 0.00 0.00 0.00 175.10 174.62 3k1q s LEU 784 N 1.06 3.91 -0.04 3.92 1.43 -0.67 -4.70 118.68 123.60 3k1q s LEU 784 Ca -0.01 -0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 52.74 3k1q s LEU 784 Cb -0.20 -2.83 0.05 0.00 0.03 0.00 0.00 46.19 43.25 3k1q s LEU 784 CO -0.05 -0.49 0.53 0.68 0.23 0.00 0.00 176.35 177.25 3k1q s VAL 785 N -2.25 0.02 -0.30 -1.59 -7.23 -1.26 -0.58 120.40 107.22 3k1q s VAL 785 Ca 0.46 -0.19 -0.04 0.00 -1.81 0.00 0.00 61.98 60.40 3k1q s VAL 785 Cb -0.10 -0.85 0.19 0.00 0.56 0.00 0.00 36.38 36.19 3k1q s VAL 785 CO 0.32 -0.10 0.84 0.00 -0.31 0.00 0.00 175.10 175.85 3k1q s ALA 786 N -1.22 -3.19 -0.99 1.32 0.00 -1.13 -4.98 121.76 111.57 3k1q s ALA 786 Ca -0.12 1.31 0.10 0.00 0.00 0.00 0.00 51.96 53.25 3k1q s ALA 786 Cb -0.02 -2.62 0.41 0.00 0.00 0.00 0.00 23.12 20.89 3k1q s ALA 786 CO 0.08 -1.84 1.31 2.89 0.00 0.00 0.00 175.76 178.19 3k1q n ARG 787 N 5.30 0.00 -4.45 0.00 0.00 -1.26 -2.77 116.66 113.48 3k1q n ARG 787 Ca 0.05 0.34 -0.24 0.00 -0.00 0.00 0.00 57.85 58.00 3k1q n ARG 787 Cb 0.55 -1.51 -0.10 0.00 -0.00 0.00 0.00 32.46 31.41 3k1q n ARG 787 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3k1q s VAL 788 N -3.01 2.57 -0.17 8.89 1.01 -1.26 -1.07 120.40 127.36 3k1q s VAL 788 Ca 0.04 -2.35 -0.38 0.00 0.00 0.00 0.00 61.98 59.30 3k1q s VAL 788 Cb 0.06 -2.37 -0.15 0.00 0.00 0.00 0.00 36.38 33.92 3k1q s VAL 788 CO 0.17 -0.39 1.74 -0.67 0.00 0.00 0.00 175.10 175.96 3k1q n ASP 789 N -0.66 2.66 -0.30 3.32 2.03 -1.26 -4.82 116.55 117.52 3k1q n ASP 789 Ca -0.05 1.05 0.11 0.00 0.52 0.00 0.00 54.79 56.42 3k1q n ASP 789 Cb 0.60 -1.22 0.25 0.00 -0.72 0.00 0.00 41.12 40.03 3k1q n ASP 789 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3k1q h PRO 790 N 7.50 0.11 0.12 -0.67 0.13 -1.95 -2.20 132.00 135.04 3k1q h PRO 790 Ca -0.47 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3k1q h PRO 790 Cb 1.30 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3k1q h PRO 790 CO 0.94 0.07 -0.06 0.00 -0.23 0.00 0.00 178.00 178.73 3k1q h ALA 791 N 1.82 -0.16 -1.66 -0.56 0.00 -2.03 -3.35 119.26 113.32 3k1q h ALA 791 Ca 0.53 -0.25 -0.77 0.00 0.00 0.00 0.00 54.91 54.41 3k1q h ALA 791 Cb 1.04 0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 3k1q h ALA 791 CO -0.74 -0.25 0.65 1.04 0.00 0.00 0.00 179.25 179.96 3k1q n GLN 792 N -4.88 4.68 -1.21 0.00 1.13 -0.86 -4.98 117.38 111.26 3k1q n GLN 792 Ca -0.08 -4.65 0.00 0.00 -1.94 0.00 0.00 57.00 50.33 3k1q n GLN 792 Cb 0.28 -2.44 0.00 0.00 0.11 0.00 0.00 30.24 28.18 3k1q n GLN 792 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3k1q n ARG 793 N 0.45 2.09 -4.05 -1.09 1.85 -0.98 -4.15 116.66 110.78 3k1q n ARG 793 Ca 0.37 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.86 3k1q n ARG 793 Cb 0.31 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.64 3k1q n ARG 793 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3k1q s GLY 794 N -0.60 2.02 -0.97 2.89 0.00 -1.26 -5.02 107.32 104.37 3k1q s GLY 794 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 43.89 3k1q s GLY 794 CO 0.00 -0.35 2.20 1.34 0.00 0.00 0.00 173.10 176.29 3k1q n ASP 795 N 2.34 -1.04 -2.56 1.64 -0.08 -1.26 -4.50 116.55 111.09 3k1q n ASP 795 Ca -0.19 -0.64 0.00 0.00 -1.51 0.00 0.00 54.79 52.45 3k1q n ASP 795 Cb 0.54 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.33 3k1q n ASP 795 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k1q n ALA 796 N 7.19 0.00 -0.44 -1.67 0.00 -1.26 -4.97 120.51 119.36 3k1q n ALA 796 Ca 0.65 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.89 3k1q n ALA 796 Cb 0.17 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.63 3k1q n ALA 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n ALA 797 N 1.93 -1.05 0.00 0.00 0.00 -1.26 -3.97 120.51 116.16 3k1q n ALA 797 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3k1q n ALA 797 Cb 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3k1q n ALA 797 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k1q n VAL 798 N -1.59 0.00 -2.06 0.00 0.31 -1.26 -4.89 118.33 108.85 3k1q n VAL 798 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3k1q n VAL 798 Cb 0.24 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.16 3k1q n VAL 798 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3k1q s ASP 799 N 0.00 6.40 0.22 4.52 1.01 -1.25 -4.78 116.67 122.78 3k1q s ASP 799 Ca 0.00 2.67 0.04 0.00 0.71 0.00 0.00 52.55 55.97 3k1q s ASP 799 Cb 0.00 -2.64 0.59 0.00 1.01 0.00 0.00 42.92 41.88 3k1q s ASP 799 CO 0.00 -0.79 1.05 2.30 0.21 0.00 0.00 175.17 177.94 3k1q n ILE 800 N 0.27 -0.28 -0.25 0.77 -5.35 -1.26 -1.29 119.36 111.96 3k1q n ILE 800 Ca 0.03 1.45 -0.02 0.00 -0.27 0.00 0.00 62.75 63.94 3k1q n ILE 800 Cb 0.43 -2.17 0.00 0.00 -1.74 0.00 0.00 39.64 36.16 3k1q n ILE 800 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3k1q n ARG 801 N -4.82 -0.18 0.10 6.28 -4.01 -1.26 -0.04 116.66 112.73 3k1q n ARG 801 Ca 0.18 0.96 0.08 0.00 -1.04 0.00 0.00 57.85 58.03 3k1q n ARG 801 Cb 0.59 -1.42 0.40 0.00 -3.04 0.00 0.00 32.46 28.98 3k1q n ARG 801 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3k1q n ALA 802 N -3.63 1.27 -0.21 2.89 0.00 -0.41 -2.84 120.51 117.58 3k1q n ALA 802 Ca 0.05 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 3k1q n ALA 802 Cb 0.23 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.45 3k1q n ALA 802 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3k1q h THR 803 N 0.00 1.27 -2.60 0.00 1.35 -0.64 -3.44 112.91 108.84 3k1q h THR 803 Ca 0.00 -1.19 -0.53 0.00 -0.55 0.00 0.00 66.41 64.14 3k1q h THR 803 Cb 0.13 0.83 0.03 0.00 -1.73 0.00 0.00 68.15 67.40 3k1q h THR 803 CO 0.00 0.43 1.06 -1.00 -0.25 0.00 0.00 175.52 175.76 3k1q s HIS 804 N -4.99 2.26 0.49 4.73 3.76 -1.13 -4.93 115.29 115.48 3k1q s HIS 804 Ca -0.12 0.12 0.40 0.00 -0.15 0.00 0.00 55.06 55.32 3k1q s HIS 804 Cb 0.13 -4.09 2.06 0.00 1.11 0.00 0.00 32.58 31.80 3k1q s HIS 804 CO 0.86 -4.45 2.24 0.00 -0.85 0.00 0.00 174.74 172.55 3k1q h ALA 805 N 8.47 1.03 -1.02 -1.40 0.00 -1.91 -3.46 119.26 120.98 3k1q h ALA 805 Ca -0.45 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 53.84 3k1q h ALA 805 Cb 1.21 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.87 3k1q h ALA 805 CO 0.94 0.01 -0.52 0.95 0.00 0.00 0.00 179.25 180.63 3k1q s THR 806 N -4.03 0.92 0.33 0.00 -4.23 -1.26 -5.03 115.64 102.35 3k1q s THR 806 Ca -0.03 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.58 3k1q s THR 806 Cb 0.12 -2.28 0.36 0.00 1.34 0.00 0.00 72.50 72.04 3k1q s THR 806 CO 0.46 0.00 1.60 2.19 -0.54 0.00 0.00 174.62 178.33 3k1q h PHE 807 N 1.58 0.44 -2.25 3.99 -5.15 -1.89 -3.38 116.94 110.28 3k1q h PHE 807 Ca -0.40 0.05 -0.04 0.00 -0.20 0.00 0.00 57.97 57.38 3k1q h PHE 807 Cb 1.29 -0.03 -0.23 0.00 0.22 0.00 0.00 35.95 37.20 3k1q h PHE 807 CO 1.48 -0.37 -0.07 0.00 -2.00 0.00 0.00 178.31 177.35 3k1q s ALA 808 N -5.79 -1.55 -0.19 12.09 0.00 -1.26 -4.12 121.76 120.94 3k1q s ALA 808 Ca -0.11 1.98 -0.13 0.00 0.00 0.00 0.00 51.96 53.71 3k1q s ALA 808 Cb 0.30 -1.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 3k1q s ALA 808 CO 0.78 -0.32 0.70 0.00 0.00 0.00 0.00 175.76 176.92 3k1q n ALA 809 N 3.86 0.07 -2.74 0.00 0.00 -1.17 -4.40 120.51 116.13 3k1q n ALA 809 Ca -0.19 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 3k1q n ALA 809 Cb 0.57 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 3k1q n ALA 809 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q s ALA 810 N 2.06 3.46 -0.12 0.00 0.00 -1.26 -0.42 121.76 125.48 3k1q s ALA 810 Ca 0.38 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3k1q s ALA 810 Cb -0.45 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 3k1q s ALA 810 CO 0.19 0.67 -0.20 -1.17 0.00 0.00 0.00 175.76 175.25 3k1q s LEU 811 N -1.64 2.30 -0.03 0.00 2.96 0.14 -4.92 118.68 117.49 3k1q s LEU 811 Ca 0.21 -0.49 -0.24 0.00 -0.22 0.00 0.00 54.13 53.38 3k1q s LEU 811 Cb -0.12 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3k1q s LEU 811 CO 0.12 0.14 0.74 -2.16 -1.32 0.00 0.00 176.35 173.87 3k1q s PRO 812 N 0.45 4.46 0.48 0.98 0.04 -1.26 -0.63 135.00 139.51 3k1q s PRO 812 Ca -0.14 0.97 0.04 0.00 0.04 0.00 0.00 61.00 61.90 3k1q s PRO 812 Cb -0.17 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 30.98 3k1q s PRO 812 CO 0.06 0.11 0.31 1.33 0.04 0.00 0.00 177.00 178.85 3k1q n VAL 813 N 3.53 0.00 -3.79 -0.36 0.24 0.99 -4.89 118.33 114.06 3k1q n VAL 813 Ca -0.01 -1.94 -0.37 0.00 -2.04 0.00 0.00 64.34 59.97 3k1q n VAL 813 Cb 0.51 -0.01 -0.13 0.00 -1.47 0.00 0.00 33.84 32.74 3k1q n VAL 813 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3k1q s ASP 814 N -3.78 5.22 0.24 -1.34 2.15 -1.26 -3.16 116.67 114.74 3k1q s ASP 814 Ca 0.23 -1.21 -0.06 0.00 0.43 0.00 0.00 52.55 51.94 3k1q s ASP 814 Cb -0.02 -1.83 0.32 0.00 -0.30 0.00 0.00 42.92 41.09 3k1q s ASP 814 CO 0.15 -0.32 1.86 -0.65 -0.17 0.00 0.00 175.17 176.03 3k1q h PRO 815 N 8.16 0.96 -0.91 4.34 0.11 -1.95 -2.96 132.00 139.75 3k1q h PRO 815 Ca -0.22 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 65.92 3k1q h PRO 815 Cb 1.08 -0.22 -0.12 0.00 0.11 0.00 0.00 31.00 31.85 3k1q h PRO 815 CO 0.59 0.64 -0.57 0.00 -0.21 0.00 0.00 178.00 178.45 3k1q h ALA 816 N 1.39 -0.52 -0.55 -0.75 0.00 -1.94 -1.73 119.26 115.17 3k1q h ALA 816 Ca 0.37 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.43 3k1q h ALA 816 Cb 0.14 1.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 3k1q h ALA 816 CO -0.16 -0.95 0.32 0.00 0.00 0.00 0.00 179.25 178.46 3k1q h ALA 817 N 0.50 0.71 -0.68 0.00 0.00 -1.92 -0.02 119.26 117.84 3k1q h ALA 817 Ca 0.16 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 817 Cb 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3k1q h ALA 817 CO -0.89 0.02 0.20 0.82 0.00 0.00 0.00 179.25 179.39 3k1q h ILE 818 N 0.63 1.25 0.09 0.00 2.04 -1.39 -2.03 117.51 118.09 3k1q h ILE 818 Ca 0.23 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3k1q h ILE 818 Cb 0.06 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3k1q h ILE 818 CO -0.11 0.34 -0.08 0.58 0.00 0.00 0.00 178.15 178.88 3k1q h VAL 819 N 1.01 0.83 0.01 1.67 2.07 -0.71 0.30 116.25 121.43 3k1q h VAL 819 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 3k1q h VAL 819 Cb 0.31 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3k1q h VAL 819 CO -0.01 0.00 -0.03 0.58 0.02 0.00 0.00 177.57 178.14 3k1q h VAL 820 N -0.18 0.93 -0.89 2.57 2.07 -0.68 -1.95 116.25 118.12 3k1q h VAL 820 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3k1q h VAL 820 Cb 0.16 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3k1q h VAL 820 CO -0.01 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.14 3k1q h ALA 821 N 0.94 1.21 -0.46 1.67 0.00 -1.30 0.56 119.26 121.87 3k1q h ALA 821 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3k1q h ALA 821 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3k1q h ALA 821 CO -0.02 0.37 0.23 0.52 0.00 0.00 0.00 179.25 180.35 3k1q h MET 822 N 1.07 0.64 0.00 0.00 2.86 0.13 -2.81 114.93 116.81 3k1q h MET 822 Ca 0.37 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.85 3k1q h MET 822 Cb 0.10 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3k1q h MET 822 CO -0.15 0.49 -1.06 -0.07 1.06 0.00 0.00 176.91 177.17 3k1q h LEU 823 N 0.64 0.00 -4.41 1.22 3.38 -0.56 -3.42 115.31 112.16 3k1q h LEU 823 Ca 0.16 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.58 3k1q h LEU 823 Cb 0.05 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.38 3k1q h LEU 823 CO -0.02 0.35 -0.80 0.00 0.09 0.00 0.00 178.44 178.06 3k1q s GLY 825 N -3.53 1.13 0.25 0.00 0.00 -1.13 0.54 107.32 104.59 3k1q s GLY 825 Ca 0.46 -1.38 0.09 0.00 0.00 0.00 0.00 44.72 43.89 3k1q s GLY 825 CO -0.12 1.27 0.05 1.20 0.00 0.00 0.00 173.10 175.51 3k1q s GLN 826 N 1.54 2.48 0.12 2.90 1.11 0.94 -0.37 119.66 128.38 3k1q s GLN 826 Ca 0.02 -1.29 0.02 0.00 0.01 0.00 0.00 55.36 54.11 3k1q s GLN 826 Cb -0.18 -2.29 -0.04 0.00 -1.01 0.00 0.00 33.01 29.50 3k1q s GLN 826 CO -0.13 0.38 0.24 0.95 0.01 0.00 0.00 175.29 176.74 3k1q s THR 827 N -2.22 5.23 0.30 -0.19 -4.23 -1.26 -0.84 115.64 112.43 3k1q s THR 827 Ca 0.31 -0.63 -0.28 0.00 -1.18 0.00 0.00 61.69 59.91 3k1q s THR 827 Cb -0.07 -3.64 -0.09 0.00 1.34 0.00 0.00 72.50 70.03 3k1q s THR 827 CO 0.21 -0.01 1.05 -1.61 -0.54 0.00 0.00 174.62 173.72 3k1q s GLU 828 N -2.96 4.56 0.27 3.99 2.02 -1.26 -4.91 118.70 120.41 3k1q s GLU 828 Ca 0.34 1.65 -0.10 0.00 0.02 0.00 0.00 54.97 56.88 3k1q s GLU 828 Cb -0.12 -3.03 0.41 0.00 0.10 0.00 0.00 34.13 31.50 3k1q s GLU 828 CO 0.28 0.19 1.57 1.79 0.02 0.00 0.00 175.26 179.10 3k1q h THR 829 N 2.86 0.04 -2.33 3.63 1.35 -2.00 -3.28 112.91 113.17 3k1q h THR 829 Ca -0.47 0.00 -0.73 0.00 -0.55 0.00 0.00 66.41 64.67 3k1q h THR 829 Cb 1.21 0.04 -0.33 0.00 -1.73 0.00 0.00 68.15 67.34 3k1q h THR 829 CO 0.66 0.00 0.37 0.59 -0.25 0.00 0.00 175.52 176.88 3k1q n ASN 830 N -5.59 6.11 -4.43 5.36 4.13 -1.26 -4.93 115.26 114.64 3k1q n ASN 830 Ca 0.14 -3.64 -0.44 0.00 1.68 0.00 0.00 54.58 52.32 3k1q n ASN 830 Cb 0.47 -0.95 -0.08 0.00 -1.54 0.00 0.00 39.78 37.67 3k1q n ASN 830 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3k1q s LEU 831 N -3.77 5.28 -0.70 3.41 2.96 -1.24 -4.98 118.68 119.65 3k1q s LEU 831 Ca 0.41 -1.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.32 3k1q s LEU 831 Cb 0.20 -2.23 0.17 0.00 0.50 0.00 0.00 46.19 44.83 3k1q s LEU 831 CO -0.10 -0.59 0.49 -0.63 -1.32 0.00 0.00 176.35 174.20 3k1q s ILE 832 N 1.81 2.97 0.16 6.68 1.09 -1.26 -5.02 121.20 127.62 3k1q s ILE 832 Ca 0.06 -4.14 -0.24 0.00 -1.10 0.00 0.00 60.65 55.24 3k1q s ILE 832 Cb -0.21 -2.95 0.02 0.00 -1.06 0.00 0.00 42.46 38.25 3k1q s ILE 832 CO 0.09 -0.99 1.35 -0.81 -0.10 0.00 0.00 174.94 174.49 3k1q n PRO 833 N 2.13 -0.34 -0.16 2.79 -0.04 -1.26 -0.40 135.00 137.72 3k1q n PRO 833 Ca 0.18 1.33 -0.03 0.00 -0.04 0.00 0.00 63.50 64.94 3k1q n PRO 833 Cb 0.35 -1.96 0.04 0.00 -0.04 0.00 0.00 33.50 31.88 3k1q n PRO 833 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k1q h SER 834 N 0.00 -0.49 -0.15 3.54 4.64 -1.99 0.34 113.55 119.44 3k1q h SER 834 Ca 0.19 0.15 0.04 0.00 -0.47 0.00 0.00 61.79 61.70 3k1q h SER 834 Cb 0.41 0.32 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 3k1q h SER 834 CO -0.84 -0.17 -0.10 -0.74 -0.87 0.00 0.00 176.83 174.11 3k1q h HIS 835 N -0.01 -0.25 0.43 4.77 -0.00 -1.77 -3.09 115.15 115.23 3k1q h HIS 835 Ca 0.24 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 3k1q h HIS 835 Cb 0.37 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 3k1q h HIS 835 CO -0.43 -0.16 -0.30 0.45 -0.00 0.00 0.00 177.93 177.49 3k1q h HIS 836 N -0.10 -0.78 0.00 5.26 3.86 0.11 -2.54 115.15 120.95 3k1q h HIS 836 Ca 0.09 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3k1q h HIS 836 Cb 0.24 0.29 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 3k1q h HIS 836 CO -0.24 -0.45 -0.01 1.88 0.86 0.00 0.00 177.93 179.97 3k1q h TYR 837 N -0.71 0.00 0.20 2.45 -1.99 -1.16 0.19 116.97 115.95 3k1q h TYR 837 Ca -0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 3k1q h TYR 837 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 3k1q h TYR 837 CO -0.12 0.01 -0.10 0.78 -0.00 0.00 0.00 178.16 178.73 3k1q h GLY 838 N 0.08 -0.28 2.00 3.88 0.00 -1.37 0.27 103.07 107.65 3k1q h GLY 838 Ca -0.00 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3k1q h GLY 838 CO 0.00 -0.10 -0.01 0.50 0.00 0.00 0.00 176.54 176.93 3k1q h LYS 839 N -0.72 0.00 0.09 4.80 1.79 -1.16 -2.31 116.57 119.06 3k1q h LYS 839 Ca -0.03 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.18 3k1q h LYS 839 Cb 0.50 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.16 3k1q h LYS 839 CO 0.04 0.01 -1.15 0.00 -1.08 0.00 0.00 179.45 177.28 3k1q h ALA 840 N 1.99 0.16 -0.35 3.86 0.00 -0.49 -3.38 119.26 121.04 3k1q h ALA 840 Ca -0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 54.91 53.97 3k1q h ALA 840 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3k1q h ALA 840 CO 0.00 0.83 -0.35 0.35 0.00 0.00 0.00 179.25 180.08 3k1q h PHE 841 N 0.18 0.97 0.53 0.00 3.57 -0.85 -3.31 116.94 118.03 3k1q h PHE 841 Ca -0.13 -0.27 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 3k1q h PHE 841 Cb 1.82 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 40.36 3k1q h PHE 841 CO 0.08 1.05 -0.25 0.00 -2.23 0.00 0.00 178.31 176.96 3k1q h ALA 842 N 0.92 -0.71 -0.30 2.41 0.00 -1.59 0.17 119.26 120.16 3k1q h ALA 842 Ca 0.06 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3k1q h ALA 842 Cb 0.91 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3k1q h ALA 842 CO 0.08 -0.76 -0.02 -1.35 0.00 0.00 0.00 179.25 177.20 3k1q h PRO 843 N -0.97 0.07 -0.03 0.00 0.11 -1.77 -1.86 132.00 127.55 3k1q h PRO 843 Ca -0.07 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.05 3k1q h PRO 843 Cb 0.62 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.67 3k1q h PRO 843 CO 0.12 0.04 -0.46 1.25 -0.21 0.00 0.00 178.00 178.74 3k1q h LEU 844 N 0.07 -1.44 -1.97 2.35 5.85 -1.61 -2.88 115.31 115.67 3k1q h LEU 844 Ca 0.14 0.16 0.15 0.00 0.84 0.00 0.00 57.88 59.18 3k1q h LEU 844 Cb 0.20 0.55 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3k1q h LEU 844 CO -0.26 -0.44 0.38 0.15 -0.34 0.00 0.00 178.44 177.93 3k1q h PHE 845 N -0.56 0.03 -0.99 1.25 3.57 -0.71 -1.87 116.94 117.67 3k1q h PHE 845 Ca 0.01 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.66 3k1q h PHE 845 Cb 0.61 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.25 3k1q h PHE 845 CO -0.52 0.01 0.62 0.00 -2.23 0.00 0.00 178.31 176.20 3k1q h ALA 846 N 1.74 1.62 -0.55 2.41 0.00 -1.11 0.26 119.26 123.62 3k1q h ALA 846 Ca 0.25 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.96 3k1q h ALA 846 Cb 0.97 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.47 3k1q h ALA 846 CO -0.01 0.09 0.30 0.45 0.00 0.00 0.00 179.25 180.09 3k1q n SER 847 N -4.66 3.58 -4.76 0.00 2.88 -0.70 -4.69 113.62 105.28 3k1q n SER 847 Ca 0.20 -2.88 -0.35 0.00 -1.33 0.00 0.00 58.87 54.51 3k1q n SER 847 Cb 0.45 -0.69 0.04 0.00 -0.75 0.00 0.00 64.21 63.26 3k1q n SER 847 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3k1q s ASN 848 N -0.43 5.16 -0.01 -3.46 2.20 0.08 -4.99 114.94 113.50 3k1q s ASN 848 Ca 0.35 2.30 0.11 0.00 -0.94 0.00 0.00 52.86 54.68 3k1q s ASN 848 Cb 0.28 -2.59 -0.16 0.00 -2.00 0.00 0.00 41.25 36.79 3k1q s ASN 848 CO 0.08 -1.60 0.32 0.00 -2.94 0.00 0.00 177.10 172.96 3k1q n ALA 849 N -1.76 2.76 0.00 3.54 0.00 -1.26 -4.90 120.51 118.89 3k1q n ALA 849 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3k1q n ALA 849 Cb 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3k1q n ALA 849 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3k1q n MET 850 N -1.69 0.00 -0.09 0.00 0.00 -1.26 -1.16 117.12 112.92 3k1q n MET 850 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.65 3k1q n MET 850 Cb 0.26 0.00 0.16 0.00 0.00 0.00 0.00 33.22 33.63 3k1q n MET 850 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 3k1q h PHE 851 N 0.00 0.82 0.00 1.12 -1.00 -1.97 -2.42 116.94 113.49 3k1q h PHE 851 Ca 0.00 -0.13 -0.11 0.00 2.81 0.00 0.00 57.97 60.54 3k1q h PHE 851 Cb 0.00 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.33 3k1q h PHE 851 CO 0.00 0.79 -0.53 0.00 -1.61 0.00 0.00 178.31 176.96 3k1q h THR 852 N 0.70 1.24 -0.12 -1.55 1.03 -1.53 -3.01 112.91 109.67 3k1q h THR 852 Ca 0.13 -1.90 -0.13 0.00 -0.01 0.00 0.00 66.41 64.50 3k1q h THR 852 Cb 0.50 2.07 -0.01 0.00 -1.07 0.00 0.00 68.15 69.64 3k1q h THR 852 CO 0.03 0.52 -0.49 -0.09 -0.01 0.00 0.00 175.52 175.48 3k1q h ARG 853 N 0.00 0.32 -0.56 0.00 2.43 -1.31 -1.77 114.38 113.49 3k1q h ARG 853 Ca -0.01 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3k1q h ARG 853 Cb 1.02 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 3k1q h ARG 853 CO 0.07 0.74 0.32 -0.91 -1.51 0.00 0.00 179.97 178.67 3k1q h ASN 854 N 0.25 0.68 0.70 -3.80 2.35 -1.39 -1.54 115.58 112.84 3k1q h ASN 854 Ca 0.01 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3k1q h ASN 854 Cb 0.95 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 39.16 3k1q h ASN 854 CO 0.08 0.54 -0.34 1.56 -1.65 0.00 0.00 177.43 177.62 3k1q h GLN 855 N 0.78 -0.91 -0.79 0.81 4.20 -1.38 -2.81 115.11 115.00 3k1q h GLN 855 Ca 0.20 0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.10 3k1q h GLN 855 Cb 0.00 0.21 -0.13 0.00 0.30 0.00 0.00 27.48 27.86 3k1q h GLN 855 CO -0.03 -0.58 -0.28 -2.13 -0.67 0.00 0.00 178.83 175.14 3k1q n ARG 856 N -5.44 -0.15 -0.21 1.46 0.63 -0.68 -2.15 116.66 110.12 3k1q n ARG 856 Ca -0.13 1.22 0.01 0.00 -0.92 0.00 0.00 57.85 58.03 3k1q n ARG 856 Cb 0.39 -1.81 0.10 0.00 0.45 0.00 0.00 32.46 31.59 3k1q n ARG 856 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k1q h ALA 857 N 1.21 0.60 -0.46 5.13 0.00 -1.10 -0.09 119.26 124.56 3k1q h ALA 857 Ca 0.30 0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.30 3k1q h ALA 857 Cb 0.50 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3k1q h ALA 857 CO -0.79 -0.40 -0.11 0.28 0.00 0.00 0.00 179.25 178.23 3k1q h VAL 858 N 0.11 1.27 -0.36 0.00 2.07 -1.18 -1.11 116.25 117.05 3k1q h VAL 858 Ca 0.33 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.67 3k1q h VAL 858 Cb 0.53 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3k1q h VAL 858 CO -0.54 0.43 -0.02 0.40 0.02 0.00 0.00 177.57 177.85 3k1q h ILE 859 N 0.73 0.71 -0.41 4.57 1.08 -1.15 -2.47 117.51 120.57 3k1q h ILE 859 Ca 0.12 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 3k1q h ILE 859 Cb 0.66 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 3k1q h ILE 859 CO 0.05 0.01 0.23 0.74 -0.69 0.00 0.00 178.15 178.49 3k1q h THR 860 N 0.08 1.15 -0.36 -0.27 2.02 -0.57 0.36 112.91 115.32 3k1q h THR 860 Ca 0.17 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 67.04 3k1q h THR 860 Cb 0.25 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 3k1q h THR 860 CO -0.31 0.15 -0.54 -0.09 0.37 0.00 0.00 175.52 175.10 3k1q h ARG 861 N 0.54 -0.41 -0.39 6.66 2.43 -1.14 -1.51 114.38 120.55 3k1q h ARG 861 Ca 0.15 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.46 3k1q h ARG 861 Cb 0.04 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3k1q h ARG 861 CO -0.02 -0.27 0.28 0.93 -1.51 0.00 0.00 179.97 179.37 3k1q h GLU 862 N -0.43 0.00 0.74 0.20 4.39 -1.23 -2.03 114.58 116.23 3k1q h GLU 862 Ca 0.07 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3k1q h GLU 862 Cb 0.61 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 3k1q h GLU 862 CO -0.56 0.00 -0.36 0.00 -1.16 0.00 0.00 179.01 176.93 3k1q h ALA 863 N 1.80 -1.00 -0.86 3.43 0.00 -0.47 -0.75 119.26 121.41 3k1q h ALA 863 Ca 0.19 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 55.04 3k1q h ALA 863 Cb 0.75 0.39 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 3k1q h ALA 863 CO -0.00 -0.94 -0.27 0.74 0.00 0.00 0.00 179.25 178.78 3k1q h PHE 864 N -1.24 -0.64 -0.62 0.00 0.05 -1.15 0.52 116.94 113.87 3k1q h PHE 864 Ca -0.10 0.08 -0.10 0.00 3.82 0.00 0.00 57.97 61.67 3k1q h PHE 864 Cb 0.77 0.41 -0.02 0.00 2.00 0.00 0.00 35.95 39.12 3k1q h PHE 864 CO 0.00 -0.38 0.01 -0.24 -0.18 0.00 0.00 178.31 177.52 3k1q h VAL 865 N -0.02 1.27 -0.28 -0.55 3.04 -1.37 -1.36 116.25 116.98 3k1q h VAL 865 Ca 0.38 -1.15 -0.10 0.00 -1.01 0.00 0.00 66.70 64.83 3k1q h VAL 865 Cb 0.62 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 3k1q h VAL 865 CO -0.89 0.42 -0.23 0.00 -1.01 0.00 0.00 177.57 175.86 3k1q h ALA 867 N 1.27 1.49 0.82 0.00 0.00 -0.81 -1.28 119.26 120.75 3k1q h ALA 867 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3k1q h ALA 867 Cb 0.67 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3k1q h ALA 867 CO 0.05 0.47 -0.40 0.00 0.00 0.00 0.00 179.25 179.37 3k1q h ARG 868 N 0.95 -1.07 -0.77 0.00 3.08 -0.05 -2.36 114.38 114.17 3k1q h ARG 868 Ca 0.26 0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.46 3k1q h ARG 868 Cb -0.10 0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 3k1q h ARG 868 CO -0.05 -0.71 0.43 0.66 -1.07 0.00 0.00 179.97 179.23 3k1q h SER 869 N -1.17 0.63 0.42 7.04 4.64 -1.24 -1.76 113.55 122.11 3k1q h SER 869 Ca -0.11 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3k1q h SER 869 Cb 0.85 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 3k1q h SER 869 CO 0.19 0.38 -0.50 0.00 -0.87 0.00 0.00 176.83 176.02 3k1q h ALA 870 N 1.41 -1.12 -0.76 5.18 0.00 -1.32 -3.10 119.26 119.56 3k1q h ALA 870 Ca 0.36 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.19 3k1q h ALA 870 Cb 0.29 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3k1q h ALA 870 CO -0.22 -1.16 0.50 -0.24 0.00 0.00 0.00 179.25 178.12 3k1q h VAL 871 N -0.93 0.96 0.00 0.00 3.04 -0.90 -2.02 116.25 116.40 3k1q h VAL 871 Ca -0.05 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 3k1q h VAL 871 Cb 0.83 0.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.29 3k1q h VAL 871 CO -0.10 0.13 -0.09 0.00 -1.01 0.00 0.00 177.57 176.50 3k1q h ALA 872 N 1.61 1.26 0.00 3.17 0.00 -1.30 -1.76 119.26 122.24 3k1q h ALA 872 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3k1q h ALA 872 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3k1q h ALA 872 CO -0.13 0.11 0.00 0.94 0.00 0.00 0.00 179.25 180.17 3k1q n GLN 873 N -3.57 0.01 -0.04 0.00 -0.06 -0.76 -4.21 117.38 108.76 3k1q n GLN 873 Ca -0.02 0.12 -0.17 0.00 -2.00 0.00 0.00 57.00 54.93 3k1q n GLN 873 Cb 0.21 -1.50 -0.14 0.00 -4.06 0.00 0.00 30.24 24.75 3k1q n GLN 873 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3k1q s GLN 875 N -2.55 1.33 -0.90 0.00 -2.07 -0.94 -3.19 119.66 111.34 3k1q s GLN 875 Ca -0.21 -1.61 -0.25 0.00 -1.82 0.00 0.00 55.36 51.48 3k1q s GLN 875 Cb 0.07 -1.01 -0.04 0.00 -1.09 0.00 0.00 33.01 30.94 3k1q s GLN 875 CO 0.75 0.12 1.92 -0.51 -1.32 0.00 0.00 175.29 176.24 3k1q s ASP 876 N -3.31 5.22 -0.01 12.60 1.01 -1.26 -4.61 116.67 126.30 3k1q s ASP 876 Ca 0.23 -0.69 0.07 0.00 0.71 0.00 0.00 52.55 52.88 3k1q s ASP 876 Cb 0.01 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 3k1q s ASP 876 CO 0.07 -2.67 -0.22 0.00 0.21 0.00 0.00 175.17 172.56 3k1q s ALA 877 N 9.77 2.34 -0.22 5.23 0.00 -1.26 -5.04 121.76 132.58 3k1q s ALA 877 Ca 0.69 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3k1q s ALA 877 Cb -0.06 -0.65 0.32 0.00 0.00 0.00 0.00 23.12 22.72 3k1q s ALA 877 CO -0.01 0.54 1.45 0.41 0.00 0.00 0.00 175.76 178.15 3k1q n GLY 878 N 2.20 3.21 3.76 0.00 0.00 -1.26 -4.89 105.19 108.22 3k1q n GLY 878 Ca -0.16 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 3k1q n GLY 878 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k1q s PHE 879 N -1.59 3.80 -0.84 1.61 5.36 -1.26 -4.93 117.98 120.13 3k1q s PHE 879 Ca 0.28 1.83 -0.25 0.00 -0.96 0.00 0.00 56.93 57.83 3k1q s PHE 879 Cb 0.23 -2.99 -0.02 0.00 -0.34 0.00 0.00 43.02 39.90 3k1q s PHE 879 CO 0.05 0.22 1.79 -1.17 -1.46 0.00 0.00 175.22 174.65 3k1q s LEU 880 N -1.64 3.25 -0.28 6.12 2.96 -1.26 -4.85 118.68 122.98 3k1q s LEU 880 Ca 0.46 -0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 53.66 3k1q s LEU 880 Cb -0.23 -2.55 0.08 0.00 0.50 0.00 0.00 46.19 43.99 3k1q s LEU 880 CO 0.29 -2.38 0.70 0.54 -1.32 0.00 0.00 176.35 174.19 3k1q s VAL 881 N 8.63 0.00 0.67 1.68 0.11 -1.26 -5.06 120.40 125.17 3k1q s VAL 881 Ca 0.63 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.50 3k1q s VAL 881 Cb -0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 3k1q s VAL 881 CO 0.04 0.00 1.26 -2.84 -3.33 0.00 0.00 175.10 170.23 3k1q s PRO 882 N 1.55 2.44 -0.77 1.54 0.02 -1.26 -5.02 135.00 133.50 3k1q s PRO 882 Ca -0.09 1.94 0.03 0.00 0.02 0.00 0.00 61.00 62.90 3k1q s PRO 882 Cb -0.05 -1.85 0.26 0.00 0.02 0.00 0.00 34.50 32.89 3k1q s PRO 882 CO -0.19 -1.65 0.95 0.54 -0.33 0.00 0.00 177.00 176.32 3k1q n ARG 883 N -2.16 3.07 -0.04 5.54 1.74 -1.26 -4.93 116.66 118.63 3k1q n ARG 883 Ca 0.15 -4.64 -0.09 0.00 -0.77 0.00 0.00 57.85 52.50 3k1q n ARG 883 Cb 0.49 -2.33 -0.03 0.00 -1.02 0.00 0.00 32.46 29.57 3k1q n ARG 883 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3k1q h PRO 884 N 4.56 0.07 -1.05 5.56 0.13 -1.98 -3.05 132.00 136.24 3k1q h PRO 884 Ca 0.20 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3k1q h PRO 884 Cb 0.65 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3k1q h PRO 884 CO 0.98 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 180.07 3k1q n LEU 885 N -5.12 2.20 0.22 1.56 4.77 -1.26 -4.46 117.00 114.92 3k1q n LEU 885 Ca -0.03 -1.10 0.15 0.00 -0.03 0.00 0.00 56.01 55.00 3k1q n LEU 885 Cb 0.10 -0.45 0.80 0.00 -2.33 0.00 0.00 43.42 41.54 3k1q n LEU 885 CO 0.27 0.39 1.13 0.44 -1.33 0.00 0.00 177.39 178.29 3k1q h ASP 886 N 0.18 0.00 0.52 -1.43 3.45 -1.93 -1.26 116.42 115.95 3k1q h ASP 886 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3k1q h ASP 886 Cb 0.77 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3k1q h ASP 886 CO 0.00 0.00 -0.38 0.00 -1.57 0.00 0.00 179.24 177.29 3k1q n ALA 887 N -2.40 3.28 -2.69 3.45 0.00 -1.26 -4.90 120.51 115.98 3k1q n ALA 887 Ca 0.00 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.71 3k1q n ALA 887 Cb 0.23 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 3k1q n ALA 887 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3k1q s LEU 888 N -2.90 4.27 0.10 0.00 2.96 -0.48 -4.68 118.68 117.95 3k1q s LEU 888 Ca 0.14 1.36 -0.33 0.00 -0.22 0.00 0.00 54.13 55.09 3k1q s LEU 888 Cb 0.18 -3.34 -0.12 0.00 0.50 0.00 0.00 46.19 43.41 3k1q s LEU 888 CO 0.64 -0.30 1.74 0.54 -1.32 0.00 0.00 176.35 177.64 3k1q n ARG 889 N 4.51 2.40 -3.60 1.98 1.74 -1.26 -4.61 116.66 117.82 3k1q n ARG 889 Ca 0.04 0.87 -0.03 0.00 -0.77 0.00 0.00 57.85 57.97 3k1q n ARG 889 Cb 0.50 -2.70 -0.06 0.00 -1.02 0.00 0.00 32.46 29.18 3k1q n ARG 889 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3k1q s GLN 890 N 2.21 0.51 0.36 5.56 2.00 -1.22 -1.00 119.66 128.07 3k1q s GLN 890 Ca 0.83 1.02 -0.26 0.00 -2.00 0.00 0.00 55.36 54.95 3k1q s GLN 890 Cb -0.61 0.34 -0.09 0.00 0.80 0.00 0.00 33.01 33.45 3k1q s GLN 890 CO 0.40 -0.13 1.10 -0.59 -0.50 0.00 0.00 175.29 175.57 3k1q s PHE 891 N 1.98 3.32 -0.60 1.67 -0.12 0.40 -5.00 117.98 119.63 3k1q s PHE 891 Ca -0.07 1.64 -0.26 0.00 -0.05 0.00 0.00 56.93 58.18 3k1q s PHE 891 Cb -0.06 -3.24 -0.06 0.00 -0.63 0.00 0.00 43.02 39.03 3k1q s PHE 891 CO -0.18 -0.78 2.17 0.34 -0.05 0.00 0.00 175.22 176.72 3k1q s ASP 892 N -1.24 4.74 0.61 1.98 -1.08 -1.26 -4.87 116.67 115.55 3k1q s ASP 892 Ca 0.53 0.55 -0.18 0.00 -0.52 0.00 0.00 52.55 52.94 3k1q s ASP 892 Cb -0.27 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.64 3k1q s ASP 892 CO 0.35 -2.79 1.16 0.68 0.52 0.00 0.00 175.17 175.09 3k1q s VAL 893 N 11.15 2.91 0.41 1.11 -7.23 -1.19 -5.02 120.40 122.55 3k1q s VAL 893 Ca 0.83 0.52 -0.02 0.00 -1.81 0.00 0.00 61.98 61.51 3k1q s VAL 893 Cb -0.14 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.63 3k1q s VAL 893 CO 0.20 -0.17 0.65 0.42 -0.31 0.00 0.00 175.10 175.89 3k1q s THR 894 N -1.87 4.87 0.00 5.32 -4.23 -1.26 -4.77 115.64 113.70 3k1q s THR 894 Ca 0.73 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 3k1q s THR 894 Cb -0.26 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.77 3k1q s THR 894 CO 0.34 -0.63 0.00 -1.20 -0.54 0.00 0.00 174.62 172.59 3k1q n SER 895 N -2.00 0.00 -0.25 3.99 7.64 -1.26 -0.80 113.62 120.94 3k1q n SER 895 Ca -0.02 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.90 3k1q n SER 895 Cb 0.56 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.93 3k1q n SER 895 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k1q h ALA 896 N 0.00 1.01 0.32 -0.43 0.00 -1.99 -1.97 119.26 116.19 3k1q h ALA 896 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3k1q h ALA 896 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3k1q h ALA 896 CO 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 179.25 178.91 3k1q h ALA 897 N 1.51 -0.42 -0.80 0.00 0.00 -1.35 -2.73 119.26 115.48 3k1q h ALA 897 Ca 0.39 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3k1q h ALA 897 Cb 0.56 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 3k1q h ALA 897 CO -0.37 -0.50 -0.46 0.00 0.00 0.00 0.00 179.25 177.92 3k1q n ALA 898 N -2.57 -0.48 -0.23 0.00 0.00 -0.20 -1.69 120.51 115.34 3k1q n ALA 898 Ca -0.09 0.68 -0.02 0.00 0.00 0.00 0.00 53.44 54.02 3k1q n ALA 898 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.59 3k1q n ALA 898 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n ALA 899 N -3.41 -0.14 -0.09 0.00 0.00 -0.74 -0.96 120.51 115.16 3k1q n ALA 899 Ca 0.02 0.55 -0.07 0.00 0.00 0.00 0.00 53.44 53.94 3k1q n ALA 899 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3k1q n ALA 899 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k1q h GLU 900 N 0.00 0.26 0.12 0.00 4.81 -1.02 0.19 114.58 118.94 3k1q h GLU 900 Ca 0.17 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3k1q h GLU 900 Cb 0.32 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3k1q h GLU 900 CO -0.56 0.17 -0.06 0.82 -0.73 0.00 0.00 179.01 178.65 3k1q h ILE 901 N 0.27 0.89 -0.66 2.32 2.04 -1.07 -2.26 117.51 119.04 3k1q h ILE 901 Ca 0.14 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 66.03 3k1q h ILE 901 Cb 0.09 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3k1q h ILE 901 CO -0.13 0.01 0.44 -0.03 0.00 0.00 0.00 178.15 178.44 3k1q h MET 902 N -0.17 0.67 -0.75 2.37 4.05 -0.44 -0.88 114.93 119.78 3k1q h MET 902 Ca -0.02 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3k1q h MET 902 Cb 0.13 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.74 3k1q h MET 902 CO 0.03 0.45 0.49 1.25 0.23 0.00 0.00 176.91 179.35 3k1q h HIS 903 N 0.69 0.92 -0.33 1.39 -0.00 -0.03 0.14 115.15 117.95 3k1q h HIS 903 Ca 0.28 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.72 3k1q h HIS 903 Cb 0.23 -0.31 -0.08 0.00 -0.00 0.00 0.00 27.41 27.26 3k1q h HIS 903 CO -0.00 0.56 -0.54 0.00 -0.00 0.00 0.00 177.93 177.94 3k1q h ALA 904 N 1.30 -0.79 -0.69 5.26 0.00 -1.28 -0.62 119.26 122.45 3k1q h ALA 904 Ca 0.29 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3k1q h ALA 904 Cb -0.06 1.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.70 3k1q h ALA 904 CO -0.08 -1.05 -0.51 0.28 0.00 0.00 0.00 179.25 177.88 3k1q h VAL 905 N -0.45 0.03 -0.55 0.00 2.07 -0.66 -0.46 116.25 116.23 3k1q h VAL 905 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 3k1q h VAL 905 Cb 0.62 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 3k1q h VAL 905 CO -0.55 0.00 -0.32 -3.20 0.02 0.00 0.00 177.57 173.52 3k1q n ASN 906 N -5.36 -0.58 -0.05 0.57 5.15 0.46 -1.66 115.26 113.78 3k1q n ASN 906 Ca 0.01 1.42 -0.09 0.00 -0.60 0.00 0.00 54.58 55.32 3k1q n ASN 906 Cb 0.33 -0.35 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 3k1q n ASN 906 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3k1q h ASP 907 N 0.00 -1.02 -0.76 1.20 3.45 -0.73 -0.83 116.42 117.73 3k1q h ASP 907 Ca 0.09 0.16 0.16 0.00 0.43 0.00 0.00 57.03 57.88 3k1q h ASP 907 Cb 0.23 0.46 -0.14 0.00 -0.56 0.00 0.00 39.33 39.31 3k1q h ASP 907 CO -0.52 -0.34 -0.11 0.00 -1.57 0.00 0.00 179.24 176.71 3k1q h ALA 908 N 0.58 0.63 -0.40 3.45 0.00 -0.91 -1.27 119.26 121.34 3k1q h ALA 908 Ca 0.13 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.34 3k1q h ALA 908 Cb 0.54 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3k1q h ALA 908 CO -0.43 -0.42 0.20 0.74 0.00 0.00 0.00 179.25 179.34 3k1q h PHE 909 N 0.04 0.37 -0.88 0.00 0.05 -0.26 -1.89 116.94 114.38 3k1q h PHE 909 Ca 0.39 0.02 0.09 0.00 3.82 0.00 0.00 57.97 62.28 3k1q h PHE 909 Cb 0.64 -0.11 -0.12 0.00 2.00 0.00 0.00 35.95 38.37 3k1q h PHE 909 CO -0.53 0.20 -0.56 0.87 -0.18 0.00 0.00 178.31 178.11 3k1q h LYS 910 N 0.41 -0.08 -0.37 1.51 1.57 -0.95 -2.27 116.57 116.39 3k1q h LYS 910 Ca 0.17 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3k1q h LYS 910 Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3k1q h LYS 910 CO -0.11 -0.05 -0.12 1.79 -0.57 0.00 0.00 179.45 180.38 3k1q h THR 911 N -0.08 1.28 -0.89 -0.16 1.35 -1.20 0.17 112.91 113.38 3k1q h THR 911 Ca 0.16 -1.22 0.19 0.00 -0.55 0.00 0.00 66.41 65.00 3k1q h THR 911 Cb 0.47 1.29 -0.07 0.00 -1.73 0.00 0.00 68.15 68.11 3k1q h THR 911 CO -0.87 0.40 0.59 0.00 -0.25 0.00 0.00 175.52 175.39 3k1q h ALA 912 N 0.82 2.16 -0.23 6.62 0.00 -1.15 -2.19 119.26 125.29 3k1q h ALA 912 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 912 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3k1q h ALA 912 CO 0.04 -0.44 -0.00 1.19 0.00 0.00 0.00 179.25 180.04 3k1q n PHE 913 N -4.52 0.81 -1.79 0.00 3.01 -0.86 -4.98 117.46 109.13 3k1q n PHE 913 Ca 0.19 -0.95 -0.15 0.00 1.01 0.00 0.00 57.45 57.55 3k1q n PHE 913 Cb 0.67 -0.30 -0.04 0.00 -0.01 0.00 0.00 39.48 39.79 3k1q n PHE 913 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3k1q n ASP 914 N -0.70 -4.15 -4.48 4.37 5.75 -0.82 -3.86 116.55 112.66 3k1q n ASP 914 Ca 0.21 0.28 -0.43 0.00 -0.01 0.00 0.00 54.79 54.85 3k1q n ASP 914 Cb 0.86 -3.69 -0.03 0.00 -1.03 0.00 0.00 41.12 37.24 3k1q n ASP 914 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3k1q s LEU 915 N -4.61 4.55 0.29 -2.12 1.43 0.53 -4.81 118.68 113.94 3k1q s LEU 915 Ca 0.00 -1.67 0.20 0.00 -1.03 0.00 0.00 54.13 51.63 3k1q s LEU 915 Cb 0.00 -2.44 0.12 0.00 0.03 0.00 0.00 46.19 43.90 3k1q s LEU 915 CO 0.00 -1.25 1.31 0.44 0.23 0.00 0.00 176.35 177.08 3k1q h ASP 916 N 9.21 0.00 -2.07 2.29 5.19 -1.92 -3.38 116.42 125.73 3k1q h ASP 916 Ca 0.07 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.95 3k1q h ASP 916 Cb 1.03 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 3k1q h ASP 916 CO 1.19 0.19 1.43 -0.83 -3.12 0.00 0.00 179.24 178.11 3k1q s GLY 917 N -4.39 0.24 0.19 2.75 0.00 -1.26 -4.84 107.32 100.01 3k1q s GLY 917 Ca 0.03 0.02 0.22 0.00 0.00 0.00 0.00 44.72 44.98 3k1q s GLY 917 CO 0.74 3.64 1.66 0.00 0.00 0.00 0.00 173.10 179.14 3k1q n ALA 918 N 12.77 1.72 -0.50 3.20 0.00 -1.26 -2.44 120.51 134.00 3k1q n ALA 918 Ca 0.27 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.73 3k1q n ALA 918 Cb 0.50 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 3k1q n ALA 918 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3k1q n LEU 919 N -2.05 4.38 -3.40 0.00 7.94 -1.26 -3.59 117.00 119.02 3k1q n LEU 919 Ca 0.03 -2.14 -0.10 0.00 -1.11 0.00 0.00 56.01 52.69 3k1q n LEU 919 Cb 0.23 -0.98 -0.09 0.00 0.53 0.00 0.00 43.42 43.11 3k1q n LEU 919 CO 0.19 0.94 -0.06 -0.76 -1.11 0.00 0.00 177.39 176.59 3k1q s LEU 920 N 0.00 -0.60 0.00 -1.96 1.43 -1.02 -4.99 118.68 111.54 3k1q s LEU 920 Ca 0.12 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3k1q s LEU 920 Cb 0.06 1.09 0.00 0.00 0.03 0.00 0.00 46.19 47.37 3k1q s LEU 920 CO 0.00 -0.29 0.00 0.47 0.23 0.00 0.00 176.35 176.76 3k1q n ASP 921 N 5.36 0.00 0.00 2.29 8.00 -1.26 -4.79 116.55 126.15 3k1q n ASP 921 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3k1q n ASP 921 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 3k1q n ASP 921 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1q n GLY 922 N 0.00 0.00 0.00 0.44 0.00 -1.24 -1.80 105.19 102.60 3k1q n GLY 922 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k1q n GLY 922 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1q n LEU 923 N -0.20 0.00 0.17 0.99 4.77 -1.26 -3.33 117.00 118.14 3k1q n LEU 923 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3k1q n LEU 923 Cb 0.00 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.60 3k1q n LEU 923 CO 0.00 0.00 0.90 0.00 -1.33 0.00 0.00 177.39 176.96 3k1q h ALA 924 N 1.16 1.00 -0.56 -1.18 0.00 -1.77 -3.06 119.26 114.84 3k1q h ALA 924 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3k1q h ALA 924 Cb 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.59 3k1q h ALA 924 CO 0.00 0.00 0.01 1.47 0.00 0.00 0.00 179.25 180.73 3k1q n LEU 925 N -2.54 4.98 -3.99 0.00 -0.00 -1.21 -4.78 117.00 109.45 3k1q n LEU 925 Ca 0.02 -3.98 -0.41 0.00 -0.00 0.00 0.00 56.01 51.65 3k1q n LEU 925 Cb 0.30 -0.66 -0.01 0.00 -0.00 0.00 0.00 43.42 43.05 3k1q n LEU 925 CO 0.24 1.40 0.86 -1.22 -0.00 0.00 0.00 177.39 178.68 3k1q n TYR 926 N -1.05 3.14 0.00 1.47 4.01 -1.16 -4.76 117.16 118.81 3k1q n TYR 926 Ca 0.42 -3.16 0.00 0.00 -0.16 0.00 0.00 57.90 54.99 3k1q n TYR 926 Cb 1.06 -1.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 3k1q n TYR 926 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1q n GLY 927 N 1.57 2.76 0.77 2.72 0.00 -1.26 -4.98 105.19 106.77 3k1q n GLY 927 Ca 0.26 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3k1q n GLY 927 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k1q n ASP 928 N 0.00 0.00 -1.49 1.61 -0.08 -1.26 -4.72 116.55 110.61 3k1q n ASP 928 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 3k1q n ASP 928 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3k1q n ASP 928 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3k1q n PRO 929 N 0.06 1.08 -1.94 -0.67 -0.04 -1.26 -4.40 135.00 127.83 3k1q n PRO 929 Ca 0.00 -0.16 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 3k1q n PRO 929 Cb 0.00 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3k1q n PRO 929 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3k1q n ARG 930 N 1.29 3.38 -1.75 0.54 1.74 -1.26 -4.85 116.66 115.74 3k1q n ARG 930 Ca 0.03 -3.38 -0.42 0.00 -0.77 0.00 0.00 57.85 53.30 3k1q n ARG 930 Cb 0.51 -2.32 -0.03 0.00 -1.02 0.00 0.00 32.46 29.61 3k1q n ARG 930 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3k1q s ILE 931 N -3.63 3.17 0.00 0.55 -4.36 -1.26 -4.71 121.20 110.97 3k1q s ILE 931 Ca 0.52 0.20 0.00 0.00 -0.26 0.00 0.00 60.65 61.11 3k1q s ILE 931 Cb 0.35 -3.15 0.00 0.00 1.25 0.00 0.00 42.46 40.90 3k1q s ILE 931 CO -0.27 -0.05 0.00 0.00 0.24 0.00 0.00 174.94 174.86 3k1q n ALA 932 N 8.59 2.79 -3.29 2.27 0.00 -1.03 -4.74 120.51 125.10 3k1q n ALA 932 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.41 3k1q n ALA 932 Cb 0.43 0.42 -0.08 0.00 0.00 0.00 0.00 19.45 20.21 3k1q n ALA 932 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3k1q n ASP 933 N -2.80 -0.30 -4.62 0.00 4.64 -0.23 -5.00 116.55 108.24 3k1q n ASP 933 Ca 0.00 -2.53 -0.43 0.00 -1.38 0.00 0.00 54.79 50.46 3k1q n ASP 933 Cb 0.42 -0.52 -0.03 0.00 -1.04 0.00 0.00 41.12 39.96 3k1q n ASP 933 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3k1q s LEU 934 N -0.46 3.80 0.06 -2.67 2.96 -1.24 -4.22 118.68 116.90 3k1q s LEU 934 Ca 0.34 1.69 -0.10 0.00 -0.22 0.00 0.00 54.13 55.84 3k1q s LEU 934 Cb 0.10 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.27 3k1q s LEU 934 CO -0.16 -1.43 0.22 -0.44 -1.32 0.00 0.00 176.35 173.22 3k1q s SER 935 N 5.18 0.02 0.16 3.68 0.01 -1.11 -4.46 113.70 117.18 3k1q s SER 935 Ca 0.79 -0.41 0.10 0.00 1.31 0.00 0.00 55.95 57.74 3k1q s SER 935 Cb -0.27 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 3k1q s SER 935 CO 0.32 -0.62 -0.19 0.00 0.41 0.00 0.00 173.24 173.16 3k1q s ALA 936 N -2.93 2.66 0.15 1.44 0.00 -1.05 -2.83 121.76 119.20 3k1q s ALA 936 Ca -0.02 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.45 3k1q s ALA 936 Cb 0.01 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3k1q s ALA 936 CO -0.06 0.50 0.02 0.00 0.00 0.00 0.00 175.76 176.22 3k1q s ALA 937 N -1.44 1.10 0.00 0.00 0.00 0.26 -1.08 121.76 120.61 3k1q s ALA 937 Ca 0.20 -1.52 0.08 0.00 0.00 0.00 0.00 51.96 50.73 3k1q s ALA 937 Cb -0.09 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 3k1q s ALA 937 CO 0.11 -0.38 -0.25 1.52 0.00 0.00 0.00 175.76 176.75 3k1q s TYR 938 N -3.82 2.35 -0.14 0.00 -0.85 -0.48 -1.67 117.35 112.75 3k1q s TYR 938 Ca 0.23 -0.41 0.02 0.00 -0.52 0.00 0.00 57.07 56.38 3k1q s TYR 938 Cb 0.07 -1.46 0.00 0.00 0.38 0.00 0.00 41.96 40.94 3k1q s TYR 938 CO 0.02 0.04 -0.19 -1.17 -1.52 0.00 0.00 175.55 172.73 3k1q s LEU 939 N -0.87 2.30 -0.10 -3.49 2.96 0.16 -0.45 118.68 119.18 3k1q s LEU 939 Ca 0.11 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3k1q s LEU 939 Cb -0.10 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 3k1q s LEU 939 CO 0.00 0.10 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.54 3k1q s GLN 940 N 0.71 3.09 0.45 1.98 0.74 0.21 -1.06 119.66 125.77 3k1q s GLN 940 Ca -0.08 -0.44 0.12 0.00 0.05 0.00 0.00 55.36 55.01 3k1q s GLN 940 Cb -0.16 -2.80 1.00 0.00 1.10 0.00 0.00 33.01 32.15 3k1q s GLN 940 CO 0.01 0.62 2.05 -0.92 -0.55 0.00 0.00 175.29 176.50 3k1q h TYR 941 N 5.44 0.20 0.00 1.67 3.20 -1.67 -1.53 116.97 124.28 3k1q h TYR 941 Ca -0.47 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 3k1q h TYR 941 Cb 1.19 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3k1q h TYR 941 CO 0.61 0.20 0.00 0.41 -1.64 0.00 0.00 178.16 177.74 3k1q n GLY 942 N -1.28 1.11 2.10 1.82 0.00 0.47 -4.78 105.19 104.62 3k1q n GLY 942 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3k1q n GLY 942 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLY 943 N 1.15 0.71 3.24 -0.02 0.00 -0.77 -4.98 105.19 104.52 3k1q n GLY 943 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3k1q n GLY 943 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k1q s ASN 944 N -2.39 2.06 -0.04 1.61 0.01 -0.65 -4.99 114.94 110.56 3k1q s ASN 944 Ca 0.00 -0.78 0.02 0.00 -0.71 0.00 0.00 52.86 51.39 3k1q s ASN 944 Cb 0.00 -0.08 0.01 0.00 0.41 0.00 0.00 41.25 41.59 3k1q s ASN 944 CO 0.00 -0.11 -0.10 0.54 -1.51 0.00 0.00 177.10 175.92 3k1q s VAL 945 N -1.96 0.88 -0.44 1.60 0.11 -1.26 0.64 120.40 119.98 3k1q s VAL 945 Ca 0.08 -0.38 -0.06 0.00 -2.93 0.00 0.00 61.98 58.68 3k1q s VAL 945 Cb -0.06 -0.80 0.11 0.00 -1.53 0.00 0.00 36.38 34.10 3k1q s VAL 945 CO 0.03 0.28 0.27 0.68 -3.33 0.00 0.00 175.10 173.04 3k1q s VAL 946 N 0.39 3.82 -0.26 2.04 -7.23 0.40 -5.02 120.40 114.53 3k1q s VAL 946 Ca -0.07 -1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 3k1q s VAL 946 Cb -0.11 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 3k1q s VAL 946 CO 0.01 -0.70 0.14 -0.60 -0.31 0.00 0.00 175.10 173.64 3k1q s ARG 947 N 1.28 3.86 -0.46 4.82 3.52 -1.26 -1.38 118.95 129.33 3k1q s ARG 947 Ca 0.06 -0.37 -0.18 0.00 -0.13 0.00 0.00 55.73 55.11 3k1q s ARG 947 Cb -0.24 -3.51 0.04 0.00 -1.56 0.00 0.00 34.95 29.68 3k1q s ARG 947 CO -0.02 -0.13 0.52 -1.21 -0.81 0.00 0.00 175.30 173.65 3k1q s GLU 948 N 1.56 3.11 -0.48 5.12 0.41 -0.24 -5.00 118.70 123.19 3k1q s GLU 948 Ca 0.07 -0.84 -0.17 0.00 -0.41 0.00 0.00 54.97 53.62 3k1q s GLU 948 Cb -0.15 -4.03 0.06 0.00 -1.78 0.00 0.00 34.13 28.23 3k1q s GLU 948 CO 0.07 -1.02 0.47 -1.01 -0.49 0.00 0.00 175.26 173.29 3k1q s HIS 949 N 2.32 3.17 -0.40 1.61 3.76 -1.26 -2.53 115.29 121.96 3k1q s HIS 949 Ca 0.13 -0.73 -0.13 0.00 -0.15 0.00 0.00 55.06 54.19 3k1q s HIS 949 Cb -0.18 -3.24 0.03 0.00 1.11 0.00 0.00 32.58 30.29 3k1q s HIS 949 CO 0.13 -0.86 0.26 0.08 -0.85 0.00 0.00 174.74 173.50 3k1q s VAL 950 N 2.03 4.91 0.35 -0.90 1.01 -1.26 -5.07 120.40 121.48 3k1q s VAL 950 Ca 0.09 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 3k1q s VAL 950 Cb -0.22 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 3k1q s VAL 950 CO 0.09 -0.30 0.87 -2.16 0.00 0.00 0.00 175.10 173.60 3k1q s PRO 951 N 1.61 4.27 0.12 2.72 0.04 -1.26 -4.93 135.00 137.57 3k1q s PRO 951 Ca 0.03 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.01 3k1q s PRO 951 Cb -0.19 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 3k1q s PRO 951 CO 0.08 0.14 0.45 -1.25 0.04 0.00 0.00 177.00 176.47 3k1q s PRO 952 N -2.70 3.80 0.00 0.56 0.04 -1.26 -4.76 135.00 130.68 3k1q s PRO 952 Ca 0.55 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.82 3k1q s PRO 952 Cb -0.13 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3k1q s PRO 952 CO 0.18 0.50 0.00 0.41 0.04 0.00 0.00 177.00 178.12 3k1q n GLY 953 N 0.65 0.10 3.76 0.56 0.00 -1.26 -5.00 105.19 104.01 3k1q n GLY 953 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3k1q n GLY 953 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1q s PRO 954 N 0.74 4.12 -0.41 1.61 0.04 -1.26 -4.98 135.00 134.85 3k1q s PRO 954 Ca 0.00 2.57 0.04 0.00 0.04 0.00 0.00 61.00 63.65 3k1q s PRO 954 Cb 0.00 -3.00 0.17 0.00 0.04 0.00 0.00 34.50 31.71 3k1q s PRO 954 CO 0.00 -0.58 0.34 -1.54 0.04 0.00 0.00 177.00 175.25 3k1q s SER 955 N 0.20 1.51 0.10 6.66 1.04 -1.26 -4.99 113.70 116.95 3k1q s SER 955 Ca 0.58 -3.04 -0.18 0.00 0.48 0.00 0.00 55.95 53.79 3k1q s SER 955 Cb -0.47 -0.45 -0.06 0.00 0.10 0.00 0.00 66.02 65.14 3k1q s SER 955 CO 0.55 -0.17 1.60 0.45 0.98 0.00 0.00 173.24 176.65 3k1q h HIS 956 N 5.68 0.47 -0.16 5.02 3.86 -1.95 -0.84 115.15 127.23 3k1q h HIS 956 Ca 0.26 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.46 3k1q h HIS 956 Cb 0.91 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 29.19 3k1q h HIS 956 CO 0.27 0.52 -0.21 0.82 0.86 0.00 0.00 177.93 180.19 3k1q h ILE 957 N 0.29 0.47 -0.48 2.45 1.08 -1.95 -1.18 117.51 118.20 3k1q h ILE 957 Ca 0.09 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.65 3k1q h ILE 957 Cb 0.28 0.47 -0.08 0.00 -3.07 0.00 0.00 36.82 34.42 3k1q h ILE 957 CO 0.00 0.00 0.00 -0.74 -0.69 0.00 0.00 178.15 176.72 3k1q h HIS 958 N -0.25 -0.03 -0.93 1.37 2.76 -1.82 0.71 115.15 116.96 3k1q h HIS 958 Ca 0.11 0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 3k1q h HIS 958 Cb 0.41 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.40 3k1q h HIS 958 CO -0.33 -0.11 0.60 0.00 -1.30 0.00 0.00 177.93 176.80 3k1q h ARG 959 N 0.12 1.11 -0.38 5.26 3.08 -0.34 -0.32 114.38 122.90 3k1q h ARG 959 Ca 0.24 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.10 3k1q h ARG 959 Cb 0.36 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3k1q h ARG 959 CO -0.40 0.73 -0.28 0.00 -1.07 0.00 0.00 179.97 178.96 3k1q h ALA 960 N 1.40 0.80 0.24 0.04 0.00 -0.93 -0.97 119.26 119.84 3k1q h ALA 960 Ca 0.38 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3k1q h ALA 960 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k1q h ALA 960 CO -0.14 0.65 -0.12 1.25 0.00 0.00 0.00 179.25 180.89 3k1q h LEU 961 N 0.68 -0.28 -0.97 0.00 5.85 0.50 0.01 115.31 121.10 3k1q h LEU 961 Ca 0.08 -0.09 0.20 0.00 0.84 0.00 0.00 57.88 58.91 3k1q h LEU 961 Cb 0.81 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.80 3k1q h LEU 961 CO 0.07 -0.08 0.57 1.56 -0.34 0.00 0.00 178.44 180.21 3k1q h GLN 962 N -0.47 0.65 -0.22 1.25 7.50 -1.04 -0.51 115.11 122.28 3k1q h GLN 962 Ca -0.03 -0.04 -0.20 0.00 0.50 0.00 0.00 58.65 58.87 3k1q h GLN 962 Cb 0.35 -0.15 0.01 0.00 0.05 0.00 0.00 27.48 27.74 3k1q h GLN 962 CO 0.05 0.43 -0.67 0.37 -1.50 0.00 0.00 178.83 177.52 3k1q h GLN 963 N 0.67 0.82 -0.94 1.46 -0.00 -0.30 -0.55 115.11 116.27 3k1q h GLN 963 Ca 0.58 -0.59 0.18 0.00 -0.00 0.00 0.00 58.65 58.81 3k1q h GLN 963 Cb 0.95 0.10 -0.08 0.00 0.00 0.00 0.00 27.48 28.45 3k1q h GLN 963 CO -0.41 1.21 0.60 0.28 0.00 0.00 0.00 178.83 180.51 3k1q h VAL 964 N 0.60 0.74 -0.08 2.39 2.07 -0.40 -1.07 116.25 120.50 3k1q h VAL 964 Ca -0.02 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3k1q h VAL 964 Cb 1.28 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3k1q h VAL 964 CO 0.14 0.12 -0.01 -0.08 0.02 0.00 0.00 177.57 177.76 3k1q h GLU 965 N 0.64 0.15 -0.78 1.57 4.81 -0.23 0.98 114.58 121.72 3k1q h GLU 965 Ca 0.50 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.80 3k1q h GLU 965 Cb 0.93 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.21 3k1q h GLU 965 CO -0.26 0.45 0.38 0.66 -0.73 0.00 0.00 179.01 179.51 3k1q h SER 966 N -0.16 0.46 -0.20 1.04 4.64 0.08 -0.23 113.55 119.18 3k1q h SER 966 Ca 0.02 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3k1q h SER 966 Cb 0.39 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3k1q h SER 966 CO 0.01 0.22 -0.01 0.74 -0.87 0.00 0.00 176.83 176.92 3k1q h THR 967 N 0.59 1.26 -0.76 2.95 2.02 -1.01 -2.04 112.91 115.92 3k1q h THR 967 Ca 0.41 -0.90 0.15 0.00 0.77 0.00 0.00 66.41 66.84 3k1q h THR 967 Cb 0.53 1.45 -0.14 0.00 -1.74 0.00 0.00 68.15 68.25 3k1q h THR 967 CO -0.33 0.28 -0.19 0.15 0.37 0.00 0.00 175.52 175.80 3k1q h PHE 968 N 0.12 -0.40 -1.58 3.16 3.57 -0.54 -0.23 116.94 121.03 3k1q h PHE 968 Ca 0.06 0.07 0.49 0.00 3.53 0.00 0.00 57.97 62.12 3k1q h PHE 968 Cb 0.41 0.29 -0.11 0.00 2.79 0.00 0.00 35.95 39.34 3k1q h PHE 968 CO 0.04 -0.33 1.08 1.98 -2.23 0.00 0.00 178.31 178.85 3k1q h MET 969 N 0.00 0.03 0.00 1.11 4.05 -0.27 -0.87 114.93 118.98 3k1q h MET 969 Ca 0.36 -0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.42 3k1q h MET 969 Cb 0.55 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.28 3k1q h MET 969 CO -0.78 0.02 -2.38 0.00 0.23 0.00 0.00 176.91 174.00 3k1q n ALA 970 N -2.69 1.50 -1.51 0.39 0.00 -0.53 -4.62 120.51 113.05 3k1q n ALA 970 Ca 0.40 -1.32 -0.24 0.00 0.00 0.00 0.00 53.44 52.29 3k1q n ALA 970 Cb 1.68 -0.17 0.11 0.00 0.00 0.00 0.00 19.45 21.07 3k1q n ALA 970 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k1q n GLU 971 N -2.76 2.65 -0.17 0.00 1.02 -0.21 -4.77 120.64 116.40 3k1q n GLU 971 Ca -0.33 -3.44 0.10 0.00 -0.02 0.00 0.00 57.16 53.47 3k1q n GLU 971 Cb 1.15 -2.17 0.41 0.00 -0.02 0.00 0.00 31.44 30.81 3k1q n GLU 971 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3k1q h MET 972 N 1.67 0.61 -0.09 3.49 2.86 -1.48 -1.98 114.93 120.00 3k1q h MET 972 Ca 0.47 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 58.10 3k1q h MET 972 Cb 1.49 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 33.01 3k1q h MET 972 CO 1.06 0.40 0.07 -0.91 1.06 0.00 0.00 176.91 178.58 3k1q h ASN 973 N 0.62 0.00 -0.72 1.22 -0.26 -1.58 -1.62 115.58 113.25 3k1q h ASN 973 Ca 0.33 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 56.09 3k1q h ASN 973 Cb 0.47 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.70 3k1q h ASN 973 CO -0.12 0.00 0.48 -0.07 -1.06 0.00 0.00 177.43 176.66 3k1q h LEU 974 N 0.00 0.79 -3.70 1.61 4.07 -1.63 -1.10 115.31 115.35 3k1q h LEU 974 Ca 0.04 -0.02 -0.49 0.00 0.08 0.00 0.00 57.88 57.50 3k1q h LEU 974 Cb 0.18 -0.19 -0.23 0.00 1.08 0.00 0.00 40.66 41.50 3k1q h LEU 974 CO -0.00 0.56 0.63 0.49 -1.08 0.00 0.00 178.44 179.04 3k1q n PHE 975 N -4.44 2.45 -3.07 1.13 3.01 -0.66 -3.87 117.46 112.02 3k1q n PHE 975 Ca 0.08 -2.29 -0.14 0.00 1.01 0.00 0.00 57.45 56.12 3k1q n PHE 975 Cb 0.08 -1.12 -0.02 0.00 -0.01 0.00 0.00 39.48 38.41 3k1q n PHE 975 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3k1q n ASN 976 N -0.46 -1.70 -4.12 4.37 2.85 -0.42 -4.94 115.26 110.84 3k1q n ASN 976 Ca 0.48 -0.03 -0.35 0.00 -0.11 0.00 0.00 54.58 54.56 3k1q n ASN 976 Cb 0.83 -1.53 -0.12 0.00 1.24 0.00 0.00 39.78 40.19 3k1q n ASN 976 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3k1q s VAL 977 N -2.44 3.12 -0.12 3.44 1.01 -0.92 -3.60 120.40 120.89 3k1q s VAL 977 Ca 0.24 -1.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.20 3k1q s VAL 977 Cb -0.14 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3k1q s VAL 977 CO 0.30 -0.57 0.11 0.00 0.00 0.00 0.00 175.10 174.94 3k1q s ALA 978 N 1.14 3.75 -0.10 5.51 0.00 -0.38 -1.53 121.76 130.16 3k1q s ALA 978 Ca 0.06 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3k1q s ALA 978 Cb -0.22 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 3k1q s ALA 978 CO -0.04 0.56 -0.13 -0.98 0.00 0.00 0.00 175.76 175.17 3k1q s ARG 979 N -0.84 3.07 0.00 0.00 3.03 -1.26 -0.68 118.95 122.27 3k1q s ARG 979 Ca 0.14 -0.68 0.00 0.00 2.03 0.00 0.00 55.73 57.22 3k1q s ARG 979 Cb -0.12 -2.55 0.00 0.00 -1.03 0.00 0.00 34.95 31.25 3k1q s ARG 979 CO 0.03 0.38 0.00 0.41 -1.13 0.00 0.00 175.30 174.99 3k1q n GLY 980 N 3.05 0.72 3.29 3.88 0.00 -0.56 -4.74 105.19 110.83 3k1q n GLY 980 Ca -0.18 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 3k1q n GLY 980 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k1q s ASN 981 N -4.00 0.71 0.16 1.61 0.01 -1.26 -1.73 114.94 110.44 3k1q s ASN 981 Ca 0.00 -1.48 0.08 0.00 -0.71 0.00 0.00 52.86 50.75 3k1q s ASN 981 Cb 0.00 0.49 -0.04 0.00 0.41 0.00 0.00 41.25 42.10 3k1q s ASN 981 CO 0.00 -0.99 -0.08 -0.76 -1.51 0.00 0.00 177.10 173.77 3k1q s LEU 982 N -3.23 3.06 -0.04 0.60 1.43 -1.11 -0.33 118.68 119.07 3k1q s LEU 982 Ca 0.37 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3k1q s LEU 982 Cb 0.04 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3k1q s LEU 982 CO 0.18 0.12 -0.24 -0.31 0.23 0.00 0.00 176.35 176.33 3k1q s TYR 983 N -1.58 2.43 -0.47 0.29 2.02 -0.36 -0.37 117.35 119.30 3k1q s TYR 983 Ca 0.24 -0.50 -0.07 0.00 -0.37 0.00 0.00 57.07 56.37 3k1q s TYR 983 Cb -0.09 -1.56 0.12 0.00 -0.40 0.00 0.00 41.96 40.03 3k1q s TYR 983 CO 0.16 -0.07 0.32 -0.51 -1.57 0.00 0.00 175.55 173.87 3k1q s LEU 984 N -0.45 5.57 -0.04 -1.29 1.43 -0.43 -1.68 118.68 121.79 3k1q s LEU 984 Ca 0.05 -2.03 -0.01 0.00 -1.03 0.00 0.00 54.13 51.11 3k1q s LEU 984 Cb -0.12 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.18 3k1q s LEU 984 CO 0.01 -0.63 0.03 0.54 0.23 0.00 0.00 176.35 176.53 3k1q s VAL 985 N 1.17 0.08 -0.63 -1.59 0.11 0.60 -3.29 120.40 116.85 3k1q s VAL 985 Ca 0.08 0.23 -0.27 0.00 -2.93 0.00 0.00 61.98 59.09 3k1q s VAL 985 Cb -0.24 -0.25 -0.11 0.00 -1.53 0.00 0.00 36.38 34.24 3k1q s VAL 985 CO -0.02 0.17 2.49 1.67 -3.33 0.00 0.00 175.10 176.08 3k1q n GLN 986 N 4.73 0.75 -3.79 1.54 -0.06 -1.26 -4.05 117.38 115.25 3k1q n GLN 986 Ca -0.15 -0.03 -0.30 0.00 -2.00 0.00 0.00 57.00 54.52 3k1q n GLN 986 Cb 0.50 -2.95 -0.15 0.00 -4.06 0.00 0.00 30.24 23.58 3k1q n GLN 986 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 3k1q s THR 987 N 11.42 1.01 -0.08 1.69 -4.23 -0.94 -5.07 115.64 119.45 3k1q s THR 987 Ca 1.08 -1.27 0.03 0.00 -1.18 0.00 0.00 61.69 60.35 3k1q s THR 987 Cb -0.45 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 71.77 3k1q s THR 987 CO 0.32 -0.48 -0.16 0.00 -0.54 0.00 0.00 174.62 173.75 3k1q s ALA 988 N 1.58 1.60 -0.26 3.99 0.00 -1.26 -0.14 121.76 127.27 3k1q s ALA 988 Ca 0.05 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 3k1q s ALA 988 Cb -0.18 -0.69 0.16 0.00 0.00 0.00 0.00 23.12 22.41 3k1q s ALA 988 CO -0.17 0.12 1.23 -0.08 0.00 0.00 0.00 175.76 176.86 3k1q s THR 989 N 0.65 0.00 0.41 0.00 -1.32 0.60 -4.97 115.64 111.01 3k1q s THR 989 Ca -0.14 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.42 3k1q s THR 989 Cb -0.16 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.06 3k1q s THR 989 CO 0.04 0.00 2.03 0.78 -2.21 0.00 0.00 174.62 175.26 3k1q h ASN 990 N 3.05 0.37 -4.01 8.08 4.21 -1.81 0.95 115.58 126.41 3k1q h ASN 990 Ca -0.21 -0.03 -0.63 0.00 1.21 0.00 0.00 56.30 56.64 3k1q h ASN 990 Cb 1.18 -0.09 -0.41 0.00 -1.12 0.00 0.00 38.32 37.88 3k1q h ASN 990 CO 0.20 0.33 -0.66 -0.83 -1.29 0.00 0.00 177.43 175.17 3k1q s GLY 991 N -3.82 2.23 0.00 2.83 0.00 -1.26 -4.41 107.32 102.89 3k1q s GLY 991 Ca -0.07 -3.09 0.03 0.00 0.00 0.00 0.00 44.72 41.59 3k1q s GLY 991 CO 0.73 1.19 -0.10 0.21 0.00 0.00 0.00 173.10 175.13 3k1q s ASN 992 N -0.16 1.13 0.00 1.64 3.84 -1.26 -5.15 114.94 114.98 3k1q s ASN 992 Ca 0.18 -0.24 0.00 0.00 0.21 0.00 0.00 52.86 53.00 3k1q s ASN 992 Cb -0.24 -0.10 0.00 0.00 -0.55 0.00 0.00 41.25 40.36 3k1q s ASN 992 CO -0.01 0.07 0.00 0.79 -2.79 0.00 0.00 177.10 175.16 3k1q n TRP 993 N 2.58 0.00 -4.25 0.43 7.02 -1.26 -4.93 117.44 117.03 3k1q n TRP 993 Ca -0.15 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.15 3k1q n TRP 993 Cb 0.56 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.34 3k1q n TRP 993 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3k1q s SER 994 N -1.95 2.08 0.38 -0.99 0.15 -1.26 -4.56 113.70 107.54 3k1q s SER 994 Ca 0.00 -0.81 0.18 0.00 0.70 0.00 0.00 55.95 56.02 3k1q s SER 994 Cb 0.00 -0.08 1.00 0.00 -1.71 0.00 0.00 66.02 65.23 3k1q s SER 994 CO 0.00 -0.13 1.50 1.55 1.20 0.00 0.00 173.24 177.36 3k1q h PRO 995 N 3.50 0.00 -0.00 5.44 0.13 -1.81 -0.56 132.00 138.70 3k1q h PRO 995 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3k1q h PRO 995 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3k1q h PRO 995 CO 0.50 0.00 -0.39 -1.33 -0.23 0.00 0.00 178.00 176.55 3k1q n MET 996 N -2.24 0.39 -3.82 0.86 2.81 -1.26 -0.59 117.12 113.27 3k1q n MET 996 Ca -0.01 -0.23 -0.28 0.00 -1.81 0.00 0.00 57.70 55.37 3k1q n MET 996 Cb 0.25 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.15 3k1q n MET 996 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3k1q n ALA 997 N -1.11 3.45 -1.77 3.04 0.00 -0.22 -3.95 120.51 119.96 3k1q n ALA 997 Ca 0.09 -4.47 -0.39 0.00 0.00 0.00 0.00 53.44 48.67 3k1q n ALA 997 Cb 0.34 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3k1q n ALA 997 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3k1q s PRO 998 N -1.48 4.18 -0.31 0.00 0.04 -1.26 -4.42 135.00 131.74 3k1q s PRO 998 Ca 0.27 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.29 3k1q s PRO 998 Cb -0.02 -2.84 0.09 0.00 0.04 0.00 0.00 34.50 31.78 3k1q s PRO 998 CO -0.16 -0.25 0.04 0.08 0.04 0.00 0.00 177.00 176.76 3k1q s VAL 999 N -1.30 1.76 0.00 -0.36 1.01 -1.26 -4.96 120.40 115.30 3k1q s VAL 999 Ca 0.54 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.62 3k1q s VAL 999 Cb -0.34 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3k1q s VAL 999 CO 0.44 -0.54 0.00 0.00 0.00 0.00 0.00 175.10 175.00 3k1q n ALA 1000N 4.49 0.00 -0.13 5.51 0.00 -1.26 -4.34 120.51 124.78 3k1q n ALA 1000Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3k1q n ALA 1000Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.88 3k1q n ALA 1000CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q h ALA 1001N 0.00 0.67 -1.01 0.00 0.00 -2.01 -3.29 119.26 113.62 3k1q h ALA 1001Ca 0.00 -0.42 0.25 0.00 0.00 0.00 0.00 54.91 54.74 3k1q h ALA 1001Cb 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.52 3k1q h ALA 1001CO 0.00 0.67 0.60 -1.00 0.00 0.00 0.00 179.25 179.52 3k1q h PRO 1002N 0.78 0.55 -7.06 0.00 0.13 -1.94 -3.40 132.00 121.05 3k1q h PRO 1002Ca 0.08 -0.03 -0.52 0.00 -0.87 0.00 0.00 66.00 64.66 3k1q h PRO 1002Cb 0.88 -0.12 0.10 0.00 0.13 0.00 0.00 31.00 31.98 3k1q h PRO 1002CO 0.08 0.36 0.49 -2.14 -0.23 0.00 0.00 178.00 176.56 3k1q s PRO 1003N -5.76 3.27 0.30 1.56 0.02 -1.24 -4.90 135.00 128.25 3k1q s PRO 1003Ca -0.11 1.83 0.02 0.00 0.02 0.00 0.00 61.00 62.77 3k1q s PRO 1003Cb 0.27 -2.11 -0.02 0.00 0.02 0.00 0.00 34.50 32.66 3k1q s PRO 1003CO 0.80 -0.97 0.31 -0.59 -0.33 0.00 0.00 177.00 176.21 3k1q s PHE 1004N -1.57 1.40 0.04 6.54 -0.12 -1.26 -5.09 117.98 117.92 3k1q s PHE 1004Ca 0.72 -1.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.16 3k1q s PHE 1004Cb -0.30 -0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 41.59 3k1q s PHE 1004CO 0.34 -0.90 -0.10 0.14 -0.05 0.00 0.00 175.22 174.65 3k1q s VAL 1005N -3.51 0.79 0.24 -2.49 -7.23 -1.26 -5.07 120.40 101.87 3k1q s VAL 1005Ca 0.37 -0.93 -0.14 0.00 -1.81 0.00 0.00 61.98 59.47 3k1q s VAL 1005Cb 0.02 -0.76 0.30 0.00 0.56 0.00 0.00 36.38 36.50 3k1q s VAL 1005CO 0.22 -0.14 1.58 0.03 -0.31 0.00 0.00 175.10 176.48 3k1q h ARG 1006N 4.89 -0.03 -2.78 4.82 -0.00 -1.98 -3.25 114.38 116.05 3k1q h ARG 1006Ca -0.36 0.00 -0.77 0.00 -0.50 0.00 0.00 59.98 58.35 3k1q h ARG 1006Cb 1.19 0.01 -0.30 0.00 0.00 0.00 0.00 29.97 30.86 3k1q h ARG 1006CO 0.43 -0.02 0.55 0.41 0.00 0.00 0.00 179.97 181.35 3k1q n GLY 1007N -1.51 5.14 3.16 0.04 0.00 -1.26 -4.67 105.19 106.09 3k1q n GLY 1007Ca 0.10 -2.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.11 3k1q n GLY 1007CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k1q s GLY 1008N -1.93 1.37 0.06 -0.02 0.00 -1.23 -5.11 107.32 100.45 3k1q s GLY 1008Ca 0.33 -1.12 -0.37 0.00 0.00 0.00 0.00 44.72 43.56 3k1q s GLY 1008CO 0.09 0.03 0.96 -1.05 0.00 0.00 0.00 173.10 173.13 3k1q n PRO 1009N 4.17 0.11 0.00 2.90 -0.02 -1.26 -1.74 135.00 139.16 3k1q n PRO 1009Ca -0.20 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3k1q n PRO 1009Cb 0.51 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 3k1q n PRO 1009CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k1q n ASN 1010N 1.68 0.00 -4.78 2.55 4.13 -1.26 -4.95 115.26 112.64 3k1q n ASN 1010Ca 0.19 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 56.06 3k1q n ASN 1010Cb 0.13 -0.22 -0.06 0.00 -1.54 0.00 0.00 39.78 38.09 3k1q n ASN 1010CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3k1q s VAL 1011N -0.40 4.30 -0.08 2.41 -7.23 -0.71 -4.94 120.40 113.75 3k1q s VAL 1011Ca 0.00 1.76 0.04 0.00 -1.81 0.00 0.00 61.98 61.97 3k1q s VAL 1011Cb 0.00 -4.13 0.00 0.00 0.56 0.00 0.00 36.38 32.81 3k1q s VAL 1011CO 0.00 0.42 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.88 3k1q s ARG 1012N -1.39 2.52 -0.32 4.82 0.52 -1.26 -4.61 118.95 119.23 3k1q s ARG 1012Ca 0.40 -0.75 -0.03 0.00 -0.52 0.00 0.00 55.73 54.83 3k1q s ARG 1012Cb -0.22 -1.99 0.05 0.00 0.52 0.00 0.00 34.95 33.31 3k1q s ARG 1012CO 0.27 0.19 0.04 0.08 0.02 0.00 0.00 175.30 175.89 3k1q s VAL 1013N 0.29 3.19 0.06 3.52 1.01 -1.24 -1.22 120.40 126.02 3k1q s VAL 1013Ca -0.14 -1.39 0.09 0.00 0.00 0.00 0.00 61.98 60.54 3k1q s VAL 1013Cb -0.16 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3k1q s VAL 1013CO 0.06 -0.17 -0.24 0.68 0.00 0.00 0.00 175.10 175.43 3k1q s VAL 1014N 1.28 1.92 -0.13 2.92 -7.23 -1.25 -4.87 120.40 113.04 3k1q s VAL 1014Ca -0.03 -1.38 -0.04 0.00 -1.81 0.00 0.00 61.98 58.72 3k1q s VAL 1014Cb -0.20 -1.67 0.05 0.00 0.56 0.00 0.00 36.38 35.12 3k1q s VAL 1014CO -0.00 0.22 0.07 -0.83 -0.31 0.00 0.00 175.10 174.25 3k1q s GLY 1015N -1.39 0.34 0.00 2.32 0.00 -1.25 -1.15 107.32 106.19 3k1q s GLY 1015Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.64 3k1q s GLY 1015CO 0.03 1.59 0.00 0.54 0.00 0.00 0.00 173.10 175.26 3k1q n ARG 1016N 5.27 0.00 -4.78 2.90 1.74 -1.26 -4.47 116.66 116.06 3k1q n ARG 1016Ca -0.06 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.77 3k1q n ARG 1016Cb 0.49 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.77 3k1q n ARG 1016CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3k1q s PHE 1017N -0.00 1.59 0.00 -1.55 0.40 -1.26 -4.60 117.98 112.56 3k1q s PHE 1017Ca 0.00 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 3k1q s PHE 1017Cb 0.00 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.47 3k1q s PHE 1017CO 0.00 -0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.20 3k1q n GLY 1018N 3.05 1.16 2.71 4.36 0.00 -1.26 -4.67 105.19 110.54 3k1q n GLY 1018Ca -0.17 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3k1q n GLY 1018CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k1q n THR 1019N 0.00 3.94 -4.38 2.61 -2.24 -1.26 -4.86 114.28 108.10 3k1q n THR 1019Ca 0.00 -3.47 -0.21 0.00 -2.27 0.00 0.00 64.05 58.10 3k1q n THR 1019Cb 0.00 -2.50 -0.13 0.00 -2.10 0.00 0.00 70.33 65.60 3k1q n THR 1019CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3k1q s ILE 1020N 1.93 1.23 -0.17 2.28 -5.25 -1.26 0.11 121.20 120.08 3k1q s ILE 1020Ca 0.48 -1.09 0.01 0.00 -0.99 0.00 0.00 60.65 59.05 3k1q s ILE 1020Cb 0.13 -1.11 0.02 0.00 2.95 0.00 0.00 42.46 44.46 3k1q s ILE 1020CO -0.06 0.01 -0.16 -0.69 -1.79 0.00 0.00 174.94 172.25 3k1q s VAL 1021N -0.90 1.75 0.00 8.37 1.01 0.16 -4.86 120.40 125.93 3k1q s VAL 1021Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3k1q s VAL 1021Cb -0.08 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3k1q s VAL 1021CO 0.02 0.45 0.00 -2.65 0.00 0.00 0.00 175.10 172.92 3k1q n PRO 1022N 4.71 1.10 -1.85 2.72 -0.02 -1.26 -0.56 135.00 139.84 3k1q n PRO 1022Ca -0.18 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.07 3k1q n PRO 1022Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.02 3k1q n PRO 1022CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3k1q n ARG 1023N -0.39 3.38 -2.39 -0.52 1.85 -1.26 -4.11 116.66 113.21 3k1q n ARG 1023Ca 0.00 -4.02 -0.42 0.00 -1.00 0.00 0.00 57.85 52.41 3k1q n ARG 1023Cb 0.00 -2.23 -0.03 0.00 -1.05 0.00 0.00 32.46 29.15 3k1q n ARG 1023CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3k1q s PRO 1024N -3.59 4.40 -0.22 2.89 0.04 -1.26 -3.78 135.00 133.47 3k1q s PRO 1024Ca 0.51 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 63.15 3k1q s PRO 1024Cb 0.42 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 31.60 3k1q s PRO 1024CO 0.03 -0.32 0.33 -1.71 0.04 0.00 0.00 177.00 175.37 3k1q n ASN 1025N 4.22 -2.73 0.00 6.66 5.15 -1.26 -2.11 115.26 125.19 3k1q n ASN 1025Ca 0.10 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 3k1q n ASN 1025Cb 0.46 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 38.91 3k1q n ASN 1025CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3k1q n GLY 1026N -0.08 1.42 3.52 8.20 0.00 -1.25 -5.00 105.19 112.00 3k1q n GLY 1026Ca -0.04 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.45 3k1q n GLY 1026CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1q n LEU 1027N 0.00 0.47 -4.68 0.99 4.77 -0.90 -4.93 117.00 112.72 3k1q n LEU 1027Ca 0.00 1.14 -0.47 0.00 -0.03 0.00 0.00 56.01 56.65 3k1q n LEU 1027Cb 0.00 -1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 3k1q n LEU 1027CO 0.00 -1.81 1.46 -0.62 -1.33 0.00 0.00 177.39 175.09 3k1q n GLU 1028N 1.61 2.28 -1.70 3.23 -0.58 -1.26 -4.27 120.64 119.95 3k1q n GLU 1028Ca 0.18 0.84 -0.43 0.00 -0.42 0.00 0.00 57.16 57.32 3k1q n GLU 1028Cb 0.18 -2.68 -0.03 0.00 -0.57 0.00 0.00 31.44 28.34 3k1q n GLU 1028CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3k1q s PRO 1029N 3.58 3.44 0.31 3.49 0.04 -1.26 -4.65 135.00 139.95 3k1q s PRO 1029Ca 0.90 2.09 0.08 0.00 0.04 0.00 0.00 61.00 64.10 3k1q s PRO 1029Cb -0.65 -4.28 -0.06 0.00 0.04 0.00 0.00 34.50 29.55 3k1q s PRO 1029CO 0.48 -1.75 -0.07 -0.65 0.04 0.00 0.00 177.00 175.05 3k1q s GLN 1030N 5.71 1.68 0.09 4.56 -0.21 0.27 -1.49 119.66 130.27 3k1q s GLN 1030Ca 0.93 -1.86 0.10 0.00 0.02 0.00 0.00 55.36 54.55 3k1q s GLN 1030Cb -0.34 -1.38 -0.03 0.00 1.00 0.00 0.00 33.01 32.26 3k1q s GLN 1030CO 0.36 0.07 -0.26 -1.17 -2.12 0.00 0.00 175.29 172.17 3k1q s LEU 1031N -3.52 2.26 -0.93 2.90 0.20 0.87 0.38 118.68 120.83 3k1q s LEU 1031Ca 0.31 -0.67 -0.15 0.00 0.69 0.00 0.00 54.13 54.30 3k1q s LEU 1031Cb 0.04 -1.18 0.19 0.00 -0.43 0.00 0.00 46.19 44.80 3k1q s LEU 1031CO 0.14 0.19 1.00 -0.63 -0.29 0.00 0.00 176.35 176.76 3k1q s ILE 1032N -0.97 5.27 -0.73 6.68 -1.09 0.30 -0.19 121.20 130.47 3k1q s ILE 1032Ca 0.12 -2.26 -0.26 0.00 -2.23 0.00 0.00 60.65 56.02 3k1q s ILE 1032Cb -0.10 -4.64 -0.13 0.00 -1.58 0.00 0.00 42.46 36.02 3k1q s ILE 1032CO 0.04 -1.28 2.42 0.47 -1.23 0.00 0.00 174.94 175.36 3k1q n ASP 1033N 4.95 1.93 0.00 3.58 10.43 -0.19 -4.54 116.55 132.70 3k1q n ASP 1033Ca 0.21 -1.29 0.00 0.00 2.57 0.00 0.00 54.79 56.28 3k1q n ASP 1033Cb 0.47 -1.65 0.00 0.00 1.84 0.00 0.00 41.12 41.77 3k1q n ASP 1033CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3k1q n ASP 1034N 18.21 0.00 -1.38 -2.24 9.92 -1.26 -1.96 116.55 137.84 3k1q n ASP 1034Ca 0.45 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.67 3k1q n ASP 1034Cb 0.46 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.95 3k1q n ASP 1034CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k1q n GLY 1035N 0.00 2.61 2.88 0.44 0.00 -1.26 -4.71 105.19 105.15 3k1q n GLY 1035Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 3k1q n GLY 1035CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k1q n ASN 1036N 0.77 -6.81 -4.04 1.61 5.15 -0.84 -5.10 115.26 106.00 3k1q n ASN 1036Ca 0.07 -0.17 -0.31 0.00 -0.60 0.00 0.00 54.58 53.57 3k1q n ASN 1036Cb 0.58 -4.69 -0.16 0.00 -0.53 0.00 0.00 39.78 34.98 3k1q n ASN 1036CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3k1q s VAL 1037N -3.07 1.87 -0.65 3.44 1.01 -0.83 -4.82 120.40 117.36 3k1q s VAL 1037Ca 0.08 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 3k1q s VAL 1037Cb -0.01 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3k1q s VAL 1037CO 0.65 0.17 2.08 -2.84 0.00 0.00 0.00 175.10 175.15 3k1q s PRO 1038N 1.29 2.36 -0.05 2.72 0.02 -1.25 -1.03 135.00 139.07 3k1q s PRO 1038Ca -0.03 0.65 0.03 0.00 0.02 0.00 0.00 61.00 61.67 3k1q s PRO 1038Cb -0.17 -4.60 0.01 0.00 0.02 0.00 0.00 34.50 29.75 3k1q s PRO 1038CO -0.08 -3.18 -0.13 1.03 -0.33 0.00 0.00 177.00 174.31 3k1q s ARG 1039N 7.56 1.48 0.18 5.54 1.81 0.73 -4.88 118.95 131.37 3k1q s ARG 1039Ca 0.78 -0.43 -0.31 0.00 -1.72 0.00 0.00 55.73 54.05 3k1q s ARG 1039Cb -0.13 -1.28 -0.17 0.00 -0.45 0.00 0.00 34.95 32.92 3k1q s ARG 1039CO 0.17 0.12 0.82 -0.25 -0.68 0.00 0.00 175.30 175.48 3k1q n ASP 1040N 3.46 -0.08 -4.56 0.23 9.92 -1.26 -0.09 116.55 124.17 3k1q n ASP 1040Ca -0.20 1.15 -0.42 0.00 -0.53 0.00 0.00 54.79 54.78 3k1q n ASP 1040Cb 0.53 -1.06 -0.01 0.00 -0.64 0.00 0.00 41.12 39.94 3k1q n ASP 1040CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3k1q s ILE 1041N -0.69 4.11 -0.25 0.53 1.01 -0.55 -4.68 121.20 120.67 3k1q s ILE 1041Ca 0.69 -1.44 -0.27 0.00 0.00 0.00 0.00 60.65 59.63 3k1q s ILE 1041Cb -0.93 -5.10 0.15 0.00 0.01 0.00 0.00 42.46 36.59 3k1q s ILE 1041CO 0.56 -1.94 1.17 0.00 0.00 0.00 0.00 174.94 174.72 3k1q s ALA 1042N 4.34 -2.04 0.00 9.38 0.00 -1.26 -5.02 121.76 127.16 3k1q s ALA 1042Ca 0.49 1.75 0.00 0.00 0.00 0.00 0.00 51.96 54.20 3k1q s ALA 1042Cb 0.01 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.82 3k1q s ALA 1042CO -0.01 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3k1q n GLY 1043N 1.36 0.60 2.58 0.00 0.00 -1.22 -4.87 105.19 103.64 3k1q n GLY 1043Ca -0.09 -1.46 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 3k1q n GLY 1043CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k1q n ASP 1044N 0.00 2.73 -4.70 1.61 10.43 -0.35 -0.64 116.55 125.62 3k1q n ASP 1044Ca 0.00 -3.18 -0.42 0.00 2.57 0.00 0.00 54.79 53.75 3k1q n ASP 1044Cb 0.00 -0.69 -0.03 0.00 1.84 0.00 0.00 41.12 42.24 3k1q n ASP 1044CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3k1q s TRP 1045N -1.73 3.55 -0.15 1.24 0.23 -0.04 -3.68 118.94 118.35 3k1q s TRP 1045Ca 0.33 1.59 -0.06 0.00 -2.03 0.00 0.00 56.10 55.93 3k1q s TRP 1045Cb 0.07 -3.20 -0.04 0.00 0.03 0.00 0.00 33.47 30.34 3k1q s TRP 1045CO -0.10 -0.30 0.05 0.08 0.96 0.00 0.00 176.95 177.64 3k1q s VAL 1046N 1.49 4.70 -0.31 4.03 1.01 -0.30 -0.38 120.40 130.64 3k1q s VAL 1046Ca 0.51 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.44 3k1q s VAL 1046Cb -0.21 -3.07 0.08 0.00 0.00 0.00 0.00 36.38 33.18 3k1q s VAL 1046CO 0.24 0.52 -0.00 -0.31 0.00 0.00 0.00 175.10 175.54 3k1q s TYR 1047N -0.09 3.52 0.04 5.22 1.51 -0.37 -3.87 117.35 123.31 3k1q s TYR 1047Ca 0.06 -2.60 -0.31 0.00 -1.01 0.00 0.00 57.07 53.21 3k1q s TYR 1047Cb -0.12 -2.50 -0.10 0.00 -0.11 0.00 0.00 41.96 39.13 3k1q s TYR 1047CO 0.01 -0.91 1.91 -2.30 -1.11 0.00 0.00 175.55 173.16 3k1q n PRO 1048N 4.38 2.73 -0.04 -1.71 -0.02 -1.26 -0.50 135.00 138.57 3k1q n PRO 1048Ca -0.05 1.00 -0.01 0.00 -2.02 0.00 0.00 63.50 62.42 3k1q n PRO 1048Cb 0.42 -2.92 -0.01 0.00 -0.02 0.00 0.00 33.50 30.98 3k1q n PRO 1048CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3k1q n SER 1049N 6.77 -0.10 -0.00 2.55 3.41 -0.04 0.46 113.62 126.66 3k1q n SER 1049Ca 0.20 0.18 0.20 0.00 -0.26 0.00 0.00 58.87 59.19 3k1q n SER 1049Cb 0.38 -0.03 0.69 0.00 -0.26 0.00 0.00 64.21 64.99 3k1q n SER 1049CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3k1q h ASP 1050N 0.00 0.00 0.58 4.04 5.19 -1.91 -1.73 116.42 122.60 3k1q h ASP 1050Ca 0.01 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.14 3k1q h ASP 1050Cb 0.04 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.56 3k1q h ASP 1050CO -0.09 0.00 -1.27 1.62 -3.12 0.00 0.00 179.24 176.39 3k1q h VAL 1051N 0.00 1.47 -0.81 -1.35 3.04 -0.35 -1.88 116.25 116.38 3k1q h VAL 1051Ca 0.25 -3.01 0.12 0.00 -1.01 0.00 0.00 66.70 63.05 3k1q h VAL 1051Cb 1.03 2.95 -0.08 0.00 -2.01 0.00 0.00 31.29 33.17 3k1q h VAL 1051CO -0.00 0.88 0.41 0.25 -1.01 0.00 0.00 177.57 178.10 3k1q h LEU 1052N 0.09 0.52 -1.40 3.16 5.85 -0.74 -2.44 115.31 120.34 3k1q h LEU 1052Ca -0.15 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3k1q h LEU 1052Cb 1.99 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 3k1q h LEU 1052CO 0.21 0.26 -0.30 1.56 -0.34 0.00 0.00 178.44 179.83 3k1q h GLN 1053N 0.64 0.00 0.00 1.25 4.20 -1.03 -3.10 115.11 117.07 3k1q h GLN 1053Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 3k1q h GLN 1053Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3k1q h GLN 1053CO -0.32 0.30 0.00 0.28 -0.67 0.00 0.00 178.83 178.42 3k1q n VAL 1054N -3.98 0.00 0.18 -0.54 0.31 -0.74 -2.98 118.33 110.58 3k1q n VAL 1054Ca -0.02 1.13 0.00 0.00 -0.01 0.00 0.00 64.34 65.45 3k1q n VAL 1054Cb 0.36 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 3k1q n VAL 1054CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3k1q n SER 1055N -1.41 2.88 -0.04 4.52 7.64 -1.17 -4.78 113.62 121.26 3k1q n SER 1055Ca 0.00 -1.68 -0.01 0.00 1.01 0.00 0.00 58.87 58.19 3k1q n SER 1055Cb 0.00 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 62.63 3k1q n SER 1055CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3k1q n VAL 1056N 1.15 -0.07 -0.05 0.44 0.24 -1.26 -1.57 118.33 117.21 3k1q n VAL 1056Ca 0.00 1.02 -0.05 0.00 -2.04 0.00 0.00 64.34 63.26 3k1q n VAL 1056Cb 0.35 -1.33 0.15 0.00 -1.47 0.00 0.00 33.84 31.54 3k1q n VAL 1056CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1q h ALA 1057N -0.46 1.01 -0.19 2.33 0.00 -1.96 0.14 119.26 120.14 3k1q h ALA 1057Ca 0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3k1q h ALA 1057Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3k1q h ALA 1057CO -0.10 0.59 -0.37 0.28 0.00 0.00 0.00 179.25 179.65 3k1q h VAL 1058N 0.58 1.34 -0.56 0.00 2.07 -1.73 -1.88 116.25 116.06 3k1q h VAL 1058Ca 0.09 -1.61 -0.06 0.00 0.82 0.00 0.00 66.70 65.93 3k1q h VAL 1058Cb 0.66 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3k1q h VAL 1058CO 0.05 0.50 0.10 2.19 0.02 0.00 0.00 177.57 180.42 3k1q h PHE 1059N 0.24 0.94 0.19 1.57 -5.15 -0.88 -2.01 116.94 111.85 3k1q h PHE 1059Ca 0.01 -0.11 0.01 0.00 -0.20 0.00 0.00 57.97 57.68 3k1q h PHE 1059Cb 0.97 -0.27 -0.03 0.00 0.22 0.00 0.00 35.95 36.85 3k1q h PHE 1059CO 0.09 0.80 -0.27 -0.09 -2.00 0.00 0.00 178.31 176.85 3k1q h ARG 1060N 0.85 -0.50 -0.78 6.09 1.12 -0.43 -1.57 114.38 119.16 3k1q h ARG 1060Ca 0.18 0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.07 3k1q h ARG 1060Cb 0.37 0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.41 3k1q h ARG 1060CO 0.01 -0.34 0.42 0.22 -3.11 0.00 0.00 179.97 177.17 3k1q h ASP 1061N -0.52 0.97 0.01 -3.80 1.82 -1.08 -3.25 116.42 110.56 3k1q h ASP 1061Ca 0.01 -0.08 -0.24 0.00 -0.39 0.00 0.00 57.03 56.33 3k1q h ASP 1061Cb 0.51 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 3k1q h ASP 1061CO -0.11 0.78 -1.30 1.88 -1.61 0.00 0.00 179.24 178.88 3k1q h TYR 1062N 1.09 0.04 -0.20 0.28 0.05 -0.79 -3.40 116.97 114.03 3k1q h TYR 1062Ca 0.27 -0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.88 3k1q h TYR 1062Cb 0.03 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 3k1q h TYR 1062CO 0.01 1.51 -0.42 -0.24 -1.05 0.00 0.00 178.16 177.97 3k1q h VAL 1063N -0.92 1.32 -0.79 -2.88 3.04 -1.41 -3.24 116.25 111.38 3k1q h VAL 1063Ca -0.35 -1.65 0.14 0.00 -1.01 0.00 0.00 66.70 63.84 3k1q h VAL 1063Cb 1.36 1.85 -0.10 0.00 -2.01 0.00 0.00 31.29 32.40 3k1q h VAL 1063CO -0.19 0.51 0.35 -0.25 -1.01 0.00 0.00 177.57 176.98 3k1q h TRP 1064N 0.33 0.60 -0.20 3.17 2.91 -1.74 0.41 115.95 121.43 3k1q h TRP 1064Ca 0.00 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 3k1q h TRP 1064Cb 1.03 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.52 3k1q h TRP 1064CO 0.09 0.10 0.10 -1.35 -1.03 0.00 0.00 178.44 176.35 3k1q h PRO 1065N 0.50 0.28 0.00 2.65 0.11 -1.77 0.27 132.00 134.05 3k1q h PRO 1065Ca 0.43 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.50 3k1q h PRO 1065Cb 0.65 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 3k1q h PRO 1065CO -0.39 0.30 -0.02 0.52 -0.21 0.00 0.00 178.00 178.20 3k1q h MET 1066N 0.20 0.00 0.28 1.05 2.86 -1.28 0.74 114.93 118.77 3k1q h MET 1066Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3k1q h MET 1066Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3k1q h MET 1066CO -0.01 0.02 -0.13 0.28 1.06 0.00 0.00 176.91 178.13 3k1q h VAL 1067N 0.00 0.00 -0.85 -2.22 2.07 0.10 -3.16 116.25 112.19 3k1q h VAL 1067Ca -0.00 -0.20 0.20 0.00 0.82 0.00 0.00 66.70 67.52 3k1q h VAL 1067Cb 0.04 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.69 3k1q h VAL 1067CO 0.00 0.00 0.33 0.11 0.02 0.00 0.00 177.57 178.03 3k1q h LYS 1068N -0.57 0.36 -0.28 1.57 1.79 0.42 -3.26 116.57 116.59 3k1q h LYS 1068Ca -0.04 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.19 3k1q h LYS 1068Cb 0.28 -0.08 -0.22 0.00 -1.58 0.00 0.00 32.23 30.63 3k1q h LYS 1068CO 0.06 0.24 -0.72 0.00 -1.08 0.00 0.00 179.45 177.95 3k1q n ALA 1069N -2.55 3.87 -3.00 3.86 0.00 0.25 -5.05 120.51 117.89 3k1q n ALA 1069Ca 0.19 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.32 3k1q n ALA 1069Cb 0.58 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3k1q n ALA 1069CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 1070N -0.75 1.27 3.20 0.00 0.00 -1.20 -4.97 105.19 102.74 3k1q n GLY 1070Ca 0.25 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 3k1q n GLY 1070CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k1q s ARG 1071N -1.01 2.48 -0.33 1.61 6.06 -1.23 -4.40 118.95 122.14 3k1q s ARG 1071Ca 0.00 -1.24 0.00 0.00 -2.50 0.00 0.00 55.73 51.99 3k1q s ARG 1071Cb 0.00 -3.25 0.14 0.00 0.06 0.00 0.00 34.95 31.90 3k1q s ARG 1071CO 0.00 -0.63 0.28 0.95 -2.50 0.00 0.00 175.30 173.40 3k1q s THR 1072N 1.29 -0.21 -1.32 4.11 -4.23 -1.25 -3.39 115.64 110.65 3k1q s THR 1072Ca -0.04 -0.97 -0.15 0.00 -1.18 0.00 0.00 61.69 59.35 3k1q s THR 1072Cb -0.20 -0.91 0.10 0.00 1.34 0.00 0.00 72.50 72.84 3k1q s THR 1072CO -0.00 -0.66 1.81 0.54 -0.54 0.00 0.00 174.62 175.77 3k1q n ARG 1073N 4.66 3.22 -2.25 3.99 1.74 0.18 -4.70 116.66 123.50 3k1q n ARG 1073Ca 0.05 -3.28 -0.42 0.00 -0.77 0.00 0.00 57.85 53.42 3k1q n ARG 1073Cb 0.43 -3.26 -0.03 0.00 -1.02 0.00 0.00 32.46 28.59 3k1q n ARG 1073CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k1q s VAL 1074N 2.78 3.88 -0.93 1.55 1.01 -1.21 -0.86 120.40 126.62 3k1q s VAL 1074Ca 0.48 1.18 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 3k1q s VAL 1074Cb 0.06 -3.76 0.24 0.00 0.00 0.00 0.00 36.38 32.92 3k1q s VAL 1074CO 0.01 -0.04 0.89 -0.22 0.00 0.00 0.00 175.10 175.73 3k1q s LEU 1075N 2.94 6.57 -1.29 3.92 0.20 0.49 -1.32 118.68 130.19 3k1q s LEU 1075Ca 0.63 -3.05 -0.18 0.00 0.69 0.00 0.00 54.13 52.22 3k1q s LEU 1075Cb -0.29 -2.20 0.08 0.00 -0.43 0.00 0.00 46.19 43.35 3k1q s LEU 1075CO 0.24 -0.46 1.71 -0.69 -0.29 0.00 0.00 176.35 176.86 3k1q s VAL 1076N -0.40 4.20 -0.49 1.68 1.01 0.50 -1.24 120.40 125.66 3k1q s VAL 1076Ca 0.23 -1.96 -0.27 0.00 0.00 0.00 0.00 61.98 59.98 3k1q s VAL 1076Cb -0.10 -5.17 -0.08 0.00 0.00 0.00 0.00 36.38 31.03 3k1q s VAL 1076CO -0.09 -1.99 2.41 1.21 0.00 0.00 0.00 175.10 176.65 3k1q n GLU 1077N 8.16 1.07 -0.12 2.72 4.07 0.34 -2.77 120.64 134.11 3k1q n GLU 1077Ca 0.48 0.05 -0.24 0.00 -0.06 0.00 0.00 57.16 57.39 3k1q n GLU 1077Cb 0.46 -3.31 -0.08 0.00 -0.06 0.00 0.00 31.44 28.45 3k1q n GLU 1077CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3k1q n LEU 1078N 15.16 1.94 0.00 4.31 4.77 -1.26 -0.86 117.00 141.06 3k1q n LEU 1078Ca 0.38 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 3k1q n LEU 1078Cb 0.50 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3k1q n LEU 1078CO 0.72 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3k1q n GLY 1079N 1.33 1.75 3.65 -0.72 0.00 -0.71 -4.86 105.19 105.63 3k1q n GLY 1079Ca -0.42 0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 3k1q n GLY 1079CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k1q s HIS 1080N 0.00 2.72 -0.17 1.61 0.09 -1.26 -1.49 115.29 116.78 3k1q s HIS 1080Ca 0.00 -0.21 -0.30 0.00 -0.00 0.00 0.00 55.06 54.55 3k1q s HIS 1080Cb 0.00 -1.21 0.13 0.00 -0.00 0.00 0.00 32.58 31.50 3k1q s HIS 1080CO 0.00 0.61 1.04 1.52 -0.00 0.00 0.00 174.74 177.91 3k1q s TYR 1081N -2.27 -0.33 -0.10 1.40 -0.85 0.15 -4.97 117.35 110.38 3k1q s TYR 1081Ca 0.31 0.55 -0.11 0.00 -0.52 0.00 0.00 57.07 57.30 3k1q s TYR 1081Cb -0.07 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.68 3k1q s TYR 1081CO 0.20 -0.31 0.25 0.08 -1.52 0.00 0.00 175.55 174.25 3k1q s VAL 1082N -1.16 5.32 -0.08 -3.49 1.01 -1.26 -1.25 120.40 119.49 3k1q s VAL 1082Ca -0.00 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.49 3k1q s VAL 1082Cb -0.01 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3k1q s VAL 1082CO 0.00 0.54 -0.24 -0.72 0.00 0.00 0.00 175.10 174.69 3k1q s TYR 1083N -0.62 2.51 -0.08 5.22 -0.85 -1.24 0.13 117.35 122.43 3k1q s TYR 1083Ca 0.17 -0.85 0.02 0.00 -0.52 0.00 0.00 57.07 55.89 3k1q s TYR 1083Cb -0.14 -1.66 0.01 0.00 0.38 0.00 0.00 41.96 40.56 3k1q s TYR 1083CO 0.06 -0.30 -0.13 -0.08 -1.52 0.00 0.00 175.55 173.59 3k1q s THR 1084N 0.06 1.20 -0.02 -3.49 -1.32 -0.40 -4.80 115.64 106.88 3k1q s THR 1084Ca -0.10 -0.50 -0.01 0.00 -1.21 0.00 0.00 61.69 59.87 3k1q s THR 1084Cb -0.16 -1.10 -0.04 0.00 -1.51 0.00 0.00 72.50 69.70 3k1q s THR 1084CO 0.06 0.37 0.07 -0.76 -2.21 0.00 0.00 174.62 172.15 3k1q s LEU 1085N 0.77 3.85 -0.01 9.08 1.43 0.76 -0.69 118.68 133.88 3k1q s LEU 1085Ca -0.12 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3k1q s LEU 1085Cb -0.16 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.87 3k1q s LEU 1085CO 0.02 0.29 0.03 -1.00 0.23 0.00 0.00 176.35 175.92 3k1q s HIS 1086N -1.15 -0.02 -0.16 0.29 3.76 -0.20 -3.34 115.29 114.46 3k1q s HIS 1086Ca 0.21 0.08 -0.00 0.00 -0.15 0.00 0.00 55.06 55.20 3k1q s HIS 1086Cb -0.12 -0.01 -0.00 0.00 1.11 0.00 0.00 32.58 33.56 3k1q s HIS 1086CO 0.12 -0.02 -0.14 0.71 -0.85 0.00 0.00 174.74 174.56 3k1q s TYR 1087N 0.12 2.81 0.39 1.40 1.51 -1.26 -0.19 117.35 122.12 3k1q s TYR 1087Ca -0.01 -1.06 0.04 0.00 -1.01 0.00 0.00 57.07 55.03 3k1q s TYR 1087Cb -0.01 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 3k1q s TYR 1087CO -0.00 -0.50 0.12 1.52 -1.11 0.00 0.00 175.55 175.58 3k1q s TYR 1088N 0.92 1.80 -0.26 2.71 -0.85 -0.94 -4.99 117.35 115.74 3k1q s TYR 1088Ca -0.03 -1.23 -0.08 0.00 -0.52 0.00 0.00 57.07 55.21 3k1q s TYR 1088Cb -0.15 -1.17 -0.03 0.00 0.38 0.00 0.00 41.96 40.99 3k1q s TYR 1088CO -0.01 -0.25 0.09 0.16 -1.52 0.00 0.00 175.55 174.01 3k1q s ASP 1089N -3.58 5.25 0.00 -0.18 1.47 -1.26 -0.16 116.67 118.21 3k1q s ASP 1089Ca 0.26 -0.23 0.00 0.00 1.18 0.00 0.00 52.55 53.76 3k1q s ASP 1089Cb 0.04 -1.95 0.00 0.00 -0.34 0.00 0.00 42.92 40.67 3k1q s ASP 1089CO 0.15 -0.06 0.00 -0.81 0.68 0.00 0.00 175.17 175.13 3k1q n PRO 1090N 4.94 0.00 -0.10 2.11 -0.04 -1.26 -3.16 135.00 137.48 3k1q n PRO 1090Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 3k1q n PRO 1090Cb 0.51 -1.00 -0.15 0.00 -0.04 0.00 0.00 33.50 32.83 3k1q n PRO 1090CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3k1q n GLN 1091N 0.51 0.68 -4.41 0.54 3.00 -1.26 -0.96 117.38 115.48 3k1q n GLN 1091Ca 0.00 0.04 -0.34 0.00 -0.01 0.00 0.00 57.00 56.70 3k1q n GLN 1091Cb 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 30.24 28.61 3k1q n GLN 1091CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3k1q s ILE 1092N -2.50 4.10 -0.63 5.09 -5.25 -1.19 -4.48 121.20 116.35 3k1q s ILE 1092Ca -0.16 -0.43 -0.27 0.00 -0.99 0.00 0.00 60.65 58.80 3k1q s ILE 1092Cb 0.07 -2.75 -0.11 0.00 2.95 0.00 0.00 42.46 42.62 3k1q s ILE 1092CO 0.77 0.53 2.47 -1.20 -1.79 0.00 0.00 174.94 175.71 3k1q n SER 1093N 1.91 1.80 -4.30 4.36 7.64 -1.25 -4.77 113.62 119.01 3k1q n SER 1093Ca -0.17 -0.48 -0.30 0.00 1.01 0.00 0.00 58.87 58.93 3k1q n SER 1093Cb 0.53 -1.44 -0.16 0.00 -1.01 0.00 0.00 64.21 62.13 3k1q n SER 1093CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3k1q s LEU 1094N 11.62 2.08 -0.07 -3.43 2.34 -1.19 -5.01 118.68 125.01 3k1q s LEU 1094Ca 1.06 -0.48 0.04 0.00 0.06 0.00 0.00 54.13 54.80 3k1q s LEU 1094Cb -0.39 -1.29 -0.01 0.00 -0.56 0.00 0.00 46.19 43.94 3k1q s LEU 1094CO 0.29 0.30 -0.20 -0.62 -1.06 0.00 0.00 176.35 175.06 3k1q s ASP 1095N -0.74 3.45 0.00 1.48 2.15 -1.26 0.37 116.67 122.12 3k1q s ASP 1095Ca 0.10 -0.41 0.04 0.00 0.43 0.00 0.00 52.55 52.70 3k1q s ASP 1095Cb -0.10 -1.02 0.21 0.00 -0.30 0.00 0.00 42.92 41.72 3k1q s ASP 1095CO -0.00 0.25 0.63 -0.62 -0.17 0.00 0.00 175.17 175.25 3k1q n GLU 1096N 2.95 0.13 -0.15 4.34 1.02 -0.19 -4.33 120.64 124.42 3k1q n GLU 1096Ca -0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.94 3k1q n GLU 1096Cb 0.52 -1.41 0.06 0.00 -0.02 0.00 0.00 31.44 30.59 3k1q n GLU 1096CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k1q h ALA 1097N 2.09 0.54 0.10 0.62 0.00 -1.96 -2.59 119.26 118.05 3k1q h ALA 1097Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3k1q h ALA 1097Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3k1q h ALA 1097CO 0.00 -0.31 -0.50 -1.35 0.00 0.00 0.00 179.25 177.09 3k1q h PRO 1098N 0.23 -0.69 -0.33 0.00 0.11 -2.00 0.13 132.00 129.46 3k1q h PRO 1098Ca 0.24 0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 3k1q h PRO 1098Cb 0.32 0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3k1q h PRO 1098CO -0.31 -0.46 0.11 -0.84 -0.21 0.00 0.00 178.00 176.29 3k1q h ILE 1099N -0.72 1.14 0.33 4.15 3.07 -1.88 -0.09 117.51 123.51 3k1q h ILE 1099Ca 0.01 -0.46 -0.01 0.00 1.55 0.00 0.00 64.86 65.95 3k1q h ILE 1099Cb 0.74 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.05 3k1q h ILE 1099CO -0.29 0.17 -0.25 -0.07 -1.05 0.00 0.00 178.15 176.66 3k1q h LEU 1100N 0.46 -0.65 -0.25 0.16 3.38 -0.66 -0.81 115.31 116.95 3k1q h LEU 1100Ca 0.11 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3k1q h LEU 1100Cb 0.13 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3k1q h LEU 1100CO -0.01 -0.38 0.06 -0.33 0.09 0.00 0.00 178.44 177.87 3k1q h GLU 1101N -0.58 0.40 -0.56 1.13 5.08 -0.26 -1.47 114.58 118.31 3k1q h GLU 1101Ca -0.03 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3k1q h GLU 1101Cb 0.50 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 3k1q h GLU 1101CO -0.00 0.51 0.19 0.93 -1.00 0.00 0.00 179.01 179.64 3k1q h GLU 1102N 0.22 0.35 -0.15 2.33 5.08 -0.88 0.37 114.58 121.90 3k1q h GLU 1102Ca 0.08 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3k1q h GLU 1102Cb 0.29 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 3k1q h GLU 1102CO 0.00 0.23 -0.39 2.35 -1.00 0.00 0.00 179.01 180.20 3k1q h TRP 1103N 0.36 -1.11 -0.73 4.33 2.91 -0.45 -1.60 115.95 119.66 3k1q h TRP 1103Ca 0.28 0.05 0.03 0.00 1.13 0.00 0.00 58.89 60.38 3k1q h TRP 1103Cb 0.35 0.51 -0.04 0.00 -0.51 0.00 0.00 29.16 29.46 3k1q h TRP 1103CO -0.18 -0.45 0.46 -0.07 -1.03 0.00 0.00 178.44 177.17 3k1q h LEU 1104N -0.45 0.76 -2.51 0.65 3.38 -0.68 -0.95 115.31 115.52 3k1q h LEU 1104Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k1q h LEU 1104Cb 0.60 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3k1q h LEU 1104CO -0.40 0.53 -0.01 -1.28 0.09 0.00 0.00 178.44 177.37 3k1q h SER 1105N 0.90 0.00 -0.32 -0.43 0.87 0.13 -2.39 113.55 112.31 3k1q h SER 1105Ca 0.29 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.68 3k1q h SER 1105Cb 0.01 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.87 3k1q h SER 1105CO -0.11 0.01 -0.12 0.29 -0.53 0.00 0.00 176.83 176.38 3k1q n LYS 1106N -3.67 1.82 -3.97 2.24 4.76 -0.39 -4.93 118.16 114.01 3k1q n LYS 1106Ca -0.03 -3.20 -0.35 0.00 -2.87 0.00 0.00 58.31 51.86 3k1q n LYS 1106Cb 0.10 -1.80 -0.11 0.00 -1.84 0.00 0.00 35.03 31.37 3k1q n LYS 1106CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3k1q s ILE 1107N -3.25 4.52 -0.09 -0.18 1.01 -0.90 -4.49 121.20 117.81 3k1q s ILE 1107Ca 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 3k1q s ILE 1107Cb 0.40 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3k1q s ILE 1107CO -0.01 0.42 -0.06 0.21 0.00 0.00 0.00 174.94 175.50 3k1q s ASN 1108N 0.83 4.69 0.30 3.58 3.84 -1.25 -5.00 114.94 121.93 3k1q s ASN 1108Ca 0.03 -0.06 0.25 0.00 0.21 0.00 0.00 52.86 53.29 3k1q s ASN 1108Cb -0.14 -1.37 1.00 0.00 -0.55 0.00 0.00 41.25 40.19 3k1q s ASN 1108CO 0.02 0.30 0.99 -2.65 -2.79 0.00 0.00 177.10 172.97 3k1q n PRO 1109N 2.62 -0.01 -0.14 0.43 -0.02 -1.16 -0.66 135.00 136.06 3k1q n PRO 1109Ca -0.18 0.75 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3k1q n PRO 1109Cb 0.53 -1.57 0.18 0.00 -0.02 0.00 0.00 33.50 32.62 3k1q n PRO 1109CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q n ALA 1110N -2.56 2.43 -2.53 3.55 0.00 -1.26 -4.71 120.51 115.42 3k1q n ALA 1110Ca 0.26 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 3k1q n ALA 1110Cb 1.09 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 19.61 3k1q n ALA 1110CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1q s GLY 1111N -1.64 0.78 -0.22 0.00 0.00 0.16 -4.55 107.32 101.84 3k1q s GLY 1111Ca 0.36 -1.18 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 3k1q s GLY 1111CO 0.31 -1.05 0.56 -1.50 0.00 0.00 0.00 173.10 171.42 3k1q s ILE 1112N -4.03 -0.01 0.77 0.90 1.10 -1.06 -3.86 121.20 115.02 3k1q s ILE 1112Ca 0.23 0.04 -0.11 0.00 -0.51 0.00 0.00 60.65 60.30 3k1q s ILE 1112Cb 0.05 -0.80 0.06 0.00 0.15 0.00 0.00 42.46 41.91 3k1q s ILE 1112CO 0.03 0.01 1.08 -2.16 -2.11 0.00 0.00 174.94 171.80 3k1q s PRO 1113N 1.26 2.28 0.17 3.50 0.04 -1.26 -0.94 135.00 140.04 3k1q s PRO 1113Ca -0.08 0.87 -0.33 0.00 0.04 0.00 0.00 61.00 61.50 3k1q s PRO 1113Cb -0.06 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 3k1q s PRO 1113CO -0.13 -1.54 1.33 -2.30 0.04 0.00 0.00 177.00 174.40 3k1q n PRO 1114N -3.41 1.54 -2.97 0.56 -0.02 -1.26 -4.83 135.00 124.61 3k1q n PRO 1114Ca 0.08 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 3k1q n PRO 1114Cb 0.55 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3k1q n PRO 1114CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k1q s VAL 1115N 0.16 4.81 0.53 -1.45 1.01 0.12 -4.70 120.40 120.88 3k1q s VAL 1115Ca 0.75 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 63.66 3k1q s VAL 1115Cb -0.80 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 31.39 3k1q s VAL 1115CO 0.48 -0.24 1.11 -2.84 0.00 0.00 0.00 175.10 173.61 3k1q s PRO 1116N 2.91 3.44 -0.05 2.72 0.02 -1.26 -1.27 135.00 141.52 3k1q s PRO 1116Ca 0.31 1.54 -0.05 0.00 0.02 0.00 0.00 61.00 62.82 3k1q s PRO 1116Cb -0.14 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.37 3k1q s PRO 1116CO 0.13 -0.76 0.14 -0.06 -0.33 0.00 0.00 177.00 176.12 3k1q s PHE 1117N -1.85 -0.13 -0.08 6.54 0.40 0.14 -4.91 117.98 118.10 3k1q s PHE 1117Ca 0.71 0.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.35 3k1q s PHE 1117Cb -0.22 0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.32 3k1q s PHE 1117CO 0.26 -0.11 -0.06 0.00 0.70 0.00 0.00 175.22 176.01 3k1q s ILE 1119N -0.70 1.09 0.22 0.00 1.09 0.73 -3.85 121.20 119.78 3k1q s ILE 1119Ca 0.11 -0.45 -0.30 0.00 -1.10 0.00 0.00 60.65 58.91 3k1q s ILE 1119Cb -0.11 -1.01 -0.09 0.00 -1.06 0.00 0.00 42.46 40.19 3k1q s ILE 1119CO 0.02 0.35 1.35 -2.16 -0.10 0.00 0.00 174.94 174.39 3k1q s PRO 1120N 0.72 4.35 0.28 2.79 0.04 -1.26 -2.21 135.00 139.72 3k1q s PRO 1120Ca -0.14 2.13 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 3k1q s PRO 1120Cb -0.16 -3.17 -0.14 0.00 0.04 0.00 0.00 34.50 31.07 3k1q s PRO 1120CO 0.03 -0.30 0.99 0.44 0.04 0.00 0.00 177.00 178.20 3k1q n ILE 1121N 2.51 1.95 -1.46 0.56 -6.64 0.77 -4.84 119.36 112.21 3k1q n ILE 1121Ca 0.06 -0.49 -0.45 0.00 -1.77 0.00 0.00 62.75 60.10 3k1q n ILE 1121Cb 0.42 -0.94 -0.10 0.00 -1.44 0.00 0.00 39.64 37.58 3k1q n ILE 1121CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 3k1q n PRO 1122N 0.78 0.53 -1.53 6.28 -0.02 -1.26 -4.84 135.00 134.94 3k1q n PRO 1122Ca 0.10 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 3k1q n PRO 1122Cb 0.31 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 3k1q n PRO 1122CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3k1q n GLN 1123N 8.38 1.08 -1.46 -0.52 3.00 -1.26 -4.85 117.38 121.76 3k1q n GLN 1123Ca 0.51 0.16 0.02 0.00 -0.01 0.00 0.00 57.00 57.68 3k1q n GLN 1123Cb 0.19 -2.96 0.07 0.00 0.00 0.00 0.00 30.24 27.55 3k1q n GLN 1123CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3k1q n VAL 1124N 7.74 0.91 -4.86 5.09 0.24 -1.26 -1.52 118.33 124.66 3k1q n VAL 1124Ca 0.40 -2.04 -0.33 0.00 -2.04 0.00 0.00 64.34 60.34 3k1q n VAL 1124Cb 0.40 0.58 -0.15 0.00 -1.47 0.00 0.00 33.84 33.20 3k1q n VAL 1124CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 3k1q s TYR 1125N -1.57 2.76 -1.08 6.34 -0.85 -1.26 -4.99 117.35 116.71 3k1q s TYR 1125Ca 0.35 -0.69 -0.20 0.00 -0.52 0.00 0.00 57.07 56.02 3k1q s TYR 1125Cb 0.38 -1.81 0.09 0.00 0.38 0.00 0.00 41.96 41.00 3k1q s TYR 1125CO -0.11 -0.23 1.42 -1.25 -1.52 0.00 0.00 175.55 173.86 3k1q s PRO 1126N 0.29 3.74 -0.23 -3.49 0.04 -1.26 -4.92 135.00 129.16 3k1q s PRO 1126Ca -0.11 -1.65 -0.31 0.00 0.04 0.00 0.00 61.00 58.97 3k1q s PRO 1126Cb -0.16 -5.24 0.16 0.00 0.04 0.00 0.00 34.50 29.30 3k1q s PRO 1126CO 0.06 -2.05 1.23 0.00 0.04 0.00 0.00 177.00 176.28 3k1q s ILE 1128N -1.38 2.21 -0.02 0.00 -4.36 -1.26 -5.05 121.20 111.33 3k1q s ILE 1128Ca 0.06 0.10 -0.16 0.00 -0.26 0.00 0.00 60.65 60.39 3k1q s ILE 1128Cb -0.01 -2.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.07 3k1q s ILE 1128CO -0.05 -0.06 0.43 0.42 0.24 0.00 0.00 174.94 175.93 3k1q s THR 1129N -2.10 5.04 0.54 8.37 -4.23 -1.26 -4.90 115.64 117.11 3k1q s THR 1129Ca 0.73 0.89 -0.17 0.00 -1.18 0.00 0.00 61.69 61.96 3k1q s THR 1129Cb -0.28 -3.75 -0.06 0.00 1.34 0.00 0.00 72.50 69.75 3k1q s THR 1129CO 0.48 0.52 1.03 0.00 -0.54 0.00 0.00 174.62 176.11 3k1q s ALA 1130N -0.67 2.87 0.24 3.99 0.00 -0.13 -4.81 121.76 123.25 3k1q s ALA 1130Ca 0.24 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.27 3k1q s ALA 1130Cb -0.16 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 3k1q s ALA 1130CO 0.13 -0.50 1.61 0.50 0.00 0.00 0.00 175.76 177.50 3k1q s ARG 1131N -3.86 4.15 0.01 0.00 3.00 -1.26 -4.06 118.95 116.93 3k1q s ARG 1131Ca 0.63 2.52 0.05 0.00 -1.00 0.00 0.00 55.73 57.93 3k1q s ARG 1131Cb -0.14 -3.07 -0.02 0.00 0.00 0.00 0.00 34.95 31.72 3k1q s ARG 1131CO 0.31 -0.64 -0.16 1.03 0.00 0.00 0.00 175.30 175.84 3k1q s ARG 1132N 0.32 1.15 -0.37 5.12 0.52 0.33 -3.17 118.95 122.85 3k1q s ARG 1132Ca 0.68 -0.68 -0.00 0.00 -0.52 0.00 0.00 55.73 55.21 3k1q s ARG 1132Cb -0.47 -1.15 0.10 0.00 0.52 0.00 0.00 34.95 33.95 3k1q s ARG 1132CO 0.40 0.30 0.12 0.08 0.02 0.00 0.00 175.30 176.21 3k1q s VAL 1133N -0.59 2.90 0.13 3.52 1.01 0.16 -0.29 120.40 127.24 3k1q s VAL 1133Ca 0.05 -2.03 0.08 0.00 0.00 0.00 0.00 61.98 60.08 3k1q s VAL 1133Cb -0.07 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3k1q s VAL 1133CO 0.00 -0.55 -0.12 -1.00 0.00 0.00 0.00 175.10 173.43 3k1q s HIS 1134N 1.08 2.67 0.13 5.22 3.76 0.80 -1.02 115.29 127.93 3k1q s HIS 1134Ca 0.06 -0.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 3k1q s HIS 1134Cb -0.21 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.10 3k1q s HIS 1134CO -0.05 0.44 0.00 0.66 -0.85 0.00 0.00 174.74 174.94 3k1q n TYR 1135N 0.55 -0.42 -2.54 1.40 4.01 -1.26 -2.20 117.16 116.71 3k1q n TYR 1135Ca -0.13 0.07 -0.43 0.00 -0.16 0.00 0.00 57.90 57.25 3k1q n TYR 1135Cb 0.53 0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.64 3k1q n TYR 1135CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k1q s ALA 1136N -2.00 3.61 -0.08 -0.72 0.00 -1.18 -0.29 121.76 121.11 3k1q s ALA 1136Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.40 3k1q s ALA 1136Cb 0.00 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 3k1q s ALA 1136CO 0.00 -1.00 -0.24 -0.06 0.00 0.00 0.00 175.76 174.46 3k1q s PHE 1137N 3.02 2.42 0.63 0.00 0.40 -0.68 -4.59 117.98 119.19 3k1q s PHE 1137Ca 0.51 -0.85 -0.18 0.00 -0.60 0.00 0.00 56.93 55.80 3k1q s PHE 1137Cb -0.20 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 3k1q s PHE 1137CO 0.13 -0.31 1.25 0.95 0.70 0.00 0.00 175.22 177.95 3k1q s THR 1138N 0.10 2.28 0.37 0.64 -4.23 0.25 -1.23 115.64 113.81 3k1q s THR 1138Ca -0.11 0.17 0.19 0.00 -1.18 0.00 0.00 61.69 60.76 3k1q s THR 1138Cb -0.16 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.82 3k1q s THR 1138CO 0.06 -0.04 1.92 0.28 -0.54 0.00 0.00 174.62 176.30 3k1q h SER 1139N 0.62 0.00 -4.83 3.99 0.02 -1.00 -3.42 113.55 108.91 3k1q h SER 1139Ca -0.51 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.28 3k1q h SER 1139Cb 1.32 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.64 3k1q h SER 1139CO 0.54 0.26 -0.65 -0.70 -1.14 0.00 0.00 176.83 175.13 3k1q s GLU 1140N -4.18 0.32 -0.79 3.45 2.56 -1.26 -4.93 118.70 113.86 3k1q s GLU 1140Ca -0.03 -0.48 -0.26 0.00 0.00 0.00 0.00 54.97 54.21 3k1q s GLU 1140Cb 0.14 0.12 0.01 0.00 2.00 0.00 0.00 34.13 36.40 3k1q s GLU 1140CO 0.67 -0.06 1.56 -0.80 -0.56 0.00 0.00 175.26 176.07 3k1q s ASN 1141N -1.27 5.87 -0.08 -1.70 -0.87 -1.26 -4.83 114.94 110.80 3k1q s ASN 1141Ca -0.14 -0.51 0.17 0.00 -1.57 0.00 0.00 52.86 50.82 3k1q s ASN 1141Cb -0.08 -2.55 0.64 0.00 -0.02 0.00 0.00 41.25 39.23 3k1q s ASN 1141CO -0.00 -2.03 1.53 0.59 -2.57 0.00 0.00 177.10 174.62 3k1q n ASN 1142N 10.78 4.18 -1.02 -1.22 3.02 -1.25 -4.71 115.26 125.03 3k1q n ASN 1142Ca 0.19 -2.32 -0.02 0.00 -0.03 0.00 0.00 54.58 52.40 3k1q n ASN 1142Cb 0.50 -0.53 0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3k1q n ASN 1142CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3k1q n ASN 1143N 1.08 2.67 0.13 6.41 6.94 -1.26 -4.20 115.26 127.04 3k1q n ASN 1143Ca 0.23 -2.19 -0.01 0.00 -0.02 0.00 0.00 54.58 52.59 3k1q n ASN 1143Cb 0.77 -0.54 0.18 0.00 -2.36 0.00 0.00 39.78 37.82 3k1q n ASN 1143CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 3k1q h ASP 1144N 0.25 0.03 -0.02 0.53 3.04 -1.97 -2.83 116.42 115.45 3k1q h ASP 1144Ca 0.06 -0.02 0.01 0.00 -3.24 0.00 0.00 57.03 53.84 3k1q h ASP 1144Cb 1.09 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.37 3k1q h ASP 1144CO 0.12 0.62 0.03 0.77 -2.04 0.00 0.00 179.24 178.74 3k1q h SER 1145N 0.02 0.00 -1.55 4.15 4.64 -1.89 -3.42 113.55 115.50 3k1q h SER 1145Ca -0.01 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.68 3k1q h SER 1145Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3k1q h SER 1145CO 0.08 0.00 1.46 -0.11 -0.87 0.00 0.00 176.83 177.39 3k1q n LEU 1146N -3.72 2.72 0.09 5.97 7.94 -1.07 0.17 117.00 129.11 3k1q n LEU 1146Ca -0.02 0.30 -0.23 0.00 -1.11 0.00 0.00 56.01 54.95 3k1q n LEU 1146Cb 0.11 -1.42 -0.15 0.00 0.53 0.00 0.00 43.42 42.49 3k1q n LEU 1146CO 0.26 -0.71 -0.48 0.15 -1.11 0.00 0.00 177.39 175.51 3k1q h PHE 1147N 13.77 0.78 -1.56 1.96 3.57 -1.01 -3.47 116.94 130.99 3k1q h PHE 1147Ca -0.34 -0.57 0.07 0.00 3.53 0.00 0.00 57.97 60.66 3k1q h PHE 1147Cb 1.28 -0.03 -0.26 0.00 2.79 0.00 0.00 35.95 39.72 3k1q h PHE 1147CO 0.95 1.66 0.50 0.45 -2.23 0.00 0.00 178.31 179.63 3k1q s SER 1148N -7.36 -0.41 0.00 0.41 0.15 -0.92 -3.27 113.70 102.29 3k1q s SER 1148Ca -0.15 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.26 3k1q s SER 1148Cb 0.05 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 3k1q s SER 1148CO 0.87 -0.16 0.00 0.35 1.20 0.00 0.00 173.24 175.50 3k1q n THR 1149N 2.00 0.00 -3.12 6.45 -2.24 -1.26 -1.98 114.28 114.13 3k1q n THR 1149Ca -0.12 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.22 3k1q n THR 1149Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3k1q n THR 1149CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3k1q n ASN 1150N 0.00 5.58 -0.13 3.42 5.15 -1.07 -4.11 115.26 124.09 3k1q n ASN 1150Ca 0.00 -3.09 0.24 0.00 -0.60 0.00 0.00 54.58 51.12 3k1q n ASN 1150Cb 0.00 -1.41 0.67 0.00 -0.53 0.00 0.00 39.78 38.51 3k1q n ASN 1150CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k1q h ALA 1151N 6.49 2.61 -0.25 5.20 0.00 -1.52 -0.91 119.26 130.88 3k1q h ALA 1151Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3k1q h ALA 1151Cb 0.81 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3k1q h ALA 1151CO 1.17 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3k1q n ALA 1152N -2.65 2.49 -2.78 0.00 0.00 -1.26 -1.40 120.51 114.91 3k1q n ALA 1152Ca 0.15 -0.60 -0.25 0.00 0.00 0.00 0.00 53.44 52.74 3k1q n ALA 1152Cb 0.78 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 3k1q n ALA 1152CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k1q s SER 1153N -1.37 5.39 0.31 0.00 0.15 -0.35 -4.89 113.70 112.94 3k1q s SER 1153Ca 0.30 -0.20 0.24 0.00 0.70 0.00 0.00 55.95 56.99 3k1q s SER 1153Cb 0.16 -1.36 0.41 0.00 -1.71 0.00 0.00 66.02 63.52 3k1q s SER 1153CO 0.24 0.05 1.53 0.40 1.20 0.00 0.00 173.24 176.65 3k1q h ILE 1154N 2.00 0.00 -2.96 6.45 2.04 -1.87 -2.72 117.51 120.46 3k1q h ILE 1154Ca -0.48 -0.81 -0.12 0.00 1.00 0.00 0.00 64.86 64.46 3k1q h ILE 1154Cb 1.21 1.68 -0.21 0.00 -0.74 0.00 0.00 36.82 38.76 3k1q h ILE 1154CO 0.62 0.00 -0.26 1.51 0.00 0.00 0.00 178.15 180.02 3k1q s ASP 1155N -5.41 -0.24 0.00 1.72 1.47 -1.26 -4.85 116.67 108.09 3k1q s ASP 1155Ca 0.07 0.22 0.00 0.00 1.18 0.00 0.00 52.55 54.01 3k1q s ASP 1155Cb 0.09 0.39 0.00 0.00 -0.34 0.00 0.00 42.92 43.06 3k1q s ASP 1155CO 0.68 -0.40 0.00 0.35 0.68 0.00 0.00 175.17 176.47 3k1q n THR 1156N 1.52 0.00 0.11 2.11 -2.24 -1.26 -4.77 114.28 109.75 3k1q n THR 1156Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3k1q n THR 1156Cb 0.56 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3k1q n THR 1156CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n ALA 1157N -3.00 2.21 -2.44 6.98 0.00 -0.58 -4.57 120.51 119.11 3k1q n ALA 1157Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3k1q n ALA 1157Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3k1q n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k1q s PHE 1158N -1.65 2.59 -0.28 0.00 2.19 -1.26 -4.85 117.98 114.71 3k1q s PHE 1158Ca 0.00 -0.24 -0.02 0.00 0.33 0.00 0.00 56.93 57.00 3k1q s PHE 1158Cb 0.00 -1.55 0.00 0.00 -1.31 0.00 0.00 43.02 40.17 3k1q s PHE 1158CO 0.00 0.17 0.07 0.41 1.83 0.00 0.00 175.22 177.70 3k1q n GLY 1159N 2.04 -3.43 3.51 13.12 0.00 -1.26 -4.70 105.19 114.48 3k1q n GLY 1159Ca -0.17 0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 3k1q n GLY 1159CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k1q n GLU 1160N 0.67 0.51 -2.86 1.61 2.13 -1.26 -4.92 120.64 116.53 3k1q n GLU 1160Ca 0.01 0.02 -0.19 0.00 0.66 0.00 0.00 57.16 57.66 3k1q n GLU 1160Cb 0.12 -2.37 0.03 0.00 0.27 0.00 0.00 31.44 29.49 3k1q n GLU 1160CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3k1q s ASN 1161N 10.11 5.35 0.13 4.31 2.20 -1.26 -5.15 114.94 130.63 3k1q s ASN 1161Ca 1.18 -0.34 0.06 0.00 -0.94 0.00 0.00 52.86 52.82 3k1q s ASN 1161Cb -0.79 -0.55 -0.04 0.00 -2.00 0.00 0.00 41.25 37.87 3k1q s ASN 1161CO 0.40 -1.05 0.03 0.00 -2.94 0.00 0.00 177.10 173.54 3k1q s ALA 1162N -2.59 3.34 0.58 3.54 0.00 -1.26 -5.15 121.76 120.22 3k1q s ALA 1162Ca 0.58 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3k1q s ALA 1162Cb -0.09 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 21.89 3k1q s ALA 1162CO 0.36 0.59 0.82 0.00 0.00 0.00 0.00 175.76 177.53 3k1q s ALA 1163N -1.55 3.82 0.17 0.00 0.00 -1.26 -4.53 121.76 118.42 3k1q s ALA 1163Ca 0.28 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 3k1q s ALA 1163Cb -0.11 -2.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.82 3k1q s ALA 1163CO 0.20 -0.86 0.13 1.55 0.00 0.00 0.00 175.76 176.77 3k1q n VAL 1164N -2.44 0.59 -3.81 0.00 3.14 -1.20 -4.90 118.33 109.70 3k1q n VAL 1164Ca 0.09 -0.26 -0.36 0.00 -2.96 0.00 0.00 64.34 60.85 3k1q n VAL 1164Cb 0.60 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.30 3k1q n VAL 1164CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3k1q s SER 1165N -0.52 6.18 0.56 6.55 0.15 -1.26 -5.00 113.70 120.36 3k1q s SER 1165Ca 0.32 0.28 0.32 0.00 0.70 0.00 0.00 55.95 57.57 3k1q s SER 1165Cb -0.39 -2.06 1.45 0.00 -1.71 0.00 0.00 66.02 63.32 3k1q s SER 1165CO 0.32 0.25 1.81 -0.65 1.20 0.00 0.00 173.24 176.16 3k1q h PRO 1166N 6.15 0.00 -0.62 5.44 0.11 -1.96 -3.18 132.00 137.95 3k1q h PRO 1166Ca -0.45 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 3k1q h PRO 1166Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3k1q h PRO 1166CO 0.70 0.00 0.31 1.25 -0.21 0.00 0.00 178.00 180.04 3k1q h LEU 1167N 0.00 0.42 -2.48 2.35 5.85 -1.98 -1.04 115.31 118.43 3k1q h LEU 1167Ca 0.41 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 3k1q h LEU 1167Cb 1.83 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 3k1q h LEU 1167CO -0.00 0.26 -0.01 0.03 -0.34 0.00 0.00 178.44 178.38 3k1q h ARG 1168N 0.56 0.00 -0.15 1.25 3.08 -1.86 -3.27 114.38 113.99 3k1q h ARG 1168Ca 0.29 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 3k1q h ARG 1168Cb 0.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3k1q h ARG 1168CO -0.21 0.01 -0.29 0.91 -1.07 0.00 0.00 179.97 179.31 3k1q n TRP 1169N -3.15 0.46 -0.21 3.04 7.02 -0.44 -0.57 117.44 123.58 3k1q n TRP 1169Ca -0.02 -1.50 0.02 0.00 -1.02 0.00 0.00 57.50 54.98 3k1q n TRP 1169Cb 0.15 -0.34 0.12 0.00 -2.42 0.00 0.00 31.31 28.81 3k1q n TRP 1169CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 3k1q h PRO 1170N 0.97 0.17 -0.67 -0.99 0.13 -1.49 -1.20 132.00 128.91 3k1q h PRO 1170Ca 0.09 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.28 3k1q h PRO 1170Cb 1.28 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 3k1q h PRO 1170CO 0.16 0.11 0.35 0.78 -0.23 0.00 0.00 178.00 179.17 3k1q h GLY 1171N 0.18 0.99 0.89 1.56 0.00 -1.85 0.20 103.07 105.04 3k1q h GLY 1171Ca 0.34 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 3k1q h GLY 1171CO -0.50 0.10 -0.19 -2.00 0.00 0.00 0.00 176.54 173.95 3k1q h LEU 1172N 0.62 0.61 0.04 3.11 5.85 -1.63 -3.37 115.31 120.54 3k1q h LEU 1172Ca 0.32 -0.44 -0.27 0.00 0.84 0.00 0.00 57.88 58.32 3k1q h LEU 1172Cb 0.28 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3k1q h LEU 1172CO -0.23 0.93 -1.45 1.62 -0.34 0.00 0.00 178.44 178.97 3k1q h VAL 1173N 0.31 1.19 -3.70 1.05 3.04 -1.02 -3.35 116.25 113.77 3k1q h VAL 1173Ca 0.05 -2.94 -0.68 0.00 -1.01 0.00 0.00 66.70 62.13 3k1q h VAL 1173Cb 0.73 2.65 -0.20 0.00 -2.01 0.00 0.00 31.29 32.46 3k1q h VAL 1173CO 0.05 0.74 -0.49 -0.62 -1.01 0.00 0.00 177.57 176.24 3k1q s ASP 1174N -6.56 5.96 0.30 3.17 2.15 0.69 -4.73 116.67 117.65 3k1q s ASP 1174Ca -0.05 -0.46 0.02 0.00 0.43 0.00 0.00 52.55 52.49 3k1q s ASP 1174Cb 0.08 -2.11 0.48 0.00 -0.30 0.00 0.00 42.92 41.07 3k1q s ASP 1174CO 0.83 -0.23 1.82 1.55 -0.17 0.00 0.00 175.17 178.96 3k1q h PRO 1175N 8.46 0.63 0.00 4.34 0.13 -1.85 -2.82 132.00 140.89 3k1q h PRO 1175Ca -0.31 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3k1q h PRO 1175Cb 1.15 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3k1q h PRO 1175CO 0.63 0.67 0.00 0.09 -0.23 0.00 0.00 178.00 179.16 3k1q n ASN 1176N -4.24 0.00 -4.49 1.44 4.13 -1.26 -4.80 115.26 106.03 3k1q n ASN 1176Ca 0.02 0.21 -0.33 0.00 1.68 0.00 0.00 54.58 56.16 3k1q n ASN 1176Cb 0.28 -0.22 -0.13 0.00 -1.54 0.00 0.00 39.78 38.17 3k1q n ASN 1176CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3k1q s TYR 1177N -2.44 2.86 0.33 3.10 6.14 -1.07 -5.10 117.35 121.18 3k1q s TYR 1177Ca 0.00 -0.23 -0.28 0.00 0.64 0.00 0.00 57.07 57.20 3k1q s TYR 1177Cb 0.00 -1.76 -0.13 0.00 0.42 0.00 0.00 41.96 40.49 3k1q s TYR 1177CO 0.01 0.10 1.15 0.54 0.64 0.00 0.00 175.55 177.99 3k1q n ARG 1178N 2.78 1.75 0.28 4.97 3.00 -1.26 -4.93 116.66 123.25 3k1q n ARG 1178Ca -0.18 0.61 0.14 0.00 -0.01 0.00 0.00 57.85 58.42 3k1q n ARG 1178Cb 0.53 -2.12 0.83 0.00 0.00 0.00 0.00 32.46 31.70 3k1q n ARG 1178CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 3k1q h VAL 1179N 2.22 0.51 -0.10 1.55 -1.51 -1.97 -2.28 116.25 114.68 3k1q h VAL 1179Ca -0.43 -0.30 -0.08 0.00 -1.23 0.00 0.00 66.70 64.66 3k1q h VAL 1179Cb 1.31 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 3k1q h VAL 1179CO 0.61 0.06 -0.24 1.23 -1.23 0.00 0.00 177.57 178.01 3k1q h GLY 1180N 0.49 0.36 -3.51 5.19 0.00 -1.91 -0.93 103.07 102.75 3k1q h GLY 1180Ca -0.00 -0.45 -0.57 0.00 0.00 0.00 0.00 47.33 46.31 3k1q h GLY 1180CO 0.01 0.40 0.42 -1.30 0.00 0.00 0.00 176.54 176.08 3k1q n THR 1181N -4.49 2.78 -3.56 4.70 -2.24 -0.86 -4.56 114.28 106.05 3k1q n THR 1181Ca -0.07 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 3k1q n THR 1181Cb 0.44 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 3k1q n THR 1181CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3k1q n ASN 1182N 0.04 1.58 -3.04 3.42 0.23 -1.26 -4.74 115.26 111.48 3k1q n ASN 1182Ca 0.08 -1.75 -0.20 0.00 -0.53 0.00 0.00 54.58 52.17 3k1q n ASN 1182Cb 0.41 -0.04 -0.03 0.00 -2.08 0.00 0.00 39.78 38.04 3k1q n ASN 1182CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3k1q n ASP 1183N -2.06 2.12 -4.94 0.53 2.03 -1.24 -5.08 116.55 107.92 3k1q n ASP 1183Ca 0.00 -3.22 -0.25 0.00 0.52 0.00 0.00 54.79 51.85 3k1q n ASP 1183Cb 0.25 -0.59 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 3k1q n ASP 1183CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k1q s LEU 1184N -2.84 4.08 0.00 -2.67 1.43 -1.25 -0.39 118.68 117.04 3k1q s LEU 1184Ca 0.42 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 54.03 3k1q s LEU 1184Cb 0.34 -3.28 0.31 0.00 0.03 0.00 0.00 46.19 43.59 3k1q s LEU 1184CO -0.09 -0.21 0.94 -2.65 0.23 0.00 0.00 176.35 174.57 3k1q n PRO 1185N -1.41 0.12 0.40 1.29 -0.02 -1.26 -4.87 135.00 129.26 3k1q n PRO 1185Ca -0.05 0.14 -0.18 0.00 -2.02 0.00 0.00 63.50 61.40 3k1q n PRO 1185Cb 0.55 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.44 3k1q n PRO 1185CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3k1q h ASN 1186N 0.00 -0.84 -4.11 2.55 4.21 -1.72 -3.40 115.58 112.27 3k1q h ASN 1186Ca 0.00 0.02 -0.60 0.00 1.21 0.00 0.00 56.30 56.93 3k1q h ASN 1186Cb 0.03 0.22 -0.31 0.00 -1.12 0.00 0.00 38.32 37.14 3k1q h ASN 1186CO 0.00 -0.58 -0.85 -0.60 -1.29 0.00 0.00 177.43 174.11 3k1q s ARG 1187N -5.87 1.85 -0.42 0.81 6.06 0.47 -4.64 118.95 117.21 3k1q s ARG 1187Ca -0.18 -0.70 -0.19 0.00 -2.50 0.00 0.00 55.73 52.16 3k1q s ARG 1187Cb 0.03 -1.66 0.02 0.00 0.06 0.00 0.00 34.95 33.40 3k1q s ARG 1187CO 0.60 0.34 0.54 0.42 -2.50 0.00 0.00 175.30 174.70 3k1q s ILE 1188N -0.19 4.96 0.27 4.11 1.01 -1.26 -3.64 121.20 126.46 3k1q s ILE 1188Ca 0.01 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 3k1q s ILE 1188Cb -0.10 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 3k1q s ILE 1188CO 0.01 -0.49 1.43 -0.89 0.00 0.00 0.00 174.94 175.01 3k1q s THR 1189N 2.48 2.58 0.19 2.92 2.01 -1.26 -4.80 115.64 119.75 3k1q s THR 1189Ca 0.18 0.50 0.07 0.00 0.31 0.00 0.00 61.69 62.75 3k1q s THR 1189Cb -0.16 -3.32 -0.13 0.00 0.01 0.00 0.00 72.50 68.90 3k1q s THR 1189CO 0.16 0.09 1.42 -0.07 -0.69 0.00 0.00 174.62 175.53 3k1q h LEU 1190N 4.61 0.08 -6.53 4.42 3.38 -1.02 0.18 115.31 120.43 3k1q h LEU 1190Ca -0.47 -0.07 -0.39 0.00 0.09 0.00 0.00 57.88 57.04 3k1q h LEU 1190Cb 1.22 -0.03 -0.34 0.00 0.09 0.00 0.00 40.66 41.60 3k1q h LEU 1190CO 0.75 0.87 -0.69 -0.47 0.09 0.00 0.00 178.44 179.00 3k1q s TYR 1191N -3.17 -0.21 0.03 1.13 5.04 -1.15 -2.61 117.35 116.41 3k1q s TYR 1191Ca -0.01 -0.53 0.08 0.00 -2.44 0.00 0.00 57.07 54.17 3k1q s TYR 1191Cb 0.11 -0.56 -0.03 0.00 0.35 0.00 0.00 41.96 41.83 3k1q s TYR 1191CO 0.80 -0.91 -0.24 -0.80 -1.34 0.00 0.00 175.55 173.07 3k1q s ASN 1192N 2.04 3.35 -0.54 4.32 -0.87 -1.22 -4.40 114.94 117.63 3k1q s ASN 1192Ca 0.11 -0.51 -0.28 0.00 -1.57 0.00 0.00 52.86 50.62 3k1q s ASN 1192Cb -0.15 -0.41 -0.00 0.00 -0.02 0.00 0.00 41.25 40.67 3k1q s ASN 1192CO -0.26 0.27 1.59 -0.94 -2.57 0.00 0.00 177.10 175.20 3k1q s SER 1193N -1.15 5.87 0.35 -1.22 1.04 -0.36 -1.74 113.70 116.50 3k1q s SER 1193Ca 0.12 0.46 -0.26 0.00 0.48 0.00 0.00 55.95 56.74 3k1q s SER 1193Cb -0.10 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 3k1q s SER 1193CO 0.02 -1.88 1.07 -0.22 0.98 0.00 0.00 173.24 173.22 3k1q s LEU 1194N 6.95 4.31 -0.28 2.42 2.96 0.32 -4.75 118.68 130.61 3k1q s LEU 1194Ca 0.60 2.14 -0.06 0.00 -0.22 0.00 0.00 54.13 56.60 3k1q s LEU 1194Cb -0.13 -3.95 0.01 0.00 0.50 0.00 0.00 46.19 42.62 3k1q s LEU 1194CO 0.25 -0.36 0.04 -0.31 -1.32 0.00 0.00 176.35 174.66 3k1q s TYR 1195N -1.44 3.11 -0.39 5.38 2.02 -1.25 0.34 117.35 125.12 3k1q s TYR 1195Ca 0.52 -1.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.05 3k1q s TYR 1195Cb -0.26 -2.20 0.02 0.00 -0.40 0.00 0.00 41.96 39.11 3k1q s TYR 1195CO 0.33 -0.59 0.25 0.50 -1.57 0.00 0.00 175.55 174.48 3k1q s ARG 1196N 1.47 2.94 -0.04 -0.62 3.52 -0.38 -4.82 118.95 121.03 3k1q s ARG 1196Ca 0.03 -1.02 0.07 0.00 -0.13 0.00 0.00 55.73 54.67 3k1q s ARG 1196Cb -0.17 -3.85 -0.02 0.00 -1.56 0.00 0.00 34.95 29.35 3k1q s ARG 1196CO 0.01 -0.71 -0.24 0.71 -0.81 0.00 0.00 175.30 174.26 3k1q s TYR 1197N 1.62 2.42 -0.18 5.12 1.51 0.65 -1.07 117.35 127.42 3k1q s TYR 1197Ca 0.04 -0.48 -0.28 0.00 -1.01 0.00 0.00 57.07 55.34 3k1q s TYR 1197Cb -0.19 -1.55 0.09 0.00 -0.11 0.00 0.00 41.96 40.20 3k1q s TYR 1197CO 0.08 -0.06 0.83 1.21 -1.11 0.00 0.00 175.55 176.51 3k1q s ASN 1198N -0.49 -0.58 0.39 2.29 2.47 -1.26 -2.39 114.94 115.38 3k1q s ASN 1198Ca 0.06 0.87 0.08 0.00 0.42 0.00 0.00 52.86 54.28 3k1q s ASN 1198Cb -0.11 0.79 -0.06 0.00 -1.45 0.00 0.00 41.25 40.42 3k1q s ASN 1198CO 0.01 -0.36 0.11 -0.36 -3.72 0.00 0.00 177.10 172.77 3k1q s PHE 1199N -0.48 2.58 -0.05 0.43 0.40 -1.26 -4.63 117.98 114.97 3k1q s PHE 1199Ca -0.03 -0.57 -0.30 0.00 -0.60 0.00 0.00 56.93 55.43 3k1q s PHE 1199Cb -0.02 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.65 3k1q s PHE 1199CO 0.03 0.30 1.27 0.99 0.70 0.00 0.00 175.22 178.50 3k1q s THR 1200N -2.60 4.09 -0.63 0.64 2.01 0.66 -5.01 115.64 114.80 3k1q s THR 1200Ca 0.39 1.42 -0.03 0.00 0.31 0.00 0.00 61.69 63.78 3k1q s THR 1200Cb 0.04 -3.92 0.16 0.00 0.01 0.00 0.00 72.50 68.80 3k1q s THR 1200CO 0.21 -0.01 0.44 -0.31 -0.69 0.00 0.00 174.62 174.26 3k1q s TYR 1201N 2.37 3.41 0.47 4.92 1.51 -1.26 -2.40 117.35 126.37 3k1q s TYR 1201Ca 0.58 -2.73 -0.08 0.00 -1.01 0.00 0.00 57.07 53.83 3k1q s TYR 1201Cb -0.27 -3.19 -0.05 0.00 -0.11 0.00 0.00 41.96 38.34 3k1q s TYR 1201CO 0.23 -0.84 0.82 -1.25 -1.11 0.00 0.00 175.55 173.40 3k1q s PRO 1202N -0.08 3.66 0.32 -1.71 0.04 -1.26 -4.87 135.00 131.09 3k1q s PRO 1202Ca 0.17 0.41 -0.26 0.00 0.04 0.00 0.00 61.00 61.35 3k1q s PRO 1202Cb -0.20 -2.33 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 3k1q s PRO 1202CO -0.03 -0.19 0.96 0.95 0.04 0.00 0.00 177.00 178.73 3k1q s THR 1203N -2.65 4.11 -0.91 1.26 -4.23 -1.26 -5.01 115.64 106.95 3k1q s THR 1203Ca 0.50 1.78 -0.24 0.00 -1.18 0.00 0.00 61.69 62.55 3k1q s THR 1203Cb -0.10 -4.00 0.05 0.00 1.34 0.00 0.00 72.50 69.79 3k1q s THR 1203CO 0.40 0.17 1.35 -0.22 -0.54 0.00 0.00 174.62 175.78 3k1q s LEU 1204N -2.01 3.56 -0.81 4.79 2.96 -0.05 -4.94 118.68 122.18 3k1q s LEU 1204Ca 0.50 -1.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.14 3k1q s LEU 1204Cb -0.20 -2.55 0.21 0.00 0.50 0.00 0.00 46.19 44.15 3k1q s LEU 1204CO 0.26 -1.57 0.72 -1.81 -1.32 0.00 0.00 176.35 172.63 3k1q s ASP 1205N 4.42 6.41 0.25 3.68 1.01 -1.26 0.02 116.67 131.20 3k1q s ASP 1205Ca 0.40 -2.87 0.10 0.00 0.71 0.00 0.00 52.55 50.89 3k1q s ASP 1205Cb -0.04 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 3k1q s ASP 1205CO -0.01 -0.48 -0.08 -0.83 0.21 0.00 0.00 175.17 173.99 3k1q s GLY 1206N 1.60 1.73 -0.17 0.21 0.00 -1.21 -4.31 107.32 105.17 3k1q s GLY 1206Ca 0.19 -1.66 -0.03 0.00 0.00 0.00 0.00 44.72 43.22 3k1q s GLY 1206CO -0.08 -1.72 -0.05 -0.26 0.00 0.00 0.00 173.10 170.99 3k1q s ILE 1207N -2.21 3.60 -0.31 0.90 -4.36 0.21 -0.90 121.20 118.13 3k1q s ILE 1207Ca 0.29 -0.45 -0.11 0.00 -0.26 0.00 0.00 60.65 60.12 3k1q s ILE 1207Cb -0.07 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 3k1q s ILE 1207CO 0.17 0.47 0.19 -0.04 0.24 0.00 0.00 174.94 175.98 3k1q s MET 1208N 0.75 3.57 -0.05 0.37 -1.94 0.36 -2.78 119.30 119.57 3k1q s MET 1208Ca -0.02 -0.58 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 3k1q s MET 1208Cb -0.15 -3.67 0.01 0.00 2.01 0.00 0.00 34.83 33.04 3k1q s MET 1208CO 0.02 -0.36 -0.11 0.71 -0.01 0.00 0.00 175.02 175.27 3k1q s TYR 1209N 1.69 1.28 -0.95 -0.03 1.51 -0.21 -4.70 117.35 115.95 3k1q s TYR 1209Ca 0.06 -0.42 -0.25 0.00 -1.01 0.00 0.00 57.07 55.45 3k1q s TYR 1209Cb -0.17 -0.94 -0.11 0.00 -0.11 0.00 0.00 41.96 40.63 3k1q s TYR 1209CO 0.09 -0.22 2.11 0.14 -1.11 0.00 0.00 175.55 176.56 3k1q s VAL 1210N 0.53 3.27 0.00 0.71 -7.23 -1.26 -0.34 120.40 116.08 3k1q s VAL 1210Ca -0.11 -0.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 3k1q s VAL 1210Cb -0.14 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.00 3k1q s VAL 1210CO 0.02 -0.54 1.00 -1.14 -0.31 0.00 0.00 175.10 174.13 3k1q n ARG 1211N 8.64 0.00 -0.21 4.82 0.63 0.15 -3.14 116.66 127.56 3k1q n ARG 1211Ca 0.43 0.73 0.02 0.00 -0.92 0.00 0.00 57.85 58.11 3k1q n ARG 1211Cb 0.46 -1.50 0.11 0.00 0.45 0.00 0.00 32.46 31.98 3k1q n ARG 1211CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3k1q h SER 1212N 0.00 -0.16 0.03 6.15 4.64 -1.02 0.00 113.55 123.18 3k1q h SER 1212Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3k1q h SER 1212Cb 0.00 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3k1q h SER 1212CO 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 3k1q h ALA 1213N 1.55 1.00 0.00 5.18 0.00 -1.80 -3.51 119.26 121.67 3k1q h ALA 1213Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3k1q h ALA 1213Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3k1q h ALA 1213CO -0.49 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.01