#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upl h PRO 12 N 0.00 0.74 0.58 -1.46 0.11 -1.95 0.36 132.00 130.38 1upl h PRO 12 Ca 0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1upl h PRO 12 Cb 0.00 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 30.95 1upl h PRO 12 CO 0.00 0.49 -0.28 0.00 -0.21 0.00 0.00 178.00 178.00 1upl h ALA 13 N 1.60 -0.99 -0.45 -0.75 0.00 -1.96 -2.33 119.26 114.38 1upl h ALA 13 Ca 0.52 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.33 1upl h ALA 13 Cb 0.80 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1upl h ALA 13 CO -0.29 -0.93 0.10 -0.44 0.00 0.00 0.00 179.25 177.68 1upl h ASP 14 N -0.94 0.03 -0.31 0.00 3.32 -1.86 -1.70 116.42 114.96 1upl h ASP 14 Ca -0.08 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1upl h ASP 14 Cb 0.60 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 1upl h ASP 14 CO 0.13 0.05 -0.39 0.40 -1.72 0.00 0.00 179.24 177.71 1upl h ILE 15 N 0.24 0.16 -0.11 0.35 2.04 -0.33 0.54 117.51 120.41 1upl h ILE 15 Ca 0.22 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.12 1upl h ILE 15 Cb 0.28 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1upl h ILE 15 CO -0.28 0.00 -0.17 0.58 0.00 0.00 0.00 178.15 178.28 1upl h VAL 16 N -0.36 0.57 -0.47 1.67 2.07 -0.96 -0.76 116.25 118.01 1upl h VAL 16 Ca 0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1upl h VAL 16 Cb 0.58 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1upl h VAL 16 CO -0.50 0.00 0.29 0.50 0.02 0.00 0.00 177.57 177.88 1upl h LYS 17 N -0.22 0.63 -0.55 1.57 3.64 -0.13 0.66 116.57 122.18 1upl h LYS 17 Ca 0.09 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1upl h LYS 17 Cb 0.35 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 1upl h LYS 17 CO -0.24 0.46 0.08 -0.91 -2.27 0.00 0.00 179.45 176.57 1upl h ASN 18 N 0.62 -0.08 0.22 4.20 2.35 0.27 0.45 115.58 123.62 1upl h ASN 18 Ca 0.17 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1upl h ASN 18 Cb -0.01 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1upl h ASN 18 CO -0.03 -0.02 -0.10 0.25 -1.65 0.00 0.00 177.43 175.88 1upl h LEU 19 N 0.20 -0.25 -0.61 1.61 5.85 0.36 -1.55 115.31 120.92 1upl h LEU 19 Ca 0.28 -0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.92 1upl h LEU 19 Cb 0.41 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.40 1upl h LEU 19 CO -0.39 0.09 -0.09 0.50 -0.34 0.00 0.00 178.44 178.21 1upl h LYS 20 N -0.61 0.04 -0.83 1.25 1.63 0.80 -2.04 116.57 116.81 1upl h LYS 20 Ca -0.03 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1upl h LYS 20 Cb 0.44 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.02 1upl h LYS 20 CO 0.05 0.03 0.53 0.93 -3.45 0.00 0.00 179.45 177.54 1upl h GLU 21 N 0.05 1.11 -1.70 1.90 5.08 0.17 -2.15 114.58 119.04 1upl h GLU 21 Ca 0.30 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1upl h GLU 21 Cb 0.48 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1upl h GLU 21 CO -0.58 0.76 0.00 0.43 -1.00 0.00 0.00 179.01 178.62 1upl n SER 22 N -4.47 0.86 0.00 1.42 7.64 -0.61 -2.22 113.62 116.24 1upl n SER 22 Ca 0.09 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1upl n SER 22 Cb 0.04 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1upl n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1upl n ALA 24 N 0.85 0.00 -0.06 -0.43 0.00 -0.81 -0.91 120.51 119.15 1upl n ALA 24 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1upl n ALA 24 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 1upl n ALA 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1upl h VAL 25 N 0.00 1.28 -0.75 0.00 2.07 -1.74 -3.08 116.25 114.03 1upl h VAL 25 Ca 0.00 -1.73 0.02 0.00 0.82 0.00 0.00 66.70 65.80 1upl h VAL 25 Cb 0.00 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1upl h VAL 25 CO 0.00 0.56 0.50 -0.07 0.02 0.00 0.00 177.57 178.58 1upl h LEU 26 N 0.62 0.84 -3.40 2.57 3.38 -1.31 -3.55 115.31 114.45 1upl h LEU 26 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1upl h LEU 26 Cb 1.13 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1upl h LEU 26 CO 0.12 0.59 0.00 -0.62 0.09 0.00 0.00 178.44 178.62 1upl n GLU 27 N -4.43 0.24 0.00 1.13 1.02 -1.17 -5.16 120.64 112.27 1upl n GLU 27 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1upl n GLU 27 Cb 0.06 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1upl n GLU 27 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1upl n THR 40 N 1.68 0.00 -0.20 2.62 5.66 -1.26 -5.08 114.28 117.70 1upl n THR 40 Ca 0.00 0.00 0.30 0.00 -3.05 0.00 0.00 64.05 61.30 1upl n THR 40 Cb 0.12 0.00 0.72 0.00 -1.55 0.00 0.00 70.33 69.63 1upl n THR 40 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1upl h GLU 41 N 0.00 0.00 -0.18 1.09 4.39 -2.03 0.28 114.58 118.13 1upl h GLU 41 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1upl h GLU 41 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1upl h GLU 41 CO 0.00 0.00 0.05 1.49 -1.16 0.00 0.00 179.01 179.39 1upl h GLU 42 N 0.00 0.28 -0.10 2.33 4.81 -2.04 -2.49 114.58 117.37 1upl h GLU 42 Ca 0.45 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.66 1upl h GLU 42 Cb 1.93 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 31.21 1upl h GLU 42 CO -0.00 0.40 -0.37 0.28 -0.73 0.00 0.00 179.01 178.58 1upl h VAL 43 N 0.11 0.21 -0.96 0.32 2.07 -0.86 -2.71 116.25 114.43 1upl h VAL 43 Ca 0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.71 1upl h VAL 43 Cb 0.24 0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 1upl h VAL 43 CO -0.00 0.00 0.58 0.28 0.02 0.00 0.00 177.57 178.45 1upl h SER 44 N -0.46 0.82 -0.34 0.57 0.02 -1.29 -0.67 113.55 112.20 1upl h SER 44 Ca 0.08 0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1upl h SER 44 Cb 0.60 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1upl h SER 44 CO -0.36 0.40 -0.19 0.11 -1.14 0.00 0.00 176.83 175.64 1upl h LYS 45 N 0.87 0.72 -0.86 3.45 1.57 -1.17 -0.08 116.57 121.07 1upl h LYS 45 Ca 0.50 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1upl h LYS 45 Cb 0.58 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1upl h LYS 45 CO -0.30 0.94 0.56 -0.91 -0.57 0.00 0.00 179.45 179.16 1upl h ASN 46 N 0.50 0.93 -0.74 0.86 -0.26 -1.07 0.40 115.58 116.20 1upl h ASN 46 Ca 0.07 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1upl h ASN 46 Cb 0.74 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.75 1upl h ASN 46 CO 0.06 0.64 0.42 -0.07 -1.06 0.00 0.00 177.43 177.42 1upl h LEU 47 N 1.09 0.91 -0.80 1.61 3.38 -0.60 -2.38 115.31 118.52 1upl h LEU 47 Ca 0.34 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 1upl h LEU 47 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1upl h LEU 47 CO -0.11 0.72 -0.37 0.58 0.09 0.00 0.00 178.44 179.35 1upl h VAL 48 N 1.04 1.30 0.00 1.22 2.07 -0.14 -0.86 116.25 120.88 1upl h VAL 48 Ca 0.27 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1upl h VAL 48 Cb 0.00 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1upl h VAL 48 CO -0.05 0.47 0.00 0.00 0.02 0.00 0.00 177.57 178.01 1upl n ALA 49 N -2.49 1.58 0.00 1.67 0.00 0.05 -1.48 120.51 119.83 1upl n ALA 49 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1upl n ALA 49 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1upl n ALA 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1upl n LYS 51 N 0.75 0.00 -0.02 0.00 4.81 -0.33 -1.37 118.16 122.00 1upl n LYS 51 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1upl n LYS 51 Cb 0.08 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.09 1upl n LYS 51 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1upl h GLU 52 N 0.00 0.20 -0.97 1.64 5.08 -1.54 -0.20 114.58 118.79 1upl h GLU 52 Ca 0.00 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.49 1upl h GLU 52 Cb 0.00 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.12 1upl h GLU 52 CO 0.00 0.17 0.61 0.82 -1.00 0.00 0.00 179.01 179.61 1upl h ILE 53 N 0.18 0.83 0.13 3.13 2.04 -1.50 -2.29 117.51 120.03 1upl h ILE 53 Ca 0.05 -0.29 -0.28 0.00 1.00 0.00 0.00 64.86 65.34 1upl h ILE 53 Cb 0.01 -0.07 0.02 0.00 -0.74 0.00 0.00 36.82 36.04 1upl h ILE 53 CO -0.01 0.15 -1.24 -0.07 0.00 0.00 0.00 178.15 176.98 1upl h LEU 54 N 0.83 0.63 0.00 1.44 3.38 -1.69 -3.43 115.31 116.48 1upl h LEU 54 Ca 0.50 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1upl h LEU 54 Cb 0.69 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1upl h LEU 54 CO -0.27 1.46 -1.28 -1.22 0.09 0.00 0.00 178.44 177.22 1upl n TYR 55 N -3.67 0.18 -0.64 1.13 4.02 -0.14 -4.75 117.16 113.30 1upl n TYR 55 Ca -0.11 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1upl n TYR 55 Cb 1.00 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 1upl n TYR 55 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1upl n LYS 60 N -4.44 0.00 -1.53 -0.72 4.81 -1.26 -3.72 118.16 111.31 1upl n LYS 60 Ca -0.23 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 56.90 1upl n LYS 60 Cb 0.57 -0.21 0.06 0.00 0.02 0.00 0.00 35.03 35.47 1upl n LYS 60 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1upl s GLU 61 N -0.40 2.69 0.02 1.64 2.12 -1.26 -4.99 118.70 118.51 1upl s GLU 61 Ca 0.00 1.13 -0.04 0.00 0.36 0.00 0.00 54.97 56.42 1upl s GLU 61 Cb 0.00 -1.95 -0.01 0.00 0.26 0.00 0.00 34.13 32.43 1upl s GLU 61 CO 0.00 -1.30 0.88 -2.30 -0.54 0.00 0.00 175.26 172.00 1upl n PRO 62 N -3.06 -0.05 -0.09 4.30 -0.02 -1.24 -5.00 135.00 129.83 1upl n PRO 62 Ca 0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1upl n PRO 62 Cb 0.53 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 1upl n PRO 62 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1upl n GLN 63 N -3.15 0.00 -0.33 -0.52 1.13 -1.26 -4.85 117.38 108.40 1upl n GLN 63 Ca 0.00 0.03 0.22 0.00 -1.94 0.00 0.00 57.00 55.31 1upl n GLN 63 Cb 0.03 -0.06 0.43 0.00 0.11 0.00 0.00 30.24 30.75 1upl n GLN 63 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1upl h THR 64 N 0.00 0.09 0.11 5.09 2.02 -1.96 -2.37 112.91 115.88 1upl h THR 64 Ca 0.00 -0.03 -0.31 0.00 0.77 0.00 0.00 66.41 66.85 1upl h THR 64 Cb 0.00 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 1upl h THR 64 CO 0.00 0.01 -1.56 -0.33 0.37 0.00 0.00 175.52 174.01 1upl h GLU 65 N 0.07 0.22 -0.07 6.66 4.39 -1.99 -2.59 114.58 121.27 1upl h GLU 65 Ca 0.70 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 1upl h GLU 65 Cb 1.65 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.44 1upl h GLU 65 CO -0.79 1.07 -0.07 0.00 -1.16 0.00 0.00 179.01 178.06 1upl h ALA 66 N 0.52 1.75 -0.24 3.43 0.00 -1.79 -0.68 119.26 122.24 1upl h ALA 66 Ca -0.25 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 1upl h ALA 66 Cb 2.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1upl h ALA 66 CO 0.15 0.19 -0.61 0.28 0.00 0.00 0.00 179.25 179.26 1upl h VAL 67 N 0.10 1.28 -0.57 0.00 2.07 -1.44 -1.02 116.25 116.67 1upl h VAL 67 Ca 0.02 -1.80 0.05 0.00 0.82 0.00 0.00 66.70 65.79 1upl h VAL 67 Cb 0.19 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1upl h VAL 67 CO 0.01 0.58 0.29 0.00 0.02 0.00 0.00 177.57 178.47 1upl h ALA 68 N 0.68 0.74 -0.31 1.67 0.00 -0.95 -0.92 119.26 120.18 1upl h ALA 68 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1upl h ALA 68 Cb 1.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1upl h ALA 68 CO 0.13 -0.06 -0.00 1.96 0.00 0.00 0.00 179.25 181.28 1upl h GLN 69 N 0.55 0.55 -0.80 0.00 4.20 -0.98 -1.75 115.11 116.88 1upl h GLN 69 Ca 0.26 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1upl h GLN 69 Cb 0.17 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1upl h GLN 69 CO -0.18 0.69 0.43 1.25 -0.67 0.00 0.00 178.83 180.35 1upl h LEU 70 N 0.34 1.01 -1.02 1.46 5.85 -0.81 -1.64 115.31 120.49 1upl h LEU 70 Ca 0.09 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1upl h LEU 70 Cb 0.45 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1upl h LEU 70 CO 0.02 0.83 -0.18 0.00 -0.34 0.00 0.00 178.44 178.76 1upl h ALA 71 N 1.22 1.18 -0.29 1.25 0.00 -0.84 -0.75 119.26 121.03 1upl h ALA 71 Ca 0.28 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1upl h ALA 71 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1upl h ALA 71 CO -0.04 0.52 -0.18 0.37 0.00 0.00 0.00 179.25 179.92 1upl h GLN 72 N 0.45 0.64 -0.71 0.00 5.75 -0.70 -2.22 115.11 118.33 1upl h GLN 72 Ca 0.08 -0.30 -0.06 0.00 -0.15 0.00 0.00 58.65 58.21 1upl h GLN 72 Cb 0.57 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 1upl h GLN 72 CO 0.04 0.89 0.19 0.93 -2.65 0.00 0.00 178.83 178.23 1upl h GLU 73 N 0.39 1.12 -0.26 1.69 4.39 -0.91 -0.77 114.58 120.23 1upl h GLU 73 Ca 0.06 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1upl h GLU 73 Cb 0.72 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1upl h GLU 73 CO 0.05 0.97 0.16 -0.07 -1.16 0.00 0.00 179.01 178.96 1upl h LEU 74 N 1.05 0.27 -0.19 1.33 3.38 -1.03 -0.54 115.31 119.58 1upl h LEU 74 Ca 0.22 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1upl h LEU 74 Cb 0.34 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1upl h LEU 74 CO -0.00 0.20 -0.26 1.88 0.09 0.00 0.00 178.44 180.35 1upl h TYR 75 N 0.33 0.62 -0.78 1.13 0.05 -1.27 -1.29 116.97 115.76 1upl h TYR 75 Ca 0.10 -0.20 0.18 0.00 0.05 0.00 0.00 58.73 58.85 1upl h TYR 75 Cb -0.02 -0.12 -0.12 0.00 1.01 0.00 0.00 36.73 37.48 1upl h TYR 75 CO -0.07 0.90 0.20 -0.91 -1.05 0.00 0.00 178.16 177.24 1upl h ASN 76 N 0.16 0.03 0.00 3.88 4.21 -1.02 -3.12 115.58 119.72 1upl h ASN 76 Ca 0.02 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1upl h ASN 76 Cb 0.83 0.21 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 1upl h ASN 76 CO 0.06 -0.06 -1.07 -1.54 -1.29 0.00 0.00 177.43 173.54 1upl n SER 77 N -5.16 0.83 -0.43 5.81 3.41 -0.22 -4.98 113.62 112.88 1upl n SER 77 Ca 0.16 -0.79 -0.06 0.00 -0.26 0.00 0.00 58.87 57.93 1upl n SER 77 Cb 0.52 1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 65.60 1upl n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1upl n GLY 78 N 1.44 0.79 0.25 5.00 0.00 -0.50 -4.91 105.19 107.26 1upl n GLY 78 Ca 0.02 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1upl n GLY 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1upl h LEU 79 N 0.00 0.00 0.31 0.99 5.85 -1.83 -1.25 115.31 119.37 1upl h LEU 79 Ca -0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1upl h LEU 79 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1upl h LEU 79 CO 0.17 0.16 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.21 1upl h LEU 80 N 0.00 -0.35 -0.53 2.25 4.07 -1.91 0.17 115.31 119.01 1upl h LEU 80 Ca -0.00 -0.16 0.08 0.00 0.08 0.00 0.00 57.88 57.88 1upl h LEU 80 Cb 0.46 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.23 1upl h LEU 80 CO 0.02 -0.02 0.18 0.28 -1.08 0.00 0.00 178.44 177.82 1upl h SER 81 N -0.70 0.17 -0.76 -0.43 0.02 -1.87 -0.50 113.55 109.47 1upl h SER 81 Ca -0.04 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1upl h SER 81 Cb 0.48 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1upl h SER 81 CO 0.07 0.12 0.49 0.74 -1.14 0.00 0.00 176.83 177.11 1upl h THR 82 N 0.36 1.15 0.00 -2.27 2.02 -0.96 0.98 112.91 114.19 1upl h THR 82 Ca 0.26 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1upl h THR 82 Cb 0.30 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1upl h THR 82 CO -0.28 0.18 -0.26 -0.07 0.37 0.00 0.00 175.52 175.47 1upl h LEU 83 N 0.99 0.00 0.02 2.58 3.38 0.85 0.02 115.31 123.16 1upl h LEU 83 Ca 0.29 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.00 1upl h LEU 83 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1upl h LEU 83 CO -0.09 0.26 -1.15 0.58 0.09 0.00 0.00 178.44 178.13 1upl h VAL 84 N 0.00 1.44 0.00 1.22 2.07 0.28 -2.60 116.25 118.67 1upl h VAL 84 Ca -0.00 -2.80 -0.12 0.00 0.82 0.00 0.00 66.70 64.60 1upl h VAL 84 Cb 0.50 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 1upl h VAL 84 CO 0.03 0.82 -0.57 0.00 0.02 0.00 0.00 177.57 177.88 1upl h ALA 85 N 0.60 0.94 -0.22 1.67 0.00 0.90 -3.06 119.26 120.09 1upl h ALA 85 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1upl h ALA 85 Cb 1.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1upl h ALA 85 CO 0.20 0.72 0.00 -0.25 0.00 0.00 0.00 179.25 179.91 1upl n ASP 86 N -3.69 2.95 -0.34 0.00 8.00 -0.34 -4.59 116.55 118.55 1upl n ASP 86 Ca -0.01 -2.40 0.29 0.00 0.71 0.00 0.00 54.79 53.37 1upl n ASP 86 Cb 0.61 -0.30 0.60 0.00 -0.02 0.00 0.00 41.12 42.01 1upl n ASP 86 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1upl h LEU 87 N 1.36 0.29 0.00 0.64 5.85 -1.35 0.15 115.31 122.24 1upl h LEU 87 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1upl h LEU 87 Cb 0.92 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1upl h LEU 87 CO 0.06 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 1upl n GLN 88 N -4.50 0.01 -0.21 1.25 6.02 -1.26 -2.20 117.38 116.48 1upl n GLN 88 Ca 0.27 0.37 0.09 0.00 -0.01 0.00 0.00 57.00 57.72 1upl n GLN 88 Cb 1.07 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 31.04 1upl n GLN 88 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1upl n LEU 89 N -1.49 3.26 -4.38 1.08 4.77 0.52 -4.96 117.00 115.81 1upl n LEU 89 Ca 0.02 -1.73 -0.30 0.00 -0.03 0.00 0.00 56.01 53.97 1upl n LEU 89 Cb 0.08 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 1upl n LEU 89 CO 0.06 0.76 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.71 1upl s ILE 90 N -1.14 2.32 0.99 -0.08 1.01 -0.93 -4.81 121.20 118.56 1upl s ILE 90 Ca 0.34 -1.39 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 1upl s ILE 90 Cb 0.19 -1.94 0.18 0.00 0.01 0.00 0.00 42.46 40.90 1upl s ILE 90 CO 0.25 0.32 1.09 1.51 0.00 0.00 0.00 174.94 178.11 1upl s ASP 91 N -1.40 2.69 0.17 3.58 1.47 -1.26 -4.55 116.67 117.38 1upl s ASP 91 Ca 0.13 1.30 -0.27 0.00 1.18 0.00 0.00 52.55 54.89 1upl s ASP 91 Cb -0.10 -1.98 0.02 0.00 -0.34 0.00 0.00 42.92 40.52 1upl s ASP 91 CO 0.03 -3.10 1.55 0.15 0.68 0.00 0.00 175.17 174.49 1upl h PHE 92 N -1.87 -1.50 -0.48 2.11 3.57 -1.99 0.14 116.94 116.93 1upl h PHE 92 Ca -0.54 0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.15 1upl h PHE 92 Cb 1.32 0.76 -0.07 0.00 2.79 0.00 0.00 35.95 40.74 1upl h PHE 92 CO 0.33 -0.42 0.08 0.93 -2.23 0.00 0.00 178.31 177.00 1upl h GLU 93 N -0.15 0.21 -0.01 1.11 4.39 -2.00 -2.65 114.58 115.48 1upl h GLU 93 Ca 0.18 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1upl h GLU 93 Cb 0.53 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1upl h GLU 93 CO -0.79 0.14 -0.00 0.41 -1.16 0.00 0.00 179.01 177.60 1upl n GLY 94 N -1.28 -2.93 0.32 -3.84 0.00 0.36 -0.98 105.19 96.84 1upl n GLY 94 Ca 0.05 0.56 0.10 0.00 0.00 0.00 0.00 46.02 46.72 1upl n GLY 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upl h LYS 95 N 0.00 0.26 -0.30 1.61 1.57 -0.93 0.34 116.57 119.12 1upl h LYS 95 Ca 0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1upl h LYS 95 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1upl h LYS 95 CO -0.01 0.17 -0.28 -0.22 -0.57 0.00 0.00 179.45 178.55 1upl h LYS 96 N 0.27 0.72 0.00 3.15 3.64 -1.09 -2.84 116.57 120.42 1upl h LYS 96 Ca 0.16 -0.37 -0.07 0.00 -1.27 0.00 0.00 60.65 59.09 1upl h LYS 96 Cb 0.29 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1upl h LYS 96 CO -0.03 0.99 -0.34 -0.44 -2.27 0.00 0.00 179.45 177.35 1upl h ASP 97 N 0.47 0.00 -0.55 4.20 3.32 0.79 -2.93 116.42 121.72 1upl h ASP 97 Ca 0.05 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1upl h ASP 97 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1upl h ASP 97 CO 0.07 0.34 -0.06 0.58 -1.72 0.00 0.00 179.24 178.45 1upl h VAL 98 N 0.00 1.27 0.00 -1.35 2.07 -0.92 -1.75 116.25 115.56 1upl h VAL 98 Ca -0.00 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 1upl h VAL 98 Cb 0.81 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1upl h VAL 98 CO 0.04 0.43 -0.19 0.00 0.02 0.00 0.00 177.57 177.87 1upl h ALA 99 N 0.94 0.92 0.19 1.67 0.00 -1.42 -0.65 119.26 120.91 1upl h ALA 99 Ca 0.15 -0.18 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1upl h ALA 99 Cb 0.62 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1upl h ALA 99 CO 0.04 0.24 -1.46 1.96 0.00 0.00 0.00 179.25 180.03 1upl h GLN 100 N 0.00 0.39 -0.05 0.00 4.20 -1.28 -1.49 115.11 116.89 1upl h GLN 100 Ca -0.00 -0.67 0.03 0.00 0.06 0.00 0.00 58.65 58.07 1upl h GLN 100 Cb 0.95 0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.94 1upl h GLN 100 CO 0.03 1.30 -0.19 0.82 -0.67 0.00 0.00 178.83 180.12 1upl h ILE 101 N 0.11 0.54 0.40 2.54 2.04 -1.29 -1.42 117.51 120.43 1upl h ILE 101 Ca -0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1upl h ILE 101 Cb 2.08 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1upl h ILE 101 CO 0.22 0.00 -0.25 0.15 0.00 0.00 0.00 178.15 178.27 1upl h PHE 102 N -0.28 -0.65 -0.19 1.37 3.04 -1.08 -0.56 116.94 118.59 1upl h PHE 102 Ca 0.07 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.07 1upl h PHE 102 Cb 0.38 0.23 -0.07 0.00 2.56 0.00 0.00 35.95 39.05 1upl h PHE 102 CO -0.26 -0.38 -0.37 -0.97 -2.02 0.00 0.00 178.31 174.31 1upl h ASN 103 N -0.62 -1.16 -0.02 0.41 -1.24 -1.32 -1.49 115.58 110.14 1upl h ASN 103 Ca -0.04 0.17 0.03 0.00 0.71 0.00 0.00 56.30 57.16 1upl h ASN 103 Cb 0.51 0.49 -0.06 0.00 0.73 0.00 0.00 38.32 40.00 1upl h ASN 103 CO 0.04 -0.38 -0.45 -1.13 -1.29 0.00 0.00 177.43 174.23 1upl h ASN 104 N -0.41 -1.37 -0.89 1.15 -0.73 -0.48 0.11 115.58 112.97 1upl h ASN 104 Ca 0.10 0.16 0.20 0.00 1.87 0.00 0.00 56.30 58.64 1upl h ASN 104 Cb 0.58 0.53 -0.11 0.00 0.27 0.00 0.00 38.32 39.59 1upl h ASN 104 CO -0.41 -0.47 0.42 0.40 -0.37 0.00 0.00 177.43 177.00 1upl h ILE 105 N -0.59 0.56 0.00 2.57 1.08 -0.91 0.06 117.51 120.29 1upl h ILE 105 Ca 0.04 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1upl h ILE 105 Cb 0.67 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1upl h ILE 105 CO -0.34 0.09 0.00 -0.11 -0.69 0.00 0.00 178.15 177.10 1upl n LEU 106 N -4.97 0.42 -1.08 1.44 7.94 0.30 -2.01 117.00 119.04 1upl n LEU 106 Ca 0.21 0.61 0.11 0.00 -1.11 0.00 0.00 56.01 55.83 1upl n LEU 106 Cb 0.59 -0.55 0.19 0.00 0.53 0.00 0.00 43.42 44.18 1upl n LEU 106 CO 0.16 -0.46 0.68 0.54 -1.11 0.00 0.00 177.39 177.19 1upl n ARG 107 N -1.97 2.40 -3.76 1.96 5.12 -0.00 -4.90 116.66 115.51 1upl n ARG 107 Ca 0.02 -2.20 -0.32 0.00 -1.93 0.00 0.00 57.85 53.43 1upl n ARG 107 Cb 0.20 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.98 1upl n ARG 107 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1upl s ARG 108 N -1.45 3.56 0.19 5.56 0.52 -0.85 -5.09 118.95 121.38 1upl s ARG 108 Ca 0.36 -0.20 -0.04 0.00 -0.52 0.00 0.00 55.73 55.33 1upl s ARG 108 Cb 0.21 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 1upl s ARG 108 CO 0.30 0.54 0.19 1.14 0.02 0.00 0.00 175.30 177.49 1upl s GLN 109 N -2.46 1.18 -0.64 3.54 -2.07 -1.26 -4.40 119.66 113.55 1upl s GLN 109 Ca 0.37 -1.46 0.05 0.00 -1.82 0.00 0.00 55.36 52.49 1upl s GLN 109 Cb -0.13 0.31 0.16 0.00 -1.09 0.00 0.00 33.01 32.26 1upl s GLN 109 CO 0.24 -0.40 0.43 0.42 -1.32 0.00 0.00 175.29 174.66 1upl s ILE 110 N -4.09 2.69 0.00 3.63 1.01 0.25 -4.99 121.20 119.71 1upl s ILE 110 Ca 0.30 -3.95 0.00 0.00 0.00 0.00 0.00 60.65 57.00 1upl s ILE 110 Cb 0.05 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1upl s ILE 110 CO 0.07 -0.96 0.00 0.61 0.00 0.00 0.00 174.94 174.66 1upl n GLY 111 N 2.31 1.65 0.11 6.18 0.00 -1.26 -2.46 105.19 111.73 1upl n GLY 111 Ca 0.16 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1upl n GLY 111 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1upl h THR 112 N 0.00 0.17 -3.64 2.61 1.35 -2.02 -3.47 112.91 107.90 1upl h THR 112 Ca 0.00 -1.32 -0.51 0.00 -0.55 0.00 0.00 66.41 64.03 1upl h THR 112 Cb 0.00 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1upl h THR 112 CO 0.00 0.09 0.23 -0.13 -0.25 0.00 0.00 175.52 175.47 1upl s ARG 113 N -3.22 4.58 -0.58 4.72 0.52 -1.03 -5.01 118.95 118.93 1upl s ARG 113 Ca -0.01 1.21 0.04 0.00 -0.52 0.00 0.00 55.73 56.45 1upl s ARG 113 Cb 0.09 -3.13 0.15 0.00 0.52 0.00 0.00 34.95 32.58 1upl s ARG 113 CO 0.79 0.49 0.35 0.95 0.02 0.00 0.00 175.30 177.90 1upl s THR 114 N -1.29 2.57 0.29 0.02 -4.23 -1.26 -0.58 115.64 111.16 1upl s THR 114 Ca 0.40 -3.63 0.01 0.00 -1.18 0.00 0.00 61.69 57.29 1upl s THR 114 Cb -0.22 -2.74 0.35 0.00 1.34 0.00 0.00 72.50 71.23 1upl s THR 114 CO 0.26 -0.90 1.61 -0.65 -0.54 0.00 0.00 174.62 174.40 1upl h PRO 115 N 6.06 0.09 -0.45 3.99 0.11 -1.93 0.76 132.00 140.63 1upl h PRO 115 Ca 0.02 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.14 1upl h PRO 115 Cb 0.84 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 1upl h PRO 115 CO 0.68 0.06 0.28 1.15 -0.21 0.00 0.00 178.00 179.95 1upl h THR 116 N 0.09 1.07 -0.93 -1.15 2.02 -1.86 0.69 112.91 112.85 1upl h THR 116 Ca 0.56 -0.19 0.09 0.00 0.77 0.00 0.00 66.41 67.64 1upl h THR 116 Cb 1.15 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 1upl h THR 116 CO -0.78 0.10 0.60 0.58 0.37 0.00 0.00 175.52 176.39 1upl h VAL 117 N 0.56 1.00 -0.27 3.16 2.07 -1.20 0.67 116.25 122.24 1upl h VAL 117 Ca 0.17 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1upl h VAL 117 Cb -0.02 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1upl h VAL 117 CO -0.06 0.18 -0.24 -0.33 0.02 0.00 0.00 177.57 177.13 1upl h GLU 118 N 0.98 0.64 -0.29 1.57 5.08 -0.84 -0.60 114.58 121.12 1upl h GLU 118 Ca 0.42 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1upl h GLU 118 Cb 0.34 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1upl h GLU 118 CO -0.18 0.93 0.14 -0.92 -1.00 0.00 0.00 179.01 177.98 1upl h TYR 119 N 0.37 0.27 0.00 4.33 3.20 0.15 -2.36 116.97 122.92 1upl h TYR 119 Ca 0.05 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1upl h TYR 119 Cb 0.80 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1upl h TYR 119 CO 0.07 0.15 -0.17 0.82 -1.64 0.00 0.00 178.16 177.39 1upl h ILE 120 N 0.30 1.03 -0.21 1.81 2.04 0.50 -2.28 117.51 120.70 1upl h ILE 120 Ca 0.12 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1upl h ILE 120 Cb 0.04 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1upl h ILE 120 CO -0.08 0.17 0.06 0.00 0.00 0.00 0.00 178.15 178.30 1upl n THR 122 N -4.43 0.00 -3.02 0.00 -2.24 -0.88 -4.23 114.28 99.49 1upl n THR 122 Ca 0.00 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 1upl n THR 122 Cb 0.14 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1upl n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1upl n GLN 123 N -0.00 1.30 0.26 -0.78 1.13 -0.27 -4.97 117.38 114.05 1upl n GLN 123 Ca 0.19 -3.52 0.13 0.00 -1.94 0.00 0.00 57.00 51.85 1upl n GLN 123 Cb 0.33 -1.66 0.68 0.00 0.11 0.00 0.00 30.24 29.70 1upl n GLN 123 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1upl h GLN 124 N 2.98 0.00 0.00 -1.09 4.20 -1.71 0.01 115.11 119.50 1upl h GLN 124 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1upl h GLN 124 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1upl h GLN 124 CO 0.54 0.13 0.24 -0.97 -0.67 0.00 0.00 178.83 178.11 1upl h ASN 125 N 0.00 0.00 -0.77 1.46 -1.24 -1.93 1.08 115.58 114.18 1upl h ASN 125 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1upl h ASN 125 Cb 0.43 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.44 1upl h ASN 125 CO 0.02 0.00 0.43 0.40 -1.29 0.00 0.00 177.43 176.99 1upl h ILE 126 N 0.00 1.23 -0.25 2.57 2.04 -1.33 -2.91 117.51 118.86 1upl h ILE 126 Ca 0.00 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 1upl h ILE 126 Cb 0.49 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1upl h ILE 126 CO 0.00 0.25 -0.16 -0.07 0.00 0.00 0.00 178.15 178.18 1upl h LEU 127 N 1.07 0.58 -2.42 1.44 3.38 0.10 -2.28 115.31 117.17 1upl h LEU 127 Ca 0.27 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1upl h LEU 127 Cb 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1upl h LEU 127 CO -0.05 0.88 0.00 0.49 0.09 0.00 0.00 178.44 179.86 1upl n PHE 128 N -4.44 0.00 0.00 1.13 3.72 -1.10 -0.79 117.46 115.99 1upl n PHE 128 Ca -0.04 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 1upl n PHE 128 Cb 0.38 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1upl n PHE 128 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1upl n LEU 130 N 1.06 0.00 -0.15 4.37 4.77 -0.86 0.16 117.00 126.35 1upl n LEU 130 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1upl n LEU 130 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1upl n LEU 130 CO 0.00 0.00 0.66 0.25 -1.33 0.00 0.00 177.39 176.97 1upl h LEU 131 N 0.00 -0.99 -2.21 2.23 6.46 -1.24 0.74 115.31 120.30 1upl h LEU 131 Ca 0.00 0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1upl h LEU 131 Cb 0.00 0.49 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1upl h LEU 131 CO 0.00 -0.29 -0.06 0.50 -0.62 0.00 0.00 178.44 177.97 1upl h LYS 132 N -0.19 0.00 -1.38 1.25 1.63 -0.54 -2.44 116.57 114.90 1upl h LYS 132 Ca 0.20 0.00 0.41 0.00 -0.85 0.00 0.00 60.65 60.41 1upl h LYS 132 Cb 0.52 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.07 1upl h LYS 132 CO -0.58 0.06 0.95 0.78 -3.45 0.00 0.00 179.45 177.21 1upl h GLY 133 N 0.56 0.57 2.00 5.01 0.00 -1.07 -1.95 103.07 108.19 1upl h GLY 133 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1upl h GLY 133 CO 0.01 -0.14 0.00 -1.72 0.00 0.00 0.00 176.54 174.69 1upl n TYR 134 N -4.35 0.13 1.20 5.60 4.02 -0.92 -0.95 117.16 121.90 1upl n TYR 134 Ca 0.33 0.07 0.13 0.00 -0.01 0.00 0.00 57.90 58.41 1upl n TYR 134 Cb 1.41 -0.61 0.26 0.00 -0.02 0.00 0.00 39.34 40.39 1upl n TYR 134 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1upl n GLU 135 N -1.63 1.55 -3.88 -0.72 1.02 -0.73 -4.70 120.64 111.55 1upl n GLU 135 Ca -0.00 -1.12 -0.34 0.00 -0.02 0.00 0.00 57.16 55.68 1upl n GLU 135 Cb 0.01 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 29.83 1upl n GLU 135 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1upl s SER 136 N -2.22 5.00 0.54 1.62 0.01 -0.12 -4.95 113.70 113.58 1upl s SER 136 Ca 0.28 -2.20 0.41 0.00 1.31 0.00 0.00 55.95 55.75 1upl s SER 136 Cb 0.20 -1.74 1.60 0.00 0.21 0.00 0.00 66.02 66.29 1upl s SER 136 CO 0.42 -0.45 1.72 -0.65 0.41 0.00 0.00 173.24 174.69 1upl h PRO 137 N 7.70 0.01 0.00 12.44 0.11 -1.84 1.18 132.00 151.61 1upl h PRO 137 Ca -0.08 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 1upl h PRO 137 Cb 1.02 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1upl h PRO 137 CO 0.63 0.01 -0.28 0.93 -0.21 0.00 0.00 178.00 179.08 1upl h GLU 138 N 0.01 0.00 0.00 1.05 3.07 -1.92 -3.28 114.58 113.52 1upl h GLU 138 Ca 0.70 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 1upl h GLU 138 Cb 2.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.69 1upl h GLU 138 CO -0.03 0.28 0.00 0.44 -1.40 0.00 0.00 179.01 178.30 1upl n ILE 139 N -3.53 0.15 -0.14 3.13 -5.35 0.24 -4.88 119.36 108.98 1upl n ILE 139 Ca -0.00 -0.31 -0.04 0.00 -0.27 0.00 0.00 62.75 62.12 1upl n ILE 139 Cb 0.43 1.29 0.02 0.00 -1.74 0.00 0.00 39.64 39.64 1upl n ILE 139 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1upl h ALA 140 N 0.00 0.20 -0.38 -1.28 0.00 0.95 -0.70 119.26 118.05 1upl h ALA 140 Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1upl h ALA 140 Cb 0.42 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1upl h ALA 140 CO 0.00 -0.51 -0.28 -0.07 0.00 0.00 0.00 179.25 178.40 1upl h LEU 141 N -0.07 0.91 -1.75 0.00 3.38 -1.85 -0.34 115.31 115.59 1upl h LEU 141 Ca 0.22 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1upl h LEU 141 Cb 0.40 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1upl h LEU 141 CO -0.50 1.15 0.24 0.78 0.09 0.00 0.00 178.44 180.21 1upl h ASN 142 N 0.67 0.28 -0.06 -0.43 2.35 -1.81 -2.14 115.58 114.43 1upl h ASN 142 Ca 0.07 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 1upl h ASN 142 Cb 0.85 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 39.17 1upl h ASN 142 CO 0.07 0.19 -0.44 0.00 -1.65 0.00 0.00 177.43 175.60 1upl h GLY 144 N -0.07 0.85 -0.95 0.00 0.00 -0.71 -1.05 103.07 101.13 1upl h GLY 144 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1upl h GLY 144 CO 0.09 0.01 0.00 1.39 0.00 0.00 0.00 176.54 178.03 1upl n ILE 145 N -4.97 0.00 0.00 2.60 5.41 -0.84 -0.07 119.36 121.49 1upl n ILE 145 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1upl n ILE 145 Cb 0.25 -0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 1upl n ILE 145 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1upl n LEU 147 N 0.44 0.00 0.01 1.39 0.00 -0.40 -2.27 117.00 116.17 1upl n LEU 147 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 1upl n LEU 147 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 43.42 43.68 1upl n LEU 147 CO 0.00 0.00 0.85 0.03 0.00 0.00 0.00 177.39 178.27 1upl h ARG 148 N 0.00 0.49 -0.26 1.96 3.08 -0.72 0.65 114.38 119.58 1upl h ARG 148 Ca 0.00 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 1upl h ARG 148 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1upl h ARG 148 CO 0.00 0.60 -0.08 0.93 -1.07 0.00 0.00 179.97 180.35 1upl h GLU 149 N 0.46 0.42 -0.27 0.04 4.39 -1.69 -2.92 114.58 115.00 1upl h GLU 149 Ca 0.09 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 1upl h GLU 149 Cb 0.47 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1upl h GLU 149 CO 0.03 0.51 -0.12 0.00 -1.16 0.00 0.00 179.01 178.27 1upl h ILE 151 N 0.30 0.70 -0.99 0.00 1.08 -0.72 -1.04 117.51 116.84 1upl h ILE 151 Ca 0.06 -0.01 0.19 0.00 -0.39 0.00 0.00 64.86 64.70 1upl h ILE 151 Cb 0.63 0.66 -0.10 0.00 -3.07 0.00 0.00 36.82 34.94 1upl h ILE 151 CO 0.04 0.01 0.61 0.03 -0.69 0.00 0.00 178.15 178.15 1upl h ARG 152 N 0.04 0.72 -5.87 2.37 3.08 -1.43 -3.40 114.38 109.88 1upl h ARG 152 Ca 0.30 -0.04 -0.58 0.00 0.07 0.00 0.00 59.98 59.73 1upl h ARG 152 Cb 1.14 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.95 1upl h ARG 152 CO -0.02 0.47 0.24 -1.01 -1.07 0.00 0.00 179.97 178.59 1upl s HIS 153 N -5.80 3.44 0.16 3.04 3.76 -0.39 -4.96 115.29 114.53 1upl s HIS 153 Ca -0.11 1.15 -0.19 0.00 -0.15 0.00 0.00 55.06 55.76 1upl s HIS 153 Cb 0.24 -2.90 0.08 0.00 1.11 0.00 0.00 32.58 31.11 1upl s HIS 153 CO 0.80 -0.15 1.65 1.49 -0.85 0.00 0.00 174.74 177.68 1upl h GLU 154 N 7.26 -0.09 -0.86 1.40 4.81 -1.86 -1.48 114.58 123.76 1upl h GLU 154 Ca -0.32 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1upl h GLU 154 Cb 1.15 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.48 1upl h GLU 154 CO 0.80 -0.06 0.56 -1.35 -0.73 0.00 0.00 179.01 178.23 1upl h PRO 155 N -0.09 0.71 0.02 0.92 0.11 -1.94 0.18 132.00 131.91 1upl h PRO 155 Ca 0.18 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 66.01 1upl h PRO 155 Cb 0.37 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.33 1upl h PRO 155 CO -0.42 0.47 -1.00 -0.07 -0.21 0.00 0.00 178.00 176.76 1upl h LEU 156 N 0.73 0.59 -1.03 2.35 3.38 -1.58 -2.74 115.31 117.01 1upl h LEU 156 Ca 0.42 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1upl h LEU 156 Cb 0.60 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1upl h LEU 156 CO -0.18 1.30 0.65 0.00 0.09 0.00 0.00 178.44 180.30 1upl h ALA 157 N 0.66 1.34 -0.65 1.53 0.00 -0.36 -2.55 119.26 119.24 1upl h ALA 157 Ca -0.10 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1upl h ALA 157 Cb 1.65 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1upl h ALA 157 CO 0.18 0.57 0.08 -0.22 0.00 0.00 0.00 179.25 179.86 1upl h LYS 158 N 1.27 1.08 -0.23 0.00 3.64 -0.44 0.12 116.57 122.02 1upl h LYS 158 Ca 0.39 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1upl h LYS 158 Cb -0.03 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1upl h LYS 158 CO -0.11 1.01 0.04 0.82 -2.27 0.00 0.00 179.45 178.94 1upl h ILE 159 N 1.01 1.22 -0.34 2.00 2.04 -1.20 -0.65 117.51 121.58 1upl h ILE 159 Ca 0.19 -0.73 -0.11 0.00 1.00 0.00 0.00 64.86 65.22 1upl h ILE 159 Cb 0.47 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1upl h ILE 159 CO 0.02 0.23 -0.20 0.40 0.00 0.00 0.00 178.15 178.60 1upl h ILE 160 N 0.19 1.29 -0.12 -0.67 2.04 -1.26 -3.02 117.51 115.95 1upl h ILE 160 Ca 0.07 -1.33 -0.10 0.00 1.00 0.00 0.00 64.86 64.50 1upl h ILE 160 Cb 0.31 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1upl h ILE 160 CO 0.00 0.44 -0.37 0.25 0.00 0.00 0.00 178.15 178.47 1upl h LEU 161 N 0.52 0.27 -0.47 1.44 5.85 -0.28 0.32 115.31 122.96 1upl h LEU 161 Ca 0.07 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1upl h LEU 161 Cb 0.75 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1upl h LEU 161 CO 0.06 0.62 0.00 0.79 -0.34 0.00 0.00 178.44 179.57 1upl n TRP 162 N -4.06 0.09 -2.16 1.25 8.01 -0.29 -4.88 117.44 115.40 1upl n TRP 162 Ca -0.01 -0.04 -0.32 0.00 -1.31 0.00 0.00 57.50 55.81 1upl n TRP 162 Cb 0.45 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.74 1upl n TRP 162 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1upl s SER 163 N -1.58 6.09 0.45 -0.99 0.15 0.10 -4.91 113.70 113.02 1upl s SER 163 Ca 0.30 1.71 0.25 0.00 0.70 0.00 0.00 55.95 58.91 1upl s SER 163 Cb 0.15 -2.52 0.96 0.00 -1.71 0.00 0.00 66.02 62.90 1upl s SER 163 CO 0.23 -0.96 1.84 -0.08 1.20 0.00 0.00 173.24 175.48 1upl h GLU 164 N 0.56 0.00 0.00 5.44 4.57 -1.91 -2.65 114.58 120.59 1upl h GLU 164 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1upl h GLU 164 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1upl h GLU 164 CO 0.59 0.20 0.00 1.04 -1.18 0.00 0.00 179.01 179.66 1upl n GLN 165 N -3.36 0.25 -0.26 1.92 3.00 -1.26 -2.47 117.38 115.20 1upl n GLN 165 Ca 0.00 0.05 0.07 0.00 -0.01 0.00 0.00 57.00 57.12 1upl n GLN 165 Cb 0.42 -1.50 0.31 0.00 0.00 0.00 0.00 30.24 29.47 1upl n GLN 165 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1upl h PHE 166 N 0.00 0.90 0.00 1.08 3.57 -1.64 -0.53 116.94 120.32 1upl h PHE 166 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1upl h PHE 166 Cb 0.30 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1upl h PHE 166 CO 0.00 0.43 0.00 0.66 -2.23 0.00 0.00 178.31 177.17 1upl n TYR 167 N -4.51 0.00 0.11 0.41 4.01 -1.03 -2.30 117.16 113.84 1upl n TYR 167 Ca 0.14 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.84 1upl n TYR 167 Cb 0.30 -0.15 0.12 0.00 -0.31 0.00 0.00 39.34 39.29 1upl n TYR 167 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1upl h ASP 168 N 0.00 0.14 -1.08 7.72 3.32 -1.28 -2.81 116.42 122.43 1upl h ASP 168 Ca 0.00 -0.09 0.35 0.00 0.02 0.00 0.00 57.03 57.31 1upl h ASP 168 Cb 0.10 -0.04 -0.14 0.00 0.22 0.00 0.00 39.33 39.47 1upl h ASP 168 CO 0.00 0.75 0.64 -0.26 -1.72 0.00 0.00 179.24 178.65 1upl h PHE 169 N 0.09 0.80 0.00 4.55 0.04 -1.61 0.28 116.94 121.10 1upl h PHE 169 Ca -0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1upl h PHE 169 Cb 1.16 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1upl h PHE 169 CO 0.01 -0.19 0.00 0.74 -0.60 0.00 0.00 178.31 178.27 1upl h PHE 170 N 0.24 0.00 0.03 -0.55 0.04 -1.70 -0.48 116.94 114.52 1upl h PHE 170 Ca 0.75 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 61.17 1upl h PHE 170 Cb 1.92 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 40.03 1upl h PHE 170 CO -0.01 0.00 -1.99 -2.13 -0.60 0.00 0.00 178.31 173.58 1upl n ARG 171 N -2.67 0.64 -0.18 1.51 0.63 0.87 -3.85 116.66 113.62 1upl n ARG 171 Ca -0.01 0.34 -0.01 0.00 -0.92 0.00 0.00 57.85 57.26 1upl n ARG 171 Cb 0.15 -1.63 0.08 0.00 0.45 0.00 0.00 32.46 31.51 1upl n ARG 171 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1upl h TYR 172 N -0.53 -0.01 -0.06 -0.14 0.05 -0.34 -1.34 116.97 114.60 1upl h TYR 172 Ca -0.50 0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.20 1upl h TYR 172 Cb 1.68 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 39.50 1upl h TYR 172 CO 0.04 -0.12 -0.49 -0.39 -1.05 0.00 0.00 178.16 176.14 1upl h VAL 173 N 0.13 1.35 -4.22 -2.88 -1.51 -1.33 -3.37 116.25 104.43 1upl h VAL 173 Ca 0.28 -1.71 -0.51 0.00 -1.23 0.00 0.00 66.70 63.52 1upl h VAL 173 Cb 0.43 1.85 0.12 0.00 -2.13 0.00 0.00 31.29 31.56 1upl h VAL 173 CO -0.45 0.50 0.36 -1.61 -1.23 0.00 0.00 177.57 175.14 1upl s GLU 174 N -3.95 2.56 -0.27 5.19 2.02 -0.51 -4.79 118.70 118.96 1upl s GLU 174 Ca -0.03 1.42 0.12 0.00 0.02 0.00 0.00 54.97 56.49 1upl s GLU 174 Cb 0.13 -1.92 0.47 0.00 0.10 0.00 0.00 34.13 32.91 1upl s GLU 174 CO 0.77 -1.44 1.17 -1.13 0.02 0.00 0.00 175.26 174.65 1upl n SER 176 N -2.69 3.71 -3.03 -0.19 3.41 -1.26 -4.53 113.62 109.04 1upl n SER 176 Ca 0.11 -3.23 -0.32 0.00 -0.26 0.00 0.00 58.87 55.16 1upl n SER 176 Cb 0.52 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1upl n SER 176 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1upl n THR 177 N -0.67 3.81 0.00 6.66 -1.04 -1.26 -4.97 114.28 116.81 1upl n THR 177 Ca 0.31 -5.40 0.00 0.00 -2.04 0.00 0.00 64.05 56.93 1upl n THR 177 Cb 0.91 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1upl n THR 177 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1upl n PHE 178 N -0.28 0.00 0.02 -1.42 3.72 -1.26 0.95 117.46 119.18 1upl n PHE 178 Ca 0.40 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.61 1upl n PHE 178 Cb 0.39 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 1upl n PHE 178 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1upl h ASP 179 N 0.00 0.87 0.05 4.37 2.03 -1.99 -2.59 116.42 119.15 1upl h ASP 179 Ca 0.00 -0.72 -0.00 0.00 -0.73 0.00 0.00 57.03 55.58 1upl h ASP 179 Cb 0.00 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.24 1upl h ASP 179 CO 0.00 1.46 -0.02 0.40 -1.03 0.00 0.00 179.24 180.05 1upl h ILE 180 N 0.35 1.23 -0.55 4.15 1.08 0.18 -3.12 117.51 120.84 1upl h ILE 180 Ca -0.10 -0.95 0.11 0.00 -0.39 0.00 0.00 64.86 63.53 1upl h ILE 180 Cb 1.57 1.86 -0.09 0.00 -3.07 0.00 0.00 36.82 37.09 1upl h ILE 180 CO 0.18 0.24 0.01 0.00 -0.69 0.00 0.00 178.15 177.89 1upl h ALA 181 N 0.44 0.54 0.00 1.87 0.00 -1.59 0.44 119.26 120.96 1upl h ALA 181 Ca -0.01 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1upl h ALA 181 Cb 0.43 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1upl h ALA 181 CO 0.01 -0.38 -0.15 0.77 0.00 0.00 0.00 179.25 179.49 1upl h SER 182 N 0.13 0.00 0.18 0.00 0.02 -1.55 0.30 113.55 112.64 1upl h SER 182 Ca 0.28 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.95 1upl h SER 182 Cb 0.43 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.99 1upl h SER 182 CO -0.45 0.15 -1.32 -0.78 -1.14 0.00 0.00 176.83 173.29 1upl h ASP 183 N 0.00 0.60 -0.61 3.07 3.58 -0.93 -1.67 116.42 120.46 1upl h ASP 183 Ca -0.00 -0.92 0.08 0.00 0.42 0.00 0.00 57.03 56.61 1upl h ASP 183 Cb 0.32 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.11 1upl h ASP 183 CO 0.02 1.61 0.26 0.00 -2.88 0.00 0.00 179.24 178.26 1upl h ALA 184 N 0.08 0.79 -0.43 -0.78 0.00 -0.73 -2.05 119.26 116.15 1upl h ALA 184 Ca -0.25 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1upl h ALA 184 Cb 1.92 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1upl h ALA 184 CO 0.18 -0.14 0.20 0.35 0.00 0.00 0.00 179.25 179.85 1upl h PHE 185 N 0.47 0.58 -0.41 0.00 3.04 -0.26 0.19 116.94 120.54 1upl h PHE 185 Ca 0.30 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 62.13 1upl h PHE 185 Cb 0.31 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 1upl h PHE 185 CO -0.14 0.43 -0.16 0.00 -2.02 0.00 0.00 178.31 176.42 1upl h ALA 186 N 1.63 0.94 -0.25 2.41 0.00 -0.60 0.24 119.26 123.63 1upl h ALA 186 Ca 0.15 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 1upl h ALA 186 Cb 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1upl h ALA 186 CO -0.02 0.61 -0.62 1.15 0.00 0.00 0.00 179.25 180.37 1upl h THR 187 N 0.69 1.27 0.59 0.00 2.02 -0.61 -0.47 112.91 116.40 1upl h THR 187 Ca 0.11 -1.81 -0.02 0.00 0.77 0.00 0.00 66.41 65.46 1upl h THR 187 Cb 0.66 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1upl h THR 187 CO 0.05 0.59 -0.44 0.15 0.37 0.00 0.00 175.52 176.23 1upl h PHE 188 N 0.64 -1.20 -0.80 3.16 3.57 -0.43 -1.02 116.94 120.85 1upl h PHE 188 Ca -0.01 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.66 1upl h PHE 188 Cb 1.24 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 40.37 1upl h PHE 188 CO 0.08 -0.63 0.54 -0.22 -2.23 0.00 0.00 178.31 175.85 1upl h LYS 189 N -0.99 0.35 -0.06 1.11 3.64 -0.47 0.19 116.57 120.33 1upl h LYS 189 Ca -0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1upl h LYS 189 Cb 0.82 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1upl h LYS 189 CO 0.03 0.23 -0.00 0.22 -2.27 0.00 0.00 179.45 177.66 1upl h ASP 190 N 0.36 0.12 -0.53 4.20 1.82 -0.82 -2.92 116.42 118.65 1upl h ASP 190 Ca 0.40 -0.32 0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1upl h ASP 190 Cb 1.02 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.96 1upl h ASP 190 CO -0.13 0.41 0.30 -0.07 -1.61 0.00 0.00 179.24 178.15 1upl h LEU 191 N -0.18 0.48 -0.32 2.28 3.38 0.39 -0.32 115.31 121.02 1upl h LEU 191 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1upl h LEU 191 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1upl h LEU 191 CO 0.00 0.33 0.00 0.18 0.09 0.00 0.00 178.44 179.05 1upl n LEU 192 N -4.81 0.30 0.00 1.67 4.77 -0.86 -4.17 117.00 113.89 1upl n LEU 192 Ca 0.04 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1upl n LEU 192 Cb 0.10 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1upl n LEU 192 CO 0.31 -0.40 -0.10 0.35 -1.33 0.00 0.00 177.39 176.22 1upl n THR 193 N -1.83 0.00 -0.03 -5.08 -2.24 -0.90 -4.80 114.28 99.39 1upl n THR 193 Ca 0.03 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1upl n THR 193 Cb 0.19 0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 1upl n THR 193 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1upl h ARG 194 N 0.00 0.05 -4.22 -0.78 2.43 -1.24 -3.40 114.38 107.22 1upl h ARG 194 Ca 0.00 -0.04 -0.72 0.00 -0.81 0.00 0.00 59.98 58.41 1upl h ARG 194 Cb 0.00 0.01 -0.31 0.00 -0.42 0.00 0.00 29.97 29.24 1upl h ARG 194 CO 0.00 0.71 -0.40 -1.01 -1.51 0.00 0.00 179.97 177.76 1upl s HIS 195 N -3.52 3.49 0.08 2.20 3.76 -1.26 -5.01 115.29 115.03 1upl s HIS 195 Ca -0.17 -2.15 -0.21 0.00 -0.15 0.00 0.00 55.06 52.38 1upl s HIS 195 Cb 0.00 -3.40 -0.11 0.00 1.11 0.00 0.00 32.58 30.18 1upl s HIS 195 CO 0.69 -0.97 1.62 0.87 -0.85 0.00 0.00 174.74 176.10 1upl h LYS 196 N 8.11 0.21 -0.44 1.40 1.79 -1.91 -0.93 116.57 124.79 1upl h LYS 196 Ca -0.14 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.31 1upl h LYS 196 Cb 1.05 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.63 1upl h LYS 196 CO 0.79 0.31 0.25 -0.07 -1.08 0.00 0.00 179.45 179.65 1upl h LEU 197 N 0.07 0.39 -0.15 2.94 3.38 -1.96 0.17 115.31 120.15 1upl h LEU 197 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1upl h LEU 197 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1upl h LEU 197 CO -0.00 0.28 0.05 0.25 0.09 0.00 0.00 178.44 179.10 1upl h LEU 198 N 0.50 0.22 -1.07 1.67 5.85 -1.93 0.65 115.31 121.20 1upl h LEU 198 Ca 0.18 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1upl h LEU 198 Cb 0.04 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 1upl h LEU 198 CO -0.10 0.36 0.62 -1.28 -0.34 0.00 0.00 178.44 177.71 1upl h SER 199 N 0.06 0.92 0.20 1.25 0.87 -0.88 -0.65 113.55 115.33 1upl h SER 199 Ca 0.05 0.03 -0.21 0.00 -1.23 0.00 0.00 61.79 60.42 1upl h SER 199 Cb 0.22 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1upl h SER 199 CO -0.00 0.54 -0.85 0.00 -0.53 0.00 0.00 176.83 175.98 1upl h ALA 200 N 1.52 0.42 0.08 6.23 0.00 0.30 -2.17 119.26 125.64 1upl h ALA 200 Ca 0.46 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1upl h ALA 200 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1upl h ALA 200 CO -0.21 0.77 -0.04 0.93 0.00 0.00 0.00 179.25 180.69 1upl h GLU 201 N 0.31 -0.10 -0.94 0.00 5.08 -0.01 0.06 114.58 118.99 1upl h GLU 201 Ca -0.06 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1upl h GLU 201 Cb 1.46 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.62 1upl h GLU 201 CO 0.15 0.01 -0.55 0.34 -1.00 0.00 0.00 179.01 177.96 1upl n PHE 202 N -5.10 -0.41 -0.20 4.33 7.35 -0.34 -1.06 117.46 122.03 1upl n PHE 202 Ca -0.08 1.17 -0.03 0.00 -0.76 0.00 0.00 57.45 57.75 1upl n PHE 202 Cb 0.10 -0.57 0.16 0.00 0.35 0.00 0.00 39.48 39.52 1upl n PHE 202 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1upl h LEU 203 N 0.00 0.91 -2.00 -2.13 3.38 -1.22 -0.39 115.31 113.86 1upl h LEU 203 Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1upl h LEU 203 Cb 0.38 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1upl h LEU 203 CO -0.88 0.81 -0.10 -0.33 0.09 0.00 0.00 178.44 178.03 1upl h GLU 204 N 0.97 0.00 0.00 1.13 5.08 0.70 -2.28 114.58 120.18 1upl h GLU 204 Ca 0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1upl h GLU 204 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1upl h GLU 204 CO -0.02 0.10 -2.04 1.04 -1.00 0.00 0.00 179.01 177.09 1upl n GLN 205 N -3.68 0.66 -0.01 2.33 6.02 -0.48 -4.38 117.38 117.84 1upl n GLN 205 Ca -0.02 -0.18 0.01 0.00 -0.01 0.00 0.00 57.00 56.80 1upl n GLN 205 Cb 0.21 -1.52 0.02 0.00 1.02 0.00 0.00 30.24 29.97 1upl n GLN 205 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1upl n HIS 206 N -2.31 0.00 -0.17 1.08 8.25 -0.28 -4.88 115.22 116.91 1upl n HIS 206 Ca -0.07 -0.54 -0.04 0.00 -0.26 0.00 0.00 57.72 56.81 1upl n HIS 206 Cb 0.63 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.64 1upl n HIS 206 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1upl n TYR 207 N -0.60 -0.18 0.37 4.41 4.19 -0.87 -0.69 117.16 123.79 1upl n TYR 207 Ca 0.02 0.50 -0.18 0.00 3.31 0.00 0.00 57.90 61.55 1upl n TYR 207 Cb 0.32 -0.46 -0.09 0.00 0.49 0.00 0.00 39.34 39.60 1upl n TYR 207 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 1upl h ASP 208 N 0.00 -0.76 -0.30 2.98 3.32 -1.89 0.28 116.42 120.05 1upl h ASP 208 Ca 0.06 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.20 1upl h ASP 208 Cb 0.16 0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.83 1upl h ASP 208 CO -0.37 -0.54 -0.26 -0.09 -1.72 0.00 0.00 179.24 176.26 1upl h ARG 209 N -0.91 -0.23 -0.20 3.56 9.65 -1.87 1.13 114.38 125.51 1upl h ARG 209 Ca -0.09 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 1upl h ARG 209 Cb 0.69 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 1upl h ARG 209 CO 0.15 -0.15 0.06 0.35 2.80 0.00 0.00 179.97 183.18 1upl h PHE 210 N -0.24 0.32 0.00 2.20 3.57 -0.54 0.18 116.94 122.43 1upl h PHE 210 Ca 0.15 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1upl h PHE 210 Cb 0.48 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1upl h PHE 210 CO -0.43 0.40 0.00 0.74 -2.23 0.00 0.00 178.31 176.79 1upl h PHE 211 N 0.15 0.00 0.03 0.41 0.04 -0.04 0.07 116.94 117.60 1upl h PHE 211 Ca 0.06 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.61 1upl h PHE 211 Cb 0.23 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1upl h PHE 211 CO 0.00 0.00 -1.01 1.03 -0.60 0.00 0.00 178.31 177.73 1upl h SER 212 N 0.00 0.17 0.21 2.17 0.87 0.29 -3.00 113.55 114.26 1upl h SER 212 Ca 0.00 -0.17 -0.16 0.00 -1.23 0.00 0.00 61.79 60.23 1upl h SER 212 Cb 0.56 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1upl h SER 212 CO 0.00 1.07 -0.63 -0.33 -0.53 0.00 0.00 176.83 176.41 1upl h GLU 213 N 0.05 0.41 0.00 2.24 4.39 0.47 -3.31 114.58 118.83 1upl h GLU 213 Ca -0.05 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.25 1upl h GLU 213 Cb 1.72 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.40 1upl h GLU 213 CO 0.15 0.91 -0.51 -0.92 -1.16 0.00 0.00 179.01 177.48 1upl h TYR 214 N 0.30 0.00 -0.32 4.33 5.03 -0.96 -2.74 116.97 122.61 1upl h TYR 214 Ca -0.01 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1upl h TYR 214 Cb 1.18 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.44 1upl h TYR 214 CO 0.04 0.51 0.16 1.49 -1.32 0.00 0.00 178.16 179.04 1upl h GLU 215 N 0.00 0.43 -0.13 1.82 4.81 -1.61 -2.65 114.58 117.24 1upl h GLU 215 Ca -0.01 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1upl h GLU 215 Cb 1.04 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1upl h GLU 215 CO 0.07 0.32 -0.39 0.87 -0.73 0.00 0.00 179.01 179.15 1upl h LYS 216 N 0.43 0.28 0.00 1.92 1.57 -1.66 -2.27 116.57 116.84 1upl h LYS 216 Ca 0.11 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1upl h LYS 216 Cb 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1upl h LYS 216 CO -0.02 0.63 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.17 1upl h LEU 217 N 0.23 0.00 -0.13 2.94 3.38 -1.57 -1.78 115.31 118.39 1upl h LEU 217 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1upl h LEU 217 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1upl h LEU 217 CO 0.06 0.25 -0.03 0.18 0.09 0.00 0.00 178.44 178.99 1upl n LEU 218 N -3.74 0.24 -0.63 1.67 4.77 -0.86 -2.99 117.00 115.47 1upl n LEU 218 Ca -0.01 0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.09 1upl n LEU 218 Cb 0.35 -0.14 0.17 0.00 -2.33 0.00 0.00 43.42 41.47 1upl n LEU 218 CO 0.34 0.04 0.35 1.41 -1.33 0.00 0.00 177.39 178.21 1upl n HIS 219 N -1.00 0.00 -2.90 -1.77 8.25 -0.68 -5.02 115.22 112.10 1upl n HIS 219 Ca 0.18 -1.28 -0.36 0.00 -0.26 0.00 0.00 57.72 56.00 1upl n HIS 219 Cb 0.22 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.04 1upl n HIS 219 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1upl s SER 220 N -3.00 7.15 0.05 0.41 0.15 -1.12 -4.96 113.70 112.39 1upl s SER 220 Ca 0.36 1.66 0.28 0.00 0.70 0.00 0.00 55.95 58.95 1upl s SER 220 Cb 0.35 -2.51 1.08 0.00 -1.71 0.00 0.00 66.02 63.22 1upl s SER 220 CO -0.07 -0.11 1.85 -0.62 1.20 0.00 0.00 173.24 175.50 1upl n GLU 221 N 0.30 0.07 -2.64 5.44 -0.58 -1.26 -4.41 120.64 117.56 1upl n GLU 221 Ca 0.02 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.40 1upl n GLU 221 Cb 0.51 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.77 1upl n GLU 221 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1upl s ASN 222 N -3.39 6.20 0.47 1.62 3.84 -1.26 -4.86 114.94 117.55 1upl s ASN 222 Ca 0.13 -0.53 0.27 0.00 0.21 0.00 0.00 52.86 52.94 1upl s ASN 222 Cb 0.17 -2.52 0.89 0.00 -0.55 0.00 0.00 41.25 39.25 1upl s ASN 222 CO 0.56 -1.69 1.81 0.10 -2.79 0.00 0.00 177.10 175.09 1upl h TYR 223 N 9.85 0.00 -0.37 0.43 -0.00 -1.97 -0.94 116.97 123.96 1upl h TYR 223 Ca -0.28 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.40 1upl h TYR 223 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.77 1upl h TYR 223 CO 1.07 0.12 0.04 0.28 -0.00 0.00 0.00 178.16 179.67 1upl h VAL 224 N 0.00 1.24 -0.31 -0.90 2.07 -1.95 -1.69 116.25 114.72 1upl h VAL 224 Ca -0.00 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 1upl h VAL 224 Cb 0.77 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1upl h VAL 224 CO 0.02 0.30 -0.09 0.74 0.02 0.00 0.00 177.57 178.55 1upl h THR 225 N 0.46 1.28 -0.78 2.57 2.02 -1.78 -0.36 112.91 116.32 1upl h THR 225 Ca 0.11 -1.15 0.04 0.00 0.77 0.00 0.00 66.41 66.18 1upl h THR 225 Cb 0.39 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1upl h THR 225 CO 0.01 0.37 0.48 0.50 0.37 0.00 0.00 175.52 177.25 1upl h LYS 226 N 0.38 0.89 0.11 6.66 3.64 -1.11 0.27 116.57 127.40 1upl h LYS 226 Ca 0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1upl h LYS 226 Cb 0.59 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1upl h LYS 226 CO 0.03 0.59 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.66 1upl h ARG 227 N 0.92 -0.14 0.00 1.90 2.43 -1.02 -2.23 114.38 116.24 1upl h ARG 227 Ca 0.32 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1upl h ARG 227 Cb 0.08 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1upl h ARG 227 CO -0.14 0.14 -0.19 1.96 -1.51 0.00 0.00 179.97 180.23 1upl h GLN 228 N -0.41 0.00 -0.49 0.20 1.08 -0.65 -1.39 115.11 113.46 1upl h GLN 228 Ca -0.01 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 1upl h GLN 228 Cb 0.34 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1upl h GLN 228 CO 0.02 0.19 0.03 0.77 -0.95 0.00 0.00 178.83 178.90 1upl h SER 229 N 0.00 0.82 -0.61 1.46 0.02 -0.31 -0.27 113.55 114.67 1upl h SER 229 Ca -0.00 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.57 1upl h SER 229 Cb 0.35 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1upl h SER 229 CO 0.03 0.91 0.03 0.25 -1.14 0.00 0.00 176.83 176.90 1upl h LEU 230 N 0.70 1.03 -0.03 5.07 5.85 -0.75 -0.84 115.31 126.35 1upl h LEU 230 Ca 0.14 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1upl h LEU 230 Cb 0.47 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1upl h LEU 230 CO 0.02 1.06 0.02 0.50 -0.34 0.00 0.00 178.44 179.70 1upl h LYS 231 N 0.98 0.03 -0.31 1.25 3.64 -1.09 -2.17 116.57 118.91 1upl h LYS 231 Ca 0.18 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1upl h LYS 231 Cb 0.52 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1upl h LYS 231 CO 0.02 0.05 -0.14 1.25 -2.27 0.00 0.00 179.45 178.37 1upl h LEU 232 N 0.01 0.51 -0.63 5.20 5.85 -0.89 -2.79 115.31 122.57 1upl h LEU 232 Ca 0.01 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1upl h LEU 232 Cb 0.02 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 1upl h LEU 232 CO -0.00 0.68 0.26 0.25 -0.34 0.00 0.00 178.44 179.29 1upl h LEU 233 N 0.48 0.28 -0.24 2.25 5.85 -0.55 0.33 115.31 123.72 1upl h LEU 233 Ca 0.09 0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.69 1upl h LEU 233 Cb 0.53 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1upl h LEU 233 CO 0.03 0.17 -0.58 1.23 -0.34 0.00 0.00 178.44 178.95 1upl h GLY 234 N 0.46 0.89 0.83 3.75 0.00 -1.23 -0.17 103.07 107.60 1upl h GLY 234 Ca 0.32 -1.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1upl h GLY 234 CO -0.30 0.98 0.03 0.83 0.00 0.00 0.00 176.54 178.09 1upl h GLU 235 N 0.56 0.24 -1.00 4.80 5.08 -1.26 -0.95 114.58 122.05 1upl h GLU 235 Ca -0.01 -0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.43 1upl h GLU 235 Cb 1.19 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 1upl h GLU 235 CO 0.13 0.40 0.62 -0.07 -1.00 0.00 0.00 179.01 179.09 1upl h LEU 236 N 0.04 0.88 -0.45 1.33 3.38 -0.13 -2.35 115.31 118.01 1upl h LEU 236 Ca 0.05 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1upl h LEU 236 Cb 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1upl h LEU 236 CO 0.00 0.44 -0.77 -0.07 0.09 0.00 0.00 178.44 178.13 1upl h LEU 237 N 0.94 0.03 -0.16 1.67 3.38 -0.42 -3.27 115.31 117.47 1upl h LEU 237 Ca 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1upl h LEU 237 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1upl h LEU 237 CO -0.29 0.79 -0.12 0.18 0.09 0.00 0.00 178.44 179.09 1upl n LEU 238 N -3.63 0.37 -4.68 1.67 4.77 -0.42 -4.84 117.00 110.23 1upl n LEU 238 Ca -0.01 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 1upl n LEU 238 Cb 0.75 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1upl n LEU 238 CO 0.44 0.07 0.59 -0.62 -1.33 0.00 0.00 177.39 176.55 1upl s ASP 239 N -2.59 7.01 0.41 -1.43 2.15 -1.06 -4.95 116.67 116.20 1upl s ASP 239 Ca 0.25 1.23 0.19 0.00 0.43 0.00 0.00 52.55 54.66 1upl s ASP 239 Cb 0.20 -2.46 1.12 0.00 -0.30 0.00 0.00 42.92 41.48 1upl s ASP 239 CO 0.50 -0.35 1.78 0.08 -0.17 0.00 0.00 175.17 177.01 1upl h ARG 240 N 7.19 0.37 0.00 4.34 0.11 -1.91 0.27 114.38 124.74 1upl h ARG 240 Ca -0.32 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.73 1upl h ARG 240 Cb 1.15 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 1upl h ARG 240 CO 0.82 0.24 -0.03 0.45 0.10 0.00 0.00 179.97 181.55 1upl h HIS 241 N 0.38 0.00 -0.55 4.08 3.86 -1.94 -2.96 115.15 118.01 1upl h HIS 241 Ca 0.58 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.78 1upl h HIS 241 Cb 1.51 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.97 1upl h HIS 241 CO -0.00 0.03 0.02 0.09 0.86 0.00 0.00 177.93 178.93 1upl n ASN 242 N -3.37 5.40 -0.24 2.45 3.02 0.95 -4.63 115.26 118.84 1upl n ASN 242 Ca -0.02 -2.90 0.04 0.00 -0.03 0.00 0.00 54.58 51.67 1upl n ASN 242 Cb 0.15 -0.68 0.16 0.00 -0.61 0.00 0.00 39.78 38.80 1upl n ASN 242 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1upl h PHE 243 N 3.65 0.45 -0.18 3.10 3.57 -1.66 -0.92 116.94 124.96 1upl h PHE 243 Ca 0.02 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1upl h PHE 243 Cb 1.93 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 1upl h PHE 243 CO 1.05 0.06 0.08 1.15 -2.23 0.00 0.00 178.31 178.42 1upl h THR 244 N 0.42 1.14 0.00 4.41 2.02 -1.89 -1.53 112.91 117.48 1upl h THR 244 Ca 0.38 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1upl h THR 244 Cb 0.56 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1upl h THR 244 CO -0.39 0.14 0.00 -0.38 0.37 0.00 0.00 175.52 175.26 1upl n ILE 245 N -4.87 0.07 0.00 3.11 -0.00 -0.35 -2.54 119.36 114.78 1upl n ILE 245 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.71 1upl n ILE 245 Cb 0.11 -0.47 0.00 0.00 -0.00 0.00 0.00 39.64 39.28 1upl n ILE 245 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1upl n THR 247 N 0.89 0.00 0.48 1.39 -1.04 -0.58 -1.34 114.28 114.08 1upl n THR 247 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 1upl n THR 247 Cb 0.04 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.45 1upl n THR 247 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1upl h LYS 248 N 0.00 -1.16 -0.48 -2.82 3.64 -1.76 -3.19 116.57 110.80 1upl h LYS 248 Ca 0.00 0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 1upl h LYS 248 Cb 0.00 0.26 -0.10 0.00 -0.41 0.00 0.00 32.23 31.98 1upl h LYS 248 CO 0.00 -0.78 -0.37 -0.92 -2.27 0.00 0.00 179.45 175.12 1upl h TYR 249 N -1.21 -1.05 -0.03 1.91 5.03 -1.49 -0.61 116.97 119.52 1upl h TYR 249 Ca -0.12 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.26 1upl h TYR 249 Cb 0.93 0.53 0.00 0.00 1.55 0.00 0.00 36.73 39.73 1upl h TYR 249 CO -0.01 -0.40 0.00 0.44 -1.32 0.00 0.00 178.16 176.86 1upl n ILE 250 N -5.42 0.16 -0.32 1.81 -5.35 -1.23 -2.84 119.36 106.16 1upl n ILE 250 Ca 0.02 -0.08 0.05 0.00 -0.27 0.00 0.00 62.75 62.46 1upl n ILE 250 Cb 0.35 -0.45 0.12 0.00 -1.74 0.00 0.00 39.64 37.92 1upl n ILE 250 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1upl n SER 251 N 0.01 2.73 -4.31 7.28 3.41 -0.24 -4.89 113.62 117.61 1upl n SER 251 Ca 0.02 -2.25 -0.36 0.00 -0.26 0.00 0.00 58.87 56.02 1upl n SER 251 Cb 0.29 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 1upl n SER 251 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1upl s LYS 252 N -1.44 3.12 0.34 4.33 -0.14 -1.13 -4.88 119.74 119.93 1upl s LYS 252 Ca 0.20 -0.82 0.11 0.00 -1.36 0.00 0.00 55.97 54.10 1upl s LYS 252 Cb 0.13 -3.20 0.90 0.00 -1.68 0.00 0.00 37.83 33.98 1upl s LYS 252 CO 0.09 -0.37 1.76 -1.35 -0.76 0.00 0.00 175.35 174.72 1upl h PRO 253 N 8.15 0.57 -0.67 -1.68 0.11 -1.92 0.85 132.00 137.41 1upl h PRO 253 Ca -0.34 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.80 1upl h PRO 253 Cb 1.13 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 1upl h PRO 253 CO 0.59 0.38 0.37 0.93 -0.21 0.00 0.00 178.00 180.06 1upl h GLU 254 N 0.59 0.66 -0.50 1.05 4.39 -1.97 0.15 114.58 118.95 1upl h GLU 254 Ca 0.61 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 60.20 1upl h GLU 254 Cb 1.19 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1upl h GLU 254 CO -0.40 0.44 0.03 -0.91 -1.16 0.00 0.00 179.01 177.00 1upl h ASN 255 N 0.68 0.79 -0.49 1.42 2.35 0.38 -0.36 115.58 120.35 1upl h ASN 255 Ca 0.30 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1upl h ASN 255 Cb 0.20 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1upl h ASN 255 CO -0.19 0.84 -0.06 0.25 -1.65 0.00 0.00 177.43 176.62 1upl h LEU 256 N 0.77 0.91 -0.49 1.61 5.85 -0.79 -2.93 115.31 120.25 1upl h LEU 256 Ca 0.15 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1upl h LEU 256 Cb 0.43 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1upl h LEU 256 CO 0.02 1.04 0.12 0.11 -0.34 0.00 0.00 178.44 179.38 1upl h LYS 257 N 0.77 0.79 -5.01 1.25 1.57 0.30 -3.41 116.57 112.83 1upl h LYS 257 Ca 0.13 -0.19 -0.38 0.00 -1.87 0.00 0.00 60.65 58.34 1upl h LYS 257 Cb 0.61 -0.10 0.10 0.00 0.08 0.00 0.00 32.23 32.91 1upl h LYS 257 CO 0.04 0.77 1.02 -0.11 -0.57 0.00 0.00 179.45 180.59 1upl n LEU 258 N -4.46 0.54 0.00 2.94 7.94 -0.24 -4.63 117.00 119.08 1upl n LEU 258 Ca 0.01 -1.42 0.00 0.00 -1.11 0.00 0.00 56.01 53.49 1upl n LEU 258 Cb 0.22 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 43.61 1upl n LEU 258 CO 0.40 -2.00 0.00 0.59 -1.11 0.00 0.00 177.39 175.26 1upl n ASN 261 N 9.14 0.00 -0.01 1.96 5.03 -1.26 -4.66 115.26 125.46 1upl n ASN 261 Ca 0.35 0.00 0.14 0.00 0.87 0.00 0.00 54.58 55.94 1upl n ASN 261 Cb 0.40 0.00 0.57 0.00 -1.02 0.00 0.00 39.78 39.73 1upl n ASN 261 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1upl n LEU 262 N 0.00 0.13 0.19 3.41 4.77 -1.26 -1.52 117.00 122.71 1upl n LEU 262 Ca 0.00 0.34 0.14 0.00 -0.03 0.00 0.00 56.01 56.46 1upl n LEU 262 Cb 0.00 -0.40 0.60 0.00 -2.33 0.00 0.00 43.42 41.29 1upl n LEU 262 CO 0.00 0.03 0.91 -0.07 -1.33 0.00 0.00 177.39 176.93 1upl h LEU 263 N 0.05 0.00 -4.66 2.23 3.38 -1.85 -3.09 115.31 111.37 1upl h LEU 263 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1upl h LEU 263 Cb 0.46 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.80 1upl h LEU 263 CO 0.00 0.00 -0.85 0.54 0.09 0.00 0.00 178.44 178.22 1upl n ARG 264 N -2.52 2.83 -4.05 1.13 1.74 -0.58 -4.83 116.66 110.39 1upl n ARG 264 Ca 0.01 -4.19 -0.32 0.00 -0.77 0.00 0.00 57.85 52.58 1upl n ARG 264 Cb 0.22 -1.99 -0.06 0.00 -1.02 0.00 0.00 32.46 29.60 1upl n ARG 264 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1upl s ASP 265 N -3.43 5.79 0.45 0.55 2.15 -1.17 -4.99 116.67 116.02 1upl s ASP 265 Ca 0.43 0.15 0.22 0.00 0.43 0.00 0.00 52.55 53.77 1upl s ASP 265 Cb 0.41 -1.67 1.20 0.00 -0.30 0.00 0.00 42.92 42.56 1upl s ASP 265 CO -0.13 0.24 1.84 0.07 -0.17 0.00 0.00 175.17 177.02 1upl h LYS 266 N 3.81 0.28 -6.14 4.34 2.10 -1.94 -3.39 116.57 115.63 1upl h LYS 266 Ca -0.48 -0.02 -0.57 0.00 -2.00 0.00 0.00 60.65 57.59 1upl h LYS 266 Cb 1.18 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 32.39 1upl h LYS 266 CO 0.65 0.19 0.49 0.45 -2.00 0.00 0.00 179.45 179.23 1upl s SER 267 N -5.50 7.13 0.14 7.07 0.15 -1.26 -4.96 113.70 116.47 1upl s SER 267 Ca -0.07 1.39 -0.17 0.00 0.70 0.00 0.00 55.95 57.80 1upl s SER 267 Cb 0.23 -2.51 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1upl s SER 267 CO 0.79 -0.42 1.77 -0.09 1.20 0.00 0.00 173.24 176.49 1upl h ARG 268 N 7.17 0.48 -0.24 5.44 2.43 -1.99 -1.91 114.38 125.76 1upl h ARG 268 Ca -0.30 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1upl h ARG 268 Cb 1.14 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 1upl h ARG 268 CO 0.85 0.35 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.74 1upl h ASN 269 N 0.46 0.34 -0.29 -3.80 2.35 -1.94 -1.90 115.58 110.79 1upl h ASN 269 Ca 0.13 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1upl h ASN 269 Cb -0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1upl h ASN 269 CO -0.02 0.41 0.14 0.40 -1.65 0.00 0.00 177.43 176.70 1upl h ILE 270 N 0.35 1.16 -0.54 2.81 1.08 -1.77 -2.14 117.51 118.47 1upl h ILE 270 Ca 0.08 -0.46 0.08 0.00 -0.39 0.00 0.00 64.86 64.17 1upl h ILE 270 Cb 0.27 0.92 -0.07 0.00 -3.07 0.00 0.00 36.82 34.88 1upl h ILE 270 CO 0.01 0.16 0.17 1.56 -0.69 0.00 0.00 178.15 179.36 1upl h GLN 271 N 0.33 0.32 -0.52 2.37 4.20 -0.69 -1.25 115.11 119.87 1upl h GLN 271 Ca 0.10 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1upl h GLN 271 Cb 0.13 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1upl h GLN 271 CO -0.01 0.21 0.08 0.35 -0.67 0.00 0.00 178.83 178.80 1upl h PHE 272 N 0.33 0.86 -0.09 2.96 3.57 -0.86 -0.38 116.94 123.33 1upl h PHE 272 Ca 0.27 -0.10 -0.17 0.00 3.53 0.00 0.00 57.97 61.50 1upl h PHE 272 Cb 0.32 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.83 1upl h PHE 272 CO -0.19 0.75 -0.62 0.93 -2.23 0.00 0.00 178.31 176.95 1upl h GLU 273 N 0.79 0.58 -0.67 1.11 4.39 -1.01 -3.18 114.58 116.58 1upl h GLU 273 Ca 0.17 -0.51 0.11 0.00 0.34 0.00 0.00 59.36 59.47 1upl h GLU 273 Cb 0.36 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.04 1upl h GLU 273 CO 0.01 1.13 0.26 0.00 -1.16 0.00 0.00 179.01 179.24 1upl h ALA 274 N 0.46 0.90 -0.93 3.43 0.00 -0.60 -0.44 119.26 122.08 1upl h ALA 274 Ca -0.05 0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.17 1upl h ALA 274 Cb 1.27 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1upl h ALA 274 CO 0.13 -0.19 0.62 0.35 0.00 0.00 0.00 179.25 180.15 1upl h PHE 275 N 0.43 0.53 0.00 0.00 3.57 -1.08 0.19 116.94 120.58 1upl h PHE 275 Ca 0.35 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1upl h PHE 275 Cb 0.48 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1upl h PHE 275 CO -0.17 0.12 0.00 0.72 -2.23 0.00 0.00 178.31 176.75 1upl n HIS 276 N -4.52 0.94 -0.04 0.41 8.25 -0.18 -1.46 115.22 118.62 1upl n HIS 276 Ca 0.20 0.29 -0.18 0.00 -0.26 0.00 0.00 57.72 57.78 1upl n HIS 276 Cb 0.75 -0.98 -0.14 0.00 1.12 0.00 0.00 29.99 30.74 1upl n HIS 276 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1upl n VAL 277 N -2.29 1.65 -0.07 1.59 0.31 0.00 -4.19 118.33 115.33 1upl n VAL 277 Ca 0.05 -0.67 -0.04 0.00 -0.01 0.00 0.00 64.34 63.67 1upl n VAL 277 Cb 0.38 -1.45 0.18 0.00 -0.91 0.00 0.00 33.84 32.04 1upl n VAL 277 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1upl h PHE 278 N 0.04 0.75 -0.59 3.52 3.57 -0.58 -1.16 116.94 122.49 1upl h PHE 278 Ca -0.46 -0.12 0.17 0.00 3.53 0.00 0.00 57.97 61.10 1upl h PHE 278 Cb 2.01 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.53 1upl h PHE 278 CO 0.05 0.75 0.50 1.57 -2.23 0.00 0.00 178.31 178.94 1upl h LYS 279 N 0.65 0.00 -0.14 1.11 2.10 -1.42 -2.17 116.57 116.70 1upl h LYS 279 Ca 0.12 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.66 1upl h LYS 279 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1upl h LYS 279 CO 0.03 0.00 -0.34 0.28 -2.00 0.00 0.00 179.45 177.42 1upl h VAL 280 N 0.00 1.37 -0.48 0.07 2.07 -1.37 -2.72 116.25 115.19 1upl h VAL 280 Ca 0.28 -1.62 0.08 0.00 0.82 0.00 0.00 66.70 66.27 1upl h VAL 280 Cb 1.28 2.05 -0.07 0.00 -1.52 0.00 0.00 31.29 33.03 1upl h VAL 280 CO -0.00 0.48 0.07 -0.26 0.02 0.00 0.00 177.57 177.88 1upl h PHE 281 N 0.07 0.10 -0.27 1.57 -1.00 -1.45 -2.87 116.94 113.08 1upl h PHE 281 Ca -0.00 0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.67 1upl h PHE 281 Cb 0.95 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 1upl h PHE 281 CO 0.10 -0.04 -0.39 0.28 -1.61 0.00 0.00 178.31 176.66 1upl h VAL 282 N 0.19 1.29 0.00 -0.55 2.07 -1.54 -3.12 116.25 114.59 1upl h VAL 282 Ca 0.24 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1upl h VAL 282 Cb 0.33 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1upl h VAL 282 CO -0.34 0.49 -0.17 0.00 0.02 0.00 0.00 177.57 177.58 1upl h ALA 283 N 1.05 0.98 -1.97 1.67 0.00 -1.34 -3.45 119.26 116.21 1upl h ALA 283 Ca 0.05 -0.15 -0.64 0.00 0.00 0.00 0.00 54.91 54.17 1upl h ALA 283 Cb 0.90 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.71 1upl h ALA 283 CO 0.08 0.21 0.77 -1.71 0.00 0.00 0.00 179.25 178.60 1upl n ASN 284 N -3.27 2.66 -0.41 0.00 2.85 -1.10 -4.84 115.26 111.16 1upl n ASN 284 Ca 0.01 1.07 0.13 0.00 -0.11 0.00 0.00 54.58 55.68 1upl n ASN 284 Cb 0.44 -1.31 0.55 0.00 1.24 0.00 0.00 39.78 40.70 1upl n ASN 284 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1upl n PRO 285 N 4.01 1.56 -2.99 1.20 -0.04 -1.26 -4.15 135.00 133.32 1upl n PRO 285 Ca 0.20 -0.81 -0.19 0.00 -0.04 0.00 0.00 63.50 62.65 1upl n PRO 285 Cb 0.24 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 1upl n PRO 285 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1upl n ASN 286 N -0.00 2.10 -4.76 3.54 4.05 -1.26 -5.11 115.26 113.82 1upl n ASN 286 Ca 0.19 -3.18 -0.39 0.00 0.45 0.00 0.00 54.58 51.65 1upl n ASN 286 Cb 0.30 -0.58 0.01 0.00 1.23 0.00 0.00 39.78 40.75 1upl n ASN 286 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1upl s LYS 287 N -2.88 3.59 0.60 1.20 1.02 -1.26 -4.98 119.74 117.03 1upl s LYS 287 Ca 0.41 2.16 -0.16 0.00 0.02 0.00 0.00 55.97 58.40 1upl s LYS 287 Cb 0.36 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 1upl s LYS 287 CO -0.08 -0.81 1.06 0.95 -0.92 0.00 0.00 175.35 175.55 1upl s THR 288 N -1.32 3.76 0.21 2.17 -4.23 -1.26 -4.92 115.64 110.05 1upl s THR 288 Ca 0.64 0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 61.86 1upl s THR 288 Cb -0.38 -3.36 0.22 0.00 1.34 0.00 0.00 72.50 70.32 1upl s THR 288 CO 0.47 -0.49 1.64 -0.61 -0.54 0.00 0.00 174.62 175.09 1upl h GLN 289 N 0.43 0.03 -0.92 3.99 4.15 -1.99 -1.82 115.11 118.99 1upl h GLN 289 Ca -0.47 -0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.10 1upl h GLN 289 Cb 1.22 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.83 1upl h GLN 289 CO 0.57 0.02 0.59 -1.35 -1.93 0.00 0.00 178.83 176.73 1upl h PRO 290 N 0.04 0.70 -0.22 -2.39 0.11 -1.95 0.19 132.00 128.48 1upl h PRO 290 Ca 0.31 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.21 1upl h PRO 290 Cb 0.50 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1upl h PRO 290 CO -0.61 0.46 -0.57 0.82 -0.21 0.00 0.00 178.00 177.89 1upl h ILE 291 N 0.72 1.30 -0.12 4.15 1.08 -1.69 -2.66 117.51 120.30 1upl h ILE 291 Ca 0.47 -1.80 -0.13 0.00 -0.39 0.00 0.00 64.86 63.01 1upl h ILE 291 Cb 0.74 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 1upl h ILE 291 CO -0.23 0.57 -0.48 0.25 -0.69 0.00 0.00 178.15 177.57 1upl h LEU 292 N 0.51 0.34 -0.22 1.44 5.85 -0.75 -1.42 115.31 121.06 1upl h LEU 292 Ca 0.00 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1upl h LEU 292 Cb 1.15 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1upl h LEU 292 CO 0.11 0.77 0.13 0.44 -0.34 0.00 0.00 178.44 179.56 1upl h ASP 293 N 0.25 0.26 -0.35 1.25 3.32 -0.53 0.32 116.42 120.94 1upl h ASP 293 Ca 0.01 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1upl h ASP 293 Cb 0.95 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1upl h ASP 293 CO 0.08 0.23 0.09 0.40 -1.72 0.00 0.00 179.24 178.32 1upl h ILE 294 N 0.27 1.22 -0.50 0.35 2.04 -1.11 -1.46 117.51 118.32 1upl h ILE 294 Ca 0.08 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.27 1upl h ILE 294 Cb 0.01 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1upl h ILE 294 CO -0.02 0.25 0.21 -0.07 0.00 0.00 0.00 178.15 178.52 1upl h LEU 295 N 0.42 0.25 -0.10 1.44 3.38 -1.01 -2.50 115.31 117.20 1upl h LEU 295 Ca 0.11 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1upl h LEU 295 Cb 0.29 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1upl h LEU 295 CO -0.00 0.18 0.04 -0.07 0.09 0.00 0.00 178.44 178.68 1upl h LEU 296 N 0.41 0.13 -2.76 1.67 3.38 -0.72 0.19 115.31 117.61 1upl h LEU 296 Ca 0.23 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1upl h LEU 296 Cb 0.21 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1upl h LEU 296 CO -0.21 0.23 -0.00 0.50 0.09 0.00 0.00 178.44 179.04 1upl h LYS 297 N 0.02 0.00 -0.29 1.13 3.64 -1.15 0.23 116.57 120.15 1upl h LYS 297 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1upl h LYS 297 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1upl h LYS 297 CO -0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1upl n ASN 298 N -3.36 3.23 -0.28 4.20 3.02 -0.95 -4.85 115.26 116.28 1upl n ASN 298 Ca -0.03 -2.40 -0.11 0.00 -0.03 0.00 0.00 54.58 52.01 1upl n ASN 298 Cb 0.08 -0.34 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 1upl n ASN 298 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1upl h GLN 299 N 1.82 -0.18 -0.15 3.52 4.15 0.16 -2.54 115.11 121.88 1upl h GLN 299 Ca 0.00 0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.26 1upl h GLN 299 Cb 0.99 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1upl h GLN 299 CO 0.08 -0.12 -0.60 0.00 -1.93 0.00 0.00 178.83 176.26 1upl h ALA 300 N 0.33 0.67 0.05 3.38 0.00 -1.87 -3.01 119.26 118.81 1upl h ALA 300 Ca 0.14 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1upl h ALA 300 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1upl h ALA 300 CO -0.77 0.71 -0.03 0.87 0.00 0.00 0.00 179.25 180.03 1upl h LYS 301 N 0.38 -0.07 -1.00 0.00 1.79 -1.86 -1.78 116.57 114.03 1upl h LYS 301 Ca -0.00 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.66 1upl h LYS 301 Cb 1.15 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 31.72 1upl h LYS 301 CO 0.11 0.16 0.61 -0.07 -1.08 0.00 0.00 179.45 179.19 1upl h LEU 302 N -0.29 0.77 0.18 2.94 3.38 -1.51 1.24 115.31 122.01 1upl h LEU 302 Ca -0.01 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1upl h LEU 302 Cb 0.26 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1upl h LEU 302 CO 0.01 0.28 -0.09 0.40 0.09 0.00 0.00 178.44 179.14 1upl h ILE 303 N 0.75 0.85 -0.28 1.22 2.04 -1.34 -0.06 117.51 120.69 1upl h ILE 303 Ca 0.57 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 66.34 1upl h ILE 303 Cb 0.90 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1upl h ILE 303 CO -0.36 0.02 0.17 -0.08 0.00 0.00 0.00 178.15 177.90 1upl h GLU 304 N -0.28 0.37 0.52 2.37 4.57 -0.13 -2.51 114.58 119.49 1upl h GLU 304 Ca -0.02 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1upl h GLU 304 Cb 0.22 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1upl h GLU 304 CO 0.04 0.29 -0.33 0.35 -1.18 0.00 0.00 179.01 178.18 1upl h PHE 305 N 0.35 -0.88 0.00 0.92 3.04 0.16 -1.36 116.94 119.17 1upl h PHE 305 Ca 0.10 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1upl h PHE 305 Cb 0.01 0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1upl h PHE 305 CO -0.05 -0.49 0.00 1.28 -2.02 0.00 0.00 178.31 177.04 1upl n LEU 306 N -4.42 0.00 -0.36 0.59 4.77 -0.05 -0.37 117.00 117.16 1upl n LEU 306 Ca -0.10 0.59 0.31 0.00 -0.03 0.00 0.00 56.01 56.79 1upl n LEU 306 Cb 0.33 -0.15 0.53 0.00 -2.33 0.00 0.00 43.42 41.81 1upl n LEU 306 CO 0.23 -0.15 0.96 -1.20 -1.33 0.00 0.00 177.39 175.90 1upl n SER 307 N -1.61 0.18 -3.70 -1.43 7.64 -0.95 -0.47 113.62 113.29 1upl n SER 307 Ca 0.00 1.14 -0.36 0.00 1.01 0.00 0.00 58.87 60.66 1upl n SER 307 Cb 0.00 -0.56 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 1upl n SER 307 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1upl n LYS 308 N -4.36 3.80 -3.53 1.43 4.01 0.51 -4.94 118.16 115.07 1upl n LYS 308 Ca 0.32 -4.63 -0.25 0.00 -0.51 0.00 0.00 58.31 53.24 1upl n LYS 308 Cb 1.23 -2.40 -0.14 0.00 -0.51 0.00 0.00 35.03 33.21 1upl n LYS 308 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1upl s PHE 309 N -2.87 0.10 -1.35 2.13 5.36 0.38 -4.82 117.98 116.92 1upl s PHE 309 Ca 0.36 -0.52 -0.12 0.00 -0.96 0.00 0.00 56.93 55.69 1upl s PHE 309 Cb 0.11 -0.72 0.01 0.00 -0.34 0.00 0.00 43.02 42.08 1upl s PHE 309 CO 0.03 -0.75 0.44 1.04 -1.46 0.00 0.00 175.22 174.52 1upl n GLN 310 N 5.27 -1.53 0.00 10.12 6.02 -1.26 -4.79 117.38 131.22 1upl n GLN 310 Ca -0.06 0.25 0.07 0.00 -0.01 0.00 0.00 57.00 57.25 1upl n GLN 310 Cb 0.45 -3.70 0.34 0.00 1.02 0.00 0.00 30.24 28.36 1upl n GLN 310 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1upl n ASN 311 N -2.70 0.00 -0.98 1.08 3.02 -1.26 -2.45 115.26 111.98 1upl n ASN 311 Ca -0.23 0.35 0.07 0.00 -0.03 0.00 0.00 54.58 54.74 1upl n ASN 311 Cb 0.64 -0.43 0.21 0.00 -0.61 0.00 0.00 39.78 39.60 1upl n ASN 311 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1upl n ASP 312 N -1.43 2.83 -4.85 6.41 5.75 -1.26 -4.92 116.55 119.08 1upl n ASP 312 Ca 0.05 -2.15 -0.37 0.00 -0.01 0.00 0.00 54.79 52.31 1upl n ASP 312 Cb 0.16 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 39.80 1upl n ASP 312 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1upl s ARG 313 N -1.57 3.83 0.00 0.11 3.52 -1.02 -5.00 118.95 118.81 1upl s ARG 313 Ca 0.31 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 1upl s ARG 313 Cb 0.18 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.39 1upl s ARG 313 CO 0.18 0.68 0.00 2.41 -0.81 0.00 0.00 175.30 177.76 1upl n THR 314 N 1.69 0.00 -2.22 4.11 -1.04 -1.26 -4.92 114.28 110.64 1upl n THR 314 Ca -0.14 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.53 1upl n THR 314 Cb 0.53 -0.58 -0.04 0.00 -1.82 0.00 0.00 70.33 68.42 1upl n THR 314 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1upl n GLU 315 N -2.36 2.18 0.00 -2.82 1.02 -1.26 -4.20 120.64 113.20 1upl n GLU 315 Ca 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 57.16 54.40 1upl n GLU 315 Cb 0.33 -3.62 0.00 0.00 -0.02 0.00 0.00 31.44 28.12 1upl n GLU 315 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1upl n ASP 316 N 12.01 0.00 -4.18 1.62 -0.08 -1.26 -5.10 116.55 119.56 1upl n ASP 316 Ca 0.47 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.39 1upl n ASP 316 Cb 0.46 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.97 1upl n ASP 316 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1upl n GLU 317 N 0.00 -0.01 0.00 -0.67 0.00 -1.26 -1.53 120.64 117.16 1upl n GLU 317 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1upl n GLU 317 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1upl n GLU 317 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1upl n GLN 318 N 1.11 0.00 -0.23 5.31 6.02 -1.26 -4.82 117.38 123.51 1upl n GLN 318 Ca 0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.04 1upl n GLN 318 Cb 0.53 -1.80 0.10 0.00 1.02 0.00 0.00 30.24 30.10 1upl n GLN 318 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1upl h PHE 319 N 0.00 -0.18 -0.47 1.08 3.57 -1.71 -0.72 116.94 118.50 1upl h PHE 319 Ca 0.00 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 1upl h PHE 319 Cb 0.00 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1upl h PHE 319 CO 0.00 -0.24 0.01 -0.91 -2.23 0.00 0.00 178.31 174.94 1upl h ASN 320 N 0.06 0.81 0.11 0.41 4.21 -1.88 -1.99 115.58 117.31 1upl h ASN 320 Ca 0.35 -0.30 -0.12 0.00 1.21 0.00 0.00 56.30 57.44 1upl h ASN 320 Cb 0.57 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 1upl h ASN 320 CO -0.63 0.91 -0.40 0.44 -1.29 0.00 0.00 177.43 176.46 1upl h ASP 321 N 0.68 0.40 0.15 5.81 3.32 -1.91 -1.85 116.42 123.02 1upl h ASP 321 Ca 0.14 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1upl h ASP 321 Cb 0.49 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1upl h ASP 321 CO 0.02 0.76 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.90 1upl h GLU 322 N 0.32 -0.19 -0.27 3.56 5.08 -0.81 -0.13 114.58 122.14 1upl h GLU 322 Ca 0.03 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1upl h GLU 322 Cb 0.84 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1upl h GLU 322 CO 0.07 0.01 -0.02 0.87 -1.00 0.00 0.00 179.01 178.94 1upl h LYS 323 N -0.37 0.06 0.36 2.33 1.57 -1.21 0.18 116.57 119.48 1upl h LYS 323 Ca -0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1upl h LYS 323 Cb 0.29 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1upl h LYS 323 CO 0.03 0.04 -0.48 1.15 -0.57 0.00 0.00 179.45 179.63 1upl h THR 324 N 0.06 0.00 -0.97 -0.16 2.02 -1.20 0.91 112.91 113.56 1upl h THR 324 Ca 0.13 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.46 1upl h THR 324 Cb 0.17 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.42 1upl h THR 324 CO -0.23 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.30 1upl n TYR 325 N -5.26 0.07 -0.05 3.16 9.36 -0.07 -0.80 117.16 123.57 1upl n TYR 325 Ca -0.10 1.20 -0.10 0.00 3.32 0.00 0.00 57.90 62.22 1upl n TYR 325 Cb 0.41 -0.89 -0.03 0.00 -0.63 0.00 0.00 39.34 38.20 1upl n TYR 325 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1upl h LEU 326 N 0.00 0.19 -0.51 2.98 3.38 0.86 -2.84 115.31 119.37 1upl h LEU 326 Ca 0.36 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.38 1upl h LEU 326 Cb 0.60 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 1upl h LEU 326 CO -0.97 0.14 -0.49 0.58 0.09 0.00 0.00 178.44 177.79 1upl h VAL 327 N 0.25 0.00 -0.00 1.22 2.07 0.12 -1.72 116.25 118.18 1upl h VAL 327 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1upl h VAL 327 Cb -0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1upl h VAL 327 CO -0.04 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.00 1upl h LYS 328 N -0.23 -0.06 -1.77 1.57 3.64 -1.33 -0.98 116.57 117.41 1upl h LYS 328 Ca 0.09 0.00 0.52 0.00 -1.27 0.00 0.00 60.65 59.99 1upl h LYS 328 Cb 0.46 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.21 1upl h LYS 328 CO -0.60 -0.04 1.26 1.04 -2.27 0.00 0.00 179.45 178.83 1upl n GLN 329 N -2.78 -0.01 0.23 1.90 1.13 -1.03 0.39 117.38 117.22 1upl n GLN 329 Ca -0.01 1.04 0.15 0.00 -1.94 0.00 0.00 57.00 56.24 1upl n GLN 329 Cb 0.04 -2.34 0.45 0.00 0.11 0.00 0.00 30.24 28.49 1upl n GLN 329 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1upl h ILE 330 N 0.00 0.00 0.11 5.09 1.08 -0.26 -3.24 117.51 120.29 1upl h ILE 330 Ca 0.87 -0.68 -0.31 0.00 -0.39 0.00 0.00 64.86 64.35 1upl h ILE 330 Cb 3.41 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 38.80 1upl h ILE 330 CO -0.08 0.00 -1.63 0.03 -0.69 0.00 0.00 178.15 175.78 1upl h ARG 331 N 0.00 0.22 -0.80 2.37 3.08 0.76 -3.35 114.38 116.66 1upl h ARG 331 Ca 0.00 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1upl h ARG 331 Cb 0.71 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1upl h ARG 331 CO 0.00 1.06 0.00 -0.25 -1.07 0.00 0.00 179.97 179.71 1upl n ASP 332 N -3.41 1.89 -4.55 7.04 8.00 -1.17 -4.66 116.55 119.68 1upl n ASP 332 Ca -0.19 -2.18 -0.40 0.00 0.71 0.00 0.00 54.79 52.73 1upl n ASP 332 Cb 1.05 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1upl n ASP 332 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1upl s LEU 333 N -0.66 3.29 0.00 0.64 1.43 -1.25 -5.10 118.68 117.02 1upl s LEU 333 Ca 0.12 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1upl s LEU 333 Cb 0.09 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1upl s LEU 333 CO 0.04 -1.84 0.00 0.29 0.23 0.00 0.00 176.35 175.07