#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kq4 n SER 27 N 0.16 1.60 -4.68 0.00 7.64 -1.26 -4.86 113.62 112.22 3kq4 n SER 27 Ca -0.14 1.11 -0.42 0.00 1.01 0.00 0.00 58.87 60.43 3kq4 n SER 27 Cb 0.83 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 3kq4 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kq4 s VAL 28 N -1.17 3.09 -0.31 0.44 1.01 -1.26 -4.90 120.40 117.29 3kq4 s VAL 28 Ca 0.60 0.39 -0.39 0.00 0.00 0.00 0.00 61.98 62.58 3kq4 s VAL 28 Cb -0.60 -3.25 -0.17 0.00 0.00 0.00 0.00 36.38 32.36 3kq4 s VAL 28 CO 0.59 -0.01 1.26 -2.65 0.00 0.00 0.00 175.10 174.28 3kq4 n PRO 29 N 6.31 0.00 0.12 2.72 -0.02 -1.26 -4.78 135.00 138.09 3kq4 n PRO 29 Ca 0.17 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.83 3kq4 n PRO 29 Cb 0.41 -1.30 0.75 0.00 -0.02 0.00 0.00 33.50 33.33 3kq4 n PRO 29 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3kq4 h SER 30 N 3.84 0.00 -0.79 2.55 0.02 -2.01 0.41 113.55 117.57 3kq4 h SER 30 Ca -0.40 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.65 3kq4 h SER 30 Cb 1.21 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.67 3kq4 h SER 30 CO 0.77 0.00 0.43 0.00 -1.14 0.00 0.00 176.83 176.89 3kq4 h ALA 31 N 1.74 1.12 -0.00 3.77 0.00 -2.02 -2.81 119.26 121.05 3kq4 h ALA 31 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kq4 h ALA 31 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kq4 h ALA 31 CO -0.00 0.03 -0.39 1.04 0.00 0.00 0.00 179.25 179.92 3kq4 n GLN 32 N -4.80 0.15 -0.31 0.00 1.13 0.14 -4.40 117.38 109.29 3kq4 n GLN 32 Ca 0.13 -0.08 0.10 0.00 -1.94 0.00 0.00 57.00 55.21 3kq4 n GLN 32 Cb 0.29 -1.50 0.26 0.00 0.11 0.00 0.00 30.24 29.40 3kq4 n GLN 32 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3kq4 h GLU 33 N 0.19 0.61 -0.97 -1.09 5.08 -1.17 -1.14 114.58 116.09 3kq4 h GLU 33 Ca 0.00 -0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.53 3kq4 h GLU 33 Cb 0.49 -0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.49 3kq4 h GLU 33 CO 0.00 0.40 0.55 -1.35 -1.00 0.00 0.00 179.01 177.62 3kq4 h PRO 34 N 0.63 0.62 -0.62 2.33 0.11 -1.79 0.23 132.00 133.51 3kq4 h PRO 34 Ca 0.51 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.69 3kq4 h PRO 34 Cb 0.78 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.71 3kq4 h PRO 34 CO -0.39 0.41 0.42 1.25 -0.21 0.00 0.00 178.00 179.47 3kq4 h LEU 35 N 0.64 0.37 0.12 2.35 5.85 -1.52 -1.30 115.31 121.81 3kq4 h LEU 35 Ca 0.58 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.31 3kq4 h LEU 35 Cb 1.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3kq4 h LEU 35 CO -0.43 0.22 -0.06 0.58 -0.34 0.00 0.00 178.44 178.41 3kq4 h VAL 36 N 0.41 0.00 0.00 1.05 2.07 -0.56 -3.28 116.25 115.94 3kq4 h VAL 36 Ca 0.29 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kq4 h VAL 36 Cb 0.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3kq4 h VAL 36 CO -0.08 0.00 0.33 0.78 0.02 0.00 0.00 177.57 178.62 3kq4 h ASN 37 N -0.75 0.00 0.00 0.57 2.35 -1.31 -1.52 115.58 114.92 3kq4 h ASN 37 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3kq4 h ASN 37 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3kq4 h ASN 37 CO 0.03 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.42 3kq4 n GLY 38 N -1.26 -3.10 0.46 2.83 0.00 -0.50 -2.90 105.19 100.72 3kq4 n GLY 38 Ca -0.01 0.30 0.28 0.00 0.00 0.00 0.00 46.02 46.59 3kq4 n GLY 38 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3kq4 h ILE 39 N 0.00 0.54 -0.89 -0.61 3.07 -1.41 0.44 117.51 118.65 3kq4 h ILE 39 Ca 0.00 -0.03 0.10 0.00 1.55 0.00 0.00 64.86 66.48 3kq4 h ILE 39 Cb 0.00 0.43 -0.08 0.00 -0.27 0.00 0.00 36.82 36.90 3kq4 h ILE 39 CO 0.00 0.02 0.53 -0.61 -1.05 0.00 0.00 178.15 177.04 3kq4 h GLN 40 N 0.10 0.84 0.00 0.16 4.15 -1.46 0.46 115.11 119.36 3kq4 h GLN 40 Ca 0.48 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.85 3kq4 h GLN 40 Cb 1.73 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.23 3kq4 h GLN 40 CO -0.06 0.56 -0.00 0.28 -1.93 0.00 0.00 178.83 177.67 3kq4 h VAL 41 N 0.87 1.64 -1.11 2.39 2.07 -0.80 -2.01 116.25 119.29 3kq4 h VAL 41 Ca 0.43 -2.03 0.32 0.00 0.82 0.00 0.00 66.70 66.24 3kq4 h VAL 41 Cb 0.41 2.99 -0.05 0.00 -1.52 0.00 0.00 31.29 33.12 3kq4 h VAL 41 CO -0.25 0.52 0.79 0.25 0.02 0.00 0.00 177.57 178.89 3kq4 h LEU 42 N -0.89 0.07 0.03 2.57 6.46 -0.89 0.30 115.31 122.96 3kq4 h LEU 42 Ca -0.00 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3kq4 h LEU 42 Cb 0.85 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.79 3kq4 h LEU 42 CO 0.00 0.01 -0.02 -0.03 -0.62 0.00 0.00 178.44 177.79 3kq4 h MET 43 N 0.06 -0.04 0.00 1.25 4.05 -0.09 -3.32 114.93 116.83 3kq4 h MET 43 Ca 0.54 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.97 3kq4 h MET 43 Cb 2.05 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.86 3kq4 h MET 43 CO -0.05 0.64 -0.01 0.93 0.23 0.00 0.00 176.91 178.65 3kq4 h GLU 44 N -0.86 0.00 0.00 0.39 5.08 -0.09 0.78 114.58 119.89 3kq4 h GLU 44 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kq4 h GLU 44 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3kq4 h GLU 44 CO 0.01 0.01 0.00 -0.91 -1.00 0.00 0.00 179.01 177.11 3kq4 h ASN 45 N 0.00 0.00 1.07 1.42 2.35 -0.62 -2.94 115.58 116.86 3kq4 h ASN 45 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kq4 h ASN 45 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3kq4 h ASN 45 CO 0.00 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.24 3kq4 n SER 46 N -2.40 0.58 -4.58 5.81 3.41 0.27 -4.70 113.62 112.01 3kq4 n SER 46 Ca 0.03 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 3kq4 n SER 46 Cb 0.31 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 3kq4 n SER 46 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kq4 s VAL 47 N -3.15 3.98 0.25 -3.33 1.01 -1.11 -4.76 120.40 113.28 3kq4 s VAL 47 Ca 0.09 0.89 0.04 0.00 0.00 0.00 0.00 61.98 63.00 3kq4 s VAL 47 Cb 0.12 -4.65 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 3kq4 s VAL 47 CO 0.49 -1.27 0.16 0.35 0.00 0.00 0.00 175.10 174.83 3kq4 n THR 48 N 6.74 0.00 0.31 3.92 -2.24 -1.26 -4.93 114.28 116.82 3kq4 n THR 48 Ca 0.10 -1.66 0.13 0.00 -2.27 0.00 0.00 64.05 60.35 3kq4 n THR 48 Cb 0.49 0.73 0.31 0.00 -2.10 0.00 0.00 70.33 69.76 3kq4 n THR 48 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3kq4 h SER 49 N 1.29 0.00 -0.01 3.42 0.87 -2.01 -3.07 113.55 114.04 3kq4 h SER 49 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 3kq4 h SER 49 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 3kq4 h SER 49 CO 0.28 0.00 -0.17 -1.54 -0.53 0.00 0.00 176.83 174.88 3kq4 n SER 50 N -2.91 1.48 -4.73 6.23 3.41 -1.26 -4.97 113.62 110.88 3kq4 n SER 50 Ca 0.04 -1.24 -0.35 0.00 -0.26 0.00 0.00 58.87 57.06 3kq4 n SER 50 Cb 0.46 0.34 0.08 0.00 -0.26 0.00 0.00 64.21 64.83 3kq4 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kq4 s ALA 51 N -1.32 2.21 -0.08 7.33 0.00 -1.16 -4.97 121.76 123.77 3kq4 s ALA 51 Ca 0.10 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 3kq4 s ALA 51 Cb 0.09 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3kq4 s ALA 51 CO 0.24 -1.76 1.18 -0.47 0.00 0.00 0.00 175.76 174.95 3kq4 s TYR 52 N -1.78 3.18 -0.07 0.00 6.14 -1.26 -4.84 117.35 118.72 3kq4 s TYR 52 Ca 0.77 1.23 -0.30 0.00 0.64 0.00 0.00 57.07 59.42 3kq4 s TYR 52 Cb -0.32 -3.40 -0.05 0.00 0.42 0.00 0.00 41.96 38.61 3kq4 s TYR 52 CO 0.43 -1.23 1.64 -2.14 0.64 0.00 0.00 175.55 174.89 3kq4 s PRO 53 N 2.43 4.15 -0.52 4.97 0.02 -1.26 -4.95 135.00 139.84 3kq4 s PRO 53 Ca 0.54 2.14 -0.01 0.00 0.02 0.00 0.00 61.00 63.69 3kq4 s PRO 53 Cb -0.23 -3.99 0.14 0.00 0.02 0.00 0.00 34.50 30.44 3kq4 s PRO 53 CO 0.20 -0.88 0.31 1.21 -0.33 0.00 0.00 177.00 177.51 3kq4 s ASN 54 N 3.40 5.07 0.29 2.53 3.84 -1.26 -4.94 114.94 123.86 3kq4 s ASN 54 Ca 0.73 -2.58 0.00 0.00 0.21 0.00 0.00 52.86 51.22 3kq4 s ASN 54 Cb -0.32 -1.80 0.68 0.00 -0.55 0.00 0.00 41.25 39.26 3kq4 s ASN 54 CO 0.29 -0.40 1.63 -0.65 -2.79 0.00 0.00 177.10 175.17 3kq4 h PRO 55 N 7.30 0.13 -1.03 0.43 0.11 -1.92 0.18 132.00 137.21 3kq4 h PRO 55 Ca -0.06 -0.01 0.28 0.00 0.11 0.00 0.00 66.00 66.32 3kq4 h PRO 55 Cb 0.98 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 3kq4 h PRO 55 CO 0.69 0.09 0.70 0.77 -0.21 0.00 0.00 178.00 180.04 3kq4 h SER 56 N 0.14 0.25 0.07 -2.05 0.02 -1.92 -0.25 113.55 109.81 3kq4 h SER 56 Ca 0.54 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.53 3kq4 h SER 56 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3kq4 h SER 56 CO -0.72 0.06 -0.03 0.40 -1.14 0.00 0.00 176.83 175.40 3kq4 h ILE 57 N 0.23 1.19 -0.65 3.27 2.04 -0.98 -1.87 117.51 120.74 3kq4 h ILE 57 Ca 0.54 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 65.02 3kq4 h ILE 57 Cb 1.68 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 39.77 3kq4 h ILE 57 CO -0.16 0.33 0.43 0.25 0.00 0.00 0.00 178.15 179.00 3kq4 h LEU 58 N -0.81 0.55 -0.29 1.44 5.85 -1.04 0.72 115.31 121.72 3kq4 h LEU 58 Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3kq4 h LEU 58 Cb 0.61 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3kq4 h LEU 58 CO 0.02 0.35 -0.10 0.40 -0.34 0.00 0.00 178.44 178.77 3kq4 h ILE 59 N 0.62 1.29 -0.62 4.05 2.04 -1.22 0.71 117.51 124.38 3kq4 h ILE 59 Ca 0.28 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 3kq4 h ILE 59 Cb 0.31 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3kq4 h ILE 59 CO -0.09 0.37 0.32 0.00 0.00 0.00 0.00 178.15 178.75 3kq4 h ALA 60 N 0.77 0.80 0.00 1.87 0.00 0.05 0.12 119.26 122.87 3kq4 h ALA 60 Ca 0.07 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3kq4 h ALA 60 Cb 0.59 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3kq4 h ALA 60 CO 0.03 0.35 -0.88 0.00 0.00 0.00 0.00 179.25 178.75 3kq4 h MET 61 N 0.85 0.00 -0.21 0.00 -0.00 0.33 -2.14 114.93 113.76 3kq4 h MET 61 Ca 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.82 3kq4 h MET 61 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.68 3kq4 h MET 61 CO -0.03 0.81 -0.28 -0.91 -0.00 0.00 0.00 176.91 176.50 3kq4 h ASN 62 N 0.00 0.42 0.67 -0.10 2.35 -0.67 -1.07 115.58 117.18 3kq4 h ASN 62 Ca -0.02 -0.14 -0.19 0.00 -0.55 0.00 0.00 56.30 55.39 3kq4 h ASN 62 Cb 1.66 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.90 3kq4 h ASN 62 CO 0.11 0.69 -0.85 -0.07 -1.65 0.00 0.00 177.43 175.66 3kq4 h LEU 63 N 0.36 0.16 -0.00 1.61 3.38 -0.74 -3.21 115.31 116.87 3kq4 h LEU 63 Ca 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kq4 h LEU 63 Cb 0.68 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3kq4 h LEU 63 CO 0.05 0.93 -0.79 0.00 0.09 0.00 0.00 178.44 178.72 3kq4 n ALA 64 N -2.43 4.26 -0.60 1.53 0.00 -0.81 -5.00 120.51 117.45 3kq4 n ALA 64 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3kq4 n ALA 64 Cb 0.80 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3kq4 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kq4 n GLY 65 N 1.50 -1.66 3.74 0.00 0.00 -0.43 -5.03 105.19 103.31 3kq4 n GLY 65 Ca 0.05 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 3kq4 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kq4 s ALA 66 N 0.00 3.37 -0.13 4.61 0.00 -1.04 -4.92 121.76 123.65 3kq4 s ALA 66 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.93 3kq4 s ALA 66 Cb 0.00 -2.96 -0.26 0.00 0.00 0.00 0.00 23.12 19.89 3kq4 s ALA 66 CO 0.00 0.04 0.70 1.88 0.00 0.00 0.00 175.76 178.38 3kq4 h TYR 67 N 5.88 0.15 -2.74 0.00 0.05 -1.89 -3.40 116.97 115.01 3kq4 h TYR 67 Ca -0.44 -0.11 -0.75 0.00 0.05 0.00 0.00 58.73 57.48 3kq4 h TYR 67 Cb 1.20 -0.01 -0.21 0.00 1.01 0.00 0.00 36.73 38.72 3kq4 h TYR 67 CO 0.65 1.18 0.93 1.21 -1.05 0.00 0.00 178.16 181.08 3kq4 s ASN 68 N -6.53 7.08 0.61 3.88 3.84 -1.26 -4.85 114.94 117.72 3kq4 s ASN 68 Ca -0.19 -3.06 0.38 0.00 0.21 0.00 0.00 52.86 50.20 3kq4 s ASN 68 Cb -0.00 -2.33 1.95 0.00 -0.55 0.00 0.00 41.25 40.32 3kq4 s ASN 68 CO 0.71 -0.63 2.22 -0.07 -2.79 0.00 0.00 177.10 176.54 3kq4 h LEU 69 N 8.71 0.00 -0.11 3.21 3.38 -1.99 0.14 115.31 128.65 3kq4 h LEU 69 Ca 0.24 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3kq4 h LEU 69 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3kq4 h LEU 69 CO 1.12 0.02 -0.25 0.50 0.09 0.00 0.00 178.44 179.93 3kq4 h LYS 70 N 0.00 0.37 0.39 1.13 3.64 -1.99 -1.64 116.57 118.48 3kq4 h LYS 70 Ca -0.00 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 3kq4 h LYS 70 Cb 0.18 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3kq4 h LYS 70 CO 0.00 0.85 -0.29 0.00 -2.27 0.00 0.00 179.45 177.74 3kq4 h ALA 71 N 0.52 -0.68 -0.39 5.00 0.00 -1.14 0.95 119.26 123.52 3kq4 h ALA 71 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kq4 h ALA 71 Cb 0.84 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3kq4 h ALA 71 CO 0.05 -0.90 0.06 0.37 0.00 0.00 0.00 179.25 178.83 3kq4 h GLN 72 N -0.68 0.18 -0.51 0.00 4.15 -1.29 0.13 115.11 117.09 3kq4 h GLN 72 Ca -0.04 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 3kq4 h GLN 72 Cb 0.58 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 3kq4 h GLN 72 CO 0.00 0.12 0.03 -0.22 -1.93 0.00 0.00 178.83 176.83 3kq4 h LYS 73 N 0.18 0.83 0.77 1.69 3.64 -1.08 -0.79 116.57 121.82 3kq4 h LYS 73 Ca 0.19 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3kq4 h LYS 73 Cb 0.23 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3kq4 h LYS 73 CO -0.26 0.82 -0.39 1.25 -2.27 0.00 0.00 179.45 178.60 3kq4 h LEU 74 N 0.78 -0.95 -2.11 5.20 5.85 0.19 -2.22 115.31 122.06 3kq4 h LEU 74 Ca 0.15 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3kq4 h LEU 74 Cb 0.43 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3kq4 h LEU 74 CO 0.02 -0.65 0.10 0.25 -0.34 0.00 0.00 178.44 177.82 3kq4 h LEU 75 N -1.06 0.00 -0.14 2.25 5.85 -0.96 -0.90 115.31 120.34 3kq4 h LEU 75 Ca -0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3kq4 h LEU 75 Cb 0.82 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 3kq4 h LEU 75 CO 0.16 0.00 -0.00 0.74 -0.34 0.00 0.00 178.44 179.00 3kq4 h THR 76 N 0.00 1.25 -0.13 1.05 2.02 -1.08 -2.69 112.91 113.33 3kq4 h THR 76 Ca 0.06 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 3kq4 h THR 76 Cb 0.26 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3kq4 h THR 76 CO -0.00 0.24 0.05 1.88 0.37 0.00 0.00 175.52 178.06 3kq4 h TYR 77 N -0.02 0.17 -0.19 3.16 0.05 -0.54 -1.38 116.97 118.23 3kq4 h TYR 77 Ca 0.04 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 3kq4 h TYR 77 Cb 0.37 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3kq4 h TYR 77 CO 0.03 0.14 -0.09 1.96 -1.05 0.00 0.00 178.16 179.16 3kq4 h GLN 78 N 0.18 0.39 -0.45 4.88 4.20 -1.35 -2.30 115.11 120.65 3kq4 h GLN 78 Ca 0.05 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 3kq4 h GLN 78 Cb 0.04 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3kq4 h GLN 78 CO -0.01 0.68 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.72 3kq4 h LEU 79 N 0.09 0.75 -0.45 1.46 3.38 -1.05 -2.52 115.31 116.97 3kq4 h LEU 79 Ca 0.04 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kq4 h LEU 79 Cb 0.56 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3kq4 h LEU 79 CO 0.03 0.85 0.23 0.24 0.09 0.00 0.00 178.44 179.88 3kq4 h MET 80 N 0.72 0.44 0.00 1.13 2.86 -1.19 -2.52 114.93 116.37 3kq4 h MET 80 Ca 0.13 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3kq4 h MET 80 Cb 0.51 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3kq4 h MET 80 CO 0.03 0.29 0.00 -1.13 1.06 0.00 0.00 176.91 177.16 3kq4 n SER 81 N -4.90 0.00 -4.63 1.22 3.41 -0.88 -4.90 113.62 102.95 3kq4 n SER 81 Ca 0.03 0.47 -0.39 0.00 -0.26 0.00 0.00 58.87 58.72 3kq4 n SER 81 Cb 0.11 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3kq4 n SER 81 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kq4 n SER 82 N -1.49 1.25 -4.71 4.04 3.41 -0.95 -4.94 113.62 110.24 3kq4 n SER 82 Ca 0.06 0.92 -0.40 0.00 -0.26 0.00 0.00 58.87 59.19 3kq4 n SER 82 Cb 0.27 -1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 62.77 3kq4 n SER 82 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kq4 s ASP 83 N -0.97 7.06 0.52 4.04 3.68 -1.26 -4.95 116.67 124.78 3kq4 s ASP 83 Ca 0.70 1.28 0.22 0.00 2.13 0.00 0.00 52.55 56.88 3kq4 s ASP 83 Cb -0.47 -2.45 1.42 0.00 -1.45 0.00 0.00 42.92 39.97 3kq4 s ASP 83 CO 0.52 -0.18 2.13 0.78 0.13 0.00 0.00 175.17 178.54 3kq4 h ASN 84 N 6.84 0.00 1.06 -0.34 2.35 -1.96 -2.72 115.58 120.81 3kq4 h ASN 84 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3kq4 h ASN 84 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 3kq4 h ASN 84 CO 0.76 0.07 -0.27 0.59 -1.65 0.00 0.00 177.43 176.93 3kq4 n ASN 85 N -4.06 0.59 -0.19 5.81 5.03 -1.26 -2.85 115.26 118.32 3kq4 n ASN 85 Ca -0.03 0.30 0.13 0.00 0.87 0.00 0.00 54.58 55.86 3kq4 n ASN 85 Cb 0.16 -0.29 0.46 0.00 -1.02 0.00 0.00 39.78 39.09 3kq4 n ASN 85 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3kq4 n ASP 86 N -1.98 0.81 -4.59 6.41 8.00 -1.03 -4.83 116.55 119.34 3kq4 n ASP 86 Ca 0.05 -0.75 -0.40 0.00 0.71 0.00 0.00 54.79 54.40 3kq4 n ASP 86 Cb 0.41 0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.47 3kq4 n ASP 86 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kq4 s LEU 87 N -2.51 4.13 0.78 0.64 1.43 -1.13 -5.07 118.68 116.95 3kq4 s LEU 87 Ca 0.25 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 3kq4 s LEU 87 Cb 0.19 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 44.07 3kq4 s LEU 87 CO 0.51 -0.23 1.09 0.42 0.23 0.00 0.00 176.35 178.37 3kq4 s THR 88 N 2.07 3.30 0.24 5.49 -4.23 -1.26 -4.74 115.64 116.51 3kq4 s THR 88 Ca 0.14 0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 3kq4 s THR 88 Cb -0.16 -2.95 0.37 0.00 1.34 0.00 0.00 72.50 71.10 3kq4 s THR 88 CO 0.11 -0.55 1.30 -0.38 -0.54 0.00 0.00 174.62 174.55 3kq4 n ILE 89 N -3.53 -0.35 0.19 2.99 5.41 -1.26 -0.45 119.36 122.37 3kq4 n ILE 89 Ca 0.08 1.88 -0.14 0.00 1.00 0.00 0.00 62.75 65.58 3kq4 n ILE 89 Cb 0.54 -2.65 -0.08 0.00 -0.71 0.00 0.00 39.64 36.74 3kq4 n ILE 89 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3kq4 h GLY 90 N 0.00 -0.53 -0.83 7.39 0.00 -1.92 -1.74 103.07 105.43 3kq4 h GLY 90 Ca 0.43 0.20 0.09 0.00 0.00 0.00 0.00 47.33 48.05 3kq4 h GLY 90 CO -0.83 -0.19 -0.45 1.42 0.00 0.00 0.00 176.54 176.49 3kq4 n HIS 91 N -5.19 -0.26 -0.31 5.60 8.25 -0.37 -1.01 115.22 121.93 3kq4 n HIS 91 Ca -0.10 1.04 -0.02 0.00 -0.26 0.00 0.00 57.72 58.38 3kq4 n HIS 91 Cb 0.28 -0.63 0.14 0.00 1.12 0.00 0.00 29.99 30.90 3kq4 n HIS 91 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kq4 h LEU 92 N 0.00 1.05 0.03 2.41 5.85 -0.62 0.98 115.31 125.01 3kq4 h LEU 92 Ca 0.17 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3kq4 h LEU 92 Cb 0.38 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3kq4 h LEU 92 CO -0.79 0.80 -0.02 1.23 -0.34 0.00 0.00 178.44 179.32 3kq4 h GLY 93 N 1.22 -0.04 0.30 3.75 0.00 -0.24 -2.09 103.07 105.97 3kq4 h GLY 93 Ca 0.32 0.02 0.16 0.00 0.00 0.00 0.00 47.33 47.83 3kq4 h GLY 93 CO -0.06 -0.02 0.61 1.41 0.00 0.00 0.00 176.54 178.49 3kq4 h LEU 94 N -0.38 0.77 0.15 3.11 -0.00 -0.29 -1.45 115.31 117.23 3kq4 h LEU 94 Ca -0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 3kq4 h LEU 94 Cb 0.35 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 3kq4 h LEU 94 CO 0.01 0.34 -0.07 0.74 -0.00 0.00 0.00 178.44 179.45 3kq4 h THR 95 N 0.79 0.81 -0.85 0.22 2.02 -0.63 0.25 112.91 115.52 3kq4 h THR 95 Ca 0.53 -1.16 0.14 0.00 0.77 0.00 0.00 66.41 66.69 3kq4 h THR 95 Cb 0.78 1.38 -0.15 0.00 -1.74 0.00 0.00 68.15 68.43 3kq4 h THR 95 CO -0.30 0.22 -0.34 0.40 0.37 0.00 0.00 175.52 175.87 3kq4 h ILE 96 N -0.89 0.07 -0.50 3.11 2.04 -1.33 0.24 117.51 120.25 3kq4 h ILE 96 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3kq4 h ILE 96 Cb 0.52 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3kq4 h ILE 96 CO 0.03 0.00 0.29 0.24 0.00 0.00 0.00 178.15 178.72 3kq4 h MET 97 N -0.05 0.69 -0.13 2.37 2.86 -1.15 0.01 114.93 119.53 3kq4 h MET 97 Ca 0.33 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3kq4 h MET 97 Cb 0.60 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3kq4 h MET 97 CO -0.88 0.52 0.07 0.00 1.06 0.00 0.00 176.91 177.67 3kq4 h ALA 98 N 1.13 0.17 -0.65 6.32 0.00 0.84 -2.34 119.26 124.74 3kq4 h ALA 98 Ca 0.18 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3kq4 h ALA 98 Cb 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3kq4 h ALA 98 CO -0.03 -0.29 0.36 -0.07 0.00 0.00 0.00 179.25 179.23 3kq4 h LEU 99 N 0.10 0.55 -2.16 0.00 3.38 -0.45 -1.62 115.31 115.11 3kq4 h LEU 99 Ca 0.04 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3kq4 h LEU 99 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kq4 h LEU 99 CO -0.01 0.36 0.21 0.74 0.09 0.00 0.00 178.44 179.83 3kq4 h THR 100 N 0.68 0.58 -0.01 0.22 2.02 -0.45 0.21 112.91 116.16 3kq4 h THR 100 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.47 3kq4 h THR 100 Cb 0.15 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3kq4 h THR 100 CO -0.17 0.00 -0.10 -1.54 0.37 0.00 0.00 175.52 174.08 3kq4 n SER 101 N -3.99 1.39 -0.79 4.18 3.41 -0.62 -2.70 113.62 114.49 3kq4 n SER 101 Ca 0.02 -1.30 0.07 0.00 -0.26 0.00 0.00 58.87 57.41 3kq4 n SER 101 Cb 0.34 0.05 0.19 0.00 -0.26 0.00 0.00 64.21 64.54 3kq4 n SER 101 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kq4 n SER 102 N -0.08 3.19 -2.61 4.04 7.64 0.72 -4.89 113.62 121.63 3kq4 n SER 102 Ca 0.16 -2.06 -0.21 0.00 1.01 0.00 0.00 58.87 57.77 3kq4 n SER 102 Cb 0.36 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3kq4 n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kq4 s ARG 104 N -5.26 3.12 -0.33 0.00 1.81 -1.05 -5.05 118.95 112.18 3kq4 s ARG 104 Ca 0.10 -0.34 -0.29 0.00 -1.72 0.00 0.00 55.73 53.48 3kq4 s ARG 104 Cb -0.04 -2.91 0.02 0.00 -0.45 0.00 0.00 34.95 31.56 3kq4 s ARG 104 CO 0.12 0.72 1.11 0.34 -0.68 0.00 0.00 175.30 176.91 3kq4 s ASP 105 N -1.01 6.88 0.07 0.23 2.15 -1.26 -3.97 116.67 119.75 3kq4 s ASP 105 Ca 0.15 1.03 -0.15 0.00 0.43 0.00 0.00 52.55 54.01 3kq4 s ASP 105 Cb -0.12 -2.54 -0.24 0.00 -0.30 0.00 0.00 42.92 39.73 3kq4 s ASP 105 CO 0.04 -0.93 1.18 1.55 -0.17 0.00 0.00 175.17 176.83 3kq4 h PRO 106 N 8.32 0.67 0.00 4.34 0.14 -1.91 -3.46 132.00 140.11 3kq4 h PRO 106 Ca -0.21 -0.73 0.00 0.00 0.14 0.00 0.00 66.00 65.20 3kq4 h PRO 106 Cb 1.06 0.21 0.00 0.00 0.14 0.00 0.00 31.00 32.41 3kq4 h PRO 106 CO 1.04 1.31 0.00 0.41 0.14 0.00 0.00 178.00 180.90 3kq4 n GLY 107 N 1.09 0.04 0.23 1.56 0.00 -1.26 -2.24 105.19 104.62 3kq4 n GLY 107 Ca -0.11 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3kq4 n GLY 107 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3kq4 h ASP 108 N 0.00 0.51 -0.20 1.61 3.58 -2.01 -2.43 116.42 117.48 3kq4 h ASP 108 Ca 0.00 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 3kq4 h ASP 108 Cb 0.00 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 3kq4 h ASP 108 CO 0.00 0.78 -0.01 0.11 -2.88 0.00 0.00 179.24 177.24 3kq4 h LYS 109 N 0.43 0.48 -0.18 0.28 1.57 -1.85 -2.45 116.57 114.86 3kq4 h LYS 109 Ca 0.06 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3kq4 h LYS 109 Cb 0.73 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3kq4 h LYS 109 CO 0.06 0.52 -0.03 0.28 -0.57 0.00 0.00 179.45 179.71 3kq4 h VAL 110 N 0.46 1.28 -0.25 0.50 2.07 -1.65 -1.69 116.25 116.97 3kq4 h VAL 110 Ca 0.10 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.71 3kq4 h VAL 110 Cb 0.32 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 3kq4 h VAL 110 CO 0.01 0.29 -0.46 0.28 0.02 0.00 0.00 177.57 177.71 3kq4 h SER 111 N 0.05 -1.49 -0.34 0.57 0.02 -1.35 -0.31 113.55 110.69 3kq4 h SER 111 Ca 0.05 0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.27 3kq4 h SER 111 Cb 0.45 0.62 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 3kq4 h SER 111 CO 0.01 -0.42 -0.12 0.40 -1.14 0.00 0.00 176.83 175.56 3kq4 h ILE 112 N -0.45 0.58 -0.66 3.27 2.04 -1.37 -1.42 117.51 119.51 3kq4 h ILE 112 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 3kq4 h ILE 112 Cb 0.62 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3kq4 h ILE 112 CO -0.49 0.00 0.20 0.25 0.00 0.00 0.00 178.15 178.11 3kq4 h LEU 113 N -0.05 0.94 -0.09 1.44 5.85 -1.08 -1.22 115.31 121.10 3kq4 h LEU 113 Ca 0.17 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kq4 h LEU 113 Cb 0.31 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3kq4 h LEU 113 CO -0.38 0.88 0.05 -0.61 -0.34 0.00 0.00 178.44 178.04 3kq4 h GLN 114 N 0.97 0.11 -0.61 1.25 5.75 -0.48 -0.19 115.11 121.92 3kq4 h GLN 114 Ca 0.21 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 3kq4 h GLN 114 Cb 0.29 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 3kq4 h GLN 114 CO -0.01 0.10 0.27 -0.09 -2.65 0.00 0.00 178.83 176.45 3kq4 h ARG 115 N 0.10 0.88 0.00 1.69 2.43 -1.02 -2.52 114.38 115.94 3kq4 h ARG 115 Ca 0.03 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 3kq4 h ARG 115 Cb 0.01 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3kq4 h ARG 115 CO -0.01 0.70 -0.25 1.96 -1.51 0.00 0.00 179.97 180.87 3kq4 h GLN 116 N 0.87 0.00 0.00 0.20 4.20 -0.41 -3.16 115.11 116.81 3kq4 h GLN 116 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3kq4 h GLN 116 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3kq4 h GLN 116 CO -0.02 0.25 -0.86 -1.33 -0.67 0.00 0.00 178.83 176.20 3kq4 n MET 117 N -3.56 0.25 -0.07 1.46 2.81 -0.16 -3.66 117.12 114.18 3kq4 n MET 117 Ca -0.01 0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.78 3kq4 n MET 117 Cb 0.39 -1.61 -0.05 0.00 -0.71 0.00 0.00 33.22 31.24 3kq4 n MET 117 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3kq4 h GLU 118 N 0.00 0.43 -1.00 0.03 5.08 -1.46 -3.18 114.58 114.48 3kq4 h GLU 118 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3kq4 h GLU 118 Cb 0.70 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3kq4 h GLU 118 CO 0.00 0.70 0.00 0.09 -1.00 0.00 0.00 179.01 178.80 3kq4 n ASN 119 N -4.56 1.88 -4.84 1.42 3.02 -1.24 -4.89 115.26 106.06 3kq4 n ASN 119 Ca -0.05 -1.99 -0.37 0.00 -0.03 0.00 0.00 54.58 52.15 3kq4 n ASN 119 Cb 0.31 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.92 3kq4 n ASN 119 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3kq4 s TRP 120 N -0.55 3.58 -0.19 3.10 -0.00 -1.20 -5.07 118.94 118.61 3kq4 s TRP 120 Ca 0.00 0.57 -0.17 0.00 -0.00 0.00 0.00 56.10 56.50 3kq4 s TRP 120 Cb 0.00 -2.06 0.05 0.00 -0.00 0.00 0.00 33.47 31.46 3kq4 s TRP 120 CO 0.00 0.61 0.50 0.00 -0.00 0.00 0.00 176.95 178.06 3kq4 s ALA 121 N -0.69 -1.25 1.00 5.86 0.00 -1.26 -5.04 121.76 120.38 3kq4 s ALA 121 Ca 0.15 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3kq4 s ALA 121 Cb -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.16 3kq4 s ALA 121 CO 0.04 -0.24 0.00 -2.30 0.00 0.00 0.00 175.76 173.26 3kq4 n PRO 122 N 2.86 0.19 0.00 0.00 -0.02 -1.26 -5.10 135.00 131.67 3kq4 n PRO 122 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3kq4 n PRO 122 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3kq4 n PRO 122 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kq4 n SER 123 N -1.79 0.00 -3.95 2.55 7.64 -1.26 -5.12 113.62 111.69 3kq4 n SER 123 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 3kq4 n SER 123 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 3kq4 n SER 123 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kq4 s SER 124 N -1.00 0.19 0.44 6.43 0.01 -1.26 -5.04 113.70 113.46 3kq4 s SER 124 Ca 0.00 -0.46 0.27 0.00 1.31 0.00 0.00 55.95 57.08 3kq4 s SER 124 Cb 0.00 0.15 1.50 0.00 0.21 0.00 0.00 66.02 67.87 3kq4 s SER 124 CO 0.00 -0.36 1.83 -0.65 0.41 0.00 0.00 173.24 174.48 3kq4 h PRO 125 N 4.37 0.00 -0.00 12.44 0.11 -1.95 0.36 132.00 147.33 3kq4 h PRO 125 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kq4 h PRO 125 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kq4 h PRO 125 CO 0.43 0.00 -0.61 0.27 -0.21 0.00 0.00 178.00 177.88 3kq4 n ASN 126 N -2.50 0.71 -4.77 -2.05 0.23 -1.26 -0.27 115.26 105.36 3kq4 n ASN 126 Ca -0.02 -0.52 -0.32 0.00 -0.53 0.00 0.00 54.58 53.19 3kq4 n ASN 126 Cb 0.10 0.44 0.07 0.00 -2.08 0.00 0.00 39.78 38.31 3kq4 n ASN 126 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kq4 s ALA 127 N -2.95 2.34 0.71 -2.53 0.00 0.13 -4.69 121.76 114.76 3kq4 s ALA 127 Ca 0.11 0.44 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 3kq4 s ALA 127 Cb 0.17 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 20.01 3kq4 s ALA 127 CO 0.73 -1.54 1.17 -1.83 0.00 0.00 0.00 175.76 174.29 3kq4 s GLU 128 N -4.44 2.35 0.14 0.00 1.03 -1.26 -4.33 118.70 112.19 3kq4 s GLU 128 Ca 0.65 1.64 -0.11 0.00 0.03 0.00 0.00 54.97 57.18 3kq4 s GLU 128 Cb -0.19 -1.87 -0.06 0.00 -0.80 0.00 0.00 34.13 31.20 3kq4 s GLU 128 CO 0.48 -1.65 1.43 0.00 -1.33 0.00 0.00 175.26 174.20 3kq4 h ALA 129 N -0.18 0.51 0.00 -0.84 0.00 -1.85 -3.09 119.26 113.81 3kq4 h ALA 129 Ca -0.47 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3kq4 h ALA 129 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3kq4 h ALA 129 CO 0.51 0.68 0.00 0.66 0.00 0.00 0.00 179.25 181.10 3kq4 h SER 130 N 0.68 0.00 0.00 0.00 4.64 -1.92 -2.07 113.55 114.88 3kq4 h SER 130 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3kq4 h SER 130 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3kq4 h SER 130 CO 0.11 0.00 0.46 0.00 -0.87 0.00 0.00 176.83 176.54 3kq4 h ALA 131 N 2.11 1.42 -0.01 5.18 0.00 -1.92 0.30 119.26 126.34 3kq4 h ALA 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kq4 h ALA 131 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kq4 h ALA 131 CO 0.00 -0.42 -0.45 1.19 0.00 0.00 0.00 179.25 179.57 3kq4 n PHE 132 N -2.54 0.00 -0.08 0.00 3.72 -0.78 -4.46 117.46 113.31 3kq4 n PHE 132 Ca -0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 3kq4 n PHE 132 Cb 0.49 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.95 3kq4 n PHE 132 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3kq4 h TYR 133 N 2.08 0.58 0.50 1.38 5.03 -0.60 -2.27 116.97 123.67 3kq4 h TYR 133 Ca 0.00 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.15 3kq4 h TYR 133 Cb 0.69 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.82 3kq4 h TYR 133 CO 0.00 0.78 -0.41 0.78 -1.32 0.00 0.00 178.16 177.98 3kq4 h GLY 134 N 0.21 -1.04 1.21 1.82 0.00 -1.78 -2.72 103.07 100.77 3kq4 h GLY 134 Ca 0.05 0.47 0.11 0.00 0.00 0.00 0.00 47.33 47.96 3kq4 h GLY 134 CO 0.04 -0.35 0.29 -2.55 0.00 0.00 0.00 176.54 173.97 3kq4 h PRO 135 N -0.91 0.00 -0.23 4.80 0.11 -1.80 -1.82 132.00 132.15 3kq4 h PRO 135 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3kq4 h PRO 135 Cb 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3kq4 h PRO 135 CO -0.01 0.00 0.14 0.77 -0.21 0.00 0.00 178.00 178.68 3kq4 h SER 136 N 0.00 0.28 -0.48 -2.05 0.02 -1.08 -1.10 113.55 109.13 3kq4 h SER 136 Ca 0.18 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 3kq4 h SER 136 Cb 0.76 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 3kq4 h SER 136 CO -0.00 0.25 0.21 -0.07 -1.14 0.00 0.00 176.83 176.08 3kq4 h LEU 137 N 0.28 0.27 0.19 5.07 -0.00 -1.24 -0.95 115.31 118.93 3kq4 h LEU 137 Ca 0.08 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 58.01 3kq4 h LEU 137 Cb 0.02 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 3kq4 h LEU 137 CO -0.02 0.19 -0.21 0.00 -0.00 0.00 0.00 178.44 178.41 3kq4 h ALA 138 N 1.29 -0.41 -0.67 1.53 0.00 -1.32 -1.24 119.26 118.44 3kq4 h ALA 138 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3kq4 h ALA 138 Cb 0.18 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3kq4 h ALA 138 CO -0.19 -0.76 0.41 0.82 0.00 0.00 0.00 179.25 179.54 3kq4 h ILE 139 N -0.43 1.07 -0.41 0.00 2.04 -1.09 0.29 117.51 118.98 3kq4 h ILE 139 Ca 0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3kq4 h ILE 139 Cb 0.41 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3kq4 h ILE 139 CO -0.06 0.15 0.23 0.25 0.00 0.00 0.00 178.15 178.72 3kq4 h LEU 140 N 0.80 0.50 -0.88 1.44 5.85 -0.64 0.30 115.31 122.67 3kq4 h LEU 140 Ca 0.28 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 3kq4 h LEU 140 Cb 0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3kq4 h LEU 140 CO -0.12 0.43 -0.54 0.00 -0.34 0.00 0.00 178.44 177.87 3kq4 h ALA 141 N 1.09 1.07 0.09 1.25 0.00 -0.84 -2.32 119.26 119.60 3kq4 h ALA 141 Ca 0.14 -0.49 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 3kq4 h ALA 141 Cb 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kq4 h ALA 141 CO -0.02 0.68 -0.89 1.25 0.00 0.00 0.00 179.25 180.26 3kq4 h LEU 142 N 0.04 0.63 -1.54 0.00 5.85 -0.29 -3.02 115.31 116.98 3kq4 h LEU 142 Ca -0.00 -0.85 0.05 0.00 0.84 0.00 0.00 57.88 57.92 3kq4 h LEU 142 Cb 0.97 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3kq4 h LEU 142 CO 0.07 1.41 0.38 0.00 -0.34 0.00 0.00 178.44 179.96 3kq4 h GLN 144 N 0.58 0.00 0.00 0.00 4.20 -1.32 -2.52 115.11 116.05 3kq4 h GLN 144 Ca 0.24 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 3kq4 h GLN 144 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3kq4 h GLN 144 CO -0.07 0.35 -0.63 0.87 -0.67 0.00 0.00 178.83 178.69 3kq4 h LYS 145 N 0.00 0.00 -2.81 1.46 1.79 -1.04 -3.46 116.57 112.51 3kq4 h LYS 145 Ca -0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 3kq4 h LYS 145 Cb 0.72 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.97 3kq4 h LYS 145 CO 0.05 0.79 -0.78 1.21 -1.08 0.00 0.00 179.45 179.63 3kq4 s ASN 146 N -6.38 3.55 0.05 0.86 3.84 0.37 -5.04 114.94 112.20 3kq4 s ASN 146 Ca -0.21 -1.30 -0.32 0.00 0.21 0.00 0.00 52.86 51.24 3kq4 s ASN 146 Cb 0.02 -0.36 -0.19 0.00 -0.55 0.00 0.00 41.25 40.17 3kq4 s ASN 146 CO 0.52 -0.44 1.50 0.77 -2.79 0.00 0.00 177.10 176.67 3kq4 h SER 147 N 8.40 -0.82 -0.81 -4.21 4.64 -1.65 -2.57 113.55 116.54 3kq4 h SER 147 Ca -0.20 0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.24 3kq4 h SER 147 Cb 1.01 0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 3kq4 h SER 147 CO 0.44 -0.54 0.53 -0.08 -0.87 0.00 0.00 176.83 176.31 3kq4 h GLU 148 N -1.04 0.66 0.00 4.77 4.81 -1.90 0.15 114.58 122.02 3kq4 h GLU 148 Ca -0.10 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3kq4 h GLU 148 Cb 0.76 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3kq4 h GLU 148 CO 0.16 0.43 0.00 0.00 -0.73 0.00 0.00 179.01 178.88 3kq4 n ALA 149 N -2.45 2.24 0.78 2.92 0.00 -1.18 -3.03 120.51 119.78 3kq4 n ALA 149 Ca 0.14 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.65 3kq4 n ALA 149 Cb 0.38 -1.46 0.05 0.00 0.00 0.00 0.00 19.45 18.42 3kq4 n ALA 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kq4 n THR 150 N -2.03 0.08 -0.09 0.00 -1.04 0.48 -4.62 114.28 107.07 3kq4 n THR 150 Ca 0.06 -0.13 -0.06 0.00 -2.04 0.00 0.00 64.05 61.88 3kq4 n THR 150 Cb 0.39 0.39 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 3kq4 n THR 150 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kq4 h LEU 151 N 0.00 -0.27 0.08 -4.42 3.38 -1.39 -0.97 115.31 111.72 3kq4 h LEU 151 Ca 0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3kq4 h LEU 151 Cb 0.62 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 3kq4 h LEU 151 CO 0.00 -0.09 -0.36 -0.65 0.09 0.00 0.00 178.44 177.42 3kq4 h PRO 152 N 0.02 -0.55 -0.58 1.13 0.11 -1.83 0.27 132.00 130.57 3kq4 h PRO 152 Ca 0.16 0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.37 3kq4 h PRO 152 Cb 0.24 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.42 3kq4 h PRO 152 CO -0.32 -0.37 0.27 0.82 -0.21 0.00 0.00 178.00 178.19 3kq4 h ILE 153 N -0.57 0.89 -0.70 4.15 2.04 -1.82 -0.21 117.51 121.28 3kq4 h ILE 153 Ca 0.04 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3kq4 h ILE 153 Cb 0.62 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3kq4 h ILE 153 CO -0.24 0.09 0.40 0.00 0.00 0.00 0.00 178.15 178.40 3kq4 h ALA 154 N 1.34 1.39 -0.01 1.87 0.00 -0.34 -0.92 119.26 122.59 3kq4 h ALA 154 Ca 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kq4 h ALA 154 Cb 0.24 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kq4 h ALA 154 CO -0.22 0.52 -0.00 0.28 0.00 0.00 0.00 179.25 179.83 3kq4 h VAL 155 N 0.97 1.26 -0.98 0.00 2.07 0.76 -2.18 116.25 118.16 3kq4 h VAL 155 Ca 0.25 -0.76 0.14 0.00 0.82 0.00 0.00 66.70 67.15 3kq4 h VAL 155 Cb -0.00 1.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 3kq4 h VAL 155 CO -0.04 0.20 0.61 -0.09 0.02 0.00 0.00 177.57 178.27 3kq4 h ARG 156 N -0.29 0.83 -0.05 1.57 2.43 -0.66 -1.70 114.38 116.51 3kq4 h ARG 156 Ca 0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3kq4 h ARG 156 Cb 0.33 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3kq4 h ARG 156 CO 0.00 0.55 -0.02 0.35 -1.51 0.00 0.00 179.97 179.34 3kq4 h PHE 157 N 0.86 0.11 0.11 2.20 3.57 -1.05 -2.90 116.94 119.84 3kq4 h PHE 157 Ca 0.50 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.97 3kq4 h PHE 157 Cb 0.65 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.37 3kq4 h PHE 157 CO -0.00 0.48 -0.05 0.00 -2.23 0.00 0.00 178.31 176.51 3kq4 h ALA 158 N 0.61 -0.14 -0.45 2.41 0.00 -0.72 0.16 119.26 121.12 3kq4 h ALA 158 Ca 0.01 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3kq4 h ALA 158 Cb 0.46 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 3kq4 h ALA 158 CO 0.01 -0.57 -0.22 0.87 0.00 0.00 0.00 179.25 179.33 3kq4 h LYS 159 N -0.16 -0.13 0.00 0.00 1.57 -1.40 -1.19 116.57 115.27 3kq4 h LYS 159 Ca -0.01 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kq4 h LYS 159 Cb 0.12 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3kq4 h LYS 159 CO 0.02 -0.08 -0.00 1.79 -0.57 0.00 0.00 179.45 180.61 3kq4 h THR 160 N -0.13 1.19 -0.35 -0.16 1.35 -1.30 -1.81 112.91 111.69 3kq4 h THR 160 Ca 0.21 -0.56 0.06 0.00 -0.55 0.00 0.00 66.41 65.58 3kq4 h THR 160 Cb 0.46 1.56 -0.06 0.00 -1.73 0.00 0.00 68.15 68.39 3kq4 h THR 160 CO -0.53 0.14 0.01 0.25 -0.25 0.00 0.00 175.52 175.14 3kq4 h LEU 161 N -0.24 -0.13 0.10 3.87 5.85 -0.39 0.83 115.31 125.20 3kq4 h LEU 161 Ca -0.00 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3kq4 h LEU 161 Cb 0.24 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3kq4 h LEU 161 CO 0.00 -0.03 -0.36 0.25 -0.34 0.00 0.00 178.44 177.97 3kq4 h LEU 162 N 0.11 -1.04 -1.95 2.25 5.85 -1.20 -2.73 115.31 116.60 3kq4 h LEU 162 Ca 0.17 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3kq4 h LEU 162 Cb 0.23 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 3kq4 h LEU 162 CO -0.28 -0.44 -0.05 0.00 -0.34 0.00 0.00 178.44 177.33 3kq4 h ALA 163 N 0.03 1.86 -2.85 1.25 0.00 -0.56 -3.43 119.26 115.56 3kq4 h ALA 163 Ca 0.03 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 3kq4 h ALA 163 Cb 0.61 -0.01 0.16 0.00 0.00 0.00 0.00 17.79 18.55 3kq4 h ALA 163 CO -0.22 0.06 0.21 -1.71 0.00 0.00 0.00 179.25 177.59 3kq4 n ASN 164 N -4.40 1.10 -0.41 0.00 2.85 0.22 -4.87 115.26 109.74 3kq4 n ASN 164 Ca -0.03 0.83 0.01 0.00 -0.11 0.00 0.00 54.58 55.29 3kq4 n ASN 164 Cb 0.13 -1.42 0.02 0.00 1.24 0.00 0.00 39.78 39.75 3kq4 n ASN 164 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3kq4 n SER 165 N -0.84 0.29 -4.85 1.20 3.41 0.63 -5.00 113.62 108.45 3kq4 n SER 165 Ca 0.13 -2.06 -0.32 0.00 -0.26 0.00 0.00 58.87 56.37 3kq4 n SER 165 Cb 0.47 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 3kq4 n SER 165 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kq4 s SER 166 N -1.15 6.62 -0.44 4.04 0.01 -1.23 -4.94 113.70 116.61 3kq4 s SER 166 Ca 0.04 1.43 -0.45 0.00 1.31 0.00 0.00 55.95 58.27 3kq4 s SER 166 Cb 0.03 -2.45 -0.19 0.00 0.21 0.00 0.00 66.02 63.63 3kq4 s SER 166 CO 0.00 -0.50 1.62 -2.65 0.41 0.00 0.00 173.24 172.13 3kq4 n PRO 167 N -1.37 0.27 -1.68 12.44 -0.02 -1.26 -4.74 135.00 138.64 3kq4 n PRO 167 Ca 0.05 0.10 -0.45 0.00 -2.02 0.00 0.00 63.50 61.18 3kq4 n PRO 167 Cb 0.54 -1.64 -0.04 0.00 -0.02 0.00 0.00 33.50 32.34 3kq4 n PRO 167 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kq4 n PHE 168 N 4.28 2.44 -3.94 6.00 7.35 -1.26 -4.54 117.46 127.78 3kq4 n PHE 168 Ca 0.30 0.09 -0.35 0.00 -0.76 0.00 0.00 57.45 56.72 3kq4 n PHE 168 Cb -0.01 -2.63 -0.12 0.00 0.35 0.00 0.00 39.48 37.07 3kq4 n PHE 168 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3kq4 s ASN 169 N 1.92 5.23 0.04 -2.13 3.84 -1.26 -5.03 114.94 117.55 3kq4 s ASN 169 Ca 0.81 -0.10 -0.25 0.00 0.21 0.00 0.00 52.86 53.52 3kq4 s ASN 169 Cb -0.61 -1.91 -0.17 0.00 -0.55 0.00 0.00 41.25 38.01 3kq4 s ASN 169 CO 0.39 0.06 1.48 0.58 -2.79 0.00 0.00 177.10 176.83 3kq4 h VAL 170 N 5.27 0.93 -0.93 -5.21 2.07 -1.96 -0.90 116.25 115.52 3kq4 h VAL 170 Ca -0.37 -0.42 0.10 0.00 0.82 0.00 0.00 66.70 66.83 3kq4 h VAL 170 Cb 1.18 1.19 -0.12 0.00 -1.52 0.00 0.00 31.29 32.01 3kq4 h VAL 170 CO 0.62 0.10 -0.50 0.47 0.02 0.00 0.00 177.57 178.29 3kq4 n ASP 171 N -5.09 -0.88 -0.15 0.57 9.92 -1.26 0.18 116.55 119.83 3kq4 n ASP 171 Ca -0.09 1.65 -0.07 0.00 -0.53 0.00 0.00 54.79 55.74 3kq4 n ASP 171 Cb 0.18 -0.26 0.01 0.00 -0.64 0.00 0.00 41.12 40.42 3kq4 n ASP 171 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3kq4 h THR 172 N 0.00 1.12 -0.56 -3.53 2.02 -1.90 -2.37 112.91 107.69 3kq4 h THR 172 Ca 0.20 -0.23 0.10 0.00 0.77 0.00 0.00 66.41 67.25 3kq4 h THR 172 Cb 0.43 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.20 3kq4 h THR 172 CO -0.89 0.12 0.10 1.23 0.37 0.00 0.00 175.52 176.45 3kq4 h GLY 173 N 0.63 0.68 0.91 2.16 0.00 0.58 -0.46 103.07 107.58 3kq4 h GLY 173 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3kq4 h GLY 173 CO -0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 176.54 176.32 3kq4 h ALA 174 N 1.45 -0.16 -0.70 3.60 0.00 0.02 -1.57 119.26 121.91 3kq4 h ALA 174 Ca 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3kq4 h ALA 174 Cb 0.42 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3kq4 h ALA 174 CO -0.39 -0.60 0.34 0.52 0.00 0.00 0.00 179.25 179.12 3kq4 h MET 175 N -0.18 1.00 -0.90 0.00 2.86 -1.10 -1.75 114.93 114.86 3kq4 h MET 175 Ca 0.00 -0.15 0.08 0.00 -2.06 0.00 0.00 59.70 57.57 3kq4 h MET 175 Cb 0.17 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 31.58 3kq4 h MET 175 CO -0.01 0.79 0.56 0.00 1.06 0.00 0.00 176.91 179.30 3kq4 h ALA 176 N 1.16 1.26 -0.15 6.32 0.00 -0.86 -1.91 119.26 125.09 3kq4 h ALA 176 Ca 0.24 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3kq4 h ALA 176 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kq4 h ALA 176 CO -0.03 0.27 -0.20 1.79 0.00 0.00 0.00 179.25 181.09 3kq4 h THR 177 N 0.98 1.21 -0.00 0.00 1.35 -0.39 0.92 112.91 116.98 3kq4 h THR 177 Ca 0.41 -0.97 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3kq4 h THR 177 Cb 0.24 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3kq4 h THR 177 CO -0.20 0.30 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.30 3kq4 h LEU 178 N 0.23 0.00 -0.52 3.87 3.38 -1.03 0.34 115.31 121.58 3kq4 h LEU 178 Ca 0.04 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.75 3kq4 h LEU 178 Cb 0.49 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3kq4 h LEU 178 CO 0.03 0.34 0.17 0.00 0.09 0.00 0.00 178.44 179.07 3kq4 h ALA 179 N 0.67 0.63 0.00 1.53 0.00 -1.15 -1.52 119.26 119.42 3kq4 h ALA 179 Ca 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3kq4 h ALA 179 Cb 0.34 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kq4 h ALA 179 CO 0.00 -0.23 -0.40 -0.07 0.00 0.00 0.00 179.25 178.55 3kq4 h LEU 180 N 0.34 0.00 -0.01 0.00 4.07 -0.75 -2.88 115.31 116.09 3kq4 h LEU 180 Ca 0.25 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.01 3kq4 h LEU 180 Cb 0.29 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.05 3kq4 h LEU 180 CO -0.27 0.40 -0.79 0.74 -1.08 0.00 0.00 178.44 177.44 3kq4 h THR 181 N 0.00 1.36 -0.54 0.22 2.02 0.02 -2.64 112.91 113.34 3kq4 h THR 181 Ca -0.00 -2.13 0.04 0.00 0.77 0.00 0.00 66.41 65.09 3kq4 h THR 181 Cb 1.12 2.47 -0.04 0.00 -1.74 0.00 0.00 68.15 69.95 3kq4 h THR 181 CO 0.05 0.64 0.29 0.00 0.37 0.00 0.00 175.52 176.87 3kq4 h MET 183 N 0.56 0.10 -1.10 0.00 2.07 -1.56 -2.54 114.93 112.46 3kq4 h MET 183 Ca 0.24 -0.02 0.30 0.00 -2.07 0.00 0.00 59.70 58.14 3kq4 h MET 183 Cb 0.13 -0.01 -0.09 0.00 -1.87 0.00 0.00 31.60 29.75 3kq4 h MET 183 CO -0.15 0.30 0.71 -0.92 1.07 0.00 0.00 176.91 177.92 3kq4 h TYR 184 N -0.12 0.57 -0.22 -0.22 3.20 -1.17 -0.81 116.97 118.21 3kq4 h TYR 184 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3kq4 h TYR 184 Cb 0.25 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3kq4 h TYR 184 CO 0.01 0.01 0.00 0.09 -1.64 0.00 0.00 178.16 176.63 3kq4 n ASN 185 N -4.60 1.43 -2.24 -2.11 3.02 -0.66 -4.20 115.26 105.91 3kq4 n ASN 185 Ca 0.27 -2.05 0.01 0.00 -0.03 0.00 0.00 54.58 52.78 3kq4 n ASN 185 Cb 1.00 -0.22 0.04 0.00 -0.61 0.00 0.00 39.78 39.98 3kq4 n ASN 185 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kq4 n LYS 186 N 0.16 0.97 -2.24 3.52 4.76 -0.31 -5.04 118.16 119.98 3kq4 n LYS 186 Ca 0.08 -2.70 -0.43 0.00 -2.87 0.00 0.00 58.31 52.39 3kq4 n LYS 186 Cb 0.25 -0.79 -0.02 0.00 -1.84 0.00 0.00 35.03 32.63 3kq4 n LYS 186 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kq4 s ILE 187 N -1.97 3.95 0.31 -0.18 -1.09 -1.23 -4.64 121.20 116.34 3kq4 s ILE 187 Ca 0.28 1.17 -0.28 0.00 -2.23 0.00 0.00 60.65 59.59 3kq4 s ILE 187 Cb 0.34 -3.75 -0.14 0.00 -1.58 0.00 0.00 42.46 37.33 3kq4 s ILE 187 CO -0.09 -0.09 1.04 -2.65 -1.23 0.00 0.00 174.94 171.91 3kq4 n PRO 188 N 6.71 1.44 -1.60 2.79 -0.02 -1.26 -4.83 135.00 138.24 3kq4 n PRO 188 Ca 0.15 0.51 -0.44 0.00 -2.02 0.00 0.00 63.50 61.69 3kq4 n PRO 188 Cb 0.44 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 31.97 3kq4 n PRO 188 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kq4 n VAL 189 N 0.18 0.43 0.00 -1.45 0.31 -1.26 -2.46 118.33 114.08 3kq4 n VAL 189 Ca 0.09 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3kq4 n VAL 189 Cb 0.33 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 3kq4 n VAL 189 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kq4 n GLY 190 N 5.51 0.84 3.72 2.92 0.00 -1.26 -5.10 105.19 111.81 3kq4 n GLY 190 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 3kq4 n GLY 190 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kq4 n SER 191 N 0.00 3.21 -4.55 1.61 7.64 -1.03 -4.81 113.62 115.69 3kq4 n SER 191 Ca 0.00 1.18 -0.50 0.00 1.01 0.00 0.00 58.87 60.56 3kq4 n SER 191 Cb 0.00 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 61.63 3kq4 n SER 191 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3kq4 n GLU 192 N 1.27 0.94 -1.65 1.43 0.28 -1.26 -4.75 120.64 116.90 3kq4 n GLU 192 Ca 0.07 0.33 -0.42 0.00 -0.16 0.00 0.00 57.16 56.99 3kq4 n GLU 192 Cb 0.36 -1.78 -0.03 0.00 1.43 0.00 0.00 31.44 31.41 3kq4 n GLU 192 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3kq4 s GLU 193 N -0.43 2.93 0.00 3.44 2.02 -1.26 -3.34 118.70 122.07 3kq4 s GLU 193 Ca 0.74 1.80 0.00 0.00 0.02 0.00 0.00 54.97 57.53 3kq4 s GLU 193 Cb -0.90 -4.40 0.00 0.00 0.10 0.00 0.00 34.13 28.93 3kq4 s GLU 193 CO 0.53 -2.33 0.00 0.41 0.02 0.00 0.00 175.26 173.89 3kq4 n GLY 194 N 5.78 0.86 0.41 -1.39 0.00 -1.26 -4.95 105.19 104.63 3kq4 n GLY 194 Ca 0.30 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 3kq4 n GLY 194 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kq4 h TYR 195 N 0.00 -0.95 -0.77 1.61 -1.99 -1.91 -0.61 116.97 112.35 3kq4 h TYR 195 Ca 0.00 -0.02 0.14 0.00 2.00 0.00 0.00 58.73 60.84 3kq4 h TYR 195 Cb 0.00 0.32 -0.09 0.00 2.00 0.00 0.00 36.73 38.95 3kq4 h TYR 195 CO 0.00 -0.59 0.33 -0.09 -0.00 0.00 0.00 178.16 177.81 3kq4 h ARG 196 N -1.11 0.48 -0.51 4.88 2.43 -1.94 0.14 114.38 118.75 3kq4 h ARG 196 Ca -0.11 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 3kq4 h ARG 196 Cb 0.79 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3kq4 h ARG 196 CO 0.17 0.32 0.10 0.66 -1.51 0.00 0.00 179.97 179.71 3kq4 h SER 197 N 0.50 0.74 -0.02 -3.80 4.64 -1.91 0.31 113.55 114.01 3kq4 h SER 197 Ca 0.42 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 3kq4 h SER 197 Cb 0.60 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3kq4 h SER 197 CO -0.38 0.75 -0.02 0.25 -0.87 0.00 0.00 176.83 176.56 3kq4 h LEU 198 N 0.76 0.05 -1.24 5.97 6.46 0.56 -2.22 115.31 125.66 3kq4 h LEU 198 Ca 0.17 -0.45 0.02 0.00 -0.12 0.00 0.00 57.88 57.50 3kq4 h LEU 198 Cb 0.32 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 3kq4 h LEU 198 CO 0.00 0.49 0.52 -0.26 -0.62 0.00 0.00 178.44 178.58 3kq4 h PHE 199 N -0.39 0.96 0.03 1.25 0.04 -0.50 -1.97 116.94 116.37 3kq4 h PHE 199 Ca 0.00 0.02 -0.25 0.00 2.80 0.00 0.00 57.97 60.55 3kq4 h PHE 199 Cb 0.48 -0.32 0.01 0.00 2.20 0.00 0.00 35.95 38.31 3kq4 h PHE 199 CO 0.08 0.58 -1.03 0.78 -0.60 0.00 0.00 178.31 178.12 3kq4 h GLY 200 N 1.01 0.53 0.49 -1.45 0.00 -0.98 -1.20 103.07 101.48 3kq4 h GLY 200 Ca 0.30 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3kq4 h GLY 200 CO -0.08 0.87 -0.40 -1.61 0.00 0.00 0.00 176.54 175.32 3kq4 h GLN 201 N 0.25 -0.73 -0.80 4.80 4.15 -1.05 -0.48 115.11 121.24 3kq4 h GLN 201 Ca -0.11 0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.47 3kq4 h GLN 201 Cb 1.69 0.17 -0.06 0.00 0.21 0.00 0.00 27.48 29.49 3kq4 h GLN 201 CO 0.18 -0.49 0.52 0.28 -1.93 0.00 0.00 178.83 177.40 3kq4 h VAL 202 N -0.76 0.92 -0.54 2.39 2.07 -1.37 -1.61 116.25 117.36 3kq4 h VAL 202 Ca -0.01 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 3kq4 h VAL 202 Cb 0.71 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3kq4 h VAL 202 CO -0.12 0.13 -0.03 -0.07 0.02 0.00 0.00 177.57 177.49 3kq4 h LEU 203 N 0.70 0.93 0.21 2.57 3.38 -0.33 -1.23 115.31 121.54 3kq4 h LEU 203 Ca 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kq4 h LEU 203 Cb 0.51 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kq4 h LEU 203 CO -0.15 1.01 -0.10 0.50 0.09 0.00 0.00 178.44 179.79 3kq4 h LYS 204 N 0.87 -0.27 -1.01 1.13 3.11 -0.82 -2.55 116.57 117.03 3kq4 h LYS 204 Ca 0.15 0.02 0.27 0.00 -2.81 0.00 0.00 60.65 58.28 3kq4 h LYS 204 Cb 0.55 0.06 -0.13 0.00 -1.00 0.00 0.00 32.23 31.71 3kq4 h LYS 204 CO 0.03 0.13 0.59 0.22 -2.81 0.00 0.00 179.45 177.61 3kq4 h ASP 205 N -0.83 0.62 0.41 4.20 1.82 -1.24 0.36 116.42 121.75 3kq4 h ASP 205 Ca -0.03 0.15 -0.15 0.00 -0.39 0.00 0.00 57.03 56.61 3kq4 h ASP 205 Cb 0.52 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 3kq4 h ASP 205 CO 0.05 0.03 -0.64 0.40 -1.61 0.00 0.00 179.24 177.47 3kq4 h ILE 206 N 0.50 1.40 0.00 2.25 2.04 -1.16 -2.66 117.51 119.88 3kq4 h ILE 206 Ca 0.67 -2.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.32 3kq4 h ILE 206 Cb 1.38 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.51 3kq4 h ILE 206 CO -0.51 0.61 -0.70 0.58 0.00 0.00 0.00 178.15 178.13 3kq4 h VAL 207 N 0.16 1.30 0.04 1.67 2.07 -0.54 -2.35 116.25 118.60 3kq4 h VAL 207 Ca -0.01 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 3kq4 h VAL 207 Cb 1.15 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3kq4 h VAL 207 CO 0.10 0.68 -0.02 -0.33 0.02 0.00 0.00 177.57 178.02 3kq4 h GLU 208 N 0.00 -0.05 -0.25 1.57 4.39 -1.24 -2.11 114.58 116.89 3kq4 h GLU 208 Ca -0.01 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 3kq4 h GLU 208 Cb 1.41 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.06 3kq4 h GLU 208 CO 0.09 0.33 0.42 0.87 -1.16 0.00 0.00 179.01 179.56 3kq4 h LYS 209 N -0.44 0.00 0.01 2.33 1.57 -1.28 -2.69 116.57 116.07 3kq4 h LYS 209 Ca -0.01 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 3kq4 h LYS 209 Cb 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3kq4 h LYS 209 CO 0.01 0.00 -1.39 -0.89 -0.57 0.00 0.00 179.45 176.61 3kq4 n ILE 210 N -3.36 1.56 -0.21 1.86 5.41 -0.90 -4.01 119.36 119.71 3kq4 n ILE 210 Ca 0.04 -0.10 0.12 0.00 1.00 0.00 0.00 62.75 63.80 3kq4 n ILE 210 Cb 0.55 -2.00 0.42 0.00 -0.71 0.00 0.00 39.64 37.89 3kq4 n ILE 210 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3kq4 h SER 211 N -0.89 0.56 0.00 4.38 4.64 -1.22 0.42 113.55 121.44 3kq4 h SER 211 Ca -0.37 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3kq4 h SER 211 Cb 1.39 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3kq4 h SER 211 CO -0.19 0.31 0.06 0.80 -0.87 0.00 0.00 176.83 176.94 3kq4 n MET 212 N -4.51 0.00 0.00 4.77 0.00 -1.03 -0.81 117.12 115.54 3kq4 n MET 212 Ca 0.15 0.22 0.00 0.00 -0.00 0.00 0.00 57.70 58.07 3kq4 n MET 212 Cb 0.44 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 32.09 3kq4 n MET 212 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3kq4 n LYS 213 N -1.17 -0.74 -2.24 2.12 4.76 0.15 -4.98 118.16 116.05 3kq4 n LYS 213 Ca 0.00 -0.43 -0.43 0.00 -2.87 0.00 0.00 58.31 54.58 3kq4 n LYS 213 Cb 0.06 -0.93 -0.02 0.00 -1.84 0.00 0.00 35.03 32.30 3kq4 n LYS 213 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kq4 s ILE 214 N -0.02 3.96 0.69 -0.18 1.01 0.01 -1.94 121.20 124.75 3kq4 s ILE 214 Ca 0.00 1.15 -0.13 0.00 0.00 0.00 0.00 60.65 61.67 3kq4 s ILE 214 Cb 0.00 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3kq4 s ILE 214 CO 0.00 -0.15 1.08 -0.54 0.00 0.00 0.00 174.94 175.34 3kq4 s LYS 215 N 3.86 2.73 0.00 2.79 3.01 0.29 -4.84 119.74 127.57 3kq4 s LYS 215 Ca 0.63 1.19 -0.01 0.00 -1.01 0.00 0.00 55.97 56.77 3kq4 s LYS 215 Cb -0.26 -1.95 -0.04 0.00 -1.01 0.00 0.00 37.83 34.56 3kq4 s LYS 215 CO 0.22 -1.28 1.45 -0.25 0.51 0.00 0.00 175.35 175.99 3kq4 n ASP 216 N -2.88 2.96 -0.11 2.83 9.92 -1.26 -2.33 116.55 125.68 3kq4 n ASP 216 Ca 0.09 -1.86 0.00 0.00 -0.53 0.00 0.00 54.79 52.49 3kq4 n ASP 216 Cb 0.53 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 3kq4 n ASP 216 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3kq4 n ASN 217 N 2.01 0.00 0.00 -2.24 0.23 -1.26 -5.04 115.26 108.97 3kq4 n ASN 217 Ca 0.07 -0.69 0.00 0.00 -0.53 0.00 0.00 54.58 53.43 3kq4 n ASN 217 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 3kq4 n ASN 217 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kq4 n GLY 218 N 0.00 0.67 3.77 4.83 0.00 -0.98 -4.87 105.19 108.62 3kq4 n GLY 218 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3kq4 n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kq4 s ILE 219 N -2.15 4.85 -0.30 -0.61 1.01 -1.26 -4.03 121.20 118.70 3kq4 s ILE 219 Ca 0.00 1.25 -0.09 0.00 0.00 0.00 0.00 60.65 61.81 3kq4 s ILE 219 Cb 0.00 -3.93 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 3kq4 s ILE 219 CO 0.00 0.45 0.13 -0.63 0.00 0.00 0.00 174.94 174.89 3kq4 s ILE 220 N -0.44 4.44 0.00 2.92 1.01 -1.26 0.10 121.20 127.97 3kq4 s ILE 220 Ca 0.31 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.49 3kq4 s ILE 220 Cb -0.19 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3kq4 s ILE 220 CO 0.18 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3kq4 n GLY 221 N 4.95 1.72 0.68 6.18 0.00 -0.82 -3.84 105.19 114.06 3kq4 n GLY 221 Ca -0.14 0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3kq4 n GLY 221 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kq4 n ASP 222 N 5.57 -0.20 0.44 1.61 5.75 -1.26 -4.95 116.55 123.51 3kq4 n ASP 222 Ca 0.00 -1.43 -0.17 0.00 -0.01 0.00 0.00 54.79 53.18 3kq4 n ASP 222 Cb 0.00 0.42 -0.08 0.00 -1.03 0.00 0.00 41.12 40.43 3kq4 n ASP 222 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3kq4 h ILE 223 N 1.22 0.00 0.00 2.12 5.03 -1.98 -2.28 117.51 121.62 3kq4 h ILE 223 Ca -0.05 -0.16 0.00 0.00 -0.12 0.00 0.00 64.86 64.53 3kq4 h ILE 223 Cb 0.25 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.04 3kq4 h ILE 223 CO 0.07 0.00 0.00 1.88 -0.68 0.00 0.00 178.15 179.42 3kq4 h TYR 224 N -1.30 0.00 -0.01 1.37 0.05 -1.95 0.19 116.97 115.33 3kq4 h TYR 224 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3kq4 h TYR 224 Cb 0.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.61 3kq4 h TYR 224 CO 0.00 0.00 -0.37 -1.13 -1.05 0.00 0.00 178.16 175.61 3kq4 n SER 225 N -2.83 0.88 -0.06 3.88 3.41 -1.19 -4.51 113.62 113.21 3kq4 n SER 225 Ca -0.00 -0.70 -0.16 0.00 -0.26 0.00 0.00 58.87 57.75 3kq4 n SER 225 Cb 0.21 0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 3kq4 n SER 225 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3kq4 h THR 226 N 0.80 1.30 -0.57 6.66 2.02 0.00 -3.04 112.91 120.08 3kq4 h THR 226 Ca 0.00 -1.76 0.05 0.00 0.77 0.00 0.00 66.41 65.47 3kq4 h THR 226 Cb 0.51 1.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 3kq4 h THR 226 CO 0.00 0.56 0.30 1.23 0.37 0.00 0.00 175.52 177.97 3kq4 h GLY 227 N 0.46 0.81 0.72 2.16 0.00 -1.77 0.31 103.07 105.76 3kq4 h GLY 227 Ca -0.01 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3kq4 h GLY 227 CO 0.12 0.12 -0.03 1.41 0.00 0.00 0.00 176.54 178.16 3kq4 h LEU 228 N 0.56 -0.12 -1.41 3.11 3.38 -1.61 -2.67 115.31 116.56 3kq4 h LEU 228 Ca 0.25 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.29 3kq4 h LEU 228 Cb 0.16 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3kq4 h LEU 228 CO -0.17 -0.04 0.42 0.00 0.09 0.00 0.00 178.44 178.74 3kq4 h ALA 229 N 1.14 1.63 -0.62 1.53 0.00 -1.27 -2.18 119.26 119.49 3kq4 h ALA 229 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kq4 h ALA 229 Cb 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3kq4 h ALA 229 CO -0.15 0.31 0.33 0.52 0.00 0.00 0.00 179.25 180.26 3kq4 h MET 230 N 0.78 0.88 0.10 0.00 2.86 -0.61 -1.65 114.93 117.29 3kq4 h MET 230 Ca 0.25 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 3kq4 h MET 230 Cb 0.03 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 3kq4 h MET 230 CO -0.06 0.68 -0.33 1.96 1.06 0.00 0.00 176.91 180.21 3kq4 h GLN 231 N 0.85 -0.53 -0.51 1.72 4.20 -1.26 -2.62 115.11 116.96 3kq4 h GLN 231 Ca 0.22 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.06 3kq4 h GLN 231 Cb 0.07 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 27.87 3kq4 h GLN 231 CO -0.03 -0.35 -0.28 0.00 -0.67 0.00 0.00 178.83 177.50 3kq4 h ALA 232 N 0.09 0.03 -0.10 3.87 0.00 -1.01 -2.69 119.26 119.44 3kq4 h ALA 232 Ca 0.03 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3kq4 h ALA 232 Cb 0.59 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3kq4 h ALA 232 CO -0.21 -0.62 -0.42 -0.07 0.00 0.00 0.00 179.25 177.93 3kq4 h LEU 233 N -0.15 0.24 -2.19 0.00 3.38 -1.21 -2.02 115.31 113.36 3kq4 h LEU 233 Ca 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kq4 h LEU 233 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kq4 h LEU 233 CO -0.60 0.64 0.00 -1.54 0.09 0.00 0.00 178.44 177.03 3kq4 n SER 234 N -4.02 3.21 0.00 -0.43 3.41 -1.00 -4.20 113.62 110.59 3kq4 n SER 234 Ca -0.02 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 3kq4 n SER 234 Cb 0.49 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3kq4 n SER 234 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kq4 n VAL 235 N 0.30 0.00 -1.89 -3.33 0.31 -1.05 -5.04 118.33 107.63 3kq4 n VAL 235 Ca 0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.08 3kq4 n VAL 235 Cb 0.69 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.65 3kq4 n VAL 235 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3kq4 s THR 236 N -1.00 2.29 0.20 2.52 -4.23 -0.79 -4.92 115.64 109.71 3kq4 s THR 236 Ca 0.00 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.65 3kq4 s THR 236 Cb 0.00 -3.12 0.11 0.00 1.34 0.00 0.00 72.50 70.83 3kq4 s THR 236 CO 0.00 0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.14 3kq4 h PRO 237 N 1.74 1.13 -4.80 3.99 0.11 -1.94 -3.41 132.00 128.82 3kq4 h PRO 237 Ca -0.51 -0.29 -0.68 0.00 0.11 0.00 0.00 66.00 64.64 3kq4 h PRO 237 Cb 1.28 -0.14 -0.31 0.00 0.11 0.00 0.00 31.00 31.94 3kq4 h PRO 237 CO 0.59 1.01 -0.69 -2.00 -0.21 0.00 0.00 178.00 176.70 3kq4 s GLU 238 N -5.26 2.69 0.93 1.05 2.56 -1.26 -5.11 118.70 114.30 3kq4 s GLU 238 Ca -0.12 -1.10 -0.11 0.00 0.00 0.00 0.00 54.97 53.64 3kq4 s GLU 238 Cb 0.15 -3.20 0.15 0.00 2.00 0.00 0.00 34.13 33.23 3kq4 s GLU 238 CO 0.85 -0.53 1.10 -2.14 -0.56 0.00 0.00 175.26 173.98 3kq4 s PRO 239 N 1.34 0.91 0.56 4.30 0.02 -1.26 -4.82 135.00 136.05 3kq4 s PRO 239 Ca -0.02 1.16 -0.17 0.00 0.02 0.00 0.00 61.00 61.99 3kq4 s PRO 239 Cb -0.18 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 3kq4 s PRO 239 CO -0.01 -2.58 1.05 -1.54 -0.33 0.00 0.00 177.00 173.59 3kq4 s SER 240 N -2.96 6.02 0.00 2.53 1.04 -1.26 -5.00 113.70 114.06 3kq4 s SER 240 Ca 0.65 1.82 0.00 0.00 0.48 0.00 0.00 55.95 58.90 3kq4 s SER 240 Cb -0.21 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3kq4 s SER 240 CO 0.59 -1.00 0.70 0.29 0.98 0.00 0.00 173.24 174.79 3kq4 n LYS 241 N -1.70 0.00 -1.57 4.02 5.02 -1.26 -3.99 118.16 118.68 3kq4 n LYS 241 Ca 0.09 0.45 -0.46 0.00 -2.02 0.00 0.00 58.31 56.36 3kq4 n LYS 241 Cb 0.53 -1.20 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 3kq4 n LYS 241 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kq4 n LYS 242 N -1.45 1.77 -2.12 1.97 4.81 -1.26 -4.88 118.16 117.00 3kq4 n LYS 242 Ca 0.00 0.53 -0.42 0.00 -0.87 0.00 0.00 58.31 57.56 3kq4 n LYS 242 Cb 0.00 -2.87 -0.03 0.00 0.02 0.00 0.00 35.03 32.15 3kq4 n LYS 242 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3kq4 s GLU 243 N 5.80 4.32 -0.04 1.64 2.12 -1.26 -4.96 118.70 126.33 3kq4 s GLU 243 Ca 1.02 2.16 -0.30 0.00 0.36 0.00 0.00 54.97 58.21 3kq4 s GLU 243 Cb -0.57 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 3kq4 s GLU 243 CO 0.43 -0.36 1.17 -0.46 -0.54 0.00 0.00 175.26 175.50 3kq4 s TRP 244 N 0.30 3.28 -1.37 5.30 -0.00 -1.26 -4.94 118.94 120.26 3kq4 s TRP 244 Ca 0.60 1.29 -0.14 0.00 -0.00 0.00 0.00 56.10 57.85 3kq4 s TRP 244 Cb -0.39 -3.38 0.08 0.00 -0.00 0.00 0.00 33.47 29.78 3kq4 s TRP 244 CO 0.38 -1.14 1.98 -1.71 -0.00 0.00 0.00 176.95 176.47 3kq4 n ASN 245 N 4.91 4.46 -0.06 5.86 2.85 -1.26 -4.83 115.26 127.19 3kq4 n ASN 245 Ca 0.10 -2.92 -0.07 0.00 -0.11 0.00 0.00 54.58 51.58 3kq4 n ASN 245 Cb 0.47 -1.64 -0.01 0.00 1.24 0.00 0.00 39.78 39.83 3kq4 n ASN 245 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kq4 h LYS 247 N -0.13 0.76 0.15 0.00 3.64 -1.88 0.49 116.57 119.59 3kq4 h LYS 247 Ca 0.14 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3kq4 h LYS 247 Cb 0.35 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3kq4 h LYS 247 CO -0.34 0.50 -0.20 -0.22 -2.27 0.00 0.00 179.45 176.91 3kq4 h LYS 248 N 0.78 -0.39 -0.14 1.90 3.64 -1.69 -1.34 116.57 119.32 3kq4 h LYS 248 Ca 0.53 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.95 3kq4 h LYS 248 Cb 0.74 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3kq4 h LYS 248 CO -0.35 -0.26 0.05 1.15 -2.27 0.00 0.00 179.45 177.77 3kq4 h THR 249 N -0.41 0.98 0.00 1.00 2.02 -0.84 0.13 112.91 115.79 3kq4 h THR 249 Ca 0.02 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3kq4 h THR 249 Cb 0.41 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3kq4 h THR 249 CO -0.09 0.02 -0.12 0.00 0.37 0.00 0.00 175.52 175.71 3kq4 h THR 250 N 0.13 0.71 0.19 3.16 1.03 -1.09 -0.14 112.91 116.90 3kq4 h THR 250 Ca 0.06 -0.47 -0.31 0.00 -0.01 0.00 0.00 66.41 65.68 3kq4 h THR 250 Cb 0.02 1.28 0.03 0.00 -1.07 0.00 0.00 68.15 68.41 3kq4 h THR 250 CO -0.05 0.11 -1.36 0.44 -0.01 0.00 0.00 175.52 174.65 3kq4 h ASP 251 N 0.00 0.75 -0.19 0.00 5.19 -0.55 -2.96 116.42 118.65 3kq4 h ASP 251 Ca -0.00 -0.77 -0.00 0.00 -0.62 0.00 0.00 57.03 55.64 3kq4 h ASP 251 Cb 0.27 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 3kq4 h ASP 251 CO 0.02 1.59 0.11 -0.03 -3.12 0.00 0.00 179.24 177.81 3kq4 h MET 252 N 0.16 0.26 -0.69 3.56 4.05 -0.21 -2.02 114.93 120.04 3kq4 h MET 252 Ca -0.21 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.22 3kq4 h MET 252 Cb 2.06 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 32.76 3kq4 h MET 252 CO 0.25 0.23 0.46 0.82 0.23 0.00 0.00 176.91 178.90 3kq4 h ILE 253 N 0.22 1.10 0.10 1.77 1.08 -1.14 -2.15 117.51 118.48 3kq4 h ILE 253 Ca 0.07 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3kq4 h ILE 253 Cb 0.04 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 33.99 3kq4 h ILE 253 CO -0.01 0.15 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.48 3kq4 h LEU 254 N 0.83 -0.11 -1.55 1.44 3.38 -1.23 -2.75 115.31 115.33 3kq4 h LEU 254 Ca 0.28 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3kq4 h LEU 254 Cb 0.06 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3kq4 h LEU 254 CO -0.08 0.20 0.42 0.78 0.09 0.00 0.00 178.44 179.85 3kq4 h ASN 255 N -0.42 0.47 0.43 -0.43 2.35 -1.22 -1.10 115.58 115.66 3kq4 h ASN 255 Ca -0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kq4 h ASN 255 Cb 0.35 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3kq4 h ASN 255 CO 0.02 0.30 0.00 1.21 -1.65 0.00 0.00 177.43 177.31 3kq4 n GLU 256 N -4.48 0.10 -0.02 0.81 4.07 -0.83 -1.73 120.64 118.56 3kq4 n GLU 256 Ca 0.10 0.19 -0.19 0.00 -0.06 0.00 0.00 57.16 57.19 3kq4 n GLU 256 Cb 0.30 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 30.05 3kq4 n GLU 256 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3kq4 n ILE 257 N -1.41 1.71 -0.20 6.31 5.41 -0.43 -3.20 119.36 127.55 3kq4 n ILE 257 Ca 0.05 -0.66 0.18 0.00 1.00 0.00 0.00 62.75 63.32 3kq4 n ILE 257 Cb 0.16 -1.59 0.52 0.00 -0.71 0.00 0.00 39.64 38.01 3kq4 n ILE 257 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3kq4 h LYS 258 N 0.05 0.38 -0.14 0.38 1.57 -1.22 -1.50 116.57 116.10 3kq4 h LYS 258 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3kq4 h LYS 258 Cb 2.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.24 3kq4 h LYS 258 CO 0.05 0.25 0.00 1.04 -0.57 0.00 0.00 179.45 180.23 3kq4 n GLN 259 N -4.49 1.37 -1.01 3.15 1.13 -0.85 -4.94 117.38 111.74 3kq4 n GLN 259 Ca 0.17 -0.57 -0.00 0.00 -1.94 0.00 0.00 57.00 54.66 3kq4 n GLN 259 Cb 0.63 -1.19 -0.00 0.00 0.11 0.00 0.00 30.24 29.79 3kq4 n GLN 259 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kq4 n GLY 260 N 0.81 0.32 0.30 1.08 0.00 -0.56 -4.89 105.19 102.25 3kq4 n GLY 260 Ca 0.08 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.27 3kq4 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kq4 h LYS 261 N 0.54 0.00 -2.30 1.61 1.79 -1.77 -3.32 116.57 113.13 3kq4 h LYS 261 Ca -0.01 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.73 3kq4 h LYS 261 Cb 0.44 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 30.76 3kq4 h LYS 261 CO 0.01 0.00 0.42 1.19 -1.08 0.00 0.00 179.45 179.99 3kq4 n PHE 262 N -3.08 3.20 -0.06 -1.35 3.72 -1.26 -4.66 117.46 113.96 3kq4 n PHE 262 Ca -0.01 -3.08 -0.12 0.00 -0.05 0.00 0.00 57.45 54.19 3kq4 n PHE 262 Cb 0.22 -0.95 -0.14 0.00 -0.94 0.00 0.00 39.48 37.67 3kq4 n PHE 262 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 3kq4 n HIS 263 N -0.03 0.52 -2.12 1.38 1.44 -1.25 -4.82 115.22 110.34 3kq4 n HIS 263 Ca 0.40 0.16 -0.43 0.00 -2.01 0.00 0.00 57.72 55.84 3kq4 n HIS 263 Cb 0.31 -1.09 -0.03 0.00 0.12 0.00 0.00 29.99 29.31 3kq4 n HIS 263 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 3kq4 s ASN 264 N -6.08 6.44 0.60 4.39 3.84 -1.26 -4.89 114.94 117.97 3kq4 s ASN 264 Ca -0.14 1.68 0.30 0.00 0.21 0.00 0.00 52.86 54.91 3kq4 s ASN 264 Cb 0.07 -2.53 1.76 0.00 -0.55 0.00 0.00 41.25 40.00 3kq4 s ASN 264 CO 0.78 -1.20 2.16 1.55 -2.79 0.00 0.00 177.10 177.61 3kq4 h PRO 265 N 10.46 0.00 -0.31 0.43 0.13 -1.90 0.13 132.00 140.93 3kq4 h PRO 265 Ca -0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 3kq4 h PRO 265 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3kq4 h PRO 265 CO 1.00 0.00 -0.15 1.98 -0.23 0.00 0.00 178.00 180.59 3kq4 h MET 266 N 0.00 0.66 0.00 0.86 1.85 -1.90 -1.76 114.93 114.64 3kq4 h MET 266 Ca 0.05 -0.29 -0.05 0.00 -0.61 0.00 0.00 59.70 58.80 3kq4 h MET 266 Cb 0.31 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 3kq4 h MET 266 CO -0.00 0.88 -0.23 0.66 -0.40 0.00 0.00 176.91 177.81 3kq4 h SER 267 N 0.42 0.00 -0.03 1.39 4.64 -1.14 -1.17 113.55 117.66 3kq4 h SER 267 Ca 0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3kq4 h SER 267 Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3kq4 h SER 267 CO 0.05 0.23 -0.04 0.40 -0.87 0.00 0.00 176.83 176.60 3kq4 h ILE 268 N 0.00 1.40 -0.65 0.95 2.04 -1.34 -2.98 117.51 116.92 3kq4 h ILE 268 Ca -0.00 -1.24 0.18 0.00 1.00 0.00 0.00 64.86 64.80 3kq4 h ILE 268 Cb 0.56 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 3kq4 h ILE 268 CO 0.03 0.33 0.47 0.00 0.00 0.00 0.00 178.15 178.98 3kq4 h ALA 269 N 0.51 2.55 -0.00 1.87 0.00 -0.33 0.40 119.26 124.27 3kq4 h ALA 269 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kq4 h ALA 269 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kq4 h ALA 269 CO 0.01 -0.74 -0.34 1.04 0.00 0.00 0.00 179.25 179.22 3kq4 n GLN 270 N -4.36 0.07 -0.03 0.00 6.02 -0.66 -4.13 117.38 114.29 3kq4 n GLN 270 Ca 0.13 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3kq4 n GLN 270 Cb 0.69 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.37 3kq4 n GLN 270 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3kq4 n ILE 271 N -1.44 0.36 -0.31 5.09 -5.35 -0.08 -3.58 119.36 114.05 3kq4 n ILE 271 Ca 0.07 -0.35 0.09 0.00 -0.27 0.00 0.00 62.75 62.29 3kq4 n ILE 271 Cb 0.33 -0.24 0.21 0.00 -1.74 0.00 0.00 39.64 38.20 3kq4 n ILE 271 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3kq4 h LEU 272 N 0.00 -0.54 -0.41 7.28 6.46 -0.45 -1.18 115.31 126.47 3kq4 h LEU 272 Ca -0.14 0.25 0.04 0.00 -0.12 0.00 0.00 57.88 57.91 3kq4 h LEU 272 Cb 1.08 0.47 -0.04 0.00 -0.73 0.00 0.00 40.66 41.44 3kq4 h LEU 272 CO 0.01 -0.29 0.18 -0.65 -0.62 0.00 0.00 178.44 177.07 3kq4 h PRO 273 N 0.04 0.35 -0.01 5.25 0.11 -1.83 -0.65 132.00 135.25 3kq4 h PRO 273 Ca 0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.59 3kq4 h PRO 273 Cb 0.93 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kq4 h PRO 273 CO -0.85 0.23 0.01 0.77 -0.21 0.00 0.00 178.00 177.94 3kq4 h SER 274 N 0.36 0.01 -0.52 -2.05 0.02 -1.27 0.44 113.55 110.54 3kq4 h SER 274 Ca 0.18 -0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.22 3kq4 h SER 274 Cb 0.13 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3kq4 h SER 274 CO -0.16 0.07 0.39 -0.07 -1.14 0.00 0.00 176.83 175.92 3kq4 h LEU 275 N -0.05 0.00 -2.01 5.07 3.38 -1.01 0.96 115.31 121.66 3kq4 h LEU 275 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kq4 h LEU 275 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kq4 h LEU 275 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3kq4 n LYS 276 N -4.32 2.27 -3.05 1.13 4.76 -0.28 -4.66 118.16 114.02 3kq4 n LYS 276 Ca 0.10 -1.97 -0.13 0.00 -2.87 0.00 0.00 58.31 53.44 3kq4 n LYS 276 Cb 0.61 -1.44 0.05 0.00 -1.84 0.00 0.00 35.03 32.41 3kq4 n LYS 276 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kq4 n GLY 277 N 1.38 0.03 3.28 0.72 0.00 0.33 -5.04 105.19 105.90 3kq4 n GLY 277 Ca 0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3kq4 n GLY 277 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kq4 s LYS 278 N -5.46 1.31 0.10 1.61 -0.14 0.13 -4.97 119.74 112.32 3kq4 s LYS 278 Ca 0.23 -1.69 -0.04 0.00 -1.36 0.00 0.00 55.97 53.11 3kq4 s LYS 278 Cb -0.10 -0.17 -0.03 0.00 -1.68 0.00 0.00 37.83 35.85 3kq4 s LYS 278 CO 0.43 -0.28 0.10 0.95 -0.76 0.00 0.00 175.35 175.79 3kq4 s THR 279 N -3.80 0.15 -0.37 2.17 -4.23 -1.26 -3.42 115.64 104.87 3kq4 s THR 279 Ca 0.35 -1.61 0.12 0.00 -1.18 0.00 0.00 61.69 59.36 3kq4 s THR 279 Cb 0.07 -1.66 0.12 0.00 1.34 0.00 0.00 72.50 72.37 3kq4 s THR 279 CO 0.11 -0.66 1.30 -1.22 -0.54 0.00 0.00 174.62 173.61 3kq4 n TYR 280 N -0.04 0.40 0.36 3.99 4.01 -1.26 -0.84 117.16 123.78 3kq4 n TYR 280 Ca -0.11 0.21 0.14 0.00 -0.16 0.00 0.00 57.90 57.98 3kq4 n TYR 280 Cb 0.62 -0.75 0.51 0.00 -0.31 0.00 0.00 39.34 39.41 3kq4 n TYR 280 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3kq4 h LEU 281 N 0.00 0.00 -2.15 7.72 3.38 -1.96 -2.95 115.31 119.35 3kq4 h LEU 281 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kq4 h LEU 281 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kq4 h LEU 281 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3kq4 n ASP 282 N -2.68 3.18 -0.15 -0.43 8.00 -0.02 -4.39 116.55 120.06 3kq4 n ASP 282 Ca 0.02 -1.96 -0.07 0.00 0.71 0.00 0.00 54.79 53.50 3kq4 n ASP 282 Cb 0.33 -0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.16 3kq4 n ASP 282 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3kq4 h VAL 283 N 3.90 1.09 0.00 2.53 2.07 -1.68 -1.61 116.25 122.55 3kq4 h VAL 283 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kq4 h VAL 283 Cb 0.87 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3kq4 h VAL 283 CO 0.00 0.11 0.01 -0.65 0.02 0.00 0.00 177.57 177.06 3kq4 h PRO 284 N 0.58 0.00 -0.13 1.57 0.11 -1.84 -2.26 132.00 130.03 3kq4 h PRO 284 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kq4 h PRO 284 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3kq4 h PRO 284 CO -0.06 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.77 3kq4 n GLN 285 N -3.03 1.99 -1.63 1.05 3.00 -0.62 -4.96 117.38 113.18 3kq4 n GLN 285 Ca -0.03 -1.47 -0.46 0.00 -0.01 0.00 0.00 57.00 55.03 3kq4 n GLN 285 Cb 0.08 -1.46 -0.03 0.00 0.00 0.00 0.00 30.24 28.83 3kq4 n GLN 285 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3kq4 n VAL 286 N 0.73 1.15 -3.83 5.09 0.31 -0.85 -5.00 118.33 115.94 3kq4 n VAL 286 Ca 0.17 -0.29 -0.26 0.00 -0.01 0.00 0.00 64.34 63.95 3kq4 n VAL 286 Cb 0.45 -1.21 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 3kq4 n VAL 286 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kq4 s THR 287 N -0.31 5.27 -0.11 2.52 2.01 -1.26 -4.99 115.64 118.76 3kq4 s THR 287 Ca 0.68 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.13 3kq4 s THR 287 Cb -0.72 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.05 3kq4 s THR 287 CO 0.53 -0.15 -0.17 0.00 -0.69 0.00 0.00 174.62 174.13 3kq4 n SER 289 N 4.07 -4.26 -0.04 0.00 2.88 -1.26 -5.02 113.62 109.99 3kq4 n SER 289 Ca -0.20 -0.09 -0.04 0.00 -1.33 0.00 0.00 58.87 57.21 3kq4 n SER 289 Cb 0.51 -2.68 0.18 0.00 -0.75 0.00 0.00 64.21 61.47 3kq4 n SER 289 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kq4 h PRO 290 N 0.04 0.63 -2.34 -1.46 0.11 -1.98 -3.49 132.00 123.52 3kq4 h PRO 290 Ca -0.06 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3kq4 h PRO 290 Cb 1.03 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3kq4 h PRO 290 CO 0.14 0.76 0.00 -0.25 -0.21 0.00 0.00 178.00 178.43 3kq4 n ASP 291 N -4.16 -1.56 -4.71 -2.05 8.00 -1.26 -5.05 116.55 105.76 3kq4 n ASP 291 Ca 0.01 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.21 3kq4 n ASP 291 Cb 0.36 -0.62 0.14 0.00 -0.02 0.00 0.00 41.12 40.98 3kq4 n ASP 291 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3kq4 s HIS 292 N -2.78 2.21 0.27 1.24 3.76 -1.26 -5.01 115.29 113.72 3kq4 s HIS 292 Ca 0.00 1.42 -0.23 0.00 -0.15 0.00 0.00 55.06 56.11 3kq4 s HIS 292 Cb 0.00 -3.15 -0.09 0.00 1.11 0.00 0.00 32.58 30.45 3kq4 s HIS 292 CO 0.00 -2.40 0.83 -1.83 -0.85 0.00 0.00 174.74 170.50 3kq4 s GLU 293 N -4.84 4.41 -0.15 1.40 -1.05 -1.26 -5.00 118.70 112.21 3kq4 s GLU 293 Ca 0.64 1.09 -0.29 0.00 -0.15 0.00 0.00 54.97 56.26 3kq4 s GLU 293 Cb -0.19 -2.83 -0.03 0.00 -0.44 0.00 0.00 34.13 30.64 3kq4 s GLU 293 CO 0.57 0.33 1.54 0.14 0.95 0.00 0.00 175.26 178.79 3kq4 s VAL 294 N -1.58 3.81 -0.54 1.83 -7.23 -1.26 -4.87 120.40 110.55 3kq4 s VAL 294 Ca 0.47 0.95 -0.28 0.00 -1.81 0.00 0.00 61.98 61.30 3kq4 s VAL 294 Cb -0.17 -3.70 0.03 0.00 0.56 0.00 0.00 36.38 33.10 3kq4 s VAL 294 CO 0.22 -0.18 1.21 -1.58 -0.31 0.00 0.00 175.10 174.47 3kq4 s GLN 295 N 4.14 3.56 0.63 4.82 2.00 -1.26 -4.98 119.66 128.57 3kq4 s GLN 295 Ca 0.68 0.39 -0.17 0.00 -2.00 0.00 0.00 55.36 54.25 3kq4 s GLN 295 Cb -0.27 -4.00 -0.06 0.00 0.80 0.00 0.00 33.01 29.48 3kq4 s GLN 295 CO 0.26 -1.62 0.59 -2.30 -0.50 0.00 0.00 175.29 171.72 3kq4 n PRO 296 N 8.29 0.49 -1.69 1.67 -0.02 -1.26 -4.87 135.00 137.61 3kq4 n PRO 296 Ca 0.10 0.20 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3kq4 n PRO 296 Cb 0.49 -1.82 -0.01 0.00 -0.02 0.00 0.00 33.50 32.14 3kq4 n PRO 296 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3kq4 n THR 297 N -1.95 1.71 -3.07 3.45 -1.04 -1.26 -4.95 114.28 107.16 3kq4 n THR 297 Ca 0.11 -0.43 -0.18 0.00 -2.04 0.00 0.00 64.05 61.51 3kq4 n THR 297 Cb 0.48 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 67.45 3kq4 n THR 297 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kq4 n LEU 298 N 1.18 1.51 -4.44 -4.42 4.77 -1.26 -5.30 117.00 109.03 3kq4 n LEU 298 Ca 0.07 -4.95 -0.30 0.00 -0.03 0.00 0.00 56.01 50.80 3kq4 n LEU 298 Cb 0.35 0.48 0.22 0.00 -2.33 0.00 0.00 43.42 42.14 3kq4 n LEU 298 CO 0.62 2.21 0.24 -2.65 -1.33 0.00 0.00 177.39 176.48 3kq4 n PRO 299 N 0.15 -1.94 -0.15 3.23 -0.02 -1.26 -5.25 135.00 129.76 3kq4 n PRO 299 Ca 0.24 -0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 3kq4 n PRO 299 Cb 0.64 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3kq4 n PRO 299 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kq4 n SER 308 N -3.91 -0.39 0.00 2.55 7.64 -1.26 -5.36 113.62 112.89 3kq4 n SER 308 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3kq4 n SER 308 Cb 0.56 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 3kq4 n SER 308 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kq4 n ALA 309 N -0.58 0.00 -1.91 -0.43 0.00 -1.26 -5.11 120.51 111.22 3kq4 n ALA 309 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3kq4 n ALA 309 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3kq4 n ALA 309 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kq4 s SER 310 N 0.00 6.41 0.38 0.00 0.01 -1.26 -3.98 113.70 115.27 3kq4 s SER 310 Ca 0.00 2.16 -0.28 0.00 1.31 0.00 0.00 55.95 59.14 3kq4 s SER 310 Cb 0.00 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.59 3kq4 s SER 310 CO 0.00 -1.15 1.46 -3.20 0.41 0.00 0.00 173.24 170.76 3kq4 n ASN 311 N 8.04 3.65 -4.97 2.44 2.85 -1.26 -4.31 115.26 121.70 3kq4 n ASN 311 Ca 0.20 1.22 -0.19 0.00 -0.11 0.00 0.00 54.58 55.69 3kq4 n ASN 311 Cb 0.43 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.85 3kq4 n ASN 311 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3kq4 s ILE 312 N -1.12 2.68 -0.05 -1.44 1.01 -0.78 -4.72 121.20 116.78 3kq4 s ILE 312 Ca 0.54 -1.13 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3kq4 s ILE 312 Cb -0.48 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 3kq4 s ILE 312 CO 0.63 0.00 -0.17 0.42 0.00 0.00 0.00 174.94 175.82 3kq4 s THR 313 N -2.46 2.83 -0.02 2.92 -4.23 -1.24 -0.56 115.64 112.87 3kq4 s THR 313 Ca 0.53 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 60.26 3kq4 s THR 313 Cb -0.07 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.68 3kq4 s THR 313 CO 0.32 0.58 -0.10 -0.69 -0.54 0.00 0.00 174.62 174.19 3kq4 s VAL 314 N -0.56 0.83 -0.28 2.29 1.01 -0.68 -3.77 120.40 119.23 3kq4 s VAL 314 Ca 0.08 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 3kq4 s VAL 314 Cb -0.11 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3kq4 s VAL 314 CO 0.01 0.25 0.45 -0.63 0.00 0.00 0.00 175.10 175.18 3kq4 s ILE 315 N 0.12 5.11 -0.33 2.22 1.01 -0.28 -2.06 121.20 127.00 3kq4 s ILE 315 Ca -0.02 0.67 0.04 0.00 0.00 0.00 0.00 60.65 61.34 3kq4 s ILE 315 Cb -0.08 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.70 3kq4 s ILE 315 CO 0.00 0.08 0.03 -0.47 0.00 0.00 0.00 174.94 174.59 3kq4 s TYR 316 N 2.21 3.57 0.24 3.97 5.04 0.77 -0.23 117.35 132.91 3kq4 s TYR 316 Ca 0.18 -2.83 -0.17 0.00 -2.44 0.00 0.00 57.07 51.82 3kq4 s TYR 316 Cb -0.16 -2.71 -0.08 0.00 0.35 0.00 0.00 41.96 39.37 3kq4 s TYR 316 CO 0.10 -0.93 0.68 0.99 -1.34 0.00 0.00 175.55 175.05 3kq4 s THR 317 N 0.97 4.68 -0.23 4.34 2.01 0.23 -2.47 115.64 125.18 3kq4 s THR 317 Ca 0.08 1.04 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 3kq4 s THR 317 Cb -0.19 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 68.65 3kq4 s THR 317 CO -0.08 0.08 0.10 0.27 -0.69 0.00 0.00 174.62 174.30 3kq4 s ILE 318 N -1.66 0.08 -0.20 1.82 -4.36 -0.78 -1.41 121.20 114.70 3kq4 s ILE 318 Ca 0.45 -0.52 -0.02 0.00 -0.26 0.00 0.00 60.65 60.31 3kq4 s ILE 318 Cb -0.14 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.71 3kq4 s ILE 318 CO 0.20 -0.45 -0.11 0.21 0.24 0.00 0.00 174.94 175.02 3kq4 s ASN 319 N 2.04 3.80 -0.22 4.36 2.47 -0.67 -3.84 114.94 122.89 3kq4 s ASN 319 Ca 0.05 -0.49 -0.05 0.00 0.42 0.00 0.00 52.86 52.79 3kq4 s ASN 319 Cb -0.16 -1.62 -0.02 0.00 -1.45 0.00 0.00 41.25 38.00 3kq4 s ASN 319 CO -0.20 0.00 -0.02 0.21 -3.72 0.00 0.00 177.10 173.38 3kq4 s ASN 320 N 1.32 4.55 -0.12 -4.21 2.47 -0.96 -2.42 114.94 115.57 3kq4 s ASN 320 Ca 0.04 -0.31 0.18 0.00 0.42 0.00 0.00 52.86 53.19 3kq4 s ASN 320 Cb -0.14 -1.79 0.43 0.00 -1.45 0.00 0.00 41.25 38.31 3kq4 s ASN 320 CO -0.06 0.00 1.19 0.00 -3.72 0.00 0.00 177.10 174.51 3kq4 n GLN 321 N 4.65 0.97 0.00 0.43 10.64 -1.26 -2.17 117.38 130.64 3kq4 n GLN 321 Ca -0.18 -2.77 0.00 0.00 -1.83 0.00 0.00 57.00 52.22 3kq4 n GLN 321 Cb 0.51 -0.93 0.00 0.00 -0.86 0.00 0.00 30.24 28.96 3kq4 n GLN 321 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3kq4 n LEU 322 N -0.36 0.06 -4.59 2.61 0.00 -1.26 -5.07 117.00 108.39 3kq4 n LEU 322 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.75 3kq4 n LEU 322 Cb 0.91 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 44.25 3kq4 n LEU 322 CO -0.02 0.01 0.20 -0.13 0.00 0.00 0.00 177.39 177.45 3kq4 s ARG 323 N -1.03 3.89 2.81 1.96 1.81 -1.26 -4.98 118.95 122.14 3kq4 s ARG 323 Ca 0.00 0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 3kq4 s ARG 323 Cb 0.00 -3.71 0.00 0.00 -0.45 0.00 0.00 34.95 30.79 3kq4 s ARG 323 CO 0.00 -0.44 0.00 0.41 -0.68 0.00 0.00 175.30 174.59 3kq4 n GLY 324 N 4.61 0.92 2.75 -3.53 0.00 -1.26 -3.77 105.19 104.90 3kq4 n GLY 324 Ca -0.05 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3kq4 n GLY 324 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kq4 n VAL 325 N 0.00 3.38 -3.15 1.61 0.24 -1.26 -4.86 118.33 114.29 3kq4 n VAL 325 Ca 0.00 -5.55 0.04 0.00 -2.04 0.00 0.00 64.34 56.79 3kq4 n VAL 325 Cb 0.00 -1.69 -0.00 0.00 -1.47 0.00 0.00 33.84 30.68 3kq4 n VAL 325 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3kq4 s GLU 326 N -3.22 0.53 0.32 7.34 1.03 -1.25 -5.18 118.70 118.28 3kq4 s GLU 326 Ca 0.44 0.65 0.06 0.00 0.03 0.00 0.00 54.97 56.15 3kq4 s GLU 326 Cb 0.21 0.33 -0.03 0.00 -0.80 0.00 0.00 34.13 33.84 3kq4 s GLU 326 CO -0.08 -0.87 0.28 -0.48 -1.33 0.00 0.00 175.26 172.78 3kq4 s LEU 327 N 2.85 1.65 0.08 1.83 0.05 -1.26 -4.85 118.68 119.03 3kq4 s LEU 327 Ca 0.14 -1.71 -0.06 0.00 0.05 0.00 0.00 54.13 52.55 3kq4 s LEU 327 Cb -0.11 0.59 -0.01 0.00 -2.05 0.00 0.00 46.19 44.61 3kq4 s LEU 327 CO -0.24 -1.05 0.12 -1.48 -0.55 0.00 0.00 176.35 173.14 3kq4 s LEU 328 N -3.35 1.77 0.00 1.48 2.34 -0.92 -4.95 118.68 115.05 3kq4 s LEU 328 Ca 0.40 -0.77 0.00 0.00 0.06 0.00 0.00 54.13 53.82 3kq4 s LEU 328 Cb 0.03 0.76 0.00 0.00 -0.56 0.00 0.00 46.19 46.42 3kq4 s LEU 328 CO 0.26 -0.69 0.04 0.33 -1.06 0.00 0.00 176.35 175.23 3kq4 n PHE 329 N -0.01 0.00 -1.39 3.48 7.35 -1.25 -2.27 117.46 123.37 3kq4 n PHE 329 Ca -0.15 0.00 -0.59 0.00 -0.76 0.00 0.00 57.45 55.96 3kq4 n PHE 329 Cb 0.62 0.04 -0.10 0.00 0.35 0.00 0.00 39.48 40.38 3kq4 n PHE 329 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3kq4 n ASN 330 N 0.00 1.22 -4.97 -2.13 3.02 -1.25 -4.55 115.26 106.60 3kq4 n ASN 330 Ca 0.00 0.71 -0.21 0.00 -0.03 0.00 0.00 54.58 55.05 3kq4 n ASN 330 Cb 0.29 -0.99 -0.02 0.00 -0.61 0.00 0.00 39.78 38.45 3kq4 n ASN 330 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kq4 s GLU 331 N 5.50 3.41 0.22 3.52 8.01 -1.26 -1.86 118.70 136.24 3kq4 s GLU 331 Ca 1.14 -0.75 -0.19 0.00 0.01 0.00 0.00 54.97 55.18 3kq4 s GLU 331 Cb -1.33 -2.87 0.03 0.00 -4.31 0.00 0.00 34.13 25.65 3kq4 s GLU 331 CO 0.64 0.38 0.59 -0.08 0.01 0.00 0.00 175.26 176.80 3kq4 s THR 332 N -2.02 0.01 0.00 3.63 -1.32 -1.03 -4.96 115.64 109.95 3kq4 s THR 332 Ca 0.35 -0.77 0.02 0.00 -1.21 0.00 0.00 61.69 60.08 3kq4 s THR 332 Cb -0.09 -1.67 -0.01 0.00 -1.51 0.00 0.00 72.50 69.23 3kq4 s THR 332 CO 0.30 -0.05 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.95 3kq4 s ILE 333 N -3.88 0.59 0.21 5.08 -1.09 -1.26 -0.17 121.20 120.67 3kq4 s ILE 333 Ca 0.10 -0.40 -0.04 0.00 -2.23 0.00 0.00 60.65 58.08 3kq4 s ILE 333 Cb -0.02 -0.51 -0.03 0.00 -1.58 0.00 0.00 42.46 40.32 3kq4 s ILE 333 CO -0.00 0.11 0.21 0.54 -1.23 0.00 0.00 174.94 174.56 3kq4 s ASN 334 N -0.32 0.10 -0.08 3.58 2.20 -0.87 -4.96 114.94 114.58 3kq4 s ASN 334 Ca 0.02 -1.27 0.03 0.00 -0.94 0.00 0.00 52.86 50.70 3kq4 s ASN 334 Cb -0.04 0.42 -0.02 0.00 -2.00 0.00 0.00 41.25 39.62 3kq4 s ASN 334 CO -0.00 -0.90 -0.18 0.68 -2.94 0.00 0.00 177.10 173.76 3kq4 s VAL 335 N -4.12 2.68 -0.11 3.54 -7.23 -1.23 -1.69 120.40 112.23 3kq4 s VAL 335 Ca 0.34 -0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 59.66 3kq4 s VAL 335 Cb 0.05 -2.06 0.04 0.00 0.56 0.00 0.00 36.38 34.98 3kq4 s VAL 335 CO 0.10 0.56 0.02 -0.44 -0.31 0.00 0.00 175.10 175.04 3kq4 s SER 336 N -0.12 2.02 -0.48 4.85 0.01 0.27 -4.88 113.70 115.37 3kq4 s SER 336 Ca -0.03 -0.33 -0.46 0.00 1.31 0.00 0.00 55.95 56.44 3kq4 s SER 336 Cb -0.14 -0.46 -0.20 0.00 0.21 0.00 0.00 66.02 65.44 3kq4 s SER 336 CO 0.04 -0.24 1.67 1.33 0.41 0.00 0.00 173.24 176.45 3kq4 n VAL 337 N 5.13 0.03 -0.81 3.43 0.24 -1.26 -1.86 118.33 123.23 3kq4 n VAL 337 Ca -0.07 -0.01 0.11 0.00 -2.04 0.00 0.00 64.34 62.33 3kq4 n VAL 337 Cb 0.49 -0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 32.27 3kq4 n VAL 337 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kq4 n LYS 338 N 4.49 -1.62 0.00 7.34 4.81 -1.26 -4.03 118.16 127.90 3kq4 n LYS 338 Ca 0.33 1.07 0.00 0.00 -0.87 0.00 0.00 58.31 58.84 3kq4 n LYS 338 Cb -0.04 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.03 3kq4 n LYS 338 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3kq4 n SER 339 N -4.39 -0.41 0.00 3.14 7.64 -1.26 -4.11 113.62 114.23 3kq4 n SER 339 Ca 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3kq4 n SER 339 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3kq4 n SER 339 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kq4 n GLY 340 N 1.71 2.26 3.72 0.23 0.00 -1.26 -4.92 105.19 106.93 3kq4 n GLY 340 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kq4 n GLY 340 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kq4 s SER 341 N -3.51 7.41 0.28 1.61 0.01 -1.26 -5.05 113.70 113.18 3kq4 s SER 341 Ca 0.00 1.69 -0.00 0.00 1.31 0.00 0.00 55.95 58.95 3kq4 s SER 341 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 3kq4 s SER 341 CO 0.00 -0.12 0.48 0.68 0.41 0.00 0.00 173.24 174.69 3kq4 s VAL 342 N 0.34 5.14 0.48 3.43 -7.23 -1.26 -4.16 120.40 117.13 3kq4 s VAL 342 Ca 0.47 -0.39 0.36 0.00 -1.81 0.00 0.00 61.98 60.61 3kq4 s VAL 342 Cb -0.22 -3.80 0.55 0.00 0.56 0.00 0.00 36.38 33.48 3kq4 s VAL 342 CO 0.28 -0.37 1.63 0.25 -0.31 0.00 0.00 175.10 176.58 3kq4 h LEU 343 N 1.36 0.16 -1.42 1.32 5.85 -0.57 0.46 115.31 122.48 3kq4 h LEU 343 Ca -0.49 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.33 3kq4 h LEU 343 Cb 1.21 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 3kq4 h LEU 343 CO 0.64 -0.12 0.40 0.25 -0.34 0.00 0.00 178.44 179.27 3kq4 h LEU 344 N 0.06 0.68 -0.59 2.25 5.85 -0.99 -0.94 115.31 121.63 3kq4 h LEU 344 Ca 0.83 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.52 3kq4 h LEU 344 Cb 2.84 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 43.67 3kq4 h LEU 344 CO -0.28 0.49 0.33 0.58 -0.34 0.00 0.00 178.44 179.21 3kq4 h VAL 345 N 0.80 1.19 -0.49 1.05 2.07 -0.35 0.30 116.25 120.81 3kq4 h VAL 345 Ca 0.22 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.35 3kq4 h VAL 345 Cb -0.07 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 3kq4 h VAL 345 CO -0.05 0.21 0.09 0.58 0.02 0.00 0.00 177.57 178.42 3kq4 h VAL 346 N 0.80 0.72 0.29 2.57 2.07 -1.24 0.25 116.25 121.72 3kq4 h VAL 346 Ca 0.21 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3kq4 h VAL 346 Cb 0.04 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3kq4 h VAL 346 CO -0.03 0.04 -0.17 -0.07 0.02 0.00 0.00 177.57 177.36 3kq4 h LEU 347 N 0.23 -0.42 -1.00 2.57 -0.00 -0.66 0.41 115.31 116.43 3kq4 h LEU 347 Ca 0.24 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 58.13 3kq4 h LEU 347 Cb 0.33 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.07 3kq4 h LEU 347 CO -0.32 -0.28 0.45 -0.33 -0.00 0.00 0.00 178.44 177.96 3kq4 h GLU 348 N -0.44 1.15 -0.16 1.13 5.08 0.12 0.25 114.58 121.71 3kq4 h GLU 348 Ca -0.03 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 3kq4 h GLU 348 Cb 0.36 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kq4 h GLU 348 CO 0.04 0.84 -0.50 0.93 -1.00 0.00 0.00 179.01 179.32 3kq4 h GLU 349 N 1.16 0.63 -0.66 2.33 4.39 -0.25 -1.71 114.58 120.46 3kq4 h GLU 349 Ca 0.29 -0.46 0.10 0.00 0.34 0.00 0.00 59.36 59.63 3kq4 h GLU 349 Cb 0.03 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 3kq4 h GLU 349 CO -0.05 1.08 0.29 0.00 -1.16 0.00 0.00 179.01 179.17 3kq4 h ALA 350 N 0.55 0.89 -0.54 3.43 0.00 0.15 -1.17 119.26 122.58 3kq4 h ALA 350 Ca -0.02 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kq4 h ALA 350 Cb 1.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3kq4 h ALA 350 CO 0.11 -0.13 0.36 0.37 0.00 0.00 0.00 179.25 179.95 3kq4 h GLN 351 N 0.49 0.65 -0.01 0.00 4.15 -0.65 -1.40 115.11 118.34 3kq4 h GLN 351 Ca 0.34 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.65 3kq4 h GLN 351 Cb 0.40 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3kq4 h GLN 351 CO -0.30 0.43 -0.24 -0.09 -1.93 0.00 0.00 178.83 176.70 3kq4 h ARG 352 N 0.67 0.18 -0.23 1.69 2.43 -0.65 -3.33 114.38 115.13 3kq4 h ARG 352 Ca 0.21 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3kq4 h ARG 352 Cb 0.01 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3kq4 h ARG 352 CO -0.05 0.90 0.01 0.87 -1.51 0.00 0.00 179.97 180.19 3kq4 h LYS 353 N -0.47 0.39 -4.00 0.20 1.57 -1.05 -3.44 116.57 109.77 3kq4 h LYS 353 Ca -0.03 -0.12 -0.45 0.00 -1.87 0.00 0.00 60.65 58.19 3kq4 h LYS 353 Cb 0.97 -0.04 -0.36 0.00 0.08 0.00 0.00 32.23 32.88 3kq4 h LYS 353 CO 0.05 0.56 -0.78 1.21 -0.57 0.00 0.00 179.45 179.92 3kq4 s ASN 354 N -5.87 1.48 0.08 0.86 2.47 -0.54 -5.02 114.94 108.40 3kq4 s ASN 354 Ca -0.14 -0.16 0.15 0.00 0.42 0.00 0.00 52.86 53.13 3kq4 s ASN 354 Cb 0.07 -0.55 0.63 0.00 -1.45 0.00 0.00 41.25 39.95 3kq4 s ASN 354 CO 0.74 -0.11 1.45 -2.65 -3.72 0.00 0.00 177.10 172.81 3kq4 n PRO 355 N 4.58 0.05 0.15 0.43 -0.02 -1.26 -1.60 135.00 137.33 3kq4 n PRO 355 Ca -0.16 0.36 0.03 0.00 -2.02 0.00 0.00 63.50 61.71 3kq4 n PRO 355 Cb 0.50 -1.62 0.11 0.00 -0.02 0.00 0.00 33.50 32.47 3kq4 n PRO 355 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3kq4 h MET 356 N 0.00 0.00 -0.96 -0.52 4.05 -1.92 -3.15 114.93 112.43 3kq4 h MET 356 Ca 0.00 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.15 3kq4 h MET 356 Cb 0.21 0.00 -0.16 0.00 -0.80 0.00 0.00 31.60 30.85 3kq4 h MET 356 CO 0.00 0.50 0.35 1.19 0.23 0.00 0.00 176.91 179.18 3kq4 n PHE 357 N -3.31 1.81 -1.79 1.39 3.72 -0.63 -4.53 117.46 114.12 3kq4 n PHE 357 Ca 0.01 -1.21 -0.35 0.00 -0.05 0.00 0.00 57.45 55.85 3kq4 n PHE 357 Cb 0.69 -0.64 0.06 0.00 -0.94 0.00 0.00 39.48 38.65 3kq4 n PHE 357 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3kq4 s LYS 358 N -2.04 2.67 0.11 -1.08 2.20 -1.19 -3.88 119.74 116.53 3kq4 s LYS 358 Ca 0.35 1.80 -0.14 0.00 -0.36 0.00 0.00 55.97 57.62 3kq4 s LYS 358 Cb 0.29 -1.89 0.02 0.00 -1.51 0.00 0.00 37.83 34.74 3kq4 s LYS 358 CO 0.07 -1.44 0.33 -0.59 -0.36 0.00 0.00 175.35 173.37 3kq4 s PHE 359 N -1.75 -0.09 0.11 4.03 -0.12 -1.26 -0.85 117.98 118.05 3kq4 s PHE 359 Ca 0.76 -0.26 0.06 0.00 -0.05 0.00 0.00 56.93 57.45 3kq4 s PHE 359 Cb -0.30 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 3kq4 s PHE 359 CO 0.38 -0.64 -0.15 -1.21 -0.05 0.00 0.00 175.22 173.54 3kq4 s GLU 360 N -3.78 1.00 0.18 1.99 8.01 0.29 -4.96 118.70 121.42 3kq4 s GLU 360 Ca 0.03 -1.16 0.07 0.00 0.01 0.00 0.00 54.97 53.92 3kq4 s GLU 360 Cb 0.03 -0.99 -0.05 0.00 -4.31 0.00 0.00 34.13 28.81 3kq4 s GLU 360 CO -0.11 0.21 -0.14 -0.08 0.01 0.00 0.00 175.26 175.14 3kq4 s THR 361 N -1.73 1.59 -0.16 3.63 -1.32 -1.26 -2.11 115.64 114.27 3kq4 s THR 361 Ca 0.06 -2.12 -0.13 0.00 -1.21 0.00 0.00 61.69 58.28 3kq4 s THR 361 Cb -0.07 -1.95 0.04 0.00 -1.51 0.00 0.00 72.50 69.02 3kq4 s THR 361 CO 0.03 -0.60 0.42 0.28 -2.21 0.00 0.00 174.62 172.54 3kq4 s THR 362 N -2.92 -0.01 0.40 5.08 -1.32 0.05 -4.81 115.64 112.12 3kq4 s THR 362 Ca 0.20 0.02 -0.21 0.00 -1.21 0.00 0.00 61.69 60.48 3kq4 s THR 362 Cb -0.01 -0.59 -0.11 0.00 -1.51 0.00 0.00 72.50 70.29 3kq4 s THR 362 CO 0.05 0.01 0.93 -0.32 -2.21 0.00 0.00 174.62 173.08 3kq4 s MET 363 N 0.48 4.26 0.29 7.08 1.75 -1.26 -0.72 119.30 131.18 3kq4 s MET 363 Ca -0.02 1.11 -0.16 0.00 -1.25 0.00 0.00 55.69 55.37 3kq4 s MET 363 Cb -0.04 -2.30 0.02 0.00 2.84 0.00 0.00 34.83 35.34 3kq4 s MET 363 CO -0.02 0.04 0.63 0.95 -0.65 0.00 0.00 175.02 175.97 3kq4 s THR 364 N -2.07 0.00 0.54 10.11 -4.23 0.17 -4.91 115.64 115.25 3kq4 s THR 364 Ca 0.59 -1.18 0.27 0.00 -1.18 0.00 0.00 61.69 60.20 3kq4 s THR 364 Cb -0.11 -2.25 0.41 0.00 1.34 0.00 0.00 72.50 71.89 3kq4 s THR 364 CO 0.15 0.00 1.97 0.77 -0.54 0.00 0.00 174.62 176.97 3kq4 h SER 365 N 2.09 0.00 0.77 3.99 4.64 -1.93 0.51 113.55 123.61 3kq4 h SER 365 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3kq4 h SER 365 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kq4 h SER 365 CO 0.31 0.00 -1.17 0.79 -0.87 0.00 0.00 176.83 175.89 3kq4 n TRP 366 N -4.25 0.73 0.00 4.77 7.02 -1.26 -4.64 117.44 119.81 3kq4 n TRP 366 Ca 0.11 0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.80 3kq4 n TRP 366 Cb 0.66 -0.83 0.00 0.00 -2.42 0.00 0.00 31.31 28.72 3kq4 n TRP 366 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3kq4 n GLY 367 N 1.22 0.64 3.65 6.99 0.00 0.17 -4.91 105.19 112.93 3kq4 n GLY 367 Ca -0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 3kq4 n GLY 367 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kq4 s LEU 368 N 0.00 4.02 -0.12 0.99 1.02 -1.26 0.41 118.68 123.74 3kq4 s LEU 368 Ca 0.00 1.34 -0.07 0.00 0.02 0.00 0.00 54.13 55.42 3kq4 s LEU 368 Cb 0.00 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.63 3kq4 s LEU 368 CO 0.00 -0.86 0.13 -0.69 0.02 0.00 0.00 176.35 174.95 3kq4 s VAL 369 N 3.72 5.45 -0.49 -1.59 1.01 0.10 -4.57 120.40 124.04 3kq4 s VAL 369 Ca 0.51 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 3kq4 s VAL 369 Cb -0.17 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.87 3kq4 s VAL 369 CO 0.15 0.62 1.13 -0.69 0.00 0.00 0.00 175.10 176.31 3kq4 s VAL 370 N -1.00 4.20 -0.16 2.92 1.01 -1.26 -0.77 120.40 125.34 3kq4 s VAL 370 Ca 0.15 1.15 0.21 0.00 0.00 0.00 0.00 61.98 63.49 3kq4 s VAL 370 Cb -0.12 -4.61 -0.12 0.00 0.00 0.00 0.00 36.38 31.53 3kq4 s VAL 370 CO 0.04 -1.04 0.82 -1.54 0.00 0.00 0.00 175.10 173.38 3kq4 n SER 371 N 7.86 0.60 -3.66 3.32 3.41 -0.90 -4.57 113.62 119.68 3kq4 n SER 371 Ca 0.11 0.24 -0.11 0.00 -0.26 0.00 0.00 58.87 58.86 3kq4 n SER 371 Cb 0.49 0.82 -0.08 0.00 -0.26 0.00 0.00 64.21 65.18 3kq4 n SER 371 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3kq4 s SER 372 N -5.22 -0.76 -0.14 4.04 0.15 -1.08 -0.63 113.70 110.07 3kq4 s SER 372 Ca -0.03 1.33 0.02 0.00 0.70 0.00 0.00 55.95 57.97 3kq4 s SER 372 Cb 0.10 1.26 0.01 0.00 -1.71 0.00 0.00 66.02 65.69 3kq4 s SER 372 CO 0.83 -0.23 -0.21 -0.63 1.20 0.00 0.00 173.24 174.20 3kq4 s ILE 373 N 1.02 2.00 -1.28 6.45 1.01 -0.88 0.10 121.20 129.63 3kq4 s ILE 373 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.66 3kq4 s ILE 373 Cb -0.05 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.64 3kq4 s ILE 373 CO -0.10 0.54 0.00 -3.20 0.00 0.00 0.00 174.94 172.18 3kq4 n ASN 374 N 4.15 -4.50 0.00 3.58 5.15 -0.03 -1.91 115.26 121.70 3kq4 n ASN 374 Ca -0.20 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 3kq4 n ASN 374 Cb 0.51 -3.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.13 3kq4 n ASN 374 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kq4 n ASN 375 N -0.80 -0.19 -4.54 1.20 3.02 -1.26 -4.96 115.26 107.73 3kq4 n ASN 375 Ca -0.17 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.95 3kq4 n ASN 375 Cb 0.62 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 3kq4 n ASN 375 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kq4 s ILE 376 N -3.17 4.60 0.00 2.41 -1.09 -0.80 -5.04 121.20 118.12 3kq4 s ILE 376 Ca 0.00 0.48 0.01 0.00 -2.23 0.00 0.00 60.65 58.91 3kq4 s ILE 376 Cb 0.00 -4.36 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 3kq4 s ILE 376 CO 0.00 -0.76 0.03 0.00 -1.23 0.00 0.00 174.94 172.98 3kq4 s ALA 377 N 3.41 3.38 0.46 9.38 0.00 -1.26 -2.06 121.76 135.07 3kq4 s ALA 377 Ca 0.31 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 3kq4 s ALA 377 Cb -0.12 -1.41 -0.08 0.00 0.00 0.00 0.00 23.12 21.51 3kq4 s ALA 377 CO 0.23 0.66 1.24 -0.85 0.00 0.00 0.00 175.76 177.04 3kq4 n GLU 378 N 1.26 1.74 -3.83 0.00 0.28 0.20 -4.98 120.64 115.32 3kq4 n GLU 378 Ca -0.14 0.63 -0.15 0.00 -0.16 0.00 0.00 57.16 57.34 3kq4 n GLU 378 Cb 0.53 -2.37 -0.16 0.00 1.43 0.00 0.00 31.44 30.87 3kq4 n GLU 378 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3kq4 s ASN 379 N -0.69 0.14 0.11 -1.84 2.47 -1.02 -5.01 114.94 109.10 3kq4 s ASN 379 Ca 0.64 0.01 -0.14 0.00 0.42 0.00 0.00 52.86 53.80 3kq4 s ASN 379 Cb -0.49 -0.09 -0.09 0.00 -1.45 0.00 0.00 41.25 39.14 3kq4 s ASN 379 CO 0.55 -0.09 1.41 0.58 -3.72 0.00 0.00 177.10 175.83 3kq4 h VAL 380 N 6.03 1.30 0.00 -5.21 2.07 -1.95 -2.35 116.25 116.13 3kq4 h VAL 380 Ca -0.41 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.57 3kq4 h VAL 380 Cb 1.14 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3kq4 h VAL 380 CO 0.49 0.50 0.00 0.78 0.02 0.00 0.00 177.57 179.35 3kq4 h ASN 381 N 0.51 0.00 0.16 0.57 2.35 -1.97 0.73 115.58 117.93 3kq4 h ASN 381 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3kq4 h ASN 381 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.31 3kq4 h ASN 381 CO 0.09 0.00 -0.51 1.41 -1.65 0.00 0.00 177.43 176.77 3kq4 n HIS 382 N -2.61 0.00 -3.64 1.19 8.25 -1.07 -5.00 115.22 112.34 3kq4 n HIS 382 Ca 0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 3kq4 n HIS 382 Cb 0.21 -0.09 0.04 0.00 1.12 0.00 0.00 29.99 31.27 3kq4 n HIS 382 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kq4 n LYS 383 N -0.78 -2.30 -3.81 -0.41 5.02 0.25 -4.90 118.16 111.23 3kq4 n LYS 383 Ca 0.09 0.55 -0.22 0.00 -2.02 0.00 0.00 58.31 56.71 3kq4 n LYS 383 Cb 0.38 -4.64 -0.17 0.00 -0.02 0.00 0.00 35.03 30.57 3kq4 n LYS 383 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3kq4 s THR 384 N -3.54 0.33 0.36 -0.18 -1.32 -1.03 -2.25 115.64 108.01 3kq4 s THR 384 Ca 0.34 0.13 0.04 0.00 -1.21 0.00 0.00 61.69 60.99 3kq4 s THR 384 Cb -0.10 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.38 3kq4 s THR 384 CO 0.83 0.24 0.17 -0.72 -2.21 0.00 0.00 174.62 172.94 3kq4 s TYR 385 N 1.81 1.73 -0.34 9.09 1.13 0.34 -2.44 117.35 128.67 3kq4 s TYR 385 Ca 0.02 -1.40 -0.15 0.00 -1.41 0.00 0.00 57.07 54.14 3kq4 s TYR 385 Cb -0.13 -0.97 -0.01 0.00 -1.10 0.00 0.00 41.96 39.75 3kq4 s TYR 385 CO -0.04 -0.49 0.34 -1.58 -2.51 0.00 0.00 175.55 171.27 3kq4 s TRP 386 N -3.37 3.21 -0.17 -3.49 0.52 -1.26 -1.41 118.94 112.96 3kq4 s TRP 386 Ca 0.31 -0.07 -0.12 0.00 0.02 0.00 0.00 56.10 56.23 3kq4 s TRP 386 Cb 0.03 -2.64 -0.05 0.00 -1.15 0.00 0.00 33.47 29.66 3kq4 s TRP 386 CO 0.18 -0.43 0.23 -1.14 0.02 0.00 0.00 176.95 175.82 3kq4 s GLN 387 N 1.96 4.22 -0.26 4.98 0.74 0.18 -4.94 119.66 126.55 3kq4 s GLN 387 Ca 0.11 -0.02 -0.09 0.00 0.05 0.00 0.00 55.36 55.41 3kq4 s GLN 387 Cb -0.17 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3kq4 s GLN 387 CO 0.11 0.27 0.12 -0.06 -0.55 0.00 0.00 175.29 175.18 3kq4 s PHE 388 N 0.40 3.15 0.17 1.67 0.40 -1.26 -0.56 117.98 121.94 3kq4 s PHE 388 Ca 0.13 -0.17 0.09 0.00 -0.60 0.00 0.00 56.93 56.38 3kq4 s PHE 388 Cb -0.12 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 3kq4 s PHE 388 CO 0.02 -0.25 -0.18 -0.48 0.70 0.00 0.00 175.22 175.03 3kq4 s LEU 389 N 1.60 2.44 -0.64 -0.37 2.34 -0.57 0.17 118.68 123.66 3kq4 s LEU 389 Ca 0.06 -0.87 -0.22 0.00 0.06 0.00 0.00 54.13 53.17 3kq4 s LEU 389 Cb -0.15 -0.83 0.07 0.00 -0.56 0.00 0.00 46.19 44.72 3kq4 s LEU 389 CO 0.06 -0.04 0.91 -0.55 -1.06 0.00 0.00 176.35 175.68 3kq4 s SER 390 N -2.70 6.19 0.00 1.48 0.15 0.76 -1.65 113.70 117.93 3kq4 s SER 390 Ca 0.16 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.80 3kq4 s SER 390 Cb -0.06 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 3kq4 s SER 390 CO 0.07 -1.36 0.00 0.61 1.20 0.00 0.00 173.24 173.76 3kq4 n GLY 391 N 5.30 0.32 0.00 9.45 0.00 0.19 -2.43 105.19 118.02 3kq4 n GLY 391 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kq4 n GLY 391 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kq4 n VAL 392 N 0.00 0.00 -3.56 1.61 3.14 -1.26 -4.83 118.33 113.43 3kq4 n VAL 392 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 3kq4 n VAL 392 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 3kq4 n VAL 392 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3kq4 s THR 393 N -0.79 5.29 0.44 1.55 -4.23 -1.02 -5.00 115.64 111.88 3kq4 s THR 393 Ca 0.00 0.56 -0.26 0.00 -1.18 0.00 0.00 61.69 60.81 3kq4 s THR 393 Cb 0.00 -3.63 -0.09 0.00 1.34 0.00 0.00 72.50 70.12 3kq4 s THR 393 CO 0.00 0.42 1.39 -2.65 -0.54 0.00 0.00 174.62 173.24 3kq4 n PRO 394 N 3.28 2.19 -1.01 3.99 -0.02 -1.26 -0.17 135.00 142.00 3kq4 n PRO 394 Ca -0.13 0.78 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 3kq4 n PRO 394 Cb 0.52 -2.56 0.17 0.00 -0.02 0.00 0.00 33.50 31.61 3kq4 n PRO 394 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kq4 s LEU 395 N -2.33 1.85 -0.29 2.45 1.02 0.13 -4.69 118.68 116.82 3kq4 s LEU 395 Ca 0.60 1.48 0.20 0.00 0.02 0.00 0.00 54.13 56.44 3kq4 s LEU 395 Cb -0.47 -3.74 0.49 0.00 0.02 0.00 0.00 46.19 42.49 3kq4 s LEU 395 CO 0.58 -3.13 1.04 -0.46 0.02 0.00 0.00 176.35 174.40 3kq4 n ASN 396 N -4.20 1.58 -3.89 2.29 6.94 -1.26 -4.97 115.26 111.75 3kq4 n ASN 396 Ca 0.06 -2.37 -0.09 0.00 -0.02 0.00 0.00 54.58 52.16 3kq4 n ASN 396 Cb 0.55 -0.50 -0.08 0.00 -2.36 0.00 0.00 39.78 37.39 3kq4 n ASN 396 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kq4 s GLU 397 N -3.49 0.75 0.78 -3.83 2.02 -1.26 -5.02 118.70 108.65 3kq4 s GLU 397 Ca 0.27 -0.88 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 3kq4 s GLU 397 Cb 0.39 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.98 3kq4 s GLU 397 CO -0.00 -0.22 1.10 0.20 0.02 0.00 0.00 175.26 176.36 3kq4 s GLY 398 N -2.59 1.72 0.23 -1.39 0.00 -1.26 -4.71 107.32 99.32 3kq4 s GLY 398 Ca 0.02 0.33 0.15 0.00 0.00 0.00 0.00 44.72 45.22 3kq4 s GLY 398 CO -0.08 0.69 1.46 3.33 0.00 0.00 0.00 173.10 178.49 3kq4 n VAL 399 N -3.52 1.26 0.28 1.40 0.24 -1.26 -0.88 118.33 115.84 3kq4 n VAL 399 Ca 0.10 0.68 0.11 0.00 -2.04 0.00 0.00 64.34 63.18 3kq4 n VAL 399 Cb 0.53 -1.68 0.26 0.00 -1.47 0.00 0.00 33.84 31.49 3kq4 n VAL 399 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kq4 n ALA 400 N -1.69 2.42 0.00 2.33 0.00 -1.26 -0.38 120.51 121.94 3kq4 n ALA 400 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.44 3kq4 n ALA 400 Cb 0.04 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3kq4 n ALA 400 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kq4 n ASP 401 N 1.32 2.92 -4.74 0.00 10.43 -0.06 -4.99 116.55 121.43 3kq4 n ASP 401 Ca 0.20 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.15 3kq4 n ASP 401 Cb 0.55 0.24 -0.03 0.00 1.84 0.00 0.00 41.12 43.72 3kq4 n ASP 401 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3kq4 s TYR 402 N -1.61 3.32 -0.29 1.24 5.04 -0.37 -4.90 117.35 119.78 3kq4 s TYR 402 Ca 0.00 1.35 -0.01 0.00 -2.44 0.00 0.00 57.07 55.97 3kq4 s TYR 402 Cb 0.00 -3.53 0.05 0.00 0.35 0.00 0.00 41.96 38.83 3kq4 s TYR 402 CO 0.00 -1.53 -0.02 0.42 -1.34 0.00 0.00 175.55 173.07 3kq4 s ILE 403 N -0.20 2.89 0.37 3.14 1.01 -1.26 -0.31 121.20 126.83 3kq4 s ILE 403 Ca 0.53 -1.33 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 3kq4 s ILE 403 Cb -0.35 -2.62 -0.10 0.00 0.01 0.00 0.00 42.46 39.40 3kq4 s ILE 403 CO 0.40 -0.03 1.00 -2.16 0.00 0.00 0.00 174.94 174.14 3kq4 s PRO 404 N 1.25 4.34 0.52 2.79 0.05 -1.26 -4.99 135.00 137.70 3kq4 s PRO 404 Ca -0.04 1.41 0.03 0.00 0.05 0.00 0.00 61.00 62.44 3kq4 s PRO 404 Cb -0.19 -2.61 0.03 0.00 0.05 0.00 0.00 34.50 31.77 3kq4 s PRO 404 CO -0.02 0.03 0.72 -0.59 0.05 0.00 0.00 177.00 177.20 3kq4 s PHE 405 N -1.69 2.84 0.51 0.56 -0.12 -1.26 -4.82 117.98 114.00 3kq4 s PHE 405 Ca 0.55 -0.11 0.34 0.00 -0.05 0.00 0.00 56.93 57.66 3kq4 s PHE 405 Cb -0.20 -2.66 1.47 0.00 -0.63 0.00 0.00 43.02 41.01 3kq4 s PHE 405 CO 0.25 -0.76 1.76 -2.95 -0.05 0.00 0.00 175.22 173.46 3kq4 h ASN 406 N 0.21 0.11 -0.61 1.98 -1.07 -1.98 -1.66 115.58 112.56 3kq4 h ASN 406 Ca -0.41 0.03 -0.28 0.00 0.07 0.00 0.00 56.30 55.70 3kq4 h ASN 406 Cb 1.29 0.01 -0.36 0.00 -2.07 0.00 0.00 38.32 37.19 3kq4 h ASN 406 CO 0.50 0.00 -1.03 1.41 0.07 0.00 0.00 177.43 178.38 3kq4 n HIS 407 N -4.29 0.69 -2.83 4.14 8.25 -1.25 -3.67 115.22 116.26 3kq4 n HIS 407 Ca 0.28 -2.37 -0.36 0.00 -0.26 0.00 0.00 57.72 55.01 3kq4 n HIS 407 Cb 1.27 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 32.29 3kq4 n HIS 407 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3kq4 s GLU 408 N -2.93 4.49 -0.59 -0.41 2.12 -0.63 -4.81 118.70 115.94 3kq4 s GLU 408 Ca 0.25 1.23 -0.12 0.00 0.36 0.00 0.00 54.97 56.70 3kq4 s GLU 408 Cb 0.40 -2.73 0.15 0.00 0.26 0.00 0.00 34.13 32.20 3kq4 s GLU 408 CO -0.02 0.26 0.50 -1.58 -0.54 0.00 0.00 175.26 173.88 3kq4 s HIS 409 N -1.68 3.44 -0.22 5.30 5.65 -1.26 -1.13 115.29 125.39 3kq4 s HIS 409 Ca 0.51 -1.78 -0.15 0.00 0.25 0.00 0.00 55.06 53.89 3kq4 s HIS 409 Cb -0.17 -3.64 -0.04 0.00 -1.18 0.00 0.00 32.58 27.54 3kq4 s HIS 409 CO 0.22 -0.99 0.35 0.42 -0.65 0.00 0.00 174.74 174.09 3kq4 s ILE 410 N 1.06 5.22 0.03 0.89 -1.09 0.68 0.54 121.20 128.54 3kq4 s ILE 410 Ca 0.08 0.58 0.05 0.00 -2.23 0.00 0.00 60.65 59.14 3kq4 s ILE 410 Cb -0.23 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 3kq4 s ILE 410 CO -0.01 0.25 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.95 3kq4 s THR 411 N 1.43 3.34 -0.32 2.92 2.01 -0.66 -0.60 115.64 123.76 3kq4 s THR 411 Ca 0.16 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.20 3kq4 s THR 411 Cb -0.15 -2.46 0.09 0.00 0.01 0.00 0.00 72.50 69.99 3kq4 s THR 411 CO 0.08 0.32 0.03 0.00 -0.69 0.00 0.00 174.62 174.35 3kq4 s ALA 412 N -1.02 2.60 -0.15 7.40 0.00 -0.50 -1.51 121.76 128.57 3kq4 s ALA 412 Ca 0.17 -2.23 -0.15 0.00 0.00 0.00 0.00 51.96 49.76 3kq4 s ALA 412 Cb -0.11 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 3kq4 s ALA 412 CO 0.08 -1.58 0.35 1.21 0.00 0.00 0.00 175.76 175.82 3kq4 s ASN 413 N 1.06 6.50 -0.20 0.00 2.47 0.27 -1.67 114.94 123.37 3kq4 s ASN 413 Ca 0.07 0.58 -0.26 0.00 0.42 0.00 0.00 52.86 53.67 3kq4 s ASN 413 Cb -0.19 -2.21 -0.01 0.00 -1.45 0.00 0.00 41.25 37.39 3kq4 s ASN 413 CO -0.10 0.06 0.89 0.12 -3.72 0.00 0.00 177.10 174.34 3kq4 s PHE 414 N 0.60 3.37 0.03 0.43 5.36 -1.02 0.51 117.98 127.26 3kq4 s PHE 414 Ca 0.19 1.28 -0.01 0.00 -0.96 0.00 0.00 56.93 57.43 3kq4 s PHE 414 Cb -0.14 -3.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.45 3kq4 s PHE 414 CO 0.06 -0.35 0.06 -2.37 -1.46 0.00 0.00 175.22 171.16 3kq4 n THR 415 N 5.03 0.00 -4.24 0.12 5.66 -0.50 -4.55 114.28 115.81 3kq4 n THR 415 Ca 0.07 -0.09 -0.14 0.00 -3.05 0.00 0.00 64.05 60.84 3kq4 n THR 415 Cb 0.48 0.08 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 3kq4 n THR 415 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3kq4 s GLN 416 N -2.02 1.04 0.00 1.09 -0.21 -1.26 -0.51 119.66 117.79 3kq4 s GLN 416 Ca 0.01 -1.45 0.19 0.00 0.02 0.00 0.00 55.36 54.13 3kq4 s GLN 416 Cb -0.00 -0.50 0.15 0.00 1.00 0.00 0.00 33.01 33.65 3kq4 s GLN 416 CO 0.01 0.02 1.10 2.48 -2.12 0.00 0.00 175.29 176.79