#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xk8 s VAL 41 N 0.00 4.61 0.14 2.97 1.01 -1.26 -5.00 120.40 122.87 1xk8 s VAL 41 Ca 0.00 1.44 -0.34 0.00 0.00 0.00 0.00 61.98 63.08 1xk8 s VAL 41 Cb 0.00 -4.32 -0.16 0.00 0.00 0.00 0.00 36.38 31.90 1xk8 s VAL 41 CO 0.00 -0.43 1.22 -2.65 0.00 0.00 0.00 175.10 173.24 1xk8 n PRO 42 N 6.65 1.12 -1.01 2.72 -0.02 -1.26 -2.00 135.00 141.20 1xk8 n PRO 42 Ca 0.08 0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1xk8 n PRO 42 Cb 0.48 -1.95 -0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1xk8 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xk8 n GLY 43 N 2.18 0.40 0.12 -1.23 0.00 0.25 -4.89 105.19 102.02 1xk8 n GLY 43 Ca 0.16 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1xk8 n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xk8 h SER 44 N 0.00 0.00 -3.42 1.61 4.64 -1.60 -3.43 113.55 111.35 1xk8 h SER 44 Ca -0.01 -0.07 -0.68 0.00 -0.47 0.00 0.00 61.79 60.56 1xk8 h SER 44 Cb 0.26 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.19 1xk8 h SER 44 CO 0.01 0.04 -0.65 -0.69 -0.87 0.00 0.00 176.83 174.67 1xk8 s VAL 45 N -3.21 4.11 0.16 0.95 1.01 -1.26 0.25 120.40 122.41 1xk8 s VAL 45 Ca 0.06 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1xk8 s VAL 45 Cb 0.10 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1xk8 s VAL 45 CO 0.70 0.52 -0.17 -0.44 0.00 0.00 0.00 175.10 175.71 1xk8 s SER 46 N -1.11 2.54 -0.32 3.32 0.01 0.53 -1.06 113.70 117.60 1xk8 s SER 46 Ca 0.15 -0.85 -0.05 0.00 1.31 0.00 0.00 55.95 56.51 1xk8 s SER 46 Cb -0.11 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.02 1xk8 s SER 46 CO 0.05 -0.06 0.06 0.00 0.41 0.00 0.00 173.24 173.70 1xk8 s ALA 47 N -2.07 2.96 -0.14 1.44 0.00 0.12 -1.75 121.76 122.31 1xk8 s ALA 47 Ca 0.14 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.27 1xk8 s ALA 47 Cb -0.05 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 1xk8 s ALA 47 CO 0.06 -1.30 0.16 0.00 0.00 0.00 0.00 175.76 174.68 1xk8 s ALA 48 N 1.35 3.79 -0.18 0.00 0.00 0.13 -1.22 121.76 125.64 1xk8 s ALA 48 Ca -0.03 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 1xk8 s ALA 48 Cb -0.19 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1xk8 s ALA 48 CO 0.01 0.42 -0.00 -0.06 0.00 0.00 0.00 175.76 176.14 1xk8 s PHE 49 N -0.48 3.08 -0.06 0.00 0.40 0.16 0.07 117.98 121.16 1xk8 s PHE 49 Ca 0.13 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1xk8 s PHE 49 Cb -0.12 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.40 1xk8 s PHE 49 CO 0.03 -0.06 -0.08 0.08 0.70 0.00 0.00 175.22 175.88 1xk8 s VAL 50 N 0.57 0.87 -0.13 -0.44 1.01 -0.54 -2.12 120.40 119.63 1xk8 s VAL 50 Ca -0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 1xk8 s VAL 50 Cb -0.14 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1xk8 s VAL 50 CO 0.02 0.30 0.31 -0.89 0.00 0.00 0.00 175.10 174.84 1xk8 s THR 51 N 0.89 5.27 0.16 3.92 2.01 -1.22 -0.20 115.64 126.48 1xk8 s THR 51 Ca -0.11 0.59 0.09 0.00 0.31 0.00 0.00 61.69 62.58 1xk8 s THR 51 Cb -0.15 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1xk8 s THR 51 CO 0.01 0.43 -0.20 0.00 -0.69 0.00 0.00 174.62 174.17 1xk8 h PRO 53 N 3.40 0.02 -3.15 0.00 0.13 -1.86 0.73 132.00 131.27 1xk8 h PRO 53 Ca -0.44 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1xk8 h PRO 53 Cb 1.20 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1xk8 h PRO 53 CO 0.48 0.28 0.19 0.54 -0.23 0.00 0.00 178.00 179.27 1xk8 s ASN 54 N -6.96 0.02 0.18 1.44 2.20 -1.26 -4.33 114.94 106.23 1xk8 s ASN 54 Ca -0.03 -1.03 -0.08 0.00 -0.94 0.00 0.00 52.86 50.77 1xk8 s ASN 54 Cb 0.15 0.79 0.07 0.00 -2.00 0.00 0.00 41.25 40.26 1xk8 s ASN 54 CO 0.71 -1.53 1.60 -0.08 -2.94 0.00 0.00 177.10 174.86 1xk8 h GLU 55 N 2.03 0.97 -0.02 3.55 4.81 -1.94 -2.67 114.58 121.31 1xk8 h GLU 55 Ca -0.28 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 58.59 1xk8 h GLU 55 Cb 1.25 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1xk8 h GLU 55 CO 0.36 1.05 -0.10 -0.22 -0.73 0.00 0.00 179.01 179.36 1xk8 h LYS 56 N 0.85 -0.16 -0.28 1.92 3.64 -1.99 -0.32 116.57 120.23 1xk8 h LYS 56 Ca 0.12 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1xk8 h LYS 56 Cb 0.72 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1xk8 h LYS 56 CO 0.05 -0.11 0.13 0.28 -2.27 0.00 0.00 179.45 177.54 1xk8 h VAL 57 N -0.17 1.15 -0.49 2.00 2.07 -1.99 -1.65 116.25 117.18 1xk8 h VAL 57 Ca 0.05 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1xk8 h VAL 57 Cb 0.23 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1xk8 h VAL 57 CO -0.12 0.16 0.27 0.00 0.02 0.00 0.00 177.57 177.90 1xk8 h ALA 58 N 0.99 0.62 -0.45 1.67 0.00 -1.26 -0.93 119.26 119.90 1xk8 h ALA 58 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xk8 h ALA 58 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xk8 h ALA 58 CO -0.01 -0.05 0.22 0.87 0.00 0.00 0.00 179.25 180.28 1xk8 h LYS 59 N 0.54 0.64 -0.44 0.00 1.57 -0.90 0.14 116.57 118.12 1xk8 h LYS 59 Ca 0.20 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1xk8 h LYS 59 Cb 0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1xk8 h LYS 59 CO -0.11 0.54 0.28 0.93 -0.57 0.00 0.00 179.45 180.52 1xk8 h GLU 60 N 0.58 0.59 -0.32 3.15 5.08 -0.92 0.20 114.58 122.94 1xk8 h GLU 60 Ca 0.15 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1xk8 h GLU 60 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xk8 h GLU 60 CO -0.02 0.41 0.09 0.82 -1.00 0.00 0.00 179.01 179.31 1xk8 h ILE 61 N 0.59 1.21 -0.04 3.13 2.04 -1.01 -1.81 117.51 121.62 1xk8 h ILE 61 Ca 0.16 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.34 1xk8 h ILE 61 Cb -0.04 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1xk8 h ILE 61 CO -0.03 0.23 -0.07 0.00 0.00 0.00 0.00 178.15 178.29 1xk8 h ALA 62 N 0.92 -0.04 -0.65 1.87 0.00 -0.31 -0.77 119.26 120.29 1xk8 h ALA 62 Ca 0.10 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1xk8 h ALA 62 Cb 0.27 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1xk8 h ALA 62 CO -0.00 -0.55 0.37 0.00 0.00 0.00 0.00 179.25 179.07 1xk8 h ARG 63 N -0.10 0.69 0.15 0.00 3.08 -0.58 -2.74 114.38 114.88 1xk8 h ARG 63 Ca 0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1xk8 h ARG 63 Cb 0.15 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xk8 h ARG 63 CO -0.10 0.45 -0.07 0.00 -1.07 0.00 0.00 179.97 179.19 1xk8 h ALA 64 N 1.32 -0.20 -0.55 0.04 0.00 -0.85 -0.56 119.26 118.46 1xk8 h ALA 64 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xk8 h ALA 64 Cb 0.12 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xk8 h ALA 64 CO -0.15 -0.58 0.35 -0.39 0.00 0.00 0.00 179.25 178.48 1xk8 h VAL 65 N -0.27 1.15 -0.07 0.00 -1.51 -1.05 0.21 116.25 114.70 1xk8 h VAL 65 Ca -0.02 -0.30 -0.05 0.00 -1.23 0.00 0.00 66.70 65.09 1xk8 h VAL 65 Cb 0.21 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 29.74 1xk8 h VAL 65 CO 0.03 0.15 -0.17 0.58 -1.23 0.00 0.00 177.57 176.94 1xk8 h VAL 66 N 0.75 1.42 -0.86 7.19 2.07 -1.38 0.22 116.25 125.66 1xk8 h VAL 66 Ca 0.20 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.23 1xk8 h VAL 66 Cb -0.06 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1xk8 h VAL 66 CO -0.04 0.42 0.57 -0.08 0.02 0.00 0.00 177.57 178.46 1xk8 h GLU 67 N -0.26 1.09 -0.05 1.57 4.81 -0.60 -0.61 114.58 120.54 1xk8 h GLU 67 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xk8 h GLU 67 Cb 0.77 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1xk8 h GLU 67 CO 0.04 0.72 0.00 1.63 -0.73 0.00 0.00 179.01 180.67 1xk8 n LYS 68 N -4.42 1.21 -1.46 1.92 5.02 0.68 -4.91 118.16 116.20 1xk8 n LYS 68 Ca 0.10 -0.32 -0.15 0.00 -2.02 0.00 0.00 58.31 55.92 1xk8 n LYS 68 Cb 0.06 -1.31 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1xk8 n LYS 68 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xk8 n ARG 69 N -0.45 -1.07 0.09 1.97 5.12 -0.24 -4.88 116.66 117.21 1xk8 n ARG 69 Ca 0.14 1.04 0.13 0.00 -1.93 0.00 0.00 57.85 57.22 1xk8 n ARG 69 Cb 0.14 -5.19 0.34 0.00 -1.16 0.00 0.00 32.46 26.59 1xk8 n ARG 69 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1xk8 n LEU 70 N -1.75 0.79 -3.78 0.55 4.77 0.74 -4.62 117.00 113.69 1xk8 n LEU 70 Ca -0.15 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 1xk8 n LEU 70 Cb 0.51 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 1xk8 n LEU 70 CO 0.23 -0.15 -0.01 0.00 -1.33 0.00 0.00 177.39 176.13 1xk8 s ALA 71 N -3.12 -0.70 0.03 -1.18 0.00 -1.06 -4.76 121.76 110.98 1xk8 s ALA 71 Ca 0.10 0.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.13 1xk8 s ALA 71 Cb 0.13 0.08 -0.31 0.00 0.00 0.00 0.00 23.12 23.02 1xk8 s ALA 71 CO 0.63 -0.25 1.05 0.00 0.00 0.00 0.00 175.76 177.18 1xk8 h ALA 72 N 3.94 -0.07 -2.30 0.00 0.00 -1.48 -3.39 119.26 115.96 1xk8 h ALA 72 Ca -0.30 -0.78 0.18 0.00 0.00 0.00 0.00 54.91 54.01 1xk8 h ALA 72 Cb 1.18 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1xk8 h ALA 72 CO 0.40 0.63 0.50 0.00 0.00 0.00 0.00 179.25 180.78 1xk8 s VAL 74 N -3.24 0.46 -0.17 0.00 1.01 -1.26 -1.36 120.40 115.84 1xk8 s VAL 74 Ca 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 1xk8 s VAL 74 Cb -0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1xk8 s VAL 74 CO 0.01 0.18 0.07 0.20 0.00 0.00 0.00 175.10 175.56 1xk8 s ASN 75 N 0.52 5.73 -0.23 3.32 0.01 0.06 -4.95 114.94 119.41 1xk8 s ASN 75 Ca -0.06 0.14 -0.08 0.00 -0.71 0.00 0.00 52.86 52.15 1xk8 s ASN 75 Cb -0.10 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 1xk8 s ASN 75 CO -0.00 0.22 0.08 -0.76 -1.51 0.00 0.00 177.10 175.13 1xk8 s LEU 76 N 0.09 3.65 -0.34 0.60 1.02 -1.26 -0.08 118.68 122.36 1xk8 s LEU 76 Ca 0.06 -0.07 -0.07 0.00 0.02 0.00 0.00 54.13 54.07 1xk8 s LEU 76 Cb -0.12 -1.96 0.04 0.00 0.02 0.00 0.00 46.19 44.17 1xk8 s LEU 76 CO 0.01 0.04 0.11 -0.63 0.02 0.00 0.00 176.35 175.89 1xk8 s ILE 77 N 1.15 3.81 0.65 -0.59 1.01 0.12 -4.97 121.20 122.39 1xk8 s ILE 77 Ca 0.05 -1.10 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 1xk8 s ILE 77 Cb -0.14 -3.15 0.13 0.00 0.01 0.00 0.00 42.46 39.31 1xk8 s ILE 77 CO 0.04 -0.17 0.89 -0.81 0.00 0.00 0.00 174.94 174.89 1xk8 n PRO 78 N 4.82 -0.04 -3.64 2.79 -0.04 -1.26 -0.74 135.00 136.89 1xk8 n PRO 78 Ca -0.13 -2.43 -0.24 0.00 -0.04 0.00 0.00 63.50 60.67 1xk8 n PRO 78 Cb 0.45 -0.60 0.07 0.00 -0.04 0.00 0.00 33.50 33.38 1xk8 n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xk8 n GLN 79 N -2.65 -7.04 -3.57 0.54 -0.00 -1.25 -4.92 117.38 98.49 1xk8 n GLN 79 Ca 0.15 0.77 -0.38 0.00 -0.00 0.00 0.00 57.00 57.54 1xk8 n GLN 79 Cb 0.53 -5.75 -0.06 0.00 -0.00 0.00 0.00 30.24 24.95 1xk8 n GLN 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1xk8 s ILE 80 N -3.35 5.12 -0.24 -0.39 1.01 -0.66 -4.96 121.20 117.73 1xk8 s ILE 80 Ca 0.46 0.70 -0.05 0.00 0.00 0.00 0.00 60.65 61.76 1xk8 s ILE 80 Cb -0.21 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 1xk8 s ILE 80 CO 0.76 0.57 0.00 -0.89 0.00 0.00 0.00 174.94 175.38 1xk8 s THR 81 N -1.09 3.60 -0.11 2.92 2.01 -1.26 -0.58 115.64 121.13 1xk8 s THR 81 Ca 0.23 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 1xk8 s THR 81 Cb -0.16 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1xk8 s THR 81 CO 0.12 0.31 0.25 -0.44 -0.69 0.00 0.00 174.62 174.16 1xk8 s SER 82 N 1.49 6.49 -0.18 3.53 0.01 -0.40 -4.93 113.70 119.71 1xk8 s SER 82 Ca 0.05 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1xk8 s SER 82 Cb -0.15 -2.15 0.04 0.00 0.21 0.00 0.00 66.02 63.97 1xk8 s SER 82 CO -0.01 0.28 -0.09 -0.63 0.41 0.00 0.00 173.24 173.20 1xk8 s ILE 83 N -0.51 1.47 0.08 1.44 1.09 -1.26 -2.14 121.20 121.38 1xk8 s ILE 83 Ca 0.17 -0.84 -0.09 0.00 -1.10 0.00 0.00 60.65 58.79 1xk8 s ILE 83 Cb -0.13 -1.55 0.00 0.00 -1.06 0.00 0.00 42.46 39.72 1xk8 s ILE 83 CO 0.06 0.20 0.21 -0.72 -0.10 0.00 0.00 174.94 174.59 1xk8 s TYR 84 N 1.48 0.10 -0.13 3.97 -0.85 -1.08 -4.99 117.35 115.85 1xk8 s TYR 84 Ca 0.00 -0.47 -0.14 0.00 -0.52 0.00 0.00 57.07 55.95 1xk8 s TYR 84 Cb -0.15 -0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 1xk8 s TYR 84 CO -0.08 -0.53 0.31 -2.00 -1.52 0.00 0.00 175.55 171.73 1xk8 s GLU 85 N -3.52 4.16 -0.05 -3.49 2.12 -1.26 -0.12 118.70 116.53 1xk8 s GLU 85 Ca 0.02 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.51 1xk8 s GLU 85 Cb 0.03 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 31.06 1xk8 s GLU 85 CO -0.09 0.33 -0.07 -0.46 -0.54 0.00 0.00 175.26 174.43 1xk8 s TRP 86 N 0.18 0.97 -1.52 5.30 -0.00 0.26 -4.89 118.94 119.24 1xk8 s TRP 86 Ca 0.18 -0.32 -0.01 0.00 -0.00 0.00 0.00 56.10 55.95 1xk8 s TRP 86 Cb -0.13 -0.80 0.01 0.00 -0.00 0.00 0.00 33.47 32.54 1xk8 s TRP 86 CO 0.05 -0.23 0.15 0.36 -0.00 0.00 0.00 176.95 177.28 1xk8 n LYS 87 N 4.06 -1.65 0.00 5.86 2.85 -1.26 -0.37 118.16 127.64 1xk8 n LYS 87 Ca -0.23 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1xk8 n LYS 87 Cb 0.51 -3.91 0.00 0.00 -0.65 0.00 0.00 35.03 30.98 1xk8 n LYS 87 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xk8 n GLY 88 N -2.36 2.20 3.94 2.58 0.00 -1.26 -5.01 105.19 105.28 1xk8 n GLY 88 Ca -0.31 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 1xk8 n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xk8 s LYS 89 N 0.00 3.50 -0.23 1.61 -2.85 0.50 -5.06 119.74 117.20 1xk8 s LYS 89 Ca 0.00 -0.29 -0.14 0.00 -1.00 0.00 0.00 55.97 54.54 1xk8 s LYS 89 Cb 0.00 -2.65 -0.04 0.00 -2.06 0.00 0.00 37.83 33.08 1xk8 s LYS 89 CO 0.00 0.14 0.31 0.42 0.10 0.00 0.00 175.35 176.33 1xk8 s ILE 90 N -2.31 5.25 0.12 3.79 1.01 -1.26 0.92 121.20 128.71 1xk8 s ILE 90 Ca 0.40 0.50 0.04 0.00 0.00 0.00 0.00 60.65 61.59 1xk8 s ILE 90 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1xk8 s ILE 90 CO 0.36 0.26 0.13 -1.61 0.00 0.00 0.00 174.94 174.08 1xk8 s GLU 91 N 1.40 2.98 -0.09 2.79 0.41 0.83 -4.96 118.70 122.06 1xk8 s GLU 91 Ca 0.14 -0.73 0.02 0.00 -0.41 0.00 0.00 54.97 53.99 1xk8 s GLU 91 Cb -0.15 -2.74 0.01 0.00 -1.78 0.00 0.00 34.13 29.48 1xk8 s GLU 91 CO 0.07 0.53 -0.14 -1.21 -0.49 0.00 0.00 175.26 174.03 1xk8 s GLU 92 N -2.75 2.01 0.11 1.61 2.02 -1.26 -2.62 118.70 117.82 1xk8 s GLU 92 Ca 0.31 -0.49 0.05 0.00 0.02 0.00 0.00 54.97 54.86 1xk8 s GLU 92 Cb -0.11 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 1xk8 s GLU 92 CO 0.24 -0.04 -0.13 -0.51 0.02 0.00 0.00 175.26 174.83 1xk8 s ASP 93 N 0.93 1.83 0.10 -0.19 -0.00 -0.91 -4.96 116.67 113.46 1xk8 s ASP 93 Ca -0.09 -0.77 -0.30 0.00 -0.00 0.00 0.00 52.55 51.39 1xk8 s ASP 93 Cb -0.15 -0.05 -0.06 0.00 -0.00 0.00 0.00 42.92 42.66 1xk8 s ASP 93 CO -0.00 -0.15 1.01 -0.44 -0.00 0.00 0.00 175.17 175.59 1xk8 s SER 94 N -2.31 7.39 0.20 0.27 0.01 -1.26 -1.27 113.70 116.74 1xk8 s SER 94 Ca 0.06 1.84 -0.04 0.00 1.31 0.00 0.00 55.95 59.12 1xk8 s SER 94 Cb -0.06 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 1xk8 s SER 94 CO 0.02 -0.17 0.22 -1.61 0.41 0.00 0.00 173.24 172.11 1xk8 s GLU 95 N 0.23 1.25 -0.01 12.44 2.02 0.26 -4.70 118.70 130.18 1xk8 s GLU 95 Ca 0.49 -1.49 0.06 0.00 0.02 0.00 0.00 54.97 54.06 1xk8 s GLU 95 Cb -0.25 0.32 -0.02 0.00 0.10 0.00 0.00 34.13 34.29 1xk8 s GLU 95 CO 0.30 -0.44 -0.20 0.08 0.02 0.00 0.00 175.26 175.02 1xk8 s VAL 96 N -4.10 1.57 -0.12 2.63 1.01 0.25 -1.65 120.40 119.98 1xk8 s VAL 96 Ca 0.32 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1xk8 s VAL 96 Cb 0.05 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1xk8 s VAL 96 CO 0.09 0.43 -0.08 -0.22 0.00 0.00 0.00 175.10 175.33 1xk8 s LEU 97 N -0.49 3.02 -0.17 3.92 2.96 0.09 -0.54 118.68 127.47 1xk8 s LEU 97 Ca 0.08 -0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 1xk8 s LEU 97 Cb -0.08 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1xk8 s LEU 97 CO -0.01 0.22 0.09 -0.04 -1.32 0.00 0.00 176.35 175.29 1xk8 s MET 98 N 0.03 3.85 -0.38 1.98 -1.94 0.72 0.14 119.30 123.70 1xk8 s MET 98 Ca -0.02 -0.28 -0.07 0.00 -1.71 0.00 0.00 55.69 53.61 1xk8 s MET 98 Cb -0.14 -3.23 0.07 0.00 2.01 0.00 0.00 34.83 33.54 1xk8 s MET 98 CO 0.03 0.41 0.18 1.41 -0.01 0.00 0.00 175.02 177.05 1xk8 s MET 99 N -0.00 2.54 -0.23 2.03 1.75 0.89 -1.47 119.30 124.81 1xk8 s MET 99 Ca 0.07 -1.38 -0.09 0.00 -1.25 0.00 0.00 55.69 53.05 1xk8 s MET 99 Cb -0.12 -3.61 -0.04 0.00 2.84 0.00 0.00 34.83 33.90 1xk8 s MET 99 CO 0.00 -0.84 0.10 0.42 -0.65 0.00 0.00 175.02 174.06 1xk8 s ILE 100 N 1.38 4.84 -0.25 10.11 1.01 0.11 -0.76 121.20 137.65 1xk8 s ILE 100 Ca 0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1xk8 s ILE 100 Cb -0.21 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1xk8 s ILE 100 CO 0.02 0.37 0.07 -0.54 0.00 0.00 0.00 174.94 174.86 1xk8 s LYS 101 N 1.10 3.68 0.31 2.79 1.02 -0.46 0.21 119.74 128.39 1xk8 s LYS 101 Ca 0.05 -0.46 -0.14 0.00 0.02 0.00 0.00 55.97 55.44 1xk8 s LYS 101 Cb -0.14 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1xk8 s LYS 101 CO 0.04 -0.16 0.62 -0.08 -0.92 0.00 0.00 175.35 174.85 1xk8 s THR 102 N 1.55 0.00 0.52 2.17 -1.32 -0.72 -1.31 115.64 116.53 1xk8 s THR 102 Ca 0.06 -1.23 -0.22 0.00 -1.21 0.00 0.00 61.69 59.09 1xk8 s THR 102 Cb -0.15 -2.38 -0.06 0.00 -1.51 0.00 0.00 72.50 68.40 1xk8 s THR 102 CO 0.04 0.00 1.28 -1.10 -2.21 0.00 0.00 174.62 172.63 1xk8 s GLN 103 N -3.42 3.34 0.26 7.08 -0.21 -1.26 -0.35 119.66 125.10 1xk8 s GLN 103 Ca 0.19 2.05 0.02 0.00 0.02 0.00 0.00 55.36 57.64 1xk8 s GLN 103 Cb -0.03 -2.29 0.33 0.00 1.00 0.00 0.00 33.01 32.02 1xk8 s GLN 103 CO 0.11 -0.97 1.65 0.77 -2.12 0.00 0.00 175.29 174.73 1xk8 h SER 104 N 1.63 0.45 0.23 5.90 0.02 -0.48 -2.70 113.55 118.60 1xk8 h SER 104 Ca -0.50 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.25 1xk8 h SER 104 Cb 1.28 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1xk8 h SER 104 CO 0.58 0.79 -0.04 0.77 -1.14 0.00 0.00 176.83 177.79 1xk8 h SER 105 N 0.36 0.00 0.47 3.07 4.64 -1.92 -2.36 113.55 117.82 1xk8 h SER 105 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1xk8 h SER 105 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1xk8 h SER 105 CO 0.07 0.04 -0.33 0.18 -0.87 0.00 0.00 176.83 175.92 1xk8 n LEU 106 N -3.46 0.57 -0.21 5.97 4.77 -1.02 -4.42 117.00 119.21 1xk8 n LEU 106 Ca -0.02 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1xk8 n LEU 106 Cb 0.15 -0.24 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1xk8 n LEU 106 CO 0.26 0.12 1.08 0.58 -1.33 0.00 0.00 177.39 178.10 1xk8 h VAL 107 N 0.37 1.01 -0.58 4.08 2.07 -1.45 0.20 116.25 121.96 1xk8 h VAL 107 Ca 0.00 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1xk8 h VAL 107 Cb 0.48 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1xk8 h VAL 107 CO 0.00 0.12 0.29 -0.65 0.02 0.00 0.00 177.57 177.36 1xk8 h PRO 108 N 0.67 0.54 -0.65 1.57 0.11 -1.80 0.12 132.00 132.56 1xk8 h PRO 108 Ca 0.26 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 1xk8 h PRO 108 Cb 0.10 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 1xk8 h PRO 108 CO -0.14 0.36 0.11 0.00 -0.21 0.00 0.00 178.00 178.12 1xk8 h ALA 109 N 1.32 0.97 -0.45 -0.75 0.00 -1.61 -1.16 119.26 117.57 1xk8 h ALA 109 Ca 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xk8 h ALA 109 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1xk8 h ALA 109 CO -0.18 0.65 0.26 1.25 0.00 0.00 0.00 179.25 181.23 1xk8 h LEU 110 N 1.00 0.56 -0.21 0.00 5.85 -0.24 -2.13 115.31 120.14 1xk8 h LEU 110 Ca 0.20 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1xk8 h LEU 110 Cb 0.42 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1xk8 h LEU 110 CO 0.01 0.47 0.10 0.74 -0.34 0.00 0.00 178.44 179.42 1xk8 h THR 111 N 0.60 1.14 -0.51 1.05 2.02 -0.50 -1.24 112.91 115.46 1xk8 h THR 111 Ca 0.16 -0.40 0.06 0.00 0.77 0.00 0.00 66.41 67.01 1xk8 h THR 111 Cb 0.03 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1xk8 h THR 111 CO -0.03 0.13 0.21 0.44 0.37 0.00 0.00 175.52 176.64 1xk8 h ASP 112 N 0.21 0.24 -0.28 4.18 3.32 -1.13 0.32 116.42 123.28 1xk8 h ASP 112 Ca 0.07 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xk8 h ASP 112 Cb 0.12 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1xk8 h ASP 112 CO -0.01 0.17 0.16 0.15 -1.72 0.00 0.00 179.24 177.99 1xk8 h PHE 113 N 0.40 0.38 -0.66 4.55 3.04 -1.19 -2.21 116.94 121.25 1xk8 h PHE 113 Ca 0.24 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.19 1xk8 h PHE 113 Cb 0.23 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 1xk8 h PHE 113 CO -0.14 0.29 0.43 0.28 -2.02 0.00 0.00 178.31 177.15 1xk8 h VAL 114 N 0.35 1.17 0.10 1.41 2.07 -0.63 -2.83 116.25 117.90 1xk8 h VAL 114 Ca 0.10 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1xk8 h VAL 114 Cb 0.03 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1xk8 h VAL 114 CO -0.02 0.17 -0.11 0.03 0.02 0.00 0.00 177.57 177.66 1xk8 h ARG 115 N 0.89 -0.23 -7.17 1.57 3.08 -0.42 -3.22 114.38 108.89 1xk8 h ARG 115 Ca 0.24 0.02 -0.51 0.00 0.07 0.00 0.00 59.98 59.80 1xk8 h ARG 115 Cb -0.10 0.05 0.09 0.00 0.08 0.00 0.00 29.97 30.10 1xk8 h ARG 115 CO -0.05 -0.15 0.39 -1.54 -1.07 0.00 0.00 179.97 177.55 1xk8 s SER 116 N -4.99 5.28 0.00 7.04 1.04 -0.88 -2.09 113.70 119.10 1xk8 s SER 116 Ca -0.14 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.34 1xk8 s SER 116 Cb 0.07 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1xk8 s SER 116 CO 0.66 -1.51 0.00 0.52 0.98 0.00 0.00 173.24 173.88 1xk8 n VAL 117 N -2.10 0.00 -4.10 5.02 0.31 -1.26 -4.80 118.33 111.41 1xk8 n VAL 117 Ca 0.11 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 63.97 1xk8 n VAL 117 Cb 0.52 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.47 1xk8 n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xk8 n HIS 118 N -1.79 -1.34 -0.26 3.52 1.44 -0.89 -4.87 115.22 111.04 1xk8 n HIS 118 Ca 0.00 0.04 0.05 0.00 -2.01 0.00 0.00 57.72 55.80 1xk8 n HIS 118 Cb 0.00 -2.70 0.18 0.00 0.12 0.00 0.00 29.99 27.59 1xk8 n HIS 118 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1xk8 h PRO 119 N -2.59 0.53 -4.78 -1.40 0.13 -1.85 -3.44 132.00 118.60 1xk8 h PRO 119 Ca -0.71 -0.03 -0.34 0.00 -0.87 0.00 0.00 66.00 64.05 1xk8 h PRO 119 Cb 1.39 -0.12 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 1xk8 h PRO 119 CO 0.51 0.35 -0.59 0.71 -0.23 0.00 0.00 178.00 178.75 1xk8 s TYR 120 N -6.02 1.44 0.12 1.56 2.02 -1.26 -4.88 117.35 110.32 1xk8 s TYR 120 Ca -0.12 -1.34 -0.22 0.00 -0.37 0.00 0.00 57.07 55.02 1xk8 s TYR 120 Cb 0.20 -0.76 -0.07 0.00 -0.40 0.00 0.00 41.96 40.94 1xk8 s TYR 120 CO 0.77 -0.53 1.70 0.93 -1.57 0.00 0.00 175.55 176.85 1xk8 h GLU 121 N 2.40 -0.07 -4.62 -0.62 5.08 -1.98 -3.37 114.58 111.40 1xk8 h GLU 121 Ca -0.35 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.33 1xk8 h GLU 121 Cb 1.25 0.02 -0.35 0.00 0.50 0.00 0.00 28.75 30.16 1xk8 h GLU 121 CO 0.54 -0.05 -0.63 0.08 -1.00 0.00 0.00 179.01 177.95 1xk8 s VAL 122 N -6.18 2.99 0.07 3.13 1.01 -1.26 -5.09 120.40 115.07 1xk8 s VAL 122 Ca -0.14 -1.87 -0.29 0.00 0.00 0.00 0.00 61.98 59.69 1xk8 s VAL 122 Cb 0.09 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1xk8 s VAL 122 CO 0.67 -0.46 0.93 0.00 0.00 0.00 0.00 175.10 176.24 1xk8 s ALA 123 N 1.14 3.25 -0.31 5.51 0.00 -1.26 -5.01 121.76 125.07 1xk8 s ALA 123 Ca 0.04 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.22 1xk8 s ALA 123 Cb -0.21 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1xk8 s ALA 123 CO -0.04 -0.06 1.48 -2.00 0.00 0.00 0.00 175.76 175.14 1xk8 s GLU 124 N 0.24 3.73 -0.14 0.00 2.12 -1.26 -4.98 118.70 118.42 1xk8 s GLU 124 Ca 0.47 1.31 -0.02 0.00 0.36 0.00 0.00 54.97 57.08 1xk8 s GLU 124 Cb -0.22 -4.00 0.05 0.00 0.26 0.00 0.00 34.13 30.22 1xk8 s GLU 124 CO 0.28 -1.37 0.02 0.08 -0.54 0.00 0.00 175.26 173.74 1xk8 s VAL 125 N 5.16 0.44 -0.05 3.70 1.01 -1.26 -3.44 120.40 125.95 1xk8 s VAL 125 Ca 0.65 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1xk8 s VAL 125 Cb -0.19 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.41 1xk8 s VAL 125 CO 0.29 0.00 -0.12 0.27 0.00 0.00 0.00 175.10 175.54 1xk8 s ILE 126 N 1.92 1.10 -0.15 2.22 -4.36 -0.90 -4.96 121.20 116.08 1xk8 s ILE 126 Ca 0.02 -0.48 -0.02 0.00 -0.26 0.00 0.00 60.65 59.90 1xk8 s ILE 126 Cb -0.15 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.54 1xk8 s ILE 126 CO -0.07 0.34 -0.07 0.00 0.24 0.00 0.00 174.94 175.38 1xk8 s ALA 127 N 0.50 2.85 -0.11 2.27 0.00 -1.26 0.39 121.76 126.40 1xk8 s ALA 127 Ca -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1xk8 s ALA 127 Cb -0.14 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 1xk8 s ALA 127 CO 0.03 0.20 -0.14 -0.51 0.00 0.00 0.00 175.76 175.34 1xk8 s LEU 128 N 0.41 2.70 0.19 0.00 1.43 -0.35 -4.94 118.68 118.12 1xk8 s LEU 128 Ca -0.06 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 1xk8 s LEU 128 Cb -0.15 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.40 1xk8 s LEU 128 CO 0.04 0.20 0.81 -2.16 0.23 0.00 0.00 176.35 175.47 1xk8 s PRO 129 N 0.12 4.58 -0.42 1.29 0.04 -1.26 -0.71 135.00 138.64 1xk8 s PRO 129 Ca -0.06 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 1xk8 s PRO 129 Cb -0.15 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1xk8 s PRO 129 CO 0.05 0.53 0.62 0.08 0.04 0.00 0.00 177.00 178.31 1xk8 s VAL 130 N -1.22 4.87 -0.01 -0.36 1.01 -0.23 -4.88 120.40 119.58 1xk8 s VAL 130 Ca 0.38 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.32 1xk8 s VAL 130 Cb -0.23 -4.16 -0.27 0.00 0.00 0.00 0.00 36.38 31.72 1xk8 s VAL 130 CO 0.26 -0.52 1.02 -0.08 0.00 0.00 0.00 175.10 175.79 1xk8 h GLU 131 N 8.78 0.38 -4.53 2.72 4.81 -1.93 0.73 114.58 125.54 1xk8 h GLU 131 Ca -0.26 -0.50 -0.22 0.00 -0.13 0.00 0.00 59.36 58.25 1xk8 h GLU 131 Cb 1.10 0.16 -0.15 0.00 0.63 0.00 0.00 28.75 30.49 1xk8 h GLU 131 CO 0.87 1.18 -0.62 -0.65 -0.73 0.00 0.00 179.01 179.06 1xk8 s GLN 132 N -2.89 1.12 0.00 1.92 -0.21 -1.26 -4.43 119.66 113.91 1xk8 s GLN 132 Ca -0.13 -1.56 0.00 0.00 0.02 0.00 0.00 55.36 53.69 1xk8 s GLN 132 Cb 0.03 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.30 1xk8 s GLN 132 CO 0.83 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 174.06 1xk8 n GLY 133 N -0.22 -0.94 3.58 3.09 0.00 -1.26 -5.09 105.19 104.36 1xk8 n GLY 133 Ca -0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1xk8 n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xk8 s ASN 134 N -4.00 6.23 0.14 1.61 2.47 -1.26 -4.94 114.94 115.19 1xk8 s ASN 134 Ca 0.00 0.41 -0.24 0.00 0.42 0.00 0.00 52.86 53.45 1xk8 s ASN 134 Cb 0.00 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.25 1xk8 s ASN 134 CO 0.00 -1.60 1.64 0.15 -3.72 0.00 0.00 177.10 173.56 1xk8 h PHE 135 N 10.77 -0.64 -0.80 0.43 3.04 -1.98 0.18 116.94 127.95 1xk8 h PHE 135 Ca -0.27 0.03 0.16 0.00 3.98 0.00 0.00 57.97 61.87 1xk8 h PHE 135 Cb 1.09 0.30 -0.15 0.00 2.56 0.00 0.00 35.95 39.75 1xk8 h PHE 135 CO 1.02 -0.32 -0.22 -1.35 -2.02 0.00 0.00 178.31 175.42 1xk8 h PRO 136 N -0.30 -0.01 -0.42 6.41 0.11 -1.98 0.53 132.00 136.35 1xk8 h PRO 136 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1xk8 h PRO 136 Cb 0.45 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1xk8 h PRO 136 CO -0.31 -0.01 0.14 -0.92 -0.21 0.00 0.00 178.00 176.69 1xk8 h TYR 137 N -0.01 0.66 -0.87 0.65 5.03 -1.62 0.17 116.97 120.99 1xk8 h TYR 137 Ca 0.37 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.60 1xk8 h TYR 137 Cb 0.59 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.63 1xk8 h TYR 137 CO -0.64 0.60 0.46 -0.07 -1.32 0.00 0.00 178.16 177.19 1xk8 h LEU 138 N 0.53 1.09 -0.82 2.82 3.38 -0.04 -0.84 115.31 121.43 1xk8 h LEU 138 Ca 0.14 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1xk8 h LEU 138 Cb 0.25 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xk8 h LEU 138 CO -0.01 0.88 0.05 -0.61 0.09 0.00 0.00 178.44 178.85 1xk8 h GLN 139 N 1.22 0.94 -0.61 1.13 4.15 0.38 -2.89 115.11 119.41 1xk8 h GLN 139 Ca 0.30 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1xk8 h GLN 139 Cb 0.05 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1xk8 h GLN 139 CO -0.05 0.90 0.33 2.35 -1.93 0.00 0.00 178.83 180.43 1xk8 h TRP 140 N 0.87 0.85 -0.83 3.99 7.01 0.02 0.43 115.95 128.29 1xk8 h TRP 140 Ca 0.17 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.17 1xk8 h TRP 140 Cb 0.45 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 1xk8 h TRP 140 CO 0.03 0.61 0.55 0.28 -2.79 0.00 0.00 178.44 177.12 1xk8 h VAL 141 N 0.84 1.19 -0.01 2.65 2.07 -1.05 -1.55 116.25 120.38 1xk8 h VAL 141 Ca 0.22 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1xk8 h VAL 141 Cb 0.05 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1xk8 h VAL 141 CO -0.03 0.20 -0.01 -0.09 0.02 0.00 0.00 177.57 177.66 1xk8 h ARG 142 N 1.09 0.03 -0.52 1.57 2.43 -1.29 -3.20 114.38 114.49 1xk8 h ARG 142 Ca 0.31 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.54 1xk8 h ARG 142 Cb -0.07 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 1xk8 h ARG 142 CO -0.08 0.45 0.21 1.96 -1.51 0.00 0.00 179.97 181.00 1xk8 h GLN 143 N -0.40 0.39 -0.01 0.20 4.20 -0.47 -1.91 115.11 117.11 1xk8 h GLN 143 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1xk8 h GLN 143 Cb 0.44 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1xk8 h GLN 143 CO 0.00 0.26 0.00 1.33 -0.67 0.00 0.00 178.83 179.75 1xk8 n VAL 144 N -4.97 0.01 -0.00 -0.54 0.24 -0.62 -3.43 118.33 109.01 1xk8 n VAL 144 Ca 0.06 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1xk8 n VAL 144 Cb 0.19 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 1xk8 n VAL 144 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xk8 n THR 145 N -0.76 0.01 0.72 3.34 -2.24 -0.77 -4.85 114.28 109.72 1xk8 n THR 145 Ca 0.19 -0.50 0.06 0.00 -2.27 0.00 0.00 64.05 61.53 1xk8 n THR 145 Cb 0.12 1.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.69 1xk8 n THR 145 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66