#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 4.74 0.16 2.97 1.01 -1.26 -4.99 120.40 123.02 1xk8 s VAL 41 Ca 0.00 1.62 -0.34 0.00 0.00 0.00 0.00 61.98 63.26 1xk8 s VAL 41 Cb 0.00 -4.21 -0.15 0.00 0.00 0.00 0.00 36.38 32.01 1xk8 s VAL 41 CO 0.00 -0.20 1.33 -2.65 0.00 0.00 0.00 175.10 173.58 1xk8 n PRO 42 N 6.26 1.48 -1.01 2.72 -0.02 -1.26 -2.11 135.00 141.05 1xk8 n PRO 42 Ca 0.08 0.53 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1xk8 n PRO 42 Cb 0.47 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.41 0.43 0.09 -1.23 0.00 0.52 -4.89 105.19 102.52 1xk8 n GLY 43 Ca 0.16 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.40 1.61 4.64 -1.62 -3.43 113.55 111.35 1xk8 h SER 44 Ca -0.01 -0.14 -0.67 0.00 -0.47 0.00 0.00 61.79 60.50 1xk8 h SER 44 Cb 0.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.13 1xk8 h SER 44 CO 0.01 0.07 -0.65 -0.69 -0.87 0.00 0.00 176.83 174.70 1xk8 s VAL 45 N -3.17 4.12 0.16 0.95 1.01 -1.26 0.14 120.40 122.36 1xk8 s VAL 45 Ca 0.07 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1xk8 s VAL 45 Cb 0.12 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1xk8 s VAL 45 CO 0.69 0.49 -0.17 -0.44 0.00 0.00 0.00 175.10 175.67 1xk8 s SER 46 N -1.22 2.54 -0.32 3.32 0.01 0.58 -0.99 113.70 117.62 1xk8 s SER 46 Ca 0.16 -0.87 -0.05 0.00 1.31 0.00 0.00 55.95 56.50 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 0.06 -0.07 0.07 0.00 0.41 0.00 0.00 173.24 173.71 1xk8 s ALA 47 N -2.17 2.97 -0.13 1.44 0.00 0.37 -1.81 121.76 122.43 1xk8 s ALA 47 Ca 0.15 -1.72 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 1xk8 s ALA 47 Cb -0.05 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1xk8 s ALA 47 CO 0.06 -1.27 0.18 0.00 0.00 0.00 0.00 175.76 174.73 1xk8 s ALA 48 N 1.37 3.78 -0.17 0.00 0.00 0.11 -1.13 121.76 125.72 1xk8 s ALA 48 Ca -0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1xk8 s ALA 48 Cb -0.19 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 1xk8 s ALA 48 CO 0.01 0.43 -0.02 -0.06 0.00 0.00 0.00 175.76 176.12 1xk8 s PHE 49 N -0.50 3.04 -0.06 0.00 0.40 0.16 0.12 117.98 121.14 1xk8 s PHE 49 Ca 0.14 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1xk8 s PHE 49 Cb -0.12 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.43 1xk8 s PHE 49 CO 0.03 -0.08 -0.08 0.08 0.70 0.00 0.00 175.22 175.87 1xk8 s VAL 50 N 0.54 0.87 -0.10 -0.44 1.01 -0.38 -2.05 120.40 119.85 1xk8 s VAL 50 Ca -0.02 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1xk8 s VAL 50 Cb -0.14 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1xk8 s VAL 50 CO 0.02 0.30 0.34 -0.89 0.00 0.00 0.00 175.10 174.87 1xk8 s THR 51 N 0.87 5.22 0.12 3.92 2.01 -1.24 -0.28 115.64 126.26 1xk8 s THR 51 Ca -0.11 0.66 0.09 0.00 0.31 0.00 0.00 61.69 62.63 1xk8 s THR 51 Cb -0.15 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1xk8 s THR 51 CO 0.01 0.47 -0.21 0.00 -0.69 0.00 0.00 174.62 174.20 1xk8 h PRO 53 N 3.87 0.14 -3.23 0.00 0.13 -1.85 0.13 132.00 131.19 1xk8 h PRO 53 Ca -0.46 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1xk8 h PRO 53 Cb 1.18 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1xk8 h PRO 53 CO 0.42 0.25 0.14 0.54 -0.23 0.00 0.00 178.00 179.12 1xk8 s ASN 54 N -6.94 -0.03 0.17 1.44 2.20 -1.26 -4.27 114.94 106.26 1xk8 s ASN 54 Ca -0.05 -0.92 -0.11 0.00 -0.94 0.00 0.00 52.86 50.84 1xk8 s ASN 54 Cb 0.16 0.74 0.07 0.00 -2.00 0.00 0.00 41.25 40.21 1xk8 s ASN 54 CO 0.71 -1.41 1.68 -0.08 -2.94 0.00 0.00 177.10 175.06 1xk8 h GLU 55 N 2.06 0.96 0.03 3.55 4.81 -1.94 -2.66 114.58 121.40 1xk8 h GLU 55 Ca -0.25 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1xk8 h GLU 55 Cb 1.25 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1xk8 h GLU 55 CO 0.32 0.88 -0.21 -0.22 -0.73 0.00 0.00 179.01 179.05 1xk8 h LYS 56 N 0.87 -0.34 -0.44 1.92 3.64 -1.99 -0.01 116.57 120.22 1xk8 h LYS 56 Ca 0.19 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1xk8 h LYS 56 Cb 0.35 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1xk8 h LYS 56 CO 0.00 -0.23 0.11 0.28 -2.27 0.00 0.00 179.45 177.34 1xk8 h VAL 57 N -0.36 1.23 -0.45 2.00 2.07 -1.99 -1.70 116.25 117.06 1xk8 h VAL 57 Ca 0.05 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.80 1xk8 h VAL 57 Cb 0.42 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1xk8 h VAL 57 CO -0.17 0.29 0.21 0.00 0.02 0.00 0.00 177.57 177.91 1xk8 h ALA 58 N 0.97 0.57 -0.39 1.67 0.00 -1.22 -0.83 119.26 120.02 1xk8 h ALA 58 Ca 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xk8 h ALA 58 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xk8 h ALA 58 CO 0.00 -0.15 0.22 0.87 0.00 0.00 0.00 179.25 180.19 1xk8 h LYS 59 N 0.42 0.54 -0.17 0.00 1.57 -0.83 0.20 116.57 118.30 1xk8 h LYS 59 Ca 0.20 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1xk8 h LYS 59 Cb 0.14 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1xk8 h LYS 59 CO -0.16 0.43 -0.01 0.93 -0.57 0.00 0.00 179.45 180.07 1xk8 h GLU 60 N 0.51 0.04 -0.41 3.15 5.08 -0.94 0.12 114.58 122.13 1xk8 h GLU 60 Ca 0.14 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1xk8 h GLU 60 Cb 0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1xk8 h GLU 60 CO -0.02 0.03 0.02 0.82 -1.00 0.00 0.00 179.01 178.85 1xk8 h ILE 61 N 0.04 1.26 -0.01 3.13 2.04 -1.00 -1.82 117.51 121.15 1xk8 h ILE 61 Ca 0.08 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 64.98 1xk8 h ILE 61 Cb 0.10 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1xk8 h ILE 61 CO -0.14 0.34 -0.14 0.00 0.00 0.00 0.00 178.15 178.20 1xk8 h ALA 62 N 0.90 -0.15 -0.61 1.87 0.00 -0.30 -0.81 119.26 120.15 1xk8 h ALA 62 Ca 0.12 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1xk8 h ALA 62 Cb 0.46 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1xk8 h ALA 62 CO 0.02 -0.63 0.34 0.00 0.00 0.00 0.00 179.25 178.98 1xk8 h ARG 63 N -0.23 0.62 0.15 0.00 3.08 -0.72 -2.75 114.38 114.52 1xk8 h ARG 63 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1xk8 h ARG 63 Cb 0.29 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1xk8 h ARG 63 CO -0.15 0.41 -0.07 0.00 -1.07 0.00 0.00 179.97 179.09 1xk8 h ALA 64 N 1.32 -0.20 -0.44 0.04 0.00 -0.92 -0.89 119.26 118.16 1xk8 h ALA 64 Ca 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xk8 h ALA 64 Cb 0.15 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xk8 h ALA 64 CO -0.17 -0.56 0.21 -0.39 0.00 0.00 0.00 179.25 178.34 1xk8 h VAL 65 N -0.30 1.15 -0.07 0.00 -1.51 -1.07 0.19 116.25 114.64 1xk8 h VAL 65 Ca -0.02 -0.42 -0.03 0.00 -1.23 0.00 0.00 66.70 65.00 1xk8 h VAL 65 Cb 0.23 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1xk8 h VAL 65 CO 0.03 0.17 -0.09 0.58 -1.23 0.00 0.00 177.57 177.04 1xk8 h VAL 66 N 0.62 1.39 -0.71 7.19 2.07 -1.40 0.14 116.25 125.54 1xk8 h VAL 66 Ca 0.16 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1xk8 h VAL 66 Cb 0.06 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1xk8 h VAL 66 CO -0.02 0.36 0.45 -0.08 0.02 0.00 0.00 177.57 178.30 1xk8 h GLU 67 N -0.28 0.95 -0.03 1.57 4.22 -0.66 -0.98 114.58 119.36 1xk8 h GLU 67 Ca 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1xk8 h GLU 67 Cb 0.62 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xk8 h GLU 67 CO 0.02 0.64 0.00 1.63 -2.18 0.00 0.00 179.01 179.12 1xk8 n LYS 68 N -4.41 1.17 -1.43 1.92 4.01 0.61 -4.92 118.16 115.11 1xk8 n LYS 68 Ca 0.07 -0.25 -0.15 0.00 -0.51 0.00 0.00 58.31 57.48 1xk8 n LYS 68 Cb 0.05 -1.34 -0.06 0.00 -0.51 0.00 0.00 35.03 33.16 1xk8 n LYS 68 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1xk8 n ARG 69 N -0.56 -1.10 0.05 1.97 5.12 -0.37 -4.87 116.66 116.90 1xk8 n ARG 69 Ca 0.16 1.01 0.13 0.00 -1.93 0.00 0.00 57.85 57.22 1xk8 n ARG 69 Cb 0.13 -5.16 0.40 0.00 -1.16 0.00 0.00 32.46 26.67 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 -1.67 0.52 -3.76 0.55 4.77 0.45 -4.62 117.00 113.23 1xk8 n LEU 70 Ca -0.15 0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1xk8 n LEU 70 Cb 0.50 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1xk8 n LEU 70 CO 0.22 -0.06 0.02 0.00 -1.33 0.00 0.00 177.39 176.24 1xk8 s ALA 71 N -3.07 -0.77 0.01 -1.18 0.00 -1.07 -4.77 121.76 110.91 1xk8 s ALA 71 Ca 0.11 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 1xk8 s ALA 71 Cb 0.15 0.10 -0.29 0.00 0.00 0.00 0.00 23.12 23.08 1xk8 s ALA 71 CO 0.62 -0.28 1.03 0.00 0.00 0.00 0.00 175.76 177.13 1xk8 h ALA 72 N 3.79 -0.03 -2.54 0.00 0.00 -1.44 -3.39 119.26 115.66 1xk8 h ALA 72 Ca -0.30 -0.71 0.11 0.00 0.00 0.00 0.00 54.91 54.01 1xk8 h ALA 72 Cb 1.18 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 1xk8 h ALA 72 CO 0.41 0.52 0.40 0.00 0.00 0.00 0.00 179.25 180.58 1xk8 s VAL 74 N -3.42 0.58 -0.15 0.00 1.01 -1.26 -1.23 120.40 115.93 1xk8 s VAL 74 Ca 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 1xk8 s VAL 74 Cb -0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1xk8 s VAL 74 CO -0.02 0.21 0.05 0.20 0.00 0.00 0.00 175.10 175.54 1xk8 s ASN 75 N 0.47 5.60 -0.24 3.32 0.01 -0.07 -4.95 114.94 119.08 1xk8 s ASN 75 Ca -0.06 0.13 -0.07 0.00 -0.71 0.00 0.00 52.86 52.15 1xk8 s ASN 75 Cb -0.10 -1.87 -0.03 0.00 0.41 0.00 0.00 41.25 39.66 1xk8 s ASN 75 CO 0.00 0.25 0.07 -0.76 -1.51 0.00 0.00 177.10 175.15 1xk8 s LEU 76 N -0.08 3.49 -0.36 0.60 1.43 -1.26 -0.20 118.68 122.29 1xk8 s LEU 76 Ca 0.06 -0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1xk8 s LEU 76 Cb -0.12 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1xk8 s LEU 76 CO 0.01 0.00 0.15 -0.63 0.23 0.00 0.00 176.35 176.12 1xk8 s ILE 77 N 1.41 4.14 0.76 -0.59 1.01 0.17 -4.97 121.20 123.13 1xk8 s ILE 77 Ca 0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1xk8 s ILE 77 Cb -0.15 -3.34 0.15 0.00 0.01 0.00 0.00 42.46 39.13 1xk8 s ILE 77 CO 0.03 -0.22 1.04 -2.16 0.00 0.00 0.00 174.94 173.64 1xk8 s PRO 78 N 1.47 1.48 -1.35 2.79 0.04 -1.26 -0.68 135.00 137.49 1xk8 s PRO 78 Ca 0.00 -1.22 -0.06 0.00 0.04 0.00 0.00 61.00 59.76 1xk8 s PRO 78 Cb -0.19 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.06 1xk8 s PRO 78 CO 0.05 -1.60 1.00 1.04 0.04 0.00 0.00 177.00 177.52 1xk8 n GLN 79 N -2.93 -6.50 -3.44 4.56 6.02 -1.25 -4.92 117.38 108.91 1xk8 n GLN 79 Ca 0.17 0.74 -0.38 0.00 -0.01 0.00 0.00 57.00 57.51 1xk8 n GLN 79 Cb 0.61 -5.65 -0.06 0.00 1.02 0.00 0.00 30.24 26.15 1xk8 n GLN 79 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xk8 s ILE 80 N -3.39 4.96 -0.28 5.09 -1.09 -0.68 -4.96 121.20 120.85 1xk8 s ILE 80 Ca 0.36 0.93 -0.06 0.00 -2.23 0.00 0.00 60.65 59.64 1xk8 s ILE 80 Cb -0.17 -3.76 -0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1xk8 s ILE 80 CO 0.77 0.57 0.06 -0.89 -1.23 0.00 0.00 174.94 174.22 1xk8 s THR 81 N -1.04 3.95 -0.10 2.92 2.01 -1.26 -0.48 115.64 121.64 1xk8 s THR 81 Ca 0.25 -0.57 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 1xk8 s THR 81 Cb -0.17 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 1xk8 s THR 81 CO 0.15 0.17 0.34 -0.44 -0.69 0.00 0.00 174.62 174.15 1xk8 s SER 82 N 1.52 6.58 -0.19 3.53 0.01 -0.41 -4.93 113.70 119.81 1xk8 s SER 82 Ca 0.04 0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1xk8 s SER 82 Cb -0.16 -2.21 0.04 0.00 0.21 0.00 0.00 66.02 63.90 1xk8 s SER 82 CO 0.02 0.19 -0.08 -0.63 0.41 0.00 0.00 173.24 173.15 1xk8 s ILE 83 N -0.18 1.42 0.22 1.44 1.01 -1.26 -2.06 121.20 121.79 1xk8 s ILE 83 Ca 0.20 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 1xk8 s ILE 83 Cb -0.14 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1xk8 s ILE 83 CO 0.08 0.13 0.39 -0.72 0.00 0.00 0.00 174.94 174.82 1xk8 s TYR 84 N 1.49 0.44 -0.05 3.97 -0.85 -1.12 -5.00 117.35 116.22 1xk8 s TYR 84 Ca -0.01 -0.78 -0.22 0.00 -0.52 0.00 0.00 57.07 55.54 1xk8 s TYR 84 Cb -0.16 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.19 1xk8 s TYR 84 CO -0.08 -0.88 0.64 -2.00 -1.52 0.00 0.00 175.55 171.71 1xk8 s GLU 85 N -4.01 4.39 -0.63 -3.49 2.12 -1.26 0.15 118.70 115.97 1xk8 s GLU 85 Ca 0.22 0.78 0.01 0.00 0.36 0.00 0.00 54.97 56.34 1xk8 s GLU 85 Cb 0.01 -3.41 0.40 0.00 0.26 0.00 0.00 34.13 31.39 1xk8 s GLU 85 CO 0.06 0.17 1.67 0.91 -0.54 0.00 0.00 175.26 177.54 1xk8 n TRP 86 N 3.42 3.12 -2.13 5.30 5.03 0.32 -4.87 117.44 127.63 1xk8 n TRP 86 Ca -0.04 -2.67 -0.01 0.00 3.03 0.00 0.00 57.50 57.82 1xk8 n TRP 86 Cb 0.51 -0.83 0.00 0.00 -1.03 0.00 0.00 31.31 29.96 1xk8 n TRP 86 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 1xk8 n LYS 87 N -0.63 -0.58 0.00 -0.99 4.81 -1.26 -4.36 118.16 115.16 1xk8 n LYS 87 Ca 0.51 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.77 1xk8 n LYS 87 Cb 0.54 -3.20 0.00 0.00 0.02 0.00 0.00 35.03 32.38 1xk8 n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xk8 n GLY 88 N -1.32 3.07 3.88 3.14 0.00 -1.26 -5.04 105.19 107.67 1xk8 n GLY 88 Ca -0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 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 3.74 -0.22 1.61 0.00 -1.26 -5.08 119.74 118.53 1xk8 s LYS 89 Ca 0.00 0.16 -0.22 0.00 0.00 0.00 0.00 55.97 55.91 1xk8 s LYS 89 Cb 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 37.83 35.12 1xk8 s LYS 89 CO 0.00 0.34 0.70 0.42 0.00 0.00 0.00 175.35 176.81 1xk8 s ILE 90 N -1.82 4.95 0.12 3.79 1.01 -1.26 0.12 121.20 128.11 1xk8 s ILE 90 Ca 0.45 1.32 0.02 0.00 0.00 0.00 0.00 60.65 62.45 1xk8 s ILE 90 Cb -0.11 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1xk8 s ILE 90 CO 0.23 0.04 0.22 -1.61 0.00 0.00 0.00 174.94 173.82 1xk8 s GLU 91 N 2.28 3.30 -0.10 2.79 0.41 0.12 -4.90 118.70 122.61 1xk8 s GLU 91 Ca 0.31 -0.61 0.02 0.00 -0.41 0.00 0.00 54.97 54.28 1xk8 s GLU 91 Cb -0.16 -2.91 0.02 0.00 -1.78 0.00 0.00 34.13 29.30 1xk8 s GLU 91 CO 0.10 0.55 -0.14 -1.21 -0.49 0.00 0.00 175.26 174.06 1xk8 s GLU 92 N -2.92 2.08 0.13 1.61 2.02 -1.26 -2.80 118.70 117.55 1xk8 s GLU 92 Ca 0.34 -0.51 0.07 0.00 0.02 0.00 0.00 54.97 54.89 1xk8 s GLU 92 Cb -0.12 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 1xk8 s GLU 92 CO 0.27 -0.06 -0.17 -0.51 0.02 0.00 0.00 175.26 174.80 1xk8 s ASP 93 N 0.99 2.35 -0.02 -0.19 1.01 -0.88 -4.96 116.67 114.98 1xk8 s ASP 93 Ca -0.07 -0.77 -0.28 0.00 0.71 0.00 0.00 52.55 52.13 1xk8 s ASP 93 Cb -0.15 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.63 1xk8 s ASP 93 CO -0.01 -0.04 0.91 -0.44 0.21 0.00 0.00 175.17 175.80 1xk8 s SER 94 N -2.30 7.28 0.20 0.27 0.01 -1.26 -1.29 113.70 116.61 1xk8 s SER 94 Ca 0.09 1.55 -0.02 0.00 1.31 0.00 0.00 55.95 58.89 1xk8 s SER 94 Cb -0.07 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1xk8 s SER 94 CO 0.04 -0.23 0.14 -1.61 0.41 0.00 0.00 173.24 172.00 1xk8 s GLU 95 N 0.96 1.21 -0.02 12.44 0.41 0.37 -4.66 118.70 129.42 1xk8 s GLU 95 Ca 0.49 -1.61 0.06 0.00 -0.41 0.00 0.00 54.97 53.49 1xk8 s GLU 95 Cb -0.20 0.28 -0.01 0.00 -1.78 0.00 0.00 34.13 32.41 1xk8 s GLU 95 CO 0.26 -0.40 -0.19 0.08 -0.49 0.00 0.00 175.26 174.51 1xk8 s VAL 96 N -4.15 1.53 -0.15 2.63 1.01 0.44 -1.68 120.40 120.03 1xk8 s VAL 96 Ca 0.38 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1xk8 s VAL 96 Cb 0.07 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1xk8 s VAL 96 CO 0.12 0.43 -0.07 -0.22 0.00 0.00 0.00 175.10 175.36 1xk8 s LEU 97 N -0.45 3.07 -0.19 3.92 2.96 0.15 -0.35 118.68 127.79 1xk8 s LEU 97 Ca 0.07 -0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 1xk8 s LEU 97 Cb -0.07 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1xk8 s LEU 97 CO -0.01 0.17 0.09 -0.04 -1.32 0.00 0.00 176.35 175.25 1xk8 s MET 98 N 0.34 4.05 -0.39 1.98 -1.94 0.61 0.43 119.30 124.38 1xk8 s MET 98 Ca -0.06 -0.28 -0.08 0.00 -1.71 0.00 0.00 55.69 53.56 1xk8 s MET 98 Cb -0.15 -3.30 0.07 0.00 2.01 0.00 0.00 34.83 33.46 1xk8 s MET 98 CO 0.04 0.31 0.20 1.41 -0.01 0.00 0.00 175.02 176.97 1xk8 s MET 99 N 0.31 2.54 -0.26 2.03 1.75 0.71 -1.25 119.30 125.13 1xk8 s MET 99 Ca 0.06 -1.41 -0.10 0.00 -1.25 0.00 0.00 55.69 52.98 1xk8 s MET 99 Cb -0.12 -3.65 -0.05 0.00 2.84 0.00 0.00 34.83 33.85 1xk8 s MET 99 CO -0.01 -0.87 0.17 0.42 -0.65 0.00 0.00 175.02 174.07 1xk8 s ILE 100 N 1.38 5.25 -0.25 10.11 1.01 0.12 -0.89 121.20 137.93 1xk8 s ILE 100 Ca 0.02 0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 1xk8 s ILE 100 Cb -0.22 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1xk8 s ILE 100 CO 0.02 0.30 0.11 -0.54 0.00 0.00 0.00 174.94 174.83 1xk8 s LYS 101 N 1.41 3.82 0.30 2.79 3.01 -0.36 0.03 119.74 130.75 1xk8 s LYS 101 Ca 0.07 -0.39 -0.15 0.00 -1.01 0.00 0.00 55.97 54.48 1xk8 s LYS 101 Cb -0.15 -3.43 0.02 0.00 -1.01 0.00 0.00 37.83 33.26 1xk8 s LYS 101 CO 0.07 -0.10 0.64 -0.08 0.51 0.00 0.00 175.35 176.39 1xk8 s THR 102 N 1.45 0.00 0.45 2.17 -1.32 -0.75 -1.22 115.64 116.42 1xk8 s THR 102 Ca 0.06 -1.18 -0.24 0.00 -1.21 0.00 0.00 61.69 59.11 1xk8 s THR 102 Cb -0.15 -2.35 -0.08 0.00 -1.51 0.00 0.00 72.50 68.42 1xk8 s THR 102 CO 0.06 0.00 1.31 -1.10 -2.21 0.00 0.00 174.62 172.68 1xk8 s GLN 103 N -3.45 3.70 0.31 7.08 -0.21 -1.26 -0.30 119.66 125.53 1xk8 s GLN 103 Ca 0.17 2.16 0.07 0.00 0.02 0.00 0.00 55.36 57.78 1xk8 s GLN 103 Cb -0.04 -2.57 0.53 0.00 1.00 0.00 0.00 33.01 31.93 1xk8 s GLN 103 CO 0.10 -0.71 1.75 0.77 -2.12 0.00 0.00 175.29 175.08 1xk8 h SER 104 N 2.25 0.24 0.19 5.90 0.02 -0.58 -2.38 113.55 119.18 1xk8 h SER 104 Ca -0.50 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.35 1xk8 h SER 104 Cb 1.26 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1xk8 h SER 104 CO 0.61 0.58 -0.06 0.77 -1.14 0.00 0.00 176.83 177.59 1xk8 h SER 105 N 0.21 0.00 0.53 3.07 4.64 -1.92 -2.56 113.55 117.52 1xk8 h SER 105 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1xk8 h SER 105 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1xk8 h SER 105 CO 0.05 0.06 -0.31 0.18 -0.87 0.00 0.00 176.83 175.95 1xk8 n LEU 106 N -3.75 0.48 -0.26 5.97 4.77 -0.90 -4.41 117.00 118.91 1xk8 n LEU 106 Ca -0.02 0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1xk8 n LEU 106 Cb 0.16 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1xk8 n LEU 106 CO 0.29 0.11 1.15 0.58 -1.33 0.00 0.00 177.39 178.18 1xk8 h VAL 107 N 0.28 1.06 -0.63 4.08 2.07 -1.48 0.27 116.25 121.89 1xk8 h VAL 107 Ca 0.00 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1xk8 h VAL 107 Cb 0.48 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1xk8 h VAL 107 CO 0.00 0.16 0.37 -0.65 0.02 0.00 0.00 177.57 177.46 1xk8 h PRO 108 N 0.86 0.68 -0.40 1.57 0.11 -1.81 0.74 132.00 133.75 1xk8 h PRO 108 Ca 0.31 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.27 1xk8 h PRO 108 Cb 0.09 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1xk8 h PRO 108 CO -0.14 0.45 -0.19 0.00 -0.21 0.00 0.00 178.00 177.91 1xk8 h ALA 109 N 1.31 0.91 -0.40 -0.75 0.00 -1.57 -1.33 119.26 117.43 1xk8 h ALA 109 Ca 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1xk8 h ALA 109 Cb 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xk8 h ALA 109 CO -0.15 0.62 0.18 1.25 0.00 0.00 0.00 179.25 181.15 1xk8 h LEU 110 N 0.68 0.53 -0.36 0.00 5.85 -0.22 -2.43 115.31 119.37 1xk8 h LEU 110 Ca 0.10 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1xk8 h LEU 110 Cb 0.70 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1xk8 h LEU 110 CO 0.05 0.53 0.13 0.74 -0.34 0.00 0.00 178.44 179.55 1xk8 h THR 111 N 0.50 1.20 -0.43 1.05 2.02 -0.67 -1.37 112.91 115.20 1xk8 h THR 111 Ca 0.13 -0.64 0.06 0.00 0.77 0.00 0.00 66.41 66.74 1xk8 h THR 111 Cb 0.15 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1xk8 h THR 111 CO -0.01 0.22 0.14 0.44 0.37 0.00 0.00 175.52 176.68 1xk8 h ASP 112 N 0.43 0.13 -0.31 4.18 5.19 -1.21 0.54 116.42 125.36 1xk8 h ASP 112 Ca 0.12 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1xk8 h ASP 112 Cb 0.22 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1xk8 h ASP 112 CO -0.01 0.11 0.17 0.15 -3.12 0.00 0.00 179.24 176.54 1xk8 h PHE 113 N 0.30 0.43 -0.18 4.55 3.04 -1.25 -1.28 116.94 122.54 1xk8 h PHE 113 Ca 0.20 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1xk8 h PHE 113 Cb 0.21 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 1xk8 h PHE 113 CO -0.17 0.34 0.05 0.28 -2.02 0.00 0.00 178.31 176.79 1xk8 h VAL 114 N 0.39 1.20 -0.79 1.41 2.07 -0.74 -2.26 116.25 117.52 1xk8 h VAL 114 Ca 0.11 -0.64 0.14 0.00 0.82 0.00 0.00 66.70 67.13 1xk8 h VAL 114 Cb 0.05 1.28 -0.14 0.00 -1.52 0.00 0.00 31.29 30.96 1xk8 h VAL 114 CO -0.02 0.20 -0.31 0.03 0.02 0.00 0.00 177.57 177.49 1xk8 h ARG 115 N 0.10 -0.06 -0.19 1.57 -0.00 0.23 -0.10 114.38 115.93 1xk8 h ARG 115 Ca 0.06 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.52 1xk8 h ARG 115 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.23 1xk8 h ARG 115 CO 0.00 -0.04 0.04 0.66 0.00 0.00 0.00 179.97 180.63 1xk8 h SER 116 N -0.06 0.30 -0.18 7.04 4.64 -0.66 -3.15 113.55 121.47 1xk8 h SER 116 Ca 0.32 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1xk8 h SER 116 Cb 0.58 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1xk8 h SER 116 CO -0.83 0.46 0.00 1.33 -0.87 0.00 0.00 176.83 176.92 1xk8 n VAL 117 N -4.77 0.22 -2.88 0.95 0.24 -1.00 -4.95 118.33 106.15 1xk8 n VAL 117 Ca -0.04 -0.47 -0.39 0.00 -2.04 0.00 0.00 64.34 61.40 1xk8 n VAL 117 Cb 0.17 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.23 1xk8 n VAL 117 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xk8 s HIS 118 N -1.78 3.92 0.05 6.34 2.46 -0.07 -4.99 115.29 121.22 1xk8 s HIS 118 Ca 0.34 1.75 -0.28 0.00 0.47 0.00 0.00 55.06 57.35 1xk8 s HIS 118 Cb 0.20 -2.86 -0.17 0.00 -0.13 0.00 0.00 32.58 29.62 1xk8 s HIS 118 CO 0.30 0.46 1.51 -1.35 -2.47 0.00 0.00 174.74 173.19 1xk8 h PRO 119 N 4.13 -0.48 -6.89 2.88 0.11 -1.90 -3.44 132.00 126.40 1xk8 h PRO 119 Ca -0.46 0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.12 1xk8 h PRO 119 Cb 1.20 0.11 0.14 0.00 0.11 0.00 0.00 31.00 32.57 1xk8 h PRO 119 CO 0.67 -0.25 0.39 0.66 -0.21 0.00 0.00 178.00 179.26 1xk8 n TYR 120 N -5.25 1.70 -0.04 0.65 4.01 -1.26 -4.90 117.16 112.07 1xk8 n TYR 120 Ca -0.11 0.46 -0.10 0.00 -0.16 0.00 0.00 57.90 58.00 1xk8 n TYR 120 Cb 0.25 -2.28 -0.03 0.00 -0.31 0.00 0.00 39.34 36.96 1xk8 n TYR 120 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1xk8 h GLU 121 N 1.27 0.26 -4.62 -0.72 3.07 -1.98 -3.38 114.58 108.49 1xk8 h GLU 121 Ca -0.49 -0.02 -0.69 0.00 -0.50 0.00 0.00 59.36 57.67 1xk8 h GLU 121 Cb 1.32 -0.06 -0.34 0.00 -0.84 0.00 0.00 28.75 28.83 1xk8 h GLU 121 CO 0.56 0.17 -0.62 0.08 -1.40 0.00 0.00 179.01 177.79 1xk8 s VAL 122 N -6.18 3.09 0.12 3.13 1.01 -1.26 -5.10 120.40 115.21 1xk8 s VAL 122 Ca -0.13 -1.82 -0.28 0.00 0.00 0.00 0.00 61.98 59.76 1xk8 s VAL 122 Cb 0.08 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.40 1xk8 s VAL 122 CO 0.69 -0.45 0.87 0.00 0.00 0.00 0.00 175.10 176.20 1xk8 s ALA 123 N 1.16 3.33 -0.24 5.51 0.00 -1.26 -5.02 121.76 125.25 1xk8 s ALA 123 Ca 0.03 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1xk8 s ALA 123 Cb -0.21 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1xk8 s ALA 123 CO -0.03 0.10 1.47 -2.00 0.00 0.00 0.00 175.76 175.30 1xk8 s GLU 124 N -0.42 3.88 -0.15 0.00 2.12 -1.26 -4.98 118.70 117.89 1xk8 s GLU 124 Ca 0.41 1.52 -0.03 0.00 0.36 0.00 0.00 54.97 57.23 1xk8 s GLU 124 Cb -0.23 -3.96 0.05 0.00 0.26 0.00 0.00 34.13 30.26 1xk8 s GLU 124 CO 0.27 -1.17 0.05 0.08 -0.54 0.00 0.00 175.26 173.96 1xk8 s VAL 125 N 4.73 0.19 -0.06 3.70 1.01 -1.26 -3.61 120.40 125.11 1xk8 s VAL 125 Ca 0.65 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.48 1xk8 s VAL 125 Cb -0.22 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1xk8 s VAL 125 CO 0.26 -0.11 -0.14 0.27 0.00 0.00 0.00 175.10 175.38 1xk8 s ILE 126 N 2.02 1.22 -0.16 2.22 -4.36 -0.87 -4.96 121.20 116.31 1xk8 s ILE 126 Ca 0.02 -0.55 -0.03 0.00 -0.26 0.00 0.00 60.65 59.83 1xk8 s ILE 126 Cb -0.15 -1.09 -0.02 0.00 1.25 0.00 0.00 42.46 42.45 1xk8 s ILE 126 CO -0.07 0.37 -0.06 0.00 0.24 0.00 0.00 174.94 175.42 1xk8 s ALA 127 N 0.45 2.89 -0.12 2.27 0.00 -1.26 0.38 121.76 126.36 1xk8 s ALA 127 Ca -0.11 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1xk8 s ALA 127 Cb -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 1xk8 s ALA 127 CO 0.03 0.13 -0.12 -0.51 0.00 0.00 0.00 175.76 175.29 1xk8 s LEU 128 N 0.52 2.77 0.19 0.00 1.02 -0.28 -4.94 118.68 117.96 1xk8 s LEU 128 Ca -0.04 -0.29 -0.26 0.00 0.02 0.00 0.00 54.13 53.55 1xk8 s LEU 128 Cb -0.15 -1.62 -0.08 0.00 0.02 0.00 0.00 46.19 44.36 1xk8 s LEU 128 CO 0.03 0.19 0.82 -2.16 0.02 0.00 0.00 176.35 175.25 1xk8 s PRO 129 N 0.20 4.63 -0.40 1.29 0.04 -1.26 -0.48 135.00 139.02 1xk8 s PRO 129 Ca -0.07 1.24 -0.21 0.00 0.04 0.00 0.00 61.00 61.99 1xk8 s PRO 129 Cb -0.15 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1xk8 s PRO 129 CO 0.05 0.55 0.67 0.08 0.04 0.00 0.00 177.00 178.38 1xk8 s VAL 130 N -1.18 4.83 -0.01 -0.36 1.01 -0.17 -4.87 120.40 119.64 1xk8 s VAL 130 Ca 0.38 0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 1xk8 s VAL 130 Cb -0.24 -4.16 -0.33 0.00 0.00 0.00 0.00 36.38 31.65 1xk8 s VAL 130 CO 0.27 -0.48 0.95 -0.08 0.00 0.00 0.00 175.10 175.77 1xk8 h GLU 131 N 8.68 0.41 -4.53 2.72 4.81 -1.93 0.15 114.58 124.90 1xk8 h GLU 131 Ca -0.26 -0.69 -0.22 0.00 -0.13 0.00 0.00 59.36 58.07 1xk8 h GLU 131 Cb 1.10 0.25 -0.15 0.00 0.63 0.00 0.00 28.75 30.58 1xk8 h GLU 131 CO 0.88 1.32 -0.63 -0.65 -0.73 0.00 0.00 179.01 179.20 1xk8 s GLN 132 N -2.55 1.08 0.00 1.92 -0.21 -1.26 -4.47 119.66 114.18 1xk8 s GLN 132 Ca -0.12 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 53.72 1xk8 s GLN 132 Cb 0.02 0.24 0.00 0.00 1.00 0.00 0.00 33.01 34.28 1xk8 s GLN 132 CO 0.88 -0.33 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 1xk8 n GLY 133 N -0.19 -1.08 3.59 3.09 0.00 -1.26 -5.09 105.19 104.24 1xk8 n GLY 133 Ca -0.01 -0.96 -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 6.30 0.16 1.61 2.47 -1.26 -4.93 114.94 115.28 1xk8 s ASN 134 Ca 0.00 0.48 -0.17 0.00 0.42 0.00 0.00 52.86 53.60 1xk8 s ASN 134 Cb 0.00 -2.54 0.09 0.00 -1.45 0.00 0.00 41.25 37.34 1xk8 s ASN 134 CO 0.00 -1.53 1.69 0.15 -3.72 0.00 0.00 177.10 173.69 1xk8 h PHE 135 N 10.57 -0.07 -0.66 0.43 3.04 -1.98 0.21 116.94 128.48 1xk8 h PHE 135 Ca -0.26 0.03 0.14 0.00 3.98 0.00 0.00 57.97 61.86 1xk8 h PHE 135 Cb 1.09 0.09 -0.11 0.00 2.56 0.00 0.00 35.95 39.58 1xk8 h PHE 135 CO 1.00 -0.10 0.05 -1.35 -2.02 0.00 0.00 178.31 175.90 1xk8 h PRO 136 N 0.07 0.16 -0.39 6.41 0.11 -1.98 0.40 132.00 136.78 1xk8 h PRO 136 Ca 0.18 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1xk8 h PRO 136 Cb 0.26 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1xk8 h PRO 136 CO -0.33 0.10 0.05 -0.92 -0.21 0.00 0.00 178.00 176.70 1xk8 h TYR 137 N 0.16 0.69 -0.87 0.65 5.03 -1.57 0.14 116.97 121.20 1xk8 h TYR 137 Ca 0.35 -0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.55 1xk8 h TYR 137 Cb 0.58 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.63 1xk8 h TYR 137 CO -0.34 0.70 0.48 -0.07 -1.32 0.00 0.00 178.16 177.61 1xk8 h LEU 138 N 0.49 1.08 -0.77 2.82 3.38 -0.36 -0.87 115.31 121.08 1xk8 h LEU 138 Ca 0.12 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1xk8 h LEU 138 Cb 0.38 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1xk8 h LEU 138 CO 0.01 0.87 0.21 1.56 0.09 0.00 0.00 178.44 181.18 1xk8 h GLN 139 N 1.22 1.13 -0.67 1.13 4.20 0.06 -2.90 115.11 119.28 1xk8 h GLN 139 Ca 0.31 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1xk8 h GLN 139 Cb 0.02 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1xk8 h GLN 139 CO -0.05 0.97 0.37 2.35 -0.67 0.00 0.00 178.83 181.80 1xk8 h TRP 140 N 1.08 0.93 -0.85 2.96 7.01 0.04 0.66 115.95 127.78 1xk8 h TRP 140 Ca 0.23 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.23 1xk8 h TRP 140 Cb 0.33 -0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.04 1xk8 h TRP 140 CO 0.03 0.66 0.56 0.28 -2.79 0.00 0.00 178.44 177.18 1xk8 h VAL 141 N 0.92 1.18 -0.02 2.65 2.07 -1.06 -1.43 116.25 120.56 1xk8 h VAL 141 Ca 0.24 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1xk8 h VAL 141 Cb 0.04 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1xk8 h VAL 141 CO -0.04 0.20 -0.02 -0.09 0.02 0.00 0.00 177.57 177.65 1xk8 h ARG 142 N 1.10 0.05 -0.41 1.57 2.43 -1.29 -3.20 114.38 114.63 1xk8 h ARG 142 Ca 0.32 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.55 1xk8 h ARG 142 Cb -0.05 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.42 1xk8 h ARG 142 CO -0.08 0.50 -0.08 0.37 -1.51 0.00 0.00 179.97 179.17 1xk8 h GLN 143 N -0.41 0.02 -0.00 0.20 -0.00 -0.37 -2.03 115.11 112.52 1xk8 h GLN 143 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xk8 h GLN 143 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.97 1xk8 h GLN 143 CO 0.00 0.01 0.00 1.33 0.00 0.00 0.00 178.83 180.18 1xk8 n VAL 144 N -5.29 0.00 0.03 2.39 0.24 -0.58 -3.40 118.33 111.72 1xk8 n VAL 144 Ca 0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1xk8 n VAL 144 Cb 0.22 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 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 -0.91 0.00 -1.54 3.34 -2.24 -0.82 -4.86 114.28 107.25 1xk8 n THR 145 Ca 0.22 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 1xk8 n THR 145 Cb 0.12 1.01 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 1xk8 n THR 145 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xk8 s GLU 146 N -0.11 2.44 0.00 -0.78 2.02 -0.86 -4.90 118.70 116.51 1xk8 s GLU 146 Ca 0.01 1.47 0.00 0.00 0.02 0.00 0.00 54.97 56.47 1xk8 s GLU 146 Cb 0.01 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1xk8 s GLU 146 CO 0.01 -1.54 0.47 -1.13 0.02 0.00 0.00 175.26 173.09