#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqe s SER 73 N 0.00 5.29 -0.13 1.61 0.01 -1.26 -5.07 113.70 114.15 2yqe s SER 73 Ca 0.00 -2.56 -0.06 0.00 1.31 0.00 0.00 55.95 54.64 2yqe s SER 73 Cb 0.00 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 2yqe s SER 73 CO 0.00 -0.44 0.09 -0.55 0.41 0.00 0.00 173.24 172.75 2yqe s SER 74 N 1.16 5.92 0.13 2.44 0.15 -1.26 -5.08 113.70 117.16 2yqe s SER 74 Ca 0.14 0.28 -0.06 0.00 0.70 0.00 0.00 55.95 57.00 2yqe s SER 74 Cb -0.21 -1.90 0.02 0.00 -1.71 0.00 0.00 66.02 62.22 2yqe s SER 74 CO -0.04 0.33 0.32 0.61 1.20 0.00 0.00 173.24 175.67 2yqe n GLY 75 N 2.51 1.48 3.82 9.45 0.00 -1.26 -5.19 105.19 116.00 2yqe n GLY 75 Ca -0.18 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.69 2yqe n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yqe s SER 76 N -1.83 -0.10 -0.49 1.61 0.15 -1.26 -5.04 113.70 106.74 2yqe s SER 76 Ca 0.07 -0.76 -0.02 0.00 0.70 0.00 0.00 55.95 55.95 2yqe s SER 76 Cb -0.02 0.67 0.32 0.00 -1.71 0.00 0.00 66.02 65.28 2yqe s SER 76 CO 0.04 -1.29 2.05 -1.54 1.20 0.00 0.00 173.24 173.70 2yqe n SER 77 N -0.93 7.06 0.04 5.45 3.41 -1.26 -4.30 113.62 123.09 2yqe n SER 77 Ca -0.06 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 55.14 2yqe n SER 77 Cb 0.60 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2yqe n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yqe n GLY 78 N -0.22 -0.08 3.39 5.00 0.00 -1.26 -5.03 105.19 107.00 2yqe n GLY 78 Ca 0.46 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.98 2yqe n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yqe n THR 79 N -3.02 0.03 0.01 2.61 -1.04 -1.26 -4.69 114.28 106.91 2yqe n THR 79 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2yqe n THR 79 Cb 0.14 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 2yqe n THR 79 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2yqe n ARG 80 N 8.08 0.00 -0.03 -2.82 3.00 -1.26 -4.89 116.66 118.73 2yqe n ARG 80 Ca 0.55 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 58.24 2yqe n ARG 80 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 32.46 32.47 2yqe n ARG 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2yqe h VAL 81 N 0.00 1.29 -1.84 5.15 2.07 -2.02 -3.18 116.25 117.72 2yqe h VAL 81 Ca 0.00 -1.90 0.54 0.00 0.82 0.00 0.00 66.70 66.16 2yqe h VAL 81 Cb 0.00 1.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 2yqe h VAL 81 CO 0.00 0.60 1.31 0.29 0.02 0.00 0.00 177.57 179.79 2yqe n LYS 82 N -3.95 -0.00 -0.03 1.57 4.01 -1.26 0.16 118.16 118.66 2yqe n LYS 82 Ca -0.06 1.06 -0.15 0.00 -0.51 0.00 0.00 58.31 58.65 2yqe n LYS 82 Cb 0.70 -2.39 -0.10 0.00 -0.51 0.00 0.00 35.03 32.72 2yqe n LYS 82 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2yqe h LEU 83 N 0.00 0.32 -0.99 -0.35 3.38 -1.90 -3.24 115.31 112.53 2yqe h LEU 83 Ca 0.90 -0.69 0.14 0.00 0.09 0.00 0.00 57.88 58.32 2yqe h LEU 83 Cb 3.53 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 44.03 2yqe h LEU 83 CO -0.06 0.96 -0.43 -1.13 0.09 0.00 0.00 178.44 177.86 2yqe h ASN 84 N -0.30 -1.59 -0.41 -0.43 -0.73 0.15 0.39 115.58 112.66 2yqe h ASN 84 Ca -0.02 0.31 0.06 0.00 1.87 0.00 0.00 56.30 58.52 2yqe h ASN 84 Cb 0.97 0.80 -0.05 0.00 0.27 0.00 0.00 38.32 40.30 2yqe h ASN 84 CO 0.06 -0.28 0.10 0.22 -0.37 0.00 0.00 177.43 177.16 2yqe h TYR 85 N -0.01 0.17 0.40 0.67 3.20 -1.64 -1.28 116.97 118.48 2yqe h TYR 85 Ca 0.30 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 2yqe h TYR 85 Cb 0.56 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2yqe h TYR 85 CO -0.90 0.03 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.26 2yqe h LEU 86 N 0.24 -0.85 -1.16 2.82 3.38 -0.36 -1.32 115.31 118.06 2yqe h LEU 86 Ca 0.20 0.06 0.30 0.00 0.09 0.00 0.00 57.88 58.53 2yqe h LEU 86 Cb 0.23 0.27 -0.13 0.00 0.09 0.00 0.00 40.66 41.12 2yqe h LEU 86 CO -0.25 -0.45 0.64 0.44 0.09 0.00 0.00 178.44 178.92 2yqe h ASP 87 N -0.70 0.50 0.74 -0.43 5.19 -0.80 0.43 116.42 121.36 2yqe h ASP 87 Ca -0.05 0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 2yqe h ASP 87 Cb 0.58 0.08 0.01 0.00 0.18 0.00 0.00 39.33 40.18 2yqe h ASP 87 CO 0.00 -0.02 -0.36 1.56 -3.12 0.00 0.00 179.24 177.30 2yqe h GLN 88 N 0.37 -0.96 0.00 3.56 1.08 -0.71 0.27 115.11 118.72 2yqe h GLN 88 Ca 0.69 0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.94 2yqe h GLN 88 Cb 1.65 0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 29.29 2yqe h GLN 88 CO -0.46 -0.64 -0.04 0.97 -0.95 0.00 0.00 178.83 177.71 2yqe h ILE 89 N -1.05 0.78 -0.06 2.54 2.10 -0.20 -2.53 117.51 119.09 2yqe h ILE 89 Ca -0.10 -0.16 -0.07 0.00 1.08 0.00 0.00 64.86 65.61 2yqe h ILE 89 Cb 0.76 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 2yqe h ILE 89 CO 0.17 0.04 -0.25 0.00 -1.08 0.00 0.00 178.15 177.03 2yqe h ALA 90 N 1.96 0.11 -0.14 0.18 0.00 0.01 -2.67 119.26 118.70 2yqe h ALA 90 Ca -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2yqe h ALA 90 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2yqe h ALA 90 CO 0.01 0.11 0.30 -0.22 0.00 0.00 0.00 179.25 179.45 2yqe h LYS 91 N -0.25 0.00 0.02 0.00 3.64 -0.02 0.77 116.57 120.72 2yqe h LYS 91 Ca -0.02 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 2yqe h LYS 91 Cb 0.90 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2yqe h LYS 91 CO 0.05 0.00 -0.77 0.35 -2.27 0.00 0.00 179.45 176.81 2yqe h PHE 92 N 0.00 0.07 0.58 1.91 3.57 -1.46 -3.34 116.94 118.27 2yqe h PHE 92 Ca 0.07 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2yqe h PHE 92 Cb 0.68 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.42 2yqe h PHE 92 CO 0.00 1.30 -0.28 -1.49 -2.23 0.00 0.00 178.31 175.61 2yqe h TRP 93 N -0.90 -0.73 -1.43 0.41 4.06 -0.95 -2.63 115.95 113.80 2yqe h TRP 93 Ca -0.20 -0.02 0.47 0.00 2.06 0.00 0.00 58.89 61.21 2yqe h TRP 93 Cb 1.25 0.24 -0.13 0.00 -1.00 0.00 0.00 29.16 29.52 2yqe h TRP 93 CO 0.18 -0.41 0.93 1.05 -3.56 0.00 0.00 178.44 176.63 2yqe h GLU 94 N -0.91 0.03 0.05 0.49 4.11 -0.94 0.46 114.58 117.87 2yqe h GLU 94 Ca -0.08 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 2yqe h GLU 94 Cb 0.64 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2yqe h GLU 94 CO 0.13 0.02 -0.02 0.82 0.07 0.00 0.00 179.01 180.03 2yqe h ILE 95 N 0.03 1.29 -1.01 -1.06 2.04 -1.61 -3.22 117.51 113.97 2yqe h ILE 95 Ca 0.86 -1.31 0.25 0.00 1.00 0.00 0.00 64.86 65.67 2yqe h ILE 95 Cb 2.84 2.13 -0.12 0.00 -0.74 0.00 0.00 36.82 40.93 2yqe h ILE 95 CO -0.40 0.32 0.61 1.56 0.00 0.00 0.00 178.15 180.24 2yqe h GLN 96 N -0.67 0.54 0.00 2.37 1.08 0.24 -3.46 115.11 115.21 2yqe h GLN 96 Ca -0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2yqe h GLN 96 Cb 0.58 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2yqe h GLN 96 CO 0.01 0.35 0.00 0.41 -0.95 0.00 0.00 178.83 178.66 2yqe n GLY 97 N -1.33 4.13 3.86 3.46 0.00 -0.80 -5.12 105.19 109.39 2yqe n GLY 97 Ca 0.27 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2yqe n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yqe s SER 98 N 0.00 6.69 0.83 1.61 0.15 -1.26 -4.90 113.70 116.82 2yqe s SER 98 Ca 0.00 1.27 -0.12 0.00 0.70 0.00 0.00 55.95 57.80 2yqe s SER 98 Cb 0.00 -2.37 0.11 0.00 -1.71 0.00 0.00 66.02 62.05 2yqe s SER 98 CO 0.00 -0.31 1.19 -0.94 1.20 0.00 0.00 173.24 174.38 2yqe s SER 99 N -2.62 4.16 -0.32 5.45 1.04 -1.26 -3.60 113.70 116.56 2yqe s SER 99 Ca 0.54 0.55 -0.15 0.00 0.48 0.00 0.00 55.95 57.37 2yqe s SER 99 Cb -0.10 -0.94 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 2yqe s SER 99 CO 0.23 -2.09 0.35 -0.22 0.98 0.00 0.00 173.24 172.49 2yqe s LEU 100 N -5.60 4.29 0.03 2.42 2.96 -1.26 -4.92 118.68 116.60 2yqe s LEU 100 Ca 0.65 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 2yqe s LEU 100 Cb -0.09 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 2yqe s LEU 100 CO 0.49 -0.27 0.04 -1.59 -1.32 0.00 0.00 176.35 173.69 2yqe s LYS 101 N 2.02 2.82 -0.17 1.98 -2.85 -1.26 -5.11 119.74 117.17 2yqe s LYS 101 Ca 0.12 -0.64 0.01 0.00 -1.00 0.00 0.00 55.97 54.46 2yqe s LYS 101 Cb -0.16 -2.70 0.02 0.00 -2.06 0.00 0.00 37.83 32.92 2yqe s LYS 101 CO 0.11 0.60 -0.20 0.42 0.10 0.00 0.00 175.35 176.38 2yqe s ILE 102 N -1.22 2.09 0.86 3.79 -1.09 -1.26 -5.11 121.20 119.27 2yqe s ILE 102 Ca 0.24 -0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 57.60 2yqe s ILE 102 Cb -0.12 -1.86 0.11 0.00 -1.58 0.00 0.00 42.46 39.01 2yqe s ILE 102 CO 0.15 0.54 1.09 -2.16 -1.23 0.00 0.00 174.94 173.33 2yqe s PRO 103 N 1.12 1.53 -0.18 2.79 0.04 -1.26 -4.92 135.00 134.12 2yqe s PRO 103 Ca 0.01 0.92 -0.05 0.00 0.04 0.00 0.00 61.00 61.92 2yqe s PRO 103 Cb -0.14 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2yqe s PRO 103 CO -0.09 -2.08 -0.01 -0.80 0.04 0.00 0.00 177.00 174.07 2yqe s ASN 104 N -3.41 4.96 -0.03 6.66 -0.87 -1.26 -3.42 114.94 117.56 2yqe s ASN 104 Ca 0.63 -0.12 0.02 0.00 -1.57 0.00 0.00 52.86 51.83 2yqe s ASN 104 Cb -0.18 -1.83 0.00 0.00 -0.02 0.00 0.00 41.25 39.23 2yqe s ASN 104 CO 0.57 0.13 -0.09 -0.69 -2.57 0.00 0.00 177.10 174.46 2yqe s VAL 105 N 0.58 0.76 -1.19 1.60 1.01 -0.25 -4.84 120.40 118.06 2yqe s VAL 105 Ca -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2yqe s VAL 105 Cb -0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 2yqe s VAL 105 CO 0.02 0.24 0.83 -0.62 0.00 0.00 0.00 175.10 175.58 2yqe n GLU 106 N 3.35 -3.95 -4.27 2.72 -0.58 -1.26 -1.77 120.64 114.88 2yqe n GLU 106 Ca -0.19 0.70 -0.37 0.00 -0.42 0.00 0.00 57.16 56.88 2yqe n GLU 106 Cb 0.54 -5.31 -0.06 0.00 -0.57 0.00 0.00 31.44 26.03 2yqe n GLU 106 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2yqe n ARG 107 N -3.96 -1.28 -3.51 3.49 1.85 -1.26 -4.86 116.66 107.13 2yqe n ARG 107 Ca -0.20 0.16 -0.14 0.00 -1.00 0.00 0.00 57.85 56.66 2yqe n ARG 107 Cb 0.65 -4.75 -0.05 0.00 -1.05 0.00 0.00 32.46 27.26 2yqe n ARG 107 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2yqe s LYS 108 N -6.95 0.97 0.69 2.89 2.20 -0.73 -5.16 119.74 113.66 2yqe s LYS 108 Ca 0.73 0.05 -0.17 0.00 -0.36 0.00 0.00 55.97 56.23 2yqe s LYS 108 Cb -0.42 0.46 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 2yqe s LYS 108 CO 0.90 -0.34 1.09 1.51 -0.36 0.00 0.00 175.35 178.15 2yqe n ILE 109 N 0.53 3.54 -3.45 5.43 3.06 -1.26 -1.09 119.36 126.12 2yqe n ILE 109 Ca -0.16 -0.41 -0.37 0.00 -2.50 0.00 0.00 62.75 59.31 2yqe n ILE 109 Cb 0.59 -1.24 -0.07 0.00 0.54 0.00 0.00 39.64 39.46 2yqe n ILE 109 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2yqe s LEU 110 N -3.62 4.19 -1.34 9.51 0.20 -1.22 -4.71 118.68 121.69 2yqe s LEU 110 Ca 0.77 0.51 -0.11 0.00 0.69 0.00 0.00 54.13 55.99 2yqe s LEU 110 Cb -0.36 -2.46 0.13 0.00 -0.43 0.00 0.00 46.19 43.07 2yqe s LEU 110 CO 0.47 -0.00 1.99 -0.67 -0.29 0.00 0.00 176.35 177.84 2yqe n ASP 111 N 4.09 4.72 0.16 3.68 -0.08 -1.26 -4.76 116.55 123.10 2yqe n ASP 111 Ca -0.10 -3.03 0.16 0.00 -1.51 0.00 0.00 54.79 50.31 2yqe n ASP 111 Cb 0.51 -1.53 0.56 0.00 2.34 0.00 0.00 41.12 43.00 2yqe n ASP 111 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2yqe h LEU 112 N 8.49 0.00 -0.27 -2.67 -0.00 -1.99 0.38 115.31 119.25 2yqe h LEU 112 Ca 0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 58.25 2yqe h LEU 112 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 2yqe h LEU 112 CO 1.71 0.00 -0.14 0.22 -0.00 0.00 0.00 178.44 180.23 2yqe h TYR 113 N 0.00 0.66 0.05 0.17 3.20 -1.91 -2.64 116.97 116.50 2yqe h TYR 113 Ca 0.15 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2yqe h TYR 113 Cb 1.49 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.60 2yqe h TYR 113 CO 0.00 0.83 -0.02 1.03 -1.64 0.00 0.00 178.16 178.35 2yqe h SER 114 N 0.31 -0.06 -0.47 -2.11 0.87 -0.66 -2.18 113.55 109.25 2yqe h SER 114 Ca 0.06 -0.50 0.09 0.00 -1.23 0.00 0.00 61.79 60.21 2yqe h SER 114 Cb 0.66 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.53 2yqe h SER 114 CO 0.04 0.49 -0.35 0.25 -0.53 0.00 0.00 176.83 176.73 2yqe h LEU 115 N -0.63 -1.19 0.88 2.23 5.85 -1.52 0.17 115.31 121.10 2yqe h LEU 115 Ca -0.01 0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 2yqe h LEU 115 Cb 0.55 0.56 0.01 0.00 0.37 0.00 0.00 40.66 42.15 2yqe h LEU 115 CO 0.01 -0.33 -0.42 -1.28 -0.34 0.00 0.00 178.44 176.08 2yqe h SER 116 N -0.24 -1.00 -0.71 1.25 0.87 -1.55 -2.26 113.55 109.92 2yqe h SER 116 Ca 0.18 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.89 2yqe h SER 116 Cb 0.55 0.26 -0.13 0.00 -0.44 0.00 0.00 62.40 62.65 2yqe h SER 116 CO -0.60 -0.70 -0.38 0.11 -0.53 0.00 0.00 176.83 174.74 2yqe h LYS 117 N -1.21 -0.12 0.04 2.24 1.79 -0.95 -1.44 116.57 116.93 2yqe h LYS 117 Ca -0.12 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2yqe h LYS 117 Cb 0.91 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 2yqe h LYS 117 CO 0.20 -0.08 -0.13 0.82 -1.08 0.00 0.00 179.45 179.17 2yqe h ILE 118 N -0.13 0.00 -0.89 1.86 2.04 -0.62 0.13 117.51 119.91 2yqe h ILE 118 Ca 0.25 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.32 2yqe h ILE 118 Cb 0.56 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.48 2yqe h ILE 118 CO -0.77 0.00 -0.11 0.52 0.00 0.00 0.00 178.15 177.79 2yqe n VAL 119 N -3.20 -0.37 -0.24 1.67 0.31 -0.86 0.18 118.33 115.83 2yqe n VAL 119 Ca -0.02 1.99 -0.07 0.00 -0.01 0.00 0.00 64.34 66.23 2yqe n VAL 119 Cb 0.11 -2.83 0.05 0.00 -0.91 0.00 0.00 33.84 30.26 2yqe n VAL 119 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2yqe h ILE 120 N 0.00 1.26 0.04 2.52 2.04 -0.75 -2.03 117.51 120.60 2yqe h ILE 120 Ca 0.48 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2yqe h ILE 120 Cb 0.86 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 2yqe h ILE 120 CO -0.88 0.38 -0.05 -0.33 0.00 0.00 0.00 178.15 177.27 2yqe h GLU 121 N 1.04 -0.11 -0.85 2.37 4.39 0.46 -2.52 114.58 119.36 2yqe h GLU 121 Ca 0.21 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.07 2yqe h GLU 121 Cb 0.42 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.00 2yqe h GLU 121 CO 0.01 -0.08 0.43 0.93 -1.16 0.00 0.00 179.01 179.14 2yqe h GLU 122 N -0.12 0.58 0.00 2.33 5.08 -1.03 -3.43 114.58 117.99 2yqe h GLU 122 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2yqe h GLU 122 Cb 0.12 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2yqe h GLU 122 CO -0.03 0.39 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 2yqe n GLY 123 N -1.33 0.00 1.02 -3.84 0.00 -0.98 -4.94 105.19 95.13 2yqe n GLY 123 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2yqe n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yqe n GLY 124 N 0.00 -2.81 0.14 -0.02 0.00 -0.78 -3.98 105.19 97.73 2yqe n GLY 124 Ca 0.00 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 2yqe n GLY 124 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2yqe h TYR 125 N 0.00 0.50 -0.47 1.61 5.03 -1.93 -3.26 116.97 118.45 2yqe h TYR 125 Ca 0.00 -0.37 -0.09 0.00 2.58 0.00 0.00 58.73 60.86 2yqe h TYR 125 Cb 0.00 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 2yqe h TYR 125 CO 0.00 1.73 -0.07 0.93 -1.32 0.00 0.00 178.16 179.43 2yqe h GLU 126 N -0.03 0.82 0.71 1.82 4.39 -1.96 -0.54 114.58 119.80 2yqe h GLU 126 Ca -0.39 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.01 2yqe h GLU 126 Cb 1.98 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 30.56 2yqe h GLU 126 CO 0.09 0.87 -0.34 0.00 -1.16 0.00 0.00 179.01 178.46 2yqe h ALA 127 N 1.17 -1.08 -0.62 3.43 0.00 -1.73 -0.83 119.26 119.60 2yqe h ALA 127 Ca 0.13 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2yqe h ALA 127 Cb 0.55 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2yqe h ALA 127 CO 0.03 -1.01 0.41 -0.84 0.00 0.00 0.00 179.25 177.84 2yqe h ILE 128 N -1.10 1.05 -0.55 0.00 -0.00 -1.60 -1.43 117.51 113.88 2yqe h ILE 128 Ca -0.10 -0.23 -0.07 0.00 -0.00 0.00 0.00 64.86 64.45 2yqe h ILE 128 Cb 0.73 0.31 -0.02 0.00 -0.00 0.00 0.00 36.82 37.84 2yqe h ILE 128 CO 0.16 0.12 0.05 0.00 -0.00 0.00 0.00 178.15 178.48 2yqe h LYS 130 N 0.85 0.95 -0.78 0.00 3.64 -0.10 -2.78 116.57 118.35 2yqe h LYS 130 Ca 0.17 -0.42 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 2yqe h LYS 130 Cb 0.44 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 2yqe h LYS 130 CO 0.02 1.08 0.09 -0.25 -2.27 0.00 0.00 179.45 178.12 2yqe n ASP 131 N -4.10 4.06 -3.78 4.20 9.92 -0.82 -4.91 116.55 121.14 2yqe n ASP 131 Ca -0.00 -2.72 -0.25 0.00 -0.53 0.00 0.00 54.79 51.28 2yqe n ASP 131 Cb 0.47 -0.65 -0.07 0.00 -0.64 0.00 0.00 41.12 40.24 2yqe n ASP 131 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2yqe n ARG 132 N 0.21 -0.90 -0.31 -1.24 1.74 -0.55 -4.73 116.66 110.88 2yqe n ARG 132 Ca 0.23 0.08 0.03 0.00 -0.77 0.00 0.00 57.85 57.42 2yqe n ARG 132 Cb 0.97 -2.85 0.15 0.00 -1.02 0.00 0.00 32.46 29.71 2yqe n ARG 132 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2yqe n ARG 133 N -3.42 2.34 -0.05 5.56 1.74 0.55 -4.22 116.66 119.17 2yqe n ARG 133 Ca -0.13 -1.14 -0.11 0.00 -0.77 0.00 0.00 57.85 55.69 2yqe n ARG 133 Cb 0.45 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 30.12 2yqe n ARG 133 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2yqe h TRP 134 N 1.49 0.29 -0.91 -1.55 -0.00 -1.85 -1.95 115.95 111.48 2yqe h TRP 134 Ca 0.00 -0.03 0.17 0.00 -0.00 0.00 0.00 58.89 59.03 2yqe h TRP 134 Cb 0.96 -0.08 -0.10 0.00 -0.00 0.00 0.00 29.16 29.94 2yqe h TRP 134 CO 0.38 0.37 0.49 0.00 -0.00 0.00 0.00 178.44 179.68 2yqe h ALA 135 N 0.88 1.42 0.41 1.49 0.00 -1.95 -1.42 119.26 120.10 2yqe h ALA 135 Ca 0.06 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2yqe h ALA 135 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2yqe h ALA 135 CO -0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 2yqe h ARG 136 N 0.66 -0.54 -1.17 0.00 2.47 -1.81 -2.40 114.38 111.59 2yqe h ARG 136 Ca 0.51 0.04 0.42 0.00 -1.26 0.00 0.00 59.98 59.69 2yqe h ARG 136 Cb 0.77 0.12 -0.15 0.00 -1.65 0.00 0.00 29.97 29.05 2yqe h ARG 136 CO -0.38 -0.36 0.70 0.28 0.56 0.00 0.00 179.97 180.77 2yqe h VAL 137 N -0.84 0.07 0.24 2.04 2.07 -1.11 0.28 116.25 119.00 2yqe h VAL 137 Ca -0.06 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2yqe h VAL 137 Cb 0.43 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2yqe h VAL 137 CO 0.09 0.01 -0.12 0.00 0.02 0.00 0.00 177.57 177.58 2yqe h ALA 138 N 1.79 -0.32 -0.92 1.67 0.00 -1.25 -3.09 119.26 117.14 2yqe h ALA 138 Ca 0.84 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.79 2yqe h ALA 138 Cb 2.39 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 20.24 2yqe h ALA 138 CO -0.59 -0.48 0.63 0.37 0.00 0.00 0.00 179.25 179.17 2yqe h GLN 139 N -0.72 0.26 -0.89 0.00 4.15 0.05 0.14 115.11 118.10 2yqe h GLN 139 Ca -0.03 -0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.55 2yqe h GLN 139 Cb 0.49 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.05 2yqe h GLN 139 CO 0.05 0.17 0.58 0.00 -1.93 0.00 0.00 178.83 177.70 2yqe h ARG 140 N 0.26 0.48 -0.93 1.69 2.47 -1.17 0.41 114.38 117.59 2yqe h ARG 140 Ca 0.47 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 59.12 2yqe h ARG 140 Cb 1.41 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.60 2yqe h ARG 140 CO -0.13 0.32 0.05 -0.11 0.56 0.00 0.00 179.97 180.66 2yqe n LEU 141 N -4.54 2.71 -1.92 3.04 7.94 0.50 -4.81 117.00 119.94 2yqe n LEU 141 Ca 0.18 -1.38 -0.18 0.00 -1.11 0.00 0.00 56.01 53.52 2yqe n LEU 141 Cb 0.62 -0.56 -0.02 0.00 0.53 0.00 0.00 43.42 43.99 2yqe n LEU 141 CO 0.30 0.44 -0.22 1.41 -1.11 0.00 0.00 177.39 178.21 2yqe n HIS 142 N 0.14 -0.68 -2.59 1.96 8.25 0.14 -4.97 115.22 117.48 2yqe n HIS 142 Ca 0.09 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.20 2yqe n HIS 142 Cb 0.58 -3.46 -0.04 0.00 1.12 0.00 0.00 29.99 28.18 2yqe n HIS 142 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2yqe s TYR 143 N -2.85 3.20 -0.20 4.41 2.02 -1.19 -4.98 117.35 117.75 2yqe s TYR 143 Ca 0.00 1.62 -0.29 0.00 -0.37 0.00 0.00 57.07 58.03 2yqe s TYR 143 Cb 0.00 -3.07 -0.03 0.00 -0.40 0.00 0.00 41.96 38.47 2yqe s TYR 143 CO 0.00 -0.60 1.60 -1.25 -1.57 0.00 0.00 175.55 173.73 2yqe s PRO 144 N -2.81 3.86 -0.93 -1.71 0.04 -1.26 -4.57 135.00 127.62 2yqe s PRO 144 Ca 0.61 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 2yqe s PRO 144 Cb -0.18 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.29 2yqe s PRO 144 CO 0.23 -1.22 1.94 -1.25 0.04 0.00 0.00 177.00 176.75 2yqe s PRO 145 N 4.54 2.55 0.00 0.56 0.04 -1.26 -4.09 135.00 137.35 2yqe s PRO 145 Ca 0.71 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2yqe s PRO 145 Cb -0.26 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.21 2yqe s PRO 145 CO 0.28 -3.43 0.00 0.41 0.04 0.00 0.00 177.00 174.31 2yqe n GLY 146 N 6.77 -2.43 3.14 0.56 0.00 -1.26 -5.15 105.19 106.81 2yqe n GLY 146 Ca 0.41 0.78 -0.35 0.00 0.00 0.00 0.00 46.02 46.85 2yqe n GLY 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yqe n LYS 147 N 0.00 -0.49 -2.42 1.61 5.02 -1.26 -4.72 118.16 115.90 2yqe n LYS 147 Ca 0.00 -0.13 -0.38 0.00 -2.02 0.00 0.00 58.31 55.78 2yqe n LYS 147 Cb 0.00 -1.33 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 2yqe n LYS 147 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2yqe s ASN 148 N -1.40 6.25 -0.17 4.39 4.22 -1.26 -4.67 114.94 122.31 2yqe s ASN 148 Ca 0.46 -2.13 -0.13 0.00 -2.14 0.00 0.00 52.86 48.92 2yqe s ASN 148 Cb -0.07 -2.58 -0.07 0.00 1.28 0.00 0.00 41.25 39.80 2yqe s ASN 148 CO 0.70 -1.78 -0.12 -0.38 -2.04 0.00 0.00 177.10 173.48 2yqe n ILE 149 N 6.87 1.46 -0.29 0.54 5.41 -1.26 -3.86 119.36 128.22 2yqe n ILE 149 Ca 0.47 0.13 0.05 0.00 1.00 0.00 0.00 62.75 64.40 2yqe n ILE 149 Cb 0.46 -2.29 0.11 0.00 -0.71 0.00 0.00 39.64 37.21 2yqe n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2yqe n GLY 150 N 1.54 -1.37 0.29 7.39 0.00 -1.26 -0.06 105.19 111.72 2yqe n GLY 150 Ca -0.15 0.87 -0.16 0.00 0.00 0.00 0.00 46.02 46.57 2yqe n GLY 150 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yqe h SER 151 N 0.00 -0.57 -0.58 1.61 0.87 -1.96 -2.17 113.55 110.75 2yqe h SER 151 Ca 0.39 -0.01 0.11 0.00 -1.23 0.00 0.00 61.79 61.05 2yqe h SER 151 Cb 0.59 0.15 -0.11 0.00 -0.44 0.00 0.00 62.40 62.58 2yqe h SER 151 CO -0.83 -0.36 -0.24 0.25 -0.53 0.00 0.00 176.83 175.11 2yqe h LEU 152 N -0.73 -0.85 0.19 2.23 6.46 -0.58 -1.41 115.31 120.62 2yqe h LEU 152 Ca -0.07 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2yqe h LEU 152 Cb 0.54 0.47 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 2yqe h LEU 152 CO 0.11 -0.26 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.39 2yqe h LEU 153 N -0.10 -0.58 -0.94 2.25 3.38 -1.04 -1.54 115.31 116.75 2yqe h LEU 153 Ca 0.26 0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.51 2yqe h LEU 153 Cb 0.51 0.20 -0.18 0.00 0.09 0.00 0.00 40.66 41.28 2yqe h LEU 153 CO -0.65 -0.27 -0.07 -1.14 0.09 0.00 0.00 178.44 176.41 2yqe n ARG 154 N -3.61 -0.08 0.17 1.13 0.63 -0.83 -1.08 116.66 113.00 2yqe n ARG 154 Ca -0.05 1.42 -0.08 0.00 -0.92 0.00 0.00 57.85 58.23 2yqe n ARG 154 Cb 0.19 -2.22 -0.04 0.00 0.45 0.00 0.00 32.46 30.84 2yqe n ARG 154 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2yqe h SER 155 N 0.00 -0.49 -1.00 6.15 0.87 -0.89 -0.87 113.55 117.32 2yqe h SER 155 Ca 0.53 0.03 0.36 0.00 -1.23 0.00 0.00 61.79 61.48 2yqe h SER 155 Cb 1.01 0.14 -0.16 0.00 -0.44 0.00 0.00 62.40 62.95 2yqe h SER 155 CO -0.91 -0.30 0.56 0.45 -0.53 0.00 0.00 176.83 176.10 2yqe h HIS 156 N -0.48 0.89 0.42 2.24 3.86 -0.11 0.86 115.15 122.84 2yqe h HIS 156 Ca -0.04 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 2yqe h HIS 156 Cb 0.38 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2yqe h HIS 156 CO 0.02 -0.29 -0.20 -0.92 0.86 0.00 0.00 177.93 177.40 2yqe h TYR 157 N 0.20 -0.52 0.00 2.45 5.03 -0.77 0.17 116.97 123.52 2yqe h TYR 157 Ca 0.78 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 62.08 2yqe h TYR 157 Cb 1.91 0.17 0.00 0.00 1.55 0.00 0.00 36.73 40.36 2yqe h TYR 157 CO -0.01 -0.23 0.00 0.39 -1.32 0.00 0.00 178.16 176.99 2yqe n GLU 158 N -5.26 0.00 -0.08 1.82 1.02 0.37 0.12 120.64 118.64 2yqe n GLU 158 Ca -0.11 0.19 -0.21 0.00 -0.02 0.00 0.00 57.16 57.01 2yqe n GLU 158 Cb 0.28 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.08 2yqe n GLU 158 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2yqe h ARG 159 N 0.00 0.06 0.00 3.49 2.43 0.97 -3.37 114.38 117.96 2yqe h ARG 159 Ca 0.00 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 2yqe h ARG 159 Cb 0.30 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2yqe h ARG 159 CO 0.00 1.05 -1.56 -0.89 -1.51 0.00 0.00 179.97 177.05 2yqe n ILE 160 N -4.28 0.56 1.70 1.20 5.41 0.55 -4.55 119.36 119.95 2yqe n ILE 160 Ca -0.30 -0.19 0.07 0.00 1.00 0.00 0.00 62.75 63.33 2yqe n ILE 160 Cb 0.73 -1.13 0.40 0.00 -0.71 0.00 0.00 39.64 38.93 2yqe n ILE 160 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2yqe n ILE 161 N -3.03 0.00 0.09 1.39 5.41 0.33 -3.57 119.36 119.98 2yqe n ILE 161 Ca -0.18 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.52 2yqe n ILE 161 Cb 0.67 -0.32 -0.02 0.00 -0.71 0.00 0.00 39.64 39.26 2yqe n ILE 161 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2yqe h TYR 162 N 0.00 -0.28 -0.22 1.39 3.20 0.56 -3.03 116.97 118.60 2yqe h TYR 162 Ca 0.00 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 2yqe h TYR 162 Cb 0.00 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2yqe h TYR 162 CO 0.00 -0.17 -0.43 -1.00 -1.64 0.00 0.00 178.16 174.92 2yqe h PRO 163 N -0.86 0.54 -0.80 1.82 0.13 -1.86 -1.77 132.00 129.20 2yqe h PRO 163 Ca -0.03 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2yqe h PRO 163 Cb 0.23 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.33 2yqe h PRO 163 CO 0.05 0.87 0.47 -0.92 -0.23 0.00 0.00 178.00 178.24 2yqe h TYR 164 N 0.44 1.05 0.00 1.56 3.20 -1.72 -1.51 116.97 119.99 2yqe h TYR 164 Ca 0.03 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2yqe h TYR 164 Cb 0.93 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2yqe h TYR 164 CO 0.04 0.70 -0.00 0.93 -1.64 0.00 0.00 178.16 178.19 2yqe h GLU 165 N 1.10 -0.00 -1.05 1.82 4.39 -1.45 -2.15 114.58 117.23 2yqe h GLU 165 Ca 0.29 0.00 0.42 0.00 0.34 0.00 0.00 59.36 60.40 2yqe h GLU 165 Cb -0.04 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.44 2yqe h GLU 165 CO -0.05 -0.00 0.59 0.00 -1.16 0.00 0.00 179.01 178.39 2yqe h MET 166 N -0.50 0.04 0.16 2.33 -0.00 -1.39 0.47 114.93 116.05 2yqe h MET 166 Ca -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2yqe h MET 166 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.59 2yqe h MET 166 CO 0.00 0.03 -0.08 0.35 -0.00 0.00 0.00 176.91 177.21 2yqe h PHE 167 N 0.04 -0.21 -0.38 -0.10 3.04 -1.40 -3.30 116.94 114.64 2yqe h PHE 167 Ca 0.84 -0.00 -0.25 0.00 3.98 0.00 0.00 57.97 62.53 2yqe h PHE 167 Cb 2.26 0.07 -0.11 0.00 2.56 0.00 0.00 35.95 40.73 2yqe h PHE 167 CO -0.01 0.16 0.32 1.04 -2.02 0.00 0.00 178.31 177.80 2yqe n GLN 168 N -4.91 1.62 -0.10 1.11 1.13 0.20 -4.21 117.38 112.22 2yqe n GLN 168 Ca -0.06 -1.24 -0.13 0.00 -1.94 0.00 0.00 57.00 53.63 2yqe n GLN 168 Cb 0.23 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 2yqe n GLN 168 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2yqe n SER 169 N 0.49 1.92 -0.01 1.08 2.88 0.14 -4.87 113.62 115.26 2yqe n SER 169 Ca 0.24 0.37 -0.01 0.00 -1.33 0.00 0.00 58.87 58.14 2yqe n SER 169 Cb 0.61 -0.78 -0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2yqe n SER 169 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqe n GLY 170 N 1.43 -0.23 0.00 0.46 0.00 -1.26 -5.10 105.19 100.50 2yqe n GLY 170 Ca -0.22 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2yqe n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32