#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 6.18 -0.78 1.61 1.04 -1.26 -5.01 113.70 115.48 2yqe s SER 73 Ca 0.00 -1.60 -0.16 0.00 0.48 0.00 0.00 55.95 54.68 2yqe s SER 73 Cb 0.00 -2.23 0.18 0.00 0.10 0.00 0.00 66.02 64.07 2yqe s SER 73 CO 0.00 -0.89 0.79 -0.55 0.98 0.00 0.00 173.24 173.57 2yqe s SER 74 N 3.42 6.61 0.01 7.02 0.15 -1.26 -5.00 113.70 124.65 2yqe s SER 74 Ca 0.06 -2.33 0.00 0.00 0.70 0.00 0.00 55.95 54.38 2yqe s SER 74 Cb -0.27 -2.25 -0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2yqe s SER 74 CO 0.05 -0.75 0.01 0.61 1.20 0.00 0.00 173.24 174.35 2yqe n GLY 75 N 4.53 4.07 3.57 9.45 0.00 -1.26 -5.12 105.19 120.43 2yqe n GLY 75 Ca 0.09 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2yqe n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqe s SER 76 N -1.08 6.43 0.22 1.61 0.01 -1.26 -5.01 113.70 114.61 2yqe s SER 76 Ca 0.01 0.12 -0.22 0.00 1.31 0.00 0.00 55.95 57.17 2yqe s SER 76 Cb 0.00 -2.33 0.04 0.00 0.21 0.00 0.00 66.02 63.94 2yqe s SER 76 CO 0.01 -0.62 0.67 -0.55 0.41 0.00 0.00 173.24 173.16 2yqe s SER 77 N 1.81 -0.40 0.00 2.44 0.15 -1.26 -5.02 113.70 111.43 2yqe s SER 77 Ca 0.25 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2yqe s SER 77 Cb -0.14 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2yqe s SER 77 CO 0.15 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 174.04 2yqe n GLY 78 N -0.42 0.52 0.20 9.45 0.00 -1.26 -5.02 105.19 108.66 2yqe n GLY 78 Ca -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.77 0.00 -0.29 2.61 -1.04 -1.26 -4.26 114.28 109.27 2yqe n THR 79 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 2yqe n THR 79 Cb 0.33 -0.61 0.11 0.00 -1.82 0.00 0.00 70.33 68.34 2yqe n THR 79 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2yqe n ARG 80 N -2.49 -0.07 0.03 -2.82 5.12 -1.26 -0.51 116.66 114.66 2yqe n ARG 80 Ca 0.00 1.24 -0.21 0.00 -1.93 0.00 0.00 57.85 56.94 2yqe n ARG 80 Cb 0.44 -1.84 -0.14 0.00 -1.16 0.00 0.00 32.46 29.76 2yqe n ARG 80 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2yqe h VAL 81 N 0.00 0.74 -1.46 1.55 2.07 -2.01 -3.35 116.25 113.79 2yqe h VAL 81 Ca 0.38 -2.42 0.46 0.00 0.82 0.00 0.00 66.70 65.94 2yqe h VAL 81 Cb 0.58 2.58 -0.10 0.00 -1.52 0.00 0.00 31.29 32.84 2yqe h VAL 81 CO -0.82 0.87 1.00 1.17 0.02 0.00 0.00 177.57 179.82 2yqe n LYS 82 N -3.49 -0.02 0.03 1.57 4.81 0.34 0.17 118.16 121.56 2yqe n LYS 82 Ca -0.29 1.02 -0.21 0.00 -0.87 0.00 0.00 58.31 57.96 2yqe n LYS 82 Cb 1.06 -2.16 -0.14 0.00 0.02 0.00 0.00 35.03 33.81 2yqe n LYS 82 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2yqe h LEU 83 N 0.00 0.43 -0.99 3.14 3.38 -1.55 -3.34 115.31 116.38 2yqe h LEU 83 Ca 0.79 -0.88 0.16 0.00 0.09 0.00 0.00 57.88 58.04 2yqe h LEU 83 Cb 2.87 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 43.32 2yqe h LEU 83 CO -0.21 1.56 -0.36 -1.13 0.09 0.00 0.00 178.44 178.39 2yqe h ASN 84 N -0.30 -1.33 -0.21 -0.43 -1.24 0.16 0.34 115.58 112.57 2yqe h ASN 84 Ca -0.26 0.31 0.05 0.00 0.71 0.00 0.00 56.30 57.11 2yqe h ASN 84 Cb 1.75 0.73 -0.04 0.00 0.73 0.00 0.00 38.32 41.48 2yqe h ASN 84 CO 0.10 -0.30 -0.08 0.22 -1.29 0.00 0.00 177.43 176.08 2yqe h TYR 85 N -0.00 -0.17 0.55 0.67 3.20 -1.65 0.21 116.97 119.77 2yqe h TYR 85 Ca 0.37 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 2yqe h TYR 85 Cb 0.62 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 2yqe h TYR 85 CO -0.85 -0.12 -0.51 -0.07 -1.64 0.00 0.00 178.16 174.97 2yqe h LEU 86 N -0.04 -1.38 -1.08 2.82 3.38 -0.56 0.16 115.31 118.62 2yqe h LEU 86 Ca 0.11 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.31 2yqe h LEU 86 Cb 0.20 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2yqe h LEU 86 CO -0.24 -0.69 0.62 0.44 0.09 0.00 0.00 178.44 178.66 2yqe h ASP 87 N -1.05 0.85 0.68 -0.43 5.19 -0.77 0.34 116.42 121.24 2yqe h ASP 87 Ca -0.07 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 2yqe h ASP 87 Cb 0.90 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 40.29 2yqe h ASP 87 CO -0.04 0.44 -0.33 1.56 -3.12 0.00 0.00 179.24 177.75 2yqe h GLN 88 N 0.91 -0.88 -0.47 3.56 4.20 -0.04 0.22 115.11 122.60 2yqe h GLN 88 Ca 0.49 0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.25 2yqe h GLN 88 Cb 0.57 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2yqe h GLN 88 CO -0.26 -0.56 0.25 0.97 -0.67 0.00 0.00 178.83 178.57 2yqe h ILE 89 N -1.06 1.15 0.08 2.54 2.10 -0.30 -2.88 117.51 119.13 2yqe h ILE 89 Ca -0.09 -0.38 -0.00 0.00 1.08 0.00 0.00 64.86 65.46 2yqe h ILE 89 Cb 0.73 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 2yqe h ILE 89 CO 0.15 0.16 -0.04 0.00 -1.08 0.00 0.00 178.15 177.35 2yqe h ALA 90 N 1.63 -0.10 -1.28 0.18 0.00 -0.22 -2.91 119.26 116.56 2yqe h ALA 90 Ca 0.17 -0.20 0.39 0.00 0.00 0.00 0.00 54.91 55.27 2yqe h ALA 90 Cb 0.03 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.74 2yqe h ALA 90 CO -0.03 -0.35 0.84 -0.22 0.00 0.00 0.00 179.25 179.49 2yqe h LYS 91 N -0.52 0.15 0.02 0.00 3.64 -0.35 0.43 116.57 119.95 2yqe h LYS 91 Ca -0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2yqe h LYS 91 Cb 0.44 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2yqe h LYS 91 CO 0.02 0.10 -0.01 0.35 -2.27 0.00 0.00 179.45 177.63 2yqe h PHE 92 N 0.15 -0.03 0.72 1.91 3.57 -1.47 -3.20 116.94 118.59 2yqe h PHE 92 Ca 0.75 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 62.22 2yqe h PHE 92 Cb 2.35 0.01 0.01 0.00 2.79 0.00 0.00 35.95 41.11 2yqe h PHE 92 CO -0.00 0.57 -0.35 -1.49 -2.23 0.00 0.00 178.31 174.81 2yqe h TRP 93 N -0.65 -0.90 -0.94 0.41 4.06 -0.39 -2.46 115.95 115.08 2yqe h TRP 93 Ca -0.00 -0.02 0.38 0.00 2.06 0.00 0.00 58.89 61.31 2yqe h TRP 93 Cb 0.61 0.30 -0.15 0.00 -1.00 0.00 0.00 29.16 28.91 2yqe h TRP 93 CO 0.14 -0.53 0.53 -0.85 -3.56 0.00 0.00 178.44 174.16 2yqe n GLU 94 N -5.45 -0.05 0.10 0.49 0.28 0.12 0.26 120.64 116.38 2yqe n GLU 94 Ca -0.13 1.20 -0.11 0.00 -0.16 0.00 0.00 57.16 57.96 2yqe n GLU 94 Cb 0.40 -2.19 -0.07 0.00 1.43 0.00 0.00 31.44 31.00 2yqe n GLU 94 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2yqe h ILE 95 N 0.00 0.71 -1.22 3.84 2.04 -1.51 -3.19 117.51 118.17 2yqe h ILE 95 Ca 0.76 -0.93 0.37 0.00 1.00 0.00 0.00 64.86 66.06 2yqe h ILE 95 Cb 2.08 1.15 -0.11 0.00 -0.74 0.00 0.00 36.82 39.20 2yqe h ILE 95 CO -0.64 0.17 0.79 1.56 0.00 0.00 0.00 178.15 180.03 2yqe h GLN 96 N -0.87 0.18 0.00 2.37 1.08 0.29 -3.45 115.11 114.71 2yqe h GLN 96 Ca -0.03 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2yqe h GLN 96 Cb 0.51 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2yqe h GLN 96 CO 0.05 0.12 0.00 0.41 -0.95 0.00 0.00 178.83 178.46 2yqe n GLY 97 N -1.52 0.56 3.47 3.46 0.00 -0.65 -5.05 105.19 105.47 2yqe n GLY 97 Ca 0.33 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 2yqe n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yqe s SER 98 N -0.93 6.39 0.49 1.61 1.04 -1.25 -4.96 113.70 116.08 2yqe s SER 98 Ca 0.00 -1.41 -0.16 0.00 0.48 0.00 0.00 55.95 54.86 2yqe s SER 98 Cb 0.00 -2.44 -0.14 0.00 0.10 0.00 0.00 66.02 63.54 2yqe s SER 98 CO 0.00 -1.34 -0.16 -1.54 0.98 0.00 0.00 173.24 171.18 2yqe n SER 99 N 7.57 -3.46 -4.52 7.02 3.41 -1.26 -4.49 113.62 117.89 2yqe n SER 99 Ca 0.12 0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 58.86 2yqe n SER 99 Cb 0.48 -0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 63.62 2yqe n SER 99 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2yqe s LEU 100 N 4.72 4.27 -0.32 1.04 2.96 -1.26 -4.94 118.68 125.14 2yqe s LEU 100 Ca 0.50 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.98 2yqe s LEU 100 Cb -0.43 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.41 2yqe s LEU 100 CO 0.61 -1.07 0.19 -0.75 -1.32 0.00 0.00 176.35 174.01 2yqe s LYS 101 N 3.53 3.42 -0.16 1.98 2.20 -1.26 -5.06 119.74 124.38 2yqe s LYS 101 Ca 0.28 -0.68 -0.28 0.00 -0.36 0.00 0.00 55.97 54.93 2yqe s LYS 101 Cb -0.13 -3.68 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 2yqe s LYS 101 CO 0.20 -0.43 0.97 0.42 -0.36 0.00 0.00 175.35 176.16 2yqe s ILE 102 N 1.67 4.77 0.42 5.43 1.09 -1.26 -5.02 121.20 128.29 2yqe s ILE 102 Ca 0.05 1.94 -0.25 0.00 -1.10 0.00 0.00 60.65 61.29 2yqe s ILE 102 Cb -0.17 -4.27 -0.08 0.00 -1.06 0.00 0.00 42.46 36.88 2yqe s ILE 102 CO 0.08 -0.05 1.18 -2.16 -0.10 0.00 0.00 174.94 173.89 2yqe s PRO 103 N 2.45 3.96 -0.40 2.79 0.04 -1.26 -4.96 135.00 137.63 2yqe s PRO 103 Ca 0.44 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 63.21 2yqe s PRO 103 Cb -0.17 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 31.79 2yqe s PRO 103 CO 0.12 -0.40 0.26 -0.80 0.04 0.00 0.00 177.00 176.22 2yqe s ASN 104 N -1.15 5.90 -0.05 6.66 -0.87 -1.26 -3.43 114.94 120.74 2yqe s ASN 104 Ca 0.59 -1.01 0.03 0.00 -1.57 0.00 0.00 52.86 50.90 2yqe s ASN 104 Cb -0.31 -2.08 -0.03 0.00 -0.02 0.00 0.00 41.25 38.81 2yqe s ASN 104 CO 0.39 -0.44 -0.13 -0.69 -2.57 0.00 0.00 177.10 173.66 2yqe s VAL 105 N 1.60 3.21 -1.36 1.60 1.01 -0.60 -4.63 120.40 121.23 2yqe s VAL 105 Ca 0.03 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 2yqe s VAL 105 Cb -0.20 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.93 2yqe s VAL 105 CO 0.08 0.57 1.03 -0.62 0.00 0.00 0.00 175.10 176.15 2yqe n GLU 106 N 2.21 -6.65 -3.05 2.72 -0.58 -1.26 -1.44 120.64 112.58 2yqe n GLU 106 Ca -0.17 0.75 -0.18 0.00 -0.42 0.00 0.00 57.16 57.14 2yqe n GLU 106 Cb 0.52 -5.68 -0.01 0.00 -0.57 0.00 0.00 31.44 25.70 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 -4.64 -2.90 -3.64 3.49 1.85 -1.26 -4.90 116.66 104.66 2yqe n ARG 107 Ca -0.09 0.42 -0.12 0.00 -1.00 0.00 0.00 57.85 57.06 2yqe n ARG 107 Cb 0.59 -5.06 -0.05 0.00 -1.05 0.00 0.00 32.46 26.89 2yqe n ARG 107 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2yqe s LYS 108 N -5.67 1.01 0.35 2.89 -2.85 -0.52 -5.15 119.74 109.80 2yqe s LYS 108 Ca 0.26 -0.53 -0.28 0.00 -1.00 0.00 0.00 55.97 54.41 2yqe s LYS 108 Cb -0.14 0.45 -0.11 0.00 -2.06 0.00 0.00 37.83 35.97 2yqe s LYS 108 CO 0.32 -0.37 1.41 -1.50 0.10 0.00 0.00 175.35 175.30 2yqe s ILE 109 N -3.16 2.38 -0.20 3.79 2.07 -1.26 -1.56 121.20 123.25 2yqe s ILE 109 Ca -0.01 0.38 -0.25 0.00 -1.41 0.00 0.00 60.65 59.36 2yqe s ILE 109 Cb 0.01 -3.24 -0.01 0.00 0.13 0.00 0.00 42.46 39.35 2yqe s ILE 109 CO -0.07 0.09 0.82 -0.22 -1.91 0.00 0.00 174.94 173.65 2yqe s LEU 110 N -1.84 4.13 -1.39 8.50 0.20 -1.22 -4.83 118.68 122.23 2yqe s LEU 110 Ca 0.52 1.10 -0.16 0.00 0.69 0.00 0.00 54.13 56.28 2yqe s LEU 110 Cb -0.43 -3.20 0.05 0.00 -0.43 0.00 0.00 46.19 42.18 2yqe s LEU 110 CO 0.57 -0.44 2.03 -0.67 -0.29 0.00 0.00 176.35 177.55 2yqe n ASP 111 N 5.55 4.31 0.03 3.68 -0.08 -1.26 -4.74 116.55 124.04 2yqe n ASP 111 Ca 0.05 -2.87 0.11 0.00 -1.51 0.00 0.00 54.79 50.57 2yqe n ASP 111 Cb 0.48 -1.70 0.56 0.00 2.34 0.00 0.00 41.12 42.81 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 11.03 0.22 0.38 -2.67 -0.00 -1.99 -2.64 115.31 119.64 2yqe h LEU 112 Ca 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.39 2yqe h LEU 112 Cb 0.73 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 2yqe h LEU 112 CO 1.72 0.14 -0.29 0.22 -0.00 0.00 0.00 178.44 180.23 2yqe h TYR 113 N 0.25 -0.78 0.20 0.17 3.20 -1.91 -2.17 116.97 115.92 2yqe h TYR 113 Ca 0.18 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 2yqe h TYR 113 Cb 0.41 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2yqe h TYR 113 CO -0.00 -0.41 -0.32 0.77 -1.64 0.00 0.00 178.16 176.57 2yqe h SER 114 N -0.64 -0.91 -0.71 -2.11 0.02 -1.92 -2.07 113.55 105.20 2yqe h SER 114 Ca -0.05 0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 2yqe h SER 114 Cb 0.53 0.32 -0.12 0.00 0.14 0.00 0.00 62.40 63.28 2yqe h SER 114 CO 0.02 -0.38 -0.27 -0.11 -1.14 0.00 0.00 176.83 174.95 2yqe n LEU 115 N -4.27 -0.45 0.21 5.07 7.94 -1.01 -0.22 117.00 124.28 2yqe n LEU 115 Ca -0.06 1.24 -0.11 0.00 -1.11 0.00 0.00 56.01 55.96 2yqe n LEU 115 Cb 0.27 -0.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.87 2yqe n LEU 115 CO 0.13 -1.12 0.52 -1.28 -1.11 0.00 0.00 177.39 174.53 2yqe h SER 116 N 0.00 -0.76 -0.70 1.96 0.87 -1.03 -0.87 113.55 113.01 2yqe h SER 116 Ca 0.25 0.05 0.13 0.00 -1.23 0.00 0.00 61.79 61.00 2yqe h SER 116 Cb 0.43 0.24 -0.13 0.00 -0.44 0.00 0.00 62.40 62.49 2yqe h SER 116 CO -0.71 -0.41 -0.24 0.11 -0.53 0.00 0.00 176.83 175.05 2yqe h LYS 117 N -0.64 -0.05 -0.94 2.24 6.56 -0.15 0.35 116.57 123.95 2yqe h LYS 117 Ca -0.05 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.66 2yqe h LYS 117 Cb 0.53 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 32.12 2yqe h LYS 117 CO 0.01 -0.03 0.57 0.82 -2.06 0.00 0.00 179.45 178.76 2yqe h ILE 118 N -0.05 0.88 -0.58 1.86 2.04 -0.44 0.23 117.51 121.46 2yqe h ILE 118 Ca 0.32 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 2yqe h ILE 118 Cb 0.54 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2yqe h ILE 118 CO -0.74 0.16 -0.02 0.58 0.00 0.00 0.00 178.15 178.13 2yqe h VAL 119 N 0.89 1.26 0.26 1.67 2.07 0.11 -2.43 116.25 120.08 2yqe h VAL 119 Ca 0.47 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2yqe h VAL 119 Cb 0.49 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2yqe h VAL 119 CO -0.28 0.42 -0.12 0.40 0.02 0.00 0.00 177.57 178.01 2yqe h ILE 120 N 0.94 0.68 -1.02 4.57 2.04 0.27 -1.29 117.51 123.70 2yqe h ILE 120 Ca 0.16 -0.85 0.25 0.00 1.00 0.00 0.00 64.86 65.43 2yqe h ILE 120 Cb 0.57 1.07 -0.10 0.00 -0.74 0.00 0.00 36.82 37.62 2yqe h ILE 120 CO 0.03 0.15 0.64 1.05 0.00 0.00 0.00 178.15 180.02 2yqe h GLU 121 N -0.86 0.47 0.00 2.37 4.11 -0.64 0.77 114.58 120.80 2yqe h GLU 121 Ca -0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 2yqe h GLU 121 Cb 0.51 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2yqe h GLU 121 CO 0.06 0.31 -0.20 0.93 0.07 0.00 0.00 179.01 180.18 2yqe h GLU 122 N 0.48 0.00 0.00 1.06 5.08 -1.42 -3.45 114.58 116.33 2yqe h GLU 122 Ca 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 2yqe h GLU 122 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2yqe h GLU 122 CO -0.34 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.28 2yqe n GLY 123 N -0.68 0.51 0.92 -3.84 0.00 0.26 -4.83 105.19 97.52 2yqe n GLY 123 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.92 0.13 -0.02 0.00 -0.47 -4.03 105.19 97.88 2yqe n GLY 124 Ca 0.00 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 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 0.59 -0.14 1.61 5.03 -1.92 -3.30 116.97 118.84 2yqe h TYR 125 Ca 0.00 -0.43 -0.01 0.00 2.58 0.00 0.00 58.73 60.87 2yqe h TYR 125 Cb 0.00 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 2yqe h TYR 125 CO 0.00 1.61 0.07 0.93 -1.32 0.00 0.00 178.16 179.44 2yqe h GLU 126 N 0.09 0.20 0.00 1.82 4.39 -1.94 -1.69 114.58 117.45 2yqe h GLU 126 Ca -0.33 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2yqe h GLU 126 Cb 2.07 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2yqe h GLU 126 CO 0.16 0.25 0.00 0.00 -1.16 0.00 0.00 179.01 178.26 2yqe n ALA 127 N -2.20 -0.30 -0.38 3.43 0.00 -1.26 -0.51 120.51 119.31 2yqe n ALA 127 Ca -0.05 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.70 2yqe n ALA 127 Cb 0.09 0.15 0.61 0.00 0.00 0.00 0.00 19.45 20.30 2yqe n ALA 127 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2yqe h ILE 128 N 0.00 0.36 -0.11 0.00 -0.00 -1.64 1.03 117.51 117.14 2yqe h ILE 128 Ca 0.00 -0.07 -0.11 0.00 -0.00 0.00 0.00 64.86 64.68 2yqe h ILE 128 Cb 0.00 0.13 -0.01 0.00 -0.00 0.00 0.00 36.82 36.93 2yqe h ILE 128 CO 0.00 0.04 -0.41 0.00 -0.00 0.00 0.00 178.15 177.78 2yqe h LYS 130 N 0.21 0.34 -0.89 0.00 1.79 0.37 -2.95 116.57 115.45 2yqe h LYS 130 Ca 0.02 -0.15 -0.12 0.00 -2.18 0.00 0.00 60.65 58.22 2yqe h LYS 130 Cb 0.82 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.39 2yqe h LYS 130 CO 0.06 0.66 0.15 -0.25 -1.08 0.00 0.00 179.45 179.00 2yqe n ASP 131 N -4.62 3.40 -3.88 0.86 8.00 -0.89 -4.88 116.55 114.54 2yqe n ASP 131 Ca -0.06 -2.63 -0.29 0.00 0.71 0.00 0.00 54.79 52.53 2yqe n ASP 131 Cb 0.31 -0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 40.71 2yqe n ASP 131 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2yqe n ARG 132 N 0.02 -0.86 -0.19 -1.24 5.12 -0.89 -4.72 116.66 113.90 2yqe n ARG 132 Ca 0.22 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 2yqe n ARG 132 Cb 0.90 -3.21 0.07 0.00 -1.16 0.00 0.00 32.46 29.06 2yqe n ARG 132 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2yqe n ARG 133 N -3.51 1.68 -0.15 5.56 1.74 0.95 -4.10 116.66 118.83 2yqe n ARG 133 Ca -0.08 -0.62 -0.10 0.00 -0.77 0.00 0.00 57.85 56.29 2yqe n ARG 133 Cb 0.44 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 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 0.69 0.86 -0.39 -1.55 4.06 -1.85 -1.88 115.95 115.88 2yqe h TRP 134 Ca 0.02 -0.15 0.06 0.00 2.06 0.00 0.00 58.89 60.88 2yqe h TRP 134 Cb 0.89 -0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.78 2yqe h TRP 134 CO 0.23 0.83 0.09 0.00 -3.56 0.00 0.00 178.44 176.04 2yqe h ALA 135 N 0.91 0.43 -0.18 1.49 0.00 -1.94 -0.99 119.26 118.98 2yqe h ALA 135 Ca 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2yqe h ALA 135 Cb 0.49 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2yqe h ALA 135 CO 0.02 -0.31 0.04 -0.09 0.00 0.00 0.00 179.25 178.91 2yqe h ARG 136 N 0.22 0.28 -0.92 0.00 1.12 -1.84 -2.42 114.38 110.82 2yqe h ARG 136 Ca 0.19 -0.07 0.14 0.00 -1.11 0.00 0.00 59.98 59.13 2yqe h ARG 136 Cb 0.21 -0.04 -0.08 0.00 -0.01 0.00 0.00 29.97 30.06 2yqe h ARG 136 CO -0.23 0.42 0.59 0.28 -3.11 0.00 0.00 179.97 177.92 2yqe h VAL 137 N 0.10 0.84 0.21 0.20 2.07 -0.96 0.60 116.25 119.31 2yqe h VAL 137 Ca 0.06 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2yqe h VAL 137 Cb 0.27 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2yqe h VAL 137 CO 0.00 0.14 -0.10 0.00 0.02 0.00 0.00 177.57 177.63 2yqe h ALA 138 N 1.59 -0.28 -0.86 1.67 0.00 -0.96 -2.93 119.26 117.49 2yqe h ALA 138 Ca 0.47 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2yqe h ALA 138 Cb 0.70 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2yqe h ALA 138 CO -0.23 -0.48 0.56 0.37 0.00 0.00 0.00 179.25 179.47 2yqe h GLN 139 N -0.63 1.00 -0.23 0.00 5.75 -0.92 -1.00 115.11 119.09 2yqe h GLN 139 Ca -0.03 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2yqe h GLN 139 Cb 0.45 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2yqe h GLN 139 CO 0.05 0.66 0.16 0.00 -2.65 0.00 0.00 178.83 177.04 2yqe h ARG 140 N 1.03 0.21 -0.27 1.69 2.47 -0.85 0.84 114.38 119.50 2yqe h ARG 140 Ca 0.35 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 2yqe h ARG 140 Cb 0.09 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2yqe h ARG 140 CO -0.11 0.14 0.00 -0.11 0.56 0.00 0.00 179.97 180.44 2yqe n LEU 141 N -4.50 0.41 -2.74 3.04 -0.00 -0.38 -4.86 117.00 107.97 2yqe n LEU 141 Ca 0.01 -0.21 -0.12 0.00 -0.00 0.00 0.00 56.01 55.70 2yqe n LEU 141 Cb 0.15 -0.14 0.06 0.00 -0.00 0.00 0.00 43.42 43.49 2yqe n LEU 141 CO 0.35 0.10 0.06 1.41 -0.00 0.00 0.00 177.39 179.30 2yqe n HIS 142 N -0.31 -1.64 -4.19 1.96 8.25 0.29 -5.04 115.22 114.55 2yqe n HIS 142 Ca 0.01 0.65 -0.23 0.00 -0.26 0.00 0.00 57.72 57.89 2yqe n HIS 142 Cb 0.09 -4.02 -0.06 0.00 1.12 0.00 0.00 29.99 27.13 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 -3.26 2.93 -0.28 4.41 2.02 -1.20 -5.04 117.35 116.92 2yqe s TYR 143 Ca 0.12 -0.15 -0.29 0.00 -0.37 0.00 0.00 57.07 56.38 2yqe s TYR 143 Cb -0.02 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 40.20 2yqe s TYR 143 CO 0.52 0.56 1.65 -1.25 -1.57 0.00 0.00 175.55 175.47 2yqe s PRO 144 N -3.62 3.61 -0.04 -1.71 0.04 -1.26 -4.71 135.00 127.30 2yqe s PRO 144 Ca 0.32 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 2yqe s PRO 144 Cb -0.08 -4.09 -0.05 0.00 0.04 0.00 0.00 34.50 30.32 2yqe s PRO 144 CO 0.22 -1.53 1.49 -1.25 0.04 0.00 0.00 177.00 175.97 2yqe s PRO 145 N 5.05 4.23 0.00 0.56 0.04 -1.26 -4.23 135.00 139.40 2yqe s PRO 145 Ca 0.73 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.79 2yqe s PRO 145 Cb -0.23 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2yqe s PRO 145 CO 0.31 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2yqe n GLY 146 N 3.84 0.53 3.39 0.56 0.00 -1.26 -5.14 105.19 107.10 2yqe n GLY 146 Ca 0.15 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2yqe n GLY 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yqe n LYS 147 N 0.00 -2.68 -0.92 1.61 4.81 -1.26 -4.85 118.16 114.88 2yqe n LYS 147 Ca 0.00 -0.76 -0.15 0.00 -0.87 0.00 0.00 58.31 56.53 2yqe n LYS 147 Cb 0.00 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.03 2yqe n LYS 147 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2yqe n ASN 148 N -4.37 6.17 -0.30 3.14 6.94 -1.26 -4.63 115.26 120.95 2yqe n ASN 148 Ca 0.03 -2.92 0.13 0.00 -0.02 0.00 0.00 54.58 51.80 2yqe n ASN 148 Cb 0.56 -1.12 0.29 0.00 -2.36 0.00 0.00 39.78 37.14 2yqe n ASN 148 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2yqe h ILE 149 N 1.22 0.25 -0.80 1.53 2.04 -1.92 -1.19 117.51 118.65 2yqe h ILE 149 Ca 0.24 -0.05 0.12 0.00 1.00 0.00 0.00 64.86 66.17 2yqe h ILE 149 Cb 0.94 0.09 -0.13 0.00 -0.74 0.00 0.00 36.82 36.98 2yqe h ILE 149 CO 0.60 0.03 -0.33 0.61 0.00 0.00 0.00 178.15 179.05 2yqe n GLY 150 N -1.40 -1.70 0.07 5.37 0.00 -1.26 0.29 105.19 106.56 2yqe n GLY 150 Ca 0.21 0.90 -0.11 0.00 0.00 0.00 0.00 46.02 47.03 2yqe n GLY 150 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yqe h SER 151 N 0.00 -0.08 -0.41 1.61 0.02 -1.61 -2.41 113.55 110.67 2yqe h SER 151 Ca 0.26 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 2yqe h SER 151 Cb 0.46 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.97 2yqe h SER 151 CO -0.79 -0.04 -0.11 0.25 -1.14 0.00 0.00 176.83 175.00 2yqe h LEU 152 N -0.03 -0.40 0.16 5.07 6.46 -0.17 -2.01 115.31 124.38 2yqe h LEU 152 Ca 0.02 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2yqe h LEU 152 Cb 0.06 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2yqe h LEU 152 CO -0.05 -0.14 -0.28 -0.07 -0.62 0.00 0.00 178.44 177.28 2yqe h LEU 153 N -0.01 -0.80 -0.97 2.25 3.38 -0.63 -1.35 115.31 117.18 2yqe h LEU 153 Ca 0.20 0.07 0.27 0.00 0.09 0.00 0.00 57.88 58.51 2yqe h LEU 153 Cb 0.31 0.28 -0.18 0.00 0.09 0.00 0.00 40.66 41.16 2yqe h LEU 153 CO -0.42 -0.33 0.08 -0.09 0.09 0.00 0.00 178.44 177.77 2yqe h ARG 154 N -0.47 0.03 0.71 1.13 2.43 -1.21 0.92 114.38 117.92 2yqe h ARG 154 Ca -0.02 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2yqe h ARG 154 Cb 0.43 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2yqe h ARG 154 CO -0.10 0.02 -0.45 1.03 -1.51 0.00 0.00 179.97 178.97 2yqe h SER 155 N 0.03 -1.13 -0.45 -3.80 0.87 -0.79 0.14 113.55 108.41 2yqe h SER 155 Ca 0.60 0.07 0.09 0.00 -1.23 0.00 0.00 61.79 61.31 2yqe h SER 155 Cb 1.26 0.33 -0.08 0.00 -0.44 0.00 0.00 62.40 63.47 2yqe h SER 155 CO -0.88 -0.69 -0.04 0.45 -0.53 0.00 0.00 176.83 175.14 2yqe h HIS 156 N -1.09 -0.11 0.58 2.24 3.86 0.18 0.60 115.15 121.41 2yqe h HIS 156 Ca -0.09 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 2yqe h HIS 156 Cb 0.88 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 2yqe h HIS 156 CO -0.11 -0.14 -0.39 -0.92 0.86 0.00 0.00 177.93 177.24 2yqe h TYR 157 N 0.07 -1.03 0.00 2.45 5.03 -0.77 0.20 116.97 122.90 2yqe h TYR 157 Ca 0.22 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2yqe h TYR 157 Cb 0.33 0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.99 2yqe h TYR 157 CO -0.33 -0.58 0.00 0.39 -1.32 0.00 0.00 178.16 176.33 2yqe n GLU 158 N -5.52 0.01 -0.07 1.82 1.02 0.46 0.13 120.64 118.48 2yqe n GLU 158 Ca -0.12 0.32 -0.08 0.00 -0.02 0.00 0.00 57.16 57.26 2yqe n GLU 158 Cb 0.41 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 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 0.00 0.00 3.49 2.43 0.14 -3.36 114.38 117.08 2yqe h ARG 159 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 2yqe h ARG 159 Cb 0.17 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 2yqe h ARG 159 CO 0.00 0.26 -2.13 -0.89 -1.51 0.00 0.00 179.97 175.69 2yqe n ILE 160 N -4.61 1.14 1.56 1.20 5.41 0.57 -4.40 119.36 120.23 2yqe n ILE 160 Ca -0.11 -0.42 0.13 0.00 1.00 0.00 0.00 62.75 63.35 2yqe n ILE 160 Cb 0.32 -1.27 0.75 0.00 -0.71 0.00 0.00 39.64 38.72 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 -3.19 0.02 0.13 1.39 5.41 0.34 -3.28 119.36 120.18 2yqe n ILE 161 Ca -0.36 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.34 2yqe n ILE 161 Cb 0.86 -0.61 -0.03 0.00 -0.71 0.00 0.00 39.64 39.16 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 -0.37 -0.14 1.39 3.20 0.50 -2.71 116.97 118.84 2yqe h TYR 162 Ca 0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2yqe h TYR 162 Cb 0.02 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2yqe h TYR 162 CO 0.00 -0.23 -0.45 -1.00 -1.64 0.00 0.00 178.16 174.84 2yqe h PRO 163 N -0.98 0.35 -0.26 1.82 0.13 -1.82 -1.90 132.00 129.34 2yqe h PRO 163 Ca -0.04 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 64.88 2yqe h PRO 163 Cb 0.30 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 2yqe h PRO 163 CO 0.07 0.73 0.06 -0.92 -0.23 0.00 0.00 178.00 177.70 2yqe h TYR 164 N 0.28 0.44 0.30 1.56 3.20 -1.69 0.90 116.97 121.96 2yqe h TYR 164 Ca 0.02 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2yqe h TYR 164 Cb 0.90 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2yqe h TYR 164 CO 0.02 0.51 -0.14 0.93 -1.64 0.00 0.00 178.16 177.84 2yqe h GLU 165 N 0.24 -0.39 -0.94 1.82 4.39 -1.47 -2.18 114.58 116.05 2yqe h GLU 165 Ca 0.08 0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.91 2yqe h GLU 165 Cb 0.29 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.95 2yqe h GLU 165 CO 0.00 -0.05 0.58 0.00 -1.16 0.00 0.00 179.01 178.39 2yqe h MET 166 N -0.87 0.92 -0.37 2.33 -0.00 -1.40 -1.76 114.93 113.78 2yqe h MET 166 Ca -0.04 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.59 2yqe h MET 166 Cb 0.52 -0.21 -0.02 0.00 -0.00 0.00 0.00 31.60 31.89 2yqe h MET 166 CO 0.07 0.61 0.18 0.35 -0.00 0.00 0.00 176.91 178.12 2yqe h PHE 167 N 0.94 0.53 -3.26 -0.10 3.57 -0.83 -3.33 116.94 114.46 2yqe h PHE 167 Ca 0.46 -0.02 -0.67 0.00 3.53 0.00 0.00 57.97 61.26 2yqe h PHE 167 Cb 0.42 -0.17 -0.38 0.00 2.79 0.00 0.00 35.95 38.62 2yqe h PHE 167 CO -0.02 0.45 -0.29 -0.65 -2.23 0.00 0.00 178.31 175.56 2yqe s GLN 168 N -5.73 2.91 -0.49 1.11 -1.52 -0.68 -4.98 119.66 110.27 2yqe s GLN 168 Ca -0.13 -3.22 0.03 0.00 -1.95 0.00 0.00 55.36 50.09 2yqe s GLN 168 Cb 0.10 -3.74 0.14 0.00 -0.22 0.00 0.00 33.01 29.29 2yqe s GLN 168 CO 0.74 -1.26 0.28 0.45 -0.25 0.00 0.00 175.29 175.25 2yqe s SER 169 N -0.52 3.76 0.00 5.90 0.15 -1.09 -4.73 113.70 117.17 2yqe s SER 169 Ca 0.25 -2.90 0.00 0.00 0.70 0.00 0.00 55.95 54.01 2yqe s SER 169 Cb -0.08 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 2yqe s SER 169 CO -0.13 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2yqe n GLY 170 N 3.20 -1.94 0.00 9.45 0.00 -1.26 -5.10 105.19 109.54 2yqe n GLY 170 Ca 0.11 0.82 0.09 0.00 0.00 0.00 0.00 46.02 47.04 2yqe n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32