#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 2.52 0.27 1.61 1.04 -1.26 -5.11 113.70 112.78 2yqe s SER 73 Ca 0.00 -0.45 -0.30 0.00 0.48 0.00 0.00 55.95 55.68 2yqe s SER 73 Cb 0.00 -1.15 -0.12 0.00 0.10 0.00 0.00 66.02 64.85 2yqe s SER 73 CO 0.00 0.06 1.59 -1.20 0.98 0.00 0.00 173.24 174.67 2yqe n SER 74 N 3.93 3.75 -1.34 7.02 7.64 -1.26 -5.00 113.62 128.36 2yqe n SER 74 Ca -0.20 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2yqe n SER 74 Cb 0.52 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2yqe n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yqe n GLY 75 N 2.41 1.00 3.31 0.23 0.00 -1.26 -5.01 105.19 105.87 2yqe n GLY 75 Ca 0.10 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.00 7.11 0.92 1.61 0.01 -1.26 -5.05 113.70 116.03 2yqe s SER 76 Ca 0.00 -3.56 -0.11 0.00 1.31 0.00 0.00 55.95 53.58 2yqe s SER 76 Cb 0.00 -2.17 0.10 0.00 0.21 0.00 0.00 66.02 64.16 2yqe s SER 76 CO 0.00 -0.29 0.89 -0.24 0.41 0.00 0.00 173.24 174.01 2yqe n SER 77 N 2.72 -0.47 -3.30 2.44 2.88 -1.26 -4.98 113.62 111.65 2yqe n SER 77 Ca 0.23 0.41 -0.26 0.00 -1.33 0.00 0.00 58.87 57.92 2yqe n SER 77 Cb 0.39 -1.38 -0.07 0.00 -0.75 0.00 0.00 64.21 62.40 2yqe n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqe n GLY 78 N 0.74 4.19 1.74 0.46 0.00 -1.26 -4.88 105.19 106.18 2yqe n GLY 78 Ca 0.10 -2.34 -0.18 0.00 0.00 0.00 0.00 46.02 43.60 2yqe n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yqe n THR 79 N 0.93 2.70 -0.00 2.61 -2.24 -1.26 -4.78 114.28 112.25 2yqe n THR 79 Ca 0.27 -3.55 -0.10 0.00 -2.27 0.00 0.00 64.05 58.40 2yqe n THR 79 Cb 0.46 -0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 2yqe n THR 79 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2yqe h ARG 80 N 1.75 -0.03 0.11 -0.78 9.65 -1.99 -1.91 114.38 121.18 2yqe h ARG 80 Ca 0.34 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.22 2yqe h ARG 80 Cb 1.40 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.99 2yqe h ARG 80 CO 0.75 -0.02 -0.05 0.28 2.80 0.00 0.00 179.97 183.72 2yqe h VAL 81 N -0.03 0.00 -1.45 0.20 2.07 -2.00 -2.82 116.25 112.22 2yqe h VAL 81 Ca 0.06 -0.42 0.42 0.00 0.82 0.00 0.00 66.70 67.58 2yqe h VAL 81 Cb 0.11 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.82 2yqe h VAL 81 CO -0.12 0.00 1.19 0.29 0.02 0.00 0.00 177.57 178.95 2yqe n LYS 82 N -3.57 0.00 -0.01 1.57 5.02 -1.25 0.18 118.16 120.11 2yqe n LYS 82 Ca -0.02 0.93 -0.18 0.00 -2.02 0.00 0.00 58.31 57.02 2yqe n LYS 82 Cb 0.06 -2.21 -0.14 0.00 -0.02 0.00 0.00 35.03 32.72 2yqe n LYS 82 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2yqe h LEU 83 N 0.00 0.24 -0.66 -0.35 3.38 -1.39 -3.31 115.31 113.22 2yqe h LEU 83 Ca 0.69 -0.94 0.12 0.00 0.09 0.00 0.00 57.88 57.84 2yqe h LEU 83 Cb 3.06 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 43.61 2yqe h LEU 83 CO -0.01 1.26 -0.29 -1.13 0.09 0.00 0.00 178.44 178.36 2yqe h ASN 84 N -0.66 -1.03 -0.86 -0.43 -1.24 0.22 0.51 115.58 112.09 2yqe h ASN 84 Ca -0.11 0.23 0.14 0.00 0.71 0.00 0.00 56.30 57.27 2yqe h ASN 84 Cb 1.37 0.55 -0.07 0.00 0.73 0.00 0.00 38.32 40.91 2yqe h ASN 84 CO 0.06 -0.28 0.56 0.22 -1.29 0.00 0.00 177.43 176.69 2yqe h TYR 85 N -0.10 0.76 0.40 0.67 3.20 -1.64 0.14 116.97 120.40 2yqe h TYR 85 Ca 0.28 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 2yqe h TYR 85 Cb 0.55 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2yqe h TYR 85 CO -0.64 0.29 -0.19 -0.07 -1.64 0.00 0.00 178.16 175.91 2yqe h LEU 86 N 0.65 -0.46 -1.89 2.82 3.38 -0.20 -2.05 115.31 117.56 2yqe h LEU 86 Ca 0.43 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.50 2yqe h LEU 86 Cb 0.72 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2yqe h LEU 86 CO -0.18 -0.08 0.46 0.44 0.09 0.00 0.00 178.44 179.18 2yqe h ASP 87 N -1.04 0.00 0.00 -0.43 3.32 -0.58 -1.47 116.42 116.22 2yqe h ASP 87 Ca -0.06 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2yqe h ASP 87 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2yqe h ASP 87 CO 0.09 0.00 -0.00 1.56 -1.72 0.00 0.00 179.24 179.17 2yqe h GLN 88 N 0.00 -0.00 -1.24 3.56 1.08 -0.94 -1.91 115.11 115.67 2yqe h GLN 88 Ca 0.15 0.00 0.39 0.00 -1.45 0.00 0.00 58.65 57.74 2yqe h GLN 88 Cb 1.08 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.39 2yqe h GLN 88 CO -0.00 -0.00 0.79 0.97 -0.95 0.00 0.00 178.83 179.64 2yqe h ILE 89 N -0.00 0.23 -0.07 2.54 2.10 -1.10 0.43 117.51 121.64 2yqe h ILE 89 Ca -0.00 -0.06 -0.12 0.00 1.08 0.00 0.00 64.86 65.76 2yqe h ILE 89 Cb 0.00 0.05 0.01 0.00 -1.09 0.00 0.00 36.82 35.79 2yqe h ILE 89 CO 0.00 0.03 -0.43 0.00 -1.08 0.00 0.00 178.15 176.67 2yqe h ALA 90 N 1.61 0.15 -0.43 0.18 0.00 -1.40 -2.61 119.26 116.76 2yqe h ALA 90 Ca 0.76 -0.49 0.12 0.00 0.00 0.00 0.00 54.91 55.30 2yqe h ALA 90 Cb 2.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 2yqe h ALA 90 CO -0.39 0.28 0.36 -0.22 0.00 0.00 0.00 179.25 179.29 2yqe h LYS 91 N -0.05 0.00 0.00 0.00 1.63 0.68 0.17 116.57 119.00 2yqe h LYS 91 Ca -0.03 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.51 2yqe h LYS 91 Cb 1.09 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.68 2yqe h LYS 91 CO 0.09 0.00 -1.39 0.35 -3.45 0.00 0.00 179.45 175.04 2yqe h PHE 92 N 0.00 0.00 0.22 1.91 3.57 -1.32 -3.34 116.94 117.98 2yqe h PHE 92 Ca 0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2yqe h PHE 92 Cb 0.93 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.67 2yqe h PHE 92 CO 0.00 1.00 -0.10 -1.49 -2.23 0.00 0.00 178.31 175.48 2yqe h TRP 93 N 0.00 -0.27 -1.68 0.41 -0.00 -0.39 -3.02 115.95 111.01 2yqe h TRP 93 Ca -0.16 -0.01 0.49 0.00 -0.00 0.00 0.00 58.89 59.21 2yqe h TRP 93 Cb 1.90 0.09 -0.07 0.00 -0.00 0.00 0.00 29.16 31.09 2yqe h TRP 93 CO 0.00 -0.11 1.25 1.05 -0.00 0.00 0.00 178.44 180.63 2yqe h GLU 94 N -1.06 0.00 -0.00 0.49 4.11 -0.65 0.64 114.58 118.10 2yqe h GLU 94 Ca -0.03 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 2yqe h GLU 94 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2yqe h GLU 94 CO 0.05 0.00 -0.25 0.82 0.07 0.00 0.00 179.01 179.70 2yqe h ILE 95 N 0.00 1.54 -0.86 -1.06 2.04 -1.68 -3.29 117.51 114.21 2yqe h ILE 95 Ca 0.80 -1.94 0.15 0.00 1.00 0.00 0.00 64.86 64.87 2yqe h ILE 95 Cb 3.28 2.76 -0.10 0.00 -0.74 0.00 0.00 36.82 42.02 2yqe h ILE 95 CO -0.01 0.53 0.45 1.56 0.00 0.00 0.00 178.15 180.68 2yqe h GLN 96 N -0.50 0.60 0.00 2.37 1.08 0.41 -3.46 115.11 115.62 2yqe h GLN 96 Ca -0.03 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2yqe h GLN 96 Cb 1.00 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 2yqe h GLN 96 CO 0.05 0.40 0.00 0.41 -0.95 0.00 0.00 178.83 178.74 2yqe n GLY 97 N -1.33 2.74 3.90 3.46 0.00 -0.92 -5.13 105.19 107.93 2yqe n GLY 97 Ca 0.18 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 2yqe n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqe s SER 98 N 0.00 6.08 0.90 1.61 0.01 -1.25 -4.94 113.70 116.12 2yqe s SER 98 Ca 0.00 0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.20 2yqe s SER 98 Cb 0.00 -1.76 0.18 0.00 0.21 0.00 0.00 66.02 64.66 2yqe s SER 98 CO 0.00 0.03 1.24 -0.55 0.41 0.00 0.00 173.24 174.37 2yqe s SER 99 N -3.34 3.43 -0.03 2.44 0.15 -1.26 -2.76 113.70 112.34 2yqe s SER 99 Ca 0.33 0.09 -0.14 0.00 0.70 0.00 0.00 55.95 56.93 2yqe s SER 99 Cb -0.10 -0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 63.94 2yqe s SER 99 CO 0.27 -2.51 0.39 -0.22 1.20 0.00 0.00 173.24 172.37 2yqe s LEU 100 N -5.69 4.44 -0.05 3.45 2.96 -1.26 -4.84 118.68 117.69 2yqe s LEU 100 Ca 0.72 0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 55.51 2yqe s LEU 100 Cb -0.04 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 44.13 2yqe s LEU 100 CO 0.51 0.29 0.02 -0.54 -1.32 0.00 0.00 176.35 175.31 2yqe s LYS 101 N -0.84 0.31 -0.22 1.98 1.02 -1.26 -5.12 119.74 115.60 2yqe s LYS 101 Ca 0.23 0.17 -0.14 0.00 0.02 0.00 0.00 55.97 56.25 2yqe s LYS 101 Cb -0.16 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 2yqe s LYS 101 CO 0.12 -0.25 0.32 0.42 -0.92 0.00 0.00 175.35 175.05 2yqe s ILE 102 N 1.68 5.24 0.59 2.17 -1.09 -1.26 -5.07 121.20 123.46 2yqe s ILE 102 Ca -0.00 0.53 -0.18 0.00 -2.23 0.00 0.00 60.65 58.77 2yqe s ILE 102 Cb -0.13 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 2yqe s ILE 102 CO -0.03 0.26 1.12 -2.16 -1.23 0.00 0.00 174.94 172.90 2yqe s PRO 103 N 1.37 3.13 -0.38 2.79 0.04 -1.26 -4.95 135.00 135.75 2yqe s PRO 103 Ca 0.15 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 2yqe s PRO 103 Cb -0.15 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2yqe s PRO 103 CO 0.07 -1.01 0.24 -0.80 0.04 0.00 0.00 177.00 175.55 2yqe s ASN 104 N -2.10 5.92 -0.10 6.66 -0.87 -1.26 -3.42 114.94 119.77 2yqe s ASN 104 Ca 0.70 -0.83 -0.01 0.00 -1.57 0.00 0.00 52.86 51.16 2yqe s ASN 104 Cb -0.23 -2.09 -0.03 0.00 -0.02 0.00 0.00 41.25 38.88 2yqe s ASN 104 CO 0.33 -0.37 -0.04 -0.69 -2.57 0.00 0.00 177.10 173.76 2yqe s VAL 105 N 1.64 3.98 -1.27 1.60 1.01 0.43 -4.63 120.40 123.16 2yqe s VAL 105 Ca 0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 2yqe s VAL 105 Cb -0.19 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 2yqe s VAL 105 CO 0.09 0.58 0.63 -0.62 0.00 0.00 0.00 175.10 175.77 2yqe n GLU 106 N 2.51 -2.71 -3.91 2.72 -0.58 -1.26 -0.72 120.64 116.69 2yqe n GLU 106 Ca -0.18 0.47 -0.31 0.00 -0.42 0.00 0.00 57.16 56.72 2yqe n GLU 106 Cb 0.53 -4.49 -0.04 0.00 -0.57 0.00 0.00 31.44 26.88 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 -4.28 -2.21 -3.94 3.49 1.85 -1.26 -4.87 116.66 105.44 2yqe n ARG 107 Ca -0.22 0.24 -0.08 0.00 -1.00 0.00 0.00 57.85 56.80 2yqe n ARG 107 Cb 0.64 -4.88 -0.04 0.00 -1.05 0.00 0.00 32.46 27.14 2yqe n ARG 107 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2yqe s LYS 108 N -6.57 1.65 0.36 2.89 1.02 0.11 -5.16 119.74 114.04 2yqe s LYS 108 Ca 0.60 -1.13 -0.26 0.00 0.02 0.00 0.00 55.97 55.19 2yqe s LYS 108 Cb -0.34 0.53 -0.09 0.00 -0.52 0.00 0.00 37.83 37.41 2yqe s LYS 108 CO 0.73 -0.72 1.06 -1.50 -0.92 0.00 0.00 175.35 174.01 2yqe s ILE 109 N -3.97 3.65 -0.27 2.17 2.07 -1.26 -0.43 121.20 123.16 2yqe s ILE 109 Ca 0.17 1.39 -0.20 0.00 -1.41 0.00 0.00 60.65 60.60 2yqe s ILE 109 Cb -0.03 -3.78 -0.02 0.00 0.13 0.00 0.00 42.46 38.76 2yqe s ILE 109 CO 0.08 0.13 0.63 -0.22 -1.91 0.00 0.00 174.94 173.65 2yqe s LEU 110 N -2.23 4.08 -1.01 8.50 0.20 -1.22 -4.75 118.68 122.25 2yqe s LEU 110 Ca 0.53 0.63 -0.20 0.00 0.69 0.00 0.00 54.13 55.78 2yqe s LEU 110 Cb -0.25 -2.84 -0.09 0.00 -0.43 0.00 0.00 46.19 42.57 2yqe s LEU 110 CO 0.32 -0.40 2.00 -0.67 -0.29 0.00 0.00 176.35 177.31 2yqe n ASP 111 N 5.76 3.02 0.31 3.68 -0.08 -1.26 -4.68 116.55 123.30 2yqe n ASP 111 Ca -0.01 -2.73 0.18 0.00 -1.51 0.00 0.00 54.79 50.72 2yqe n ASP 111 Cb 0.49 -1.34 0.96 0.00 2.34 0.00 0.00 41.12 43.57 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 13.12 0.00 0.31 -2.67 -0.00 -1.99 -2.56 115.31 121.52 2yqe h LEU 112 Ca 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.31 2yqe h LEU 112 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2yqe h LEU 112 CO 1.86 0.00 -0.15 0.22 -0.00 0.00 0.00 178.44 180.37 2yqe h TYR 113 N 0.00 -0.39 -0.04 0.17 3.20 -1.92 -3.23 116.97 114.76 2yqe h TYR 113 Ca 0.02 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 2yqe h TYR 113 Cb 0.42 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 2yqe h TYR 113 CO 0.00 -0.24 -0.49 1.03 -1.64 0.00 0.00 178.16 176.81 2yqe h SER 114 N -0.85 -1.53 -0.18 -2.11 0.87 -1.88 -2.23 113.55 105.63 2yqe h SER 114 Ca -0.04 0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.71 2yqe h SER 114 Cb 0.32 0.59 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 2yqe h SER 114 CO 0.07 -0.49 -0.11 -0.11 -0.53 0.00 0.00 176.83 175.66 2yqe n LEU 115 N -5.45 -0.19 -0.15 2.23 7.94 -1.02 -0.01 117.00 120.34 2yqe n LEU 115 Ca -0.06 0.87 -0.05 0.00 -1.11 0.00 0.00 56.01 55.66 2yqe n LEU 115 Cb 0.39 -0.32 0.01 0.00 0.53 0.00 0.00 43.42 44.03 2yqe n LEU 115 CO 0.12 -0.54 0.68 0.77 -1.11 0.00 0.00 177.39 177.31 2yqe h SER 116 N 0.00 -0.90 -0.47 1.96 4.64 -1.52 -0.54 113.55 116.71 2yqe h SER 116 Ca 0.03 0.19 0.10 0.00 -0.47 0.00 0.00 61.79 61.63 2yqe h SER 116 Cb 0.08 0.46 -0.10 0.00 -0.31 0.00 0.00 62.40 62.53 2yqe h SER 116 CO -0.17 -0.28 -0.25 0.11 -0.87 0.00 0.00 176.83 175.37 2yqe h LYS 117 N -0.16 -0.14 -0.82 4.77 1.79 0.18 0.25 116.57 122.45 2yqe h LYS 117 Ca 0.22 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.74 2yqe h LYS 117 Cb 0.50 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.13 2yqe h LYS 117 CO -0.57 -0.09 0.51 0.82 -1.08 0.00 0.00 179.45 179.03 2yqe h ILE 118 N -0.14 1.07 -0.86 1.86 2.04 0.49 -0.57 117.51 121.40 2yqe h ILE 118 Ca 0.22 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.76 2yqe h ILE 118 Cb 0.49 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 2yqe h ILE 118 CO -0.56 0.17 0.57 0.58 0.00 0.00 0.00 178.15 178.91 2yqe h VAL 119 N 0.96 1.21 0.35 1.67 2.07 0.48 0.30 116.25 123.28 2yqe h VAL 119 Ca 0.34 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2yqe h VAL 119 Cb 0.10 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2yqe h VAL 119 CO -0.15 0.21 -0.17 0.40 0.02 0.00 0.00 177.57 177.88 2yqe h ILE 120 N 1.15 0.30 -0.21 4.57 2.04 -0.22 0.14 117.51 125.27 2yqe h ILE 120 Ca 0.32 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.49 2yqe h ILE 120 Cb -0.11 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2yqe h ILE 120 CO -0.07 0.07 -0.01 1.05 0.00 0.00 0.00 178.15 179.19 2yqe h GLU 121 N -1.04 0.06 -1.11 2.37 4.11 -1.08 -1.23 114.58 116.66 2yqe h GLU 121 Ca -0.05 -0.00 0.30 0.00 0.07 0.00 0.00 59.36 59.68 2yqe h GLU 121 Cb 0.48 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.63 2yqe h GLU 121 CO 0.08 0.04 0.73 0.93 0.07 0.00 0.00 179.01 180.86 2yqe h GLU 122 N 0.06 0.27 0.00 1.06 4.39 -0.51 -3.43 114.58 116.41 2yqe h GLU 122 Ca 0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2yqe h GLU 122 Cb 0.13 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2yqe h GLU 122 CO -0.18 0.18 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2yqe n GLY 123 N -1.54 0.04 0.49 -3.84 0.00 -0.57 -4.87 105.19 94.91 2yqe n GLY 123 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.24 0.14 -0.02 0.00 0.49 -3.83 105.19 99.74 2yqe n GLY 124 Ca 0.00 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.08 0.54 -0.39 1.61 5.03 -1.92 -3.26 116.97 118.50 2yqe h TYR 125 Ca 0.00 -0.39 -0.00 0.00 2.58 0.00 0.00 58.73 60.91 2yqe h TYR 125 Cb 0.08 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 2yqe h TYR 125 CO 0.00 1.76 0.24 0.93 -1.32 0.00 0.00 178.16 179.77 2yqe h GLU 126 N 0.07 0.54 0.00 1.82 5.08 -1.93 -1.56 114.58 118.60 2yqe h GLU 126 Ca -0.40 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2yqe h GLU 126 Cb 2.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2yqe h GLU 126 CO 0.11 0.40 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 2yqe n ALA 127 N -2.23 -0.39 -0.44 3.43 0.00 -1.25 -1.69 120.51 117.95 2yqe n ALA 127 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.81 2yqe n ALA 127 Cb 0.06 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.15 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 0.11 -0.58 0.00 -0.00 -1.64 1.16 117.51 116.57 2yqe h ILE 128 Ca 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 64.86 64.75 2yqe h ILE 128 Cb 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 36.82 36.82 2yqe h ILE 128 CO 0.00 0.02 0.04 0.00 -0.00 0.00 0.00 178.15 178.20 2yqe h LYS 130 N 0.89 0.00 -0.56 0.00 3.64 0.23 -2.43 116.57 118.32 2yqe h LYS 130 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2yqe h LYS 130 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2yqe h LYS 130 CO 0.02 0.28 0.00 -3.47 -2.27 0.00 0.00 179.45 174.01 2yqe n ASP 131 N -3.66 5.53 -3.99 4.20 -0.08 -0.62 -4.95 116.55 112.98 2yqe n ASP 131 Ca -0.01 -2.89 -0.31 0.00 -1.51 0.00 0.00 54.79 50.07 2yqe n ASP 131 Cb 0.40 -0.67 -0.04 0.00 2.34 0.00 0.00 41.12 43.15 2yqe n ASP 131 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yqe n ARG 132 N 0.60 -0.68 0.12 -0.67 5.12 -0.75 -4.80 116.66 115.61 2yqe n ARG 132 Ca 0.27 0.01 0.02 0.00 -1.93 0.00 0.00 57.85 56.22 2yqe n ARG 132 Cb 1.15 -2.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 2yqe n ARG 132 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2yqe h ARG 133 N -1.39 0.00 -0.70 5.56 2.47 -1.28 -3.34 114.38 115.69 2yqe h ARG 133 Ca -0.55 0.00 0.29 0.00 -1.26 0.00 0.00 59.98 58.46 2yqe h ARG 133 Cb 1.13 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.33 2yqe h ARG 133 CO 0.50 0.47 0.38 0.91 0.56 0.00 0.00 179.97 182.79 2yqe n TRP 134 N -3.17 0.82 0.52 3.04 5.03 -1.26 0.66 117.44 123.08 2yqe n TRP 134 Ca 0.00 0.83 -0.20 0.00 3.03 0.00 0.00 57.50 61.16 2yqe n TRP 134 Cb 0.76 -1.26 -0.10 0.00 -1.03 0.00 0.00 31.31 29.68 2yqe n TRP 134 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2yqe h ALA 135 N 1.40 -1.31 0.03 6.99 0.00 -1.92 -2.24 119.26 122.22 2yqe h ALA 135 Ca 0.59 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2yqe h ALA 135 Cb 1.57 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2yqe h ALA 135 CO -0.54 -1.22 -0.02 0.00 0.00 0.00 0.00 179.25 177.47 2yqe h ARG 136 N -1.34 -0.04 -0.88 0.00 2.47 -0.03 -2.39 114.38 112.17 2yqe h ARG 136 Ca -0.13 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 58.81 2yqe h ARG 136 Cb 1.01 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 29.18 2yqe h ARG 136 CO 0.22 0.08 0.04 0.28 0.56 0.00 0.00 179.97 181.15 2yqe h VAL 137 N -0.16 0.19 -0.14 2.04 2.07 -0.72 0.17 116.25 119.71 2yqe h VAL 137 Ca -0.00 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2yqe h VAL 137 Cb 0.14 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2yqe h VAL 137 CO 0.01 0.01 0.01 0.00 0.02 0.00 0.00 177.57 177.62 2yqe h ALA 138 N 1.84 0.18 -0.63 1.67 0.00 -1.21 -2.87 119.26 118.24 2yqe h ALA 138 Ca 0.51 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.37 2yqe h ALA 138 Cb 0.99 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2yqe h ALA 138 CO -0.78 -0.13 0.43 1.96 0.00 0.00 0.00 179.25 180.72 2yqe h GLN 139 N -0.01 0.30 -0.22 0.00 1.08 -0.26 0.58 115.11 116.57 2yqe h GLN 139 Ca 0.04 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2yqe h GLN 139 Cb 0.34 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2yqe h GLN 139 CO 0.01 0.20 0.15 0.00 -0.95 0.00 0.00 178.83 178.23 2yqe h ARG 140 N 0.31 0.27 -0.38 1.46 -0.00 -0.70 0.33 114.38 115.68 2yqe h ARG 140 Ca 0.30 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.77 2yqe h ARG 140 Cb 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.67 2yqe h ARG 140 CO -0.07 0.18 0.00 -0.11 0.00 0.00 0.00 179.97 179.96 2yqe n LEU 141 N -4.50 0.46 -2.82 3.04 7.94 0.19 -4.85 117.00 116.46 2yqe n LEU 141 Ca 0.00 -0.23 -0.13 0.00 -1.11 0.00 0.00 56.01 54.55 2yqe n LEU 141 Cb 0.09 -0.19 0.07 0.00 0.53 0.00 0.00 43.42 43.91 2yqe n LEU 141 CO 0.35 0.11 0.07 1.41 -1.11 0.00 0.00 177.39 178.22 2yqe n HIS 142 N -0.28 -1.67 -3.50 1.96 8.25 0.11 -5.02 115.22 115.06 2yqe n HIS 142 Ca 0.00 0.70 -0.26 0.00 -0.26 0.00 0.00 57.72 57.90 2yqe n HIS 142 Cb 0.11 -4.24 -0.02 0.00 1.12 0.00 0.00 29.99 26.96 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 -3.27 3.49 -0.05 4.41 2.02 -1.23 -5.05 117.35 117.67 2yqe s TYR 143 Ca 0.05 0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 56.85 2yqe s TYR 143 Cb -0.01 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 2yqe s TYR 143 CO 0.55 0.23 1.48 -1.25 -1.57 0.00 0.00 175.55 175.00 2yqe s PRO 144 N -3.77 4.23 -0.14 -1.71 0.04 -1.26 -4.83 135.00 127.56 2yqe s PRO 144 Ca 0.40 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 2yqe s PRO 144 Cb -0.10 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 2yqe s PRO 144 CO 0.32 -0.71 1.55 -1.25 0.04 0.00 0.00 177.00 176.94 2yqe s PRO 145 N 3.24 4.07 0.00 0.56 0.04 -1.26 -3.87 135.00 137.78 2yqe s PRO 145 Ca 0.66 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2yqe s PRO 145 Cb -0.31 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2yqe s PRO 145 CO 0.26 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.75 2yqe n GLY 146 N 4.18 2.37 3.57 0.56 0.00 -1.26 -5.10 105.19 109.51 2yqe n GLY 146 Ca 0.17 -0.56 -0.48 0.00 0.00 0.00 0.00 46.02 45.15 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 1.11 -1.41 1.61 3.00 -1.25 -4.73 118.16 116.48 2yqe n LYS 147 Ca 0.00 0.39 -0.32 0.00 -0.00 0.00 0.00 58.31 58.38 2yqe n LYS 147 Cb 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 35.03 33.10 2yqe n LYS 147 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2yqe n ASN 148 N 1.87 2.13 -0.09 3.14 4.13 -1.26 -4.56 115.26 120.62 2yqe n ASN 148 Ca 0.14 -2.61 -0.18 0.00 1.68 0.00 0.00 54.58 53.62 2yqe n ASN 148 Cb 0.25 -1.33 -0.11 0.00 -1.54 0.00 0.00 39.78 37.06 2yqe n ASN 148 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2yqe h ILE 149 N 5.61 1.04 -0.86 2.41 2.04 -1.92 -3.32 117.51 122.51 2yqe h ILE 149 Ca 0.23 -2.09 0.22 0.00 1.00 0.00 0.00 64.86 64.22 2yqe h ILE 149 Cb 0.83 2.27 -0.16 0.00 -0.74 0.00 0.00 36.82 39.02 2yqe h ILE 149 CO 1.53 0.35 -0.06 0.61 0.00 0.00 0.00 178.15 180.59 2yqe n GLY 150 N 1.51 -1.25 0.14 5.37 0.00 -1.26 0.14 105.19 109.84 2yqe n GLY 150 Ca -0.23 0.86 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.22 -0.52 1.61 0.87 -1.95 -2.29 113.55 111.05 2yqe h SER 151 Ca 0.48 -0.14 0.10 0.00 -1.23 0.00 0.00 61.79 61.00 2yqe h SER 151 Cb 0.93 0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 62.84 2yqe h SER 151 CO -0.83 0.01 -0.29 0.25 -0.53 0.00 0.00 176.83 175.44 2yqe h LEU 152 N -0.46 -0.99 0.27 2.23 6.46 -0.40 -1.00 115.31 121.41 2yqe h LEU 152 Ca -0.03 0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2yqe h LEU 152 Cb 0.35 0.50 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 2yqe h LEU 152 CO 0.04 -0.29 -0.22 -0.07 -0.62 0.00 0.00 178.44 177.29 2yqe h LEU 153 N -0.16 -0.58 -1.68 2.25 3.38 -1.20 -1.21 115.31 116.11 2yqe h LEU 153 Ca 0.22 0.04 0.51 0.00 0.09 0.00 0.00 57.88 58.75 2yqe h LEU 153 Cb 0.52 0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 2yqe h LEU 153 CO -0.61 -0.30 1.12 -0.09 0.09 0.00 0.00 178.44 178.65 2yqe h ARG 154 N -0.47 0.01 0.11 1.13 2.43 -1.08 0.54 114.38 117.05 2yqe h ARG 154 Ca -0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2yqe h ARG 154 Cb 0.40 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2yqe h ARG 154 CO -0.00 0.01 -0.05 1.03 -1.51 0.00 0.00 179.97 179.45 2yqe h SER 155 N 0.01 -0.12 -0.13 -3.80 0.87 -0.45 -0.71 113.55 109.22 2yqe h SER 155 Ca 0.89 -0.44 -0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2yqe h SER 155 Cb 3.21 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 65.19 2yqe h SER 155 CO -0.25 0.43 0.07 0.45 -0.53 0.00 0.00 176.83 177.01 2yqe h HIS 156 N -0.74 0.19 0.01 2.24 3.86 0.11 0.59 115.15 121.41 2yqe h HIS 156 Ca -0.01 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.99 2yqe h HIS 156 Cb 0.55 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 2yqe h HIS 156 CO 0.10 0.14 -0.99 -0.92 0.86 0.00 0.00 177.93 177.12 2yqe h TYR 157 N 0.20 0.05 -0.00 2.45 5.03 -0.84 0.31 116.97 124.17 2yqe h TYR 157 Ca 0.05 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2yqe h TYR 157 Cb 0.02 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.30 2yqe h TYR 157 CO 0.00 0.99 -0.55 0.39 -1.32 0.00 0.00 178.16 177.68 2yqe n GLU 158 N -3.41 0.01 -0.08 1.82 -0.58 -0.28 0.68 120.64 118.80 2yqe n GLU 158 Ca -0.01 -0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.57 2yqe n GLU 158 Cb 0.92 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 30.22 2yqe n GLU 158 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2yqe n ARG 159 N -1.49 0.38 -0.11 3.49 0.63 0.20 -4.29 116.66 115.47 2yqe n ARG 159 Ca 0.05 0.13 -0.20 0.00 -0.92 0.00 0.00 57.85 56.92 2yqe n ARG 159 Cb 0.33 -1.21 -0.07 0.00 0.45 0.00 0.00 32.46 31.96 2yqe n ARG 159 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2yqe n ILE 160 N -3.44 1.51 1.06 5.15 5.41 0.10 -4.36 119.36 124.79 2yqe n ILE 160 Ca -0.32 -0.12 0.11 0.00 1.00 0.00 0.00 62.75 63.42 2yqe n ILE 160 Cb 0.77 -2.09 0.57 0.00 -0.71 0.00 0.00 39.64 38.18 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 -4.38 0.29 0.22 1.39 5.41 -0.81 -3.06 119.36 118.42 2yqe n ILE 161 Ca -0.35 0.07 -0.10 0.00 1.00 0.00 0.00 62.75 63.38 2yqe n ILE 161 Cb 0.69 -0.69 -0.05 0.00 -0.71 0.00 0.00 39.64 38.87 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 -0.59 -0.25 1.39 3.20 0.07 -2.39 116.97 118.40 2yqe h TYR 162 Ca 0.00 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 2yqe h TYR 162 Cb 0.23 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2yqe h TYR 162 CO 0.00 -0.35 -0.42 -1.00 -1.64 0.00 0.00 178.16 174.75 2yqe h PRO 163 N -1.16 0.60 -0.41 1.82 0.13 -1.77 -2.17 132.00 129.05 2yqe h PRO 163 Ca -0.06 -0.32 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 2yqe h PRO 163 Cb 0.50 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 2yqe h PRO 163 CO 0.11 0.91 -0.01 -0.92 -0.23 0.00 0.00 178.00 177.86 2yqe h TYR 164 N 0.49 0.69 0.22 1.56 3.20 -1.66 -1.53 116.97 119.95 2yqe h TYR 164 Ca 0.04 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2yqe h TYR 164 Cb 0.93 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.01 2yqe h TYR 164 CO 0.04 0.67 -0.11 0.93 -1.64 0.00 0.00 178.16 178.05 2yqe h GLU 165 N 0.62 -0.29 -0.99 1.82 4.39 -1.34 -2.18 114.58 116.62 2yqe h GLU 165 Ca 0.13 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.10 2yqe h GLU 165 Cb 0.41 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.00 2yqe h GLU 165 CO 0.02 -0.19 0.57 0.00 -1.16 0.00 0.00 179.01 178.25 2yqe h MET 166 N -0.97 0.52 0.28 2.33 -0.00 -1.45 -1.28 114.93 114.36 2yqe h MET 166 Ca -0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 2yqe h MET 166 Cb 0.23 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.72 2yqe h MET 166 CO 0.05 0.34 -0.13 0.35 -0.00 0.00 0.00 176.91 177.52 2yqe h PHE 167 N 0.53 -0.35 0.00 -0.10 3.57 -1.37 -3.21 116.94 116.02 2yqe h PHE 167 Ca 0.65 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 62.01 2yqe h PHE 167 Cb 1.27 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 2yqe h PHE 167 CO -0.02 -0.01 -0.17 0.94 -2.23 0.00 0.00 178.31 176.82 2yqe n GLN 168 N -5.10 1.47 0.08 1.11 0.00 -0.49 -3.70 117.38 110.75 2yqe n GLN 168 Ca -0.09 -0.68 0.00 0.00 -0.00 0.00 0.00 57.00 56.23 2yqe n GLN 168 Cb 0.26 -1.79 0.00 0.00 0.00 0.00 0.00 30.24 28.71 2yqe n GLN 168 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2yqe n SER 169 N 2.47 0.63 0.00 1.69 2.88 -1.17 -4.93 113.62 115.19 2yqe n SER 169 Ca 0.29 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 2yqe n SER 169 Cb 0.68 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 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 2.78 2.75 0.85 0.46 0.00 -1.24 -5.16 105.19 105.64 2yqe n GLY 170 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2yqe n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32