#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqe n SER 73 N 0.00 -1.20 -4.81 1.61 3.41 -1.26 -4.90 113.62 106.48 2yqe n SER 73 Ca 0.00 -1.21 -0.32 0.00 -0.26 0.00 0.00 58.87 57.09 2yqe n SER 73 Cb 0.00 -1.54 -0.06 0.00 -0.26 0.00 0.00 64.21 62.35 2yqe n SER 73 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yqe s SER 74 N -3.41 5.76 0.00 4.04 0.15 -1.26 -5.06 113.70 113.92 2yqe s SER 74 Ca 0.64 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2yqe s SER 74 Cb -0.37 -1.64 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2yqe s SER 74 CO 0.98 0.22 0.00 0.61 1.20 0.00 0.00 173.24 176.25 2yqe n GLY 75 N 0.74 -0.73 4.40 9.45 0.00 -1.26 -5.01 105.19 112.78 2yqe n GLY 75 Ca -0.10 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 2yqe n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yqe n SER 76 N 0.00 -1.94 -4.10 1.61 7.64 -1.26 -4.92 113.62 110.66 2yqe n SER 76 Ca 0.00 -1.17 -0.23 0.00 1.01 0.00 0.00 58.87 58.48 2yqe n SER 76 Cb 0.00 -2.02 -0.15 0.00 -1.01 0.00 0.00 64.21 61.02 2yqe n SER 76 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yqe s SER 77 N -3.43 1.74 0.00 6.43 0.15 -1.26 -5.14 113.70 112.19 2yqe s SER 77 Ca 0.69 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2yqe s SER 77 Cb -0.39 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 2yqe s SER 77 CO 0.99 0.15 0.00 0.61 1.20 0.00 0.00 173.24 176.19 2yqe n GLY 78 N 2.97 3.87 3.55 9.45 0.00 -1.26 -5.08 105.19 118.68 2yqe n GLY 78 Ca -0.16 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 2yqe n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yqe s THR 79 N -2.05 3.52 -0.00 2.61 -4.23 -1.26 -4.71 115.64 109.52 2yqe s THR 79 Ca 0.00 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.62 2yqe s THR 79 Cb 0.00 -4.34 -0.02 0.00 1.34 0.00 0.00 72.50 69.48 2yqe s THR 79 CO 0.00 -1.29 -0.09 0.54 -0.54 0.00 0.00 174.62 173.24 2yqe n ARG 80 N 9.20 0.14 0.03 3.99 5.12 -1.26 -4.80 116.66 129.07 2yqe n ARG 80 Ca 0.18 0.06 -0.22 0.00 -1.93 0.00 0.00 57.85 55.93 2yqe n ARG 80 Cb 0.50 -0.73 -0.14 0.00 -1.16 0.00 0.00 32.46 30.93 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 -0.25 0.72 -1.21 1.55 2.07 -2.00 -3.29 116.25 113.85 2yqe h VAL 81 Ca -0.05 -2.40 0.35 0.00 0.82 0.00 0.00 66.70 65.42 2yqe h VAL 81 Cb 0.53 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 2yqe h VAL 81 CO -0.03 0.89 1.13 0.50 0.02 0.00 0.00 177.57 180.08 2yqe h LYS 82 N 0.08 0.00 0.03 1.57 3.64 -1.91 0.33 116.57 120.31 2yqe h LYS 82 Ca -0.40 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.69 2yqe h LYS 82 Cb 2.06 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.84 2yqe h LYS 82 CO 0.12 0.00 -1.62 1.28 -2.27 0.00 0.00 179.45 176.96 2yqe n LEU 83 N -3.57 2.11 -0.41 5.20 4.77 -1.26 -4.02 117.00 119.83 2yqe n LEU 83 Ca 0.27 0.34 0.33 0.00 -0.03 0.00 0.00 56.01 56.92 2yqe n LEU 83 Cb 1.51 -0.99 0.61 0.00 -2.33 0.00 0.00 43.42 42.21 2yqe n LEU 83 CO 0.31 0.48 1.20 -1.13 -1.33 0.00 0.00 177.39 176.92 2yqe h ASN 84 N -0.68 0.31 0.23 -1.43 -1.24 -0.43 1.62 115.58 113.95 2yqe h ASN 84 Ca -0.41 0.15 -0.15 0.00 0.71 0.00 0.00 56.30 56.61 2yqe h ASN 84 Cb 1.55 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.72 2yqe h ASN 84 CO -0.15 -0.18 -0.56 0.22 -1.29 0.00 0.00 177.43 175.48 2yqe h TYR 85 N 0.14 0.43 0.00 0.67 3.20 -1.59 -2.24 116.97 117.58 2yqe h TYR 85 Ca 0.79 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 62.50 2yqe h TYR 85 Cb 2.32 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 40.51 2yqe h TYR 85 CO -0.01 0.82 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.22 2yqe h LEU 86 N 0.26 0.00 -1.96 2.82 3.38 0.20 -2.83 115.31 117.19 2yqe h LEU 86 Ca 0.00 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.01 2yqe h LEU 86 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2yqe h LEU 86 CO 0.09 0.57 0.46 0.44 0.09 0.00 0.00 178.44 180.10 2yqe h ASP 87 N -1.00 0.00 0.04 -0.43 5.19 -0.39 -0.64 116.42 119.19 2yqe h ASP 87 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2yqe h ASP 87 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 2yqe h ASP 87 CO -0.00 0.00 -0.02 1.56 -3.12 0.00 0.00 179.24 177.66 2yqe h GLN 88 N 0.00 -0.05 -1.11 3.56 1.08 -1.50 -2.66 115.11 114.43 2yqe h GLN 88 Ca 0.20 0.00 0.31 0.00 -1.45 0.00 0.00 58.65 57.72 2yqe h GLN 88 Cb 1.13 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.47 2yqe h GLN 88 CO -0.00 -0.03 0.73 0.97 -0.95 0.00 0.00 178.83 179.54 2yqe h ILE 89 N -0.28 0.43 -0.12 2.54 2.10 -1.22 0.12 117.51 121.08 2yqe h ILE 89 Ca -0.00 -0.10 -0.03 0.00 1.08 0.00 0.00 64.86 65.81 2yqe h ILE 89 Cb 0.04 0.12 -0.00 0.00 -1.09 0.00 0.00 36.82 35.88 2yqe h ILE 89 CO 0.01 0.05 -0.04 0.00 -1.08 0.00 0.00 178.15 177.09 2yqe h ALA 90 N 1.59 0.16 -0.43 0.18 0.00 -1.24 -2.39 119.26 117.13 2yqe h ALA 90 Ca 0.64 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.44 2yqe h ALA 90 Cb 1.81 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 2yqe h ALA 90 CO -0.29 -0.08 0.44 -0.22 0.00 0.00 0.00 179.25 179.10 2yqe h LYS 91 N -0.10 0.00 0.00 0.00 3.64 -0.40 0.33 116.57 120.04 2yqe h LYS 91 Ca 0.03 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2yqe h LYS 91 Cb 0.47 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2yqe h LYS 91 CO 0.01 0.00 -0.15 0.35 -2.27 0.00 0.00 179.45 177.39 2yqe h PHE 92 N 0.00 0.00 0.47 1.91 3.57 -1.23 -3.32 116.94 118.34 2yqe h PHE 92 Ca 0.20 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2yqe h PHE 92 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2yqe h PHE 92 CO 0.00 0.98 -0.23 -1.49 -2.23 0.00 0.00 178.31 175.34 2yqe h TRP 93 N -1.00 -0.59 -1.86 0.41 4.06 -0.78 -2.73 115.95 113.47 2yqe h TRP 93 Ca -0.04 -0.01 0.54 0.00 2.06 0.00 0.00 58.89 61.43 2yqe h TRP 93 Cb 0.96 0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 29.24 2yqe h TRP 93 CO 0.23 -0.27 1.36 1.05 -3.56 0.00 0.00 178.44 177.25 2yqe h GLU 94 N -0.86 0.00 0.01 0.49 4.11 -0.59 0.63 114.58 118.37 2yqe h GLU 94 Ca -0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 2yqe h GLU 94 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2yqe h GLU 94 CO 0.11 0.00 -0.09 0.82 0.07 0.00 0.00 179.01 179.92 2yqe h ILE 95 N 0.00 1.70 -0.76 -1.06 2.04 -1.59 -3.32 117.51 114.52 2yqe h ILE 95 Ca 0.88 -2.17 0.16 0.00 1.00 0.00 0.00 64.86 64.72 2yqe h ILE 95 Cb 3.59 3.17 -0.10 0.00 -0.74 0.00 0.00 36.82 42.73 2yqe h ILE 95 CO -0.01 0.57 0.26 1.56 0.00 0.00 0.00 178.15 180.53 2yqe h GLN 96 N -0.84 0.36 0.00 2.37 1.08 0.54 -3.46 115.11 115.16 2yqe h GLN 96 Ca -0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2yqe h GLN 96 Cb 0.99 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2yqe h GLN 96 CO 0.02 0.24 0.00 0.41 -0.95 0.00 0.00 178.83 178.54 2yqe n GLY 97 N -1.34 3.90 3.57 3.46 0.00 -0.79 -5.09 105.19 108.90 2yqe n GLY 97 Ca 0.15 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 6.50 0.99 1.61 0.01 -1.26 -4.91 113.70 116.64 2yqe s SER 98 Ca 0.00 0.14 -0.15 0.00 1.31 0.00 0.00 55.95 57.25 2yqe s SER 98 Cb 0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.77 2yqe s SER 98 CO 0.00 -1.19 0.14 -1.20 0.41 0.00 0.00 173.24 171.39 2yqe n SER 99 N 7.57 -2.59 -4.47 2.44 7.64 -1.26 -4.39 113.62 118.56 2yqe n SER 99 Ca 0.07 0.21 -0.43 0.00 1.01 0.00 0.00 58.87 59.73 2yqe n SER 99 Cb 0.49 -1.09 -0.04 0.00 -1.01 0.00 0.00 64.21 62.56 2yqe n SER 99 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2yqe s LEU 100 N 0.08 4.19 -0.44 -3.43 2.96 -1.26 -4.93 118.68 115.86 2yqe s LEU 100 Ca 0.54 -0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 53.46 2yqe s LEU 100 Cb -0.18 -2.47 0.06 0.00 0.50 0.00 0.00 46.19 44.10 2yqe s LEU 100 CO 0.69 -1.48 0.32 -0.75 -1.32 0.00 0.00 176.35 173.81 2yqe s LYS 101 N 4.29 2.85 0.01 1.98 2.20 -1.26 -5.05 119.74 124.76 2yqe s LYS 101 Ca 0.25 -1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 54.24 2yqe s LYS 101 Cb -0.15 -3.97 -0.06 0.00 -1.51 0.00 0.00 37.83 32.14 2yqe s LYS 101 CO 0.12 -0.94 1.47 0.42 -0.36 0.00 0.00 175.35 176.06 2yqe s ILE 102 N 1.57 3.55 0.57 5.43 -1.09 -1.26 -4.99 121.20 124.98 2yqe s ILE 102 Ca 0.04 0.94 -0.18 0.00 -2.23 0.00 0.00 60.65 59.21 2yqe s ILE 102 Cb -0.23 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2yqe s ILE 102 CO 0.06 -0.01 1.12 -2.16 -1.23 0.00 0.00 174.94 172.72 2yqe s PRO 103 N 2.54 3.22 -0.39 2.79 0.04 -1.26 -4.94 135.00 136.99 2yqe s PRO 103 Ca 0.66 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 2yqe s PRO 103 Cb -0.33 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.23 2yqe s PRO 103 CO 0.28 -0.95 0.27 -0.80 0.04 0.00 0.00 177.00 175.84 2yqe s ASN 104 N -1.98 6.00 -0.04 6.66 -0.87 -1.26 -3.60 114.94 119.85 2yqe s ASN 104 Ca 0.71 -0.85 0.07 0.00 -1.57 0.00 0.00 52.86 51.22 2yqe s ASN 104 Cb -0.23 -2.12 -0.02 0.00 -0.02 0.00 0.00 41.25 38.86 2yqe s ASN 104 CO 0.31 -0.40 -0.24 -0.69 -2.57 0.00 0.00 177.10 173.51 2yqe s VAL 105 N 1.66 2.19 -1.14 1.60 1.01 -0.91 -4.75 120.40 120.06 2yqe s VAL 105 Ca 0.04 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 2yqe s VAL 105 Cb -0.19 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2yqe s VAL 105 CO 0.09 0.58 0.93 -0.62 0.00 0.00 0.00 175.10 176.07 2yqe n GLU 106 N 2.65 -4.22 -3.88 2.72 -0.58 -1.26 -2.38 120.64 113.69 2yqe n GLU 106 Ca -0.17 0.82 -0.31 0.00 -0.42 0.00 0.00 57.16 57.08 2yqe n GLU 106 Cb 0.52 -5.70 -0.07 0.00 -0.57 0.00 0.00 31.44 25.62 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 -3.74 -0.83 -3.57 3.49 1.85 -1.26 -4.83 116.66 107.77 2yqe n ARG 107 Ca -0.18 0.10 -0.11 0.00 -1.00 0.00 0.00 57.85 56.66 2yqe n ARG 107 Cb 0.64 -3.39 -0.05 0.00 -1.05 0.00 0.00 32.46 28.61 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 -6.02 0.64 0.48 2.89 2.20 -1.00 -5.15 119.74 113.77 2yqe s LYS 108 Ca 0.45 0.12 -0.24 0.00 -0.36 0.00 0.00 55.97 55.95 2yqe s LYS 108 Cb -0.26 0.30 -0.08 0.00 -1.51 0.00 0.00 37.83 36.28 2yqe s LYS 108 CO 0.79 -0.21 1.28 1.51 -0.36 0.00 0.00 175.35 178.36 2yqe n ILE 109 N 0.67 3.07 -3.51 5.43 3.06 -1.26 -2.15 119.36 124.67 2yqe n ILE 109 Ca -0.11 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.33 2yqe n ILE 109 Cb 0.58 -1.57 -0.05 0.00 0.54 0.00 0.00 39.64 39.14 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 -2.31 4.19 -0.23 9.51 0.20 -1.24 -4.82 118.68 123.99 2yqe s LEU 110 Ca 0.66 0.74 -0.06 0.00 0.69 0.00 0.00 54.13 56.15 2yqe s LEU 110 Cb -0.47 -3.49 -0.02 0.00 -0.43 0.00 0.00 46.19 41.78 2yqe s LEU 110 CO 0.54 -0.05 0.03 -0.62 -0.29 0.00 0.00 176.35 175.97 2yqe s ASP 111 N -2.56 4.91 -0.14 3.68 -1.08 -1.26 -4.96 116.67 115.26 2yqe s ASP 111 Ca 0.44 -0.23 0.18 0.00 -0.52 0.00 0.00 52.55 52.42 2yqe s ASP 111 Cb -0.11 -1.86 -0.25 0.00 -1.46 0.00 0.00 42.92 39.23 2yqe s ASP 111 CO 0.24 0.00 0.25 0.00 0.52 0.00 0.00 175.17 176.19 2yqe n LEU 112 N 4.66 0.15 0.28 -1.34 -0.00 -1.26 -4.02 117.00 115.46 2yqe n LEU 112 Ca -0.17 0.07 -0.11 0.00 -0.00 0.00 0.00 56.01 55.80 2yqe n LEU 112 Cb 0.51 0.36 -0.05 0.00 -0.00 0.00 0.00 43.42 44.24 2yqe n LEU 112 CO 0.31 0.38 0.34 0.22 -0.00 0.00 0.00 177.39 178.64 2yqe h TYR 113 N 0.00 -0.69 0.10 1.47 3.20 -1.93 -2.98 116.97 116.15 2yqe h TYR 113 Ca -0.41 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.46 2yqe h TYR 113 Cb 1.98 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 40.43 2yqe h TYR 113 CO 0.00 -0.43 -0.48 0.77 -1.64 0.00 0.00 178.16 176.38 2yqe h SER 114 N -1.04 -1.43 -0.62 -2.11 0.02 -1.96 -1.82 113.55 104.58 2yqe h SER 114 Ca -0.08 0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2yqe h SER 114 Cb 0.57 0.54 -0.07 0.00 0.14 0.00 0.00 62.40 63.57 2yqe h SER 114 CO 0.12 -0.52 -0.37 -0.11 -1.14 0.00 0.00 176.83 174.81 2yqe n LEU 115 N -5.48 -0.66 -0.08 5.07 7.94 -1.25 -0.19 117.00 122.35 2yqe n LEU 115 Ca -0.08 1.39 -0.07 0.00 -1.11 0.00 0.00 56.01 56.14 2yqe n LEU 115 Cb 0.40 -0.28 -0.01 0.00 0.53 0.00 0.00 43.42 44.06 2yqe n LEU 115 CO 0.17 -1.04 0.69 -1.28 -1.11 0.00 0.00 177.39 174.82 2yqe h SER 116 N 0.00 -0.82 -0.79 1.96 0.87 -1.34 -0.38 113.55 113.04 2yqe h SER 116 Ca 0.10 0.16 0.15 0.00 -1.23 0.00 0.00 61.79 60.97 2yqe h SER 116 Cb 0.26 0.40 -0.10 0.00 -0.44 0.00 0.00 62.40 62.52 2yqe h SER 116 CO -0.58 -0.28 0.34 0.11 -0.53 0.00 0.00 176.83 175.89 2yqe h LYS 117 N -0.22 0.47 -0.11 2.24 1.79 0.11 0.26 116.57 121.10 2yqe h LYS 117 Ca 0.16 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2yqe h LYS 117 Cb 0.47 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2yqe h LYS 117 CO -0.45 0.31 0.06 0.82 -1.08 0.00 0.00 179.45 179.10 2yqe h ILE 118 N 0.48 1.12 0.76 1.86 2.04 0.97 -1.58 117.51 123.16 2yqe h ILE 118 Ca 0.44 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 2yqe h ILE 118 Cb 0.68 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2yqe h ILE 118 CO -0.41 0.10 -0.45 0.58 0.00 0.00 0.00 178.15 177.98 2yqe h VAL 119 N 0.06 0.10 -0.74 1.67 2.07 -0.05 1.00 116.25 120.36 2yqe h VAL 119 Ca 0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.72 2yqe h VAL 119 Cb 0.12 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 29.88 2yqe h VAL 119 CO -0.01 0.00 0.19 0.40 0.02 0.00 0.00 177.57 178.18 2yqe h ILE 120 N -1.12 0.52 0.73 4.57 2.04 -1.01 -2.23 117.51 121.01 2yqe h ILE 120 Ca -0.10 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 2yqe h ILE 120 Cb 0.90 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2yqe h ILE 120 CO 0.11 0.05 -0.35 -0.33 0.00 0.00 0.00 178.15 177.63 2yqe h GLU 121 N 0.28 -0.94 -0.89 2.37 5.08 -1.06 -3.10 114.58 116.32 2yqe h GLU 121 Ca 0.42 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.98 2yqe h GLU 121 Cb 0.71 0.21 -0.14 0.00 0.50 0.00 0.00 28.75 30.03 2yqe h GLU 121 CO -0.50 -0.60 -0.35 0.39 -1.00 0.00 0.00 179.01 176.94 2yqe n GLU 122 N -5.46 -0.21 0.00 2.33 1.02 0.33 -4.64 120.64 114.01 2yqe n GLU 122 Ca -0.13 1.36 0.00 0.00 -0.02 0.00 0.00 57.16 58.37 2yqe n GLU 122 Cb 0.40 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 2yqe n GLU 122 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2yqe n GLY 123 N -1.41 0.00 2.26 0.62 0.00 -0.93 -4.98 105.19 100.75 2yqe n GLY 123 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.41 0.08 -0.02 0.00 -0.96 -4.12 105.19 97.77 2yqe n GLY 124 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 -0.94 1.61 5.03 -1.94 -3.25 116.97 117.48 2yqe h TYR 125 Ca 0.00 0.00 0.23 0.00 2.58 0.00 0.00 58.73 61.54 2yqe h TYR 125 Cb 0.00 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.21 2yqe h TYR 125 CO 0.00 0.49 0.63 0.93 -1.32 0.00 0.00 178.16 178.88 2yqe h GLU 126 N -1.00 0.35 0.00 1.82 5.08 -1.97 0.29 114.58 119.15 2yqe h GLU 126 Ca -0.11 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2yqe h GLU 126 Cb 0.72 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2yqe h GLU 126 CO -0.06 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 2yqe n ALA 127 N -2.53 -0.27 -0.20 3.43 0.00 -1.26 -1.34 120.51 118.34 2yqe n ALA 127 Ca 0.21 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.89 2yqe n ALA 127 Cb 0.78 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.86 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 0.61 -0.26 0.00 -0.00 -1.55 0.27 117.51 116.58 2yqe h ILE 128 Ca 0.00 -0.06 -0.14 0.00 -0.00 0.00 0.00 64.86 64.67 2yqe h ILE 128 Cb 0.00 0.43 -0.01 0.00 -0.00 0.00 0.00 36.82 37.24 2yqe h ILE 128 CO 0.00 0.03 -0.41 0.00 -0.00 0.00 0.00 178.15 177.77 2yqe h LYS 130 N 0.51 0.60 -0.92 0.00 3.64 0.79 -2.99 116.57 118.20 2yqe h LYS 130 Ca 0.04 -0.37 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 2yqe h LYS 130 Cb 0.93 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 2yqe h LYS 130 CO 0.08 0.99 0.07 -0.25 -2.27 0.00 0.00 179.45 178.06 2yqe n ASP 131 N -4.28 2.65 -3.47 4.20 9.92 -0.58 -4.85 116.55 120.14 2yqe n ASP 131 Ca -0.06 -2.33 -0.27 0.00 -0.53 0.00 0.00 54.79 51.60 2yqe n ASP 131 Cb 0.51 -0.57 -0.05 0.00 -0.64 0.00 0.00 41.12 40.37 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 0.13 -0.98 0.28 -1.24 1.74 -1.02 -4.69 116.66 110.88 2yqe n ARG 132 Ca 0.11 0.09 0.18 0.00 -0.77 0.00 0.00 57.85 57.46 2yqe n ARG 132 Cb 0.63 -3.34 0.85 0.00 -1.02 0.00 0.00 32.46 29.58 2yqe n ARG 132 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yqe h ARG 133 N -0.55 0.00 -0.99 5.56 2.47 -1.09 -3.18 114.38 116.60 2yqe h ARG 133 Ca -0.38 0.00 0.36 0.00 -1.26 0.00 0.00 59.98 58.70 2yqe h ARG 133 Cb 0.96 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.16 2yqe h ARG 133 CO 0.57 0.00 0.61 0.91 0.56 0.00 0.00 179.97 182.62 2yqe n TRP 134 N -2.95 0.66 0.33 3.04 5.03 -1.25 0.81 117.44 123.10 2yqe n TRP 134 Ca -0.01 0.66 -0.17 0.00 3.03 0.00 0.00 57.50 61.01 2yqe n TRP 134 Cb 0.20 -1.08 -0.09 0.00 -1.03 0.00 0.00 31.31 29.32 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 1.34 -0.91 -0.62 6.99 0.00 -1.93 -0.40 119.26 123.74 2yqe h ALA 135 Ca 0.68 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.42 2yqe h ALA 135 Cb 2.09 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 20.29 2yqe h ALA 135 CO -0.43 -1.03 0.41 -0.09 0.00 0.00 0.00 179.25 178.10 2yqe h ARG 136 N -0.89 0.81 -0.52 0.00 9.65 0.13 -1.96 114.38 121.60 2yqe h ARG 136 Ca -0.07 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.81 2yqe h ARG 136 Cb 0.73 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 2yqe h ARG 136 CO 0.07 0.54 0.35 0.28 2.80 0.00 0.00 179.97 184.01 2yqe h VAL 137 N 0.84 1.01 0.55 0.20 2.07 -1.14 -1.28 116.25 118.48 2yqe h VAL 137 Ca 0.23 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2yqe h VAL 137 Cb -0.09 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2yqe h VAL 137 CO -0.05 0.09 -0.26 0.00 0.02 0.00 0.00 177.57 177.37 2yqe h ALA 138 N 1.71 -0.73 -0.64 1.67 0.00 -0.32 -3.15 119.26 117.80 2yqe h ALA 138 Ca 0.22 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.12 2yqe h ALA 138 Cb 0.22 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2yqe h ALA 138 CO -0.06 -0.71 0.45 0.37 0.00 0.00 0.00 179.25 179.31 2yqe h GLN 139 N -1.14 0.10 -0.94 0.00 4.15 -1.25 -0.23 115.11 115.79 2yqe h GLN 139 Ca -0.07 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.48 2yqe h GLN 139 Cb 0.60 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.19 2yqe h GLN 139 CO 0.12 0.07 0.60 0.00 -1.93 0.00 0.00 178.83 177.69 2yqe h ARG 140 N 0.10 0.78 -0.90 1.69 2.47 -1.19 0.33 114.38 117.67 2yqe h ARG 140 Ca 0.31 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 2yqe h ARG 140 Cb 1.09 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.22 2yqe h ARG 140 CO -0.03 0.52 0.02 -0.11 0.56 0.00 0.00 179.97 180.92 2yqe n LEU 141 N -4.60 2.45 -2.94 3.04 7.94 -0.10 -4.83 117.00 117.95 2yqe n LEU 141 Ca 0.18 -1.24 -0.19 0.00 -1.11 0.00 0.00 56.01 53.65 2yqe n LEU 141 Cb 0.44 -0.55 0.06 0.00 0.53 0.00 0.00 43.42 43.90 2yqe n LEU 141 CO 0.28 0.38 0.19 1.41 -1.11 0.00 0.00 177.39 178.54 2yqe n HIS 142 N 0.16 -2.27 -3.20 1.96 8.25 0.12 -5.00 115.22 115.23 2yqe n HIS 142 Ca 0.08 0.80 -0.30 0.00 -0.26 0.00 0.00 57.72 58.04 2yqe n HIS 142 Cb 0.54 -4.20 -0.04 0.00 1.12 0.00 0.00 29.99 27.41 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 -3.25 3.45 -0.24 4.41 2.02 -1.19 -5.01 117.35 117.53 2yqe s TYR 143 Ca 0.45 0.86 -0.29 0.00 -0.37 0.00 0.00 57.07 57.72 2yqe s TYR 143 Cb -0.20 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.07 2yqe s TYR 143 CO 0.58 0.11 1.63 -1.25 -1.57 0.00 0.00 175.55 175.04 2yqe s PRO 144 N -3.41 3.73 -0.88 -1.71 0.04 -1.26 -4.53 135.00 126.98 2yqe s PRO 144 Ca 0.48 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 2yqe s PRO 144 Cb -0.11 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.33 2yqe s PRO 144 CO 0.27 -1.37 1.94 -1.25 0.04 0.00 0.00 177.00 176.63 2yqe s PRO 145 N 4.80 2.56 0.00 0.56 0.04 -1.26 -3.96 135.00 137.75 2yqe s PRO 145 Ca 0.72 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2yqe s PRO 145 Cb -0.24 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2yqe s PRO 145 CO 0.30 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 174.43 2yqe n GLY 146 N 6.75 -1.75 3.46 0.56 0.00 -1.26 -5.14 105.19 107.80 2yqe n GLY 146 Ca 0.38 0.60 -0.36 0.00 0.00 0.00 0.00 46.02 46.64 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 0.32 -1.94 1.61 4.01 -1.25 -4.73 118.16 116.17 2yqe n LYS 147 Ca 0.00 0.15 -0.24 0.00 -0.51 0.00 0.00 58.31 57.70 2yqe n LYS 147 Cb 0.00 -1.79 -0.07 0.00 -0.51 0.00 0.00 35.03 32.66 2yqe n LYS 147 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2yqe s ASN 148 N -1.41 4.61 -0.20 4.39 2.47 -1.26 -4.61 114.94 118.93 2yqe s ASN 148 Ca 0.65 -1.37 -0.16 0.00 0.42 0.00 0.00 52.86 52.40 2yqe s ASN 148 Cb -0.36 -2.59 -0.12 0.00 -1.45 0.00 0.00 41.25 36.73 2yqe s ASN 148 CO 0.58 -3.49 -0.06 -0.38 -3.72 0.00 0.00 177.10 170.02 2yqe n ILE 149 N 8.14 1.50 -0.28 -5.21 5.41 -1.26 -4.03 119.36 123.62 2yqe n ILE 149 Ca 0.44 -0.01 0.08 0.00 1.00 0.00 0.00 62.75 64.26 2yqe n ILE 149 Cb 0.47 -2.14 0.17 0.00 -0.71 0.00 0.00 39.64 37.42 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 1.45 -1.23 0.22 7.39 0.00 -1.26 0.24 105.19 111.99 2yqe n GLY 150 Ca -0.28 0.83 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.42 -0.62 1.61 0.87 -1.96 -2.41 113.55 110.63 2yqe h SER 151 Ca 0.43 -0.03 0.12 0.00 -1.23 0.00 0.00 61.79 61.08 2yqe h SER 151 Cb 0.76 0.11 -0.12 0.00 -0.44 0.00 0.00 62.40 62.71 2yqe h SER 151 CO -0.79 -0.24 -0.18 0.25 -0.53 0.00 0.00 176.83 175.34 2yqe h LEU 152 N -0.57 -0.67 0.21 2.23 6.46 -0.35 -2.04 115.31 120.59 2yqe h LEU 152 Ca -0.05 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2yqe h LEU 152 Cb 0.42 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 2yqe h LEU 152 CO 0.08 -0.23 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.40 2yqe h LEU 153 N -0.03 -0.58 -0.84 2.25 3.38 -1.13 -2.09 115.31 116.26 2yqe h LEU 153 Ca 0.29 0.05 0.26 0.00 0.09 0.00 0.00 57.88 58.57 2yqe h LEU 153 Cb 0.48 0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.26 2yqe h LEU 153 CO -0.65 -0.28 0.12 -1.14 0.09 0.00 0.00 178.44 176.58 2yqe n ARG 154 N -3.61 -0.06 0.24 1.13 0.63 -0.92 -0.71 116.66 113.37 2yqe n ARG 154 Ca -0.05 1.24 -0.10 0.00 -0.92 0.00 0.00 57.85 58.02 2yqe n ARG 154 Cb 0.19 -2.03 -0.05 0.00 0.45 0.00 0.00 32.46 31.02 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 -0.54 -0.98 6.15 0.87 -0.94 -2.49 113.55 115.62 2yqe h SER 155 Ca 0.56 0.02 0.22 0.00 -1.23 0.00 0.00 61.79 61.36 2yqe h SER 155 Cb 1.26 0.14 -0.19 0.00 -0.44 0.00 0.00 62.40 63.18 2yqe h SER 155 CO -0.76 -0.38 -0.18 1.41 -0.53 0.00 0.00 176.83 176.39 2yqe n HIS 156 N -3.71 0.42 0.05 2.24 8.25 0.11 0.42 115.22 123.00 2yqe n HIS 156 Ca -0.08 1.19 -0.04 0.00 -0.26 0.00 0.00 57.72 58.53 2yqe n HIS 156 Cb 0.25 -1.11 -0.02 0.00 1.12 0.00 0.00 29.99 30.22 2yqe n HIS 156 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2yqe h TYR 157 N 0.00 -0.36 0.00 4.41 5.03 -1.22 0.26 116.97 125.09 2yqe h TYR 157 Ca 0.50 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.82 2yqe h TYR 157 Cb 0.85 0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.27 2yqe h TYR 157 CO -0.69 -0.15 0.00 0.39 -1.32 0.00 0.00 178.16 176.39 2yqe n GLU 158 N -3.12 0.02 -0.08 1.82 -0.58 -0.46 0.91 120.64 119.15 2yqe n GLU 158 Ca -0.02 0.38 -0.12 0.00 -0.42 0.00 0.00 57.16 56.98 2yqe n GLU 158 Cb 0.11 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.40 2yqe n GLU 158 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2yqe h ARG 159 N 0.00 0.00 0.00 3.49 1.12 0.17 -3.38 114.38 115.77 2yqe h ARG 159 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.71 2yqe h ARG 159 Cb 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.98 2yqe h ARG 159 CO 0.00 0.62 -1.54 -0.89 -3.11 0.00 0.00 179.97 175.05 2yqe n ILE 160 N -4.59 0.54 0.17 1.20 5.41 0.76 -4.54 119.36 118.31 2yqe n ILE 160 Ca -0.14 -0.16 0.10 0.00 1.00 0.00 0.00 62.75 63.54 2yqe n ILE 160 Cb 0.41 -1.34 0.50 0.00 -0.71 0.00 0.00 39.64 38.51 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 1.13 0.03 1.39 5.41 0.26 -0.95 119.36 123.43 2yqe n ILE 161 Ca -0.18 0.65 -0.02 0.00 1.00 0.00 0.00 62.75 64.19 2yqe n ILE 161 Cb 0.65 -1.64 -0.01 0.00 -0.71 0.00 0.00 39.64 37.93 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 -0.13 0.00 1.39 3.20 -0.72 -2.85 116.97 117.86 2yqe h TYR 162 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2yqe h TYR 162 Cb 0.04 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2yqe h TYR 162 CO 0.00 -0.08 -0.17 -1.00 -1.64 0.00 0.00 178.16 175.27 2yqe h PRO 163 N -0.71 0.00 -0.04 1.82 0.13 -1.76 -2.12 132.00 129.32 2yqe h PRO 163 Ca -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 2yqe h PRO 163 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2yqe h PRO 163 CO 0.02 0.17 -0.29 -0.92 -0.23 0.00 0.00 178.00 176.75 2yqe h TYR 164 N 0.00 0.36 -0.03 1.56 3.20 -1.19 -1.54 116.97 119.34 2yqe h TYR 164 Ca -0.00 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.69 2yqe h TYR 164 Cb 0.62 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 2yqe h TYR 164 CO 0.00 0.93 -0.02 0.93 -1.64 0.00 0.00 178.16 178.36 2yqe h GLU 165 N -0.30 0.06 -0.76 1.82 4.39 -1.45 -2.39 114.58 115.95 2yqe h GLU 165 Ca -0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2yqe h GLU 165 Cb 0.98 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.59 2yqe h GLU 165 CO 0.06 0.50 0.43 0.00 -1.16 0.00 0.00 179.01 178.83 2yqe h MET 166 N -0.38 1.04 0.06 2.33 -0.00 -1.51 -1.62 114.93 114.86 2yqe h MET 166 Ca 0.01 -0.11 -0.00 0.00 -0.00 0.00 0.00 59.70 59.59 2yqe h MET 166 Cb 0.48 -0.21 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 2yqe h MET 166 CO 0.01 0.76 -0.03 0.35 -0.00 0.00 0.00 176.91 177.99 2yqe h PHE 167 N 1.05 -0.07 0.00 -0.10 3.04 -1.25 -2.00 116.94 117.60 2yqe h PHE 167 Ca 0.27 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 2yqe h PHE 167 Cb 0.01 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 2yqe h PHE 167 CO 0.01 0.05 -0.08 -0.56 -2.02 0.00 0.00 178.31 175.71 2yqe h GLN 168 N -0.18 0.00 0.42 1.11 3.07 -1.19 -3.09 115.11 115.25 2yqe h GLN 168 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 2yqe h GLN 168 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 2yqe h GLN 168 CO 0.01 0.08 -0.20 1.03 0.09 0.00 0.00 178.83 179.84 2yqe h SER 169 N 0.00 -0.48 0.00 0.06 0.87 -0.74 -3.50 113.55 109.76 2yqe h SER 169 Ca -0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2yqe h SER 169 Cb 0.26 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2yqe h SER 169 CO 0.01 -0.05 0.00 0.61 -0.53 0.00 0.00 176.83 176.87 2yqe n GLY 170 N 0.24 1.52 0.91 5.77 0.00 -0.80 -5.11 105.19 107.71 2yqe n GLY 170 Ca -0.08 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.50 2yqe n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32