#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oiz h VAL 72 N 0.00 1.01 -0.26 3.84 3.04 -2.01 -2.77 116.25 119.09 2oiz h VAL 72 Ca 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2oiz h VAL 72 Cb 0.00 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2oiz h VAL 72 CO 0.00 0.13 0.00 0.59 -1.01 0.00 0.00 177.57 177.28 2oiz n ASN 73 N -4.25 1.59 -4.84 3.17 3.02 -1.26 -4.86 115.26 107.83 2oiz n ASN 73 Ca -0.03 -1.91 -0.36 0.00 -0.03 0.00 0.00 54.58 52.25 2oiz n ASN 73 Cb 0.21 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 2oiz n ASN 73 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2oiz s SER 74 N -1.15 6.12 0.61 6.41 0.15 -1.04 -4.95 113.70 119.85 2oiz s SER 74 Ca 0.24 0.37 0.37 0.00 0.70 0.00 0.00 55.95 57.63 2oiz s SER 74 Cb 0.12 -1.92 2.03 0.00 -1.71 0.00 0.00 66.02 64.54 2oiz s SER 74 CO 0.17 0.38 2.27 0.00 1.20 0.00 0.00 173.24 177.26 2oiz n ASP 76 N -3.41 0.63 -4.77 0.00 8.00 -1.26 -4.76 116.55 110.98 2oiz n ASP 76 Ca -0.03 -0.93 -0.41 0.00 0.71 0.00 0.00 54.79 54.13 2oiz n ASP 76 Cb 0.11 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 2oiz n ASP 76 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2oiz s TYR 77 N -2.23 2.62 0.43 1.24 6.04 -0.80 -4.85 117.35 119.79 2oiz s TYR 77 Ca 0.36 1.05 0.10 0.00 0.04 0.00 0.00 57.07 58.63 2oiz s TYR 77 Cb 0.21 -4.04 0.94 0.00 -1.04 0.00 0.00 41.96 38.02 2oiz s TYR 77 CO 0.41 -3.19 2.03 0.11 -1.54 0.00 0.00 175.55 173.37 2oiz h TRP 78 N 3.51 0.28 0.00 4.97 5.08 -1.90 -1.07 115.95 126.82 2oiz h TRP 78 Ca -0.50 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.46 2oiz h TRP 78 Cb 1.23 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 2oiz h TRP 78 CO 0.55 0.26 0.00 2.89 -1.28 0.00 0.00 178.44 180.86 2oiz n ARG 79 N -4.41 0.04 -0.90 0.12 1.85 -1.26 -3.59 116.66 108.51 2oiz n ARG 79 Ca 0.00 0.18 -0.12 0.00 -1.00 0.00 0.00 57.85 56.91 2oiz n ARG 79 Cb 0.15 -1.56 0.19 0.00 -1.05 0.00 0.00 32.46 30.20 2oiz n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2oiz n HIS 80 N -1.62 2.20 0.56 2.89 8.25 -0.41 -4.64 115.22 122.45 2oiz n HIS 80 Ca 0.05 -1.28 0.11 0.00 -0.26 0.00 0.00 57.72 56.34 2oiz n HIS 80 Cb 0.25 -0.69 0.43 0.00 1.12 0.00 0.00 29.99 31.10 2oiz n HIS 80 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2oiz n ALA 82 N -1.63 3.17 -2.68 0.00 0.00 -1.26 -1.46 120.51 116.65 2oiz n ALA 82 Ca 0.04 -2.93 -0.42 0.00 0.00 0.00 0.00 53.44 50.13 2oiz n ALA 82 Cb 0.25 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 2oiz n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oiz s VAL 83 N -2.72 4.84 -0.37 0.00 1.01 -1.00 -4.85 120.40 117.31 2oiz s VAL 83 Ca 0.36 1.81 0.04 0.00 0.00 0.00 0.00 61.98 64.19 2oiz s VAL 83 Cb 0.37 -4.21 0.10 0.00 0.00 0.00 0.00 36.38 32.64 2oiz s VAL 83 CO -0.07 0.02 0.09 -0.62 0.00 0.00 0.00 175.10 174.52 2oiz s ASP 84 N 1.11 4.66 0.00 3.32 2.15 -1.26 -0.84 116.67 125.82 2oiz s ASP 84 Ca 0.43 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 51.13 2oiz s ASP 84 Cb -0.17 -1.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.85 2oiz s ASP 84 CO 0.15 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2oiz n GLY 85 N 4.08 -0.51 3.80 2.66 0.00 -0.44 -4.97 105.19 109.81 2oiz n GLY 85 Ca 0.04 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 2oiz n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oiz s PHE 86 N -2.95 3.49 -0.04 1.61 0.40 -1.26 -0.61 117.98 118.62 2oiz s PHE 86 Ca 0.00 0.42 -0.30 0.00 -0.60 0.00 0.00 56.93 56.45 2oiz s PHE 86 Cb 0.00 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 2oiz s PHE 86 CO 0.00 0.51 1.41 -0.51 0.70 0.00 0.00 175.22 177.33 2oiz s LEU 87 N -0.33 4.29 0.55 -0.37 1.43 -0.61 -0.13 118.68 123.51 2oiz s LEU 87 Ca 0.11 2.05 0.24 0.00 -1.03 0.00 0.00 54.13 55.50 2oiz s LEU 87 Cb -0.12 -3.55 1.55 0.00 0.03 0.00 0.00 46.19 44.10 2oiz s LEU 87 CO 0.01 -0.75 2.19 0.00 0.23 0.00 0.00 176.35 178.02 2oiz h SER 89 N 0.00 0.00 -0.01 0.00 4.64 -1.75 -0.61 113.55 115.82 2oiz h SER 89 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oiz h SER 89 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2oiz h SER 89 CO 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.93 2oiz n GLY 92 N -0.75 0.61 0.00 0.00 0.00 -1.23 -4.70 105.19 99.12 2oiz n GLY 92 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2oiz n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oiz n GLY 93 N -2.00 4.16 2.61 -0.02 0.00 -0.86 -4.44 105.19 104.64 2oiz n GLY 93 Ca 0.00 -1.98 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 2oiz n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2oiz n THR 94 N 0.00 0.00 0.30 2.61 -2.24 -0.64 -4.28 114.28 110.02 2oiz n THR 94 Ca 0.00 -1.91 0.16 0.00 -2.27 0.00 0.00 64.05 60.03 2oiz n THR 94 Cb 0.00 0.81 0.92 0.00 -2.10 0.00 0.00 70.33 69.96 2oiz n THR 94 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2oiz h THR 95 N 1.68 0.44 0.00 4.28 1.35 -1.92 -3.02 112.91 115.73 2oiz h THR 95 Ca -0.22 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2oiz h THR 95 Cb 0.96 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2oiz h THR 95 CO 0.34 0.03 -0.03 0.35 -0.25 0.00 0.00 175.52 175.96 2oiz n THR 96 N -3.66 1.02 -3.99 6.82 -2.24 -1.26 -2.39 114.28 108.57 2oiz n THR 96 Ca -0.03 -1.10 -0.16 0.00 -2.27 0.00 0.00 64.05 60.50 2oiz n THR 96 Cb 0.12 0.40 -0.15 0.00 -2.10 0.00 0.00 70.33 68.60 2oiz n THR 96 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2oiz s THR 97 N -1.24 0.21 0.49 4.28 -4.23 -1.14 -5.12 115.64 108.90 2oiz s THR 97 Ca 0.07 -0.03 -0.21 0.00 -1.18 0.00 0.00 61.69 60.34 2oiz s THR 97 Cb 0.06 -0.24 -0.07 0.00 1.34 0.00 0.00 72.50 73.59 2oiz s THR 97 CO 0.01 0.11 1.11 0.00 -0.54 0.00 0.00 174.62 175.31 2oiz n PRO 99 N -0.83 0.44 -1.66 0.00 -0.02 -1.26 -4.67 135.00 127.00 2oiz n PRO 99 Ca 0.09 0.20 -0.46 0.00 -2.02 0.00 0.00 63.50 61.31 2oiz n PRO 99 Cb 0.50 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 2oiz n PRO 99 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2oiz n PRO 100 N -1.39 1.93 -0.99 0.52 -0.02 -1.26 -1.87 135.00 131.92 2oiz n PRO 100 Ca 0.12 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2oiz n PRO 100 Cb 0.49 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2oiz n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oiz n GLY 101 N 2.32 0.61 3.54 -1.23 0.00 -1.26 -5.03 105.19 104.14 2oiz n GLY 101 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2oiz n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oiz s SER 102 N -2.21 4.27 -0.15 1.61 1.04 -0.78 -4.72 113.70 112.75 2oiz s SER 102 Ca 0.00 -0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.05 2oiz s SER 102 Cb 0.00 -0.82 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 2oiz s SER 102 CO 0.00 0.23 -0.03 -0.89 0.98 0.00 0.00 173.24 173.53 2oiz s THR 103 N -1.08 3.99 0.52 2.02 2.01 -0.01 -4.74 115.64 118.35 2oiz s THR 103 Ca 0.18 -0.33 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 2oiz s THR 103 Cb -0.11 -2.74 -0.06 0.00 0.01 0.00 0.00 72.50 69.60 2oiz s THR 103 CO 0.10 0.50 1.33 -2.84 -0.69 0.00 0.00 174.62 173.02 2oiz s PRO 104 N 0.23 3.31 0.25 4.92 0.02 -1.26 -0.59 135.00 141.87 2oiz s PRO 104 Ca -0.02 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 62.88 2oiz s PRO 104 Cb -0.14 -2.33 -0.09 0.00 0.02 0.00 0.00 34.50 31.96 2oiz s PRO 104 CO 0.03 -1.04 0.95 -1.54 -0.33 0.00 0.00 177.00 175.07 2oiz s SER 105 N -0.97 7.60 0.21 2.53 1.04 0.41 -4.88 113.70 119.64 2oiz s SER 105 Ca 0.69 1.96 0.25 0.00 0.48 0.00 0.00 55.95 59.34 2oiz s SER 105 Cb -0.39 -2.61 0.89 0.00 0.10 0.00 0.00 66.02 64.01 2oiz s SER 105 CO 0.47 0.12 1.76 -0.81 0.98 0.00 0.00 173.24 175.75 2oiz n PRO 106 N 1.39 0.22 -4.40 4.02 -0.04 -1.26 -4.73 135.00 130.20 2oiz n PRO 106 Ca -0.02 0.27 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 2oiz n PRO 106 Cb 0.47 -1.80 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 2oiz n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2oiz s ILE 107 N -3.17 1.68 0.00 0.52 -4.36 -1.26 -5.15 121.20 109.45 2oiz s ILE 107 Ca 0.09 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 2oiz s ILE 107 Cb 0.12 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.49 2oiz s ILE 107 CO 0.52 -0.38 0.00 -1.54 0.24 0.00 0.00 174.94 173.77 2oiz n SER 108 N -0.52 1.11 -3.61 4.36 3.41 -1.26 -4.55 113.62 112.55 2oiz n SER 108 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 2oiz n SER 108 Cb 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 2oiz n SER 108 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2oiz s ILE 110 N 1.01 0.00 0.24 -1.33 -1.09 -0.58 -4.88 121.20 114.56 2oiz s ILE 110 Ca 0.00 0.00 0.08 0.00 -2.23 0.00 0.00 60.65 58.50 2oiz s ILE 110 Cb 0.00 -1.00 -0.05 0.00 -1.58 0.00 0.00 42.46 39.83 2oiz s ILE 110 CO 0.00 0.00 -0.13 -0.83 -1.23 0.00 0.00 174.94 172.75 2oiz s GLY 111 N -0.06 1.61 -0.27 6.18 0.00 0.08 -4.60 107.32 110.27 2oiz s GLY 111 Ca -0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 44.72 42.92 2oiz s GLY 111 CO -0.01 -1.82 -0.00 -1.59 0.00 0.00 0.00 173.10 169.68 2oiz s THR 112 N -2.90 3.30 0.00 0.90 2.01 -1.26 -1.11 115.64 116.58 2oiz s THR 112 Ca 0.26 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.40 2oiz s THR 112 Cb -0.00 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 2oiz s THR 112 CO 0.10 0.13 -0.23 0.00 -0.69 0.00 0.00 174.62 173.92 2oiz s HIS 114 N -0.63 3.55 -0.31 0.00 2.46 -1.26 -0.93 115.29 118.17 2oiz s HIS 114 Ca 0.09 1.33 -0.22 0.00 0.47 0.00 0.00 55.06 56.73 2oiz s HIS 114 Cb -0.09 -2.92 -0.00 0.00 -0.13 0.00 0.00 32.58 29.44 2oiz s HIS 114 CO 0.00 -0.02 0.72 1.21 -2.47 0.00 0.00 174.74 174.18 2oiz s ASN 115 N 0.94 6.58 0.11 9.88 3.84 0.27 -4.87 114.94 131.69 2oiz s ASN 115 Ca 0.40 0.54 0.21 0.00 0.21 0.00 0.00 52.86 54.22 2oiz s ASN 115 Cb -0.18 -2.37 0.85 0.00 -0.55 0.00 0.00 41.25 38.99 2oiz s ASN 115 CO 0.18 -0.56 1.64 -0.81 -2.79 0.00 0.00 177.10 174.76 2oiz n PRO 116 N 6.08 0.09 -0.09 0.43 -0.04 -1.26 -1.29 135.00 138.92 2oiz n PRO 116 Ca 0.02 0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 2oiz n PRO 116 Cb 0.48 -1.66 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 2oiz n PRO 116 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2oiz h HIS 117 N 0.00 0.00 -0.02 0.54 3.86 -1.95 -3.40 115.15 114.18 2oiz h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2oiz h HIS 117 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2oiz h HIS 117 CO 0.00 0.90 -0.33 -0.40 0.86 0.00 0.00 177.93 178.95 2oiz n ASP 118 N -4.54 2.17 -0.12 2.45 5.68 -1.23 -4.97 116.55 115.99 2oiz n ASP 118 Ca -0.19 -1.58 -0.02 0.00 -0.50 0.00 0.00 54.79 52.50 2oiz n ASP 118 Cb 0.48 0.32 -0.01 0.00 -1.14 0.00 0.00 41.12 40.78 2oiz n ASP 118 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2oiz n GLY 119 N 1.39 0.42 3.85 6.12 0.00 -0.41 -5.01 105.19 111.55 2oiz n GLY 119 Ca 0.11 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2oiz n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oiz s LYS 120 N -1.20 3.13 -0.00 1.61 1.02 -1.23 -4.83 119.74 118.23 2oiz s LYS 120 Ca 0.00 -0.69 -0.17 0.00 0.02 0.00 0.00 55.97 55.13 2oiz s LYS 120 Cb 0.00 -2.81 -0.06 0.00 -0.52 0.00 0.00 37.83 34.44 2oiz s LYS 120 CO 0.00 0.53 0.48 -0.51 -0.92 0.00 0.00 175.35 174.93 2oiz s ASP 121 N -2.91 6.87 0.06 2.83 1.11 -1.26 -0.56 116.67 122.81 2oiz s ASP 121 Ca 0.32 1.03 0.07 0.00 0.18 0.00 0.00 52.55 54.16 2oiz s ASP 121 Cb -0.11 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.55 2oiz s ASP 121 CO 0.25 0.23 -0.20 -0.31 1.18 0.00 0.00 175.17 176.32 2oiz s TYR 122 N -0.68 1.75 -0.12 4.23 1.51 -0.11 -1.48 117.35 122.45 2oiz s TYR 122 Ca 0.26 -0.38 -0.28 0.00 -1.01 0.00 0.00 57.07 55.66 2oiz s TYR 122 Cb -0.17 -1.02 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 2oiz s TYR 122 CO 0.15 0.11 0.94 -0.51 -1.11 0.00 0.00 175.55 175.13 2oiz s LEU 123 N -1.34 4.24 -0.13 -1.29 1.43 -0.05 -0.83 118.68 120.71 2oiz s LEU 123 Ca 0.07 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 2oiz s LEU 123 Cb -0.09 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 2oiz s LEU 123 CO 0.02 -0.41 -0.16 -0.63 0.23 0.00 0.00 176.35 175.40 2oiz s ILE 124 N 1.95 2.71 -0.27 -0.59 -1.09 -0.26 -1.03 121.20 122.62 2oiz s ILE 124 Ca 0.45 -0.78 -0.09 0.00 -2.23 0.00 0.00 60.65 58.00 2oiz s ILE 124 Cb -0.18 -2.11 -0.03 0.00 -1.58 0.00 0.00 42.46 38.55 2oiz s ILE 124 CO 0.17 0.53 0.12 -0.94 -1.23 0.00 0.00 174.94 173.59 2oiz s SER 125 N 0.43 5.49 -1.16 3.58 1.04 0.13 -0.74 113.70 122.47 2oiz s SER 125 Ca -0.12 -0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.02 2oiz s SER 125 Cb -0.16 -2.00 0.24 0.00 0.10 0.00 0.00 66.02 64.20 2oiz s SER 125 CO 0.06 -0.07 1.42 -1.22 0.98 0.00 0.00 173.24 174.41 2oiz n TYR 126 N 4.98 4.08 -2.26 5.02 4.02 -1.26 -1.17 117.16 130.57 2oiz n TYR 126 Ca -0.15 -3.26 -0.38 0.00 -0.01 0.00 0.00 57.90 54.10 2oiz n TYR 126 Cb 0.51 -1.76 -0.01 0.00 -0.02 0.00 0.00 39.34 38.06 2oiz n TYR 126 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2oiz s HIS 127 N -0.66 2.97 0.42 -0.72 3.76 -1.25 -4.66 115.29 115.15 2oiz s HIS 127 Ca 0.35 1.54 0.03 0.00 -0.15 0.00 0.00 55.06 56.83 2oiz s HIS 127 Cb -0.01 -3.40 -0.00 0.00 1.11 0.00 0.00 32.58 30.27 2oiz s HIS 127 CO 0.00 -1.44 0.61 -0.51 -0.85 0.00 0.00 174.74 172.55 2oiz s ASP 128 N -1.20 5.82 -0.07 1.40 1.01 -1.26 -0.75 116.67 121.61 2oiz s ASP 128 Ca 0.60 0.09 0.02 0.00 0.71 0.00 0.00 52.55 53.97 2oiz s ASP 128 Cb -0.30 -1.35 -0.02 0.00 1.01 0.00 0.00 42.92 42.25 2oiz s ASP 128 CO 0.38 -0.66 -0.12 0.00 0.21 0.00 0.00 175.17 174.97 2oiz n GLY 131 N -0.26 0.60 3.07 0.00 0.00 0.13 -0.83 105.19 107.90 2oiz n GLY 131 Ca -0.06 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2oiz n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oiz s LYS 132 N -0.58 0.56 0.94 1.61 1.02 -1.26 -4.92 119.74 117.11 2oiz s LYS 132 Ca 0.00 -0.88 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 2oiz s LYS 132 Cb 0.00 -0.19 0.15 0.00 -0.52 0.00 0.00 37.83 37.28 2oiz s LYS 132 CO 0.00 0.01 1.09 0.95 -0.92 0.00 0.00 175.35 176.48 2oiz s THR 133 N -1.99 2.49 0.09 2.17 -4.23 -1.26 -3.31 115.64 109.61 2oiz s THR 133 Ca -0.06 0.16 -0.35 0.00 -1.18 0.00 0.00 61.69 60.26 2oiz s THR 133 Cb -0.06 -2.58 -0.15 0.00 1.34 0.00 0.00 72.50 71.05 2oiz s THR 133 CO -0.01 -0.21 1.49 0.00 -0.54 0.00 0.00 174.62 175.35 2oiz n ALA 134 N -4.04 0.19 -0.20 3.99 0.00 -1.20 -4.58 120.51 114.67 2oiz n ALA 134 Ca 0.07 0.47 -0.07 0.00 0.00 0.00 0.00 53.44 53.90 2oiz n ALA 134 Cb 0.55 -2.23 0.02 0.00 0.00 0.00 0.00 19.45 17.80 2oiz n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oiz n GLY 136 N -0.88 1.38 3.69 0.00 0.00 -1.26 -5.02 105.19 103.10 2oiz n GLY 136 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2oiz n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oiz s ARG 137 N -0.20 2.85 -1.19 1.61 0.52 -1.26 -4.69 118.95 116.58 2oiz s ARG 137 Ca 0.00 -0.55 -0.07 0.00 -0.52 0.00 0.00 55.73 54.58 2oiz s ARG 137 Cb 0.00 -2.71 -0.02 0.00 0.52 0.00 0.00 34.95 32.74 2oiz s ARG 137 CO 0.00 0.65 0.80 0.00 0.02 0.00 0.00 175.30 176.76 2oiz s GLN 139 N -5.55 4.35 0.15 0.00 0.74 -1.26 -1.58 119.66 116.51 2oiz s GLN 139 Ca 0.24 2.01 0.07 0.00 0.05 0.00 0.00 55.36 57.74 2oiz s GLN 139 Cb -0.06 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.75 2oiz s GLN 139 CO 0.80 -0.37 -0.16 0.00 -0.55 0.00 0.00 175.29 175.01 2oiz n ASN 141 N 0.40 -0.21 -4.91 0.00 5.15 -1.15 -1.32 115.26 113.21 2oiz n ASN 141 Ca -0.14 -3.21 -0.31 0.00 -0.60 0.00 0.00 54.58 50.31 2oiz n ASN 141 Cb 0.57 0.19 -0.04 0.00 -0.53 0.00 0.00 39.78 39.96 2oiz n ASN 141 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2oiz s THR 142 N -1.52 5.27 -0.02 -0.44 2.01 -0.02 -4.96 115.64 115.97 2oiz s THR 142 Ca 0.34 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.23 2oiz s THR 142 Cb 0.32 -3.63 0.08 0.00 0.01 0.00 0.00 72.50 69.28 2oiz s THR 142 CO -0.08 0.08 1.04 0.00 -0.69 0.00 0.00 174.62 174.97 2oiz n GLN 143 N 0.17 0.18 -1.67 4.92 1.13 -1.09 -3.48 117.38 117.54 2oiz n GLN 143 Ca -0.04 -1.31 -0.42 0.00 -1.94 0.00 0.00 57.00 53.30 2oiz n GLN 143 Cb 0.51 -0.60 -0.03 0.00 0.11 0.00 0.00 30.24 30.24 2oiz n GLN 143 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2oiz s THR 144 N -0.40 2.97 -0.12 5.09 2.01 -0.53 -1.87 115.64 122.79 2oiz s THR 144 Ca 0.07 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2oiz s THR 144 Cb 0.07 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.57 2oiz s THR 144 CO -0.01 -0.00 0.00 0.54 -0.69 0.00 0.00 174.62 174.46 2oiz n ARG 145 N 7.41 -1.28 -2.54 4.92 1.74 -1.26 -4.59 116.66 121.07 2oiz n ARG 145 Ca 0.20 0.38 -0.39 0.00 -0.77 0.00 0.00 57.85 57.26 2oiz n ARG 145 Cb 0.41 -4.37 -0.05 0.00 -1.02 0.00 0.00 32.46 27.44 2oiz n ARG 145 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2oiz s GLU 146 N -1.45 4.56 0.19 5.56 -6.30 -0.78 -4.95 118.70 115.52 2oiz s GLU 146 Ca 0.00 1.67 0.04 0.00 -2.50 0.00 0.00 54.97 54.18 2oiz s GLU 146 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 34.13 31.04 2oiz s GLU 146 CO 0.00 0.18 -0.05 1.03 0.02 0.00 0.00 175.26 176.44 2oiz s ARG 147 N -1.67 1.20 1.06 4.30 1.81 -0.96 -5.03 118.95 119.66 2oiz s ARG 147 Ca 0.47 -1.56 -0.18 0.00 -1.72 0.00 0.00 55.73 52.74 2oiz s ARG 147 Cb -0.28 -0.61 0.26 0.00 -0.45 0.00 0.00 34.95 33.87 2oiz s ARG 147 CO 0.36 -0.01 1.00 -2.30 -0.68 0.00 0.00 175.30 173.67 2oiz n PRO 148 N -0.31 -2.65 0.07 3.54 -0.02 -1.26 -3.67 135.00 130.70 2oiz n PRO 148 Ca -0.08 -1.59 0.10 0.00 -2.02 0.00 0.00 63.50 59.91 2oiz n PRO 148 Cb 0.62 -1.42 0.41 0.00 -0.02 0.00 0.00 33.50 33.09 2oiz n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oiz n GLY 149 N -3.76 -1.14 0.00 -1.23 0.00 -1.26 -0.63 105.19 97.16 2oiz n GLY 149 Ca 0.14 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2oiz n GLY 149 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2oiz n TYR 150 N -1.91 0.00 -3.55 1.61 0.18 -1.26 -3.03 117.16 109.20 2oiz n TYR 150 Ca 0.03 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.53 2oiz n TYR 150 Cb 0.20 -0.41 -0.09 0.00 -0.38 0.00 0.00 39.34 38.66 2oiz n TYR 150 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2oiz n GLU 151 N -1.41 2.30 -0.33 -3.48 1.02 0.19 -5.02 120.64 113.92 2oiz n GLU 151 Ca 0.07 -4.59 -0.04 0.00 -0.02 0.00 0.00 57.16 52.58 2oiz n GLU 151 Cb 0.20 -2.24 0.09 0.00 -0.02 0.00 0.00 31.44 29.47 2oiz n GLU 151 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2oiz h PHE 152 N 4.51 1.23 -0.01 -0.32 3.57 -1.69 -0.61 116.94 123.62 2oiz h PHE 152 Ca 0.18 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2oiz h PHE 152 Cb 0.69 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2oiz h PHE 152 CO 0.70 0.86 0.00 1.19 -2.23 0.00 0.00 178.31 178.83 2oiz n PHE 153 N -4.32 0.01 0.03 0.41 3.01 -1.26 -1.94 117.46 113.39 2oiz n PHE 153 Ca 0.09 -0.01 0.10 0.00 1.01 0.00 0.00 57.45 58.65 2oiz n PHE 153 Cb 0.11 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 39.79 2oiz n PHE 153 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2oiz n LEU 154 N -0.76 3.33 -4.59 4.37 4.77 -0.24 -1.53 117.00 122.35 2oiz n LEU 154 Ca 0.16 -1.70 -0.34 0.00 -0.03 0.00 0.00 56.01 54.09 2oiz n LEU 154 Cb 0.09 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 40.79 2oiz n LEU 154 CO 0.12 0.77 -0.32 -2.28 -1.33 0.00 0.00 177.39 174.35 2oiz s HIS 155 N -1.19 3.10 -0.09 -1.77 2.46 -0.82 -2.25 115.29 114.74 2oiz s HIS 155 Ca 0.35 -0.04 0.13 0.00 0.47 0.00 0.00 55.06 55.97 2oiz s HIS 155 Cb 0.20 -1.90 0.19 0.00 -0.13 0.00 0.00 32.58 30.94 2oiz s HIS 155 CO 0.27 0.20 1.09 0.27 -2.47 0.00 0.00 174.74 174.10 2oiz n ASN 156 N 2.94 2.09 -1.73 9.88 0.23 -1.26 -4.54 115.26 122.86 2oiz n ASN 156 Ca -0.18 -2.71 0.08 0.00 -0.53 0.00 0.00 54.58 51.24 2oiz n ASN 156 Cb 0.53 -0.30 0.38 0.00 -2.08 0.00 0.00 39.78 38.31 2oiz n ASN 156 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2oiz n ASP 157 N -1.09 5.19 -4.47 0.53 8.00 -1.26 -4.67 116.55 118.77 2oiz n ASP 157 Ca 0.11 -2.69 -0.24 0.00 0.71 0.00 0.00 54.79 52.68 2oiz n ASP 157 Cb 0.54 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 2oiz n ASP 157 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2oiz s VAL 158 N -2.32 2.47 -0.52 2.53 -7.23 -1.26 -5.10 120.40 108.98 2oiz s VAL 158 Ca 0.52 -2.41 -0.28 0.00 -1.81 0.00 0.00 61.98 58.00 2oiz s VAL 158 Cb 0.37 -2.30 0.03 0.00 0.56 0.00 0.00 36.38 35.04 2oiz s VAL 158 CO 0.19 -0.40 1.10 0.21 -0.31 0.00 0.00 175.10 175.90 2oiz s ASN 159 N -3.51 6.52 0.00 4.85 2.47 -1.26 -4.90 114.94 119.11 2oiz s ASN 159 Ca 0.30 0.21 0.23 0.00 0.42 0.00 0.00 52.86 54.01 2oiz s ASN 159 Cb -0.05 -2.52 1.36 0.00 -1.45 0.00 0.00 41.25 38.58 2oiz s ASN 159 CO 0.15 -1.30 1.74 0.79 -3.72 0.00 0.00 177.10 174.76 2oiz n TRP 160 N 7.91 0.00 1.87 0.43 7.02 -1.26 -1.28 117.44 132.12 2oiz n TRP 160 Ca 0.09 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.68 2oiz n TRP 160 Cb 0.49 0.00 0.61 0.00 -2.42 0.00 0.00 31.31 29.98 2oiz n TRP 160 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2oiz h MET 162 N 0.43 0.00 -0.26 0.00 -0.00 -1.47 -1.14 114.93 112.50 2oiz h MET 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2oiz h MET 162 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 2oiz h MET 162 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2oiz n ALA 163 N -2.34 2.37 -1.48 -3.00 0.00 -1.26 -4.91 120.51 109.88 2oiz n ALA 163 Ca 0.01 -0.91 -0.31 0.00 0.00 0.00 0.00 53.44 52.24 2oiz n ALA 163 Cb 0.32 -0.60 0.06 0.00 0.00 0.00 0.00 19.45 19.23 2oiz n ALA 163 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2oiz s ASN 164 N -1.20 5.14 0.25 0.00 0.02 -0.43 -4.94 114.94 113.78 2oiz s ASN 164 Ca 0.26 1.68 -0.03 0.00 -1.02 0.00 0.00 52.86 53.76 2oiz s ASN 164 Cb 0.16 -2.50 0.46 0.00 0.02 0.00 0.00 41.25 39.38 2oiz s ASN 164 CO 0.22 -1.61 1.80 -0.08 0.02 0.00 0.00 177.10 177.45 2oiz h GLU 165 N -0.81 0.74 -4.78 -0.60 4.81 -1.95 -3.33 114.58 108.66 2oiz h GLU 165 Ca -0.44 -0.04 -0.63 0.00 -0.13 0.00 0.00 59.36 58.12 2oiz h GLU 165 Cb 1.22 -0.17 -0.36 0.00 0.63 0.00 0.00 28.75 30.07 2oiz h GLU 165 CO 0.55 0.49 -0.84 1.21 -0.73 0.00 0.00 179.01 179.70 2oiz s ASN 166 N -5.56 3.04 0.00 1.04 3.84 -1.26 -5.03 114.94 111.01 2oiz s ASN 166 Ca -0.12 -0.66 0.23 0.00 0.21 0.00 0.00 52.86 52.52 2oiz s ASN 166 Cb 0.20 -1.30 1.12 0.00 -0.55 0.00 0.00 41.25 40.73 2oiz s ASN 166 CO 0.78 -0.06 1.75 -1.54 -2.79 0.00 0.00 177.10 175.24 2oiz n SER 167 N 4.69 0.74 -4.72 -4.21 3.41 -1.25 -3.23 113.62 109.05 2oiz n SER 167 Ca -0.18 -1.45 -0.42 0.00 -0.26 0.00 0.00 58.87 56.56 2oiz n SER 167 Cb 0.49 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 2oiz n SER 167 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2oiz s THR 168 N -1.93 2.56 -0.10 6.66 2.01 -1.26 -4.69 115.64 118.88 2oiz s THR 168 Ca 0.34 0.40 -0.25 0.00 0.31 0.00 0.00 61.69 62.48 2oiz s THR 168 Cb 0.17 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 2oiz s THR 168 CO 0.27 0.03 0.80 0.12 -0.69 0.00 0.00 174.62 175.15 2oiz s PHE 169 N 1.17 3.53 -0.13 4.92 5.36 -1.26 -0.69 117.98 130.87 2oiz s PHE 169 Ca 0.71 1.32 -0.13 0.00 -0.96 0.00 0.00 56.93 57.87 2oiz s PHE 169 Cb -0.44 -2.94 -0.05 0.00 -0.34 0.00 0.00 43.02 39.24 2oiz s PHE 169 CO 0.31 -0.06 -0.27 1.58 -1.46 0.00 0.00 175.22 175.33 2oiz n HIS 170 N 4.39 0.00 -3.84 10.12 -0.00 -0.54 -3.26 115.22 122.09 2oiz n HIS 170 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.68 2oiz n HIS 170 Cb 0.50 -0.45 -0.01 0.00 -0.00 0.00 0.00 29.99 30.03 2oiz n HIS 170 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2oiz s THR 172 N -3.55 2.62 0.34 0.00 2.01 0.82 -0.51 115.64 117.36 2oiz s THR 172 Ca 0.12 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.34 2oiz s THR 172 Cb -0.05 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 2oiz s THR 172 CO 0.07 0.56 0.41 0.42 -0.69 0.00 0.00 174.62 175.39 2oiz s THR 173 N -0.13 3.81 -0.46 -0.82 -4.23 0.07 -1.14 115.64 112.74 2oiz s THR 173 Ca -0.03 -1.13 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 2oiz s THR 173 Cb -0.14 -3.31 0.14 0.00 1.34 0.00 0.00 72.50 70.54 2oiz s THR 173 CO 0.04 -0.15 0.28 -0.44 -0.54 0.00 0.00 174.62 173.80 2oiz s SER 174 N -4.12 3.51 -0.24 3.99 0.01 -1.01 -3.89 113.70 111.96 2oiz s SER 174 Ca 0.44 -2.79 -0.12 0.00 1.31 0.00 0.00 55.95 54.79 2oiz s SER 174 Cb -0.08 -1.01 -0.05 0.00 0.21 0.00 0.00 66.02 65.09 2oiz s SER 174 CO 0.30 -0.24 0.25 -0.69 0.41 0.00 0.00 173.24 173.27 2oiz s VAL 175 N 0.15 5.29 -0.24 3.43 1.01 -0.31 -4.74 120.40 124.98 2oiz s VAL 175 Ca 0.20 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 2oiz s VAL 175 Cb -0.19 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2oiz s VAL 175 CO -0.04 0.29 1.03 -0.22 0.00 0.00 0.00 175.10 176.16 2oiz s LEU 176 N 1.34 4.08 -0.18 3.92 1.98 -1.26 0.19 118.68 128.75 2oiz s LEU 176 Ca 0.11 1.32 -0.24 0.00 -2.89 0.00 0.00 54.13 52.44 2oiz s LEU 176 Cb -0.14 -3.51 -0.21 0.00 0.66 0.00 0.00 46.19 42.98 2oiz s LEU 176 CO 0.07 -0.68 0.39 0.58 -1.89 0.00 0.00 176.35 174.82 2oiz h VAL 177 N 5.47 1.18 0.00 1.68 2.07 -1.45 -3.48 116.25 121.73 2oiz h VAL 177 Ca -0.19 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2oiz h VAL 177 Cb 1.06 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2oiz h VAL 177 CO 0.98 0.40 0.00 0.61 0.02 0.00 0.00 177.57 179.58 2oiz n GLY 178 N 1.50 -1.37 3.77 2.17 0.00 -1.21 -5.02 105.19 105.03 2oiz n GLY 178 Ca -0.24 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 2oiz n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oiz s LEU 179 N 0.00 4.07 0.00 0.99 1.43 -1.26 -0.87 118.68 123.04 2oiz s LEU 179 Ca 0.00 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 2oiz s LEU 179 Cb 0.00 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 42.08 2oiz s LEU 179 CO 0.00 -0.91 0.31 0.00 0.23 0.00 0.00 176.35 175.98