#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hix s PHE 36 N 0.00 3.35 -0.06 0.00 -0.12 -1.26 -4.67 117.98 115.21 3hix s PHE 36 Ca 0.00 0.13 0.01 0.00 -0.05 0.00 0.00 56.93 57.02 3hix s PHE 36 Cb 0.00 -1.66 -0.03 0.00 -0.63 0.00 0.00 43.02 40.70 3hix s PHE 36 CO 0.00 0.54 -0.07 0.99 -0.05 0.00 0.00 175.22 176.63 3hix s THR 37 N -1.54 3.66 -0.13 -4.49 2.01 -0.05 -5.02 115.64 110.08 3hix s THR 37 Ca 0.32 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 3hix s THR 37 Cb -0.12 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 3hix s THR 37 CO 0.25 0.59 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.04 3hix s ILE 38 N -0.81 3.26 -0.13 1.82 1.01 -1.26 -0.27 121.20 124.83 3hix s ILE 38 Ca 0.12 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.20 3hix s ILE 38 Cb -0.11 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3hix s ILE 38 CO 0.02 0.53 -0.18 -0.76 0.00 0.00 0.00 174.94 174.54 3hix s LEU 39 N 0.23 2.42 -0.38 2.97 1.02 0.05 -4.46 118.68 120.53 3hix s LEU 39 Ca -0.07 -0.45 -0.11 0.00 0.02 0.00 0.00 54.13 53.51 3hix s LEU 39 Cb -0.15 -1.52 0.03 0.00 0.02 0.00 0.00 46.19 44.57 3hix s LEU 39 CO 0.05 0.14 0.22 -0.62 0.02 0.00 0.00 176.35 176.16 3hix s ASP 40 N 0.48 5.77 -0.01 2.29 -1.08 -1.26 -1.99 116.67 120.88 3hix s ASP 40 Ca -0.12 -1.02 0.16 0.00 -0.52 0.00 0.00 52.55 51.06 3hix s ASP 40 Cb -0.16 -2.04 0.48 0.00 -1.46 0.00 0.00 42.92 39.74 3hix s ASP 40 CO 0.05 -0.40 1.40 1.33 0.52 0.00 0.00 175.17 178.07 3hix n VAL 41 N 5.01 0.78 -1.61 1.11 0.24 -0.72 -3.97 118.33 119.17 3hix n VAL 41 Ca -0.12 -0.74 -0.30 0.00 -2.04 0.00 0.00 64.34 61.15 3hix n VAL 41 Cb 0.46 0.33 0.21 0.00 -1.47 0.00 0.00 33.84 33.37 3hix n VAL 41 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3hix s ARG 42 N -1.32 -0.05 0.64 7.34 0.52 -1.26 -1.36 118.95 123.46 3hix s ARG 42 Ca 0.36 -0.27 -0.18 0.00 -0.52 0.00 0.00 55.73 55.12 3hix s ARG 42 Cb 0.19 -1.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.90 3hix s ARG 42 CO 0.24 -2.90 1.26 -0.51 0.02 0.00 0.00 175.30 173.41 3hix s ASP 43 N -4.50 4.75 0.19 0.23 1.01 -1.26 -3.98 116.67 113.11 3hix s ASP 43 Ca 0.73 2.53 -0.13 0.00 0.71 0.00 0.00 52.55 56.38 3hix s ASP 43 Cb -0.06 -2.61 0.20 0.00 1.01 0.00 0.00 42.92 41.46 3hix s ASP 43 CO 0.54 -1.90 1.68 -0.09 0.21 0.00 0.00 175.17 175.61 3hix h ARG 44 N 0.58 0.11 -0.83 8.23 1.12 -1.95 -0.72 114.38 120.91 3hix h ARG 44 Ca -0.50 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.36 3hix h ARG 44 Cb 1.32 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 31.22 3hix h ARG 44 CO 0.53 0.07 0.54 0.77 -3.11 0.00 0.00 179.97 178.77 3hix h SER 45 N 0.11 0.96 -0.43 -3.80 0.02 -1.98 0.50 113.55 108.92 3hix h SER 45 Ca 0.26 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3hix h SER 45 Cb 0.40 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3hix h SER 45 CO -0.44 0.70 0.10 0.74 -1.14 0.00 0.00 176.83 176.79 3hix h THR 46 N 1.13 1.23 -0.52 -2.27 2.02 -1.63 -1.30 112.91 111.57 3hix h THR 46 Ca 0.30 -0.82 0.03 0.00 0.77 0.00 0.00 66.41 66.69 3hix h THR 46 Cb -0.11 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3hix h THR 46 CO -0.06 0.29 0.29 0.22 0.37 0.00 0.00 175.52 176.63 3hix h TYR 47 N 0.56 0.54 0.00 3.16 5.03 -0.50 -1.52 116.97 124.25 3hix h TYR 47 Ca 0.13 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 3hix h TYR 47 Cb 0.33 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 3hix h TYR 47 CO 0.02 0.29 -0.05 -0.91 -1.32 0.00 0.00 178.16 176.18 3hix h ASN 48 N 0.57 0.00 0.83 -2.11 2.35 -0.43 -0.04 115.58 116.75 3hix h ASN 48 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3hix h ASN 48 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3hix h ASN 48 CO -0.13 0.05 0.00 0.47 -1.65 0.00 0.00 177.43 176.18 3hix n ASP 49 N -4.05 0.00 0.00 5.81 8.00 -0.54 -4.77 116.55 121.01 3hix n ASP 49 Ca -0.03 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.88 3hix n ASP 49 Cb 0.14 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3hix n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hix n GLY 50 N 1.15 3.91 3.43 0.44 0.00 -0.03 -4.88 105.19 109.20 3hix n GLY 50 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 3hix n GLY 50 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hix s HIS 51 N -0.11 0.37 0.00 1.61 -3.43 -0.82 -4.51 115.29 108.40 3hix s HIS 51 Ca 0.00 -0.72 0.00 0.00 -0.80 0.00 0.00 55.06 53.54 3hix s HIS 51 Cb 0.00 0.04 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 3hix s HIS 51 CO 0.00 -0.83 0.00 -0.89 -2.00 0.00 0.00 174.74 171.02 3hix n ILE 52 N -0.29 0.00 0.00 -5.38 5.41 -1.26 -0.80 119.36 117.04 3hix n ILE 52 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3hix n ILE 52 Cb 0.63 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 3hix n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hix n GLY 54 N 0.75 0.00 0.00 7.39 0.00 -1.26 -4.76 105.19 107.30 3hix n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hix n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hix n ALA 55 N 0.30 0.00 -2.24 4.61 0.00 -1.26 -4.71 120.51 117.21 3hix n ALA 55 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hix n ALA 55 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3hix n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hix s ALA 57 N -3.20 1.36 -0.09 0.00 0.00 -1.26 -4.90 121.76 113.67 3hix s ALA 57 Ca 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 3hix s ALA 57 Cb 0.00 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.24 3hix s ALA 57 CO 0.00 -0.13 0.21 -2.14 0.00 0.00 0.00 175.76 173.70 3hix s PRO 59 N -3.77 0.21 0.49 0.00 0.02 -1.25 -4.95 135.00 125.74 3hix s PRO 59 Ca 0.16 0.39 0.26 0.00 0.02 0.00 0.00 61.00 61.83 3hix s PRO 59 Cb 0.03 -0.01 1.32 0.00 0.02 0.00 0.00 34.50 35.86 3hix s PRO 59 CO -0.00 -0.10 1.87 0.97 -0.33 0.00 0.00 177.00 179.41 3hix h ILE 60 N 5.38 0.60 -0.57 2.83 2.10 -1.46 -0.83 117.51 125.56 3hix h ILE 60 Ca -0.34 -0.06 -0.00 0.00 1.08 0.00 0.00 64.86 65.55 3hix h ILE 60 Cb 1.17 0.42 -0.03 0.00 -1.09 0.00 0.00 36.82 37.30 3hix h ILE 60 CO 0.38 0.03 0.36 -0.08 -1.08 0.00 0.00 178.15 177.76 3hix h GLU 61 N 0.16 0.77 -0.35 2.19 4.81 -1.97 -2.68 114.58 117.51 3hix h GLU 61 Ca 0.45 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3hix h GLU 61 Cb 1.49 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3hix h GLU 61 CO -0.08 0.53 0.00 -0.25 -0.73 0.00 0.00 179.01 178.48 3hix n ASP 62 N -4.43 2.93 -0.02 1.04 8.00 -0.42 -4.80 116.55 118.85 3hix n ASP 62 Ca 0.05 -1.98 -0.12 0.00 0.71 0.00 0.00 54.79 53.45 3hix n ASP 62 Cb 0.06 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 3hix n ASP 62 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hix h LEU 63 N 2.10 -1.37 0.16 0.64 5.85 -0.92 -1.18 115.31 120.58 3hix h LEU 63 Ca 0.00 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3hix h LEU 63 Cb 0.73 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3hix h LEU 63 CO 0.00 -0.42 -0.21 0.58 -0.34 0.00 0.00 178.44 178.05 3hix h VAL 64 N -0.48 0.53 -0.20 1.05 2.07 -1.87 0.17 116.25 117.53 3hix h VAL 64 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 3hix h VAL 64 Cb 0.63 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3hix h VAL 64 CO -0.42 0.00 0.04 0.44 0.02 0.00 0.00 177.57 177.64 3hix h ASP 65 N -0.42 0.01 -0.31 0.57 5.19 -1.91 0.75 116.42 120.30 3hix h ASP 65 Ca 0.01 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3hix h ASP 65 Cb 0.42 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 3hix h ASP 65 CO -0.09 0.04 0.18 -0.09 -3.12 0.00 0.00 179.24 176.16 3hix h ARG 66 N 0.12 0.42 -0.10 3.56 9.65 -1.05 -2.70 114.38 124.28 3hix h ARG 66 Ca 0.09 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3hix h ARG 66 Cb 0.08 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3hix h ARG 66 CO -0.12 0.33 -0.01 0.00 2.80 0.00 0.00 179.97 182.97 3hix h ALA 67 N 1.06 0.13 -0.15 2.80 0.00 -0.46 -2.89 119.26 119.76 3hix h ALA 67 Ca 0.11 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hix h ALA 67 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hix h ALA 67 CO -0.02 -0.16 0.13 0.77 0.00 0.00 0.00 179.25 179.97 3hix h SER 68 N -0.12 0.00 0.57 0.00 0.02 -0.84 0.14 113.55 113.32 3hix h SER 68 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3hix h SER 68 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3hix h SER 68 CO 0.01 0.00 -0.69 -1.20 -1.14 0.00 0.00 176.83 173.80 3hix n SER 69 N -4.07 0.61 0.00 3.07 7.64 -1.02 -4.51 113.62 115.34 3hix n SER 69 Ca 0.01 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 3hix n SER 69 Cb 0.25 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 3hix n SER 69 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hix n SER 70 N -1.80 0.09 -4.10 6.43 3.41 -0.77 -5.05 113.62 111.83 3hix n SER 70 Ca 0.04 -0.37 -0.27 0.00 -0.26 0.00 0.00 58.87 58.00 3hix n SER 70 Cb 0.39 0.31 -0.17 0.00 -0.26 0.00 0.00 64.21 64.49 3hix n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hix s LEU 71 N -0.63 1.81 0.22 1.04 1.43 0.41 -5.07 118.68 117.89 3hix s LEU 71 Ca 0.00 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 3hix s LEU 71 Cb 0.00 -1.02 -0.09 0.00 0.03 0.00 0.00 46.19 45.12 3hix s LEU 71 CO 0.00 0.09 1.13 -1.83 0.23 0.00 0.00 176.35 175.97 3hix s GLU 72 N 0.49 4.57 0.52 1.70 1.03 -1.26 -4.61 118.70 121.14 3hix s GLU 72 Ca -0.15 1.81 0.12 0.00 0.03 0.00 0.00 54.97 56.79 3hix s GLU 72 Cb -0.16 -3.23 0.66 0.00 -0.80 0.00 0.00 34.13 30.60 3hix s GLU 72 CO 0.05 0.07 1.30 0.87 -1.33 0.00 0.00 175.26 176.22 3hix h LYS 73 N 4.63 0.00 -0.01 -4.83 1.79 -1.94 0.25 116.57 116.47 3hix h LYS 73 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3hix h LYS 73 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3hix h LYS 73 CO 0.71 0.00 -0.50 -1.13 -1.08 0.00 0.00 179.45 177.45 3hix n SER 74 N -2.36 1.05 -4.67 0.86 3.41 -1.26 -0.66 113.62 109.99 3hix n SER 74 Ca -0.01 -0.84 -0.43 0.00 -0.26 0.00 0.00 58.87 57.34 3hix n SER 74 Cb 0.60 0.38 -0.00 0.00 -0.26 0.00 0.00 64.21 64.93 3hix n SER 74 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hix n ARG 75 N -0.93 1.85 -2.79 4.33 3.00 0.86 -4.72 116.66 118.27 3hix n ARG 75 Ca 0.08 0.65 -0.43 0.00 -0.00 0.00 0.00 57.85 58.16 3hix n ARG 75 Cb 0.36 -2.20 -0.04 0.00 0.00 0.00 0.00 32.46 30.58 3hix n ARG 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3hix s ASP 76 N -0.44 6.45 -0.10 6.15 2.15 -1.26 -4.23 116.67 125.39 3hix s ASP 76 Ca 0.58 0.00 -0.01 0.00 0.43 0.00 0.00 52.55 53.55 3hix s ASP 76 Cb -0.58 -2.46 -0.03 0.00 -0.30 0.00 0.00 42.92 39.54 3hix s ASP 76 CO 0.61 -1.16 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.78 3hix s ILE 77 N 3.97 3.90 -0.09 4.11 1.01 -0.00 -0.87 121.20 133.23 3hix s ILE 77 Ca 0.36 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3hix s ILE 77 Cb -0.10 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.74 3hix s ILE 77 CO 0.25 0.57 -0.17 -0.31 0.00 0.00 0.00 174.94 175.27 3hix s TYR 78 N -0.51 2.02 0.11 3.97 2.02 0.63 -0.17 117.35 125.43 3hix s TYR 78 Ca 0.08 -0.85 0.10 0.00 -0.37 0.00 0.00 57.07 56.04 3hix s TYR 78 Cb -0.12 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3hix s TYR 78 CO 0.02 -0.39 -0.26 0.08 -1.57 0.00 0.00 175.55 173.43 3hix s VAL 79 N 0.64 2.31 -0.11 0.71 1.01 0.43 -0.77 120.40 124.62 3hix s VAL 79 Ca -0.14 -1.66 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 3hix s VAL 79 Cb -0.16 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.24 3hix s VAL 79 CO 0.04 0.14 0.27 -0.72 0.00 0.00 0.00 175.10 174.84 3hix s TYR 80 N -1.02 -0.32 0.00 5.22 1.13 -0.84 -0.67 117.35 120.84 3hix s TYR 80 Ca 0.14 0.77 0.00 0.00 -1.41 0.00 0.00 57.07 56.57 3hix s TYR 80 Cb -0.10 0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.86 3hix s TYR 80 CO 0.06 -0.17 0.00 0.41 -2.51 0.00 0.00 175.55 173.34 3hix n GLY 81 N 3.21 6.50 0.31 5.49 0.00 -1.26 -1.76 105.19 117.68 3hix n GLY 81 Ca -0.15 -1.95 -0.06 0.00 0.00 0.00 0.00 46.02 43.86 3hix n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hix h ALA 82 N 1.00 0.94 -4.07 4.61 0.00 -1.92 -3.43 119.26 116.38 3hix h ALA 82 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 3hix h ALA 82 Cb 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 3hix h ALA 82 CO 0.00 0.56 -0.22 0.41 0.00 0.00 0.00 179.25 179.99 3hix n GLY 83 N -0.87 2.63 0.23 0.00 0.00 -1.26 -4.97 105.19 100.95 3hix n GLY 83 Ca 0.06 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.49 3hix n GLY 83 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hix h ASP 84 N 1.63 0.00 0.18 1.61 3.32 -1.96 -2.52 116.42 118.68 3hix h ASP 84 Ca -0.21 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.66 3hix h ASP 84 Cb 0.97 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3hix h ASP 84 CO 0.29 0.22 -0.68 1.05 -1.72 0.00 0.00 179.24 178.40 3hix h GLU 85 N 0.00 0.45 -0.04 3.56 9.09 -1.98 -1.48 114.58 124.18 3hix h GLU 85 Ca -0.00 -0.34 -0.20 0.00 0.05 0.00 0.00 59.36 58.87 3hix h GLU 85 Cb 0.58 0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.73 3hix h GLU 85 CO 0.03 0.97 -0.82 0.37 0.05 0.00 0.00 179.01 179.61 3hix h GLN 86 N 0.32 0.36 -0.19 1.06 4.15 -1.93 -1.85 115.11 117.04 3hix h GLN 86 Ca -0.02 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.05 3hix h GLN 86 Cb 1.24 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.01 3hix h GLN 86 CO 0.12 1.00 0.10 1.15 -1.93 0.00 0.00 178.83 179.28 3hix h THR 87 N 0.23 1.11 -0.49 2.39 2.02 -1.37 -1.82 112.91 114.98 3hix h THR 87 Ca -0.05 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3hix h THR 87 Cb 1.42 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 3hix h THR 87 CO 0.14 0.10 0.32 0.28 0.37 0.00 0.00 175.52 176.73 3hix h SER 88 N 0.20 0.57 -0.60 4.18 0.02 -1.21 -0.92 113.55 115.78 3hix h SER 88 Ca 0.07 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3hix h SER 88 Cb 0.07 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 3hix h SER 88 CO -0.01 0.42 0.35 1.56 -1.14 0.00 0.00 176.83 178.00 3hix h GLN 89 N 0.66 0.65 -0.31 3.45 4.20 -1.17 -0.55 115.11 122.03 3hix h GLN 89 Ca 0.18 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3hix h GLN 89 Cb -0.06 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3hix h GLN 89 CO -0.04 0.43 0.06 0.00 -0.67 0.00 0.00 178.83 178.61 3hix h ALA 90 N 1.29 0.41 -0.60 3.87 0.00 -0.97 -1.08 119.26 122.19 3hix h ALA 90 Ca 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hix h ALA 90 Cb 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hix h ALA 90 CO -0.14 0.09 0.40 0.28 0.00 0.00 0.00 179.25 179.87 3hix h VAL 91 N 0.34 1.15 -0.65 0.00 2.07 -0.85 -1.82 116.25 116.49 3hix h VAL 91 Ca 0.10 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3hix h VAL 91 Cb 0.32 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3hix h VAL 91 CO 0.00 0.15 0.37 0.78 0.02 0.00 0.00 177.57 178.89 3hix h ASN 92 N 0.81 0.80 -0.38 0.57 4.21 -0.93 -1.13 115.58 119.52 3hix h ASN 92 Ca 0.22 -0.08 0.03 0.00 1.21 0.00 0.00 56.30 57.68 3hix h ASN 92 Cb -0.09 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 36.88 3hix h ASN 92 CO -0.05 0.65 0.18 -0.07 -1.29 0.00 0.00 177.43 176.84 3hix h LEU 93 N 0.89 0.24 -0.56 1.61 4.07 -0.76 0.23 115.31 121.03 3hix h LEU 93 Ca 0.23 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.16 3hix h LEU 93 Cb 0.01 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 3hix h LEU 93 CO -0.04 0.18 0.14 -0.07 -1.08 0.00 0.00 178.44 177.57 3hix h LEU 94 N 0.36 0.85 -0.14 1.67 3.38 -1.10 -0.98 115.31 119.35 3hix h LEU 94 Ca 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hix h LEU 94 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3hix h LEU 94 CO -0.13 0.86 0.04 0.03 0.09 0.00 0.00 178.44 179.34 3hix h ARG 95 N 0.80 0.22 0.00 1.13 3.08 -0.75 -0.95 114.38 117.92 3hix h ARG 95 Ca 0.18 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3hix h ARG 95 Cb 0.34 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3hix h ARG 95 CO 0.00 0.35 -0.03 0.77 -1.07 0.00 0.00 179.97 179.99 3hix h SER 96 N 0.05 0.00 -0.04 7.04 0.02 -0.43 0.30 113.55 120.49 3hix h SER 96 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3hix h SER 96 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3hix h SER 96 CO -0.00 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 3hix n ALA 97 N -2.36 2.60 0.00 3.77 0.00 -0.38 -4.91 120.51 119.23 3hix n ALA 97 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3hix n ALA 97 Cb 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3hix n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hix n GLY 98 N 0.97 0.26 3.71 0.00 0.00 0.09 -5.04 105.19 105.18 3hix n GLY 98 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hix n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hix s PHE 99 N -2.00 3.03 0.06 1.61 0.08 -0.43 -4.88 117.98 115.45 3hix s PHE 99 Ca 0.00 0.69 -0.09 0.00 0.12 0.00 0.00 56.93 57.65 3hix s PHE 99 Cb 0.00 -3.85 -0.31 0.00 -0.57 0.00 0.00 43.02 38.29 3hix s PHE 99 CO 0.00 -3.12 1.09 0.93 -0.10 0.00 0.00 175.22 174.02 3hix h GLU 100 N 7.03 0.40 -3.10 0.44 5.08 -1.21 -3.40 114.58 119.83 3hix h GLU 100 Ca -0.42 -0.66 -0.62 0.00 -1.00 0.00 0.00 59.36 56.65 3hix h GLU 100 Cb 1.20 0.25 -0.40 0.00 0.50 0.00 0.00 28.75 30.30 3hix h GLU 100 CO 0.90 1.32 -0.69 -1.01 -1.00 0.00 0.00 179.01 178.52 3hix s HIS 101 N -2.65 2.51 -0.11 4.33 3.76 -1.26 -5.08 115.29 116.79 3hix s HIS 101 Ca -0.06 -2.77 0.04 0.00 -0.15 0.00 0.00 55.06 52.11 3hix s HIS 101 Cb 0.06 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.51 3hix s HIS 101 CO 0.91 -0.74 -0.23 0.08 -0.85 0.00 0.00 174.74 173.91 3hix s VAL 102 N -0.08 2.11 0.13 -0.90 1.01 -1.26 -0.82 120.40 120.58 3hix s VAL 102 Ca 0.19 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3hix s VAL 102 Cb -0.21 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3hix s VAL 102 CO -0.03 0.56 -0.16 -0.44 0.00 0.00 0.00 175.10 175.03 3hix s SER 103 N 0.43 2.25 -0.05 3.32 0.01 0.76 -5.00 113.70 115.42 3hix s SER 103 Ca -0.16 -0.80 -0.14 0.00 1.31 0.00 0.00 55.95 56.16 3hix s SER 103 Cb -0.17 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 3hix s SER 103 CO 0.07 -0.08 0.37 -1.61 0.41 0.00 0.00 173.24 172.40 3hix s GLU 104 N -2.55 3.96 -0.53 12.44 2.02 -1.26 -0.43 118.70 132.36 3hix s GLU 104 Ca 0.10 0.31 -0.18 0.00 0.02 0.00 0.00 54.97 55.22 3hix s GLU 104 Cb -0.06 -3.27 0.09 0.00 0.10 0.00 0.00 34.13 30.98 3hix s GLU 104 CO 0.04 0.57 0.58 -0.51 0.02 0.00 0.00 175.26 175.96 3hix s LEU 105 N -0.64 5.45 0.03 1.80 1.43 0.15 -4.85 118.68 122.05 3hix s LEU 105 Ca 0.22 -1.31 -0.30 0.00 -1.03 0.00 0.00 54.13 51.71 3hix s LEU 105 Cb -0.15 -2.30 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 3hix s LEU 105 CO 0.11 -0.90 1.77 -0.75 0.23 0.00 0.00 176.35 176.81 3hix s LYS 106 N 2.25 4.17 0.00 1.70 2.20 -1.26 -2.39 119.74 126.40 3hix s LYS 106 Ca 0.09 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 3hix s LYS 106 Cb -0.24 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 3hix s LYS 106 CO 0.08 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 3hix n GLY 107 N 4.23 1.22 7.00 5.54 0.00 -1.26 -4.76 105.19 117.15 3hix n GLY 107 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hix n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hix n GLY 108 N -2.00 1.54 0.36 -0.02 0.00 -1.01 -2.81 105.19 101.25 3hix n GLY 108 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 3hix n GLY 108 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hix h LEU 109 N 0.00 1.09 -0.40 0.99 5.85 -1.91 -2.47 115.31 118.45 3hix h LEU 109 Ca 0.00 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3hix h LEU 109 Cb 0.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 3hix h LEU 109 CO 0.00 0.85 0.23 0.00 -0.34 0.00 0.00 178.44 179.18 3hix h ALA 110 N 1.33 0.51 -0.26 1.25 0.00 -1.97 -0.56 119.26 119.56 3hix h ALA 110 Ca 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3hix h ALA 110 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hix h ALA 110 CO -0.06 0.02 -0.13 0.00 0.00 0.00 0.00 179.25 179.09 3hix h ALA 111 N 1.09 1.30 -0.37 0.00 0.00 -1.35 -1.10 119.26 118.83 3hix h ALA 111 Ca 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3hix h ALA 111 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hix h ALA 111 CO -0.02 0.46 0.06 2.35 0.00 0.00 0.00 179.25 182.10 3hix h TRP 112 N 0.40 0.66 -0.04 0.00 2.91 -1.07 -2.75 115.95 116.05 3hix h TRP 112 Ca 0.08 -0.09 -0.16 0.00 1.13 0.00 0.00 58.89 59.85 3hix h TRP 112 Cb 0.47 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 3hix h TRP 112 CO 0.01 0.66 -0.68 -0.22 -1.03 0.00 0.00 178.44 177.19 3hix h LYS 113 N 0.46 0.21 0.00 2.65 3.64 -0.87 -0.42 116.57 122.24 3hix h LYS 113 Ca 0.11 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3hix h LYS 113 Cb 0.36 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3hix h LYS 113 CO 0.01 0.80 -0.26 0.00 -2.27 0.00 0.00 179.45 177.73 3hix h ALA 114 N 1.15 1.44 -0.03 5.00 0.00 -1.04 -1.74 119.26 124.04 3hix h ALA 114 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hix h ALA 114 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hix h ALA 114 CO 0.10 0.33 0.00 0.44 0.00 0.00 0.00 179.25 180.12 3hix n ILE 115 N -4.04 0.01 -0.37 0.00 -5.35 -1.05 -4.92 119.36 103.65 3hix n ILE 115 Ca -0.02 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3hix n ILE 115 Cb 0.33 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 3hix n ILE 115 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hix n GLY 116 N 1.20 0.77 3.67 3.28 0.00 -0.65 -5.06 105.19 108.41 3hix n GLY 116 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3hix n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hix n GLY 117 N -2.23 0.23 3.72 -0.02 0.00 -0.19 -4.93 105.19 101.77 3hix n GLY 117 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3hix n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hix s PRO 118 N -2.58 4.29 0.40 1.61 0.04 -1.26 -4.60 135.00 132.89 3hix s PRO 118 Ca 0.70 2.18 0.04 0.00 0.04 0.00 0.00 61.00 63.95 3hix s PRO 118 Cb -0.46 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 3hix s PRO 118 CO 0.51 -0.47 0.07 0.95 0.04 0.00 0.00 177.00 178.11 3hix s THR 119 N 0.92 1.00 0.10 1.26 -4.23 -1.26 -4.62 115.64 108.80 3hix s THR 119 Ca 0.65 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.99 3hix s THR 119 Cb -0.39 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 70.97 3hix s THR 119 CO 0.32 0.00 0.42 -1.61 -0.54 0.00 0.00 174.62 173.21 3hix s GLU 120 N -3.80 1.03 0.00 3.99 2.02 0.02 -4.96 118.70 117.00 3hix s GLU 120 Ca 0.26 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.67 3hix s GLU 120 Cb 0.05 0.46 0.00 0.00 0.10 0.00 0.00 34.13 34.74 3hix s GLU 120 CO 0.13 -0.39 0.00 1.28 0.02 0.00 0.00 175.26 176.30