#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4v s PHE 26 N 0.00 3.49 1.33 0.00 0.40 -1.26 -5.05 117.98 116.90 1i4v s PHE 26 Ca 0.00 1.14 -0.19 0.00 -0.60 0.00 0.00 56.93 57.27 1i4v s PHE 26 Cb 0.00 -2.83 0.34 0.00 0.51 0.00 0.00 43.02 41.04 1i4v s PHE 26 CO 0.00 -0.86 0.97 -2.14 0.70 0.00 0.00 175.22 173.89 1i4v s PRO 27 N -5.21 -2.22 0.19 0.24 0.02 -1.26 -5.06 135.00 121.70 1i4v s PRO 27 Ca 0.56 0.38 -0.24 0.00 0.02 0.00 0.00 61.00 61.72 1i4v s PRO 27 Cb -0.11 -1.44 0.05 0.00 0.02 0.00 0.00 34.50 33.02 1i4v s PRO 27 CO 0.52 -4.47 0.87 -1.12 -0.33 0.00 0.00 177.00 172.47 1i4v s SER 28 N -2.92 -0.22 -0.34 2.53 0.01 -1.26 -5.09 113.70 106.39 1i4v s SER 28 Ca 0.69 -0.45 -0.27 0.00 1.31 0.00 0.00 55.95 57.23 1i4v s SER 28 Cb -0.18 0.57 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 1i4v s SER 28 CO 0.60 -1.04 2.23 -2.84 0.41 0.00 0.00 173.24 172.60 1i4v s PRO 29 N -3.50 2.76 0.42 12.44 0.01 -1.26 -4.95 135.00 140.92 1i4v s PRO 29 Ca 0.11 1.68 0.06 0.00 0.01 0.00 0.00 61.00 62.87 1i4v s PRO 29 Cb -0.03 -4.43 -0.07 0.00 0.01 0.00 0.00 34.50 29.98 1i4v s PRO 29 CO 0.03 -2.53 0.03 0.00 0.01 0.00 0.00 177.00 174.53 1i4v s ALA 30 N 9.60 3.31 -1.29 -1.55 0.00 -1.26 -4.78 121.76 125.80 1i4v s ALA 30 Ca 0.96 -2.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 1i4v s ALA 30 Cb -0.25 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1i4v s ALA 30 CO 0.31 -0.12 0.66 0.00 0.00 0.00 0.00 175.76 176.61 1i4v n ALA 31 N -1.03 -2.13 -3.63 0.00 0.00 -1.26 -4.98 120.51 107.49 1i4v n ALA 31 Ca -0.06 -0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.01 1i4v n ALA 31 Cb 0.67 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.57 1i4v n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i4v s ASP 32 N -4.17 1.10 -1.41 0.00 1.01 -1.26 -4.88 116.67 107.06 1i4v s ASP 32 Ca 0.10 0.09 -0.06 0.00 0.71 0.00 0.00 52.55 53.40 1i4v s ASP 32 Cb -0.03 0.21 0.03 0.00 1.01 0.00 0.00 42.92 44.14 1i4v s ASP 32 CO 0.83 -0.27 0.79 -1.22 0.21 0.00 0.00 175.17 175.51 1i4v n TYR 33 N 5.32 -2.05 -1.32 4.23 4.02 -1.26 -4.87 117.16 121.23 1i4v n TYR 33 Ca -0.05 0.86 0.08 0.00 -0.01 0.00 0.00 57.90 58.78 1i4v n TYR 33 Cb 0.50 -4.18 0.12 0.00 -0.02 0.00 0.00 39.34 35.76 1i4v n TYR 33 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1i4v n VAL 34 N -4.45 1.57 -1.49 -0.72 0.24 -1.26 -5.06 118.33 107.16 1i4v n VAL 34 Ca -0.16 -1.98 -0.30 0.00 -2.04 0.00 0.00 64.34 59.86 1i4v n VAL 34 Cb 0.62 -0.09 0.20 0.00 -1.47 0.00 0.00 33.84 33.10 1i4v n VAL 34 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1i4v s GLU 35 N -2.38 -0.03 0.00 7.34 -6.30 -1.26 -5.07 118.70 111.01 1i4v s GLU 35 Ca 0.28 -0.12 0.00 0.00 -2.50 0.00 0.00 54.97 52.63 1i4v s GLU 35 Cb 0.25 -1.74 0.00 0.00 0.00 0.00 0.00 34.13 32.64 1i4v s GLU 35 CO 0.01 -2.91 0.00 0.94 0.02 0.00 0.00 175.26 173.32 1i4v n GLN 36 N -4.18 1.23 0.00 4.30 -0.06 -1.26 -5.06 117.38 112.35 1i4v n GLN 36 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 1i4v n GLN 36 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 1i4v n GLN 36 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1i4v n ARG 37 N -0.02 0.00 -2.73 3.69 5.12 -1.26 -5.00 116.66 116.46 1i4v n ARG 37 Ca 0.00 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 1i4v n ARG 37 Cb 0.00 -0.43 0.07 0.00 -1.16 0.00 0.00 32.46 30.94 1i4v n ARG 37 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 1i4v n ILE 38 N -2.49 0.00 -2.83 0.55 0.13 -1.26 -5.07 119.36 108.40 1i4v n ILE 38 Ca 0.00 -1.32 -0.44 0.00 -1.10 0.00 0.00 62.75 59.90 1i4v n ILE 38 Cb 0.25 1.41 -0.00 0.00 -0.84 0.00 0.00 39.64 40.46 1i4v n ILE 38 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1i4v s ASP 39 N -1.27 6.95 0.17 9.51 2.15 -1.26 -4.79 116.67 128.13 1i4v s ASP 39 Ca 0.28 -2.71 -0.09 0.00 0.43 0.00 0.00 52.55 50.46 1i4v s ASP 39 Cb 0.25 -2.46 0.04 0.00 -0.30 0.00 0.00 42.92 40.45 1i4v s ASP 39 CO -0.17 -0.92 1.57 0.25 -0.17 0.00 0.00 175.17 175.73 1i4v h LEU 40 N 10.68 1.00 -1.52 -1.34 5.85 -1.97 -0.29 115.31 127.72 1i4v h LEU 40 Ca 0.34 -0.37 0.23 0.00 0.84 0.00 0.00 57.88 58.92 1i4v h LEU 40 Cb 0.89 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1i4v h LEU 40 CO 1.30 1.16 0.63 -0.55 -0.34 0.00 0.00 178.44 180.64 1i4v h ASN 41 N 0.85 0.38 0.82 1.25 7.08 -1.96 0.49 115.58 124.49 1i4v h ASN 41 Ca 0.11 0.05 -0.11 0.00 -3.08 0.00 0.00 56.30 53.28 1i4v h ASN 41 Cb 0.77 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 36.97 1i4v h ASN 41 CO 0.06 0.13 -1.25 -0.61 -2.08 0.00 0.00 177.43 173.68 1i4v h GLN 42 N 0.37 0.00 0.24 4.14 5.75 -1.73 -2.86 115.11 121.02 1i4v h GLN 42 Ca 0.50 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.99 1i4v h GLN 42 Cb 1.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.88 1i4v h GLN 42 CO -0.19 0.18 -0.11 1.25 -2.65 0.00 0.00 178.83 177.31 1i4v h LEU 43 N 0.00 -0.27 -0.58 -2.39 6.46 0.18 -3.27 115.31 115.44 1i4v h LEU 43 Ca -0.10 0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.52 1i4v h LEU 43 Cb 1.37 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 41.35 1i4v h LEU 43 CO 0.03 -0.18 -0.71 -0.07 -0.62 0.00 0.00 178.44 176.89 1i4v h LEU 44 N -0.34 0.01 0.00 2.25 -0.00 -1.52 -3.46 115.31 112.26 1i4v h LEU 44 Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1i4v h LEU 44 Cb 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1i4v h LEU 44 CO 0.05 0.72 0.00 -0.38 -0.00 0.00 0.00 178.44 178.83 1i4v n ILE 45 N -3.70 0.00 -1.80 1.22 5.41 -1.08 -5.09 119.36 114.33 1i4v n ILE 45 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.70 1i4v n ILE 45 Cb 0.69 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.59 1i4v n ILE 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i4v n GLN 46 N 0.00 0.01 -4.19 0.38 6.02 -1.25 -4.56 117.38 113.80 1i4v n GLN 46 Ca 0.00 -0.57 -0.12 0.00 -0.01 0.00 0.00 57.00 56.31 1i4v n GLN 46 Cb 0.00 0.50 -0.10 0.00 1.02 0.00 0.00 30.24 31.66 1i4v n GLN 46 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1i4v s HIS 47 N 0.00 0.98 0.09 1.08 3.76 -1.26 -5.05 115.29 114.88 1i4v s HIS 47 Ca 0.00 -0.86 -0.21 0.00 -0.15 0.00 0.00 55.06 53.85 1i4v s HIS 47 Cb 0.00 -0.54 -0.10 0.00 1.11 0.00 0.00 32.58 33.05 1i4v s HIS 47 CO -0.00 -0.09 1.63 -1.00 -0.85 0.00 0.00 174.74 174.43 1i4v h PRO 48 N 2.98 0.24 -0.34 8.40 0.14 -2.01 -3.43 132.00 137.98 1i4v h PRO 48 Ca -0.36 -0.04 -0.10 0.00 0.14 0.00 0.00 66.00 65.64 1i4v h PRO 48 Cb 1.17 -0.04 -0.15 0.00 0.14 0.00 0.00 31.00 32.13 1i4v h PRO 48 CO 0.63 0.32 -0.29 -1.13 0.14 0.00 0.00 178.00 177.67 1i4v n SER 49 N -4.87 -2.29 -2.74 1.44 3.41 -1.26 -5.02 113.62 102.29 1i4v n SER 49 Ca -0.04 -2.16 -0.02 0.00 -0.26 0.00 0.00 58.87 56.38 1i4v n SER 49 Cb 0.12 1.25 0.09 0.00 -0.26 0.00 0.00 64.21 65.40 1i4v n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i4v n ALA 50 N 2.27 2.70 -2.76 7.33 0.00 -1.26 -5.11 120.51 123.68 1i4v n ALA 50 Ca 0.11 -1.82 -0.16 0.00 0.00 0.00 0.00 53.44 51.57 1i4v n ALA 50 Cb 0.63 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 19.10 1i4v n ALA 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i4v s THR 51 N -1.59 0.88 0.16 0.00 2.01 -1.26 -2.08 115.64 113.76 1i4v s THR 51 Ca 0.18 -1.19 0.09 0.00 0.31 0.00 0.00 61.69 61.08 1i4v s THR 51 Cb 0.40 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1i4v s THR 51 CO -0.08 -0.27 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.07 1i4v s TYR 52 N -1.28 1.88 0.16 4.92 1.51 0.27 -4.69 117.35 120.12 1i4v s TYR 52 Ca -0.05 -0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 55.52 1i4v s TYR 52 Cb -0.10 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.77 1i4v s TYR 52 CO 0.01 0.33 0.18 -0.59 -1.11 0.00 0.00 175.55 174.38 1i4v s PHE 53 N -1.81 0.67 -0.21 2.71 -0.12 -1.26 0.14 117.98 118.09 1i4v s PHE 53 Ca 0.14 -1.02 -0.19 0.00 -0.05 0.00 0.00 56.93 55.81 1i4v s PHE 53 Cb -0.07 -0.27 0.06 0.00 -0.63 0.00 0.00 43.02 42.10 1i4v s PHE 53 CO 0.07 -0.64 0.57 0.54 -0.05 0.00 0.00 175.22 175.70 1i4v s VAL 54 N -4.02 -0.00 0.14 -2.49 0.11 -1.06 -4.95 120.40 108.13 1i4v s VAL 54 Ca 0.23 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.98 1i4v s VAL 54 Cb 0.05 -0.79 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 1i4v s VAL 54 CO 0.02 0.00 1.22 -0.75 -3.33 0.00 0.00 175.10 172.27 1i4v s LYS 55 N 0.44 4.45 -0.50 1.54 2.36 -1.26 -2.09 119.74 124.68 1i4v s LYS 55 Ca -0.01 1.87 -0.24 0.00 -2.55 0.00 0.00 55.97 55.04 1i4v s LYS 55 Cb -0.04 -3.27 0.03 0.00 -1.05 0.00 0.00 37.83 33.50 1i4v s LYS 55 CO -0.01 -0.19 0.85 0.00 1.55 0.00 0.00 175.35 177.56 1i4v s ALA 56 N 0.44 3.24 -0.36 3.13 0.00 -1.08 -4.89 121.76 122.24 1i4v s ALA 56 Ca 0.56 -1.12 0.14 0.00 0.00 0.00 0.00 51.96 51.54 1i4v s ALA 56 Cb -0.32 -3.59 0.45 0.00 0.00 0.00 0.00 23.12 19.66 1i4v s ALA 56 CO 0.33 -2.13 1.00 0.45 0.00 0.00 0.00 175.76 175.41 1i4v n SER 57 N 7.03 2.43 0.00 0.00 2.88 -1.26 -2.58 113.62 122.12 1i4v n SER 57 Ca 0.02 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.55 1i4v n SER 57 Cb 0.48 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1i4v n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i4v n GLY 58 N -0.19 -1.21 0.39 0.46 0.00 -1.26 -4.86 105.19 98.51 1i4v n GLY 58 Ca 0.18 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.41 1i4v n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i4v n ASP 59 N 0.00 1.28 -0.81 1.61 5.75 -1.26 -2.58 116.55 120.54 1i4v n ASP 59 Ca 0.00 -2.65 0.10 0.00 -0.01 0.00 0.00 54.79 52.22 1i4v n ASP 59 Cb 0.00 -0.34 0.27 0.00 -1.03 0.00 0.00 41.12 40.03 1i4v n ASP 59 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1i4v n SER 60 N -0.71 2.40 -0.58 -1.12 3.41 -1.26 -4.18 113.62 111.57 1i4v n SER 60 Ca 0.09 -1.89 -0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1i4v n SER 60 Cb 0.71 -0.22 -0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1i4v n SER 60 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1i4v n MET 61 N 0.80 0.00 0.23 4.33 2.81 -1.26 -3.62 117.12 120.41 1i4v n MET 61 Ca 0.17 -0.51 0.18 0.00 -1.81 0.00 0.00 57.70 55.72 1i4v n MET 61 Cb 0.42 -0.14 0.86 0.00 -0.71 0.00 0.00 33.22 33.65 1i4v n MET 61 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1i4v h ILE 62 N 5.80 0.38 -0.68 2.02 2.04 -1.69 0.12 117.51 125.49 1i4v h ILE 62 Ca -0.05 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.01 1i4v h ILE 62 Cb 1.21 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1i4v h ILE 62 CO -0.02 0.00 0.63 -2.24 0.00 0.00 0.00 178.15 176.53 1i4v h ASP 63 N 0.00 0.00 0.15 1.72 3.04 -1.85 0.27 116.42 119.75 1i4v h ASP 63 Ca 0.07 0.00 -0.36 0.00 -3.24 0.00 0.00 57.03 53.50 1i4v h ASP 63 Cb 0.47 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.74 1i4v h ASP 63 CO -0.00 0.00 -2.00 0.61 -2.04 0.00 0.00 179.24 175.81 1i4v n GLY 64 N -1.60 -0.59 0.00 7.15 0.00 0.40 -4.84 105.19 105.72 1i4v n GLY 64 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1i4v n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4v n GLY 65 N 1.97 0.46 3.59 -0.02 0.00 0.94 -4.87 105.19 107.27 1i4v n GLY 65 Ca -0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1i4v n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i4v s ILE 66 N 0.00 3.54 -0.49 -0.61 -5.25 -1.25 -4.88 121.20 112.26 1i4v s ILE 66 Ca 0.00 0.52 0.08 0.00 -0.99 0.00 0.00 60.65 60.26 1i4v s ILE 66 Cb 0.00 -3.82 0.28 0.00 2.95 0.00 0.00 42.46 41.87 1i4v s ILE 66 CO 0.00 -0.59 0.69 -0.24 -1.79 0.00 0.00 174.94 173.01 1i4v n SER 67 N 10.44 1.96 -3.15 4.36 2.88 -1.26 -2.92 113.62 125.93 1i4v n SER 67 Ca 0.21 -3.11 -0.00 0.00 -1.33 0.00 0.00 58.87 54.64 1i4v n SER 67 Cb 0.48 -0.63 -0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1i4v n SER 67 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1i4v n ASP 68 N 0.80 -6.78 0.00 -3.46 2.03 -1.07 -4.71 116.55 103.37 1i4v n ASP 68 Ca 0.26 0.55 0.00 0.00 0.52 0.00 0.00 54.79 56.12 1i4v n ASP 68 Cb 0.50 -1.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 1i4v n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i4v n GLY 69 N 1.53 0.68 3.80 0.27 0.00 -1.06 -4.97 105.19 105.43 1i4v n GLY 69 Ca -0.00 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1i4v n GLY 69 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i4v s ASP 70 N -0.72 -0.03 -0.12 1.61 1.47 -1.26 -4.48 116.67 113.13 1i4v s ASP 70 Ca 0.00 -0.25 0.00 0.00 1.18 0.00 0.00 52.55 53.48 1i4v s ASP 70 Cb 0.00 0.22 0.02 0.00 -0.34 0.00 0.00 42.92 42.82 1i4v s ASP 70 CO 0.00 -0.42 -0.11 -0.22 0.68 0.00 0.00 175.17 175.10 1i4v s LEU 71 N -3.34 1.43 0.22 2.11 1.98 -1.08 -2.62 118.68 117.38 1i4v s LEU 71 Ca 0.21 -0.37 -0.20 0.00 -2.89 0.00 0.00 54.13 50.88 1i4v s LEU 71 Cb 0.02 -0.97 -0.08 0.00 0.66 0.00 0.00 46.19 45.81 1i4v s LEU 71 CO -0.01 -0.08 0.72 -0.22 -1.89 0.00 0.00 176.35 174.88 1i4v s LEU 72 N 1.50 4.33 -0.31 -0.68 0.20 -0.89 -1.41 118.68 121.42 1i4v s LEU 72 Ca 0.03 1.41 -0.01 0.00 0.69 0.00 0.00 54.13 56.25 1i4v s LEU 72 Cb -0.13 -3.60 0.10 0.00 -0.43 0.00 0.00 46.19 42.13 1i4v s LEU 72 CO -0.08 0.03 0.12 -0.63 -0.29 0.00 0.00 176.35 175.50 1i4v s ILE 73 N -1.54 0.60 0.17 6.68 -1.09 0.65 -2.56 121.20 124.12 1i4v s ILE 73 Ca 0.43 -1.30 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 1i4v s ILE 73 Cb -0.16 -1.46 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 1i4v s ILE 73 CO 0.21 -0.72 0.28 0.54 -1.23 0.00 0.00 174.94 174.01 1i4v s VAL 74 N 1.66 5.19 -0.40 2.92 0.11 0.37 0.84 120.40 131.09 1i4v s VAL 74 Ca 0.10 -0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 58.34 1i4v s VAL 74 Cb -0.18 -3.70 0.11 0.00 -1.53 0.00 0.00 36.38 31.09 1i4v s VAL 74 CO -0.26 -0.14 0.17 -1.81 -3.33 0.00 0.00 175.10 169.73 1i4v s ASP 75 N -3.36 5.11 -0.69 3.54 1.11 -1.14 0.95 116.67 122.19 1i4v s ASP 75 Ca 0.34 -2.10 -0.26 0.00 0.18 0.00 0.00 52.55 50.71 1i4v s ASP 75 Cb -0.10 -1.77 0.04 0.00 1.07 0.00 0.00 42.92 42.15 1i4v s ASP 75 CO 0.28 -0.49 1.18 -0.94 1.18 0.00 0.00 175.17 176.38 1i4v s SER 76 N 1.51 6.22 0.04 0.27 1.04 -0.89 -1.57 113.70 120.32 1i4v s SER 76 Ca 0.09 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1i4v s SER 76 Cb -0.22 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1i4v s SER 76 CO -0.05 -1.67 0.00 0.00 0.98 0.00 0.00 173.24 172.50 1i4v n ALA 77 N 8.78 0.00 -1.98 5.32 0.00 -1.25 -4.10 120.51 127.28 1i4v n ALA 77 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 1i4v n ALA 77 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 1i4v n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i4v s ILE 78 N -2.00 2.72 -0.25 0.00 1.09 -1.26 -5.00 121.20 116.51 1i4v s ILE 78 Ca 0.00 -0.74 -0.12 0.00 -1.10 0.00 0.00 60.65 58.69 1i4v s ILE 78 Cb 0.00 -2.98 -0.05 0.00 -1.06 0.00 0.00 42.46 38.37 1i4v s ILE 78 CO 0.00 0.00 0.21 -0.89 -0.10 0.00 0.00 174.94 174.16 1i4v s THR 79 N -2.68 5.32 0.00 2.92 2.01 -1.26 -3.71 115.64 118.23 1i4v s THR 79 Ca 0.57 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1i4v s THR 79 Cb -0.10 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1i4v s THR 79 CO 0.37 0.30 0.00 0.00 -0.69 0.00 0.00 174.62 174.60 1i4v n ALA 80 N 4.57 0.00 -3.12 7.40 0.00 -1.11 -4.90 120.51 123.34 1i4v n ALA 80 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1i4v n ALA 80 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1i4v n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i4v s SER 81 N -1.29 -0.02 0.47 0.00 0.01 -1.26 -5.05 113.70 106.56 1i4v s SER 81 Ca 0.00 -0.13 -0.24 0.00 1.31 0.00 0.00 55.95 56.89 1i4v s SER 81 Cb 0.00 0.23 -0.08 0.00 0.21 0.00 0.00 66.02 66.38 1i4v s SER 81 CO 0.00 -0.36 1.30 1.41 0.41 0.00 0.00 173.24 176.00 1i4v n HIS 82 N 1.54 2.17 -1.93 2.43 8.25 -1.26 -3.20 115.22 123.22 1i4v n HIS 82 Ca -0.22 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1i4v n HIS 82 Cb 0.56 -2.37 0.00 0.00 1.12 0.00 0.00 29.99 29.30 1i4v n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i4v n GLY 83 N 0.80 0.91 3.25 -1.41 0.00 -1.20 -4.98 105.19 102.56 1i4v n GLY 83 Ca 0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1i4v n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i4v s ASP 84 N -2.81 -0.29 -1.12 1.61 1.11 -1.19 -5.01 116.67 108.97 1i4v s ASP 84 Ca 0.00 0.42 -0.24 0.00 0.18 0.00 0.00 52.55 52.91 1i4v s ASP 84 Cb 0.00 0.53 -0.15 0.00 1.07 0.00 0.00 42.92 44.37 1i4v s ASP 84 CO 0.00 -0.29 2.00 0.00 1.18 0.00 0.00 175.17 178.06 1i4v n ILE 85 N 2.09 1.17 -4.51 0.77 3.06 -1.26 -3.56 119.36 117.12 1i4v n ILE 85 Ca -0.17 -1.21 -0.25 0.00 -2.50 0.00 0.00 62.75 58.62 1i4v n ILE 85 Cb 0.57 -2.11 -0.10 0.00 0.54 0.00 0.00 39.64 38.54 1i4v n ILE 85 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1i4v s VAL 86 N 13.23 2.31 -0.15 9.51 -7.23 -1.17 -4.37 120.40 132.52 1i4v s VAL 86 Ca 0.73 -2.29 -0.19 0.00 -1.81 0.00 0.00 61.98 58.43 1i4v s VAL 86 Cb -0.01 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1i4v s VAL 86 CO 0.16 -0.29 0.52 -0.51 -0.31 0.00 0.00 175.10 174.67 1i4v s ILE 87 N -2.59 5.13 0.55 -0.62 2.07 -1.26 -2.83 121.20 121.66 1i4v s ILE 87 Ca 0.31 1.02 -0.01 0.00 -1.41 0.00 0.00 60.65 60.55 1i4v s ILE 87 Cb -0.01 -3.86 0.02 0.00 0.13 0.00 0.00 42.46 38.75 1i4v s ILE 87 CO 0.16 0.25 0.80 0.00 -1.91 0.00 0.00 174.94 174.23 1i4v s ALA 88 N 1.11 3.66 -0.17 1.50 0.00 -1.08 -1.07 121.76 125.70 1i4v s ALA 88 Ca 0.26 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1i4v s ALA 88 Cb -0.15 -2.25 0.06 0.00 0.00 0.00 0.00 23.12 20.77 1i4v s ALA 88 CO 0.11 -0.73 0.43 0.00 0.00 0.00 0.00 175.76 175.57 1i4v s ALA 89 N -2.81 -1.09 -0.20 0.00 0.00 0.15 -2.72 121.76 115.10 1i4v s ALA 89 Ca 0.55 1.51 -0.08 0.00 0.00 0.00 0.00 51.96 53.93 1i4v s ALA 89 Cb -0.10 -0.91 0.08 0.00 0.00 0.00 0.00 23.12 22.19 1i4v s ALA 89 CO 0.40 -0.26 0.44 0.54 0.00 0.00 0.00 175.76 176.88 1i4v s VAL 90 N 1.17 -0.44 -1.59 0.00 0.11 -1.24 -2.77 120.40 115.63 1i4v s VAL 90 Ca -0.08 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1i4v s VAL 90 Cb -0.07 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1i4v s VAL 90 CO -0.10 0.06 0.00 0.47 -3.33 0.00 0.00 175.10 172.19 1i4v n ASP 91 N 5.00 -4.42 -0.06 3.54 8.00 -1.26 -1.27 116.55 126.09 1i4v n ASP 91 Ca -0.14 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1i4v n ASP 91 Cb 0.52 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 1i4v n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4v n GLY 92 N -0.51 1.27 3.84 0.44 0.00 -1.26 -5.09 105.19 103.88 1i4v n GLY 92 Ca -0.17 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 1i4v n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i4v s GLU 93 N -1.97 2.84 -0.16 1.61 2.02 -0.39 -5.11 118.70 117.52 1i4v s GLU 93 Ca 0.00 -1.16 -0.05 0.00 0.02 0.00 0.00 54.97 53.78 1i4v s GLU 93 Cb 0.00 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.76 1i4v s GLU 93 CO 0.00 0.26 0.09 -0.06 0.02 0.00 0.00 175.26 175.57 1i4v s PHE 94 N -2.21 0.19 0.33 1.61 0.08 -1.26 -3.69 117.98 113.03 1i4v s PHE 94 Ca 0.37 -0.28 0.09 0.00 0.12 0.00 0.00 56.93 57.23 1i4v s PHE 94 Cb -0.07 -0.68 -0.05 0.00 -0.57 0.00 0.00 43.02 41.65 1i4v s PHE 94 CO 0.26 -0.49 0.05 0.95 -0.10 0.00 0.00 175.22 175.89 1i4v s THR 95 N 2.14 2.87 -0.36 0.64 -4.23 -1.10 -4.93 115.64 110.67 1i4v s THR 95 Ca 0.02 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1i4v s THR 95 Cb -0.16 -2.86 0.12 0.00 1.34 0.00 0.00 72.50 70.94 1i4v s THR 95 CO -0.09 -0.22 0.16 -0.69 -0.54 0.00 0.00 174.62 173.24 1i4v s VAL 96 N -2.46 0.96 0.00 2.29 1.01 -1.26 -2.65 120.40 118.29 1i4v s VAL 96 Ca 0.35 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1i4v s VAL 96 Cb -0.02 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1i4v s VAL 96 CO 0.20 -0.79 0.00 1.17 0.00 0.00 0.00 175.10 175.68 1i4v n LYS 97 N 4.30 -2.23 -3.02 2.72 0.00 -1.13 -4.28 118.16 114.53 1i4v n LYS 97 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.92 1i4v n LYS 97 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.36 1i4v n LYS 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1i4v s LYS 98 N -2.00 3.66 0.15 1.64 1.02 -1.23 -3.06 119.74 119.92 1i4v s LYS 98 Ca 0.00 0.13 0.09 0.00 0.02 0.00 0.00 55.97 56.21 1i4v s LYS 98 Cb 0.00 -3.83 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 1i4v s LYS 98 CO 0.00 -0.85 -0.14 -0.48 -0.92 0.00 0.00 175.35 172.96 1i4v s LEU 99 N 2.97 2.84 -0.11 3.17 2.34 -1.26 -4.70 118.68 123.93 1i4v s LEU 99 Ca 0.28 -0.58 0.02 0.00 0.06 0.00 0.00 54.13 53.91 1i4v s LEU 99 Cb -0.14 -1.59 -0.01 0.00 -0.56 0.00 0.00 46.19 43.90 1i4v s LEU 99 CO 0.17 0.14 -0.17 -1.10 -1.06 0.00 0.00 176.35 174.33 1i4v s GLN 100 N -2.53 3.20 0.00 1.48 -0.21 -1.11 -3.22 119.66 117.27 1i4v s GLN 100 Ca 0.22 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.84 1i4v s GLN 100 Cb -0.09 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.42 1i4v s GLN 100 CO 0.13 0.23 0.00 1.28 -2.12 0.00 0.00 175.29 174.81 1i4v n LEU 101 N 3.43 0.00 -0.05 2.90 4.77 -1.20 -1.90 117.00 124.96 1i4v n LEU 101 Ca -0.18 -0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 55.43 1i4v n LEU 101 Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1i4v n LEU 101 CO 0.29 0.00 -0.06 0.03 -1.33 0.00 0.00 177.39 176.32 1i4v h ARG 102 N 0.00 0.00 0.21 3.23 -0.00 -1.98 -3.39 114.38 112.45 1i4v h ARG 102 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1i4v h ARG 102 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1i4v h ARG 102 CO 0.00 0.00 -0.10 -1.00 0.00 0.00 0.00 179.97 178.87 1i4v h PRO 103 N -1.00 -0.27 -3.40 0.04 0.13 -2.02 -3.46 132.00 122.02 1i4v h PRO 103 Ca -0.00 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.07 1i4v h PRO 103 Cb 0.10 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 31.14 1i4v h PRO 103 CO -0.00 -0.08 -0.20 0.99 -0.23 0.00 0.00 178.00 178.48 1i4v s THR 104 N -5.59 0.09 -0.63 1.56 2.01 -1.26 -5.11 115.64 106.71 1i4v s THR 104 Ca -0.15 -0.72 -0.22 0.00 0.31 0.00 0.00 61.69 60.90 1i4v s THR 104 Cb 0.04 -1.09 0.07 0.00 0.01 0.00 0.00 72.50 71.52 1i4v s THR 104 CO 0.63 -0.40 0.93 0.68 -0.69 0.00 0.00 174.62 175.77 1i4v s VAL 105 N -3.19 4.39 -0.03 3.82 -7.23 -1.26 -3.22 120.40 113.69 1i4v s VAL 105 Ca -0.01 -0.27 -0.04 0.00 -1.81 0.00 0.00 61.98 59.85 1i4v s VAL 105 Cb 0.01 -4.63 0.01 0.00 0.56 0.00 0.00 36.38 32.33 1i4v s VAL 105 CO -0.07 -1.34 0.10 -1.10 -0.31 0.00 0.00 175.10 172.37 1i4v s GLN 106 N 3.91 0.22 -0.01 4.82 -0.21 -0.80 -2.46 119.66 125.14 1i4v s GLN 106 Ca 0.23 -0.04 -0.08 0.00 0.02 0.00 0.00 55.36 55.48 1i4v s GLN 106 Cb -0.16 0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.95 1i4v s GLN 106 CO 0.12 -0.04 0.16 -1.17 -2.12 0.00 0.00 175.29 172.24 1i4v s LEU 107 N -0.40 1.46 -0.44 2.90 2.96 -1.11 -2.76 118.68 121.29 1i4v s LEU 107 Ca -0.05 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.79 1i4v s LEU 107 Cb -0.03 0.73 0.17 0.00 0.50 0.00 0.00 46.19 47.56 1i4v s LEU 107 CO 0.00 -0.35 0.53 -0.51 -1.32 0.00 0.00 176.35 174.71 1i4v s ILE 108 N -1.25 -0.54 0.00 6.68 1.10 -1.26 -2.72 121.20 123.21 1i4v s ILE 108 Ca -0.13 -1.18 0.00 0.00 -0.51 0.00 0.00 60.65 58.83 1i4v s ILE 108 Cb -0.07 -0.44 0.00 0.00 0.15 0.00 0.00 42.46 42.10 1i4v s ILE 108 CO 0.02 -0.42 0.00 -0.81 -2.11 0.00 0.00 174.94 171.61 1i4v n PRO 109 N 3.52 1.39 -0.95 3.50 -0.05 -1.26 -4.78 135.00 136.36 1i4v n PRO 109 Ca 0.18 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.65 1i4v n PRO 109 Cb 0.51 0.00 -0.01 0.00 -0.05 0.00 0.00 33.50 33.95 1i4v n PRO 109 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 175.50 174.12 1i4v n MET 110 N 0.00 -2.44 0.00 0.54 2.81 -1.24 -4.31 117.12 112.48 1i4v n MET 110 Ca 0.00 1.92 0.00 0.00 -1.81 0.00 0.00 57.70 57.81 1i4v n MET 110 Cb 0.00 -2.46 0.00 0.00 -0.71 0.00 0.00 33.22 30.05 1i4v n MET 110 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i4v n ASN 111 N -2.46 0.00 0.10 7.83 2.85 -1.26 -4.54 115.26 117.79 1i4v n ASN 111 Ca -0.01 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.24 1i4v n ASN 111 Cb 0.33 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.22 1i4v n ASN 111 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1i4v h SER 112 N 0.00 0.82 -0.76 1.20 4.64 -1.94 -3.33 113.55 114.18 1i4v h SER 112 Ca 0.00 -0.78 -0.69 0.00 -0.47 0.00 0.00 61.79 59.86 1i4v h SER 112 Cb 0.00 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 61.75 1i4v h SER 112 CO 0.00 1.59 2.64 0.00 -0.87 0.00 0.00 176.83 180.19 1i4v n ALA 113 N -2.67 7.01 -2.13 5.18 0.00 -1.26 -4.95 120.51 121.69 1i4v n ALA 113 Ca -0.13 -3.78 -0.42 0.00 0.00 0.00 0.00 53.44 49.11 1i4v n ALA 113 Cb 1.00 -2.90 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 1i4v n ALA 113 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1i4v s TYR 114 N -0.12 2.27 -0.55 0.00 1.13 -1.25 -4.75 117.35 114.08 1i4v s TYR 114 Ca 0.60 0.45 -0.03 0.00 -1.41 0.00 0.00 57.07 56.68 1i4v s TYR 114 Cb 0.20 -3.79 0.14 0.00 -1.10 0.00 0.00 41.96 37.42 1i4v s TYR 114 CO -0.09 -3.18 0.36 -1.12 -2.51 0.00 0.00 175.55 169.01 1i4v s SER 115 N 2.86 5.21 0.09 -0.18 0.01 -1.26 -5.06 113.70 115.37 1i4v s SER 115 Ca 0.68 -2.61 -0.32 0.00 1.31 0.00 0.00 55.95 55.01 1i4v s SER 115 Cb -0.30 -1.84 -0.11 0.00 0.21 0.00 0.00 66.02 63.98 1i4v s SER 115 CO 0.25 -0.42 1.83 -2.65 0.41 0.00 0.00 173.24 172.67 1i4v n PRO 116 N 3.82 2.64 -3.90 12.44 -0.01 -1.26 -4.72 135.00 144.01 1i4v n PRO 116 Ca 0.05 0.96 -0.16 0.00 -0.01 0.00 0.00 63.50 64.34 1i4v n PRO 116 Cb 0.39 -2.84 -0.16 0.00 -0.01 0.00 0.00 33.50 30.88 1i4v n PRO 116 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 175.50 173.99 1i4v s ILE 117 N 2.94 0.12 0.25 4.25 1.10 -1.10 -5.06 121.20 123.69 1i4v s ILE 117 Ca 0.84 0.10 -0.12 0.00 -0.51 0.00 0.00 60.65 60.96 1i4v s ILE 117 Cb -0.53 -0.21 -0.08 0.00 0.15 0.00 0.00 42.46 41.79 1i4v s ILE 117 CO 0.40 0.12 0.61 0.28 -2.11 0.00 0.00 174.94 174.24 1i4v s THR 118 N 0.90 4.83 0.39 4.00 -1.32 -1.26 -2.75 115.64 120.43 1i4v s THR 118 Ca -0.09 0.68 0.05 0.00 -1.21 0.00 0.00 61.69 61.12 1i4v s THR 118 Cb -0.12 -3.63 -0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1i4v s THR 118 CO -0.02 -0.07 0.56 -0.63 -2.21 0.00 0.00 174.62 172.24 1i4v s ILE 119 N -1.83 3.74 0.41 5.08 1.01 -1.03 -4.98 121.20 123.60 1i4v s ILE 119 Ca 0.49 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 1i4v s ILE 119 Cb -0.11 -3.31 0.10 0.00 0.01 0.00 0.00 42.46 39.14 1i4v s ILE 119 CO 0.20 -0.15 0.22 -0.24 0.00 0.00 0.00 174.94 174.97 1i4v n SER 120 N -1.83 -2.29 -4.02 3.58 2.88 -1.26 -4.59 113.62 106.09 1i4v n SER 120 Ca 0.02 -0.23 -0.35 0.00 -1.33 0.00 0.00 58.87 56.98 1i4v n SER 120 Cb 0.58 -0.29 -0.08 0.00 -0.75 0.00 0.00 64.21 63.68 1i4v n SER 120 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1i4v n SER 121 N -2.91 2.29 -3.69 -3.46 2.88 -1.26 -4.05 113.62 103.43 1i4v n SER 121 Ca 0.04 -2.63 -0.24 0.00 -1.33 0.00 0.00 58.87 54.71 1i4v n SER 121 Cb 0.15 -1.28 0.03 0.00 -0.75 0.00 0.00 64.21 62.37 1i4v n SER 121 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1i4v n GLU 122 N 7.72 -3.56 0.00 -1.46 4.07 -1.26 -4.95 120.64 121.20 1i4v n GLU 122 Ca 0.47 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 58.14 1i4v n GLU 122 Cb 0.43 -4.90 0.00 0.00 -0.06 0.00 0.00 31.44 26.91 1i4v n GLU 122 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1i4v n ASP 123 N -2.97 0.00 -3.16 4.31 8.00 -1.26 -4.84 116.55 116.62 1i4v n ASP 123 Ca -0.23 0.24 -0.17 0.00 0.71 0.00 0.00 54.79 55.34 1i4v n ASP 123 Cb 0.65 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.70 1i4v n ASP 123 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i4v s THR 124 N -0.48 -0.23 -0.23 -3.53 2.01 -1.26 -5.09 115.64 106.82 1i4v s THR 124 Ca 0.00 -1.84 -0.00 0.00 0.31 0.00 0.00 61.69 60.16 1i4v s THR 124 Cb 0.00 -0.73 0.06 0.00 0.01 0.00 0.00 72.50 71.85 1i4v s THR 124 CO 0.00 -0.71 -0.02 -0.22 -0.69 0.00 0.00 174.62 172.97 1i4v s LEU 125 N 0.53 2.27 0.01 4.42 1.98 -1.26 -4.25 118.68 122.39 1i4v s LEU 125 Ca 0.30 -1.13 -0.09 0.00 -2.89 0.00 0.00 54.13 50.31 1i4v s LEU 125 Cb -0.00 -1.04 0.01 0.00 0.66 0.00 0.00 46.19 45.82 1i4v s LEU 125 CO -0.12 -0.26 0.19 -0.62 -1.89 0.00 0.00 176.35 173.64 1i4v s ASP 126 N 1.50 -0.01 0.59 3.68 -1.08 -1.12 -4.96 116.67 115.29 1i4v s ASP 126 Ca -0.04 -0.20 -0.17 0.00 -0.52 0.00 0.00 52.55 51.62 1i4v s ASP 126 Cb -0.18 0.25 -0.03 0.00 -1.46 0.00 0.00 42.92 41.49 1i4v s ASP 126 CO -0.07 -0.44 1.10 -0.69 0.52 0.00 0.00 175.17 175.59 1i4v s VAL 127 N -1.72 3.38 -0.12 1.11 1.01 -1.26 -0.67 120.40 122.12 1i4v s VAL 127 Ca -0.12 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 1i4v s VAL 127 Cb -0.05 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1i4v s VAL 127 CO 0.01 -0.31 -0.21 0.33 0.00 0.00 0.00 175.10 174.91 1i4v n PHE 128 N -1.86 0.24 -0.28 5.22 7.35 -0.24 -4.82 117.46 123.08 1i4v n PHE 128 Ca 0.10 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1i4v n PHE 128 Cb 0.52 -0.46 0.00 0.00 0.35 0.00 0.00 39.48 39.89 1i4v n PHE 128 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1i4v n GLY 129 N 1.53 1.62 0.36 7.13 0.00 -1.26 -3.84 105.19 110.74 1i4v n GLY 129 Ca -0.08 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1i4v n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i4v n VAL 130 N 0.00 0.00 -3.64 1.61 3.14 -0.61 -2.77 118.33 116.07 1i4v n VAL 130 Ca 0.00 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1i4v n VAL 130 Cb 0.00 0.25 -0.01 0.00 -1.06 0.00 0.00 33.84 33.02 1i4v n VAL 130 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1i4v s VAL 131 N 0.00 0.00 -0.47 1.55 0.11 -1.26 -4.78 120.40 115.56 1i4v s VAL 131 Ca 0.00 -0.26 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1i4v s VAL 131 Cb 0.00 -1.84 0.18 0.00 -1.53 0.00 0.00 36.38 33.19 1i4v s VAL 131 CO 0.00 0.00 0.55 -0.63 -3.33 0.00 0.00 175.10 171.69 1i4v s ILE 132 N -2.59 -0.42 0.20 7.04 1.09 -1.25 -2.87 121.20 122.39 1i4v s ILE 132 Ca 0.13 -1.65 -0.30 0.00 -1.10 0.00 0.00 60.65 57.73 1i4v s ILE 132 Cb 0.03 -0.54 -0.09 0.00 -1.06 0.00 0.00 42.46 40.79 1i4v s ILE 132 CO -0.03 -0.53 1.42 -1.00 -0.10 0.00 0.00 174.94 174.69 1i4v s HIS 133 N 0.59 3.13 -0.27 3.97 3.76 0.25 -4.70 115.29 122.02 1i4v s HIS 133 Ca 0.30 0.99 -0.10 0.00 -0.15 0.00 0.00 55.06 56.11 1i4v s HIS 133 Cb 0.01 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.90 1i4v s HIS 133 CO -0.11 -2.55 0.15 0.08 -0.85 0.00 0.00 174.74 171.46 1i4v s VAL 134 N 0.42 4.98 -0.60 -0.90 1.01 -1.26 -0.25 120.40 123.80 1i4v s VAL 134 Ca 0.61 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 1i4v s VAL 134 Cb -0.40 -3.35 0.14 0.00 0.00 0.00 0.00 36.38 32.77 1i4v s VAL 134 CO 0.38 0.29 0.57 -0.69 0.00 0.00 0.00 175.10 175.64 1i4v s VAL 135 N 1.65 5.25 -0.57 2.92 1.01 -0.50 -4.99 120.40 125.17 1i4v s VAL 135 Ca 0.07 -1.63 -0.28 0.00 0.00 0.00 0.00 61.98 60.14 1i4v s VAL 135 Cb -0.15 -4.38 0.03 0.00 0.00 0.00 0.00 36.38 31.88 1i4v s VAL 135 CO 0.08 -0.92 1.20 -0.75 0.00 0.00 0.00 175.10 174.71 1i4v s LYS 136 N 1.44 3.52 -0.37 2.72 2.20 -1.26 -2.64 119.74 125.36 1i4v s LYS 136 Ca 0.06 0.29 -0.27 0.00 -0.36 0.00 0.00 55.97 55.69 1i4v s LYS 136 Cb -0.26 -4.01 -0.05 0.00 -1.51 0.00 0.00 37.83 32.00 1i4v s LYS 136 CO 0.01 -1.67 2.21 0.00 -0.36 0.00 0.00 175.35 175.54 1i4v s ALA 137 N 4.99 2.29 -0.34 3.13 0.00 -1.26 -4.92 121.76 125.64 1i4v s ALA 137 Ca 0.44 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1i4v s ALA 137 Cb -0.08 -4.19 0.09 0.00 0.00 0.00 0.00 23.12 18.95 1i4v s ALA 137 CO 0.26 -3.49 0.06 1.41 0.00 0.00 0.00 175.76 174.00 1i4v s MET 138 N 7.04 1.86 0.00 0.00 1.75 -1.26 -5.07 119.30 123.62 1i4v s MET 138 Ca 0.94 -1.70 0.07 0.00 -1.25 0.00 0.00 55.69 53.75 1i4v s MET 138 Cb -0.24 -3.25 0.05 0.00 2.84 0.00 0.00 34.83 34.23 1i4v s MET 138 CO 0.30 -0.87 0.72 2.89 -0.65 0.00 0.00 175.02 177.41