#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 -1.37 1.38 0.00 5.36 -1.26 -5.15 117.98 116.94 1i4v s PHE 26 Ca 0.00 -0.53 -0.21 0.00 -0.96 0.00 0.00 56.93 55.23 1i4v s PHE 26 Cb 0.00 0.19 0.35 0.00 -0.34 0.00 0.00 43.02 43.22 1i4v s PHE 26 CO 0.00 -1.21 0.94 -1.25 -1.46 0.00 0.00 175.22 172.25 1i4v s PRO 27 N 1.06 -2.65 -0.45 10.12 0.04 -1.26 -5.05 135.00 136.82 1i4v s PRO 27 Ca 0.26 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.60 1i4v s PRO 27 Cb -0.01 -1.40 0.19 0.00 0.04 0.00 0.00 34.50 33.31 1i4v s PRO 27 CO -0.06 -4.72 0.76 0.45 0.04 0.00 0.00 177.00 173.47 1i4v s SER 28 N -3.03 -1.28 -0.24 6.66 0.15 -1.26 -5.11 113.70 109.59 1i4v s SER 28 Ca 0.69 -1.16 -0.28 0.00 0.70 0.00 0.00 55.95 55.90 1i4v s SER 28 Cb -0.15 1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 65.77 1i4v s SER 28 CO 0.59 -0.09 2.15 -2.84 1.20 0.00 0.00 173.24 174.26 1i4v s PRO 29 N 1.30 3.15 -0.44 5.44 0.01 -1.26 -4.82 135.00 138.38 1i4v s PRO 29 Ca 0.23 1.92 0.07 0.00 0.01 0.00 0.00 61.00 63.24 1i4v s PRO 29 Cb 0.00 -4.35 0.33 0.00 0.01 0.00 0.00 34.50 30.50 1i4v s PRO 29 CO -0.07 -2.08 1.07 0.00 0.01 0.00 0.00 177.00 175.93 1i4v n ALA 30 N 11.51 -0.15 -2.49 -1.55 0.00 -1.26 -5.13 120.51 121.44 1i4v n ALA 30 Ca 0.29 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1i4v n ALA 30 Cb 0.45 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1i4v n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i4v n ALA 31 N 0.28 0.00 -2.20 0.00 0.00 -1.26 -5.16 120.51 112.18 1i4v n ALA 31 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 1i4v n ALA 31 Cb 0.70 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.05 1i4v n ALA 31 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1i4v s ASP 32 N -0.02 1.08 -0.17 0.00 1.47 -1.26 -5.14 116.67 112.62 1i4v s ASP 32 Ca 0.00 -1.09 -0.08 0.00 1.18 0.00 0.00 52.55 52.56 1i4v s ASP 32 Cb 0.00 0.12 -0.04 0.00 -0.34 0.00 0.00 42.92 42.66 1i4v s ASP 32 CO 0.00 -0.53 0.10 -0.31 0.68 0.00 0.00 175.17 175.11 1i4v s TYR 33 N -3.68 3.38 -0.74 2.11 1.51 -1.26 -5.00 117.35 113.67 1i4v s TYR 33 Ca 0.18 0.27 -0.26 0.00 -1.01 0.00 0.00 57.07 56.25 1i4v s TYR 33 Cb 0.06 -2.08 -0.13 0.00 -0.11 0.00 0.00 41.96 39.70 1i4v s TYR 33 CO -0.01 0.33 2.42 1.33 -1.11 0.00 0.00 175.55 178.51 1i4v n VAL 34 N 3.19 -0.02 -4.35 0.71 0.24 -1.26 -4.85 118.33 111.99 1i4v n VAL 34 Ca -0.17 -0.55 -0.21 0.00 -2.04 0.00 0.00 64.34 61.36 1i4v n VAL 34 Cb 0.53 -2.11 -0.08 0.00 -1.47 0.00 0.00 33.84 30.70 1i4v n VAL 34 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1i4v s GLU 35 N 8.80 1.81 0.04 7.34 2.02 -1.26 -5.11 118.70 132.34 1i4v s GLU 35 Ca 0.95 -2.07 -0.00 0.00 0.02 0.00 0.00 54.97 53.86 1i4v s GLU 35 Cb -0.15 0.04 -0.00 0.00 0.10 0.00 0.00 34.13 34.12 1i4v s GLU 35 CO 0.12 -0.60 -0.01 0.94 0.02 0.00 0.00 175.26 175.73 1i4v n GLN 36 N -0.71 0.01 -3.30 1.61 7.27 -1.26 -5.06 117.38 115.93 1i4v n GLN 36 Ca 0.03 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.04 1i4v n GLN 36 Cb 0.63 -0.28 -0.06 0.00 2.41 0.00 0.00 30.24 32.94 1i4v n GLN 36 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1i4v s ARG 37 N -1.52 0.40 -0.30 3.69 1.81 -1.26 -5.01 118.95 116.76 1i4v s ARG 37 Ca -0.01 0.55 0.13 0.00 -1.72 0.00 0.00 55.73 54.68 1i4v s ARG 37 Cb 0.00 -0.25 0.39 0.00 -0.45 0.00 0.00 34.95 34.64 1i4v s ARG 37 CO 0.01 -0.72 1.45 1.51 -0.68 0.00 0.00 175.30 176.87 1i4v n ILE 38 N 5.38 0.16 -2.55 1.52 0.13 -1.26 -5.03 119.36 117.70 1i4v n ILE 38 Ca -0.02 -1.15 -0.43 0.00 -1.10 0.00 0.00 62.75 60.04 1i4v n ILE 38 Cb 0.50 1.00 0.00 0.00 -0.84 0.00 0.00 39.64 40.30 1i4v n ILE 38 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1i4v n ASP 39 N -1.29 5.11 -0.27 9.51 2.03 -1.26 -4.80 116.55 125.58 1i4v n ASP 39 Ca -0.15 -3.05 0.04 0.00 0.52 0.00 0.00 54.79 52.14 1i4v n ASP 39 Cb 0.86 -1.52 0.18 0.00 -0.72 0.00 0.00 41.12 39.91 1i4v n ASP 39 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1i4v h LEU 40 N 8.69 0.53 -0.89 -2.67 -0.00 -1.97 0.95 115.31 119.94 1i4v h LEU 40 Ca 0.37 0.07 0.14 0.00 -0.00 0.00 0.00 57.88 58.46 1i4v h LEU 40 Cb 0.72 -0.02 -0.09 0.00 -0.00 0.00 0.00 40.66 41.27 1i4v h LEU 40 CO 1.49 0.27 0.50 -0.55 -0.00 0.00 0.00 178.44 180.15 1i4v h ASN 41 N 0.65 0.64 1.07 -0.43 -1.07 -1.95 0.80 115.58 115.30 1i4v h ASN 41 Ca 0.40 0.08 0.00 0.00 0.07 0.00 0.00 56.30 56.85 1i4v h ASN 41 Cb 0.47 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.69 1i4v h ASN 41 CO -0.30 0.29 -0.83 -0.61 0.07 0.00 0.00 177.43 176.05 1i4v h GLN 42 N 0.72 0.00 0.41 4.14 4.15 -1.35 -2.94 115.11 120.23 1i4v h GLN 42 Ca 0.48 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.88 1i4v h GLN 42 Cb 0.63 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1i4v h GLN 42 CO -0.34 0.00 -0.20 1.25 -1.93 0.00 0.00 178.83 177.62 1i4v h LEU 43 N 0.00 -0.47 0.05 -2.39 6.46 0.33 -3.32 115.31 115.97 1i4v h LEU 43 Ca 0.00 0.02 -0.25 0.00 -0.12 0.00 0.00 57.88 57.53 1i4v h LEU 43 Cb 0.95 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.00 1i4v h LEU 43 CO 0.00 -0.32 -1.14 -0.07 -0.62 0.00 0.00 178.44 176.29 1i4v h LEU 44 N -0.58 0.31 0.00 2.25 -0.00 -1.60 -3.47 115.31 112.21 1i4v h LEU 44 Ca -0.06 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1i4v h LEU 44 Cb 0.42 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1i4v h LEU 44 CO 0.09 1.23 0.00 -0.38 -0.00 0.00 0.00 178.44 179.38 1i4v n ILE 45 N -3.51 0.00 -1.88 1.22 -0.00 -1.12 -5.07 119.36 109.01 1i4v n ILE 45 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.68 1i4v n ILE 45 Cb 0.98 0.00 -0.00 0.00 -0.00 0.00 0.00 39.64 40.61 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 0.10 -4.84 0.38 6.02 -1.20 -4.34 117.38 113.49 1i4v n GLN 46 Ca 0.00 -0.27 -0.31 0.00 -0.01 0.00 0.00 57.00 56.41 1i4v n GLN 46 Cb 0.00 0.39 -0.14 0.00 1.02 0.00 0.00 30.24 31.51 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 0.01 2.46 0.43 1.08 3.76 -1.26 -5.01 115.29 116.75 1i4v s HIS 47 Ca 0.01 -0.33 0.14 0.00 -0.15 0.00 0.00 55.06 54.73 1i4v s HIS 47 Cb 0.03 -1.45 0.94 0.00 1.11 0.00 0.00 32.58 33.21 1i4v s HIS 47 CO -0.01 0.17 1.96 -1.00 -0.85 0.00 0.00 174.74 175.01 1i4v h PRO 48 N 4.80 0.02 0.00 8.40 0.14 -2.01 -3.39 132.00 139.96 1i4v h PRO 48 Ca -0.47 -0.00 -0.10 0.00 0.14 0.00 0.00 66.00 65.57 1i4v h PRO 48 Cb 1.15 -0.00 -0.09 0.00 0.14 0.00 0.00 31.00 32.20 1i4v h PRO 48 CO 0.46 0.23 0.01 0.43 0.14 0.00 0.00 178.00 179.27 1i4v n SER 49 N -4.29 -1.05 -2.09 1.44 7.64 -1.26 -5.00 113.62 109.01 1i4v n SER 49 Ca -0.02 -1.70 -0.06 0.00 1.01 0.00 0.00 58.87 58.10 1i4v n SER 49 Cb 0.27 0.75 0.06 0.00 -1.01 0.00 0.00 64.21 64.28 1i4v n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i4v n ALA 50 N -0.54 3.46 -3.74 -0.43 0.00 -1.26 -5.04 120.51 112.96 1i4v n ALA 50 Ca -0.17 -3.09 -0.25 0.00 0.00 0.00 0.00 53.44 49.94 1i4v n ALA 50 Cb 0.67 -0.61 -0.17 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.39 0.90 0.20 0.00 2.01 -1.26 -2.93 115.64 111.16 1i4v s THR 51 Ca 0.37 -0.26 0.09 0.00 0.31 0.00 0.00 61.69 62.20 1i4v s THR 51 Cb 0.37 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1i4v s THR 51 CO -0.04 0.33 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.85 1i4v s TYR 52 N 1.37 2.69 0.22 4.92 1.51 0.37 -4.85 117.35 123.58 1i4v s TYR 52 Ca -0.02 -0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1i4v s TYR 52 Cb -0.14 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1i4v s TYR 52 CO -0.04 0.54 0.25 -0.59 -1.11 0.00 0.00 175.55 174.60 1i4v s PHE 53 N -1.83 0.91 -0.22 2.71 -0.12 -1.26 0.18 117.98 118.35 1i4v s PHE 53 Ca 0.27 -1.17 -0.17 0.00 -0.05 0.00 0.00 56.93 55.80 1i4v s PHE 53 Cb -0.08 -0.32 0.06 0.00 -0.63 0.00 0.00 43.02 42.05 1i4v s PHE 53 CO 0.17 -0.76 0.56 0.54 -0.05 0.00 0.00 175.22 175.68 1i4v s VAL 54 N -4.10 -0.00 0.16 -2.49 0.11 -0.86 -4.93 120.40 108.30 1i4v s VAL 54 Ca 0.34 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.10 1i4v s VAL 54 Cb 0.04 -0.79 -0.08 0.00 -1.53 0.00 0.00 36.38 34.03 1i4v s VAL 54 CO 0.11 0.01 1.21 -0.75 -3.33 0.00 0.00 175.10 172.35 1i4v s LYS 55 N 0.71 4.47 -0.60 1.54 2.36 -1.26 -2.35 119.74 124.61 1i4v s LYS 55 Ca -0.03 1.87 -0.20 0.00 -2.55 0.00 0.00 55.97 55.06 1i4v s LYS 55 Cb -0.05 -3.26 0.09 0.00 -1.05 0.00 0.00 37.83 33.56 1i4v s LYS 55 CO -0.05 -0.13 0.78 0.00 1.55 0.00 0.00 175.35 177.50 1i4v s ALA 56 N 0.16 3.32 -0.41 3.13 0.00 -0.91 -4.89 121.76 122.16 1i4v s ALA 56 Ca 0.54 -2.03 0.10 0.00 0.00 0.00 0.00 51.96 50.57 1i4v s ALA 56 Cb -0.32 -3.61 0.41 0.00 0.00 0.00 0.00 23.12 19.60 1i4v s ALA 56 CO 0.35 -2.44 0.98 0.43 0.00 0.00 0.00 175.76 175.08 1i4v n SER 57 N 6.75 3.04 0.00 0.00 7.64 -1.26 -2.19 113.62 127.60 1i4v n SER 57 Ca -0.07 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.53 1i4v n SER 57 Cb 0.44 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1i4v n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i4v n GLY 58 N -0.20 3.63 1.20 0.23 0.00 -1.26 -4.91 105.19 103.88 1i4v n GLY 58 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.36 -0.03 1.61 5.68 -1.26 -3.27 116.55 118.93 1i4v n ASP 59 Ca 0.00 -0.94 -0.03 0.00 -0.50 0.00 0.00 54.79 53.32 1i4v n ASP 59 Cb 0.00 0.14 -0.13 0.00 -1.14 0.00 0.00 41.12 39.99 1i4v n ASP 59 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1i4v n SER 60 N -0.21 0.44 -2.64 -1.12 7.64 -1.26 -4.51 113.62 111.96 1i4v n SER 60 Ca -0.07 0.20 -0.14 0.00 1.01 0.00 0.00 58.87 59.87 1i4v n SER 60 Cb 0.49 0.69 0.02 0.00 -1.01 0.00 0.00 64.21 64.40 1i4v n SER 60 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1i4v n MET 61 N -2.77 1.74 0.02 1.43 2.81 -1.26 -2.80 117.12 116.28 1i4v n MET 61 Ca -0.18 -3.59 0.09 0.00 -1.81 0.00 0.00 57.70 52.21 1i4v n MET 61 Cb 0.94 -1.52 0.38 0.00 -0.71 0.00 0.00 33.22 32.30 1i4v n MET 61 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1i4v n ILE 62 N -0.16 0.83 0.18 2.02 5.41 -1.22 -1.92 119.36 124.50 1i4v n ILE 62 Ca 0.17 0.20 0.17 0.00 1.00 0.00 0.00 62.75 64.30 1i4v n ILE 62 Cb 0.77 -0.93 0.67 0.00 -0.71 0.00 0.00 39.64 39.43 1i4v n ILE 62 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1i4v h ASP 63 N 0.00 0.00 0.00 4.38 3.04 -1.74 -3.37 116.42 118.73 1i4v h ASP 63 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1i4v h ASP 63 Cb 0.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 1i4v h ASP 63 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1i4v n GLY 64 N -1.40 0.00 1.48 7.15 0.00 -1.20 -4.94 105.19 106.28 1i4v n GLY 64 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -0.05 3.01 -0.02 0.00 -0.81 -4.88 105.19 102.44 1i4v n GLY 65 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.07 1.11 -0.47 -0.61 -5.25 -1.14 -4.69 121.20 109.08 1i4v s ILE 66 Ca 0.00 -0.46 0.08 0.00 -0.99 0.00 0.00 60.65 59.28 1i4v s ILE 66 Cb 0.00 -1.02 0.30 0.00 2.95 0.00 0.00 42.46 44.69 1i4v s ILE 66 CO 0.00 0.35 0.71 -1.54 -1.79 0.00 0.00 174.94 172.67 1i4v n SER 67 N 3.86 1.92 -1.20 4.36 3.41 -1.26 -3.46 113.62 121.25 1i4v n SER 67 Ca -0.23 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.26 1i4v n SER 67 Cb 0.52 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1i4v n SER 67 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1i4v n ASP 68 N 0.65 -2.92 -0.09 4.04 2.03 -1.20 -4.49 116.55 114.58 1i4v n ASP 68 Ca 0.26 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.92 1i4v n ASP 68 Cb 0.52 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 1.54 0.80 3.62 0.27 0.00 -0.93 -5.00 105.19 105.49 1i4v n GLY 69 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.81 -0.13 -0.08 1.61 -4.77 -1.26 -4.10 116.67 106.13 1i4v s ASP 70 Ca 0.00 0.10 -0.00 0.00 -3.30 0.00 0.00 52.55 49.35 1i4v s ASP 70 Cb 0.00 0.12 -0.03 0.00 -1.09 0.00 0.00 42.92 41.92 1i4v s ASP 70 CO 0.00 -0.15 -0.03 -0.22 0.70 0.00 0.00 175.17 175.46 1i4v s LEU 71 N -1.41 3.37 -0.12 2.11 1.98 -0.41 -2.15 118.68 122.05 1i4v s LEU 71 Ca 0.07 0.06 -0.04 0.00 -2.89 0.00 0.00 54.13 51.33 1i4v s LEU 71 Cb -0.01 -1.75 -0.03 0.00 0.66 0.00 0.00 46.19 45.06 1i4v s LEU 71 CO -0.05 0.37 0.01 -0.22 -1.89 0.00 0.00 176.35 174.57 1i4v s LEU 72 N -0.83 3.59 -0.36 -0.68 0.20 -0.99 -0.46 118.68 119.15 1i4v s LEU 72 Ca 0.13 0.08 0.04 0.00 0.69 0.00 0.00 54.13 55.06 1i4v s LEU 72 Cb -0.11 -1.85 0.10 0.00 -0.43 0.00 0.00 46.19 43.90 1i4v s LEU 72 CO 0.02 0.29 0.09 -0.63 -0.29 0.00 0.00 176.35 175.82 1i4v s ILE 73 N -0.33 2.22 0.20 6.68 1.01 -1.01 -2.02 121.20 127.94 1i4v s ILE 73 Ca 0.07 -2.43 0.02 0.00 0.00 0.00 0.00 60.65 58.31 1i4v s ILE 73 Cb -0.12 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1i4v s ILE 73 CO 0.02 -0.64 0.36 0.54 0.00 0.00 0.00 174.94 175.22 1i4v s VAL 74 N 0.77 5.25 -0.44 2.92 0.11 0.48 -2.92 120.40 126.58 1i4v s VAL 74 Ca 0.12 -0.63 -0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1i4v s VAL 74 Cb -0.20 -3.78 0.12 0.00 -1.53 0.00 0.00 36.38 30.99 1i4v s VAL 74 CO -0.08 -0.21 0.21 -1.81 -3.33 0.00 0.00 175.10 169.88 1i4v s ASP 75 N -3.45 5.02 -0.70 3.54 1.01 -1.23 0.14 116.67 120.99 1i4v s ASP 75 Ca 0.36 -2.32 -0.27 0.00 0.71 0.00 0.00 52.55 51.03 1i4v s ASP 75 Cb -0.10 -1.76 0.02 0.00 1.01 0.00 0.00 42.92 42.09 1i4v s ASP 75 CO 0.29 -0.43 1.35 -0.94 0.21 0.00 0.00 175.17 175.65 1i4v s SER 76 N 1.14 6.07 0.08 0.27 1.04 -1.15 -0.65 113.70 120.51 1i4v s SER 76 Ca 0.11 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1i4v s SER 76 Cb -0.22 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1i4v s SER 76 CO -0.05 -1.87 0.00 0.00 0.98 0.00 0.00 173.24 172.31 1i4v n ALA 77 N 9.72 0.00 -2.19 5.32 0.00 -1.26 -4.58 120.51 127.53 1i4v n ALA 77 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.32 1i4v n ALA 77 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 3.38 -0.24 0.00 1.09 -1.26 -5.02 121.20 117.15 1i4v s ILE 78 Ca 0.00 -1.02 -0.07 0.00 -1.10 0.00 0.00 60.65 58.46 1i4v s ILE 78 Cb 0.00 -3.15 -0.03 0.00 -1.06 0.00 0.00 42.46 38.22 1i4v s ILE 78 CO 0.00 -0.06 0.07 -0.89 -0.10 0.00 0.00 174.94 173.96 1i4v s THR 79 N -2.29 4.36 0.00 2.92 2.01 -1.26 -3.59 115.64 117.79 1i4v s THR 79 Ca 0.51 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1i4v s THR 79 Cb -0.10 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1i4v s THR 79 CO 0.32 0.36 0.00 0.00 -0.69 0.00 0.00 174.62 174.61 1i4v n ALA 80 N 4.70 0.00 -2.87 7.40 0.00 -1.20 -4.97 120.51 123.56 1i4v n ALA 80 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1i4v n ALA 80 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.91 0.76 0.36 0.00 0.01 -1.26 -5.04 113.70 106.62 1i4v s SER 81 Ca 0.00 -0.51 -0.28 0.00 1.31 0.00 0.00 55.95 56.46 1i4v s SER 81 Cb 0.00 0.04 -0.11 0.00 0.21 0.00 0.00 66.02 66.16 1i4v s SER 81 CO 0.00 -0.20 1.49 1.41 0.41 0.00 0.00 173.24 176.35 1i4v n HIS 82 N 1.57 2.91 -1.56 2.43 8.25 -1.26 -3.28 115.22 124.28 1i4v n HIS 82 Ca -0.22 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1i4v n HIS 82 Cb 0.55 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.13 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 0.73 0.94 3.26 -1.41 0.00 -0.69 -4.99 105.19 103.03 1i4v n GLY 83 Ca 0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.61 -0.29 -0.66 1.61 1.01 -1.20 -4.98 116.67 109.56 1i4v s ASP 84 Ca 0.00 0.36 -0.25 0.00 0.71 0.00 0.00 52.55 53.37 1i4v s ASP 84 Cb 0.00 0.49 -0.22 0.00 1.01 0.00 0.00 42.92 44.20 1i4v s ASP 84 CO 0.00 -0.33 1.85 0.00 0.21 0.00 0.00 175.17 176.90 1i4v n ILE 85 N 1.86 1.12 -4.31 0.77 3.06 -1.26 -3.56 119.36 117.04 1i4v n ILE 85 Ca -0.18 -1.04 -0.24 0.00 -2.50 0.00 0.00 62.75 58.79 1i4v n ILE 85 Cb 0.57 -2.17 -0.08 0.00 0.54 0.00 0.00 39.64 38.50 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 8.01 2.83 -0.09 9.51 -7.23 -1.21 -4.64 120.40 127.58 1i4v s VAL 86 Ca 0.65 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.66 1i4v s VAL 86 Cb 0.10 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1i4v s VAL 86 CO 0.20 -0.25 0.57 -0.51 -0.31 0.00 0.00 175.10 174.79 1i4v s ILE 87 N -2.47 5.12 0.45 -0.62 1.10 -1.26 -2.78 121.20 120.75 1i4v s ILE 87 Ca 0.34 1.15 -0.03 0.00 -0.51 0.00 0.00 60.65 61.60 1i4v s ILE 87 Cb -0.02 -3.91 -0.03 0.00 0.15 0.00 0.00 42.46 38.65 1i4v s ILE 87 CO 0.19 0.30 0.73 0.00 -2.11 0.00 0.00 174.94 174.05 1i4v s ALA 88 N 0.65 3.49 -0.09 1.50 0.00 -0.15 -0.76 121.76 126.40 1i4v s ALA 88 Ca 0.31 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1i4v s ALA 88 Cb -0.16 -2.44 0.05 0.00 0.00 0.00 0.00 23.12 20.57 1i4v s ALA 88 CO 0.14 -0.30 0.19 0.00 0.00 0.00 0.00 175.76 175.79 1i4v s ALA 89 N -2.64 -0.35 -0.21 0.00 0.00 0.19 -2.73 121.76 116.02 1i4v s ALA 89 Ca 0.46 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 1i4v s ALA 89 Cb -0.10 -0.69 0.09 0.00 0.00 0.00 0.00 23.12 22.42 1i4v s ALA 89 CO 0.42 -0.36 0.45 0.54 0.00 0.00 0.00 175.76 176.80 1i4v s VAL 90 N 1.72 -0.59 -1.64 0.00 0.11 -1.25 -2.88 120.40 115.88 1i4v s VAL 90 Ca -0.04 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1i4v s VAL 90 Cb -0.12 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1i4v s VAL 90 CO -0.07 0.06 0.00 0.47 -3.33 0.00 0.00 175.10 172.23 1i4v n ASP 91 N 5.23 -4.16 -0.04 3.54 8.00 -1.26 -1.36 116.55 126.49 1i4v n ASP 91 Ca -0.11 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1i4v n ASP 91 Cb 0.50 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 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 -0.34 1.42 3.89 0.44 0.00 -1.26 -5.10 105.19 104.24 1i4v n GLY 92 Ca -0.16 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.45 2.89 -0.39 1.61 2.02 -0.46 -5.09 118.70 117.82 1i4v s GLU 93 Ca 0.00 -1.16 0.02 0.00 0.02 0.00 0.00 54.97 53.85 1i4v s GLU 93 Cb 0.00 -2.59 0.15 0.00 0.10 0.00 0.00 34.13 31.79 1i4v s GLU 93 CO 0.00 0.16 0.27 -0.06 0.02 0.00 0.00 175.26 175.65 1i4v s PHE 94 N -2.23 0.95 0.37 1.61 0.08 -1.26 -3.91 117.98 113.60 1i4v s PHE 94 Ca 0.40 -1.99 -0.02 0.00 0.12 0.00 0.00 56.93 55.44 1i4v s PHE 94 Cb -0.07 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 1i4v s PHE 94 CO 0.27 -0.82 0.60 0.99 -0.10 0.00 0.00 175.22 176.16 1i4v s THR 95 N 0.55 5.05 -0.25 0.64 2.01 -1.11 -4.86 115.64 117.67 1i4v s THR 95 Ca 0.25 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1i4v s THR 95 Cb -0.10 -3.84 0.08 0.00 0.01 0.00 0.00 72.50 68.65 1i4v s THR 95 CO -0.09 -0.58 0.09 -0.69 -0.69 0.00 0.00 174.62 172.67 1i4v s VAL 96 N -2.37 0.30 0.00 3.82 1.01 -1.26 -0.98 120.40 120.92 1i4v s VAL 96 Ca 0.42 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1i4v s VAL 96 Cb -0.10 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1i4v s VAL 96 CO 0.37 -0.52 0.00 0.29 0.00 0.00 0.00 175.10 175.23 1i4v n LYS 97 N 5.11 -2.88 -2.36 2.72 4.76 -1.12 -4.29 118.16 120.11 1i4v n LYS 97 Ca -0.06 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.03 1i4v n LYS 97 Cb 0.44 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.60 1i4v n LYS 97 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1i4v s LYS 98 N -2.00 3.18 0.44 1.97 1.02 -1.23 -3.31 119.74 119.81 1i4v s LYS 98 Ca 0.00 -0.83 -0.13 0.00 0.02 0.00 0.00 55.97 55.03 1i4v s LYS 98 Cb 0.00 -5.25 -0.07 0.00 -0.52 0.00 0.00 37.83 31.99 1i4v s LYS 98 CO 0.00 -2.69 0.84 -0.48 -0.92 0.00 0.00 175.35 172.10 1i4v s LEU 99 N 7.03 3.78 -0.01 3.17 2.34 -1.26 -4.53 118.68 129.20 1i4v s LEU 99 Ca 0.56 1.29 0.01 0.00 0.06 0.00 0.00 54.13 56.05 1i4v s LEU 99 Cb -0.02 -4.19 0.00 0.00 -0.56 0.00 0.00 46.19 41.42 1i4v s LEU 99 CO -0.05 -0.45 -0.03 0.00 -1.06 0.00 0.00 176.35 174.75 1i4v s GLN 100 N -3.85 0.36 0.00 1.48 0.00 -1.11 -1.70 119.66 114.84 1i4v s GLN 100 Ca 0.54 -0.11 0.00 0.00 -0.00 0.00 0.00 55.36 55.79 1i4v s GLN 100 Cb -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 33.01 32.53 1i4v s GLN 100 CO 0.30 0.05 0.00 1.28 0.00 0.00 0.00 175.29 176.92 1i4v n LEU 101 N 3.21 0.00 -0.05 2.60 4.77 -1.22 -1.45 117.00 124.86 1i4v n LEU 101 Ca -0.16 -0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 55.74 1i4v n LEU 101 Cb 0.57 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1i4v n LEU 101 CO 0.25 0.00 -0.05 0.03 -1.33 0.00 0.00 177.39 176.29 1i4v h ARG 102 N 0.00 0.00 0.46 3.23 -0.00 -1.99 -3.39 114.38 112.69 1i4v h ARG 102 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.46 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 -0.22 -1.00 0.00 0.00 0.00 179.97 178.75 1i4v h PRO 103 N -0.92 -0.59 -2.78 0.04 0.13 -2.02 -3.45 132.00 122.40 1i4v h PRO 103 Ca 0.00 0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.06 1i4v h PRO 103 Cb 0.07 0.14 -0.21 0.00 0.13 0.00 0.00 31.00 31.12 1i4v h PRO 103 CO 0.00 -0.35 -0.19 0.99 -0.23 0.00 0.00 178.00 178.22 1i4v s THR 104 N -5.72 0.03 -0.73 1.56 2.01 -1.26 -5.10 115.64 106.44 1i4v s THR 104 Ca -0.16 -0.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.33 1i4v s THR 104 Cb 0.04 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.92 1i4v s THR 104 CO 0.61 -0.13 1.30 0.68 -0.69 0.00 0.00 174.62 176.38 1i4v s VAL 105 N -0.76 3.72 0.02 3.82 -7.23 -1.26 -3.38 120.40 115.34 1i4v s VAL 105 Ca -0.08 0.43 0.02 0.00 -1.81 0.00 0.00 61.98 60.53 1i4v s VAL 105 Cb -0.04 -4.87 -0.02 0.00 0.56 0.00 0.00 36.38 32.01 1i4v s VAL 105 CO 0.04 -1.80 -0.07 -1.10 -0.31 0.00 0.00 175.10 171.86 1i4v s GLN 106 N 5.75 0.49 0.03 4.82 -0.21 -0.53 -2.69 119.66 127.32 1i4v s GLN 106 Ca 0.37 -0.50 -0.07 0.00 0.02 0.00 0.00 55.36 55.17 1i4v s GLN 106 Cb -0.08 -0.36 -0.00 0.00 1.00 0.00 0.00 33.01 33.57 1i4v s GLN 106 CO 0.16 0.08 0.13 -1.17 -2.12 0.00 0.00 175.29 172.37 1i4v s LEU 107 N -0.92 1.62 -0.45 2.90 2.96 -0.83 -2.74 118.68 121.21 1i4v s LEU 107 Ca -0.04 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 1i4v s LEU 107 Cb -0.06 0.72 0.25 0.00 0.50 0.00 0.00 46.19 47.60 1i4v s LEU 107 CO 0.00 -0.49 0.59 0.00 -1.32 0.00 0.00 176.35 175.13 1i4v n ILE 108 N 0.90 0.11 -2.13 6.68 0.13 -1.26 -2.82 119.36 120.97 1i4v n ILE 108 Ca -0.20 -4.35 -0.41 0.00 -1.10 0.00 0.00 62.75 56.70 1i4v n ILE 108 Cb 0.58 -1.92 -0.03 0.00 -0.84 0.00 0.00 39.64 37.43 1i4v n ILE 108 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 1i4v s PRO 109 N -1.57 3.10 -0.28 9.51 0.05 -1.26 -4.78 135.00 139.76 1i4v s PRO 109 Ca 0.37 0.88 -0.38 0.00 0.05 0.00 0.00 61.00 61.92 1i4v s PRO 109 Cb 0.17 -4.23 0.16 0.00 0.05 0.00 0.00 34.50 30.65 1i4v s PRO 109 CO -0.09 -2.16 1.37 0.00 0.05 0.00 0.00 177.00 176.18 1i4v s MET 110 N 6.05 0.05 0.00 4.56 0.23 -1.25 -4.79 119.30 124.15 1i4v s MET 110 Ca 0.68 -0.02 0.00 0.00 -1.03 0.00 0.00 55.69 55.32 1i4v s MET 110 Cb -0.16 0.02 0.00 0.00 -1.53 0.00 0.00 34.83 33.17 1i4v s MET 110 CO 0.27 -0.02 0.00 -1.71 -2.03 0.00 0.00 175.02 171.53 1i4v n ASN 111 N -0.01 0.00 -0.02 -1.18 4.05 -1.12 -2.99 115.26 113.99 1i4v n ASN 111 Ca 0.05 0.01 0.04 0.00 0.45 0.00 0.00 54.58 55.12 1i4v n ASN 111 Cb 0.56 -0.07 -0.10 0.00 1.23 0.00 0.00 39.78 41.41 1i4v n ASN 111 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1i4v n SER 112 N -1.52 2.05 -3.81 1.20 3.41 -1.26 -4.40 113.62 109.28 1i4v n SER 112 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1i4v n SER 112 Cb 0.00 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.35 1i4v n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i4v n ALA 113 N -2.07 5.51 -1.74 7.33 0.00 -1.26 -4.97 120.51 123.32 1i4v n ALA 113 Ca -0.06 -4.20 -0.42 0.00 0.00 0.00 0.00 53.44 48.75 1i4v n ALA 113 Cb 0.47 -3.10 -0.03 0.00 0.00 0.00 0.00 19.45 16.79 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 0.96 1.56 -0.46 0.00 1.13 -1.26 -4.82 117.35 114.47 1i4v s TYR 114 Ca 0.42 -0.27 0.03 0.00 -1.41 0.00 0.00 57.07 55.83 1i4v s TYR 114 Cb 0.11 -4.18 0.14 0.00 -1.10 0.00 0.00 41.96 36.93 1i4v s TYR 114 CO -0.02 -5.16 0.28 -1.12 -2.51 0.00 0.00 175.55 167.01 1i4v s SER 115 N 3.93 3.47 -0.32 -0.18 0.01 -1.26 -5.07 113.70 114.28 1i4v s SER 115 Ca 0.85 -2.79 -0.28 0.00 1.31 0.00 0.00 55.95 55.04 1i4v s SER 115 Cb -0.42 -0.99 -0.06 0.00 0.21 0.00 0.00 66.02 64.76 1i4v s SER 115 CO 0.39 -0.24 2.29 -2.65 0.41 0.00 0.00 173.24 173.43 1i4v n PRO 116 N 3.32 1.61 -4.34 12.44 -0.01 -1.26 -4.75 135.00 142.00 1i4v n PRO 116 Ca 0.13 0.36 -0.25 0.00 -0.01 0.00 0.00 63.50 63.73 1i4v n PRO 116 Cb 0.36 -3.22 -0.12 0.00 -0.01 0.00 0.00 33.50 30.51 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 9.38 1.95 0.04 4.25 1.10 -1.13 -5.02 121.20 131.78 1i4v s ILE 117 Ca 1.01 -1.79 0.00 0.00 -0.51 0.00 0.00 60.65 59.36 1i4v s ILE 117 Cb -0.34 -1.83 -0.04 0.00 0.15 0.00 0.00 42.46 40.40 1i4v s ILE 117 CO 0.34 -0.13 0.14 0.28 -2.11 0.00 0.00 174.94 173.46 1i4v s THR 118 N -1.54 5.04 0.00 4.00 -1.32 -1.26 -1.97 115.64 118.59 1i4v s THR 118 Ca 0.13 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 1i4v s THR 118 Cb -0.08 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.51 1i4v s THR 118 CO 0.06 0.22 0.17 -0.38 -2.21 0.00 0.00 174.62 172.49 1i4v n ILE 119 N 0.66 0.00 0.07 5.08 5.41 -1.10 -4.97 119.36 124.52 1i4v n ILE 119 Ca -0.09 0.46 0.00 0.00 1.00 0.00 0.00 62.75 64.12 1i4v n ILE 119 Cb 0.52 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 1i4v n ILE 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1i4v n SER 120 N -0.30 -1.15 -2.67 4.38 2.88 -1.26 -5.07 113.62 110.43 1i4v n SER 120 Ca 0.00 0.27 -0.04 0.00 -1.33 0.00 0.00 58.87 57.76 1i4v n SER 120 Cb 0.00 1.37 0.10 0.00 -0.75 0.00 0.00 64.21 64.93 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 -2.80 -1.39 -3.49 -3.46 2.88 -1.26 -5.00 113.62 99.10 1i4v n SER 121 Ca 0.00 -2.05 -0.24 0.00 -1.33 0.00 0.00 58.87 55.25 1i4v n SER 121 Cb 0.00 1.13 0.06 0.00 -0.75 0.00 0.00 64.21 64.65 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 0.77 -1.72 0.00 -1.46 2.13 -1.26 -4.97 120.64 114.13 1i4v n GLU 122 Ca -0.02 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1i4v n GLU 122 Cb 0.74 -4.88 0.00 0.00 0.27 0.00 0.00 31.44 27.57 1i4v n GLU 122 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1i4v n ASP 123 N -2.92 0.00 -3.26 4.31 8.00 -1.26 -4.98 116.55 116.44 1i4v n ASP 123 Ca -0.09 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.23 1i4v n ASP 123 Cb 0.60 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 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 -0.65 -0.20 -0.08 -3.53 2.01 -1.26 -5.10 115.64 106.82 1i4v s THR 124 Ca 0.00 -1.61 -0.03 0.00 0.31 0.00 0.00 61.69 60.36 1i4v s THR 124 Cb 0.00 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.78 1i4v s THR 124 CO 0.00 -0.72 0.06 -0.76 -0.69 0.00 0.00 174.62 172.50 1i4v s LEU 125 N 0.82 0.28 0.07 4.42 2.01 -1.26 -4.75 118.68 120.27 1i4v s LEU 125 Ca 0.25 -0.12 -0.09 0.00 0.01 0.00 0.00 54.13 54.18 1i4v s LEU 125 Cb -0.06 -0.22 -0.00 0.00 0.01 0.00 0.00 46.19 45.92 1i4v s LEU 125 CO -0.09 -0.27 0.19 -0.62 1.01 0.00 0.00 176.35 176.57 1i4v s ASP 126 N 2.12 0.10 0.59 2.29 2.15 -1.14 -4.99 116.67 117.80 1i4v s ASP 126 Ca 0.04 -0.56 -0.17 0.00 0.43 0.00 0.00 52.55 52.29 1i4v s ASP 126 Cb -0.13 0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.77 1i4v s ASP 126 CO -0.05 -0.67 1.09 -0.69 -0.17 0.00 0.00 175.17 174.69 1i4v s VAL 127 N -3.41 3.46 -0.13 1.11 1.01 -1.26 0.53 120.40 121.70 1i4v s VAL 127 Ca 0.01 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 1i4v s VAL 127 Cb 0.03 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1i4v s VAL 127 CO -0.09 -0.34 -0.06 0.15 0.00 0.00 0.00 175.10 174.77 1i4v h PHE 128 N 0.59 0.00 -0.99 5.22 3.57 -1.18 -3.42 116.94 120.72 1i4v h PHE 128 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1i4v h PHE 128 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1i4v h PHE 128 CO 0.55 0.09 0.00 0.41 -2.23 0.00 0.00 178.31 177.14 1i4v n GLY 129 N 1.68 5.02 0.00 2.40 0.00 -1.26 -4.20 105.19 108.83 1i4v n GLY 129 Ca -0.05 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 -4.29 1.61 3.14 0.18 -3.25 118.33 115.72 1i4v n VAL 130 Ca 0.00 -0.10 -0.22 0.00 -2.96 0.00 0.00 64.34 61.06 1i4v n VAL 130 Cb 0.00 1.62 -0.12 0.00 -1.06 0.00 0.00 33.84 34.28 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 -0.04 1.68 -0.39 1.55 0.11 -1.26 -4.83 120.40 117.22 1i4v s VAL 131 Ca 0.00 -1.70 0.11 0.00 -2.93 0.00 0.00 61.98 57.46 1i4v s VAL 131 Cb 0.00 -1.64 0.35 0.00 -1.53 0.00 0.00 36.38 33.56 1i4v s VAL 131 CO 0.00 -0.21 0.85 -0.38 -3.33 0.00 0.00 175.10 172.03 1i4v n ILE 132 N 0.72 -0.06 -2.48 7.04 -0.00 -1.25 -3.50 119.36 119.83 1i4v n ILE 132 Ca -0.17 -3.70 -0.43 0.00 -0.00 0.00 0.00 62.75 58.45 1i4v n ILE 132 Cb 0.55 0.24 -0.02 0.00 -0.00 0.00 0.00 39.64 40.41 1i4v n ILE 132 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1i4v s HIS 133 N -1.77 2.68 -0.26 1.39 3.76 -1.15 -4.88 115.29 115.06 1i4v s HIS 133 Ca 0.35 0.79 -0.24 0.00 -0.15 0.00 0.00 55.06 55.81 1i4v s HIS 133 Cb 0.34 -4.18 -0.00 0.00 1.11 0.00 0.00 32.58 29.85 1i4v s HIS 133 CO -0.07 -1.56 0.80 0.14 -0.85 0.00 0.00 174.74 173.21 1i4v s VAL 134 N 4.66 4.84 -0.48 -0.90 -7.23 -1.26 -2.42 120.40 117.61 1i4v s VAL 134 Ca 0.54 1.44 -0.16 0.00 -1.81 0.00 0.00 61.98 62.00 1i4v s VAL 134 Cb -0.12 -4.11 0.08 0.00 0.56 0.00 0.00 36.38 32.78 1i4v s VAL 134 CO 0.28 -0.11 0.42 -0.69 -0.31 0.00 0.00 175.10 174.69 1i4v s VAL 135 N 2.85 5.21 -0.74 1.32 1.01 0.40 -4.96 120.40 125.48 1i4v s VAL 135 Ca 0.34 -1.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 1i4v s VAL 135 Cb -0.15 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.11 1i4v s VAL 135 CO 0.09 -0.62 1.26 -0.75 0.00 0.00 0.00 175.10 175.08 1i4v s LYS 136 N 1.72 3.20 -0.38 2.72 2.47 -1.26 -1.28 119.74 126.92 1i4v s LYS 136 Ca 0.05 -0.31 -0.27 0.00 -1.56 0.00 0.00 55.97 53.88 1i4v s LYS 136 Cb -0.24 -4.22 -0.05 0.00 -1.46 0.00 0.00 37.83 31.85 1i4v s LYS 136 CO 0.07 -2.13 2.24 0.00 0.16 0.00 0.00 175.35 175.69 1i4v s ALA 137 N 5.60 2.20 -0.38 3.13 0.00 -1.26 -4.91 121.76 126.14 1i4v s ALA 137 Ca 0.34 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 1i4v s ALA 137 Cb -0.08 -4.21 0.09 0.00 0.00 0.00 0.00 23.12 18.92 1i4v s ALA 137 CO 0.14 -3.62 0.16 -1.64 0.00 0.00 0.00 175.76 170.79 1i4v s MET 138 N 7.21 2.13 0.00 0.00 -1.94 -1.26 -4.96 119.30 120.48 1i4v s MET 138 Ca 0.95 -1.66 0.28 0.00 -1.71 0.00 0.00 55.69 53.55 1i4v s MET 138 Cb -0.23 -3.49 1.14 0.00 2.01 0.00 0.00 34.83 34.25 1i4v s MET 138 CO 0.30 -0.95 1.80 -2.13 -0.01 0.00 0.00 175.02 174.02