#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 1.02 -0.97 0.00 0.08 -1.26 -5.05 117.98 111.79 1i4v s PHE 26 Ca 0.00 -2.16 -0.26 0.00 0.12 0.00 0.00 56.93 54.63 1i4v s PHE 26 Cb 0.00 -0.93 -0.17 0.00 -0.57 0.00 0.00 43.02 41.35 1i4v s PHE 26 CO 0.00 -0.83 2.20 -1.25 -0.10 0.00 0.00 175.22 175.24 1i4v s PRO 27 N 0.31 1.53 0.16 0.24 0.05 -1.26 -4.90 135.00 131.12 1i4v s PRO 27 Ca 0.29 -0.15 0.09 0.00 0.05 0.00 0.00 61.00 61.28 1i4v s PRO 27 Cb -0.03 -4.94 -0.04 0.00 0.05 0.00 0.00 34.50 29.54 1i4v s PRO 27 CO -0.14 -4.86 -0.15 -1.12 0.05 0.00 0.00 177.00 170.77 1i4v s SER 28 N 9.19 3.99 0.03 6.66 0.01 -1.26 -5.06 113.70 127.25 1i4v s SER 28 Ca 0.84 -0.61 -0.23 0.00 1.31 0.00 0.00 55.95 57.26 1i4v s SER 28 Cb -0.08 -0.59 -0.12 0.00 0.21 0.00 0.00 66.02 65.44 1i4v s SER 28 CO 0.13 0.14 1.19 1.55 0.41 0.00 0.00 173.24 176.66 1i4v h PRO 29 N 3.29 -0.78 0.00 12.44 0.14 -2.09 -3.48 132.00 141.52 1i4v h PRO 29 Ca -0.48 0.05 0.00 0.00 0.14 0.00 0.00 66.00 65.71 1i4v h PRO 29 Cb 1.19 0.18 0.00 0.00 0.14 0.00 0.00 31.00 32.51 1i4v h PRO 29 CO 0.50 -0.52 0.00 0.00 0.14 0.00 0.00 178.00 178.12 1i4v n ALA 30 N -2.48 0.52 -3.37 -0.56 0.00 -1.26 -5.08 120.51 108.28 1i4v n ALA 30 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1i4v n ALA 30 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.01 -2.60 -3.66 0.00 0.00 -1.26 -5.01 120.51 106.97 1i4v n ALA 31 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 1i4v n ALA 31 Cb 0.00 -1.93 -0.10 0.00 0.00 0.00 0.00 19.45 17.42 1i4v n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i4v s ASP 32 N -3.09 -0.22 -0.18 0.00 -1.08 -1.26 -5.03 116.67 105.81 1i4v s ASP 32 Ca 0.10 0.96 0.13 0.00 -0.52 0.00 0.00 52.55 53.23 1i4v s ASP 32 Cb -0.03 1.29 0.43 0.00 -1.46 0.00 0.00 42.92 43.15 1i4v s ASP 32 CO 0.81 -0.23 1.21 0.00 0.52 0.00 0.00 175.17 177.47 1i4v n TYR 33 N 5.35 0.23 -3.69 -5.34 4.11 -1.26 -5.03 117.16 111.53 1i4v n TYR 33 Ca -0.09 -1.39 -0.15 0.00 -0.00 0.00 0.00 57.90 56.27 1i4v n TYR 33 Cb 0.50 -0.24 -0.08 0.00 -0.00 0.00 0.00 39.34 39.52 1i4v n TYR 33 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1i4v s VAL 34 N -2.80 0.03 -0.42 -3.48 0.11 -1.26 -5.12 120.40 107.46 1i4v s VAL 34 Ca 0.38 -0.26 0.06 0.00 -2.93 0.00 0.00 61.98 59.23 1i4v s VAL 34 Cb 0.38 -0.72 0.17 0.00 -1.53 0.00 0.00 36.38 34.68 1i4v s VAL 34 CO -0.08 -0.14 0.57 -1.61 -3.33 0.00 0.00 175.10 170.51 1i4v s GLU 35 N -1.00 0.82 0.57 1.54 2.02 -1.26 -4.99 118.70 116.39 1i4v s GLU 35 Ca -0.10 -0.62 0.27 0.00 0.02 0.00 0.00 54.97 54.53 1i4v s GLU 35 Cb -0.03 -0.20 1.53 0.00 0.10 0.00 0.00 34.13 35.52 1i4v s GLU 35 CO 0.05 -1.22 2.05 0.37 0.02 0.00 0.00 175.26 176.53 1i4v h GLN 36 N 6.65 0.00 -6.48 1.61 5.75 -2.06 -3.40 115.11 117.17 1i4v h GLN 36 Ca 0.06 0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 58.04 1i4v h GLN 36 Cb 1.13 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.65 1i4v h GLN 36 CO 0.12 0.00 0.30 1.03 -2.65 0.00 0.00 178.83 177.63 1i4v s ARG 37 N -4.78 4.63 -1.04 1.69 1.81 -1.26 -4.99 118.95 115.01 1i4v s ARG 37 Ca -0.05 1.33 -0.06 0.00 -1.72 0.00 0.00 55.73 55.24 1i4v s ARG 37 Cb 0.17 -3.38 0.26 0.00 -0.45 0.00 0.00 34.95 31.55 1i4v s ARG 37 CO 0.61 0.22 1.04 1.51 -0.68 0.00 0.00 175.30 178.01 1i4v n ILE 38 N 2.85 4.12 -1.89 1.52 3.06 -1.26 -4.93 119.36 122.83 1i4v n ILE 38 Ca 0.01 -5.35 -0.41 0.00 -2.50 0.00 0.00 62.75 54.50 1i4v n ILE 38 Cb 0.50 -2.46 -0.01 0.00 0.54 0.00 0.00 39.64 38.20 1i4v n ILE 38 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1i4v n ASP 39 N 2.38 6.27 -0.15 9.51 -0.08 -1.26 -4.75 116.55 128.48 1i4v n ASP 39 Ca 0.24 -2.94 -0.03 0.00 -1.51 0.00 0.00 54.79 50.55 1i4v n ASP 39 Cb 0.38 -1.51 0.06 0.00 2.34 0.00 0.00 41.12 42.38 1i4v n ASP 39 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1i4v h LEU 40 N 7.66 -0.11 -0.98 -2.67 -0.00 -1.97 1.33 115.31 118.57 1i4v h LEU 40 Ca 0.61 0.10 0.21 0.00 -0.00 0.00 0.00 57.88 58.80 1i4v h LEU 40 Cb 0.48 0.17 -0.11 0.00 -0.00 0.00 0.00 40.66 41.19 1i4v h LEU 40 CO 1.69 -0.03 0.57 -0.55 -0.00 0.00 0.00 178.44 180.13 1i4v h ASN 41 N 0.16 0.69 0.94 -0.43 7.08 -1.94 0.28 115.58 122.36 1i4v h ASN 41 Ca 0.24 0.11 0.00 0.00 -3.08 0.00 0.00 56.30 53.58 1i4v h ASN 41 Cb 0.35 -0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.58 1i4v h ASN 41 CO -0.36 0.20 -0.94 1.67 -2.08 0.00 0.00 177.43 175.91 1i4v n GLN 42 N -4.84 0.53 0.18 4.14 -0.06 -0.25 -2.56 117.38 114.54 1i4v n GLN 42 Ca 0.24 0.11 -0.07 0.00 -2.00 0.00 0.00 57.00 55.27 1i4v n GLN 42 Cb 0.62 -1.79 -0.03 0.00 -4.06 0.00 0.00 30.24 24.97 1i4v n GLN 42 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1i4v h LEU 43 N 0.00 -0.40 0.00 1.69 6.46 0.54 -3.32 115.31 120.28 1i4v h LEU 43 Ca 0.00 0.01 -0.21 0.00 -0.12 0.00 0.00 57.88 57.57 1i4v h LEU 43 Cb 0.94 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 1i4v h LEU 43 CO 0.00 -0.26 -1.09 -0.07 -0.62 0.00 0.00 178.44 176.40 1i4v h LEU 44 N -0.52 0.00 0.00 2.25 -0.00 -1.61 -3.47 115.31 111.96 1i4v h LEU 44 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1i4v h LEU 44 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1i4v h LEU 44 CO 0.08 0.89 0.00 -0.38 -0.00 0.00 0.00 178.44 179.03 1i4v n ILE 45 N -3.24 0.00 -1.91 1.22 5.41 -1.06 -5.09 119.36 114.69 1i4v n ILE 45 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.70 1i4v n ILE 45 Cb 0.92 -0.03 -0.00 0.00 -0.71 0.00 0.00 39.64 39.82 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 -4.26 0.38 6.02 -1.20 -4.30 117.38 114.12 1i4v n GLN 46 Ca 0.00 -0.24 -0.17 0.00 -0.01 0.00 0.00 57.00 56.58 1i4v n GLN 46 Cb 0.00 0.37 -0.11 0.00 1.02 0.00 0.00 30.24 31.52 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 1.40 0.19 1.08 3.76 -1.26 -5.03 115.29 115.43 1i4v s HIS 47 Ca 0.01 -0.61 -0.11 0.00 -0.15 0.00 0.00 55.06 54.20 1i4v s HIS 47 Cb 0.03 -0.71 0.11 0.00 1.11 0.00 0.00 32.58 33.12 1i4v s HIS 47 CO -0.01 0.15 1.78 -1.35 -0.85 0.00 0.00 174.74 174.47 1i4v h PRO 48 N 3.21 0.97 -0.06 8.40 0.11 -2.01 -3.42 132.00 139.19 1i4v h PRO 48 Ca -0.39 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1i4v h PRO 48 Cb 1.20 -0.18 -0.14 0.00 0.11 0.00 0.00 31.00 31.99 1i4v h PRO 48 CO 0.55 0.76 -0.09 0.45 -0.21 0.00 0.00 178.00 179.47 1i4v n SER 49 N -4.47 -1.42 -2.54 -2.05 2.88 -1.26 -5.04 113.62 99.72 1i4v n SER 49 Ca 0.05 -1.59 -0.01 0.00 -1.33 0.00 0.00 58.87 56.00 1i4v n SER 49 Cb 0.12 0.77 0.07 0.00 -0.75 0.00 0.00 64.21 64.41 1i4v n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i4v n ALA 50 N 1.86 2.74 -2.69 -1.46 0.00 -1.26 -5.09 120.51 114.61 1i4v n ALA 50 Ca 0.05 -2.01 -0.18 0.00 0.00 0.00 0.00 53.44 51.29 1i4v n ALA 50 Cb 0.68 -0.81 -0.14 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.92 0.84 0.17 0.00 2.01 -1.26 -2.19 115.64 113.30 1i4v s THR 51 Ca 0.20 -0.72 0.11 0.00 0.31 0.00 0.00 61.69 61.59 1i4v s THR 51 Cb 0.35 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 1i4v s THR 51 CO -0.08 0.05 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.35 1i4v s TYR 52 N -0.62 2.35 0.13 4.92 1.51 0.33 -4.67 117.35 121.30 1i4v s TYR 52 Ca 0.01 -0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1i4v s TYR 52 Cb -0.06 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1i4v s TYR 52 CO 0.00 0.45 0.14 -0.59 -1.11 0.00 0.00 175.55 174.44 1i4v s PHE 53 N -1.45 0.60 -0.21 2.71 -0.12 -1.26 0.12 117.98 118.36 1i4v s PHE 53 Ca 0.19 -0.99 -0.18 0.00 -0.05 0.00 0.00 56.93 55.89 1i4v s PHE 53 Cb -0.09 -0.28 0.06 0.00 -0.63 0.00 0.00 43.02 42.07 1i4v s PHE 53 CO 0.09 -0.58 0.55 0.54 -0.05 0.00 0.00 175.22 175.78 1i4v s VAL 54 N -3.99 -0.00 0.16 -2.49 0.11 -1.08 -4.95 120.40 108.16 1i4v s VAL 54 Ca 0.18 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.94 1i4v s VAL 54 Cb 0.06 -0.78 -0.08 0.00 -1.53 0.00 0.00 36.38 34.06 1i4v s VAL 54 CO -0.01 0.00 1.21 -0.75 -3.33 0.00 0.00 175.10 172.22 1i4v s LYS 55 N 0.46 4.47 -0.58 1.54 2.36 -1.26 -2.08 119.74 124.64 1i4v s LYS 55 Ca -0.01 1.88 -0.21 0.00 -2.55 0.00 0.00 55.97 55.07 1i4v s LYS 55 Cb -0.04 -3.26 0.07 0.00 -1.05 0.00 0.00 37.83 33.55 1i4v s LYS 55 CO -0.02 -0.15 0.81 0.00 1.55 0.00 0.00 175.35 177.55 1i4v s ALA 56 N 0.21 3.26 -0.41 3.13 0.00 -1.09 -4.90 121.76 121.96 1i4v s ALA 56 Ca 0.55 -1.77 0.11 0.00 0.00 0.00 0.00 51.96 50.85 1i4v s ALA 56 Cb -0.32 -3.63 0.37 0.00 0.00 0.00 0.00 23.12 19.53 1i4v s ALA 56 CO 0.35 -2.40 0.82 0.45 0.00 0.00 0.00 175.76 174.99 1i4v n SER 57 N 6.95 1.88 0.00 0.00 2.88 -1.26 -1.57 113.62 122.51 1i4v n SER 57 Ca -0.05 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.34 1i4v n SER 57 Cb 0.45 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.09 0.47 2.67 0.46 0.00 -1.26 -4.87 105.19 102.74 1i4v n GLY 58 Ca 0.25 0.32 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.36 -0.00 1.61 5.68 -1.26 -2.83 116.55 118.39 1i4v n ASP 59 Ca 0.00 -2.00 0.02 0.00 -0.50 0.00 0.00 54.79 52.30 1i4v n ASP 59 Cb 0.00 1.15 -0.02 0.00 -1.14 0.00 0.00 41.12 41.11 1i4v n ASP 59 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1i4v n SER 60 N -0.03 2.76 -1.57 -1.12 3.41 -1.26 -4.72 113.62 111.09 1i4v n SER 60 Ca -0.13 -0.21 0.04 0.00 -0.26 0.00 0.00 58.87 58.31 1i4v n SER 60 Cb 0.72 1.10 0.03 0.00 -0.26 0.00 0.00 64.21 65.80 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 -1.42 0.23 -0.01 4.33 2.81 -1.26 -4.56 117.12 117.24 1i4v n MET 61 Ca -0.00 -2.19 0.23 0.00 -1.81 0.00 0.00 57.70 53.93 1i4v n MET 61 Cb 0.08 -0.22 0.71 0.00 -0.71 0.00 0.00 33.22 33.07 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 6.59 0.36 -1.05 2.02 2.04 -1.84 0.66 117.51 126.29 1i4v h ILE 62 Ca -0.21 0.00 0.28 0.00 1.00 0.00 0.00 64.86 65.93 1i4v h ILE 62 Cb 1.80 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 38.35 1i4v h ILE 62 CO 0.10 0.00 0.70 -2.24 0.00 0.00 0.00 178.15 176.71 1i4v h ASP 63 N 0.00 0.32 0.66 1.72 3.04 -1.84 0.68 116.42 121.00 1i4v h ASP 63 Ca 0.28 0.06 -0.27 0.00 -3.24 0.00 0.00 57.03 53.86 1i4v h ASP 63 Cb 1.46 0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 39.74 1i4v h ASP 63 CO -0.00 0.07 -1.29 1.23 -2.04 0.00 0.00 179.24 177.20 1i4v h GLY 64 N 0.29 0.21 0.00 7.15 0.00 0.10 -3.48 103.07 107.34 1i4v h GLY 64 Ca 0.57 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1i4v h GLY 64 CO -0.21 0.47 0.00 0.61 0.00 0.00 0.00 176.54 177.41 1i4v n GLY 65 N 1.53 0.54 3.55 4.60 0.00 0.24 -4.64 105.19 111.01 1i4v n GLY 65 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.01 3.54 -0.63 -0.61 -5.25 -1.25 -4.87 121.20 112.13 1i4v s ILE 66 Ca 0.00 0.20 0.05 0.00 -0.99 0.00 0.00 60.65 59.91 1i4v s ILE 66 Cb 0.00 -4.42 0.29 0.00 2.95 0.00 0.00 42.46 41.28 1i4v s ILE 66 CO 0.00 -1.37 0.85 -1.54 -1.79 0.00 0.00 174.94 171.10 1i4v n SER 67 N 11.21 4.15 -4.12 4.36 3.41 -1.26 -3.32 113.62 128.05 1i4v n SER 67 Ca 0.15 -3.54 -0.40 0.00 -0.26 0.00 0.00 58.87 54.82 1i4v n SER 67 Cb 0.50 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.42 -2.31 0.00 4.04 -0.08 -1.13 -4.70 116.55 112.79 1i4v n ASP 68 Ca 0.31 -1.26 0.00 0.00 -1.51 0.00 0.00 54.79 52.33 1i4v n ASP 68 Cb 0.40 -1.84 0.00 0.00 2.34 0.00 0.00 41.12 42.02 1i4v n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1i4v n GLY 69 N -2.22 -0.95 1.65 0.27 0.00 -0.61 -4.87 105.19 98.46 1i4v n GLY 69 Ca -0.19 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1i4v n GLY 69 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i4v n ASP 70 N 0.00 -0.57 -3.76 1.61 5.75 -1.25 -4.63 116.55 113.70 1i4v n ASP 70 Ca 0.00 -1.19 -0.26 0.00 -0.01 0.00 0.00 54.79 53.33 1i4v n ASP 70 Cb 0.00 0.90 -0.17 0.00 -1.03 0.00 0.00 41.12 40.82 1i4v n ASP 70 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1i4v s LEU 71 N 0.00 1.03 0.34 -2.12 1.98 -1.11 -2.68 118.68 116.12 1i4v s LEU 71 Ca 0.12 -0.57 -0.26 0.00 -2.89 0.00 0.00 54.13 50.53 1i4v s LEU 71 Cb -0.01 -0.58 -0.10 0.00 0.66 0.00 0.00 46.19 46.17 1i4v s LEU 71 CO 0.00 -0.26 0.98 -0.22 -1.89 0.00 0.00 176.35 174.97 1i4v s LEU 72 N 1.87 4.29 -0.33 -0.68 0.20 -0.89 -1.74 118.68 121.40 1i4v s LEU 72 Ca 0.01 1.91 -0.01 0.00 0.69 0.00 0.00 54.13 56.73 1i4v s LEU 72 Cb -0.15 -4.06 0.11 0.00 -0.43 0.00 0.00 46.19 41.66 1i4v s LEU 72 CO -0.07 -0.19 0.13 -0.63 -0.29 0.00 0.00 176.35 175.29 1i4v s ILE 73 N -1.62 0.77 0.15 6.68 -1.09 -0.12 -2.62 121.20 123.35 1i4v s ILE 73 Ca 0.52 -1.47 0.03 0.00 -2.23 0.00 0.00 60.65 57.50 1i4v s ILE 73 Cb -0.20 -1.58 -0.04 0.00 -1.58 0.00 0.00 42.46 39.06 1i4v s ILE 73 CO 0.25 -0.73 0.20 0.54 -1.23 0.00 0.00 174.94 173.98 1i4v s VAL 74 N 1.49 4.92 -0.49 2.92 0.11 0.32 0.72 120.40 130.40 1i4v s VAL 74 Ca 0.11 -0.84 -0.06 0.00 -2.93 0.00 0.00 61.98 58.26 1i4v s VAL 74 Cb -0.18 -3.51 0.13 0.00 -1.53 0.00 0.00 36.38 31.28 1i4v s VAL 74 CO -0.22 -0.07 0.33 -1.81 -3.33 0.00 0.00 175.10 170.00 1i4v s ASP 75 N -3.09 5.54 -0.69 3.54 1.11 -1.17 0.12 116.67 122.04 1i4v s ASP 75 Ca 0.33 -2.13 -0.26 0.00 0.18 0.00 0.00 52.55 50.66 1i4v s ASP 75 Cb -0.11 -1.94 0.04 0.00 1.07 0.00 0.00 42.92 41.98 1i4v s ASP 75 CO 0.26 -0.59 1.19 -0.94 1.18 0.00 0.00 175.17 176.27 1i4v s SER 76 N 2.08 6.22 0.00 0.27 1.04 -0.93 -1.61 113.70 120.78 1i4v s SER 76 Ca 0.09 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1i4v s SER 76 Cb -0.23 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1i4v s SER 76 CO -0.03 -1.67 0.00 0.00 0.98 0.00 0.00 173.24 172.52 1i4v n ALA 77 N 8.82 0.00 -2.12 5.32 0.00 -1.15 -4.06 120.51 127.33 1i4v n ALA 77 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1i4v n ALA 77 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.93 3.24 -0.39 0.00 1.01 -1.26 -4.99 121.20 116.88 1i4v s ILE 78 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 1i4v s ILE 78 Cb 0.00 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.38 1i4v s ILE 78 CO 0.00 -0.05 0.24 -0.89 0.00 0.00 0.00 174.94 174.24 1i4v s THR 79 N -2.38 4.87 0.00 2.92 2.01 -1.26 -3.84 115.64 117.96 1i4v s THR 79 Ca 0.53 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1i4v s THR 79 Cb -0.10 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1i4v s THR 79 CO 0.34 -0.25 0.00 0.00 -0.69 0.00 0.00 174.62 174.01 1i4v n ALA 80 N 5.07 0.00 -3.08 7.40 0.00 -1.07 -4.96 120.51 123.87 1i4v n ALA 80 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1i4v n ALA 80 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.94 0.01 0.52 0.00 0.01 -1.26 -5.04 113.70 106.00 1i4v s SER 81 Ca 0.00 -0.21 -0.21 0.00 1.31 0.00 0.00 55.95 56.84 1i4v s SER 81 Cb 0.00 0.23 -0.07 0.00 0.21 0.00 0.00 66.02 66.38 1i4v s SER 81 CO 0.00 -0.41 1.03 1.41 0.41 0.00 0.00 173.24 175.68 1i4v n HIS 82 N 1.30 1.13 -2.10 2.43 8.25 -1.26 -3.08 115.22 121.89 1i4v n HIS 82 Ca -0.22 0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1i4v n HIS 82 Cb 0.56 -2.20 0.00 0.00 1.12 0.00 0.00 29.99 29.47 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 1.18 0.75 3.18 -1.41 0.00 -1.18 -4.97 105.19 102.73 1i4v n GLY 83 Ca 0.11 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.92 -0.14 -1.01 1.61 1.01 -1.18 -5.00 116.67 109.04 1i4v s ASP 84 Ca 0.00 0.08 -0.23 0.00 0.71 0.00 0.00 52.55 53.11 1i4v s ASP 84 Cb 0.00 0.32 -0.04 0.00 1.01 0.00 0.00 42.92 44.22 1i4v s ASP 84 CO 0.00 -0.35 1.87 -0.51 0.21 0.00 0.00 175.17 176.39 1i4v s ILE 85 N -1.05 3.57 0.31 0.77 2.07 -1.26 -3.66 121.20 121.95 1i4v s ILE 85 Ca -0.11 -0.66 0.06 0.00 -1.41 0.00 0.00 60.65 58.53 1i4v s ILE 85 Cb -0.05 -4.36 -0.06 0.00 0.13 0.00 0.00 42.46 38.12 1i4v s ILE 85 CO 0.03 -1.15 -0.02 0.68 -1.91 0.00 0.00 174.94 172.57 1i4v s VAL 86 N 9.35 1.54 -0.19 4.00 -7.23 -1.25 -4.37 120.40 122.24 1i4v s VAL 86 Ca 0.66 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.57 1i4v s VAL 86 Cb -0.04 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1i4v s VAL 86 CO 0.02 -0.18 0.52 -0.51 -0.31 0.00 0.00 175.10 174.64 1i4v s ILE 87 N -3.07 5.11 0.32 -0.62 1.10 -1.26 -2.14 121.20 120.64 1i4v s ILE 87 Ca 0.32 0.96 -0.09 0.00 -0.51 0.00 0.00 60.65 61.34 1i4v s ILE 87 Cb 0.06 -3.84 -0.06 0.00 0.15 0.00 0.00 42.46 38.76 1i4v s ILE 87 CO 0.14 0.19 0.64 0.00 -2.11 0.00 0.00 174.94 173.80 1i4v s ALA 88 N 1.51 3.49 -0.03 1.50 0.00 0.17 -1.25 121.76 127.15 1i4v s ALA 88 Ca 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1i4v s ALA 88 Cb -0.15 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.49 1i4v s ALA 88 CO 0.10 0.22 0.06 0.00 0.00 0.00 0.00 175.76 176.13 1i4v s ALA 89 N -2.12 0.01 -0.19 0.00 0.00 0.40 -2.70 121.76 117.16 1i4v s ALA 89 Ca 0.48 0.38 -0.09 0.00 0.00 0.00 0.00 51.96 52.73 1i4v s ALA 89 Cb -0.11 -0.32 0.07 0.00 0.00 0.00 0.00 23.12 22.77 1i4v s ALA 89 CO 0.27 -0.15 0.45 0.54 0.00 0.00 0.00 175.76 176.88 1i4v s VAL 90 N 1.17 -0.25 -1.39 0.00 0.11 -1.25 -2.86 120.40 115.93 1i4v s VAL 90 Ca -0.08 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1i4v s VAL 90 Cb -0.13 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1i4v s VAL 90 CO -0.04 0.04 0.00 0.47 -3.33 0.00 0.00 175.10 172.25 1i4v n ASP 91 N 4.66 -3.74 -0.05 3.54 8.00 -1.26 -0.96 116.55 126.74 1i4v n ASP 91 Ca -0.18 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1i4v n ASP 91 Cb 0.54 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 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 -0.38 1.35 3.88 0.44 0.00 -1.26 -5.10 105.19 104.13 1i4v n GLY 92 Ca -0.14 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.72 3.09 -0.22 1.61 2.02 -0.13 -5.11 118.70 118.24 1i4v s GLU 93 Ca 0.00 -0.98 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 1i4v s GLU 93 Cb 0.00 -2.68 0.10 0.00 0.10 0.00 0.00 34.13 31.65 1i4v s GLU 93 CO 0.00 0.36 0.21 0.12 0.02 0.00 0.00 175.26 175.97 1i4v s PHE 94 N -2.10 -0.20 0.01 1.61 5.36 -1.25 -3.78 117.98 117.62 1i4v s PHE 94 Ca 0.35 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1i4v s PHE 94 Cb -0.08 -0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 42.13 1i4v s PHE 94 CO 0.27 -0.66 -0.03 0.95 -1.46 0.00 0.00 175.22 174.29 1i4v s THR 95 N 2.29 0.14 -0.21 0.12 -4.23 -1.10 -4.94 115.64 107.72 1i4v s THR 95 Ca 0.07 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.04 1i4v s THR 95 Cb -0.16 -0.21 -0.02 0.00 1.34 0.00 0.00 72.50 73.46 1i4v s THR 95 CO -0.17 -0.22 -0.01 -0.69 -0.54 0.00 0.00 174.62 172.99 1i4v s VAL 96 N -0.72 3.83 0.00 2.29 1.01 -1.26 0.46 120.40 126.00 1i4v s VAL 96 Ca -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1i4v s VAL 96 Cb -0.05 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1i4v s VAL 96 CO -0.00 0.42 0.00 2.29 0.00 0.00 0.00 175.10 177.81 1i4v n LYS 97 N 4.39 0.00 -2.39 2.72 0.00 -0.91 -4.60 118.16 117.37 1i4v n LYS 97 Ca -0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.72 1i4v n LYS 97 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.52 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 3.33 0.19 -1.58 1.02 -1.24 -3.93 119.74 115.53 1i4v s LYS 98 Ca 0.00 0.50 0.11 0.00 0.02 0.00 0.00 55.97 56.60 1i4v s LYS 98 Cb 0.00 -4.11 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 1i4v s LYS 98 CO 0.00 -1.90 -0.22 -0.48 -0.92 0.00 0.00 175.35 171.83 1i4v s LEU 99 N 5.98 2.51 -0.11 3.17 2.34 -1.26 -4.49 118.68 126.82 1i4v s LEU 99 Ca 0.53 -0.83 0.02 0.00 0.06 0.00 0.00 54.13 53.91 1i4v s LEU 99 Cb -0.11 -1.24 -0.01 0.00 -0.56 0.00 0.00 46.19 44.27 1i4v s LEU 99 CO 0.26 0.12 -0.17 -1.10 -1.06 0.00 0.00 176.35 174.40 1i4v s GLN 100 N -2.69 3.13 0.00 1.48 -0.21 -1.12 -3.13 119.66 117.12 1i4v s GLN 100 Ca 0.21 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 54.84 1i4v s GLN 100 Cb -0.08 -2.48 0.00 0.00 1.00 0.00 0.00 33.01 31.45 1i4v s GLN 100 CO 0.11 0.27 0.00 1.28 -2.12 0.00 0.00 175.29 174.83 1i4v n LEU 101 N 3.32 0.00 0.12 2.90 4.77 -1.22 -1.74 117.00 125.14 1i4v n LEU 101 Ca -0.18 -0.23 -0.08 0.00 -0.03 0.00 0.00 56.01 55.48 1i4v n LEU 101 Cb 0.53 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1i4v n LEU 101 CO 0.29 0.00 0.26 0.03 -1.33 0.00 0.00 177.39 176.64 1i4v h ARG 102 N 0.00 -0.38 0.61 3.23 -0.00 -1.97 -3.36 114.38 112.51 1i4v h ARG 102 Ca 0.00 0.03 -0.03 0.00 -0.50 0.00 0.00 59.98 59.48 1i4v h ARG 102 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 29.97 30.06 1i4v h ARG 102 CO 0.00 -0.13 -0.29 -1.00 0.00 0.00 0.00 179.97 178.55 1i4v h PRO 103 N -1.04 -0.79 -3.46 0.04 0.13 -2.02 -3.46 132.00 121.40 1i4v h PRO 103 Ca -0.04 0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.08 1i4v h PRO 103 Cb 0.42 0.18 -0.14 0.00 0.13 0.00 0.00 31.00 31.59 1i4v h PRO 103 CO 0.07 -0.48 -0.15 0.99 -0.23 0.00 0.00 178.00 178.19 1i4v s THR 104 N -5.46 0.09 -0.72 1.56 2.01 -1.26 -5.10 115.64 106.76 1i4v s THR 104 Ca -0.16 -0.71 -0.27 0.00 0.31 0.00 0.00 61.69 60.86 1i4v s THR 104 Cb 0.03 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.39 1i4v s THR 104 CO 0.56 -0.39 1.26 0.68 -0.69 0.00 0.00 174.62 176.04 1i4v s VAL 105 N -3.67 3.77 -0.03 3.82 -7.23 -1.26 -3.45 120.40 112.36 1i4v s VAL 105 Ca 0.02 0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.64 1i4v s VAL 105 Cb 0.02 -4.89 0.01 0.00 0.56 0.00 0.00 36.38 32.08 1i4v s VAL 105 CO -0.11 -1.80 -0.05 -1.10 -0.31 0.00 0.00 175.10 171.74 1i4v s GLN 106 N 5.61 0.67 0.21 4.82 -1.52 -0.71 -2.68 119.66 126.05 1i4v s GLN 106 Ca 0.35 -0.14 0.10 0.00 -1.95 0.00 0.00 55.36 53.72 1i4v s GLN 106 Cb -0.08 -0.68 -0.04 0.00 -0.22 0.00 0.00 33.01 31.99 1i4v s GLN 106 CO 0.16 0.01 -0.10 -1.17 -0.25 0.00 0.00 175.29 173.93 1i4v s LEU 107 N 0.49 2.92 -0.28 2.90 2.96 -0.29 -2.78 118.68 124.60 1i4v s LEU 107 Ca -0.06 -0.67 -0.00 0.00 -0.22 0.00 0.00 54.13 53.18 1i4v s LEU 107 Cb -0.10 -1.56 0.14 0.00 0.50 0.00 0.00 46.19 45.17 1i4v s LEU 107 CO -0.00 0.08 0.34 -0.51 -1.32 0.00 0.00 176.35 174.94 1i4v s ILE 108 N -1.91 -0.50 0.30 6.68 -1.16 -1.26 -2.36 121.20 120.99 1i4v s ILE 108 Ca 0.26 -0.35 -0.29 0.00 -0.51 0.00 0.00 60.65 59.76 1i4v s ILE 108 Cb -0.08 -0.95 -0.10 0.00 0.61 0.00 0.00 42.46 41.94 1i4v s ILE 108 CO 0.16 -0.35 1.42 -2.16 -2.81 0.00 0.00 174.94 171.20 1i4v s PRO 109 N 2.44 4.25 -0.00 3.50 0.05 -1.26 -4.52 135.00 139.46 1i4v s PRO 109 Ca 0.10 2.36 0.02 0.00 0.05 0.00 0.00 61.00 63.52 1i4v s PRO 109 Cb -0.14 -3.06 -0.02 0.00 0.05 0.00 0.00 34.50 31.33 1i4v s PRO 109 CO -0.29 -0.39 0.06 -1.33 0.05 0.00 0.00 177.00 175.10 1i4v n MET 110 N 1.47 4.79 -0.24 4.56 0.00 -1.26 -3.76 117.12 122.68 1i4v n MET 110 Ca 0.04 -0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.77 1i4v n MET 110 Cb 0.40 -0.70 0.15 0.00 0.00 0.00 0.00 33.22 33.07 1i4v n MET 110 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 1i4v h ASN 111 N 0.00 -0.27 0.00 7.83 -1.24 -1.88 -3.41 115.58 116.61 1i4v h ASN 111 Ca 0.00 0.18 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1i4v h ASN 111 Cb 0.05 0.30 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1i4v h ASN 111 CO 0.00 -0.14 0.00 -1.54 -1.29 0.00 0.00 177.43 174.46 1i4v n SER 112 N -5.30 0.00 -3.72 1.15 3.41 -1.26 -4.71 113.62 103.18 1i4v n SER 112 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.32 1i4v n SER 112 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.44 5.90 -1.79 7.33 0.00 -1.26 -4.98 120.51 125.27 1i4v n ALA 113 Ca 0.00 -4.25 -0.42 0.00 0.00 0.00 0.00 53.44 48.77 1i4v n ALA 113 Cb 0.00 -2.88 -0.03 0.00 0.00 0.00 0.00 19.45 16.54 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 -0.33 2.61 -0.40 0.00 1.13 -1.25 -4.59 117.35 114.53 1i4v s TYR 114 Ca 0.44 0.27 0.07 0.00 -1.41 0.00 0.00 57.07 56.45 1i4v s TYR 114 Cb 0.13 -4.09 0.18 0.00 -1.10 0.00 0.00 41.96 37.08 1i4v s TYR 114 CO -0.03 -4.26 0.59 -1.12 -2.51 0.00 0.00 175.55 168.22 1i4v s SER 115 N 1.87 -1.12 -0.28 -0.18 0.01 -1.26 -4.98 113.70 107.77 1i4v s SER 115 Ca 0.76 -0.85 -0.28 0.00 1.31 0.00 0.00 55.95 56.89 1i4v s SER 115 Cb -0.46 1.75 -0.06 0.00 0.21 0.00 0.00 66.02 67.47 1i4v s SER 115 CO 0.33 -0.19 2.27 -2.65 0.41 0.00 0.00 173.24 173.41 1i4v n PRO 116 N 4.45 1.76 -3.96 12.44 -0.01 -1.26 -4.53 135.00 143.89 1i4v n PRO 116 Ca 0.11 0.42 -0.09 0.00 -0.01 0.00 0.00 63.50 63.92 1i4v n PRO 116 Cb 0.55 -3.27 -0.11 0.00 -0.01 0.00 0.00 33.50 30.66 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 9.11 0.09 0.74 4.25 2.07 -0.99 -4.99 121.20 131.48 1i4v s ILE 117 Ca 1.01 -0.78 -0.11 0.00 -1.41 0.00 0.00 60.65 59.36 1i4v s ILE 117 Cb -0.31 -0.22 0.04 0.00 0.13 0.00 0.00 42.46 42.09 1i4v s ILE 117 CO 0.34 -0.43 1.08 0.28 -1.91 0.00 0.00 174.94 174.30 1i4v s THR 118 N -1.24 3.62 0.00 4.00 -1.32 -1.26 -1.14 115.64 118.30 1i4v s THR 118 Ca -0.14 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 60.87 1i4v s THR 118 Cb -0.09 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.71 1i4v s THR 118 CO -0.01 -0.69 0.00 -0.38 -2.21 0.00 0.00 174.62 171.34 1i4v n ILE 119 N -3.32 0.00 -2.92 5.08 5.41 -1.09 -4.78 119.36 117.74 1i4v n ILE 119 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1i4v n ILE 119 Cb 0.54 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 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 -1.09 0.51 -3.75 4.38 2.88 -1.26 -5.05 113.62 110.24 1i4v n SER 120 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1i4v n SER 120 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 0.00 6.95 -3.88 -3.46 2.88 -1.26 -4.72 113.62 110.13 1i4v n SER 121 Ca 0.00 -3.45 -0.29 0.00 -1.33 0.00 0.00 58.87 53.80 1i4v n SER 121 Cb 0.00 -1.27 0.03 0.00 -0.75 0.00 0.00 64.21 62.22 1i4v n SER 121 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1i4v n GLU 122 N 1.08 -5.49 0.00 -1.46 1.02 -1.26 -4.93 120.64 109.60 1i4v n GLU 122 Ca 0.42 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 1i4v n GLU 122 Cb 0.29 -5.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.26 1i4v n GLU 122 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1i4v n ASP 123 N -2.87 0.00 -3.23 1.62 9.92 -1.26 -4.90 116.55 115.83 1i4v n ASP 123 Ca -0.01 0.14 -0.18 0.00 -0.53 0.00 0.00 54.79 54.21 1i4v n ASP 123 Cb 0.55 -0.12 -0.07 0.00 -0.64 0.00 0.00 41.12 40.85 1i4v n ASP 123 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1i4v s THR 124 N -0.28 -0.23 -0.31 -3.53 2.01 -1.26 -5.09 115.64 106.96 1i4v s THR 124 Ca 0.00 -1.65 0.02 0.00 0.31 0.00 0.00 61.69 60.37 1i4v s THR 124 Cb 0.00 -0.74 0.09 0.00 0.01 0.00 0.00 72.50 71.86 1i4v s THR 124 CO 0.00 -0.71 0.03 -0.22 -0.69 0.00 0.00 174.62 173.04 1i4v s LEU 125 N 0.75 3.54 -0.01 4.42 1.98 -1.26 -4.28 118.68 123.83 1i4v s LEU 125 Ca 0.26 -1.77 -0.09 0.00 -2.89 0.00 0.00 54.13 49.64 1i4v s LEU 125 Cb -0.04 -1.32 0.01 0.00 0.66 0.00 0.00 46.19 45.49 1i4v s LEU 125 CO -0.10 -0.35 0.18 -0.62 -1.89 0.00 0.00 176.35 173.58 1i4v s ASP 126 N 1.21 -0.05 0.60 3.68 -1.08 -1.14 -4.96 116.67 114.93 1i4v s ASP 126 Ca 0.06 -0.08 -0.17 0.00 -0.52 0.00 0.00 52.55 51.84 1i4v s ASP 126 Cb -0.19 0.25 -0.03 0.00 -1.46 0.00 0.00 42.92 41.50 1i4v s ASP 126 CO -0.12 -0.36 1.10 -0.69 0.52 0.00 0.00 175.17 175.61 1i4v s VAL 127 N -1.23 3.40 -0.22 1.11 1.01 -1.26 -0.45 120.40 122.76 1i4v s VAL 127 Ca -0.13 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.59 1i4v s VAL 127 Cb -0.06 -3.25 -0.20 0.00 0.00 0.00 0.00 36.38 32.87 1i4v s VAL 127 CO 0.02 -0.33 -0.04 0.33 0.00 0.00 0.00 175.10 175.08 1i4v n PHE 128 N -1.92 0.34 -1.52 5.22 7.35 -0.38 -4.79 117.46 121.77 1i4v n PHE 128 Ca 0.10 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 1i4v n PHE 128 Cb 0.52 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 39.30 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 2.14 4.31 0.33 7.13 0.00 -1.26 -2.92 105.19 114.93 1i4v n GLY 129 Ca -0.41 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.70 1.61 3.14 -0.63 -2.59 118.33 116.16 1i4v n VAL 130 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1i4v n VAL 130 Cb 0.00 0.33 -0.01 0.00 -1.06 0.00 0.00 33.84 33.10 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 -0.46 1.55 0.11 -1.26 -4.83 120.40 115.51 1i4v s VAL 131 Ca 0.00 -0.47 0.06 0.00 -2.93 0.00 0.00 61.98 58.63 1i4v s VAL 131 Cb 0.00 -2.01 0.18 0.00 -1.53 0.00 0.00 36.38 33.02 1i4v s VAL 131 CO 0.00 0.00 0.56 -0.63 -3.33 0.00 0.00 175.10 171.70 1i4v s ILE 132 N -2.90 -0.52 -0.12 7.04 1.09 -1.25 -3.05 121.20 121.49 1i4v s ILE 132 Ca 0.13 -1.38 -0.29 0.00 -1.10 0.00 0.00 60.65 58.01 1i4v s ILE 132 Cb 0.01 -0.46 -0.03 0.00 -1.06 0.00 0.00 42.46 40.92 1i4v s ILE 132 CO -0.00 -0.45 1.42 -1.00 -0.10 0.00 0.00 174.94 174.81 1i4v s HIS 133 N 0.81 2.51 -0.21 3.97 3.76 0.22 -4.73 115.29 121.62 1i4v s HIS 133 Ca 0.28 0.69 -0.22 0.00 -0.15 0.00 0.00 55.06 55.66 1i4v s HIS 133 Cb -0.02 -3.67 -0.02 0.00 1.11 0.00 0.00 32.58 29.99 1i4v s HIS 133 CO -0.09 -2.55 0.67 0.14 -0.85 0.00 0.00 174.74 172.06 1i4v s VAL 134 N 3.67 4.98 -0.62 -0.90 -7.23 -1.26 -0.95 120.40 118.09 1i4v s VAL 134 Ca 0.62 1.26 -0.16 0.00 -1.81 0.00 0.00 61.98 61.90 1i4v s VAL 134 Cb -0.26 -3.98 0.15 0.00 0.56 0.00 0.00 36.38 32.85 1i4v s VAL 134 CO 0.21 0.06 0.58 -0.69 -0.31 0.00 0.00 175.10 174.95 1i4v s VAL 135 N 2.18 5.29 -0.58 1.32 1.01 -0.71 -5.00 120.40 123.90 1i4v s VAL 135 Ca 0.30 -1.72 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 1i4v s VAL 135 Cb -0.16 -4.38 0.04 0.00 0.00 0.00 0.00 36.38 31.88 1i4v s VAL 135 CO 0.10 -0.93 1.09 -0.54 0.00 0.00 0.00 175.10 174.82 1i4v s LYS 136 N 1.30 3.41 -0.38 2.72 1.02 -1.26 -2.75 119.74 123.79 1i4v s LYS 136 Ca 0.07 -0.03 -0.27 0.00 0.02 0.00 0.00 55.97 55.76 1i4v s LYS 136 Cb -0.25 -4.05 -0.05 0.00 -0.52 0.00 0.00 37.83 32.97 1i4v s LYS 136 CO 0.00 -1.63 2.19 0.00 -0.92 0.00 0.00 175.35 174.99 1i4v s ALA 137 N 4.55 2.27 -0.34 5.17 0.00 -1.26 -4.92 121.76 127.23 1i4v s ALA 137 Ca 0.37 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 1i4v s ALA 137 Cb -0.10 -4.20 0.06 0.00 0.00 0.00 0.00 23.12 18.89 1i4v s ALA 137 CO 0.22 -3.53 0.07 -1.64 0.00 0.00 0.00 175.76 170.88 1i4v s MET 138 N 7.05 2.35 0.00 0.00 -1.94 -1.26 -5.09 119.30 120.42 1i4v s MET 138 Ca 0.93 -1.40 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1i4v s MET 138 Cb -0.23 -3.34 0.01 0.00 2.01 0.00 0.00 34.83 33.28 1i4v s MET 138 CO 0.30 -0.75 0.53 2.89 -0.01 0.00 0.00 175.02 177.98