#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4v n PHE 26 N 0.00 -1.14 -0.46 0.00 -1.74 -1.26 -5.13 117.46 107.72 1i4v n PHE 26 Ca 0.00 -3.09 -0.29 0.00 -0.56 0.00 0.00 57.45 53.51 1i4v n PHE 26 Cb 0.00 0.30 0.27 0.00 1.52 0.00 0.00 39.48 41.58 1i4v n PHE 26 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1i4v s PRO 27 N -1.02 -1.97 -0.45 3.97 0.04 -1.26 -5.03 135.00 129.29 1i4v s PRO 27 Ca 0.34 0.48 0.06 0.00 0.04 0.00 0.00 61.00 61.92 1i4v s PRO 27 Cb 0.26 -1.46 0.21 0.00 0.04 0.00 0.00 34.50 33.55 1i4v s PRO 27 CO -0.11 -4.33 0.60 0.45 0.04 0.00 0.00 177.00 173.65 1i4v n SER 28 N -5.29 -1.53 -4.56 6.66 2.88 -1.26 -5.07 113.62 105.45 1i4v n SER 28 Ca 0.07 -2.79 -0.24 0.00 -1.33 0.00 0.00 58.87 54.59 1i4v n SER 28 Cb 0.57 0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 64.46 1i4v n SER 28 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1i4v s PRO 29 N 0.05 1.88 -0.17 -1.46 0.01 -1.26 -4.71 135.00 129.33 1i4v s PRO 29 Ca 0.33 0.78 0.02 0.00 0.01 0.00 0.00 61.00 62.14 1i4v s PRO 29 Cb 0.11 -4.71 -0.22 0.00 0.01 0.00 0.00 34.50 29.68 1i4v s PRO 29 CO -0.15 -3.89 0.14 0.00 0.01 0.00 0.00 177.00 173.10 1i4v n ALA 30 N 17.16 1.25 -3.60 -1.55 0.00 -1.26 -4.90 120.51 127.61 1i4v n ALA 30 Ca 0.42 -0.90 -0.28 0.00 0.00 0.00 0.00 53.44 52.67 1i4v n ALA 30 Cb 0.48 -0.42 -0.17 0.00 0.00 0.00 0.00 19.45 19.35 1i4v n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i4v s ALA 31 N -2.54 1.68 -0.29 0.00 0.00 -1.26 -5.11 121.76 114.24 1i4v s ALA 31 Ca -0.23 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 1i4v s ALA 31 Cb 0.08 -0.80 0.12 0.00 0.00 0.00 0.00 23.12 22.51 1i4v s ALA 31 CO 0.72 -0.03 0.78 -0.51 0.00 0.00 0.00 175.76 176.73 1i4v s ASP 32 N 0.90 -0.85 0.67 0.00 1.01 -1.26 -5.17 116.67 111.97 1i4v s ASP 32 Ca -0.08 1.29 -0.00 0.00 0.71 0.00 0.00 52.55 54.46 1i4v s ASP 32 Cb -0.15 1.58 0.00 0.00 1.01 0.00 0.00 42.92 45.36 1i4v s ASP 32 CO -0.00 -0.19 0.00 -1.22 0.21 0.00 0.00 175.17 173.97 1i4v n TYR 33 N 4.50 -3.67 -2.72 4.23 4.02 -1.26 -5.06 117.16 117.20 1i4v n TYR 33 Ca -0.17 -0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.68 1i4v n TYR 33 Cb 0.56 -0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.96 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 -1.68 0.52 -3.57 -0.72 0.24 -1.26 -5.04 118.33 106.83 1i4v n VAL 34 Ca 0.00 -1.98 -0.29 0.00 -2.04 0.00 0.00 64.34 60.03 1i4v n VAL 34 Cb 0.00 1.03 -0.13 0.00 -1.47 0.00 0.00 33.84 33.28 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 -1.50 0.81 0.00 7.34 0.41 -1.26 -4.91 118.70 119.60 1i4v s GLU 35 Ca 0.20 -1.54 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 1i4v s GLU 35 Cb 0.41 -1.70 0.00 0.00 -1.78 0.00 0.00 34.13 31.06 1i4v s GLU 35 CO -0.07 -1.18 0.00 0.94 -0.49 0.00 0.00 175.26 174.46 1i4v n GLN 36 N 3.93 0.00 -2.74 1.61 -0.06 -1.26 -5.12 117.38 113.74 1i4v n GLN 36 Ca 0.10 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.06 1i4v n GLN 36 Cb 0.36 -0.04 -0.03 0.00 -4.06 0.00 0.00 30.24 26.47 1i4v n GLN 36 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1i4v n ARG 37 N -2.20 -3.68 -1.00 3.69 0.63 -1.26 -4.67 116.66 108.17 1i4v n ARG 37 Ca 0.00 2.86 -0.26 0.00 -0.92 0.00 0.00 57.85 59.53 1i4v n ARG 37 Cb 0.00 -4.12 -0.06 0.00 0.45 0.00 0.00 32.46 28.73 1i4v n ARG 37 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1i4v n ILE 38 N 1.75 3.23 -2.43 5.15 3.06 -1.26 -4.73 119.36 124.13 1i4v n ILE 38 Ca -0.28 -1.86 -0.42 0.00 -2.50 0.00 0.00 62.75 57.69 1i4v n ILE 38 Cb 0.45 -2.27 0.01 0.00 0.54 0.00 0.00 39.64 38.36 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 3.48 5.38 0.00 9.51 -0.08 -1.26 -4.86 116.55 128.71 1i4v n ASP 39 Ca 0.56 -3.16 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 1i4v n ASP 39 Cb 0.35 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.37 1i4v n ASP 39 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1i4v n LEU 40 N 3.38 0.00 -0.37 -2.67 -0.00 -1.26 0.19 117.00 116.27 1i4v n LEU 40 Ca 0.38 0.91 0.32 0.00 -0.00 0.00 0.00 56.01 57.61 1i4v n LEU 40 Cb 0.35 -0.41 0.64 0.00 -0.00 0.00 0.00 43.42 44.01 1i4v n LEU 40 CO 0.80 -0.41 1.28 -0.55 -0.00 0.00 0.00 177.39 178.51 1i4v h ASN 41 N 0.00 0.22 0.64 1.96 -1.07 -1.96 1.20 115.58 116.58 1i4v h ASN 41 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 56.30 56.43 1i4v h ASN 41 Cb 0.00 0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.28 1i4v h ASN 41 CO 0.00 -0.00 -0.24 1.67 0.07 0.00 0.00 177.43 178.93 1i4v n GLN 42 N -4.44 0.16 -0.03 4.14 -0.06 -0.20 -2.53 117.38 114.42 1i4v n GLN 42 Ca 0.29 -0.06 -0.02 0.00 -2.00 0.00 0.00 57.00 55.21 1i4v n GLN 42 Cb 1.18 -1.50 -0.07 0.00 -4.06 0.00 0.00 30.24 25.79 1i4v n GLN 42 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1i4v n LEU 43 N -1.36 0.00 -0.00 1.69 -0.00 0.37 -4.61 117.00 113.08 1i4v n LEU 43 Ca 0.08 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.19 1i4v n LEU 43 Cb 0.33 0.16 -0.12 0.00 -0.00 0.00 0.00 43.42 43.79 1i4v n LEU 43 CO 0.30 0.16 -0.12 0.18 -0.00 0.00 0.00 177.39 177.90 1i4v n LEU 44 N -2.20 0.87 0.00 1.47 4.32 0.16 -5.00 117.00 116.62 1i4v n LEU 44 Ca -0.11 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 1i4v n LEU 44 Cb 0.65 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.45 1i4v n LEU 44 CO 0.19 0.22 0.00 -0.38 -1.22 0.00 0.00 177.39 176.20 1i4v n ILE 45 N -1.57 0.00 0.02 -0.08 5.41 -1.05 -5.04 119.36 117.05 1i4v n ILE 45 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1i4v n ILE 45 Cb 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 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 0.00 -2.18 0.38 6.02 -1.22 -4.83 117.38 115.55 1i4v n GLN 46 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1i4v n GLN 46 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 -2.00 2.75 0.04 1.08 3.76 -1.26 -4.94 115.29 114.72 1i4v s HIS 47 Ca 0.00 1.52 -0.26 0.00 -0.15 0.00 0.00 55.06 56.16 1i4v s HIS 47 Cb 0.00 -3.43 -0.17 0.00 1.11 0.00 0.00 32.58 30.09 1i4v s HIS 47 CO 0.00 -1.73 1.48 -1.00 -0.85 0.00 0.00 174.74 172.64 1i4v h PRO 48 N 1.79 -0.32 -0.51 8.40 0.14 -2.00 -3.39 132.00 136.11 1i4v h PRO 48 Ca -0.50 0.02 -0.27 0.00 0.14 0.00 0.00 66.00 65.40 1i4v h PRO 48 Cb 1.26 0.07 -0.34 0.00 0.14 0.00 0.00 31.00 32.13 1i4v h PRO 48 CO 0.59 -0.09 -0.96 0.43 0.14 0.00 0.00 178.00 178.11 1i4v n SER 49 N -5.16 0.81 -1.62 1.44 7.64 -1.26 -4.89 113.62 110.58 1i4v n SER 49 Ca -0.09 -2.30 -0.07 0.00 1.01 0.00 0.00 58.87 57.42 1i4v n SER 49 Cb 0.21 -0.20 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.57 3.86 -2.83 -0.43 0.00 -1.26 -5.04 120.51 114.24 1i4v n ALA 50 Ca 0.03 -3.29 -0.20 0.00 0.00 0.00 0.00 53.44 49.98 1i4v n ALA 50 Cb 0.82 -0.47 -0.15 0.00 0.00 0.00 0.00 19.45 19.65 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 -3.44 0.84 0.11 0.00 2.01 -1.26 -1.76 115.64 112.15 1i4v s THR 51 Ca 0.41 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.06 1i4v s THR 51 Cb 0.38 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 1i4v s THR 51 CO -0.04 0.25 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.73 1i4v s TYR 52 N -0.03 2.71 0.09 4.92 1.51 0.32 -4.73 117.35 122.14 1i4v s TYR 52 Ca 0.00 -0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 55.85 1i4v s TYR 52 Cb -0.06 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1i4v s TYR 52 CO 0.00 0.43 0.09 -0.59 -1.11 0.00 0.00 175.55 174.37 1i4v s PHE 53 N -1.25 0.48 -0.22 2.71 -0.12 -1.26 0.14 117.98 118.46 1i4v s PHE 53 Ca 0.21 -0.94 -0.13 0.00 -0.05 0.00 0.00 56.93 56.03 1i4v s PHE 53 Cb -0.11 -0.28 0.07 0.00 -0.63 0.00 0.00 43.02 42.07 1i4v s PHE 53 CO 0.13 -0.50 0.53 0.54 -0.05 0.00 0.00 175.22 175.88 1i4v s VAL 54 N -3.94 -0.01 0.02 -2.49 0.11 -1.09 -4.94 120.40 108.05 1i4v s VAL 54 Ca 0.12 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.91 1i4v s VAL 54 Cb 0.06 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 1i4v s VAL 54 CO -0.06 0.02 1.30 -0.54 -3.33 0.00 0.00 175.10 172.49 1i4v s LYS 55 N 1.33 4.34 -0.71 1.54 -0.14 -1.26 -2.19 119.74 122.64 1i4v s LYS 55 Ca -0.08 1.86 -0.27 0.00 -1.36 0.00 0.00 55.97 56.12 1i4v s LYS 55 Cb -0.06 -3.47 0.03 0.00 -1.68 0.00 0.00 37.83 32.65 1i4v s LYS 55 CO -0.14 -0.45 1.25 0.00 -0.76 0.00 0.00 175.35 175.25 1i4v s ALA 56 N 1.85 2.81 -0.42 5.17 0.00 -0.91 -4.87 121.76 125.39 1i4v s ALA 56 Ca 0.61 -1.31 0.10 0.00 0.00 0.00 0.00 51.96 51.35 1i4v s ALA 56 Cb -0.30 -4.20 0.31 0.00 0.00 0.00 0.00 23.12 18.93 1i4v s ALA 56 CO 0.27 -3.16 0.70 0.45 0.00 0.00 0.00 175.76 174.02 1i4v n SER 57 N 9.13 1.31 0.00 0.00 2.88 -1.26 -2.58 113.62 123.10 1i4v n SER 57 Ca 0.03 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 1i4v n SER 57 Cb 0.49 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.57 0.57 2.29 0.46 0.00 -1.26 -4.84 105.19 102.97 1i4v n GLY 58 Ca 0.25 0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.00 -0.00 1.61 5.75 -1.26 -3.40 116.55 118.25 1i4v n ASP 59 Ca 0.00 -1.77 0.08 0.00 -0.01 0.00 0.00 54.79 53.09 1i4v n ASP 59 Cb 0.00 0.55 -0.10 0.00 -1.03 0.00 0.00 41.12 40.54 1i4v n ASP 59 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1i4v n SER 60 N -0.77 0.81 -1.43 -1.12 7.64 -1.26 -4.61 113.62 112.88 1i4v n SER 60 Ca -0.12 -0.81 -0.01 0.00 1.01 0.00 0.00 58.87 58.95 1i4v n SER 60 Cb 0.72 1.08 -0.01 0.00 -1.01 0.00 0.00 64.21 64.98 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 -1.46 0.18 0.10 1.43 2.81 -1.26 -3.46 117.12 115.45 1i4v n MET 61 Ca 0.03 -1.62 0.20 0.00 -1.81 0.00 0.00 57.70 54.50 1i4v n MET 61 Cb 0.28 0.14 0.74 0.00 -0.71 0.00 0.00 33.22 33.67 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 5.90 0.36 -0.88 2.02 2.04 -1.80 0.50 117.51 125.65 1i4v h ILE 62 Ca -0.38 0.00 0.25 0.00 1.00 0.00 0.00 64.86 65.73 1i4v h ILE 62 Cb 1.62 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1i4v h ILE 62 CO -0.08 0.00 0.67 -2.24 0.00 0.00 0.00 178.15 176.50 1i4v h ASP 63 N 0.00 0.00 0.46 1.72 3.04 -1.87 0.57 116.42 120.34 1i4v h ASP 63 Ca 0.19 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.68 1i4v h ASP 63 Cb 1.08 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.35 1i4v h ASP 63 CO -0.00 0.00 -1.62 1.23 -2.04 0.00 0.00 179.24 176.81 1i4v h GLY 64 N 0.00 0.17 0.00 7.15 0.00 -0.22 -3.48 103.07 106.69 1i4v h GLY 64 Ca 0.42 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1i4v h GLY 64 CO -0.00 0.39 0.00 0.61 0.00 0.00 0.00 176.54 177.54 1i4v n GLY 65 N 1.66 0.51 3.56 4.60 0.00 0.20 -4.93 105.19 110.78 1i4v n GLY 65 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 3.65 -0.49 -0.61 -5.25 -1.25 -4.86 121.20 112.40 1i4v s ILE 66 Ca 0.00 0.43 0.08 0.00 -0.99 0.00 0.00 60.65 60.16 1i4v s ILE 66 Cb 0.00 -4.58 0.28 0.00 2.95 0.00 0.00 42.46 41.11 1i4v s ILE 66 CO 0.00 -1.47 0.68 -0.24 -1.79 0.00 0.00 174.94 172.12 1i4v n SER 67 N 10.21 1.96 -4.07 4.36 2.88 -1.26 -3.23 113.62 124.46 1i4v n SER 67 Ca 0.09 -3.11 -0.44 0.00 -1.33 0.00 0.00 58.87 54.09 1i4v n SER 67 Cb 0.50 -0.64 0.01 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.84 -3.69 0.00 -3.46 2.03 -1.18 -4.72 116.55 106.37 1i4v n ASP 68 Ca 0.26 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1i4v n ASP 68 Cb 0.50 -1.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.08 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 -2.11 0.00 3.59 0.27 0.00 -1.06 -4.95 105.19 100.93 1i4v n GLY 69 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.15 -0.17 1.61 1.47 -1.26 -4.57 116.67 113.59 1i4v s ASP 70 Ca 0.00 -0.04 -0.00 0.00 1.18 0.00 0.00 52.55 53.69 1i4v s ASP 70 Cb 0.00 0.19 0.00 0.00 -0.34 0.00 0.00 42.92 42.78 1i4v s ASP 70 CO 0.00 -0.32 -0.15 -0.22 0.68 0.00 0.00 175.17 175.16 1i4v s LEU 71 N -2.39 2.44 0.23 2.11 1.98 -1.09 -2.14 118.68 119.82 1i4v s LEU 71 Ca 0.10 -0.51 -0.12 0.00 -2.89 0.00 0.00 54.13 50.71 1i4v s LEU 71 Cb 0.00 -1.57 -0.07 0.00 0.66 0.00 0.00 46.19 45.21 1i4v s LEU 71 CO -0.05 0.04 0.59 -0.22 -1.89 0.00 0.00 176.35 174.82 1i4v s LEU 72 N 1.08 4.19 -0.30 -0.68 0.20 -0.93 -0.74 118.68 121.50 1i4v s LEU 72 Ca -0.00 1.03 -0.03 0.00 0.69 0.00 0.00 54.13 55.81 1i4v s LEU 72 Cb -0.14 -3.67 0.11 0.00 -0.43 0.00 0.00 46.19 42.05 1i4v s LEU 72 CO -0.04 -0.06 0.14 -0.63 -0.29 0.00 0.00 176.35 175.47 1i4v s ILE 73 N -1.77 -0.07 0.02 6.68 -1.09 -0.29 -2.67 121.20 122.01 1i4v s ILE 73 Ca 0.46 -0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 58.02 1i4v s ILE 73 Cb -0.12 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.73 1i4v s ILE 73 CO 0.20 -0.74 0.23 0.54 -1.23 0.00 0.00 174.94 173.94 1i4v s VAL 74 N 2.02 5.37 -0.55 2.92 0.11 0.36 0.87 120.40 131.50 1i4v s VAL 74 Ca 0.10 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.96 1i4v s VAL 74 Cb -0.17 -3.56 0.14 0.00 -1.53 0.00 0.00 36.38 31.26 1i4v s VAL 74 CO -0.33 0.29 0.46 -1.81 -3.33 0.00 0.00 175.10 170.38 1i4v s ASP 75 N -1.96 6.01 -0.69 3.54 1.11 -1.07 0.12 116.67 123.72 1i4v s ASP 75 Ca 0.29 -2.00 -0.26 0.00 0.18 0.00 0.00 52.55 50.76 1i4v s ASP 75 Cb -0.13 -2.11 0.04 0.00 1.07 0.00 0.00 42.92 41.79 1i4v s ASP 75 CO 0.19 -0.73 1.18 -0.94 1.18 0.00 0.00 175.17 176.05 1i4v s SER 76 N 2.90 6.21 0.10 0.27 1.04 -0.72 -1.18 113.70 122.32 1i4v s SER 76 Ca 0.07 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1i4v s SER 76 Cb -0.26 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1i4v s SER 76 CO -0.00 -1.67 0.00 0.00 0.98 0.00 0.00 173.24 172.55 1i4v n ALA 77 N 8.77 0.00 -2.27 5.32 0.00 -1.24 -4.03 120.51 127.06 1i4v n ALA 77 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.21 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 -1.95 4.10 -0.26 0.00 1.09 -1.26 -5.00 121.20 117.92 1i4v s ILE 78 Ca 0.00 -0.27 -0.16 0.00 -1.10 0.00 0.00 60.65 59.12 1i4v s ILE 78 Cb 0.00 -3.55 -0.03 0.00 -1.06 0.00 0.00 42.46 37.82 1i4v s ILE 78 CO 0.00 -0.45 0.43 -0.89 -0.10 0.00 0.00 174.94 173.93 1i4v s THR 79 N -2.68 5.13 0.00 2.92 2.01 -1.26 -3.48 115.64 118.28 1i4v s THR 79 Ca 0.49 0.70 0.00 0.00 0.31 0.00 0.00 61.69 63.19 1i4v s THR 79 Cb -0.10 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1i4v s THR 79 CO 0.41 0.13 0.00 0.00 -0.69 0.00 0.00 174.62 174.47 1i4v n ALA 80 N 5.38 0.00 -3.12 7.40 0.00 -1.11 -4.93 120.51 124.13 1i4v n ALA 80 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1i4v n ALA 80 Cb 0.50 0.00 -0.10 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 -1.62 -0.01 0.43 0.00 0.01 -1.26 -5.04 113.70 106.20 1i4v s SER 81 Ca 0.00 -0.15 -0.24 0.00 1.31 0.00 0.00 55.95 56.87 1i4v s SER 81 Cb 0.00 0.23 -0.10 0.00 0.21 0.00 0.00 66.02 66.36 1i4v s SER 81 CO 0.00 -0.36 1.12 1.41 0.41 0.00 0.00 173.24 175.82 1i4v n HIS 82 N 1.52 1.59 -1.36 2.43 8.25 -1.26 -3.08 115.22 123.30 1i4v n HIS 82 Ca -0.22 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1i4v n HIS 82 Cb 0.56 -2.29 0.00 0.00 1.12 0.00 0.00 29.99 29.38 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 1.02 0.94 3.01 -1.41 0.00 -1.20 -5.04 105.19 102.51 1i4v n GLY 83 Ca 0.08 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.66 0.64 -1.14 1.61 1.11 -1.18 -5.01 116.67 110.04 1i4v s ASP 84 Ca 0.00 -0.39 -0.13 0.00 0.18 0.00 0.00 52.55 52.21 1i4v s ASP 84 Cb 0.00 0.02 -0.07 0.00 1.07 0.00 0.00 42.92 43.94 1i4v s ASP 84 CO 0.00 -0.14 2.26 0.00 1.18 0.00 0.00 175.17 178.47 1i4v n ILE 85 N 1.97 2.88 -3.28 0.77 0.00 -1.26 -3.75 119.36 116.68 1i4v n ILE 85 Ca -0.20 -2.06 -0.19 0.00 0.00 0.00 0.00 62.75 60.30 1i4v n ILE 85 Cb 0.56 -2.39 -0.00 0.00 0.00 0.00 0.00 39.64 37.81 1i4v n ILE 85 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1i4v s VAL 86 N 3.55 2.69 -0.05 9.51 -7.23 -1.24 -4.48 120.40 123.15 1i4v s VAL 86 Ca 0.52 -1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 59.33 1i4v s VAL 86 Cb 0.14 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1i4v s VAL 86 CO -0.01 0.00 0.57 -0.51 -0.31 0.00 0.00 175.10 174.84 1i4v s ILE 87 N -2.46 5.01 0.28 -0.62 1.10 -1.26 -3.13 121.20 120.13 1i4v s ILE 87 Ca 0.52 1.18 -0.10 0.00 -0.51 0.00 0.00 60.65 61.75 1i4v s ILE 87 Cb -0.06 -3.91 -0.07 0.00 0.15 0.00 0.00 42.46 38.57 1i4v s ILE 87 CO 0.31 0.37 0.61 0.00 -2.11 0.00 0.00 174.94 174.12 1i4v s ALA 88 N 0.17 3.50 -0.07 1.50 0.00 -1.10 -2.05 121.76 123.71 1i4v s ALA 88 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 1i4v s ALA 88 Cb -0.17 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.47 1i4v s ALA 88 CO 0.15 0.35 -0.01 0.00 0.00 0.00 0.00 175.76 176.25 1i4v s ALA 89 N -1.98 0.74 -0.19 0.00 0.00 0.10 -2.76 121.76 117.66 1i4v s ALA 89 Ca 0.48 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.22 1i4v s ALA 89 Cb -0.11 -0.69 0.08 0.00 0.00 0.00 0.00 23.12 22.41 1i4v s ALA 89 CO 0.24 -0.36 0.42 0.54 0.00 0.00 0.00 175.76 176.60 1i4v s VAL 90 N 1.72 -0.48 -1.50 0.00 0.11 -1.24 -2.87 120.40 116.13 1i4v s VAL 90 Ca 0.01 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1i4v s VAL 90 Cb -0.13 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1i4v s VAL 90 CO -0.04 0.06 0.00 0.47 -3.33 0.00 0.00 175.10 172.26 1i4v n ASP 91 N 5.08 -4.65 -0.11 3.54 8.00 -1.26 -1.21 116.55 125.94 1i4v n ASP 91 Ca -0.12 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1i4v n ASP 91 Cb 0.51 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 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 -0.71 1.01 3.87 0.44 0.00 -1.26 -5.08 105.19 103.46 1i4v n GLY 92 Ca -0.18 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.87 3.05 -0.30 1.61 0.41 -0.35 -5.10 118.70 115.14 1i4v s GLU 93 Ca 0.00 -1.00 -0.01 0.00 -0.41 0.00 0.00 54.97 53.55 1i4v s GLU 93 Cb 0.00 -2.65 0.13 0.00 -1.78 0.00 0.00 34.13 29.83 1i4v s GLU 93 CO 0.00 0.37 0.26 -0.06 -0.49 0.00 0.00 175.26 175.34 1i4v s PHE 94 N -2.11 -0.17 0.54 1.61 0.08 -1.24 -3.72 117.98 112.96 1i4v s PHE 94 Ca 0.34 -0.52 0.05 0.00 0.12 0.00 0.00 56.93 56.92 1i4v s PHE 94 Cb -0.08 -0.59 0.03 0.00 -0.57 0.00 0.00 43.02 41.81 1i4v s PHE 94 CO 0.26 -0.90 0.36 0.95 -0.10 0.00 0.00 175.22 175.79 1i4v s THR 95 N 2.10 1.60 -0.28 0.64 -4.23 -1.11 -4.90 115.64 109.46 1i4v s THR 95 Ca 0.11 -1.55 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1i4v s THR 95 Cb -0.15 -2.15 0.09 0.00 1.34 0.00 0.00 72.50 71.63 1i4v s THR 95 CO -0.28 0.00 0.10 -0.69 -0.54 0.00 0.00 174.62 173.21 1i4v s VAL 96 N -2.78 0.40 0.00 2.29 1.01 -1.26 -2.72 120.40 117.33 1i4v s VAL 96 Ca 0.31 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1i4v s VAL 96 Cb -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1i4v s VAL 96 CO 0.19 -0.60 0.00 1.17 0.00 0.00 0.00 175.10 175.86 1i4v n LYS 97 N 5.06 -0.28 -2.41 2.72 3.00 -1.18 -4.48 118.16 120.59 1i4v n LYS 97 Ca -0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.89 1i4v n LYS 97 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.43 1i4v n LYS 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1i4v s LYS 98 N -2.00 3.30 0.33 1.64 -2.85 -1.25 -3.68 119.74 115.24 1i4v s LYS 98 Ca 0.00 -0.93 -0.27 0.00 -1.00 0.00 0.00 55.97 53.77 1i4v s LYS 98 Cb 0.00 -5.28 -0.09 0.00 -2.06 0.00 0.00 37.83 30.39 1i4v s LYS 98 CO 0.00 -2.57 1.05 -0.48 0.10 0.00 0.00 175.35 173.44 1i4v s LEU 99 N 6.49 4.36 -0.07 2.77 2.34 -1.26 -4.67 118.68 128.65 1i4v s LEU 99 Ca 0.54 2.10 0.03 0.00 0.06 0.00 0.00 54.13 56.85 1i4v s LEU 99 Cb -0.02 -3.90 0.01 0.00 -0.56 0.00 0.00 46.19 41.72 1i4v s LEU 99 CO -0.06 -0.26 -0.14 -1.58 -1.06 0.00 0.00 176.35 173.25 1i4v s GLN 100 N -1.93 1.87 0.00 1.48 0.74 -1.13 -3.23 119.66 117.46 1i4v s GLN 100 Ca 0.50 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.43 1i4v s GLN 100 Cb -0.26 -1.52 0.00 0.00 1.10 0.00 0.00 33.01 32.33 1i4v s GLN 100 CO 0.33 0.06 0.04 1.28 -0.55 0.00 0.00 175.29 176.45 1i4v n LEU 101 N 3.73 0.09 0.04 3.68 4.77 -1.21 -1.92 117.00 126.18 1i4v n LEU 101 Ca -0.22 -0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 55.42 1i4v n LEU 101 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1i4v n LEU 101 CO 0.26 0.02 0.13 0.03 -1.33 0.00 0.00 177.39 176.50 1i4v h ARG 102 N 0.00 -0.20 0.42 3.23 -0.00 -1.99 -3.37 114.38 112.47 1i4v h ARG 102 Ca 0.00 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.47 1i4v h ARG 102 Cb 0.05 0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.07 1i4v h ARG 102 CO 0.00 -0.05 -0.20 -1.00 0.00 0.00 0.00 179.97 178.72 1i4v h PRO 103 N -1.04 -0.55 -3.08 0.04 0.13 -2.02 -3.46 132.00 122.02 1i4v h PRO 103 Ca -0.02 0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.05 1i4v h PRO 103 Cb 0.25 0.12 -0.18 0.00 0.13 0.00 0.00 31.00 31.33 1i4v h PRO 103 CO 0.04 -0.28 -0.19 0.99 -0.23 0.00 0.00 178.00 178.33 1i4v s THR 104 N -5.40 0.06 -0.69 1.56 2.01 -1.26 -5.10 115.64 106.83 1i4v s THR 104 Ca -0.15 -0.52 -0.24 0.00 0.31 0.00 0.00 61.69 61.08 1i4v s THR 104 Cb 0.03 -0.86 0.05 0.00 0.01 0.00 0.00 72.50 71.73 1i4v s THR 104 CO 0.58 -0.29 1.08 -0.69 -0.69 0.00 0.00 174.62 174.62 1i4v s VAL 105 N -2.14 4.10 0.01 3.82 1.01 -1.26 -3.34 120.40 122.60 1i4v s VAL 105 Ca -0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1i4v s VAL 105 Cb -0.02 -4.77 0.01 0.00 0.00 0.00 0.00 36.38 31.61 1i4v s VAL 105 CO -0.00 -1.60 0.24 -1.10 0.00 0.00 0.00 175.10 172.64 1i4v s GLN 106 N 4.68 0.64 0.02 2.72 -0.21 -0.81 -2.72 119.66 123.99 1i4v s GLN 106 Ca 0.27 -0.38 -0.08 0.00 0.02 0.00 0.00 55.36 55.19 1i4v s GLN 106 Cb -0.13 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.15 1i4v s GLN 106 CO 0.12 -0.18 0.16 -1.17 -2.12 0.00 0.00 175.29 172.11 1i4v s LEU 107 N -1.59 1.49 -0.44 2.90 2.96 -1.08 -2.82 118.68 120.09 1i4v s LEU 107 Ca -0.11 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.56 1i4v s LEU 107 Cb -0.04 0.80 0.20 0.00 0.50 0.00 0.00 46.19 47.65 1i4v s LEU 107 CO 0.01 -0.46 0.54 0.00 -1.32 0.00 0.00 176.35 175.11 1i4v n ILE 108 N 1.05 -0.68 0.00 6.68 0.13 -1.26 -2.63 119.36 122.65 1i4v n ILE 108 Ca -0.21 -2.77 0.00 0.00 -1.10 0.00 0.00 62.75 58.67 1i4v n ILE 108 Cb 0.57 -0.73 0.00 0.00 -0.84 0.00 0.00 39.64 38.64 1i4v n ILE 108 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 1i4v n PRO 109 N 2.38 2.10 -0.56 9.51 -0.05 -1.26 -4.82 135.00 142.30 1i4v n PRO 109 Ca 0.23 0.00 0.05 0.00 -0.05 0.00 0.00 63.50 63.72 1i4v n PRO 109 Cb 0.53 0.00 -0.03 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 -1.35 0.00 0.54 2.81 -1.22 -4.54 117.12 113.35 1i4v n MET 110 Ca 0.00 1.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.98 1i4v n MET 110 Cb 0.00 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 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 -2.61 0.00 0.02 7.83 2.85 -1.25 -4.46 115.26 117.65 1i4v n ASN 111 Ca -0.03 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.38 1i4v n ASN 111 Cb 0.24 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.14 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 0.00 -0.42 1.20 4.64 -1.94 -3.37 113.55 113.65 1i4v h SER 112 Ca 0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1i4v h SER 112 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1i4v h SER 112 CO 0.00 0.91 3.20 0.00 -0.87 0.00 0.00 176.83 180.07 1i4v n ALA 113 N -2.45 6.81 -1.79 5.18 0.00 -1.26 -4.96 120.51 122.05 1i4v n ALA 113 Ca -0.09 -3.81 -0.41 0.00 0.00 0.00 0.00 53.44 49.13 1i4v n ALA 113 Cb 0.97 -3.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.18 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 1.35 2.82 -0.39 0.00 -0.85 -1.26 -4.78 117.35 114.24 1i4v s TYR 114 Ca 0.59 0.86 0.04 0.00 -0.52 0.00 0.00 57.07 58.05 1i4v s TYR 114 Cb 0.17 -4.00 0.16 0.00 0.38 0.00 0.00 41.96 38.67 1i4v s TYR 114 CO -0.07 -3.32 0.44 -1.12 -1.52 0.00 0.00 175.55 169.97 1i4v s SER 115 N 0.43 0.50 0.16 -0.18 0.01 -1.26 -5.12 113.70 108.24 1i4v s SER 115 Ca 0.62 -1.51 -0.32 0.00 1.31 0.00 0.00 55.95 56.04 1i4v s SER 115 Cb -0.46 0.86 -0.12 0.00 0.21 0.00 0.00 66.02 66.51 1i4v s SER 115 CO 0.47 -0.22 1.74 -2.65 0.41 0.00 0.00 173.24 172.99 1i4v n PRO 116 N 4.13 2.65 -4.59 12.44 -0.01 -1.26 -4.76 135.00 143.60 1i4v n PRO 116 Ca 0.12 0.96 -0.22 0.00 -0.01 0.00 0.00 63.50 64.35 1i4v n PRO 116 Cb 0.48 -2.81 -0.15 0.00 -0.01 0.00 0.00 33.50 31.02 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 1.75 1.20 0.28 4.25 2.07 -1.08 -5.05 121.20 124.62 1i4v s ILE 117 Ca 0.79 -0.79 0.08 0.00 -1.41 0.00 0.00 60.65 59.32 1i4v s ILE 117 Cb -0.54 -1.03 -0.04 0.00 0.13 0.00 0.00 42.46 40.99 1i4v s ILE 117 CO 0.36 0.23 0.13 0.28 -1.91 0.00 0.00 174.94 174.02 1i4v s THR 118 N -0.53 3.80 0.38 4.00 -1.32 -1.26 -2.64 115.64 118.06 1i4v s THR 118 Ca 0.05 -1.62 0.06 0.00 -1.21 0.00 0.00 61.69 58.97 1i4v s THR 118 Cb -0.07 -3.13 -0.07 0.00 -1.51 0.00 0.00 72.50 67.72 1i4v s THR 118 CO 0.00 -0.32 0.01 -0.63 -2.21 0.00 0.00 174.62 171.48 1i4v s ILE 119 N -2.26 1.78 0.42 5.08 1.09 -1.10 -5.00 121.20 121.21 1i4v s ILE 119 Ca 0.34 -2.02 -0.06 0.00 -1.10 0.00 0.00 60.65 57.80 1i4v s ILE 119 Cb -0.06 -2.89 0.10 0.00 -1.06 0.00 0.00 42.46 38.54 1i4v s ILE 119 CO 0.23 -0.03 0.23 -1.20 -0.10 0.00 0.00 174.94 174.07 1i4v n SER 120 N -0.86 -2.29 -4.33 3.58 7.64 -1.26 -4.66 113.62 111.43 1i4v n SER 120 Ca -0.04 -0.23 -0.34 0.00 1.01 0.00 0.00 58.87 59.27 1i4v n SER 120 Cb 0.66 -0.30 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 1i4v n SER 120 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1i4v n SER 121 N -2.89 3.16 -3.57 6.43 3.41 -1.26 -4.20 113.62 114.69 1i4v n SER 121 Ca 0.04 -2.72 -0.27 0.00 -0.26 0.00 0.00 58.87 55.65 1i4v n SER 121 Cb 0.16 -1.59 0.05 0.00 -0.26 0.00 0.00 64.21 62.57 1i4v n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i4v n GLU 122 N 7.94 -1.49 0.00 4.33 1.02 -1.26 -4.96 120.64 126.22 1i4v n GLU 122 Ca 0.47 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 1i4v n GLU 122 Cb 0.45 -4.57 0.00 0.00 -0.02 0.00 0.00 31.44 27.30 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 -2.82 0.00 -3.18 1.62 9.92 -1.26 -4.89 116.55 115.94 1i4v n ASP 123 Ca -0.09 0.19 -0.18 0.00 -0.53 0.00 0.00 54.79 54.19 1i4v n ASP 123 Cb 0.60 -0.20 -0.06 0.00 -0.64 0.00 0.00 41.12 40.82 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 -0.40 -0.22 -0.22 -3.53 2.01 -1.26 -5.09 115.64 106.93 1i4v s THR 124 Ca 0.00 -1.82 -0.01 0.00 0.31 0.00 0.00 61.69 60.17 1i4v s THR 124 Cb 0.00 -0.74 0.06 0.00 0.01 0.00 0.00 72.50 71.83 1i4v s THR 124 CO 0.00 -0.72 0.01 -0.76 -0.69 0.00 0.00 174.62 172.46 1i4v s LEU 125 N 0.57 1.80 0.06 4.42 2.01 -1.26 -4.61 118.68 121.66 1i4v s LEU 125 Ca 0.29 -1.03 -0.10 0.00 0.01 0.00 0.00 54.13 53.31 1i4v s LEU 125 Cb -0.01 -0.84 0.00 0.00 0.01 0.00 0.00 46.19 45.36 1i4v s LEU 125 CO -0.12 -0.29 0.20 -0.62 1.01 0.00 0.00 176.35 176.53 1i4v s ASP 126 N 1.66 0.05 0.54 2.29 2.15 -1.14 -4.98 116.67 117.24 1i4v s ASP 126 Ca -0.02 -0.46 -0.19 0.00 0.43 0.00 0.00 52.55 52.30 1i4v s ASP 126 Cb -0.18 0.32 -0.06 0.00 -0.30 0.00 0.00 42.92 42.70 1i4v s ASP 126 CO -0.09 -0.63 1.11 -0.69 -0.17 0.00 0.00 175.17 174.70 1i4v s VAL 127 N -3.08 3.30 -0.07 1.11 1.01 -1.26 -0.73 120.40 120.68 1i4v s VAL 127 Ca -0.01 0.80 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 1i4v s VAL 127 Cb 0.01 -3.32 -0.30 0.00 0.00 0.00 0.00 36.38 32.78 1i4v s VAL 127 CO -0.07 -0.18 0.70 0.15 0.00 0.00 0.00 175.10 175.70 1i4v h PHE 128 N 1.22 0.58 -0.26 5.22 3.57 -1.69 -3.45 116.94 122.13 1i4v h PHE 128 Ca -0.50 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 60.58 1i4v h PHE 128 Cb 1.25 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1i4v h PHE 128 CO 0.53 1.52 0.00 0.41 -2.23 0.00 0.00 178.31 178.54 1i4v n GLY 129 N 1.74 5.05 0.05 2.40 0.00 -1.26 -3.73 105.19 109.45 1i4v n GLY 129 Ca -0.22 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.66 1.61 3.14 -0.32 -2.76 118.33 116.34 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 0.74 -0.01 0.00 -1.06 0.00 0.00 33.84 33.52 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 -0.41 1.55 0.11 -1.26 -4.76 120.40 115.63 1i4v s VAL 131 Ca 0.00 -0.35 0.04 0.00 -2.93 0.00 0.00 61.98 58.74 1i4v s VAL 131 Cb 0.00 -1.96 0.17 0.00 -1.53 0.00 0.00 36.38 33.06 1i4v s VAL 131 CO 0.00 0.00 0.41 -0.63 -3.33 0.00 0.00 175.10 171.55 1i4v s ILE 132 N -2.69 -0.13 -0.33 7.04 1.09 -1.25 -2.61 121.20 122.32 1i4v s ILE 132 Ca 0.13 -1.76 -0.28 0.00 -1.10 0.00 0.00 60.65 57.64 1i4v s ILE 132 Cb 0.03 -0.83 -0.01 0.00 -1.06 0.00 0.00 42.46 40.58 1i4v s ILE 132 CO -0.02 -0.80 1.75 -1.00 -0.10 0.00 0.00 174.94 174.77 1i4v s HIS 133 N 0.72 1.88 -0.15 3.97 3.76 0.25 -4.71 115.29 121.01 1i4v s HIS 133 Ca 0.26 0.62 -0.24 0.00 -0.15 0.00 0.00 55.06 55.55 1i4v s HIS 133 Cb -0.06 -4.15 -0.02 0.00 1.11 0.00 0.00 32.58 29.46 1i4v s HIS 133 CO -0.10 -2.85 0.75 0.08 -0.85 0.00 0.00 174.74 171.77 1i4v s VAL 134 N 6.66 4.96 -0.53 -0.90 1.01 -1.26 -1.14 120.40 129.19 1i4v s VAL 134 Ca 0.78 1.47 -0.16 0.00 0.00 0.00 0.00 61.98 64.06 1i4v s VAL 134 Cb -0.22 -4.06 0.12 0.00 0.00 0.00 0.00 36.38 32.23 1i4v s VAL 134 CO 0.34 0.10 0.49 -0.69 0.00 0.00 0.00 175.10 175.34 1i4v s VAL 135 N 1.78 5.21 -0.59 2.92 1.01 0.08 -4.98 120.40 125.83 1i4v s VAL 135 Ca 0.35 -1.46 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 1i4v s VAL 135 Cb -0.17 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 31.94 1i4v s VAL 135 CO 0.13 -0.84 0.99 -0.54 0.00 0.00 0.00 175.10 174.83 1i4v s LYS 136 N 1.60 3.29 -0.13 2.72 1.02 -1.26 -2.67 119.74 124.31 1i4v s LYS 136 Ca 0.03 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 1i4v s LYS 136 Cb -0.29 -4.09 -0.06 0.00 -0.52 0.00 0.00 37.83 32.86 1i4v s LYS 136 CO 0.03 -1.61 2.02 0.00 -0.92 0.00 0.00 175.35 174.87 1i4v s ALA 137 N 4.17 3.14 -0.37 5.17 0.00 -1.26 -4.94 121.76 127.66 1i4v s ALA 137 Ca 0.30 0.93 -0.02 0.00 0.00 0.00 0.00 51.96 53.16 1i4v s ALA 137 Cb -0.13 -3.95 0.09 0.00 0.00 0.00 0.00 23.12 19.13 1i4v s ALA 137 CO 0.17 -2.20 0.12 1.41 0.00 0.00 0.00 175.76 175.27 1i4v s MET 138 N 5.37 2.14 0.00 0.00 1.75 -1.26 -5.09 119.30 122.20 1i4v s MET 138 Ca 0.91 -1.61 0.12 0.00 -1.25 0.00 0.00 55.69 53.86 1i4v s MET 138 Cb -0.35 -3.43 0.09 0.00 2.84 0.00 0.00 34.83 33.99 1i4v s MET 138 CO 0.37 -0.90 0.88 2.89 -0.65 0.00 0.00 175.02 177.61