#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 -2.08 -0.56 0.00 7.35 -1.26 -5.16 117.46 115.76 1i4v n PHE 26 Ca 0.00 -1.00 -0.28 0.00 -0.76 0.00 0.00 57.45 55.41 1i4v n PHE 26 Cb 0.00 1.27 0.26 0.00 0.35 0.00 0.00 39.48 41.36 1i4v n PHE 26 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1i4v s PRO 27 N 0.87 -1.02 -0.45 -7.13 0.04 -1.26 -5.02 135.00 121.03 1i4v s PRO 27 Ca 0.27 0.79 0.06 0.00 0.04 0.00 0.00 61.00 62.16 1i4v s PRO 27 Cb 0.09 -1.55 0.21 0.00 0.04 0.00 0.00 34.50 33.30 1i4v s PRO 27 CO -0.09 -3.78 0.61 0.45 0.04 0.00 0.00 177.00 174.23 1i4v n SER 28 N -4.95 -1.53 0.26 6.66 2.88 -1.26 -4.97 113.62 110.72 1i4v n SER 28 Ca 0.03 -2.81 0.09 0.00 -1.33 0.00 0.00 58.87 54.85 1i4v n SER 28 Cb 0.54 0.50 0.67 0.00 -0.75 0.00 0.00 64.21 65.17 1i4v n SER 28 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1i4v h PRO 29 N 4.63 0.00 -3.09 -1.46 0.10 -2.09 -3.28 132.00 126.80 1i4v h PRO 29 Ca 0.07 0.00 -0.62 0.00 0.10 0.00 0.00 66.00 65.54 1i4v h PRO 29 Cb 0.97 0.00 -0.42 0.00 0.10 0.00 0.00 31.00 31.66 1i4v h PRO 29 CO 0.31 0.02 -0.59 0.00 0.10 0.00 0.00 178.00 177.84 1i4v s ALA 30 N -4.94 3.69 -0.39 -0.75 0.00 -1.26 -5.05 121.76 113.07 1i4v s ALA 30 Ca -0.05 -3.74 -0.10 0.00 0.00 0.00 0.00 51.96 48.07 1i4v s ALA 30 Cb 0.16 -2.15 0.05 0.00 0.00 0.00 0.00 23.12 21.18 1i4v s ALA 30 CO 0.65 -2.09 0.22 0.00 0.00 0.00 0.00 175.76 174.55 1i4v s ALA 31 N -1.29 3.27 0.19 0.00 0.00 -1.24 -4.87 121.76 117.82 1i4v s ALA 31 Ca 0.24 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1i4v s ALA 31 Cb -0.06 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1i4v s ALA 31 CO -0.15 -1.50 0.00 -3.47 0.00 0.00 0.00 175.76 170.64 1i4v n ASP 32 N 4.96 0.13 -2.89 0.00 -0.08 -1.26 -5.11 116.55 112.30 1i4v n ASP 32 Ca -0.11 0.32 -0.01 0.00 -1.51 0.00 0.00 54.79 53.48 1i4v n ASP 32 Cb 0.45 0.17 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1i4v n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i4v n TYR 33 N -3.28 -2.66 -3.00 -0.67 4.19 -1.26 -4.94 117.16 105.55 1i4v n TYR 33 Ca 0.00 1.17 -0.27 0.00 3.31 0.00 0.00 57.90 62.11 1i4v n TYR 33 Cb 0.00 -2.99 -0.04 0.00 0.49 0.00 0.00 39.34 36.79 1i4v n TYR 33 CO 0.00 0.00 0.00 1.33 0.91 0.00 0.00 176.86 179.10 1i4v n VAL 34 N 0.87 2.96 -3.56 2.97 0.24 -1.26 -4.95 118.33 115.60 1i4v n VAL 34 Ca 0.00 -5.53 -0.36 0.00 -2.04 0.00 0.00 64.34 56.41 1i4v n VAL 34 Cb 0.19 -1.46 -0.06 0.00 -1.47 0.00 0.00 33.84 31.03 1i4v n VAL 34 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1i4v n GLU 35 N -0.12 2.79 -0.09 7.34 -0.58 -1.26 -4.82 120.64 123.91 1i4v n GLU 35 Ca 0.31 -4.51 -0.17 0.00 -0.42 0.00 0.00 57.16 52.37 1i4v n GLU 35 Cb 0.40 -2.41 -0.06 0.00 -0.57 0.00 0.00 31.44 28.81 1i4v n GLU 35 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1i4v n GLN 36 N 2.06 0.43 -3.64 3.49 -0.06 -1.26 -5.09 117.38 113.31 1i4v n GLN 36 Ca 0.23 0.18 -0.05 0.00 -2.00 0.00 0.00 57.00 55.36 1i4v n GLN 36 Cb 0.37 -1.23 -0.06 0.00 -4.06 0.00 0.00 30.24 25.25 1i4v n GLN 36 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1i4v s ARG 37 N -2.50 0.23 -0.40 3.69 0.52 -1.26 -5.10 118.95 114.13 1i4v s ARG 37 Ca -0.27 0.20 0.05 0.00 -0.52 0.00 0.00 55.73 55.20 1i4v s ARG 37 Cb 0.08 0.11 0.32 0.00 0.52 0.00 0.00 34.95 35.99 1i4v s ARG 37 CO 0.35 -0.04 1.24 1.51 0.02 0.00 0.00 175.30 178.38 1i4v n ILE 38 N 1.47 0.00 -2.64 1.52 0.13 -1.26 -5.05 119.36 113.52 1i4v n ILE 38 Ca -0.09 -1.14 -0.43 0.00 -1.10 0.00 0.00 62.75 59.99 1i4v n ILE 38 Cb 0.57 1.32 0.00 0.00 -0.84 0.00 0.00 39.64 40.69 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 0.44 5.22 -0.28 9.51 2.03 -1.26 -4.83 116.55 127.38 1i4v n ASP 39 Ca 0.01 -3.07 0.10 0.00 0.52 0.00 0.00 54.79 52.35 1i4v n ASP 39 Cb 0.72 -1.50 0.25 0.00 -0.72 0.00 0.00 41.12 39.87 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 8.46 0.17 -0.60 -2.67 3.38 -1.97 1.24 115.31 123.33 1i4v h LEU 40 Ca 0.35 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.56 1i4v h LEU 40 Cb 0.73 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1i4v h LEU 40 CO 1.44 -0.02 0.24 -0.55 0.09 0.00 0.00 178.44 179.63 1i4v h ASN 41 N 0.33 0.25 0.53 -0.43 7.08 -1.87 0.21 115.58 121.68 1i4v h ASN 41 Ca 0.50 0.07 0.00 0.00 -3.08 0.00 0.00 56.30 53.78 1i4v h ASN 41 Cb 0.90 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 37.18 1i4v h ASN 41 CO -0.53 0.16 -0.35 1.67 -2.08 0.00 0.00 177.43 176.29 1i4v n GLN 42 N -4.97 0.18 0.00 4.14 -0.06 0.24 -2.68 117.38 114.23 1i4v n GLN 42 Ca 0.08 -0.09 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1i4v n GLN 42 Cb 0.25 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 1i4v n GLN 42 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1i4v n LEU 43 N -1.33 0.04 0.04 1.69 0.00 0.40 -4.34 117.00 113.50 1i4v n LEU 43 Ca 0.07 0.66 -0.08 0.00 0.00 0.00 0.00 56.01 56.66 1i4v n LEU 43 Cb 0.33 -0.49 -0.13 0.00 0.00 0.00 0.00 43.42 43.13 1i4v n LEU 43 CO 0.31 -0.49 -0.05 -0.07 0.00 0.00 0.00 177.39 177.10 1i4v h LEU 44 N 0.00 0.04 0.00 -1.96 -0.00 -1.66 -3.47 115.31 108.27 1i4v h LEU 44 Ca 0.00 -0.06 -0.65 0.00 -0.00 0.00 0.00 57.88 57.17 1i4v h LEU 44 Cb 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 40.66 40.52 1i4v h LEU 44 CO 0.00 1.05 -0.49 -0.38 -0.00 0.00 0.00 178.44 178.61 1i4v n ILE 45 N -3.30 0.00 -2.04 1.22 5.41 -1.09 -5.08 119.36 114.48 1i4v n ILE 45 Ca -0.05 -2.48 -0.02 0.00 1.00 0.00 0.00 62.75 61.20 1i4v n ILE 45 Cb 0.98 0.63 -0.02 0.00 -0.71 0.00 0.00 39.64 40.52 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 -1.19 0.00 -4.31 0.38 6.02 -1.22 -3.31 117.38 113.76 1i4v n GLN 46 Ca -0.17 -0.58 -0.31 0.00 -0.01 0.00 0.00 57.00 55.93 1i4v n GLN 46 Cb 0.66 0.06 -0.09 0.00 1.02 0.00 0.00 30.24 31.88 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 2.91 0.39 1.08 3.76 -1.26 -5.00 115.29 117.16 1i4v s HIS 47 Ca 0.03 -0.04 0.07 0.00 -0.15 0.00 0.00 55.06 54.96 1i4v s HIS 47 Cb 0.03 -1.56 0.78 0.00 1.11 0.00 0.00 32.58 32.93 1i4v s HIS 47 CO -0.01 0.42 1.99 -1.35 -0.85 0.00 0.00 174.74 174.94 1i4v h PRO 48 N 4.05 0.50 0.00 8.40 0.11 -1.99 -3.39 132.00 139.67 1i4v h PRO 48 Ca -0.48 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1i4v h PRO 48 Cb 1.17 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 32.08 1i4v h PRO 48 CO 0.55 0.42 0.13 -1.13 -0.21 0.00 0.00 178.00 177.76 1i4v n SER 49 N -4.40 -1.22 -1.61 -2.05 3.41 -1.26 -5.01 113.62 101.48 1i4v n SER 49 Ca 0.02 -1.74 -0.06 0.00 -0.26 0.00 0.00 58.87 56.82 1i4v n SER 49 Cb 0.14 1.02 0.09 0.00 -0.26 0.00 0.00 64.21 65.19 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 -0.45 3.79 -3.67 7.33 0.00 -1.26 -5.01 120.51 121.24 1i4v n ALA 50 Ca -0.24 -3.25 -0.18 0.00 0.00 0.00 0.00 53.44 49.77 1i4v n ALA 50 Cb 0.67 -0.48 -0.17 0.00 0.00 0.00 0.00 19.45 19.47 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 -3.36 -0.19 0.22 0.00 2.01 -1.26 -1.96 115.64 111.10 1i4v s THR 51 Ca 0.40 0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.86 1i4v s THR 51 Cb 0.38 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.62 1i4v s THR 51 CO -0.04 0.16 0.08 -0.31 -0.69 0.00 0.00 174.62 173.82 1i4v s TYR 52 N 2.22 2.94 0.12 4.92 2.02 0.54 -4.96 117.35 125.14 1i4v s TYR 52 Ca 0.04 -0.13 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1i4v s TYR 52 Cb -0.12 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 1i4v s TYR 52 CO -0.05 0.55 0.13 -0.59 -1.57 0.00 0.00 175.55 174.02 1i4v s PHE 53 N -2.01 0.53 -0.20 2.71 -0.71 -1.26 0.64 117.98 117.67 1i4v s PHE 53 Ca 0.31 -0.95 -0.20 0.00 -1.04 0.00 0.00 56.93 55.05 1i4v s PHE 53 Cb -0.08 -0.26 0.06 0.00 -1.21 0.00 0.00 43.02 41.52 1i4v s PHE 53 CO 0.22 -0.56 0.57 0.54 -1.34 0.00 0.00 175.22 174.65 1i4v s VAL 54 N -3.97 0.00 0.13 -2.49 0.11 -0.87 -4.95 120.40 108.37 1i4v s VAL 54 Ca 0.15 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.89 1i4v s VAL 54 Cb 0.06 -0.80 -0.07 0.00 -1.53 0.00 0.00 36.38 34.03 1i4v s VAL 54 CO -0.03 -0.01 1.24 -0.75 -3.33 0.00 0.00 175.10 172.22 1i4v s LYS 55 N 0.20 4.43 -0.39 1.54 2.36 -1.26 -2.41 119.74 124.22 1i4v s LYS 55 Ca -0.01 1.89 -0.23 0.00 -2.55 0.00 0.00 55.97 55.08 1i4v s LYS 55 Cb -0.04 -3.27 0.01 0.00 -1.05 0.00 0.00 37.83 33.48 1i4v s LYS 55 CO 0.01 -0.21 0.75 0.00 1.55 0.00 0.00 175.35 177.45 1i4v s ALA 56 N 0.51 3.39 -0.40 3.13 0.00 -1.09 -4.91 121.76 122.39 1i4v s ALA 56 Ca 0.57 -0.81 0.11 0.00 0.00 0.00 0.00 51.96 51.83 1i4v s ALA 56 Cb -0.33 -3.36 0.36 0.00 0.00 0.00 0.00 23.12 19.80 1i4v s ALA 56 CO 0.33 -1.59 0.79 0.45 0.00 0.00 0.00 175.76 175.75 1i4v n SER 57 N 6.43 1.58 0.00 0.00 2.88 -1.26 -2.70 113.62 120.55 1i4v n SER 57 Ca 0.02 -3.12 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 1i4v n SER 57 Cb 0.48 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.15 1.73 1.14 0.46 0.00 -1.26 -4.82 105.19 102.58 1i4v n GLY 58 Ca 0.25 0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.25 -0.06 1.61 5.75 -1.26 -1.91 116.55 120.42 1i4v n ASP 59 Ca 0.00 -0.81 -0.08 0.00 -0.01 0.00 0.00 54.79 53.89 1i4v n ASP 59 Cb 0.00 0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1i4v n ASP 59 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1i4v n SER 60 N -0.15 3.09 -2.24 -1.12 2.88 -1.26 -4.29 113.62 110.52 1i4v n SER 60 Ca -0.05 -0.06 -0.25 0.00 -1.33 0.00 0.00 58.87 57.18 1i4v n SER 60 Cb 0.45 -0.15 0.17 0.00 -0.75 0.00 0.00 64.21 63.94 1i4v n SER 60 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1i4v n MET 61 N -2.82 2.28 0.22 -1.46 2.81 -1.26 0.16 117.12 117.05 1i4v n MET 61 Ca -0.20 -3.03 0.17 0.00 -1.81 0.00 0.00 57.70 52.83 1i4v n MET 61 Cb 0.72 -2.19 0.85 0.00 -0.71 0.00 0.00 33.22 31.89 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 1.00 0.42 -0.76 2.02 2.04 -1.81 0.70 117.51 121.13 1i4v h ILE 62 Ca 0.64 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.72 1i4v h ILE 62 Cb 2.72 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 39.60 1i4v h ILE 62 CO 1.15 0.00 0.55 -2.24 0.00 0.00 0.00 178.15 177.61 1i4v h ASP 63 N 0.00 0.00 0.13 1.72 3.04 -1.80 -0.59 116.42 118.92 1i4v h ASP 63 Ca 0.08 0.00 -0.33 0.00 -3.24 0.00 0.00 57.03 53.54 1i4v h ASP 63 Cb 0.49 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.77 1i4v h ASP 63 CO -0.00 0.00 -1.73 1.23 -2.04 0.00 0.00 179.24 176.70 1i4v h GLY 64 N 0.00 0.31 0.00 7.15 0.00 -0.97 -3.44 103.07 106.13 1i4v h GLY 64 Ca 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1i4v h GLY 64 CO -0.00 0.70 0.00 0.61 0.00 0.00 0.00 176.54 177.85 1i4v n GLY 65 N 1.85 0.00 2.86 4.60 0.00 -0.23 -4.51 105.19 109.76 1i4v n GLY 65 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 1.58 -0.54 -0.61 -5.25 -1.24 -4.23 121.20 110.91 1i4v s ILE 66 Ca 0.00 -2.00 0.07 0.00 -0.99 0.00 0.00 60.65 57.73 1i4v s ILE 66 Cb 0.00 -2.17 0.28 0.00 2.95 0.00 0.00 42.46 43.52 1i4v s ILE 66 CO 0.00 -0.67 0.74 -0.24 -1.79 0.00 0.00 174.94 172.97 1i4v n SER 67 N 4.39 2.76 -2.54 4.36 2.88 -1.26 -3.66 113.62 120.54 1i4v n SER 67 Ca 0.02 -3.27 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 1i4v n SER 67 Cb 0.41 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1i4v n SER 67 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1i4v n ASP 68 N 0.68 -5.23 0.00 -3.46 5.75 -0.80 -4.67 116.55 108.82 1i4v n ASP 68 Ca 0.28 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 1i4v n ASP 68 Cb 0.46 -1.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.34 1i4v n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i4v n GLY 69 N 1.31 0.77 3.62 6.12 0.00 -1.10 -4.93 105.19 110.98 1i4v n GLY 69 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.32 -0.08 -0.18 1.61 1.47 -1.26 -4.86 116.67 113.06 1i4v s ASP 70 Ca 0.00 -0.11 -0.02 0.00 1.18 0.00 0.00 52.55 53.60 1i4v s ASP 70 Cb 0.00 0.16 -0.01 0.00 -0.34 0.00 0.00 42.92 42.73 1i4v s ASP 70 CO 0.00 -0.29 -0.09 -0.22 0.68 0.00 0.00 175.17 175.25 1i4v s LEU 71 N -2.79 2.77 -0.06 2.11 0.20 -1.11 -2.68 118.68 117.12 1i4v s LEU 71 Ca 0.13 -0.39 -0.23 0.00 0.69 0.00 0.00 54.13 54.34 1i4v s LEU 71 Cb 0.03 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 1i4v s LEU 71 CO -0.04 0.05 0.67 -0.22 -0.29 0.00 0.00 176.35 176.52 1i4v s LEU 72 N 1.03 4.33 -0.33 -0.68 1.98 -1.01 -2.83 118.68 121.17 1i4v s LEU 72 Ca -0.00 1.16 0.02 0.00 -2.89 0.00 0.00 54.13 52.41 1i4v s LEU 72 Cb -0.15 -3.03 0.10 0.00 0.66 0.00 0.00 46.19 43.77 1i4v s LEU 72 CO -0.01 -0.07 0.07 -0.63 -1.89 0.00 0.00 176.35 173.81 1i4v s ILE 73 N 0.63 1.70 -0.58 6.68 -1.09 -1.02 -2.04 121.20 125.48 1i4v s ILE 73 Ca 0.36 -1.94 -0.27 0.00 -2.23 0.00 0.00 60.65 56.57 1i4v s ILE 73 Cb -0.18 -2.26 0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1i4v s ILE 73 CO 0.17 -0.62 1.10 0.54 -1.23 0.00 0.00 174.94 174.90 1i4v s VAL 74 N 1.20 4.15 -0.72 2.92 0.11 0.21 -3.26 120.40 125.01 1i4v s VAL 74 Ca 0.10 0.63 -0.23 0.00 -2.93 0.00 0.00 61.98 59.55 1i4v s VAL 74 Cb -0.18 -4.67 0.07 0.00 -1.53 0.00 0.00 36.38 30.07 1i4v s VAL 74 CO -0.15 -1.28 1.07 -1.81 -3.33 0.00 0.00 175.10 169.59 1i4v s ASP 75 N 2.97 6.23 -0.57 3.54 1.11 0.13 -0.34 116.67 129.73 1i4v s ASP 75 Ca 0.37 -1.00 -0.20 0.00 0.18 0.00 0.00 52.55 51.91 1i4v s ASP 75 Cb -0.09 -2.45 0.08 0.00 1.07 0.00 0.00 42.92 41.53 1i4v s ASP 75 CO 0.22 -1.49 0.72 -0.94 1.18 0.00 0.00 175.17 174.86 1i4v s SER 76 N 3.75 6.20 0.00 0.27 1.04 -0.83 -1.68 113.70 122.45 1i4v s SER 76 Ca 0.27 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1i4v s SER 76 Cb -0.13 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1i4v s SER 76 CO 0.08 -1.09 0.00 0.00 0.98 0.00 0.00 173.24 173.21 1i4v n ALA 77 N 6.49 0.00 -2.23 5.32 0.00 -1.26 -4.60 120.51 124.24 1i4v n ALA 77 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1i4v n ALA 77 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.25 4.89 -0.15 0.00 1.01 -1.26 -4.99 121.20 119.44 1i4v s ILE 78 Ca 0.00 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 1i4v s ILE 78 Cb 0.00 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1i4v s ILE 78 CO 0.00 -0.88 -0.08 -0.89 0.00 0.00 0.00 174.94 173.09 1i4v s THR 79 N -2.78 3.44 0.00 2.92 2.01 -1.26 -3.99 115.64 115.97 1i4v s THR 79 Ca 0.48 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1i4v s THR 79 Cb -0.10 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1i4v s THR 79 CO 0.46 0.50 0.00 0.00 -0.69 0.00 0.00 174.62 174.89 1i4v n ALA 80 N 3.68 0.00 -2.59 7.40 0.00 -1.26 -5.06 120.51 122.68 1i4v n ALA 80 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1i4v n ALA 80 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.39 0.09 0.40 0.00 0.01 -1.26 -5.08 113.70 107.47 1i4v s SER 81 Ca 0.00 -1.04 -0.25 0.00 1.31 0.00 0.00 55.95 55.97 1i4v s SER 81 Cb 0.00 0.42 -0.11 0.00 0.21 0.00 0.00 66.02 66.54 1i4v s SER 81 CO 0.00 -0.89 1.02 1.41 0.41 0.00 0.00 173.24 175.18 1i4v n HIS 82 N -0.23 1.22 -1.38 2.43 8.25 -1.26 -2.60 115.22 121.64 1i4v n HIS 82 Ca -0.04 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 1i4v n HIS 82 Cb 0.63 -2.24 0.00 0.00 1.12 0.00 0.00 29.99 29.51 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 0.66 2.74 -1.41 0.00 -0.96 -5.00 105.19 102.40 1i4v n GLY 83 Ca 0.09 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.79 1.35 -0.69 1.61 1.01 -1.07 -4.97 116.67 111.12 1i4v s ASP 84 Ca 0.00 -0.02 -0.26 0.00 0.71 0.00 0.00 52.55 52.97 1i4v s ASP 84 Cb 0.00 -0.32 -0.13 0.00 1.01 0.00 0.00 42.92 43.47 1i4v s ASP 84 CO 0.00 -0.20 2.47 0.00 0.21 0.00 0.00 175.17 177.65 1i4v n ILE 85 N 5.11 -0.05 -3.99 0.77 3.06 -1.26 -4.48 119.36 118.52 1i4v n ILE 85 Ca -0.07 -0.55 0.00 0.00 -2.50 0.00 0.00 62.75 59.63 1i4v n ILE 85 Cb 0.50 -1.97 0.00 0.00 0.54 0.00 0.00 39.64 38.71 1i4v n ILE 85 CO 0.00 0.00 0.00 1.33 -2.50 0.00 0.00 176.55 175.38 1i4v n VAL 86 N 7.85 0.00 -3.60 9.51 0.24 -1.23 -4.38 118.33 126.71 1i4v n VAL 86 Ca 0.47 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.39 1i4v n VAL 86 Cb 0.38 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 1i4v n VAL 86 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1i4v s ILE 87 N -1.88 5.06 0.54 1.34 1.10 -1.00 -2.89 121.20 123.46 1i4v s ILE 87 Ca 0.00 -0.09 -0.03 0.00 -0.51 0.00 0.00 60.65 60.02 1i4v s ILE 87 Cb 0.00 -3.49 0.01 0.00 0.15 0.00 0.00 42.46 39.13 1i4v s ILE 87 CO 0.00 0.15 0.81 0.00 -2.11 0.00 0.00 174.94 173.79 1i4v s ALA 88 N 1.70 3.53 -0.17 1.50 0.00 0.07 -2.16 121.76 126.23 1i4v s ALA 88 Ca 0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1i4v s ALA 88 Cb -0.16 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.64 1i4v s ALA 88 CO 0.09 -0.66 0.43 0.00 0.00 0.00 0.00 175.76 175.62 1i4v s ALA 89 N -2.82 -1.09 -0.20 0.00 0.00 -0.39 -2.71 121.76 114.56 1i4v s ALA 89 Ca 0.52 1.49 -0.07 0.00 0.00 0.00 0.00 51.96 53.90 1i4v s ALA 89 Cb -0.10 -0.89 0.09 0.00 0.00 0.00 0.00 23.12 22.21 1i4v s ALA 89 CO 0.42 -0.25 0.43 0.54 0.00 0.00 0.00 175.76 176.89 1i4v s VAL 90 N 1.10 -0.62 -1.54 0.00 0.11 -1.25 -2.88 120.40 115.33 1i4v s VAL 90 Ca -0.07 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1i4v s VAL 90 Cb -0.07 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1i4v s VAL 90 CO -0.10 0.07 0.00 0.47 -3.33 0.00 0.00 175.10 172.21 1i4v n ASP 91 N 5.32 -4.54 -0.06 3.54 9.92 -1.26 -1.48 116.55 127.99 1i4v n ASP 91 Ca -0.10 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 1i4v n ASP 91 Cb 0.50 -3.96 0.00 0.00 -0.64 0.00 0.00 41.12 37.02 1i4v n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i4v n GLY 92 N -0.61 1.27 3.83 0.44 0.00 -1.26 -5.09 105.19 103.77 1i4v n GLY 92 Ca -0.18 -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 -1.95 2.70 -0.23 1.61 0.41 -0.55 -5.11 118.70 115.58 1i4v s GLU 93 Ca 0.00 -1.30 -0.04 0.00 -0.41 0.00 0.00 54.97 53.22 1i4v s GLU 93 Cb 0.00 -2.44 0.09 0.00 -1.78 0.00 0.00 34.13 29.99 1i4v s GLU 93 CO 0.00 0.14 0.14 -0.06 -0.49 0.00 0.00 175.26 174.99 1i4v s PHE 94 N -2.30 0.10 0.31 1.61 0.08 -1.26 -3.75 117.98 112.78 1i4v s PHE 94 Ca 0.39 -0.41 0.11 0.00 0.12 0.00 0.00 56.93 57.14 1i4v s PHE 94 Cb -0.06 -0.69 -0.06 0.00 -0.57 0.00 0.00 43.02 41.65 1i4v s PHE 94 CO 0.26 -0.67 -0.14 0.95 -0.10 0.00 0.00 175.22 175.51 1i4v s THR 95 N 2.17 2.44 -0.28 0.64 -4.23 -1.10 -4.92 115.64 110.37 1i4v s THR 95 Ca 0.06 -2.29 -0.03 0.00 -1.18 0.00 0.00 61.69 58.25 1i4v s THR 95 Cb -0.16 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.30 1i4v s THR 95 CO -0.21 -0.32 0.11 -0.69 -0.54 0.00 0.00 174.62 172.97 1i4v s VAL 96 N -2.54 0.34 -0.06 2.29 1.01 -1.26 -0.75 120.40 119.43 1i4v s VAL 96 Ca 0.31 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1i4v s VAL 96 Cb -0.02 -1.21 0.10 0.00 0.00 0.00 0.00 36.38 35.24 1i4v s VAL 96 CO 0.16 -0.62 1.33 2.29 0.00 0.00 0.00 175.10 178.25 1i4v n LYS 97 N 5.08 0.09 -2.66 2.72 0.00 -1.14 -3.91 118.16 118.33 1i4v n LYS 97 Ca -0.05 -0.63 -0.42 0.00 -0.00 0.00 0.00 58.31 57.21 1i4v n LYS 97 Cb 0.43 1.13 -0.03 0.00 -0.00 0.00 0.00 35.03 36.56 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 -2.01 3.60 0.39 -1.58 1.02 -1.26 -3.56 119.74 116.35 1i4v s LYS 98 Ca 0.32 -1.32 -0.10 0.00 0.02 0.00 0.00 55.97 54.88 1i4v s LYS 98 Cb -0.00 -5.24 -0.06 0.00 -0.52 0.00 0.00 37.83 32.00 1i4v s LYS 98 CO -0.02 -2.09 0.75 -0.48 -0.92 0.00 0.00 175.35 172.60 1i4v s LEU 99 N 4.31 3.86 -0.04 3.17 2.34 -1.26 -4.64 118.68 126.42 1i4v s LEU 99 Ca 0.42 1.11 0.01 0.00 0.06 0.00 0.00 54.13 55.74 1i4v s LEU 99 Cb -0.01 -3.99 0.02 0.00 -0.56 0.00 0.00 46.19 41.65 1i4v s LEU 99 CO -0.09 -0.37 -0.03 -1.58 -1.06 0.00 0.00 176.35 173.21 1i4v s GLN 100 N -3.77 0.70 0.00 1.48 0.74 -1.17 -2.28 119.66 115.37 1i4v s GLN 100 Ca 0.51 -0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.85 1i4v s GLN 100 Cb -0.10 -0.74 0.00 0.00 1.10 0.00 0.00 33.01 33.27 1i4v s GLN 100 CO 0.30 -0.08 0.08 1.28 -0.55 0.00 0.00 175.29 176.32 1i4v n LEU 101 N 4.02 0.17 0.07 3.68 4.77 -1.21 -1.93 117.00 126.56 1i4v n LEU 101 Ca -0.26 -0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 55.37 1i4v n LEU 101 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1i4v n LEU 101 CO 0.23 0.04 0.13 0.03 -1.33 0.00 0.00 177.39 176.50 1i4v h ARG 102 N 0.00 -0.27 0.15 3.23 -0.00 -1.98 -3.36 114.38 112.14 1i4v h ARG 102 Ca 0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.49 1i4v h ARG 102 Cb 0.11 0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.14 1i4v h ARG 102 CO 0.00 -0.14 -0.07 -1.00 0.00 0.00 0.00 179.97 178.76 1i4v h PRO 103 N -1.06 -0.19 -3.56 0.04 0.13 -2.03 -3.46 132.00 121.87 1i4v h PRO 103 Ca -0.03 0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.05 1i4v h PRO 103 Cb 0.25 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 31.29 1i4v h PRO 103 CO 0.05 -0.02 -0.18 0.99 -0.23 0.00 0.00 178.00 178.60 1i4v s THR 104 N -5.65 0.09 -0.66 1.56 2.01 -1.26 -5.10 115.64 106.63 1i4v s THR 104 Ca -0.14 -0.83 -0.23 0.00 0.31 0.00 0.00 61.69 60.80 1i4v s THR 104 Cb 0.04 -1.27 0.07 0.00 0.01 0.00 0.00 72.50 71.35 1i4v s THR 104 CO 0.64 -0.43 0.98 0.54 -0.69 0.00 0.00 174.62 175.66 1i4v s VAL 105 N -3.83 4.30 0.01 3.82 0.11 -1.26 -3.31 120.40 120.24 1i4v s VAL 105 Ca 0.04 -0.32 -0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1i4v s VAL 105 Cb 0.03 -4.69 -0.01 0.00 -1.53 0.00 0.00 36.38 30.17 1i4v s VAL 105 CO -0.11 -1.47 -0.01 -1.10 -3.33 0.00 0.00 175.10 169.08 1i4v s GLN 106 N 4.14 0.24 -0.06 1.54 -0.21 -0.81 -2.77 119.66 121.73 1i4v s GLN 106 Ca 0.23 -0.43 -0.05 0.00 0.02 0.00 0.00 55.36 55.13 1i4v s GLN 106 Cb -0.16 0.09 0.02 0.00 1.00 0.00 0.00 33.01 33.95 1i4v s GLN 106 CO 0.11 -0.04 0.15 -1.17 -2.12 0.00 0.00 175.29 172.21 1i4v s LEU 107 N -1.06 1.27 -0.44 2.90 2.96 -1.11 -3.03 118.68 120.18 1i4v s LEU 107 Ca -0.12 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1i4v s LEU 107 Cb -0.07 0.47 0.19 0.00 0.50 0.00 0.00 46.19 47.28 1i4v s LEU 107 CO -0.01 -0.07 0.50 0.00 -1.32 0.00 0.00 176.35 175.45 1i4v n ILE 108 N 3.29 -0.75 0.00 6.68 0.13 -1.26 -2.43 119.36 125.01 1i4v n ILE 108 Ca -0.16 -2.69 0.00 0.00 -1.10 0.00 0.00 62.75 58.81 1i4v n ILE 108 Cb 0.57 -0.75 0.00 0.00 -0.84 0.00 0.00 39.64 38.62 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 2.64 2.04 -1.16 9.51 -0.05 -1.26 -4.80 135.00 141.92 1i4v n PRO 109 Ca 0.24 0.00 0.15 0.00 -0.05 0.00 0.00 63.50 63.85 1i4v n PRO 109 Cb 0.52 0.00 -0.05 0.00 -0.05 0.00 0.00 33.50 33.92 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 -2.41 0.00 0.54 2.81 -1.26 -4.52 117.12 112.28 1i4v n MET 110 Ca 0.00 1.67 0.00 0.00 -1.81 0.00 0.00 57.70 57.56 1i4v n MET 110 Cb 0.00 -2.91 0.00 0.00 -0.71 0.00 0.00 33.22 29.60 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 -3.73 0.00 -0.10 7.83 2.85 0.43 -4.32 115.26 118.22 1i4v n ASN 111 Ca -0.01 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.33 1i4v n ASN 111 Cb 0.53 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.52 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 0.80 -0.46 1.20 4.64 -1.76 -3.22 113.55 114.75 1i4v h SER 112 Ca 0.00 -0.47 -0.61 0.00 -0.47 0.00 0.00 61.79 60.24 1i4v h SER 112 Cb 0.00 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.81 1i4v h SER 112 CO 0.00 1.11 2.54 0.00 -0.87 0.00 0.00 176.83 179.61 1i4v n ALA 113 N -2.50 7.09 -1.78 5.18 0.00 -1.26 -4.94 120.51 122.28 1i4v n ALA 113 Ca -0.03 -3.44 -0.42 0.00 0.00 0.00 0.00 53.44 49.54 1i4v n ALA 113 Cb 0.48 -2.94 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 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 0.61 1.51 -0.56 0.00 1.13 -1.22 -4.85 117.35 113.97 1i4v s TYR 114 Ca 0.64 -0.20 0.04 0.00 -1.41 0.00 0.00 57.07 56.14 1i4v s TYR 114 Cb 0.22 -4.13 0.15 0.00 -1.10 0.00 0.00 41.96 37.11 1i4v s TYR 114 CO -0.08 -4.92 0.37 -1.12 -2.51 0.00 0.00 175.55 167.29 1i4v s SER 115 N 4.25 3.91 0.12 -0.18 0.01 -1.26 -5.09 113.70 115.46 1i4v s SER 115 Ca 0.84 -3.30 -0.32 0.00 1.31 0.00 0.00 55.95 54.47 1i4v s SER 115 Cb -0.39 -1.30 -0.12 0.00 0.21 0.00 0.00 66.02 64.42 1i4v s SER 115 CO 0.37 -0.16 1.76 -2.65 0.41 0.00 0.00 173.24 172.97 1i4v n PRO 116 N 2.67 2.54 -4.13 12.44 -0.01 -1.26 -4.78 135.00 142.47 1i4v n PRO 116 Ca 0.16 0.92 -0.20 0.00 -0.01 0.00 0.00 63.50 64.37 1i4v n PRO 116 Cb 0.36 -2.77 -0.16 0.00 -0.01 0.00 0.00 33.50 30.92 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 2.24 0.54 0.35 4.25 1.10 -1.02 -5.05 121.20 123.62 1i4v s ILE 117 Ca 0.82 -0.11 -0.14 0.00 -0.51 0.00 0.00 60.65 60.71 1i4v s ILE 117 Cb -0.56 -0.58 -0.08 0.00 0.15 0.00 0.00 42.46 41.39 1i4v s ILE 117 CO 0.39 0.23 0.76 0.28 -2.11 0.00 0.00 174.94 174.49 1i4v s THR 118 N 1.02 4.70 0.40 4.00 -1.32 -1.26 -2.74 115.64 120.43 1i4v s THR 118 Ca -0.09 0.88 0.08 0.00 -1.21 0.00 0.00 61.69 61.34 1i4v s THR 118 Cb -0.14 -3.65 -0.03 0.00 -1.51 0.00 0.00 72.50 67.17 1i4v s THR 118 CO -0.00 -0.30 0.27 -0.63 -2.21 0.00 0.00 174.62 171.75 1i4v s ILE 119 N -2.12 2.66 0.00 5.08 1.01 -1.11 -4.97 121.20 121.74 1i4v s ILE 119 Ca 0.54 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1i4v s ILE 119 Cb -0.10 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1i4v s ILE 119 CO 0.21 -0.04 0.00 -1.20 0.00 0.00 0.00 174.94 173.92 1i4v n SER 120 N -1.38 -1.13 -3.53 3.58 7.64 -1.26 -4.59 113.62 112.95 1i4v n SER 120 Ca 0.01 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.49 1i4v n SER 120 Cb 0.62 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.77 1i4v n SER 120 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1i4v n SER 121 N -1.70 2.56 -3.51 6.43 2.88 -1.26 -4.30 113.62 114.71 1i4v n SER 121 Ca 0.00 -2.59 -0.23 0.00 -1.33 0.00 0.00 58.87 54.72 1i4v n SER 121 Cb 0.00 -1.02 0.04 0.00 -0.75 0.00 0.00 64.21 62.48 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 6.71 -1.45 0.00 -1.46 2.13 -1.26 -4.96 120.64 120.35 1i4v n GLU 122 Ca 0.47 0.73 0.00 0.00 0.66 0.00 0.00 57.16 59.02 1i4v n GLU 122 Cb 0.36 -4.52 0.00 0.00 0.27 0.00 0.00 31.44 27.54 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 -2.63 0.00 -3.32 4.31 9.92 -1.26 -4.82 116.55 118.75 1i4v n ASP 123 Ca -0.10 0.44 -0.24 0.00 -0.53 0.00 0.00 54.79 54.36 1i4v n ASP 123 Cb 0.59 -0.34 -0.09 0.00 -0.64 0.00 0.00 41.12 40.65 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 -1.02 0.12 -0.35 -3.53 2.01 -1.26 -5.07 115.64 106.54 1i4v s THR 124 Ca 0.00 -2.27 0.01 0.00 0.31 0.00 0.00 61.69 59.74 1i4v s THR 124 Cb 0.00 -1.06 0.11 0.00 0.01 0.00 0.00 72.50 71.56 1i4v s THR 124 CO 0.00 -1.04 0.12 -0.76 -0.69 0.00 0.00 174.62 172.26 1i4v s LEU 125 N 0.33 2.98 -0.00 4.42 2.01 -1.26 -4.26 118.68 122.89 1i4v s LEU 125 Ca 0.30 -2.01 -0.10 0.00 0.01 0.00 0.00 54.13 52.34 1i4v s LEU 125 Cb -0.00 -1.10 0.01 0.00 0.01 0.00 0.00 46.19 45.10 1i4v s LEU 125 CO -0.15 -0.37 0.19 -0.62 1.01 0.00 0.00 176.35 176.41 1i4v s ASP 126 N 1.13 -0.04 0.32 2.29 2.15 -1.14 -4.98 116.67 116.39 1i4v s ASP 126 Ca 0.12 -0.11 -0.17 0.00 0.43 0.00 0.00 52.55 52.82 1i4v s ASP 126 Cb -0.19 0.24 -0.09 0.00 -0.30 0.00 0.00 42.92 42.57 1i4v s ASP 126 CO -0.15 -0.39 0.77 -0.69 -0.17 0.00 0.00 175.17 174.54 1i4v s VAL 127 N -1.35 4.60 -0.21 1.11 1.01 -1.26 -1.26 120.40 123.04 1i4v s VAL 127 Ca -0.14 1.12 0.10 0.00 0.00 0.00 0.00 61.98 63.06 1i4v s VAL 127 Cb -0.07 -3.67 -0.22 0.00 0.00 0.00 0.00 36.38 32.42 1i4v s VAL 127 CO 0.02 -0.11 0.02 0.33 0.00 0.00 0.00 175.10 175.36 1i4v n PHE 128 N -0.14 0.15 -1.81 5.22 7.35 -0.92 -4.90 117.46 122.41 1i4v n PHE 128 Ca 0.03 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1i4v n PHE 128 Cb 0.53 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.33 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 1.94 2.52 3.19 7.13 0.00 -1.26 -4.43 105.19 114.29 1i4v n GLY 129 Ca -0.37 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1i4v n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i4v s VAL 130 N -1.91 1.48 -0.39 1.61 1.01 -0.68 -2.37 120.40 119.16 1i4v s VAL 130 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1i4v s VAL 130 Cb 0.00 -1.25 0.13 0.00 0.00 0.00 0.00 36.38 35.26 1i4v s VAL 130 CO 0.00 0.37 0.20 0.54 0.00 0.00 0.00 175.10 176.21 1i4v s VAL 131 N -0.51 1.03 0.00 2.92 0.11 -1.26 -0.70 120.40 122.00 1i4v s VAL 131 Ca 0.07 -2.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.03 1i4v s VAL 131 Cb -0.07 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 1i4v s VAL 131 CO -0.00 -0.85 0.62 0.00 -3.33 0.00 0.00 175.10 171.54 1i4v n ILE 132 N 3.98 0.00 -2.22 7.04 3.06 -1.25 -4.80 119.36 125.17 1i4v n ILE 132 Ca 0.06 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.89 1i4v n ILE 132 Cb 0.37 0.47 -0.02 0.00 0.54 0.00 0.00 39.64 40.99 1i4v n ILE 132 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1i4v s HIS 133 N 0.00 2.16 -0.23 9.51 3.76 -1.20 -4.95 115.29 124.33 1i4v s HIS 133 Ca 0.00 0.64 -0.11 0.00 -0.15 0.00 0.00 55.06 55.45 1i4v s HIS 133 Cb 0.00 -4.25 -0.05 0.00 1.11 0.00 0.00 32.58 29.39 1i4v s HIS 133 CO 0.00 -2.31 0.16 0.08 -0.85 0.00 0.00 174.74 171.82 1i4v s VAL 134 N 6.15 5.36 -0.41 -0.90 1.01 -1.26 -2.45 120.40 127.91 1i4v s VAL 134 Ca 0.67 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.85 1i4v s VAL 134 Cb -0.16 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.83 1i4v s VAL 134 CO 0.32 0.35 0.15 -0.69 0.00 0.00 0.00 175.10 175.24 1i4v s VAL 135 N 0.98 2.72 -0.74 2.92 1.01 -1.13 -4.99 120.40 121.18 1i4v s VAL 135 Ca 0.08 -2.45 -0.24 0.00 0.00 0.00 0.00 61.98 59.37 1i4v s VAL 135 Cb -0.13 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.38 1i4v s VAL 135 CO 0.04 -0.68 1.15 -0.54 0.00 0.00 0.00 175.10 175.08 1i4v s LYS 136 N 0.73 3.21 -0.63 2.72 -0.14 -1.26 -2.76 119.74 121.61 1i4v s LYS 136 Ca 0.11 -0.64 -0.28 0.00 -1.36 0.00 0.00 55.97 53.81 1i4v s LYS 136 Cb -0.21 -4.33 0.03 0.00 -1.68 0.00 0.00 37.83 31.64 1i4v s LYS 136 CO -0.05 -2.00 1.21 0.00 -0.76 0.00 0.00 175.35 173.75 1i4v s ALA 137 N 4.82 2.93 -0.00 5.17 0.00 -1.26 -4.99 121.76 128.43 1i4v s ALA 137 Ca 0.30 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1i4v s ALA 137 Cb -0.11 -4.09 -0.01 0.00 0.00 0.00 0.00 23.12 18.91 1i4v s ALA 137 CO 0.10 -2.84 -0.17 -1.64 0.00 0.00 0.00 175.76 171.21 1i4v s MET 138 N 5.14 1.30 0.00 0.00 -1.94 -1.26 -5.07 119.30 117.47 1i4v s MET 138 Ca 0.40 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1i4v s MET 138 Cb -0.08 -1.28 0.00 0.00 2.01 0.00 0.00 34.83 35.48 1i4v s MET 138 CO 0.22 0.35 0.00 2.89 -0.01 0.00 0.00 175.02 178.47