#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4v s PHE 26 N 0.00 3.11 1.42 0.00 0.08 -1.26 -5.10 117.98 116.24 1i4v s PHE 26 Ca 0.00 -0.22 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 1i4v s PHE 26 Cb 0.00 -1.99 0.37 0.00 -0.57 0.00 0.00 43.02 40.83 1i4v s PHE 26 CO 0.00 -0.00 0.93 -2.14 -0.10 0.00 0.00 175.22 173.90 1i4v s PRO 27 N -4.17 -2.93 -0.47 0.24 0.01 -1.26 -5.03 135.00 121.39 1i4v s PRO 27 Ca 0.45 0.16 0.06 0.00 0.01 0.00 0.00 61.00 61.69 1i4v s PRO 27 Cb -0.09 -1.37 0.26 0.00 0.01 0.00 0.00 34.50 33.31 1i4v s PRO 27 CO 0.31 -4.89 0.90 0.45 0.01 0.00 0.00 177.00 173.79 1i4v n SER 28 N -5.64 -2.33 -4.64 2.53 2.88 -1.26 -5.11 113.62 100.04 1i4v n SER 28 Ca 0.12 -3.34 -0.42 0.00 -1.33 0.00 0.00 58.87 53.90 1i4v n SER 28 Cb 0.60 1.53 -0.03 0.00 -0.75 0.00 0.00 64.21 65.56 1i4v n SER 28 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1i4v s PRO 29 N 0.29 3.88 -0.39 -1.46 0.05 -1.26 -4.89 135.00 131.23 1i4v s PRO 29 Ca 0.30 2.36 0.11 0.00 0.05 0.00 0.00 61.00 63.82 1i4v s PRO 29 Cb 0.24 -4.18 0.34 0.00 0.05 0.00 0.00 34.50 30.95 1i4v s PRO 29 CO -0.18 -1.24 0.82 0.00 0.05 0.00 0.00 177.00 176.45 1i4v n ALA 30 N 8.53 1.39 -2.70 8.56 0.00 -1.26 -5.11 120.51 129.92 1i4v n ALA 30 Ca 0.22 -2.96 -0.15 0.00 0.00 0.00 0.00 53.44 50.54 1i4v n ALA 30 Cb 0.42 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 1i4v n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i4v s ALA 31 N -1.83 0.94 -0.06 0.00 0.00 -1.26 -5.05 121.76 114.49 1i4v s ALA 31 Ca 0.36 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1i4v s ALA 31 Cb 0.34 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1i4v s ALA 31 CO -0.07 0.04 -0.05 -0.25 0.00 0.00 0.00 175.76 175.43 1i4v n ASP 32 N 1.15 3.52 -4.84 0.00 9.92 -1.26 -5.01 116.55 120.02 1i4v n ASP 32 Ca -0.20 -0.03 -0.36 0.00 -0.53 0.00 0.00 54.79 53.67 1i4v n ASP 32 Cb 0.55 -0.08 -0.06 0.00 -0.64 0.00 0.00 41.12 40.90 1i4v n ASP 32 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1i4v s TYR 33 N -2.13 3.62 -0.21 1.24 -0.85 -1.26 -5.00 117.35 112.77 1i4v s TYR 33 Ca -0.08 1.05 -0.04 0.00 -0.52 0.00 0.00 57.07 57.48 1i4v s TYR 33 Cb 0.02 -2.36 -0.20 0.00 0.38 0.00 0.00 41.96 39.81 1i4v s TYR 33 CO 0.15 0.46 -0.01 0.28 -1.52 0.00 0.00 175.55 174.90 1i4v n VAL 34 N 0.92 1.60 -2.21 -3.49 0.31 -1.26 -5.09 118.33 109.10 1i4v n VAL 34 Ca -0.06 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1i4v n VAL 34 Cb 0.52 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1i4v n VAL 34 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1i4v n GLU 35 N -3.48 0.00 0.00 5.55 4.07 -1.26 -5.19 120.64 120.33 1i4v n GLU 35 Ca -0.41 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.69 1i4v n GLU 35 Cb 0.99 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.37 1i4v n GLU 35 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1i4v n GLN 36 N 0.00 0.00 -2.69 5.31 7.27 -1.26 -5.10 117.38 120.91 1i4v n GLN 36 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1i4v n GLN 36 Cb 0.00 0.00 0.08 0.00 2.41 0.00 0.00 30.24 32.73 1i4v n GLN 36 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1i4v n ARG 37 N 0.00 0.89 -1.69 3.69 0.63 -1.26 -5.12 116.66 113.80 1i4v n ARG 37 Ca 0.00 -1.52 -0.44 0.00 -0.92 0.00 0.00 57.85 54.97 1i4v n ARG 37 Cb 0.00 -0.17 -0.04 0.00 0.45 0.00 0.00 32.46 32.70 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 -0.39 0.27 0.11 5.15 0.13 -1.26 -4.91 119.36 118.45 1i4v n ILE 38 Ca -0.08 -0.05 -0.06 0.00 -1.10 0.00 0.00 62.75 61.47 1i4v n ILE 38 Cb 0.78 -1.92 -0.03 0.00 -0.84 0.00 0.00 39.64 37.63 1i4v n ILE 38 CO 0.00 0.00 0.00 -0.78 2.80 0.00 0.00 176.55 178.57 1i4v h ASP 39 N 7.78 -0.43 0.00 9.51 3.58 -2.00 -3.40 116.42 131.46 1i4v h ASP 39 Ca -0.46 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1i4v h ASP 39 Cb 1.24 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1i4v h ASP 39 CO 0.93 -0.22 0.00 -0.11 -2.88 0.00 0.00 179.24 176.96 1i4v n LEU 40 N -3.27 0.00 -0.30 2.28 7.94 -1.26 0.22 117.00 122.60 1i4v n LEU 40 Ca -0.04 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.02 1i4v n LEU 40 Cb 0.15 0.00 0.41 0.00 0.53 0.00 0.00 43.42 44.51 1i4v n LEU 40 CO 0.09 0.00 1.21 -0.55 -1.11 0.00 0.00 177.39 177.03 1i4v h ASN 41 N 0.00 0.62 0.93 1.96 7.08 -1.88 0.66 115.58 124.95 1i4v h ASN 41 Ca 0.00 0.07 -0.22 0.00 -3.08 0.00 0.00 56.30 53.07 1i4v h ASN 41 Cb 0.00 -0.04 -0.02 0.00 -2.08 0.00 0.00 38.32 36.17 1i4v h ASN 41 CO 0.00 0.23 -1.03 -0.61 -2.08 0.00 0.00 177.43 173.95 1i4v h GLN 42 N 0.61 0.04 0.11 4.14 5.75 0.26 -1.56 115.11 124.47 1i4v h GLN 42 Ca 0.53 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.96 1i4v h GLN 42 Cb 1.02 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 1i4v h GLN 42 CO -0.28 1.02 -0.23 1.25 -2.65 0.00 0.00 178.83 177.95 1i4v h LEU 43 N 0.01 -0.66 0.04 -2.39 6.46 0.42 -3.35 115.31 115.85 1i4v h LEU 43 Ca -0.03 0.06 -0.36 0.00 -0.12 0.00 0.00 57.88 57.43 1i4v h LEU 43 Cb 1.78 0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 41.90 1i4v h LEU 43 CO 0.14 -0.26 -2.17 0.18 -0.62 0.00 0.00 178.44 175.71 1i4v n LEU 44 N -3.72 1.96 -4.92 2.25 7.99 -0.95 -4.97 117.00 114.64 1i4v n LEU 44 Ca -0.04 0.10 -0.22 0.00 -0.01 0.00 0.00 56.01 55.84 1i4v n LEU 44 Cb 0.19 -0.53 -0.00 0.00 -0.11 0.00 0.00 43.42 42.96 1i4v n LEU 44 CO 0.08 0.74 0.09 -0.63 -1.51 0.00 0.00 177.39 176.16 1i4v s ILE 45 N -2.54 2.32 0.00 -0.08 1.01 -0.59 -5.06 121.20 116.25 1i4v s ILE 45 Ca -0.21 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.14 1i4v s ILE 45 Cb 0.07 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.93 1i4v s ILE 45 CO 0.74 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.68 1i4v n GLN 46 N -1.76 0.00 -2.15 2.79 6.02 -1.23 -3.38 117.38 117.68 1i4v n GLN 46 Ca 0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.68 1i4v n GLN 46 Cb 0.62 -0.48 0.01 0.00 1.02 0.00 0.00 30.24 31.41 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 -1.72 2.58 0.05 1.08 3.76 -1.26 -4.86 115.29 114.91 1i4v s HIS 47 Ca 0.00 1.52 -0.24 0.00 -0.15 0.00 0.00 55.06 56.19 1i4v s HIS 47 Cb 0.00 -3.39 -0.17 0.00 1.11 0.00 0.00 32.58 30.13 1i4v s HIS 47 CO 0.00 -1.86 1.57 -1.00 -0.85 0.00 0.00 174.74 172.60 1i4v h PRO 48 N 1.21 -0.05 -0.50 8.40 0.14 -1.97 -3.39 132.00 135.85 1i4v h PRO 48 Ca -0.50 0.00 -0.28 0.00 0.14 0.00 0.00 66.00 65.36 1i4v h PRO 48 Cb 1.27 0.01 -0.29 0.00 0.14 0.00 0.00 31.00 32.13 1i4v h PRO 48 CO 0.57 0.13 -0.82 0.43 0.14 0.00 0.00 178.00 178.45 1i4v n SER 49 N -5.03 0.06 -2.24 1.44 7.64 -1.26 -4.92 113.62 109.30 1i4v n SER 49 Ca -0.08 -2.49 -0.07 0.00 1.01 0.00 0.00 58.87 57.24 1i4v n SER 49 Cb 0.12 0.11 0.05 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.46 3.48 -3.17 -0.43 0.00 -1.26 -5.05 120.51 113.62 1i4v n ALA 50 Ca 0.02 -3.11 -0.22 0.00 0.00 0.00 0.00 53.44 50.13 1i4v n ALA 50 Cb 0.83 -0.63 -0.16 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.62 0.97 0.10 0.00 2.01 -1.26 -1.33 115.64 112.52 1i4v s THR 51 Ca 0.37 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.99 1i4v s THR 51 Cb 0.36 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1i4v s THR 51 CO -0.03 0.30 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.85 1i4v s TYR 52 N 0.35 2.88 0.05 4.92 2.02 0.35 -4.79 117.35 123.12 1i4v s TYR 52 Ca -0.07 -0.09 -0.05 0.00 -0.37 0.00 0.00 57.07 56.50 1i4v s TYR 52 Cb -0.11 -1.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1i4v s TYR 52 CO 0.02 0.46 0.07 -0.59 -1.57 0.00 0.00 175.55 173.94 1i4v s PHE 53 N -1.31 0.30 -0.21 2.71 -0.12 -1.26 0.14 117.98 118.23 1i4v s PHE 53 Ca 0.24 -0.71 -0.19 0.00 -0.05 0.00 0.00 56.93 56.22 1i4v s PHE 53 Cb -0.11 -0.21 0.06 0.00 -0.63 0.00 0.00 43.02 42.13 1i4v s PHE 53 CO 0.17 -0.41 0.56 0.54 -0.05 0.00 0.00 175.22 176.02 1i4v s VAL 54 N -3.33 -0.00 0.12 -2.49 0.11 -0.38 -4.97 120.40 109.46 1i4v s VAL 54 Ca 0.01 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.76 1i4v s VAL 54 Cb 0.03 -0.78 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 1i4v s VAL 54 CO -0.08 0.00 1.23 -0.75 -3.33 0.00 0.00 175.10 172.17 1i4v s LYS 55 N 0.37 4.44 -0.40 1.54 2.36 -1.26 -1.91 119.74 124.87 1i4v s LYS 55 Ca -0.01 1.86 -0.21 0.00 -2.55 0.00 0.00 55.97 55.07 1i4v s LYS 55 Cb -0.04 -3.29 0.01 0.00 -1.05 0.00 0.00 37.83 33.47 1i4v s LYS 55 CO -0.00 -0.21 0.65 0.00 1.55 0.00 0.00 175.35 177.33 1i4v s ALA 56 N 0.60 3.39 -0.43 3.13 0.00 -1.06 -4.91 121.76 122.47 1i4v s ALA 56 Ca 0.57 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.57 1i4v s ALA 56 Cb -0.32 -3.26 0.28 0.00 0.00 0.00 0.00 23.12 19.82 1i4v s ALA 56 CO 0.32 -1.60 0.63 0.45 0.00 0.00 0.00 175.76 175.56 1i4v n SER 57 N 6.20 1.05 0.00 0.00 2.88 -1.26 -2.64 113.62 119.85 1i4v n SER 57 Ca -0.01 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.60 1i4v n SER 57 Cb 0.48 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.97 1.00 1.08 0.46 0.00 -1.26 -4.86 105.19 102.57 1i4v n GLY 58 Ca 0.24 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.20 -0.08 1.61 5.68 -1.26 -2.64 116.55 119.66 1i4v n ASP 59 Ca 0.00 -0.72 -0.11 0.00 -0.50 0.00 0.00 54.79 53.47 1i4v n ASP 59 Cb 0.00 0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.11 2.71 -1.91 -1.12 3.41 -1.26 -4.47 113.62 110.87 1i4v n SER 60 Ca -0.04 -0.08 -0.16 0.00 -0.26 0.00 0.00 58.87 58.34 1i4v n SER 60 Cb 0.43 -0.17 0.21 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.92 2.42 0.11 4.33 2.81 -1.26 0.11 117.12 122.72 1i4v n MET 61 Ca -0.27 -3.06 0.19 0.00 -1.81 0.00 0.00 57.70 52.74 1i4v n MET 61 Cb 0.81 -2.09 0.75 0.00 -0.71 0.00 0.00 33.22 31.98 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 1.31 0.56 -0.47 2.02 2.04 -1.79 0.38 117.51 121.55 1i4v h ILE 62 Ca 0.46 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.46 1i4v h ILE 62 Cb 2.47 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 1i4v h ILE 62 CO 0.86 0.00 0.41 -2.24 0.00 0.00 0.00 178.15 177.18 1i4v h ASP 63 N 0.00 0.00 0.35 1.72 3.04 -1.84 0.24 116.42 119.92 1i4v h ASP 63 Ca 0.16 0.00 -0.32 0.00 -3.24 0.00 0.00 57.03 53.63 1i4v h ASP 63 Cb 0.79 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.08 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 0.36 0.00 7.15 0.00 -0.62 -3.41 103.07 106.55 1i4v h GLY 64 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1i4v h GLY 64 CO -0.00 0.81 0.00 0.61 0.00 0.00 0.00 176.54 177.95 1i4v n GLY 65 N 1.74 0.57 3.58 4.60 0.00 0.83 -4.91 105.19 111.60 1i4v n GLY 65 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 3.79 -0.49 -0.61 -5.25 -1.25 -4.89 121.20 112.51 1i4v s ILE 66 Ca 0.00 0.67 0.08 0.00 -0.99 0.00 0.00 60.65 60.41 1i4v s ILE 66 Cb 0.00 -4.44 0.28 0.00 2.95 0.00 0.00 42.46 41.26 1i4v s ILE 66 CO 0.00 -1.17 0.69 -1.20 -1.79 0.00 0.00 174.94 171.48 1i4v n SER 67 N 9.57 1.99 -3.11 4.36 7.64 -1.26 -3.21 113.62 129.60 1i4v n SER 67 Ca 0.12 -3.13 -0.00 0.00 1.01 0.00 0.00 58.87 56.88 1i4v n SER 67 Cb 0.49 -0.63 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1i4v n SER 67 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1i4v n ASP 68 N 0.76 -7.16 0.00 6.43 2.03 -1.08 -4.70 116.55 112.82 1i4v n ASP 68 Ca 0.26 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1i4v n ASP 68 Cb 0.50 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 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 2.05 0.70 3.63 0.27 0.00 -1.08 -4.94 105.19 105.82 1i4v n GLY 69 Ca -0.01 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.07 -0.06 -0.11 1.61 1.47 -1.26 -4.76 116.67 112.50 1i4v s ASP 70 Ca 0.00 -0.14 0.03 0.00 1.18 0.00 0.00 52.55 53.62 1i4v s ASP 70 Cb 0.00 0.16 -0.01 0.00 -0.34 0.00 0.00 42.92 42.74 1i4v s ASP 70 CO 0.00 -0.30 -0.21 -0.22 0.68 0.00 0.00 175.17 175.12 1i4v s LEU 71 N -3.01 2.29 -0.24 2.11 0.20 -1.07 -2.56 118.68 116.40 1i4v s LEU 71 Ca 0.15 -0.48 -0.14 0.00 0.69 0.00 0.00 54.13 54.34 1i4v s LEU 71 Cb 0.05 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 44.30 1i4v s LEU 71 CO -0.04 0.17 0.34 -0.22 -0.29 0.00 0.00 176.35 176.32 1i4v s LEU 72 N 0.30 4.10 -0.30 -0.68 1.98 -0.80 -1.26 118.68 122.01 1i4v s LEU 72 Ca -0.15 0.35 0.03 0.00 -2.89 0.00 0.00 54.13 51.46 1i4v s LEU 72 Cb -0.17 -2.40 0.08 0.00 0.66 0.00 0.00 46.19 44.36 1i4v s LEU 72 CO 0.08 -0.09 -0.03 -0.63 -1.89 0.00 0.00 176.35 173.78 1i4v s ILE 73 N 1.58 2.29 0.10 6.68 -1.09 0.12 -1.25 121.20 129.63 1i4v s ILE 73 Ca 0.15 -1.93 0.03 0.00 -2.23 0.00 0.00 60.65 56.67 1i4v s ILE 73 Cb -0.15 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 1i4v s ILE 73 CO 0.08 -0.29 0.16 0.54 -1.23 0.00 0.00 174.94 174.20 1i4v s VAL 74 N 1.03 4.87 -0.46 2.92 0.11 0.38 -0.57 120.40 128.67 1i4v s VAL 74 Ca -0.00 -0.72 -0.04 0.00 -2.93 0.00 0.00 61.98 58.29 1i4v s VAL 74 Cb -0.20 -3.41 0.12 0.00 -1.53 0.00 0.00 36.38 31.36 1i4v s VAL 74 CO -0.06 0.05 0.28 -1.81 -3.33 0.00 0.00 175.10 170.22 1i4v s ASP 75 N -2.70 5.32 -0.66 3.54 1.11 -1.23 0.13 116.67 122.18 1i4v s ASP 75 Ca 0.32 -2.19 -0.27 0.00 0.18 0.00 0.00 52.55 50.59 1i4v s ASP 75 Cb -0.12 -1.86 0.01 0.00 1.07 0.00 0.00 42.92 42.03 1i4v s ASP 75 CO 0.25 -0.53 1.44 -0.94 1.18 0.00 0.00 175.17 176.57 1i4v s SER 76 N 1.71 5.97 0.00 0.27 1.04 -0.44 -1.92 113.70 120.33 1i4v s SER 76 Ca 0.10 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1i4v s SER 76 Cb -0.23 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1i4v s SER 76 CO -0.04 -1.90 0.00 0.00 0.98 0.00 0.00 173.24 172.28 1i4v n ALA 77 N 10.12 0.00 -2.60 5.32 0.00 -1.21 -4.36 120.51 127.78 1i4v n ALA 77 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.31 1i4v n ALA 77 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.84 3.58 -0.27 0.00 1.09 -1.26 -5.03 121.20 117.48 1i4v s ILE 78 Ca 0.00 -1.54 -0.15 0.00 -1.10 0.00 0.00 60.65 57.86 1i4v s ILE 78 Cb 0.00 -3.13 -0.04 0.00 -1.06 0.00 0.00 42.46 38.23 1i4v s ILE 78 CO 0.00 -0.24 0.36 -0.89 -0.10 0.00 0.00 174.94 174.07 1i4v s THR 79 N -2.30 5.18 0.00 2.92 2.01 -1.26 -3.47 115.64 118.72 1i4v s THR 79 Ca 0.37 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.92 1i4v s THR 79 Cb -0.05 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1i4v s THR 79 CO 0.24 0.17 0.00 0.00 -0.69 0.00 0.00 174.62 174.34 1i4v n ALA 80 N 5.25 0.00 -3.04 7.40 0.00 -1.07 -4.93 120.51 124.12 1i4v n ALA 80 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1i4v n ALA 80 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.92 0.12 0.45 0.00 0.01 -1.26 -5.03 113.70 106.07 1i4v s SER 81 Ca 0.00 -0.34 -0.24 0.00 1.31 0.00 0.00 55.95 56.68 1i4v s SER 81 Cb 0.00 0.16 -0.09 0.00 0.21 0.00 0.00 66.02 66.30 1i4v s SER 81 CO 0.00 -0.35 1.15 1.41 0.41 0.00 0.00 173.24 175.86 1i4v n HIS 82 N 1.47 1.67 -2.53 2.43 8.25 -1.26 -3.00 115.22 122.24 1i4v n HIS 82 Ca -0.23 0.51 -0.01 0.00 -0.26 0.00 0.00 57.72 57.73 1i4v n HIS 82 Cb 0.55 -2.30 0.00 0.00 1.12 0.00 0.00 29.99 29.37 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 0.99 0.85 3.10 -1.41 0.00 -1.12 -4.98 105.19 102.63 1i4v n GLY 83 Ca 0.09 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.02 -0.14 -0.62 1.61 1.11 -1.16 -5.00 116.67 109.44 1i4v s ASP 84 Ca 0.03 0.21 -0.27 0.00 0.18 0.00 0.00 52.55 52.70 1i4v s ASP 84 Cb -0.01 0.35 -0.00 0.00 1.07 0.00 0.00 42.92 44.32 1i4v s ASP 84 CO 0.04 -0.18 1.65 -0.51 1.18 0.00 0.00 175.17 177.34 1i4v s ILE 85 N -0.43 3.52 0.29 0.77 2.07 -1.26 -3.65 121.20 122.51 1i4v s ILE 85 Ca -0.05 0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.54 1i4v s ILE 85 Cb -0.03 -4.24 -0.00 0.00 0.13 0.00 0.00 42.46 38.31 1i4v s ILE 85 CO 0.01 -1.16 0.36 1.33 -1.91 0.00 0.00 174.94 173.57 1i4v n VAL 86 N 6.96 0.00 -3.65 4.00 0.24 -1.17 -4.36 118.33 120.35 1i4v n VAL 86 Ca 0.15 -1.69 -0.36 0.00 -2.04 0.00 0.00 64.34 60.39 1i4v n VAL 86 Cb 0.51 0.97 -0.09 0.00 -1.47 0.00 0.00 33.84 33.75 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 -2.88 5.35 0.56 1.34 1.10 -1.26 -2.75 121.20 122.67 1i4v s ILE 87 Ca 0.28 0.22 -0.01 0.00 -0.51 0.00 0.00 60.65 60.63 1i4v s ILE 87 Cb -0.00 -3.51 0.03 0.00 0.15 0.00 0.00 42.46 39.13 1i4v s ILE 87 CO 0.20 0.35 0.80 0.00 -2.11 0.00 0.00 174.94 174.18 1i4v s ALA 88 N 0.98 3.71 -0.19 1.50 0.00 0.55 -1.19 121.76 127.13 1i4v s ALA 88 Ca 0.08 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 1i4v s ALA 88 Cb -0.13 -2.21 0.06 0.00 0.00 0.00 0.00 23.12 20.84 1i4v s ALA 88 CO 0.04 -0.78 0.47 0.00 0.00 0.00 0.00 175.76 175.49 1i4v s ALA 89 N -2.82 -1.21 -0.19 0.00 0.00 0.02 -2.36 121.76 115.20 1i4v s ALA 89 Ca 0.56 1.60 -0.09 0.00 0.00 0.00 0.00 51.96 54.03 1i4v s ALA 89 Cb -0.10 -0.95 0.07 0.00 0.00 0.00 0.00 23.12 22.14 1i4v s ALA 89 CO 0.40 -0.27 0.44 0.54 0.00 0.00 0.00 175.76 176.87 1i4v s VAL 90 N 1.07 -0.26 -1.49 0.00 0.11 -1.24 -2.79 120.40 115.80 1i4v s VAL 90 Ca -0.07 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1i4v s VAL 90 Cb -0.06 -0.67 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1i4v s VAL 90 CO -0.09 0.04 0.00 0.47 -3.33 0.00 0.00 175.10 172.19 1i4v n ASP 91 N 4.68 -3.96 -0.03 3.54 9.92 -1.26 -0.99 116.55 128.44 1i4v n ASP 91 Ca -0.18 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1i4v n ASP 91 Cb 0.53 -3.58 0.00 0.00 -0.64 0.00 0.00 41.12 37.43 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 -0.39 1.44 3.84 0.44 0.00 -1.26 -5.10 105.19 104.16 1i4v n GLY 92 Ca -0.15 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.59 2.91 -0.37 1.61 0.41 -0.16 -5.09 118.70 116.42 1i4v s GLU 93 Ca 0.00 -1.09 0.01 0.00 -0.41 0.00 0.00 54.97 53.48 1i4v s GLU 93 Cb 0.00 -2.57 0.14 0.00 -1.78 0.00 0.00 34.13 29.92 1i4v s GLU 93 CO 0.00 0.33 0.22 -0.06 -0.49 0.00 0.00 175.26 175.26 1i4v s PHE 94 N -2.16 0.93 0.45 1.61 0.08 -1.26 -3.60 117.98 114.02 1i4v s PHE 94 Ca 0.35 -1.77 0.03 0.00 0.12 0.00 0.00 56.93 55.66 1i4v s PHE 94 Cb -0.08 -1.07 0.03 0.00 -0.57 0.00 0.00 43.02 41.34 1i4v s PHE 94 CO 0.26 -0.82 0.29 -2.37 -0.10 0.00 0.00 175.22 172.47 1i4v n THR 95 N 3.92 0.00 -1.59 0.64 5.66 -1.00 -4.91 114.28 117.00 1i4v n THR 95 Ca 0.12 -1.82 0.00 0.00 -3.05 0.00 0.00 64.05 59.30 1i4v n THR 95 Cb 0.37 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 1i4v n THR 95 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1i4v n VAL 96 N -1.48 0.00 -1.06 1.08 0.31 -1.26 -0.33 118.33 115.59 1i4v n VAL 96 Ca -0.04 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.43 1i4v n VAL 96 Cb 0.52 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.41 1i4v n VAL 96 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1i4v n LYS 97 N 0.00 -2.15 -3.15 5.55 4.81 -1.11 -4.46 118.16 117.65 1i4v n LYS 97 Ca 0.00 1.43 -0.39 0.00 -0.87 0.00 0.00 58.31 58.48 1i4v n LYS 97 Cb 0.00 -2.62 -0.06 0.00 0.02 0.00 0.00 35.03 32.38 1i4v n LYS 97 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1i4v s LYS 98 N -1.95 4.35 0.15 1.64 1.02 -1.24 -3.07 119.74 120.64 1i4v s LYS 98 Ca 0.00 0.84 0.10 0.00 0.02 0.00 0.00 55.97 56.93 1i4v s LYS 98 Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1i4v s LYS 98 CO 0.00 0.44 -0.22 -0.48 -0.92 0.00 0.00 175.35 174.17 1i4v s LEU 99 N -0.47 2.38 -0.10 3.17 2.34 -1.26 -4.43 118.68 120.30 1i4v s LEU 99 Ca 0.32 -0.79 0.02 0.00 0.06 0.00 0.00 54.13 53.75 1i4v s LEU 99 Cb -0.19 -0.99 0.01 0.00 -0.56 0.00 0.00 46.19 44.46 1i4v s LEU 99 CO 0.20 0.07 -0.17 -1.10 -1.06 0.00 0.00 176.35 174.28 1i4v s GLN 100 N -2.37 2.36 0.00 1.48 -0.21 -1.12 -2.80 119.66 116.99 1i4v s GLN 100 Ca 0.14 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.89 1i4v s GLN 100 Cb -0.08 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.99 1i4v s GLN 100 CO 0.07 -0.00 0.00 1.28 -2.12 0.00 0.00 175.29 174.51 1i4v n LEU 101 N 4.02 0.00 0.03 2.90 4.77 -1.18 -1.85 117.00 125.68 1i4v n LEU 101 Ca -0.20 -0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.56 1i4v n LEU 101 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1i4v n LEU 101 CO 0.25 0.00 0.17 0.03 -1.33 0.00 0.00 177.39 176.51 1i4v h ARG 102 N 0.00 -0.18 0.10 3.23 -0.00 -1.98 -3.36 114.38 112.19 1i4v h ARG 102 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.49 1i4v h ARG 102 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.01 1i4v h ARG 102 CO 0.00 0.05 -0.05 -1.00 0.00 0.00 0.00 179.97 178.97 1i4v h PRO 103 N -1.01 -0.13 -3.60 0.04 0.13 -2.02 -3.46 132.00 121.95 1i4v h PRO 103 Ca -0.02 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 1i4v h PRO 103 Cb 0.31 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 31.35 1i4v h PRO 103 CO 0.03 0.02 -0.18 0.99 -0.23 0.00 0.00 178.00 178.63 1i4v s THR 104 N -5.67 0.07 -0.62 1.56 2.01 -1.26 -5.11 115.64 106.63 1i4v s THR 104 Ca -0.14 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 60.66 1i4v s THR 104 Cb 0.05 -1.49 0.08 0.00 0.01 0.00 0.00 72.50 71.14 1i4v s THR 104 CO 0.65 -0.33 0.87 -0.69 -0.69 0.00 0.00 174.62 174.42 1i4v s VAL 105 N -3.88 4.50 -0.00 3.82 1.01 -1.26 -3.08 120.40 121.51 1i4v s VAL 105 Ca 0.09 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1i4v s VAL 105 Cb 0.02 -4.60 0.02 0.00 0.00 0.00 0.00 36.38 31.83 1i4v s VAL 105 CO -0.06 -1.30 0.31 0.00 0.00 0.00 0.00 175.10 174.05 1i4v s GLN 106 N 3.57 0.70 -0.08 2.72 -2.07 -0.77 -2.53 119.66 121.20 1i4v s GLN 106 Ca 0.19 -0.25 -0.06 0.00 -1.82 0.00 0.00 55.36 53.42 1i4v s GLN 106 Cb -0.19 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.06 1i4v s GLN 106 CO 0.10 -0.20 0.19 -1.17 -1.32 0.00 0.00 175.29 172.89 1i4v s LEU 107 N -1.47 1.11 -0.41 2.60 2.96 -1.10 -2.81 118.68 119.56 1i4v s LEU 107 Ca -0.12 0.39 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1i4v s LEU 107 Cb -0.04 0.64 0.19 0.00 0.50 0.00 0.00 46.19 47.47 1i4v s LEU 107 CO 0.03 -0.09 0.40 0.00 -1.32 0.00 0.00 176.35 175.37 1i4v n ILE 108 N 3.26 -1.05 0.00 6.68 0.13 -1.26 -2.73 119.36 124.39 1i4v n ILE 108 Ca -0.16 -3.39 0.00 0.00 -1.10 0.00 0.00 62.75 58.11 1i4v n ILE 108 Cb 0.57 -1.54 0.00 0.00 -0.84 0.00 0.00 39.64 37.84 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 2.55 1.96 -0.78 9.51 -0.05 -1.26 -4.77 135.00 142.16 1i4v n PRO 109 Ca 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.72 1i4v n PRO 109 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.95 1i4v n PRO 109 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 175.50 174.12 1i4v n MET 110 N 0.00 -2.10 0.00 0.54 2.81 -1.26 -4.28 117.12 112.83 1i4v n MET 110 Ca 0.00 1.62 0.00 0.00 -1.81 0.00 0.00 57.70 57.51 1i4v n MET 110 Cb 0.00 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 30.54 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 -1.80 0.00 0.07 7.83 4.05 0.12 -4.58 115.26 120.95 1i4v n ASN 111 Ca 0.00 0.00 -0.17 0.00 0.45 0.00 0.00 54.58 54.86 1i4v n ASN 111 Cb 0.18 -0.43 -0.14 0.00 1.23 0.00 0.00 39.78 40.63 1i4v n ASN 111 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1i4v h SER 112 N 0.00 0.42 -1.08 1.20 4.64 -1.80 -3.34 113.55 113.59 1i4v h SER 112 Ca 0.00 -0.55 -0.65 0.00 -0.47 0.00 0.00 61.79 60.12 1i4v h SER 112 Cb 0.00 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 61.82 1i4v h SER 112 CO 0.00 1.46 1.72 0.00 -0.87 0.00 0.00 176.83 179.13 1i4v n ALA 113 N -2.66 6.70 -1.81 5.18 0.00 -1.26 -4.97 120.51 121.69 1i4v n ALA 113 Ca -0.16 -3.69 -0.42 0.00 0.00 0.00 0.00 53.44 49.18 1i4v n ALA 113 Cb 1.04 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.24 2.18 -0.45 0.00 1.13 -1.26 -4.74 117.35 112.97 1i4v s TYR 114 Ca 0.56 0.09 0.03 0.00 -1.41 0.00 0.00 57.07 56.34 1i4v s TYR 114 Cb 0.25 -4.08 0.16 0.00 -1.10 0.00 0.00 41.96 37.18 1i4v s TYR 114 CO -0.14 -4.46 0.31 -1.12 -2.51 0.00 0.00 175.55 167.64 1i4v s SER 115 N 2.75 2.85 0.16 -0.18 0.01 -1.26 -5.10 113.70 112.94 1i4v s SER 115 Ca 0.78 -2.91 -0.32 0.00 1.31 0.00 0.00 55.95 54.81 1i4v s SER 115 Cb -0.43 -0.78 -0.12 0.00 0.21 0.00 0.00 66.02 64.90 1i4v s SER 115 CO 0.35 -0.21 1.72 -2.65 0.41 0.00 0.00 173.24 172.86 1i4v n PRO 116 N 3.12 2.59 -3.86 12.44 -0.01 -1.26 -4.74 135.00 143.28 1i4v n PRO 116 Ca 0.19 0.94 -0.13 0.00 -0.01 0.00 0.00 63.50 64.49 1i4v n PRO 116 Cb 0.40 -2.78 -0.15 0.00 -0.01 0.00 0.00 33.50 30.97 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 1.61 0.01 0.52 4.25 1.10 -1.10 -5.04 121.20 122.55 1i4v s ILE 117 Ca 0.78 0.06 -0.06 0.00 -0.51 0.00 0.00 60.65 60.92 1i4v s ILE 117 Cb -0.55 -0.07 -0.03 0.00 0.15 0.00 0.00 42.46 41.96 1i4v s ILE 117 CO 0.36 0.04 0.85 0.28 -2.11 0.00 0.00 174.94 174.36 1i4v s THR 118 N 0.38 4.66 0.40 4.00 -1.32 -1.26 -2.70 115.64 119.80 1i4v s THR 118 Ca -0.03 0.29 0.07 0.00 -1.21 0.00 0.00 61.69 60.81 1i4v s THR 118 Cb -0.05 -3.80 -0.08 0.00 -1.51 0.00 0.00 72.50 67.07 1i4v s THR 118 CO -0.01 -0.84 0.01 -0.63 -2.21 0.00 0.00 174.62 170.95 1i4v s ILE 119 N -2.86 2.06 0.00 5.08 1.01 -1.05 -4.93 121.20 120.51 1i4v s ILE 119 Ca 0.50 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 59.16 1i4v s ILE 119 Cb -0.10 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1i4v s ILE 119 CO 0.47 -0.02 0.00 -0.24 0.00 0.00 0.00 174.94 175.14 1i4v n SER 120 N -0.98 0.00 -3.51 3.58 2.88 -1.26 -4.63 113.62 109.70 1i4v n SER 120 Ca -0.05 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.12 1i4v n SER 120 Cb 0.66 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.09 1i4v n SER 120 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1i4v n SER 121 N 0.00 4.30 -3.54 -3.46 7.64 -1.26 -4.45 113.62 112.85 1i4v n SER 121 Ca 0.00 -2.63 -0.26 0.00 1.01 0.00 0.00 58.87 57.00 1i4v n SER 121 Cb 0.00 -1.32 0.05 0.00 -1.01 0.00 0.00 64.21 61.93 1i4v n SER 121 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1i4v n GLU 122 N 5.65 -1.49 0.00 1.43 2.13 -1.26 -4.95 120.64 122.15 1i4v n GLU 122 Ca 0.53 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.98 1i4v n GLU 122 Cb 0.31 -4.60 0.00 0.00 0.27 0.00 0.00 31.44 27.43 1i4v n GLU 122 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1i4v n ASP 123 N -2.77 0.00 -3.17 4.31 2.03 -1.26 -4.80 116.55 110.88 1i4v n ASP 123 Ca -0.09 0.51 -0.18 0.00 0.52 0.00 0.00 54.79 55.55 1i4v n ASP 123 Cb 0.60 -0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 40.71 1i4v n ASP 123 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1i4v s THR 124 N -1.27 -0.22 -0.30 5.18 2.01 -1.26 -5.09 115.64 114.69 1i4v s THR 124 Ca 0.00 -1.85 0.02 0.00 0.31 0.00 0.00 61.69 60.17 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 -0.72 0.03 -0.76 -0.69 0.00 0.00 174.62 172.48 1i4v s LEU 125 N 0.53 3.53 0.02 4.42 2.01 -1.26 -4.15 118.68 123.78 1i4v s LEU 125 Ca 0.30 -1.75 -0.11 0.00 0.01 0.00 0.00 54.13 52.58 1i4v s LEU 125 Cb -0.00 -1.33 0.01 0.00 0.01 0.00 0.00 46.19 44.88 1i4v s LEU 125 CO -0.12 -0.34 0.22 -0.62 1.01 0.00 0.00 176.35 176.49 1i4v s ASP 126 N 1.21 -0.04 0.58 2.29 2.15 -1.12 -4.96 116.67 116.79 1i4v s ASP 126 Ca 0.06 -0.21 -0.17 0.00 0.43 0.00 0.00 52.55 52.66 1i4v s ASP 126 Cb -0.19 0.28 -0.04 0.00 -0.30 0.00 0.00 42.92 42.68 1i4v s ASP 126 CO -0.12 -0.50 1.08 -0.69 -0.17 0.00 0.00 175.17 174.78 1i4v s VAL 127 N -2.02 3.53 -0.10 1.11 1.01 -1.26 -0.80 120.40 121.87 1i4v s VAL 127 Ca -0.09 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1i4v s VAL 127 Cb -0.03 -3.30 -0.26 0.00 0.00 0.00 0.00 36.38 32.78 1i4v s VAL 127 CO -0.01 -0.35 0.46 0.15 0.00 0.00 0.00 175.10 175.34 1i4v h PHE 128 N 0.66 0.43 -0.20 5.22 3.57 -1.43 -3.45 116.94 121.74 1i4v h PHE 128 Ca -0.48 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 60.71 1i4v h PHE 128 Cb 1.24 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1i4v h PHE 128 CO 0.56 1.64 0.00 0.41 -2.23 0.00 0.00 178.31 178.69 1i4v n GLY 129 N 1.91 5.18 0.46 2.40 0.00 -1.26 -3.36 105.19 110.52 1i4v n GLY 129 Ca -0.28 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.54 1.61 3.14 -0.81 -2.60 118.33 116.13 1i4v n VAL 130 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 1i4v n VAL 130 Cb 0.00 0.19 -0.02 0.00 -1.06 0.00 0.00 33.84 32.95 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 -0.40 1.55 0.11 -1.26 -4.82 120.40 115.59 1i4v s VAL 131 Ca 0.00 -0.10 0.08 0.00 -2.93 0.00 0.00 61.98 59.03 1i4v s VAL 131 Cb 0.00 -1.16 0.25 0.00 -1.53 0.00 0.00 36.38 33.94 1i4v s VAL 131 CO 0.00 0.00 0.54 -0.38 -3.33 0.00 0.00 175.10 171.93 1i4v n ILE 132 N -0.27 -0.66 -2.09 7.04 2.08 -1.25 -3.51 119.36 120.70 1i4v n ILE 132 Ca -0.08 -3.86 -0.40 0.00 0.56 0.00 0.00 62.75 58.97 1i4v n ILE 132 Cb 0.61 -1.76 -0.01 0.00 -0.75 0.00 0.00 39.64 37.73 1i4v n ILE 132 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1i4v s HIS 133 N -1.06 2.93 -0.14 1.39 2.46 0.26 -4.68 115.29 116.44 1i4v s HIS 133 Ca 0.35 1.41 -0.00 0.00 0.47 0.00 0.00 55.06 57.29 1i4v s HIS 133 Cb 0.17 -3.67 -0.01 0.00 -0.13 0.00 0.00 32.58 28.94 1i4v s HIS 133 CO -0.12 -1.97 -0.13 0.08 -2.47 0.00 0.00 174.74 170.14 1i4v s VAL 134 N -1.21 3.01 -0.60 0.89 1.01 -1.26 0.12 120.40 122.36 1i4v s VAL 134 Ca 0.53 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 1i4v s VAL 134 Cb -0.39 -2.28 0.15 0.00 0.00 0.00 0.00 36.38 33.87 1i4v s VAL 134 CO 0.50 0.51 0.54 -0.69 0.00 0.00 0.00 175.10 175.97 1i4v s VAL 135 N 0.56 5.12 -0.56 2.92 1.01 -0.39 -4.89 120.40 124.18 1i4v s VAL 135 Ca -0.08 -1.82 -0.22 0.00 0.00 0.00 0.00 61.98 59.86 1i4v s VAL 135 Cb -0.16 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.01 1i4v s VAL 135 CO 0.03 -0.90 0.83 -0.75 0.00 0.00 0.00 175.10 174.32 1i4v s LYS 136 N 1.17 3.21 -0.24 2.72 2.47 -1.26 -2.60 119.74 125.21 1i4v s LYS 136 Ca 0.07 -0.63 -0.28 0.00 -1.56 0.00 0.00 55.97 53.57 1i4v s LYS 136 Cb -0.24 -4.11 -0.04 0.00 -1.46 0.00 0.00 37.83 31.97 1i4v s LYS 136 CO -0.01 -1.46 2.15 0.00 0.16 0.00 0.00 175.35 176.19 1i4v s ALA 137 N 3.46 2.74 -0.41 3.13 0.00 -1.26 -4.93 121.76 124.49 1i4v s ALA 137 Ca 0.23 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 52.81 1i4v s ALA 137 Cb -0.16 -4.07 0.10 0.00 0.00 0.00 0.00 23.12 18.99 1i4v s ALA 137 CO 0.14 -2.79 0.22 1.41 0.00 0.00 0.00 175.76 174.74 1i4v s MET 138 N 6.25 2.28 0.00 0.00 1.75 -1.26 -5.12 119.30 123.21 1i4v s MET 138 Ca 0.97 -1.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.75 1i4v s MET 138 Cb -0.31 -3.65 0.00 0.00 2.84 0.00 0.00 34.83 33.72 1i4v s MET 138 CO 0.35 -1.01 0.00 2.89 -0.65 0.00 0.00 175.02 176.60