#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 -3.13 -0.63 0.00 3.72 -1.26 -4.93 117.46 111.24 1i4v n PHE 26 Ca 0.00 1.27 -0.29 0.00 -0.05 0.00 0.00 57.45 58.37 1i4v n PHE 26 Cb 0.00 -3.38 0.22 0.00 -0.94 0.00 0.00 39.48 35.38 1i4v n PHE 26 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1i4v s PRO 27 N -2.76 -0.21 0.11 -1.08 0.02 -1.26 -4.93 135.00 124.89 1i4v s PRO 27 Ca 0.24 1.06 -0.27 0.00 0.02 0.00 0.00 61.00 62.05 1i4v s PRO 27 Cb -0.05 -1.62 -0.09 0.00 0.02 0.00 0.00 34.50 32.76 1i4v s PRO 27 CO 0.81 -3.31 1.64 1.03 -0.33 0.00 0.00 177.00 176.83 1i4v h SER 28 N -2.34 -0.71 -2.22 2.53 0.87 -2.10 -3.39 113.55 106.19 1i4v h SER 28 Ca -0.55 0.08 -0.57 0.00 -1.23 0.00 0.00 61.79 59.52 1i4v h SER 28 Cb 1.31 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1i4v h SER 28 CO 0.48 -0.35 1.36 -2.16 -0.53 0.00 0.00 176.83 175.63 1i4v s PRO 29 N -6.06 3.57 -0.32 2.24 0.04 -1.26 -4.94 135.00 128.26 1i4v s PRO 29 Ca -0.16 2.19 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 1i4v s PRO 29 Cb 0.07 -4.26 0.11 0.00 0.04 0.00 0.00 34.50 30.46 1i4v s PRO 29 CO 0.65 -1.61 0.13 0.00 0.04 0.00 0.00 177.00 176.21 1i4v s ALA 30 N 6.58 1.26 -0.23 8.56 0.00 -1.26 -5.08 121.76 131.58 1i4v s ALA 30 Ca 0.93 -1.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 1i4v s ALA 30 Cb -0.35 -1.57 -0.06 0.00 0.00 0.00 0.00 23.12 21.14 1i4v s ALA 30 CO 0.37 -1.74 2.23 0.00 0.00 0.00 0.00 175.76 176.62 1i4v n ALA 31 N 4.78 1.74 -1.56 0.00 0.00 -1.26 -4.85 120.51 119.37 1i4v n ALA 31 Ca -0.01 -0.24 -0.44 0.00 0.00 0.00 0.00 53.44 52.75 1i4v n ALA 31 Cb 0.41 -2.90 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 1i4v n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1i4v n ASP 32 N 11.62 2.87 -2.61 0.00 -0.08 -1.26 -4.71 116.55 122.37 1i4v n ASP 32 Ca 0.31 0.16 -0.05 0.00 -1.51 0.00 0.00 54.79 53.70 1i4v n ASP 32 Cb 0.43 -1.49 0.10 0.00 2.34 0.00 0.00 41.12 42.50 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 11.83 -1.91 -3.83 -0.67 9.36 -1.26 -5.11 117.16 125.56 1i4v n TYR 33 Ca 0.34 -1.57 -0.36 0.00 3.32 0.00 0.00 57.90 59.63 1i4v n TYR 33 Cb 0.41 1.47 -0.13 0.00 -0.63 0.00 0.00 39.34 40.46 1i4v n TYR 33 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1i4v s VAL 34 N 0.14 3.72 0.75 2.97 1.01 -1.26 -5.10 120.40 122.63 1i4v s VAL 34 Ca 0.14 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1i4v s VAL 34 Cb 0.34 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1i4v s VAL 34 CO -0.08 0.28 1.12 -0.70 0.00 0.00 0.00 175.10 175.72 1i4v s GLU 35 N 1.50 2.47 0.00 2.72 2.12 -1.26 -5.09 118.70 121.17 1i4v s GLU 35 Ca 0.04 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.66 1i4v s GLU 35 Cb -0.16 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 32.23 1i4v s GLU 35 CO -0.00 -1.26 0.00 0.94 -0.54 0.00 0.00 175.26 174.40 1i4v n GLN 36 N -3.12 3.75 -3.03 4.30 7.27 -1.26 -5.15 117.38 120.14 1i4v n GLN 36 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.05 1i4v n GLN 36 Cb 0.59 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.20 1i4v n GLN 36 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1i4v n ARG 37 N 0.00 0.23 -2.83 3.69 1.74 -1.26 -5.10 116.66 113.13 1i4v n ARG 37 Ca 0.00 -1.59 -0.43 0.00 -0.77 0.00 0.00 57.85 55.07 1i4v n ARG 37 Cb 0.00 1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 32.74 1i4v n ARG 37 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1i4v s ILE 38 N -2.65 4.33 -0.44 0.55 -1.09 -1.26 -4.90 121.20 115.74 1i4v s ILE 38 Ca 0.19 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.70 1i4v s ILE 38 Cb 0.01 -4.60 0.23 0.00 -1.58 0.00 0.00 42.46 36.52 1i4v s ILE 38 CO 0.13 -1.25 2.20 -0.67 -1.23 0.00 0.00 174.94 174.12 1i4v n ASP 39 N 7.64 6.76 -0.33 3.58 -0.08 -1.26 -4.67 116.55 128.19 1i4v n ASP 39 Ca 0.00 -3.27 0.21 0.00 -1.51 0.00 0.00 54.79 50.22 1i4v n ASP 39 Cb 0.47 -1.08 0.43 0.00 2.34 0.00 0.00 41.12 43.27 1i4v n ASP 39 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1i4v h LEU 40 N 2.77 0.46 -1.72 -2.67 8.10 -1.97 1.14 115.31 121.43 1i4v h LEU 40 Ca 0.39 0.18 0.03 0.00 0.11 0.00 0.00 57.88 58.59 1i4v h LEU 40 Cb 0.80 0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 41.14 1i4v h LEU 40 CO 0.98 -0.09 0.25 -0.55 -4.11 0.00 0.00 178.44 174.92 1i4v h ASN 41 N 0.36 0.32 0.40 0.17 -1.07 -1.91 0.40 115.58 114.25 1i4v h ASN 41 Ca 0.69 -0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.74 1i4v h ASN 41 Cb 1.49 -0.07 -0.05 0.00 -2.07 0.00 0.00 38.32 37.62 1i4v h ASN 41 CO -0.59 0.22 -1.81 1.67 0.07 0.00 0.00 177.43 176.99 1i4v n GLN 42 N -4.48 0.65 0.08 4.14 -0.06 0.35 -2.41 117.38 115.66 1i4v n GLN 42 Ca 0.04 0.27 -0.16 0.00 -2.00 0.00 0.00 57.00 55.14 1i4v n GLN 42 Cb 0.17 -1.76 -0.14 0.00 -4.06 0.00 0.00 30.24 24.45 1i4v n GLN 42 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1i4v h LEU 43 N 0.01 0.41 0.03 1.69 8.10 0.07 -3.37 115.31 122.25 1i4v h LEU 43 Ca -0.33 -0.51 -0.33 0.00 0.11 0.00 0.00 57.88 56.83 1i4v h LEU 43 Cb 2.04 -0.13 -0.05 0.00 -0.44 0.00 0.00 40.66 42.07 1i4v h LEU 43 CO 0.07 1.41 -1.94 0.18 -4.11 0.00 0.00 178.44 174.05 1i4v n LEU 44 N -3.49 1.24 -4.60 0.17 4.32 0.14 -4.96 117.00 109.81 1i4v n LEU 44 Ca -0.13 0.26 -0.27 0.00 -0.02 0.00 0.00 56.01 55.85 1i4v n LEU 44 Cb 1.04 -0.12 -0.11 0.00 -1.62 0.00 0.00 43.42 42.61 1i4v n LEU 44 CO 0.52 0.54 -0.29 -0.63 -1.22 0.00 0.00 177.39 176.32 1i4v s ILE 45 N -2.57 1.85 0.00 -0.08 1.01 -1.01 -5.06 121.20 115.35 1i4v s ILE 45 Ca -0.11 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.54 1i4v s ILE 45 Cb 0.07 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1i4v s ILE 45 CO 0.80 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.74 1i4v n GLN 46 N -0.95 1.62 -3.41 2.79 1.13 -1.26 -4.06 117.38 113.25 1i4v n GLN 46 Ca -0.05 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.65 1i4v n GLN 46 Cb 0.67 -0.88 -0.06 0.00 0.11 0.00 0.00 30.24 30.09 1i4v n GLN 46 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1i4v s HIS 47 N -1.75 3.64 0.28 1.08 3.76 -1.26 -4.98 115.29 116.06 1i4v s HIS 47 Ca 0.00 1.02 -0.00 0.00 -0.15 0.00 0.00 55.06 55.92 1i4v s HIS 47 Cb 0.00 -2.33 0.42 0.00 1.11 0.00 0.00 32.58 31.78 1i4v s HIS 47 CO 0.00 0.49 1.82 -1.00 -0.85 0.00 0.00 174.74 175.19 1i4v h PRO 48 N 3.81 0.77 -0.13 8.40 0.14 -1.96 -3.37 132.00 139.66 1i4v h PRO 48 Ca -0.49 -0.17 -0.20 0.00 0.14 0.00 0.00 66.00 65.28 1i4v h PRO 48 Cb 1.20 -0.11 -0.20 0.00 0.14 0.00 0.00 31.00 32.03 1i4v h PRO 48 CO 0.65 0.73 -0.48 0.45 0.14 0.00 0.00 178.00 179.49 1i4v n SER 49 N -4.26 -0.90 -1.78 1.44 2.88 -1.26 -4.94 113.62 104.80 1i4v n SER 49 Ca 0.03 -2.26 -0.04 0.00 -1.33 0.00 0.00 58.87 55.27 1i4v n SER 49 Cb 0.25 0.50 0.07 0.00 -0.75 0.00 0.00 64.21 64.28 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 -1.13 3.42 -3.73 -1.46 0.00 -1.26 -5.03 120.51 111.32 1i4v n ALA 50 Ca -0.09 -3.06 -0.22 0.00 0.00 0.00 0.00 53.44 50.06 1i4v n ALA 50 Cb 0.86 -0.58 -0.17 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.97 0.57 0.13 0.00 2.01 -1.26 -1.49 115.64 112.62 1i4v s THR 51 Ca 0.38 -0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 1i4v s THR 51 Cb 0.37 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 72.19 1i4v s THR 51 CO -0.06 0.27 0.32 -0.31 -0.69 0.00 0.00 174.62 174.15 1i4v s TYR 52 N 1.49 3.49 0.09 4.92 2.02 0.37 -4.76 117.35 124.97 1i4v s TYR 52 Ca -0.02 0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 57.00 1i4v s TYR 52 Cb -0.13 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1i4v s TYR 52 CO -0.03 0.48 0.09 -0.59 -1.57 0.00 0.00 175.55 173.93 1i4v s PHE 53 N -1.68 0.45 -0.22 2.71 -0.12 -1.26 0.13 117.98 117.99 1i4v s PHE 53 Ca 0.38 -0.90 -0.14 0.00 -0.05 0.00 0.00 56.93 56.21 1i4v s PHE 53 Cb -0.12 -0.26 0.06 0.00 -0.63 0.00 0.00 43.02 42.08 1i4v s PHE 53 CO 0.27 -0.50 0.55 0.54 -0.05 0.00 0.00 175.22 176.03 1i4v s VAL 54 N -3.93 -0.01 0.18 -2.49 0.11 -1.09 -4.95 120.40 108.22 1i4v s VAL 54 Ca 0.11 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 58.89 1i4v s VAL 54 Cb 0.06 -0.79 -0.08 0.00 -1.53 0.00 0.00 36.38 34.04 1i4v s VAL 54 CO -0.07 0.01 1.21 -0.75 -3.33 0.00 0.00 175.10 172.17 1i4v s LYS 55 N 1.17 4.48 -0.45 1.54 2.36 -1.26 -1.90 119.74 125.69 1i4v s LYS 55 Ca -0.07 1.88 -0.23 0.00 -2.55 0.00 0.00 55.97 55.01 1i4v s LYS 55 Cb -0.06 -3.24 0.02 0.00 -1.05 0.00 0.00 37.83 33.50 1i4v s LYS 55 CO -0.11 -0.11 0.77 0.00 1.55 0.00 0.00 175.35 177.44 1i4v s ALA 56 N 0.01 3.30 -0.35 3.13 0.00 -0.81 -4.90 121.76 122.14 1i4v s ALA 56 Ca 0.53 -1.02 0.15 0.00 0.00 0.00 0.00 51.96 51.62 1i4v s ALA 56 Cb -0.33 -3.45 0.44 0.00 0.00 0.00 0.00 23.12 19.79 1i4v s ALA 56 CO 0.36 -1.90 0.96 0.45 0.00 0.00 0.00 175.76 175.64 1i4v n SER 57 N 6.65 2.01 0.00 0.00 2.88 -1.26 -2.30 113.62 121.60 1i4v n SER 57 Ca 0.02 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1i4v n SER 57 Cb 0.48 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.11 -0.80 0.91 0.46 0.00 -1.26 -4.81 105.19 99.58 1i4v n GLY 58 Ca 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 0.05 -0.59 1.61 5.68 -1.26 -0.95 116.55 121.09 1i4v n ASP 59 Ca 0.00 -1.79 0.12 0.00 -0.50 0.00 0.00 54.79 52.62 1i4v n ASP 59 Cb 0.00 -0.07 0.21 0.00 -1.14 0.00 0.00 41.12 40.12 1i4v n ASP 59 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1i4v n SER 60 N 0.15 2.04 -0.99 -1.12 7.64 -1.26 -4.31 113.62 115.76 1i4v n SER 60 Ca -0.05 -1.55 0.01 0.00 1.01 0.00 0.00 58.87 58.29 1i4v n SER 60 Cb 0.79 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 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 0.33 0.00 0.26 1.43 2.81 -1.26 -3.82 117.12 116.87 1i4v n MET 61 Ca 0.13 -1.38 0.18 0.00 -1.81 0.00 0.00 57.70 54.82 1i4v n MET 61 Cb 0.46 -0.16 0.91 0.00 -0.71 0.00 0.00 33.22 33.73 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 6.70 0.31 -0.38 2.02 2.04 -1.72 0.11 117.51 126.59 1i4v h ILE 62 Ca -0.15 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.82 1i4v h ILE 62 Cb 1.60 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1i4v h ILE 62 CO 0.02 0.00 0.47 -2.24 0.00 0.00 0.00 178.15 176.41 1i4v h ASP 63 N 0.00 0.00 0.14 1.72 3.04 -1.84 0.13 116.42 119.61 1i4v h ASP 63 Ca 0.05 0.00 -0.36 0.00 -3.24 0.00 0.00 57.03 53.48 1i4v h ASP 63 Cb 0.38 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.64 1i4v h ASP 63 CO -0.00 0.00 -2.08 0.61 -2.04 0.00 0.00 179.24 175.73 1i4v n GLY 64 N -1.46 -0.59 0.00 7.15 0.00 0.36 -4.76 105.19 105.89 1i4v n GLY 64 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1i4v n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4v n GLY 65 N 1.98 0.53 3.61 -0.02 0.00 0.47 -4.88 105.19 106.88 1i4v n GLY 65 Ca -0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 3.70 -0.48 -0.61 -5.25 -1.25 -4.90 121.20 112.40 1i4v s ILE 66 Ca 0.00 0.74 0.08 0.00 -0.99 0.00 0.00 60.65 60.48 1i4v s ILE 66 Cb 0.00 -3.85 0.29 0.00 2.95 0.00 0.00 42.46 41.85 1i4v s ILE 66 CO 0.00 -0.48 0.70 -0.24 -1.79 0.00 0.00 174.94 173.13 1i4v n SER 67 N 9.18 1.99 -3.10 4.36 2.88 -1.26 -2.93 113.62 124.74 1i4v n SER 67 Ca 0.19 -3.13 -0.14 0.00 -1.33 0.00 0.00 58.87 54.47 1i4v n SER 67 Cb 0.47 -0.63 0.01 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.73 -5.65 0.00 -3.46 2.03 -0.13 -4.69 116.55 105.39 1i4v n ASP 68 Ca 0.26 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.74 1i4v n ASP 68 Cb 0.50 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 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 0.71 0.90 3.71 0.27 0.00 -0.97 -4.89 105.19 104.91 1i4v n GLY 69 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.09 -0.06 -0.11 1.61 1.47 -1.25 -4.16 116.67 114.08 1i4v s ASP 70 Ca 0.00 -0.21 0.02 0.00 1.18 0.00 0.00 52.55 53.53 1i4v s ASP 70 Cb 0.00 0.22 0.01 0.00 -0.34 0.00 0.00 42.92 42.82 1i4v s ASP 70 CO 0.00 -0.42 -0.16 -0.22 0.68 0.00 0.00 175.17 175.05 1i4v s LEU 71 N -3.13 1.79 0.23 2.11 1.98 0.28 -1.93 118.68 120.01 1i4v s LEU 71 Ca 0.17 -0.46 -0.10 0.00 -2.89 0.00 0.00 54.13 50.85 1i4v s LEU 71 Cb 0.03 -1.15 -0.07 0.00 0.66 0.00 0.00 46.19 45.65 1i4v s LEU 71 CO -0.02 0.03 0.55 -0.22 -1.89 0.00 0.00 176.35 174.79 1i4v s LEU 72 N 0.94 4.17 -0.29 -0.68 0.20 -0.80 0.33 118.68 122.56 1i4v s LEU 72 Ca -0.07 0.92 -0.04 0.00 0.69 0.00 0.00 54.13 55.63 1i4v s LEU 72 Cb -0.15 -3.67 0.10 0.00 -0.43 0.00 0.00 46.19 42.04 1i4v s LEU 72 CO -0.01 -0.07 0.15 -0.63 -0.29 0.00 0.00 176.35 175.50 1i4v s ILE 73 N -1.81 -0.10 0.01 6.68 -1.09 -0.11 -2.67 121.20 122.11 1i4v s ILE 73 Ca 0.47 -0.73 -0.03 0.00 -2.23 0.00 0.00 60.65 58.13 1i4v s ILE 73 Cb -0.11 -0.98 -0.04 0.00 -1.58 0.00 0.00 42.46 39.75 1i4v s ILE 73 CO 0.21 -0.70 0.20 0.54 -1.23 0.00 0.00 174.94 173.96 1i4v s VAL 74 N 2.13 5.41 -0.54 2.92 0.11 0.36 0.14 120.40 130.92 1i4v s VAL 74 Ca 0.09 -0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 58.85 1i4v s VAL 74 Cb -0.16 -3.56 0.13 0.00 -1.53 0.00 0.00 36.38 31.27 1i4v s VAL 74 CO -0.36 0.29 0.47 -1.81 -3.33 0.00 0.00 175.10 170.35 1i4v s ASP 75 N -2.02 6.04 -0.66 3.54 1.11 -1.00 0.14 116.67 123.81 1i4v s ASP 75 Ca 0.29 -1.94 -0.25 0.00 0.18 0.00 0.00 52.55 50.83 1i4v s ASP 75 Cb -0.13 -2.13 0.05 0.00 1.07 0.00 0.00 42.92 41.78 1i4v s ASP 75 CO 0.20 -0.77 1.10 -0.94 1.18 0.00 0.00 175.17 175.95 1i4v s SER 76 N 3.08 6.23 0.00 0.27 1.04 -0.56 -1.53 113.70 122.23 1i4v s SER 76 Ca 0.06 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1i4v s SER 76 Cb -0.27 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1i4v s SER 76 CO 0.01 -1.56 0.00 0.00 0.98 0.00 0.00 173.24 172.67 1i4v n ALA 77 N 8.36 0.00 -2.49 5.32 0.00 -1.11 -4.09 120.51 126.50 1i4v n ALA 77 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1i4v n ALA 77 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.08 2.52 -0.36 0.00 1.01 -1.26 -5.00 121.20 117.04 1i4v s ILE 78 Ca 0.00 -1.78 -0.13 0.00 0.00 0.00 0.00 60.65 58.74 1i4v s ILE 78 Cb 0.00 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 1i4v s ILE 78 CO 0.00 -0.09 0.25 -0.89 0.00 0.00 0.00 174.94 174.21 1i4v s THR 79 N -2.55 5.20 0.00 2.92 2.01 -1.26 -3.27 115.64 118.69 1i4v s THR 79 Ca 0.38 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1i4v s THR 79 Cb 0.02 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1i4v s THR 79 CO 0.22 -0.09 0.00 0.00 -0.69 0.00 0.00 174.62 174.05 1i4v n ALA 80 N 5.11 0.00 -2.96 7.40 0.00 -0.88 -4.92 120.51 124.26 1i4v n ALA 80 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1i4v n ALA 80 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.89 0.33 0.38 0.00 0.01 -1.26 -5.03 113.70 106.24 1i4v s SER 81 Ca 0.00 -0.49 -0.26 0.00 1.31 0.00 0.00 55.95 56.50 1i4v s SER 81 Cb 0.00 0.09 -0.11 0.00 0.21 0.00 0.00 66.02 66.21 1i4v s SER 81 CO 0.00 -0.28 1.19 1.41 0.41 0.00 0.00 173.24 175.98 1i4v n HIS 82 N 1.62 1.88 -1.74 2.43 8.25 -1.26 -3.07 115.22 123.33 1i4v n HIS 82 Ca -0.24 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1i4v n HIS 82 Cb 0.55 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.32 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 0.92 0.93 3.18 -1.41 0.00 -1.18 -4.99 105.19 102.65 1i4v n GLY 83 Ca 0.07 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.73 -0.27 -1.07 1.61 1.01 -1.17 -4.98 116.67 109.07 1i4v s ASP 84 Ca 0.00 0.47 -0.25 0.00 0.71 0.00 0.00 52.55 53.48 1i4v s ASP 84 Cb 0.00 0.53 -0.15 0.00 1.01 0.00 0.00 42.92 44.31 1i4v s ASP 84 CO 0.00 -0.17 2.08 -0.51 0.21 0.00 0.00 175.17 176.78 1i4v s ILE 85 N -0.15 3.24 0.33 0.77 2.07 -1.26 -3.64 121.20 122.55 1i4v s ILE 85 Ca -0.03 -0.36 0.07 0.00 -1.41 0.00 0.00 60.65 58.92 1i4v s ILE 85 Cb -0.03 -4.07 -0.06 0.00 0.13 0.00 0.00 42.46 38.43 1i4v s ILE 85 CO 0.01 -0.44 -0.03 0.68 -1.91 0.00 0.00 174.94 173.24 1i4v s VAL 86 N 14.17 1.75 -0.21 4.00 -7.23 -1.18 -4.39 120.40 127.30 1i4v s VAL 86 Ca 0.77 -2.09 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 1i4v s VAL 86 Cb -0.05 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1i4v s VAL 86 CO 0.14 -0.17 0.33 -0.51 -0.31 0.00 0.00 175.10 174.58 1i4v s ILE 87 N -2.93 5.24 0.58 -0.62 1.10 -1.26 -2.67 121.20 120.64 1i4v s ILE 87 Ca 0.32 0.56 -0.02 0.00 -0.51 0.00 0.00 60.65 61.00 1i4v s ILE 87 Cb 0.06 -3.66 0.03 0.00 0.15 0.00 0.00 42.46 39.03 1i4v s ILE 87 CO 0.15 0.28 0.84 0.00 -2.11 0.00 0.00 174.94 174.09 1i4v s ALA 88 N 1.24 3.56 -0.17 1.50 0.00 -1.09 -1.18 121.76 125.62 1i4v s ALA 88 Ca 0.16 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1i4v s ALA 88 Cb -0.14 -2.33 0.05 0.00 0.00 0.00 0.00 23.12 20.70 1i4v s ALA 88 CO 0.07 -0.82 0.44 0.00 0.00 0.00 0.00 175.76 175.44 1i4v s ALA 89 N -2.89 -1.10 -0.20 0.00 0.00 0.24 -2.62 121.76 115.18 1i4v s ALA 89 Ca 0.55 1.44 -0.07 0.00 0.00 0.00 0.00 51.96 53.88 1i4v s ALA 89 Cb -0.10 -0.86 0.09 0.00 0.00 0.00 0.00 23.12 22.25 1i4v s ALA 89 CO 0.41 -0.24 0.44 0.54 0.00 0.00 0.00 175.76 176.90 1i4v s VAL 90 N 0.88 -0.64 -1.27 0.00 0.11 -1.24 -2.88 120.40 115.36 1i4v s VAL 90 Ca -0.05 0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1i4v s VAL 90 Cb -0.06 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1i4v s VAL 90 CO -0.07 0.06 0.05 0.47 -3.33 0.00 0.00 175.10 172.28 1i4v n ASP 91 N 5.34 -4.49 -0.08 3.54 8.00 -1.26 -1.64 116.55 125.95 1i4v n ASP 91 Ca -0.09 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1i4v n ASP 91 Cb 0.50 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 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 -0.90 1.16 3.76 0.44 0.00 -1.26 -5.09 105.19 103.29 1i4v n GLY 92 Ca -0.16 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.38 2.47 -0.26 1.61 2.02 -0.65 -5.12 118.70 116.38 1i4v s GLU 93 Ca 0.00 -1.48 -0.01 0.00 0.02 0.00 0.00 54.97 53.50 1i4v s GLU 93 Cb 0.00 -2.25 0.14 0.00 0.10 0.00 0.00 34.13 32.11 1i4v s GLU 93 CO 0.00 0.11 0.36 -0.06 0.02 0.00 0.00 175.26 175.69 1i4v s PHE 94 N -2.39 -0.77 0.40 1.61 0.08 -1.25 -3.62 117.98 112.04 1i4v s PHE 94 Ca 0.38 0.47 0.08 0.00 0.12 0.00 0.00 56.93 57.98 1i4v s PHE 94 Cb -0.03 -0.14 -0.01 0.00 -0.57 0.00 0.00 43.02 42.26 1i4v s PHE 94 CO 0.24 -0.82 0.42 0.95 -0.10 0.00 0.00 175.22 175.90 1i4v s THR 95 N 2.50 2.96 -0.36 0.64 -4.23 -1.08 -4.90 115.64 111.17 1i4v s THR 95 Ca 0.11 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1i4v s THR 95 Cb -0.14 -3.05 0.12 0.00 1.34 0.00 0.00 72.50 70.77 1i4v s THR 95 CO -0.22 -0.04 0.18 -0.69 -0.54 0.00 0.00 174.62 173.30 1i4v s VAL 96 N -2.40 0.79 0.00 2.29 1.01 -1.26 -2.66 120.40 118.17 1i4v s VAL 96 Ca 0.48 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1i4v s VAL 96 Cb -0.06 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1i4v s VAL 96 CO 0.29 -0.83 0.00 1.17 0.00 0.00 0.00 175.10 175.73 1i4v n LYS 97 N 4.24 -1.99 -2.75 2.72 0.00 -1.09 -4.18 118.16 115.12 1i4v n LYS 97 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.93 1i4v n LYS 97 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.38 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 3.32 0.09 1.64 1.02 -1.24 -3.13 119.74 119.44 1i4v s LYS 98 Ca 0.00 -0.95 -0.07 0.00 0.02 0.00 0.00 55.97 54.97 1i4v s LYS 98 Cb 0.00 -4.57 -0.05 0.00 -0.52 0.00 0.00 37.83 32.69 1i4v s LYS 98 CO 0.00 -1.95 0.36 -0.48 -0.92 0.00 0.00 175.35 172.35 1i4v s LEU 99 N 4.31 4.32 -0.07 3.17 2.34 -1.26 -4.55 118.68 126.94 1i4v s LEU 99 Ca 0.32 0.64 0.06 0.00 0.06 0.00 0.00 54.13 55.20 1i4v s LEU 99 Cb -0.09 -3.05 -0.01 0.00 -0.56 0.00 0.00 46.19 42.47 1i4v s LEU 99 CO 0.03 0.14 -0.24 -1.10 -1.06 0.00 0.00 176.35 174.12 1i4v s GLN 100 N -2.21 2.65 0.00 1.48 -0.21 -1.09 -3.08 119.66 117.20 1i4v s GLN 100 Ca 0.35 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.84 1i4v s GLN 100 Cb -0.13 -2.20 0.00 0.00 1.00 0.00 0.00 33.01 31.68 1i4v s GLN 100 CO 0.21 0.35 0.02 1.28 -2.12 0.00 0.00 175.29 175.03 1i4v n LEU 101 N 3.03 0.05 -0.05 2.90 4.77 -1.20 -2.10 117.00 124.40 1i4v n LEU 101 Ca -0.18 -0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 55.53 1i4v n LEU 101 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1i4v n LEU 101 CO 0.26 0.01 -0.00 0.03 -1.33 0.00 0.00 177.39 176.36 1i4v h ARG 102 N 0.00 0.00 0.30 3.23 -0.00 -2.00 -3.39 114.38 112.53 1i4v h ARG 102 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1i4v h ARG 102 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.00 1i4v h ARG 102 CO 0.00 0.04 -0.14 -1.00 0.00 0.00 0.00 179.97 178.87 1i4v h PRO 103 N -1.00 -0.39 -3.66 0.04 0.13 -2.02 -3.46 132.00 121.63 1i4v h PRO 103 Ca -0.00 0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.09 1i4v h PRO 103 Cb 0.07 0.09 -0.11 0.00 0.13 0.00 0.00 31.00 31.18 1i4v h PRO 103 CO -0.00 -0.17 -0.17 0.99 -0.23 0.00 0.00 178.00 178.43 1i4v s THR 104 N -5.53 0.04 -0.63 1.56 2.01 -1.26 -5.11 115.64 106.72 1i4v s THR 104 Ca -0.15 -1.22 -0.21 0.00 0.31 0.00 0.00 61.69 60.42 1i4v s THR 104 Cb 0.04 -1.87 0.09 0.00 0.01 0.00 0.00 72.50 70.76 1i4v s THR 104 CO 0.61 -0.16 0.85 0.68 -0.69 0.00 0.00 174.62 175.91 1i4v s VAL 105 N -3.96 4.54 -0.01 3.82 -7.23 -1.26 -3.27 120.40 113.03 1i4v s VAL 105 Ca 0.16 -0.65 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1i4v s VAL 105 Cb 0.01 -4.60 0.00 0.00 0.56 0.00 0.00 36.38 32.35 1i4v s VAL 105 CO 0.02 -1.31 0.03 -1.10 -0.31 0.00 0.00 175.10 172.42 1i4v s GLN 106 N 3.45 0.08 -0.04 4.82 -0.21 -0.89 -2.77 119.66 124.11 1i4v s GLN 106 Ca 0.17 -0.03 -0.06 0.00 0.02 0.00 0.00 55.36 55.46 1i4v s GLN 106 Cb -0.20 0.03 0.01 0.00 1.00 0.00 0.00 33.01 33.85 1i4v s GLN 106 CO 0.08 -0.01 0.15 -1.17 -2.12 0.00 0.00 175.29 172.22 1i4v s LEU 107 N -0.18 1.46 -0.47 2.90 2.96 -1.09 -2.68 118.68 121.58 1i4v s LEU 107 Ca -0.02 0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 1i4v s LEU 107 Cb -0.01 0.57 0.19 0.00 0.50 0.00 0.00 46.19 47.43 1i4v s LEU 107 CO -0.00 -0.15 0.58 0.00 -1.32 0.00 0.00 176.35 175.46 1i4v n ILE 108 N 2.54 -0.52 0.00 6.68 0.13 -1.26 -2.09 119.36 124.84 1i4v n ILE 108 Ca -0.16 -2.16 0.00 0.00 -1.10 0.00 0.00 62.75 59.34 1i4v n ILE 108 Cb 0.58 -0.17 0.00 0.00 -0.84 0.00 0.00 39.64 39.21 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 2.71 1.76 -1.20 9.51 -0.05 -1.26 -4.82 135.00 141.66 1i4v n PRO 109 Ca 0.22 0.00 0.01 0.00 -0.05 0.00 0.00 63.50 63.68 1i4v n PRO 109 Cb 0.53 0.00 -0.01 0.00 -0.05 0.00 0.00 33.50 33.98 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 -3.11 0.00 0.54 2.81 -1.25 -4.40 117.12 111.71 1i4v n MET 110 Ca 0.00 2.43 0.00 0.00 -1.81 0.00 0.00 57.70 58.32 1i4v n MET 110 Cb 0.00 -3.07 0.00 0.00 -0.71 0.00 0.00 33.22 29.44 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 -2.50 0.00 0.06 7.83 5.15 -1.25 -4.54 115.26 120.01 1i4v n ASN 111 Ca -0.01 0.02 -0.14 0.00 -0.60 0.00 0.00 54.58 53.86 1i4v n ASN 111 Cb 0.39 -0.39 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 1i4v n ASN 111 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1i4v h SER 112 N 0.00 0.27 -1.08 1.20 4.64 -1.92 -3.34 113.55 113.32 1i4v h SER 112 Ca 0.00 -0.35 -0.63 0.00 -0.47 0.00 0.00 61.79 60.34 1i4v h SER 112 Cb 0.00 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 61.86 1i4v h SER 112 CO 0.00 1.29 1.52 0.00 -0.87 0.00 0.00 176.83 178.77 1i4v n ALA 113 N -2.57 6.66 -2.10 5.18 0.00 -1.26 -4.96 120.51 121.47 1i4v n ALA 113 Ca -0.12 -3.59 -0.42 0.00 0.00 0.00 0.00 53.44 49.30 1i4v n ALA 113 Cb 1.02 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 -1.31 2.33 -0.56 0.00 1.13 -1.26 -4.73 117.35 112.96 1i4v s TYR 114 Ca 0.57 0.45 0.04 0.00 -1.41 0.00 0.00 57.07 56.71 1i4v s TYR 114 Cb 0.27 -3.81 0.16 0.00 -1.10 0.00 0.00 41.96 37.48 1i4v s TYR 114 CO -0.15 -3.28 0.39 -1.12 -2.51 0.00 0.00 175.55 168.89 1i4v s SER 115 N 2.74 3.50 0.18 -0.18 0.01 -1.26 -5.09 113.70 113.59 1i4v s SER 115 Ca 0.69 -3.35 -0.32 0.00 1.31 0.00 0.00 55.95 54.28 1i4v s SER 115 Cb -0.32 -1.14 -0.11 0.00 0.21 0.00 0.00 66.02 64.66 1i4v s SER 115 CO 0.27 -0.15 1.74 -2.84 0.41 0.00 0.00 173.24 172.67 1i4v s PRO 116 N -0.60 4.14 -0.02 12.44 0.01 -1.26 -4.77 135.00 144.94 1i4v s PRO 116 Ca 0.26 2.58 -0.01 0.00 0.01 0.00 0.00 61.00 63.84 1i4v s PRO 116 Cb -0.06 -3.24 0.01 0.00 0.01 0.00 0.00 34.50 31.22 1i4v s PRO 116 CO -0.14 -0.77 0.03 -1.50 0.01 0.00 0.00 177.00 174.64 1i4v s ILE 117 N 1.65 -0.02 0.33 2.83 2.07 -0.89 -4.99 121.20 122.17 1i4v s ILE 117 Ca 0.76 0.08 -0.19 0.00 -1.41 0.00 0.00 60.65 59.89 1i4v s ILE 117 Cb -0.48 -0.07 -0.09 0.00 0.13 0.00 0.00 42.46 41.95 1i4v s ILE 117 CO 0.33 0.03 0.82 0.28 -1.91 0.00 0.00 174.94 174.50 1i4v s THR 118 N 0.43 4.51 0.67 4.00 -1.32 -1.26 -2.68 115.64 119.99 1i4v s THR 118 Ca -0.03 1.30 -0.06 0.00 -1.21 0.00 0.00 61.69 61.68 1i4v s THR 118 Cb -0.05 -3.72 0.05 0.00 -1.51 0.00 0.00 72.50 67.26 1i4v s THR 118 CO -0.01 -0.08 0.98 -0.63 -2.21 0.00 0.00 174.62 172.66 1i4v s ILE 119 N -1.88 2.60 -1.09 5.08 1.01 -1.11 -4.94 121.20 120.87 1i4v s ILE 119 Ca 0.53 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.74 1i4v s ILE 119 Cb -0.13 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 1i4v s ILE 119 CO 0.18 -0.11 1.82 -0.44 0.00 0.00 0.00 174.94 176.39 1i4v s SER 120 N -4.47 5.64 -1.40 3.58 0.01 -1.26 -4.08 113.70 111.73 1i4v s SER 120 Ca 0.59 -1.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 1i4v s SER 120 Cb -0.11 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.57 1i4v s SER 120 CO 0.45 -2.36 0.67 -0.24 0.41 0.00 0.00 173.24 172.16 1i4v n SER 121 N 12.24 -1.65 -3.80 2.44 2.88 -1.26 -1.68 113.62 122.79 1i4v n SER 121 Ca 0.42 -0.88 -0.23 0.00 -1.33 0.00 0.00 58.87 56.85 1i4v n SER 121 Cb 0.47 -3.65 0.01 0.00 -0.75 0.00 0.00 64.21 60.30 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 -4.39 -4.11 0.00 -1.46 0.00 -1.26 -4.91 120.64 104.52 1i4v n GLU 122 Ca -0.22 0.53 0.00 0.00 0.00 0.00 0.00 57.16 57.47 1i4v n GLU 122 Cb 0.64 -4.88 0.00 0.00 0.00 0.00 0.00 31.44 27.20 1i4v n GLU 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1i4v n ASP 123 N -3.02 0.00 -3.17 4.31 9.92 -0.68 -4.61 116.55 119.30 1i4v n ASP 123 Ca -0.30 0.77 -0.18 0.00 -0.53 0.00 0.00 54.79 54.55 1i4v n ASP 123 Cb 0.68 -0.27 -0.06 0.00 -0.64 0.00 0.00 41.12 40.83 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 -2.06 -0.22 -0.20 -3.53 2.01 -1.26 -5.10 115.64 105.27 1i4v s THR 124 Ca 0.00 -1.84 0.01 0.00 0.31 0.00 0.00 61.69 60.16 1i4v s THR 124 Cb 0.00 -0.74 0.05 0.00 0.01 0.00 0.00 72.50 71.82 1i4v s THR 124 CO 0.00 -0.72 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.37 1i4v s LEU 125 N 0.53 2.25 0.08 4.42 2.01 -1.26 -4.24 118.68 122.46 1i4v s LEU 125 Ca 0.30 -0.92 -0.08 0.00 0.01 0.00 0.00 54.13 53.43 1i4v s LEU 125 Cb -0.00 -1.17 -0.00 0.00 0.01 0.00 0.00 46.19 45.02 1i4v s LEU 125 CO -0.12 -0.17 0.17 -0.62 1.01 0.00 0.00 176.35 176.62 1i4v s ASP 126 N 1.43 0.14 0.36 2.29 2.15 -1.14 -4.93 116.67 116.97 1i4v s ASP 126 Ca -0.02 -0.63 -0.23 0.00 0.43 0.00 0.00 52.55 52.10 1i4v s ASP 126 Cb -0.17 0.32 -0.10 0.00 -0.30 0.00 0.00 42.92 42.67 1i4v s ASP 126 CO -0.08 -0.69 0.93 -0.69 -0.17 0.00 0.00 175.17 174.47 1i4v s VAL 127 N -3.64 4.33 -0.13 1.11 1.01 -1.26 0.79 120.40 122.61 1i4v s VAL 127 Ca 0.03 1.61 0.10 0.00 0.00 0.00 0.00 61.98 63.73 1i4v s VAL 127 Cb 0.04 -3.81 -0.23 0.00 0.00 0.00 0.00 36.38 32.38 1i4v s VAL 127 CO -0.10 -0.07 0.31 0.33 0.00 0.00 0.00 175.10 175.57 1i4v n PHE 128 N 0.01 0.59 -2.29 5.22 7.35 -0.32 -4.81 117.46 123.19 1i4v n PHE 128 Ca 0.04 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 1i4v n PHE 128 Cb 0.52 -1.10 0.00 0.00 0.35 0.00 0.00 39.48 39.25 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 1.78 5.87 0.21 7.13 0.00 -1.24 -2.74 105.19 116.20 1i4v n GLY 129 Ca -0.28 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.65 1.61 3.14 -0.58 -2.07 118.33 116.79 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 0.52 -0.01 0.00 -1.06 0.00 0.00 33.84 33.29 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 -4.74 120.40 115.64 1i4v s VAL 131 Ca 0.00 -0.31 0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1i4v s VAL 131 Cb 0.00 -1.94 0.17 0.00 -1.53 0.00 0.00 36.38 33.08 1i4v s VAL 131 CO 0.00 0.00 0.45 -0.63 -3.33 0.00 0.00 175.10 171.59 1i4v s ILE 132 N -2.63 -0.33 -0.30 7.04 1.09 -1.25 -2.38 121.20 122.44 1i4v s ILE 132 Ca 0.13 -1.38 -0.28 0.00 -1.10 0.00 0.00 60.65 58.02 1i4v s ILE 132 Cb 0.03 -0.65 -0.02 0.00 -1.06 0.00 0.00 42.46 40.76 1i4v s ILE 132 CO -0.03 -0.61 1.85 -1.00 -0.10 0.00 0.00 174.94 175.06 1i4v s HIS 133 N 0.97 1.72 -0.24 3.97 3.76 0.36 -4.69 115.29 121.14 1i4v s HIS 133 Ca 0.24 0.59 -0.26 0.00 -0.15 0.00 0.00 55.06 55.47 1i4v s HIS 133 Cb -0.07 -4.09 0.00 0.00 1.11 0.00 0.00 32.58 29.53 1i4v s HIS 133 CO -0.07 -3.17 0.91 0.08 -0.85 0.00 0.00 174.74 171.64 1i4v s VAL 134 N 6.94 4.77 -0.58 -0.90 1.01 -1.26 -0.94 120.40 129.44 1i4v s VAL 134 Ca 0.83 1.72 -0.14 0.00 0.00 0.00 0.00 61.98 64.39 1i4v s VAL 134 Cb -0.25 -4.20 0.14 0.00 0.00 0.00 0.00 36.38 32.08 1i4v s VAL 134 CO 0.34 -0.13 0.51 -0.69 0.00 0.00 0.00 175.10 175.12 1i4v s VAL 135 N 3.00 4.99 -0.57 2.92 1.01 0.15 -4.97 120.40 126.94 1i4v s VAL 135 Ca 0.38 -1.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.33 1i4v s VAL 135 Cb -0.15 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.08 1i4v s VAL 135 CO 0.07 -0.88 0.96 -0.54 0.00 0.00 0.00 175.10 174.72 1i4v s LYS 136 N 1.24 3.31 -0.32 2.72 1.02 -1.26 -0.56 119.74 125.89 1i4v s LYS 136 Ca 0.07 -0.30 -0.28 0.00 0.02 0.00 0.00 55.97 55.49 1i4v s LYS 136 Cb -0.25 -4.07 -0.05 0.00 -0.52 0.00 0.00 37.83 32.94 1i4v s LYS 136 CO -0.00 -1.54 2.18 0.00 -0.92 0.00 0.00 175.35 175.07 1i4v s ALA 137 N 4.03 2.46 -0.32 5.17 0.00 -1.26 -4.93 121.76 126.91 1i4v s ALA 137 Ca 0.30 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 1i4v s ALA 137 Cb -0.13 -4.14 0.06 0.00 0.00 0.00 0.00 23.12 18.91 1i4v s ALA 137 CO 0.18 -3.23 0.04 -1.64 0.00 0.00 0.00 175.76 171.12 1i4v s MET 138 N 6.74 2.37 0.00 0.00 -1.94 -1.26 -4.99 119.30 120.21 1i4v s MET 138 Ca 0.95 -1.35 0.16 0.00 -1.71 0.00 0.00 55.69 53.74 1i4v s MET 138 Cb -0.26 -3.26 0.13 0.00 2.01 0.00 0.00 34.83 33.44 1i4v s MET 138 CO 0.32 -0.69 1.00 2.89 -0.01 0.00 0.00 175.02 178.53