#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwt s LYS 14 N 0.00 3.37 -0.04 0.54 1.02 -1.26 -5.01 119.74 118.36 3iwt s LYS 14 Ca 0.00 1.84 -0.30 0.00 0.02 0.00 0.00 55.97 57.53 3iwt s LYS 14 Cb 0.00 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 3iwt s LYS 14 CO 0.00 -0.89 1.10 0.45 -0.92 0.00 0.00 175.35 175.09 3iwt s SER 15 N -1.42 7.17 0.16 2.83 0.15 -1.26 -4.92 113.70 116.41 3iwt s SER 15 Ca 0.70 1.74 0.06 0.00 0.70 0.00 0.00 55.95 59.16 3iwt s SER 15 Cb -0.30 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.40 3iwt s SER 15 CO 0.35 -0.46 0.06 -0.76 1.20 0.00 0.00 173.24 173.63 3iwt s LEU 16 N 1.71 3.55 -0.23 3.45 1.43 -1.26 -4.94 118.68 122.39 3iwt s LEU 16 Ca 0.54 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 3iwt s LEU 16 Cb -0.23 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 3iwt s LEU 16 CO 0.23 0.09 0.25 0.20 0.23 0.00 0.00 176.35 177.35 3iwt s ASN 17 N -2.95 6.23 0.02 2.29 0.02 -1.26 -1.36 114.94 117.94 3iwt s ASN 17 Ca 0.29 0.26 0.07 0.00 -1.02 0.00 0.00 52.86 52.46 3iwt s ASN 17 Cb -0.10 -2.15 -0.03 0.00 0.02 0.00 0.00 41.25 38.99 3iwt s ASN 17 CO 0.21 0.01 -0.20 -0.36 0.02 0.00 0.00 177.10 176.78 3iwt s PHE 18 N 1.17 2.52 -0.10 2.20 0.40 0.35 -0.62 117.98 123.89 3iwt s PHE 18 Ca 0.12 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.19 3iwt s PHE 18 Cb -0.14 -1.48 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 3iwt s PHE 18 CO 0.06 0.20 -0.19 -0.47 0.70 0.00 0.00 175.22 175.52 3iwt s TYR 19 N -0.85 2.66 -0.13 0.36 5.04 -0.15 -0.76 117.35 123.52 3iwt s TYR 19 Ca 0.13 -0.75 -0.01 0.00 -2.44 0.00 0.00 57.07 54.00 3iwt s TYR 19 Cb -0.10 -1.74 -0.02 0.00 0.35 0.00 0.00 41.96 40.44 3iwt s TYR 19 CO 0.04 -0.25 -0.10 0.08 -1.34 0.00 0.00 175.55 173.98 3iwt s VAL 20 N 0.18 3.36 -0.13 3.14 1.01 -0.53 -1.31 120.40 126.12 3iwt s VAL 20 Ca -0.11 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3iwt s VAL 20 Cb -0.16 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.81 3iwt s VAL 20 CO 0.06 0.52 -0.16 -0.63 0.00 0.00 0.00 175.10 174.89 3iwt s ILE 21 N 0.27 1.63 -0.21 2.22 1.01 0.10 -1.70 121.20 124.50 3iwt s ILE 21 Ca -0.07 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 3iwt s ILE 21 Cb -0.15 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 3iwt s ILE 21 CO 0.04 0.47 0.11 -0.89 0.00 0.00 0.00 174.94 174.67 3iwt s THR 22 N 1.18 5.03 -0.42 2.92 2.01 0.17 -0.96 115.64 125.57 3iwt s THR 22 Ca -0.01 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 3iwt s THR 22 Cb -0.14 -3.31 0.11 0.00 0.01 0.00 0.00 72.50 69.16 3iwt s THR 22 CO -0.06 0.40 0.24 -0.63 -0.69 0.00 0.00 174.62 173.87 3iwt s ILE 23 N 0.79 3.59 -0.25 1.82 1.01 0.07 -1.25 121.20 126.97 3iwt s ILE 23 Ca 0.06 -1.90 -0.04 0.00 0.00 0.00 0.00 60.65 58.77 3iwt s ILE 23 Cb -0.13 -3.39 0.14 0.00 0.01 0.00 0.00 42.46 39.09 3iwt s ILE 23 CO 0.02 -0.67 0.48 -0.55 0.00 0.00 0.00 174.94 174.22 3iwt s SER 24 N 2.04 -0.47 0.09 3.58 0.15 0.27 -4.38 113.70 114.98 3iwt s SER 24 Ca 0.06 0.73 -0.19 0.00 0.70 0.00 0.00 55.95 57.26 3iwt s SER 24 Cb -0.24 1.59 -0.08 0.00 -1.71 0.00 0.00 66.02 65.58 3iwt s SER 24 CO -0.03 -0.26 1.53 0.74 1.20 0.00 0.00 173.24 176.42 3iwt h THR 25 N 6.11 1.25 -0.24 6.45 2.02 -1.88 -0.78 112.91 125.83 3iwt h THR 25 Ca -0.19 -0.86 0.03 0.00 0.77 0.00 0.00 66.41 66.16 3iwt h THR 25 Cb 1.14 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 3iwt h THR 25 CO 0.21 0.27 0.05 0.77 0.37 0.00 0.00 175.52 177.19 3iwt h SER 26 N 0.21 0.02 -0.56 4.18 4.64 -1.96 -0.17 113.55 119.91 3iwt h SER 26 Ca 0.07 0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 3iwt h SER 26 Cb 0.38 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 3iwt h SER 26 CO 0.01 0.04 -0.02 0.03 -0.87 0.00 0.00 176.83 176.02 3iwt h ARG 27 N 0.15 1.02 -0.55 4.77 3.08 -1.95 -2.57 114.38 118.32 3iwt h ARG 27 Ca 0.11 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 3iwt h ARG 27 Cb 0.11 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3iwt h ARG 27 CO -0.14 1.01 0.28 -0.92 -1.07 0.00 0.00 179.97 179.12 3iwt h TYR 28 N 0.93 0.77 -0.73 3.04 3.20 -0.61 -1.35 116.97 122.23 3iwt h TYR 28 Ca 0.16 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3iwt h TYR 28 Cb 0.56 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 3iwt h TYR 28 CO 0.04 0.59 0.37 0.93 -1.64 0.00 0.00 178.16 178.45 3iwt h GLU 29 N 0.74 1.02 -0.55 1.82 5.08 -0.88 -1.41 114.58 120.40 3iwt h GLU 29 Ca 0.19 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 3iwt h GLU 29 Cb 0.09 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3iwt h GLU 29 CO -0.03 0.77 0.05 0.87 -1.00 0.00 0.00 179.01 179.67 3iwt h LYS 30 N 1.02 0.94 -0.91 2.33 1.57 -1.14 -2.30 116.57 118.08 3iwt h LYS 30 Ca 0.25 -0.28 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3iwt h LYS 30 Cb 0.07 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 3iwt h LYS 30 CO -0.04 0.93 0.57 1.25 -0.57 0.00 0.00 179.45 181.59 3iwt h LEU 31 N 0.83 0.87 -0.73 2.94 5.85 -0.70 0.84 115.31 125.21 3iwt h LEU 31 Ca 0.16 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 3iwt h LEU 31 Cb 0.47 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3iwt h LEU 31 CO 0.02 0.53 0.21 -0.07 -0.34 0.00 0.00 178.44 178.78 3iwt h LEU 32 N 0.99 1.09 -0.23 2.25 3.38 -1.00 -2.33 115.31 119.45 3iwt h LEU 32 Ca 0.42 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3iwt h LEU 32 Cb 0.27 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3iwt h LEU 32 CO -0.21 1.02 0.00 0.29 0.09 0.00 0.00 178.44 179.64 3iwt n LYS 33 N -4.24 1.15 -2.67 1.13 5.02 -0.87 -4.90 118.16 112.77 3iwt n LYS 33 Ca 0.06 -0.23 -0.19 0.00 -2.02 0.00 0.00 58.31 55.93 3iwt n LYS 33 Cb 0.24 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3iwt n LYS 33 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3iwt n LYS 34 N -0.39 -2.79 -3.47 1.97 4.76 -0.48 -4.98 118.16 112.79 3iwt n LYS 34 Ca 0.06 0.79 -0.26 0.00 -2.87 0.00 0.00 58.31 56.03 3iwt n LYS 34 Cb 0.07 -5.49 -0.02 0.00 -1.84 0.00 0.00 35.03 27.75 3iwt n LYS 34 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3iwt s GLU 35 N -5.31 3.53 0.26 1.97 2.02 0.17 -5.00 118.70 116.34 3iwt s GLU 35 Ca 0.12 -0.25 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 3iwt s GLU 35 Cb -0.06 -2.71 -0.10 0.00 0.10 0.00 0.00 34.13 31.36 3iwt s GLU 35 CO 0.14 0.24 1.42 -1.25 0.02 0.00 0.00 175.26 175.84 3iwt s PRO 36 N -3.82 4.27 0.10 0.39 0.04 -1.26 -4.41 135.00 130.31 3iwt s PRO 36 Ca 0.40 2.30 0.08 0.00 0.04 0.00 0.00 61.00 63.82 3iwt s PRO 36 Cb -0.10 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 3iwt s PRO 36 CO 0.32 -0.39 -0.21 0.96 0.04 0.00 0.00 177.00 177.72 3iwt s ILE 37 N -0.20 1.71 -0.16 0.56 -4.36 -1.26 -4.99 121.20 112.50 3iwt s ILE 37 Ca 0.58 -1.54 0.00 0.00 -0.26 0.00 0.00 60.65 59.43 3iwt s ILE 37 Cb -0.42 -1.55 -0.00 0.00 1.25 0.00 0.00 42.46 41.74 3iwt s ILE 37 CO 0.45 -0.06 -0.15 -0.69 0.24 0.00 0.00 174.94 174.73 3iwt s VAL 38 N -1.16 2.66 -0.84 8.37 1.01 -1.26 -5.06 120.40 124.12 3iwt s VAL 38 Ca 0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 3iwt s VAL 38 Cb -0.10 -2.12 0.21 0.00 0.00 0.00 0.00 36.38 34.36 3iwt s VAL 38 CO 0.04 0.51 0.71 -0.62 0.00 0.00 0.00 175.10 175.74 3iwt s ASP 39 N 0.84 5.73 0.15 3.32 2.15 -1.26 -4.94 116.67 122.67 3iwt s ASP 39 Ca -0.05 -3.71 -0.15 0.00 0.43 0.00 0.00 52.55 49.08 3iwt s ASP 39 Cb -0.15 -1.85 0.03 0.00 -0.30 0.00 0.00 42.92 40.64 3iwt s ASP 39 CO -0.01 -0.17 1.73 -0.08 -0.17 0.00 0.00 175.17 176.47 3iwt h GLU 40 N 5.94 0.67 -0.32 4.34 4.81 -1.97 -1.00 114.58 127.06 3iwt h GLU 40 Ca 0.15 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3iwt h GLU 40 Cb 0.81 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3iwt h GLU 40 CO 0.82 0.57 0.04 0.77 -0.73 0.00 0.00 179.01 180.47 3iwt h SER 41 N 0.61 0.52 -0.76 1.04 0.02 -1.92 -0.90 113.55 112.16 3iwt h SER 41 Ca 0.16 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3iwt h SER 41 Cb 0.11 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3iwt h SER 41 CO -0.02 0.66 0.44 1.23 -1.14 0.00 0.00 176.83 178.00 3iwt h GLY 42 N 0.35 1.12 1.00 -3.77 0.00 -1.91 -2.24 103.07 97.62 3iwt h GLY 42 Ca 0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3iwt h GLY 42 CO 0.01 0.47 0.37 -0.55 0.00 0.00 0.00 176.54 176.83 3iwt h ASP 43 N 1.05 0.74 -0.60 0.19 3.32 -0.99 -1.57 116.42 118.56 3iwt h ASP 43 Ca 0.27 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3iwt h ASP 43 Cb -0.00 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 3iwt h ASP 43 CO -0.05 0.59 0.38 0.40 -1.72 0.00 0.00 179.24 178.84 3iwt h ILE 44 N 0.83 1.17 -0.12 0.35 2.04 -0.96 -1.02 117.51 119.79 3iwt h ILE 44 Ca 0.22 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3iwt h ILE 44 Cb -0.01 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3iwt h ILE 44 CO -0.04 0.17 0.06 0.40 0.00 0.00 0.00 178.15 178.74 3iwt h ILE 45 N 0.82 1.11 -0.04 -0.67 2.04 -1.13 -1.13 117.51 118.51 3iwt h ILE 45 Ca 0.22 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3iwt h ILE 45 Cb -0.05 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3iwt h ILE 45 CO -0.04 0.10 -0.01 0.11 0.00 0.00 0.00 178.15 178.31 3iwt h LYS 46 N 0.08 0.01 -0.08 2.37 1.57 -1.15 -0.55 116.57 118.83 3iwt h LYS 46 Ca 0.04 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3iwt h LYS 46 Cb 0.10 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3iwt h LYS 46 CO -0.01 0.00 -0.09 1.96 -0.57 0.00 0.00 179.45 180.74 3iwt h GLN 47 N 0.01 -0.12 -0.35 3.15 4.20 -1.10 0.04 115.11 120.94 3iwt h GLN 47 Ca 0.02 0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3iwt h GLN 47 Cb 0.02 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3iwt h GLN 47 CO -0.03 -0.08 -0.23 -0.07 -0.67 0.00 0.00 178.83 177.75 3iwt h LEU 48 N -0.12 0.80 -0.53 1.46 3.38 -1.13 0.62 115.31 119.79 3iwt h LEU 48 Ca 0.06 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3iwt h LEU 48 Cb 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3iwt h LEU 48 CO -0.15 1.06 0.30 -0.07 0.09 0.00 0.00 178.44 179.67 3iwt h LEU 49 N 0.55 0.64 -0.52 1.67 3.38 -0.94 -2.35 115.31 117.74 3iwt h LEU 49 Ca 0.07 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3iwt h LEU 49 Cb 0.78 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3iwt h LEU 49 CO 0.06 0.53 -0.08 0.40 0.09 0.00 0.00 178.44 179.45 3iwt h ILE 50 N 0.71 1.27 0.00 1.22 2.04 -0.91 -2.00 117.51 119.83 3iwt h ILE 50 Ca 0.19 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3iwt h ILE 50 Cb 0.02 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3iwt h ILE 50 CO -0.03 0.43 -0.06 -0.33 0.00 0.00 0.00 178.15 178.15 3iwt h GLU 51 N 0.84 0.00 -0.60 2.37 5.08 -0.79 -2.60 114.58 118.89 3iwt h GLU 51 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3iwt h GLU 51 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3iwt h GLU 51 CO 0.04 0.06 0.00 0.09 -1.00 0.00 0.00 179.01 178.20 3iwt n ASN 52 N -3.61 3.54 0.00 1.42 3.02 -0.89 -4.94 115.26 113.79 3iwt n ASN 52 Ca -0.02 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 3iwt n ASN 52 Cb 0.17 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 3iwt n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iwt n GLY 53 N 1.55 0.59 3.97 7.41 0.00 -0.98 -5.03 105.19 112.70 3iwt n GLY 53 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3iwt n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iwt s HIS 54 N -2.00 2.68 0.04 1.61 3.76 -0.77 -4.52 115.29 116.09 3iwt s HIS 54 Ca 0.00 0.04 0.08 0.00 -0.15 0.00 0.00 55.06 55.03 3iwt s HIS 54 Cb 0.00 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.78 3iwt s HIS 54 CO 0.00 -1.10 -0.22 0.15 -0.85 0.00 0.00 174.74 172.71 3iwt s LYS 55 N -4.91 1.93 -0.33 1.40 -0.14 -0.46 -4.11 119.74 113.12 3iwt s LYS 55 Ca 0.59 -1.05 -0.11 0.00 -1.36 0.00 0.00 55.97 54.04 3iwt s LYS 55 Cb -0.10 -2.08 -0.01 0.00 -1.68 0.00 0.00 37.83 33.96 3iwt s LYS 55 CO 0.40 0.53 0.19 0.42 -0.76 0.00 0.00 175.35 176.13 3iwt s ILE 56 N -0.87 4.89 -1.65 2.17 -1.09 -1.26 -0.50 121.20 122.89 3iwt s ILE 56 Ca 0.13 -0.35 0.17 0.00 -2.23 0.00 0.00 60.65 58.37 3iwt s ILE 56 Cb -0.10 -3.51 0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3iwt s ILE 56 CO 0.04 0.03 0.91 2.30 -1.23 0.00 0.00 174.94 176.98 3iwt n ILE 57 N 5.03 0.00 -3.64 2.92 -5.35 0.07 -4.93 119.36 113.46 3iwt n ILE 57 Ca -0.13 -0.37 -0.03 0.00 -0.27 0.00 0.00 62.75 61.95 3iwt n ILE 57 Cb 0.49 1.23 -0.01 0.00 -1.74 0.00 0.00 39.64 39.61 3iwt n ILE 57 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3iwt s GLY 58 N -1.82 -0.34 -0.15 3.28 0.00 -1.24 -5.01 107.32 102.04 3iwt s GLY 58 Ca 0.15 0.66 -0.20 0.00 0.00 0.00 0.00 44.72 45.33 3iwt s GLY 58 CO 0.37 0.18 0.52 -0.47 0.00 0.00 0.00 173.10 173.70 3iwt s TYR 59 N -2.93 -0.53 0.05 1.90 5.04 -1.26 -1.45 117.35 118.17 3iwt s TYR 59 Ca 0.11 1.19 -0.09 0.00 -2.44 0.00 0.00 57.07 55.84 3iwt s TYR 59 Cb 0.00 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.53 3iwt s TYR 59 CO -0.03 -0.35 0.18 -1.54 -1.34 0.00 0.00 175.55 172.47 3iwt s SER 60 N -0.21 0.07 -0.09 4.32 1.04 -0.69 -4.98 113.70 113.17 3iwt s SER 60 Ca -0.04 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3iwt s SER 60 Cb -0.03 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.39 3iwt s SER 60 CO 0.03 -0.59 -0.13 -0.22 0.98 0.00 0.00 173.24 173.31 3iwt s LEU 61 N -2.27 1.60 0.07 2.42 2.96 -1.26 -0.66 118.68 121.55 3iwt s LEU 61 Ca -0.03 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3iwt s LEU 61 Cb 0.00 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 3iwt s LEU 61 CO -0.06 0.01 -0.06 0.68 -1.32 0.00 0.00 176.35 175.60 3iwt s VAL 62 N 0.94 0.51 0.72 1.68 -7.23 -0.38 -4.96 120.40 111.67 3iwt s VAL 62 Ca -0.09 -1.65 -0.08 0.00 -1.81 0.00 0.00 61.98 58.35 3iwt s VAL 62 Cb -0.15 -1.32 0.16 0.00 0.56 0.00 0.00 36.38 35.63 3iwt s VAL 62 CO 0.00 -0.78 0.98 -0.81 -0.31 0.00 0.00 175.10 174.18 3iwt n PRO 63 N 0.43 -0.59 -1.47 4.82 -0.04 -1.26 -0.56 135.00 136.33 3iwt n PRO 63 Ca -0.16 -1.94 -0.41 0.00 -0.04 0.00 0.00 63.50 60.95 3iwt n PRO 63 Cb 0.59 -0.87 -0.02 0.00 -0.04 0.00 0.00 33.50 33.16 3iwt n PRO 63 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3iwt n ASP 64 N -3.36 3.75 -3.87 3.54 8.00 -1.26 -4.63 116.55 118.72 3iwt n ASP 64 Ca 0.14 -2.75 -0.21 0.00 0.71 0.00 0.00 54.79 52.68 3iwt n ASP 64 Cb 0.48 -1.45 -0.17 0.00 -0.02 0.00 0.00 41.12 39.97 3iwt n ASP 64 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3iwt s ASP 65 N 3.75 1.15 0.12 -2.24 2.15 -1.26 -4.97 116.67 115.38 3iwt s ASP 65 Ca 0.52 -0.13 -0.25 0.00 0.43 0.00 0.00 52.55 53.12 3iwt s ASP 65 Cb 0.14 -0.47 -0.06 0.00 -0.30 0.00 0.00 42.92 42.24 3iwt s ASP 65 CO -0.02 -0.09 1.66 0.50 -0.17 0.00 0.00 175.17 177.05 3iwt h LYS 66 N 7.48 -0.31 -0.54 4.34 3.64 -1.96 -0.34 116.57 128.89 3iwt h LYS 66 Ca -0.33 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.01 3iwt h LYS 66 Cb 1.15 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3iwt h LYS 66 CO 0.42 -0.20 0.12 0.82 -2.27 0.00 0.00 179.45 178.33 3iwt h ILE 67 N -0.32 1.25 -0.38 2.00 2.04 -1.98 -0.30 117.51 119.82 3iwt h ILE 67 Ca 0.06 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 3iwt h ILE 67 Cb 0.39 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3iwt h ILE 67 CO -0.18 0.33 0.04 0.11 0.00 0.00 0.00 178.15 178.44 3iwt h LYS 68 N 0.77 0.59 -0.14 2.37 1.57 -1.85 -0.83 116.57 119.04 3iwt h LYS 68 Ca 0.17 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3iwt h LYS 68 Cb 0.36 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3iwt h LYS 68 CO 0.00 0.58 -0.40 0.82 -0.57 0.00 0.00 179.45 179.89 3iwt h ILE 69 N 0.56 1.36 -0.40 1.86 2.04 -0.74 -1.84 117.51 120.35 3iwt h ILE 69 Ca 0.12 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.33 3iwt h ILE 69 Cb 0.31 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 3iwt h ILE 69 CO 0.01 0.51 0.19 -0.07 0.00 0.00 0.00 178.15 178.79 3iwt h LEU 70 N 0.13 0.27 -0.75 1.44 3.38 -0.86 -1.85 115.31 117.08 3iwt h LEU 70 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3iwt h LEU 70 Cb 1.02 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3iwt h LEU 70 CO 0.09 0.20 0.43 0.50 0.09 0.00 0.00 178.44 179.75 3iwt h LYS 71 N 0.39 1.03 -0.64 1.13 3.64 -1.12 0.11 116.57 121.12 3iwt h LYS 71 Ca 0.17 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3iwt h LYS 71 Cb 0.09 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3iwt h LYS 71 CO -0.13 0.75 0.40 0.00 -2.27 0.00 0.00 179.45 178.19 3iwt h ALA 72 N 1.23 0.82 -0.24 5.00 0.00 -0.99 -0.85 119.26 124.23 3iwt h ALA 72 Ca 0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3iwt h ALA 72 Cb -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3iwt h ALA 72 CO -0.05 0.16 -0.27 0.74 0.00 0.00 0.00 179.25 179.83 3iwt h PHE 73 N 0.79 0.74 -0.51 0.00 -1.00 -0.98 -2.80 116.94 113.18 3iwt h PHE 73 Ca 0.25 -0.23 -0.08 0.00 2.81 0.00 0.00 57.97 60.72 3iwt h PHE 73 Cb 0.00 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 3iwt h PHE 73 CO -0.05 0.95 -0.03 1.79 -1.61 0.00 0.00 178.31 179.37 3iwt h THR 74 N 0.32 1.25 -0.88 -1.55 1.35 -0.91 0.43 112.91 112.93 3iwt h THR 74 Ca 0.03 -1.09 0.07 0.00 -0.55 0.00 0.00 66.41 64.88 3iwt h THR 74 Cb 0.84 0.89 -0.07 0.00 -1.73 0.00 0.00 68.15 68.09 3iwt h THR 74 CO 0.07 0.38 0.54 0.44 -0.25 0.00 0.00 175.52 176.70 3iwt h ASP 75 N 0.80 0.83 -0.07 5.36 3.32 -1.17 -1.08 116.42 124.41 3iwt h ASP 75 Ca 0.15 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.03 3iwt h ASP 75 Cb 0.52 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.93 3iwt h ASP 75 CO 0.03 0.52 -0.72 0.00 -1.72 0.00 0.00 179.24 177.35 3iwt h ALA 76 N 1.43 0.18 0.00 3.45 0.00 -1.16 -3.18 119.26 119.98 3iwt h ALA 76 Ca 0.39 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3iwt h ALA 76 Cb 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3iwt h ALA 76 CO -0.19 0.52 -0.08 -0.07 0.00 0.00 0.00 179.25 179.43 3iwt h LEU 77 N 0.23 0.00 -0.12 0.00 3.38 -0.75 -2.57 115.31 115.48 3iwt h LEU 77 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3iwt h LEU 77 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3iwt h LEU 77 CO 0.14 0.08 -0.05 -1.54 0.09 0.00 0.00 178.44 177.16 3iwt n SER 78 N -4.01 0.24 -4.52 -0.43 3.41 -0.43 -4.66 113.62 103.23 3iwt n SER 78 Ca -0.03 -0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 57.71 3iwt n SER 78 Cb 0.16 -0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 3iwt n SER 78 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3iwt s ILE 79 N -2.46 5.02 0.33 -1.33 1.01 -0.97 -4.96 121.20 117.84 3iwt s ILE 79 Ca 0.31 0.03 0.04 0.00 0.00 0.00 0.00 60.65 61.03 3iwt s ILE 79 Cb 0.20 -4.02 0.30 0.00 0.01 0.00 0.00 42.46 38.95 3iwt s ILE 79 CO 0.46 -0.34 1.90 -0.78 0.00 0.00 0.00 174.94 176.18 3iwt h ASP 80 N 8.63 0.78 0.97 3.58 3.58 -1.87 -1.85 116.42 130.24 3iwt h ASP 80 Ca -0.27 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.20 3iwt h ASP 80 Cb 1.12 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 3iwt h ASP 80 CO 0.79 0.46 -0.01 -0.33 -2.88 0.00 0.00 179.24 177.28 3iwt h GLU 81 N 0.86 0.00 -6.53 0.28 3.07 -1.95 -3.44 114.58 106.88 3iwt h GLU 81 Ca 0.40 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.73 3iwt h GLU 81 Cb 0.40 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.34 3iwt h GLU 81 CO -0.17 0.01 0.92 0.08 -1.40 0.00 0.00 179.01 178.45 3iwt s VAL 82 N -3.69 2.86 -0.22 3.13 1.01 -0.70 -4.61 120.40 118.18 3iwt s VAL 82 Ca 0.01 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.50 3iwt s VAL 82 Cb 0.09 -3.32 -0.20 0.00 0.00 0.00 0.00 36.38 32.95 3iwt s VAL 82 CO 0.54 0.02 -0.06 0.47 0.00 0.00 0.00 175.10 176.08 3iwt n ASP 83 N 4.71 1.88 -3.87 3.32 8.00 0.21 -4.87 116.55 125.92 3iwt n ASP 83 Ca 0.15 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 3iwt n ASP 83 Cb 0.40 -0.43 -0.14 0.00 -0.02 0.00 0.00 41.12 40.93 3iwt n ASP 83 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwt s VAL 84 N -2.53 0.00 -0.12 2.53 1.01 -0.82 -1.93 120.40 118.54 3iwt s VAL 84 Ca -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3iwt s VAL 84 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 36.38 36.41 3iwt s VAL 84 CO 0.66 -0.02 -0.14 -0.63 0.00 0.00 0.00 175.10 174.97 3iwt s ILE 85 N -0.05 2.98 -0.11 2.22 1.01 -0.11 -0.98 121.20 126.15 3iwt s ILE 85 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3iwt s ILE 85 Cb -0.00 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3iwt s ILE 85 CO -0.00 0.53 -0.17 -0.63 0.00 0.00 0.00 174.94 174.68 3iwt s ILE 86 N 0.26 1.62 0.14 2.92 1.01 -0.43 -0.54 121.20 126.18 3iwt s ILE 86 Ca -0.10 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 59.91 3iwt s ILE 86 Cb -0.16 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3iwt s ILE 86 CO 0.06 0.46 -0.05 -0.94 0.00 0.00 0.00 174.94 174.47 3iwt s SER 87 N 0.95 4.60 -0.10 3.58 1.04 -0.09 -0.72 113.70 122.95 3iwt s SER 87 Ca -0.07 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 55.99 3iwt s SER 87 Cb -0.15 -0.93 0.02 0.00 0.10 0.00 0.00 66.02 65.05 3iwt s SER 87 CO -0.02 0.13 -0.12 0.28 0.98 0.00 0.00 173.24 174.50 3iwt s THR 88 N -1.48 1.26 0.00 2.02 -1.32 -0.13 -0.36 115.64 115.62 3iwt s THR 88 Ca 0.25 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 3iwt s THR 88 Cb -0.10 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.71 3iwt s THR 88 CO 0.16 0.39 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 3iwt n GLY 89 N 4.30 3.39 1.81 6.08 0.00 -0.31 -0.75 105.19 119.70 3iwt n GLY 89 Ca -0.19 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3iwt n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwt n GLY 90 N -0.10 0.51 0.91 -0.02 0.00 -1.26 -4.73 105.19 100.50 3iwt n GLY 90 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.26 3iwt n GLY 90 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iwt n THR 91 N -3.60 1.60 -1.67 2.61 -2.24 -1.26 -2.15 114.28 107.57 3iwt n THR 91 Ca 0.00 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 3iwt n THR 91 Cb 0.39 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3iwt n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iwt n GLY 92 N 0.29 3.33 0.65 3.38 0.00 -1.26 -0.48 105.19 111.10 3iwt n GLY 92 Ca 0.18 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.35 3iwt n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iwt n TYR 93 N 0.00 0.64 -1.70 1.61 4.01 -1.26 -4.76 117.16 115.69 3iwt n TYR 93 Ca 0.00 -0.80 -0.41 0.00 -0.16 0.00 0.00 57.90 56.54 3iwt n TYR 93 Cb 0.00 -0.21 0.02 0.00 -0.31 0.00 0.00 39.34 38.83 3iwt n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3iwt n SER 94 N -0.45 2.54 0.03 7.72 2.88 -1.26 -4.86 113.62 120.21 3iwt n SER 94 Ca 0.17 1.09 0.22 0.00 -1.33 0.00 0.00 58.87 59.02 3iwt n SER 94 Cb 0.72 -1.51 0.73 0.00 -0.75 0.00 0.00 64.21 63.40 3iwt n SER 94 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3iwt h PRO 95 N 1.99 0.00 -0.02 -1.46 0.11 -2.04 -1.57 132.00 129.01 3iwt h PRO 95 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3iwt h PRO 95 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3iwt h PRO 95 CO 0.59 0.00 -0.26 0.25 -0.21 0.00 0.00 178.00 178.38 3iwt n THR 96 N -3.94 0.00 -2.27 -1.15 -2.24 -1.26 -4.85 114.28 98.57 3iwt n THR 96 Ca 0.10 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 3iwt n THR 96 Cb 0.67 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.97 3iwt n THR 96 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iwt s ASP 97 N -2.30 6.21 0.00 3.42 1.01 -0.59 -4.84 116.67 119.57 3iwt s ASP 97 Ca 0.24 0.90 0.00 0.00 0.71 0.00 0.00 52.55 54.40 3iwt s ASP 97 Cb 0.19 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.58 3iwt s ASP 97 CO 0.46 -1.52 0.69 2.30 0.21 0.00 0.00 175.17 177.31 3iwt n ILE 98 N 7.15 0.41 -0.04 0.77 -5.35 -1.19 -4.87 119.36 116.23 3iwt n ILE 98 Ca 0.18 -0.41 -0.11 0.00 -0.27 0.00 0.00 62.75 62.14 3iwt n ILE 98 Cb 0.48 0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 39.15 3iwt n ILE 98 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3iwt h THR 99 N 1.71 1.11 -0.40 7.28 2.02 -1.72 -0.53 112.91 122.39 3iwt h THR 99 Ca 0.00 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 3iwt h THR 99 Cb 0.78 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 3iwt h THR 99 CO 0.00 0.11 -0.10 0.58 0.37 0.00 0.00 175.52 176.48 3iwt h VAL 100 N 0.18 1.27 0.00 3.16 2.07 -1.91 -0.48 116.25 120.54 3iwt h VAL 100 Ca 0.06 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 3iwt h VAL 100 Cb 0.09 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3iwt h VAL 100 CO -0.01 0.40 -0.34 -0.33 0.02 0.00 0.00 177.57 177.31 3iwt h GLU 101 N 0.59 0.00 0.05 1.57 3.07 -1.89 -0.84 114.58 117.14 3iwt h GLU 101 Ca 0.10 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.89 3iwt h GLU 101 Cb 0.62 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.54 3iwt h GLU 101 CO 0.04 0.34 -0.31 1.15 -1.40 0.00 0.00 179.01 178.83 3iwt h THR 102 N 0.00 1.68 0.02 1.13 2.02 -0.79 -3.42 112.91 113.55 3iwt h THR 102 Ca -0.00 -2.39 -0.35 0.00 0.77 0.00 0.00 66.41 64.43 3iwt h THR 102 Cb 0.70 3.29 -0.05 0.00 -1.74 0.00 0.00 68.15 70.34 3iwt h THR 102 CO 0.04 0.65 -2.14 -0.38 0.37 0.00 0.00 175.52 174.06 3iwt n ILE 103 N -4.43 1.54 0.20 3.11 2.08 -0.22 -4.38 119.36 117.27 3iwt n ILE 103 Ca -0.11 -0.75 0.09 0.00 0.56 0.00 0.00 62.75 62.53 3iwt n ILE 103 Cb 0.61 -1.04 0.61 0.00 -0.75 0.00 0.00 39.64 39.07 3iwt n ILE 103 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 3iwt h ARG 104 N 0.01 0.08 0.00 0.38 2.43 -1.34 0.59 114.38 116.53 3iwt h ARG 104 Ca -0.46 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 3iwt h ARG 104 Cb 2.07 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.60 3iwt h ARG 104 CO 0.03 0.05 -0.10 0.87 -1.51 0.00 0.00 179.97 179.31 3iwt h LYS 105 N 0.08 0.00 0.00 0.20 1.57 -1.76 -2.78 116.57 113.87 3iwt h LYS 105 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3iwt h LYS 105 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3iwt h LYS 105 CO -0.01 0.10 -0.07 1.28 -0.57 0.00 0.00 179.45 180.18 3iwt n LEU 106 N -4.15 0.34 -4.75 2.94 4.77 0.20 -4.88 117.00 111.46 3iwt n LEU 106 Ca -0.03 0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 56.01 3iwt n LEU 106 Cb 0.18 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 3iwt n LEU 106 CO 0.33 -0.05 1.23 -0.36 -1.33 0.00 0.00 177.39 177.21 3iwt s PHE 107 N -3.04 2.79 0.13 -1.77 0.08 -1.05 -4.88 117.98 110.25 3iwt s PHE 107 Ca 0.12 0.81 -0.18 0.00 0.12 0.00 0.00 56.93 57.80 3iwt s PHE 107 Cb 0.16 -4.04 -0.02 0.00 -0.57 0.00 0.00 43.02 38.56 3iwt s PHE 107 CO 0.57 -3.48 1.77 -0.44 -0.10 0.00 0.00 175.22 173.55 3iwt h ASP 108 N 4.92 0.23 -3.53 1.36 3.32 -0.85 -3.44 116.42 118.42 3iwt h ASP 108 Ca -0.47 0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.27 3iwt h ASP 108 Cb 1.22 -0.04 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 3iwt h ASP 108 CO 0.79 0.17 -0.74 -0.13 -1.72 0.00 0.00 179.24 177.61 3iwt s ARG 109 N -6.17 0.18 0.22 3.56 0.52 -1.17 -5.02 118.95 111.07 3iwt s ARG 109 Ca -0.13 0.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.88 3iwt s ARG 109 Cb 0.10 -0.38 -0.08 0.00 0.52 0.00 0.00 34.95 35.11 3iwt s ARG 109 CO 0.70 -0.13 1.14 -1.21 0.02 0.00 0.00 175.30 175.82 3iwt s GLU 110 N 0.93 4.56 -0.99 3.54 2.02 -1.26 -1.40 118.70 126.10 3iwt s GLU 110 Ca -0.09 1.82 -0.20 0.00 0.02 0.00 0.00 54.97 56.52 3iwt s GLU 110 Cb -0.12 -3.23 0.11 0.00 0.10 0.00 0.00 34.13 30.99 3iwt s GLU 110 CO -0.02 0.05 1.27 0.42 0.02 0.00 0.00 175.26 177.00 3iwt s ILE 111 N -0.50 4.49 0.20 -1.63 1.01 0.03 -4.85 121.20 119.96 3iwt s ILE 111 Ca 0.49 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 3iwt s ILE 111 Cb -0.32 -4.89 0.14 0.00 0.01 0.00 0.00 42.46 37.41 3iwt s ILE 111 CO 0.38 -1.66 1.87 -0.33 0.00 0.00 0.00 174.94 175.20 3iwt h GLU 112 N 8.93 0.97 0.00 2.79 5.08 -1.93 -1.97 114.58 128.45 3iwt h GLU 112 Ca 0.19 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3iwt h GLU 112 Cb 1.00 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3iwt h GLU 112 CO 1.23 0.65 0.00 0.78 -1.00 0.00 0.00 179.01 180.67 3iwt h GLY 113 N 0.99 0.00 0.89 -3.84 0.00 -1.95 -3.16 103.07 96.00 3iwt h GLY 113 Ca 0.27 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.62 3iwt h GLY 113 CO -0.06 0.00 0.49 -2.75 0.00 0.00 0.00 176.54 174.23 3iwt h PHE 114 N 0.00 0.92 0.20 5.60 3.57 -1.72 -1.63 116.94 123.88 3iwt h PHE 114 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3iwt h PHE 114 Cb 0.42 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3iwt h PHE 114 CO 0.00 0.54 -0.16 0.77 -2.23 0.00 0.00 178.31 177.23 3iwt h SER 115 N 0.96 -0.41 0.07 0.41 0.02 -1.69 -0.70 113.55 112.20 3iwt h SER 115 Ca 0.31 0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 61.11 3iwt h SER 115 Cb -0.00 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3iwt h SER 115 CO -0.11 -0.25 -0.63 -2.24 -1.14 0.00 0.00 176.83 172.47 3iwt h ASP 116 N -0.37 0.63 -0.21 3.07 2.03 -1.74 -2.19 116.42 117.64 3iwt h ASP 116 Ca -0.01 -0.37 -0.10 0.00 -0.73 0.00 0.00 57.03 55.83 3iwt h ASP 116 Cb 0.33 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 3iwt h ASP 116 CO -0.02 1.10 -0.19 0.58 -1.03 0.00 0.00 179.24 179.68 3iwt h VAL 117 N 0.40 1.26 -0.69 4.15 2.07 -1.29 0.87 116.25 123.02 3iwt h VAL 117 Ca -0.01 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.21 3iwt h VAL 117 Cb 1.20 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3iwt h VAL 117 CO 0.12 0.41 0.17 0.15 0.02 0.00 0.00 177.57 178.44 3iwt h PHE 118 N 0.57 1.16 -0.13 1.57 3.57 -1.08 -2.06 116.94 120.54 3iwt h PHE 118 Ca 0.09 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 3iwt h PHE 118 Cb 0.64 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3iwt h PHE 118 CO 0.03 0.94 -0.26 0.00 -2.23 0.00 0.00 178.31 176.79 3iwt h ARG 119 N 1.04 0.23 0.23 1.11 3.08 -1.01 -1.17 114.38 117.88 3iwt h ARG 119 Ca 0.22 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3iwt h ARG 119 Cb 0.36 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3iwt h ARG 119 CO 0.00 0.48 -0.11 1.25 -1.07 0.00 0.00 179.97 180.52 3iwt h LEU 120 N 0.21 -0.26 -1.11 3.04 6.46 -0.36 0.12 115.31 123.41 3iwt h LEU 120 Ca 0.03 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.60 3iwt h LEU 120 Cb 0.58 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 3iwt h LEU 120 CO 0.04 -0.04 -0.21 -0.37 -0.62 0.00 0.00 178.44 177.24 3iwt h VAL 121 N -0.48 1.24 -0.33 1.05 -1.51 -1.34 -2.71 116.25 112.18 3iwt h VAL 121 Ca -0.03 -1.12 -0.04 0.00 -1.23 0.00 0.00 66.70 64.28 3iwt h VAL 121 Cb 0.36 1.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 3iwt h VAL 121 CO 0.05 0.35 0.06 0.28 -1.23 0.00 0.00 177.57 177.08 3iwt h SER 122 N 0.34 0.52 -0.84 4.19 0.02 -1.09 -2.87 113.55 113.81 3iwt h SER 122 Ca 0.06 -0.26 0.12 0.00 -0.84 0.00 0.00 61.79 60.87 3iwt h SER 122 Cb 0.57 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 3iwt h SER 122 CO 0.04 0.64 0.55 0.15 -1.14 0.00 0.00 176.83 177.07 3iwt h PHE 123 N 0.37 0.79 0.00 3.45 3.57 -0.56 0.05 116.94 124.61 3iwt h PHE 123 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3iwt h PHE 123 Cb 0.34 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.83 3iwt h PHE 123 CO 0.02 0.33 0.00 -0.91 -2.23 0.00 0.00 178.31 175.52 3iwt h ASN 124 N 0.70 0.00 -2.85 0.41 2.35 -1.26 -3.22 115.58 111.71 3iwt h ASN 124 Ca 0.41 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.59 3iwt h ASN 124 Cb 0.60 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 3iwt h ASN 124 CO -0.17 0.00 0.97 -0.62 -1.65 0.00 0.00 177.43 175.96 3iwt s ASP 125 N -5.28 6.80 0.45 5.81 -1.08 0.00 -4.88 116.67 118.49 3iwt s ASP 125 Ca 0.01 1.76 0.30 0.00 -0.52 0.00 0.00 52.55 54.11 3iwt s ASP 125 Cb 0.09 -2.54 1.62 0.00 -1.46 0.00 0.00 42.92 40.64 3iwt s ASP 125 CO 0.49 -0.88 1.92 1.55 0.52 0.00 0.00 175.17 178.77 3iwt h PRO 126 N 8.85 0.00 -0.01 4.34 0.13 -1.86 0.24 132.00 143.69 3iwt h PRO 126 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3iwt h PRO 126 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3iwt h PRO 126 CO 0.98 0.00 -0.00 0.39 -0.23 0.00 0.00 178.00 179.13 3iwt n GLU 127 N -2.56 1.64 0.02 0.86 1.02 -1.26 -4.54 120.64 115.82 3iwt n GLU 127 Ca -0.02 -0.93 -0.01 0.00 -0.02 0.00 0.00 57.16 56.18 3iwt n GLU 127 Cb 0.06 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3iwt n GLU 127 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3iwt n VAL 128 N 0.14 0.96 0.00 2.62 0.31 0.74 -5.02 118.33 118.07 3iwt n VAL 128 Ca 0.19 0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 3iwt n VAL 128 Cb 0.35 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 3iwt n VAL 128 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iwt n LYS 129 N -3.34 0.00 0.30 5.55 5.02 -0.55 -1.71 118.16 123.42 3iwt n LYS 129 Ca -0.01 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.47 3iwt n LYS 129 Cb 0.05 0.00 0.92 0.00 -0.02 0.00 0.00 35.03 35.97 3iwt n LYS 129 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwt h ALA 130 N -0.57 1.02 0.00 7.82 0.00 -1.93 -0.81 119.26 124.80 3iwt h ALA 130 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iwt h ALA 130 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iwt h ALA 130 CO 0.00 0.02 0.22 0.00 0.00 0.00 0.00 179.25 179.48 3iwt h ALA 131 N 1.99 1.17 -0.87 0.00 0.00 -1.73 -1.98 119.26 117.84 3iwt h ALA 131 Ca -0.00 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.11 3iwt h ALA 131 Cb 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3iwt h ALA 131 CO 0.00 -0.17 0.58 0.00 0.00 0.00 0.00 179.25 179.66 3iwt h ALA 132 N 1.46 2.27 0.00 0.00 0.00 -1.33 -0.31 119.26 121.35 3iwt h ALA 132 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iwt h ALA 132 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iwt h ALA 132 CO 0.00 -0.54 0.00 2.48 0.00 0.00 0.00 179.25 181.19 3iwt n TYR 133 N -4.48 0.00 -0.31 0.00 0.18 -0.75 -3.20 117.16 108.61 3iwt n TYR 133 Ca 0.18 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.04 3iwt n TYR 133 Cb 0.70 -0.09 0.31 0.00 -0.38 0.00 0.00 39.34 39.88 3iwt n TYR 133 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3iwt n LEU 134 N -1.09 4.19 -4.46 -3.48 4.77 -0.13 -4.90 117.00 111.91 3iwt n LEU 134 Ca 0.18 -2.11 -0.29 0.00 -0.03 0.00 0.00 56.01 53.75 3iwt n LEU 134 Cb 0.13 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 3iwt n LEU 134 CO 0.17 0.73 -0.52 0.28 -1.33 0.00 0.00 177.39 176.72 3iwt s THR 135 N -1.76 2.65 -0.14 -5.08 -1.32 -1.19 -4.17 115.64 104.63 3iwt s THR 135 Ca 0.45 -1.56 0.17 0.00 -1.21 0.00 0.00 61.69 59.54 3iwt s THR 135 Cb 0.29 -2.20 0.31 0.00 -1.51 0.00 0.00 72.50 69.39 3iwt s THR 135 CO 0.22 0.11 1.16 0.29 -2.21 0.00 0.00 174.62 174.20 3iwt n LYS 136 N 0.89 1.32 -1.50 7.08 5.02 0.37 -5.01 118.16 126.33 3iwt n LYS 136 Ca -0.16 -2.69 -0.53 0.00 -2.02 0.00 0.00 58.31 52.90 3iwt n LYS 136 Cb 0.53 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 3iwt n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwt n ALA 137 N -1.37 -2.63 -2.45 7.82 0.00 -1.26 -4.94 120.51 115.69 3iwt n ALA 137 Ca 0.16 0.52 -0.09 0.00 0.00 0.00 0.00 53.44 54.04 3iwt n ALA 137 Cb 0.65 -1.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.21 3iwt n ALA 137 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3iwt s SER 138 N -0.22 0.20 0.03 0.00 0.01 -0.74 -4.08 113.70 108.91 3iwt s SER 138 Ca 0.80 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 3iwt s SER 138 Cb -1.07 0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 3iwt s SER 138 CO 0.55 -0.74 -0.01 0.00 0.41 0.00 0.00 173.24 173.45 3iwt s ALA 139 N -3.93 0.23 0.28 1.44 0.00 -1.26 0.04 121.76 118.57 3iwt s ALA 139 Ca 0.11 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 3iwt s ALA 139 Cb 0.05 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.45 3iwt s ALA 139 CO -0.06 -0.27 0.77 0.41 0.00 0.00 0.00 175.76 176.61 3iwt n GLY 140 N 0.88 0.95 3.03 0.00 0.00 -0.26 -0.79 105.19 109.02 3iwt n GLY 140 Ca -0.19 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 3iwt n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwt s ILE 141 N -2.18 1.21 -0.11 -0.61 1.01 -0.49 -0.55 121.20 119.48 3iwt s ILE 141 Ca 0.16 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.30 3iwt s ILE 141 Cb -0.04 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.35 3iwt s ILE 141 CO 0.08 0.38 -0.07 -0.63 0.00 0.00 0.00 174.94 174.70 3iwt s ILE 142 N 0.75 1.00 0.00 2.92 1.01 -0.42 -0.11 121.20 126.35 3iwt s ILE 142 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.25 3iwt s ILE 142 Cb -0.16 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.29 3iwt s ILE 142 CO 0.03 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3iwt n GLY 143 N 4.95 3.38 1.42 6.18 0.00 -1.26 -1.70 105.19 118.17 3iwt n GLY 143 Ca -0.12 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 45.82 3iwt n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iwt n LYS 144 N 13.78 3.65 -4.30 1.61 4.76 -1.26 -4.98 118.16 131.41 3iwt n LYS 144 Ca 0.00 -3.02 -0.30 0.00 -2.87 0.00 0.00 58.31 52.12 3iwt n LYS 144 Cb 0.00 -2.05 -0.10 0.00 -1.84 0.00 0.00 35.03 31.04 3iwt n LYS 144 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3iwt s LYS 145 N -2.87 2.28 -0.01 1.97 1.02 -0.69 -4.87 119.74 116.57 3iwt s LYS 145 Ca 0.49 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 3iwt s LYS 145 Cb 0.39 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 3iwt s LYS 145 CO 0.11 0.54 0.11 0.42 -0.92 0.00 0.00 175.35 175.61 3iwt s ILE 146 N -1.16 4.95 -0.06 2.17 -1.09 -0.81 -1.30 121.20 123.90 3iwt s ILE 146 Ca 0.20 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 3iwt s ILE 146 Cb -0.11 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.51 3iwt s ILE 146 CO 0.12 0.35 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.40 3iwt s VAL 147 N -1.23 0.88 -0.15 2.92 1.01 0.29 -0.94 120.40 123.17 3iwt s VAL 147 Ca 0.24 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3iwt s VAL 147 Cb -0.12 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.43 3iwt s VAL 147 CO 0.15 0.30 -0.20 -0.31 0.00 0.00 0.00 175.10 175.04 3iwt s TYR 148 N 0.78 2.72 -0.45 5.22 2.02 0.30 -1.10 117.35 126.84 3iwt s TYR 148 Ca -0.13 -1.34 -0.11 0.00 -0.37 0.00 0.00 57.07 55.12 3iwt s TYR 148 Cb -0.15 -1.85 0.09 0.00 -0.40 0.00 0.00 41.96 39.64 3iwt s TYR 148 CO 0.02 -0.62 0.32 -0.51 -1.57 0.00 0.00 175.55 173.19 3iwt s LEU 149 N 0.92 5.41 0.25 -1.29 1.43 0.11 -0.92 118.68 124.59 3iwt s LEU 149 Ca -0.04 -1.56 0.06 0.00 -1.03 0.00 0.00 54.13 51.56 3iwt s LEU 149 Cb -0.15 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 3iwt s LEU 149 CO -0.04 -0.61 0.25 -0.76 0.23 0.00 0.00 176.35 175.42 3iwt s LEU 150 N 1.47 3.97 1.00 1.79 1.43 0.51 -1.78 118.68 127.07 3iwt s LEU 150 Ca 0.04 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3iwt s LEU 150 Cb -0.24 -2.51 0.19 0.00 0.03 0.00 0.00 46.19 43.66 3iwt s LEU 150 CO 0.03 -0.05 1.08 -2.84 0.23 0.00 0.00 176.35 174.80 3iwt s PRO 151 N -3.87 0.36 0.23 1.29 0.02 -1.26 -1.17 135.00 130.60 3iwt s PRO 151 Ca 0.33 0.93 -0.00 0.00 0.02 0.00 0.00 61.00 62.28 3iwt s PRO 151 Cb -0.08 -1.70 0.25 0.00 0.02 0.00 0.00 34.50 32.99 3iwt s PRO 151 CO 0.26 -2.89 1.61 0.78 -0.33 0.00 0.00 177.00 176.43 3iwt h GLY 152 N -2.03 0.56 -5.45 0.52 0.00 -1.86 -3.13 103.07 91.69 3iwt h GLY 152 Ca -0.53 -0.55 -0.62 0.00 0.00 0.00 0.00 47.33 45.63 3iwt h GLY 152 CO 0.51 0.50 0.91 -1.26 0.00 0.00 0.00 176.54 177.20 3iwt n SER 153 N -4.03 3.08 -0.33 0.19 2.88 -1.26 -4.73 113.62 109.42 3iwt n SER 153 Ca -0.02 1.04 0.07 0.00 -1.33 0.00 0.00 58.87 58.64 3iwt n SER 153 Cb 0.51 -1.36 0.27 0.00 -0.75 0.00 0.00 64.21 62.87 3iwt n SER 153 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3iwt h PRO 154 N 7.34 0.91 -0.42 -1.46 0.11 -1.94 -1.55 132.00 135.01 3iwt h PRO 154 Ca -0.47 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 3iwt h PRO 154 Cb 1.27 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3iwt h PRO 154 CO 0.91 0.61 -0.24 -0.44 -0.21 0.00 0.00 178.00 178.63 3iwt h ASP 155 N 0.94 0.87 -0.40 -2.05 3.32 -1.98 -1.45 116.42 115.67 3iwt h ASP 155 Ca 0.46 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3iwt h ASP 155 Cb 0.47 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3iwt h ASP 155 CO -0.22 1.07 0.09 0.00 -1.72 0.00 0.00 179.24 178.46 3iwt h ALA 156 N 0.99 0.53 -0.39 3.45 0.00 -1.79 -1.19 119.26 120.86 3iwt h ALA 156 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3iwt h ALA 156 Cb 0.78 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3iwt h ALA 156 CO 0.06 0.22 0.16 0.28 0.00 0.00 0.00 179.25 179.97 3iwt h VAL 157 N 0.51 1.19 -0.46 0.00 2.07 -1.20 -0.66 116.25 117.72 3iwt h VAL 157 Ca 0.13 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3iwt h VAL 157 Cb 0.32 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3iwt h VAL 157 CO 0.00 0.21 0.24 0.50 0.02 0.00 0.00 177.57 178.54 3iwt h LYS 158 N 0.48 0.46 -0.31 1.57 3.64 -1.18 -0.80 116.57 120.43 3iwt h LYS 158 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3iwt h LYS 158 Cb 0.18 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3iwt h LYS 158 CO -0.01 0.30 0.20 1.25 -2.27 0.00 0.00 179.45 178.92 3iwt h LEU 159 N 0.47 0.35 -0.29 5.20 5.85 -0.94 -1.38 115.31 124.58 3iwt h LEU 159 Ca 0.19 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3iwt h LEU 159 Cb 0.09 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3iwt h LEU 159 CO -0.13 0.26 0.17 0.00 -0.34 0.00 0.00 178.44 178.40 3iwt h ALA 160 N 1.11 0.37 0.25 1.25 0.00 -0.81 -1.54 119.26 119.89 3iwt h ALA 160 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3iwt h ALA 160 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3iwt h ALA 160 CO -0.02 -0.13 -0.12 -0.07 0.00 0.00 0.00 179.25 178.91 3iwt h LEU 161 N 0.37 -0.29 -0.41 0.00 3.38 -0.97 -0.78 115.31 116.61 3iwt h LEU 161 Ca 0.10 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3iwt h LEU 161 Cb 0.02 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3iwt h LEU 161 CO -0.02 -0.15 -0.21 0.11 0.09 0.00 0.00 178.44 178.26 3iwt h LYS 162 N -0.40 0.87 0.18 1.13 1.57 -1.26 0.45 116.57 119.11 3iwt h LYS 162 Ca -0.03 -0.38 -0.35 0.00 -1.87 0.00 0.00 60.65 58.01 3iwt h LYS 162 Cb 0.30 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.60 3iwt h LYS 162 CO 0.06 1.03 -1.75 0.93 -0.57 0.00 0.00 179.45 179.15 3iwt h GLU 163 N 0.68 0.39 0.00 3.15 4.39 -1.34 -3.41 114.58 118.43 3iwt h GLU 163 Ca 0.09 -0.66 -0.01 0.00 0.34 0.00 0.00 59.36 59.12 3iwt h GLU 163 Cb 0.77 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3iwt h GLU 163 CO 0.06 1.31 -1.04 1.28 -1.16 0.00 0.00 179.01 179.46 3iwt n LEU 164 N -3.58 2.80 -0.06 1.33 4.77 -0.46 -4.74 117.00 117.07 3iwt n LEU 164 Ca -0.24 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.70 3iwt n LEU 164 Cb 1.08 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 42.12 3iwt n LEU 164 CO 0.51 0.48 -0.01 0.40 -1.33 0.00 0.00 177.39 177.45 3iwt h ILE 165 N -0.00 0.28 -0.65 -0.08 2.04 -1.17 -3.31 117.51 114.63 3iwt h ILE 165 Ca -0.01 -1.23 0.09 0.00 1.00 0.00 0.00 64.86 64.71 3iwt h ILE 165 Cb 1.02 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 3iwt h ILE 165 CO -0.00 0.10 0.28 -0.07 0.00 0.00 0.00 178.15 178.46 3iwt h LEU 166 N -1.00 0.33 -1.27 1.44 3.38 -1.15 -0.60 115.31 116.44 3iwt h LEU 166 Ca -0.01 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3iwt h LEU 166 Cb 0.25 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3iwt h LEU 166 CO -0.01 0.19 -0.31 -0.65 0.09 0.00 0.00 178.44 177.76 3iwt h PRO 167 N 0.49 0.00 0.00 1.13 0.11 -1.79 -3.37 132.00 128.57 3iwt h PRO 167 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3iwt h PRO 167 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3iwt h PRO 167 CO -0.28 0.31 -0.47 0.39 -0.21 0.00 0.00 178.00 177.74 3iwt n GLU 168 N -3.72 3.88 -0.05 1.05 -0.58 -1.07 -4.78 120.64 115.37 3iwt n GLU 168 Ca -0.01 -0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.72 3iwt n GLU 168 Cb 0.41 -0.75 0.26 0.00 -0.57 0.00 0.00 31.44 30.80 3iwt n GLU 168 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 3iwt h VAL 169 N 0.00 1.20 0.12 2.62 3.04 -1.28 -1.74 116.25 120.22 3iwt h VAL 169 Ca 0.00 -0.75 0.01 0.00 -1.01 0.00 0.00 66.70 64.95 3iwt h VAL 169 Cb 0.04 0.81 -0.02 0.00 -2.01 0.00 0.00 31.29 30.10 3iwt h VAL 169 CO 0.00 0.27 -0.18 1.23 -1.01 0.00 0.00 177.57 177.88 3iwt h GLY 170 N 0.87 -0.33 1.26 3.17 0.00 -1.82 -0.68 103.07 105.53 3iwt h GLY 170 Ca 0.14 0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 3iwt h GLY 170 CO 0.00 -0.17 0.08 0.84 0.00 0.00 0.00 176.54 177.29 3iwt h HIS 171 N -0.35 0.96 -0.33 5.60 6.17 -1.83 -1.95 115.15 123.41 3iwt h HIS 171 Ca 0.02 -0.12 -0.02 0.00 0.71 0.00 0.00 60.37 60.96 3iwt h HIS 171 Cb 0.36 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.01 3iwt h HIS 171 CO -0.17 0.83 0.13 1.25 0.71 0.00 0.00 177.93 180.69 3iwt h LEU 172 N 0.86 0.46 -0.31 0.26 5.85 -1.15 0.71 115.31 121.98 3iwt h LEU 172 Ca 0.17 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3iwt h LEU 172 Cb 0.40 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3iwt h LEU 172 CO 0.01 0.50 0.17 0.58 -0.34 0.00 0.00 178.44 179.36 3iwt h VAL 173 N 0.39 1.02 -0.22 1.05 2.07 -0.98 -0.98 116.25 118.60 3iwt h VAL 173 Ca 0.11 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3iwt h VAL 173 Cb 0.18 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3iwt h VAL 173 CO -0.01 0.06 -0.19 0.22 0.02 0.00 0.00 177.57 177.67 3iwt h TYR 174 N 0.35 -0.49 -0.20 1.57 3.20 -1.23 -2.46 116.97 117.71 3iwt h TYR 174 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3iwt h TYR 174 Cb 0.01 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3iwt h TYR 174 CO -0.08 -0.27 0.13 1.25 -1.64 0.00 0.00 178.16 177.55 3iwt h LEU 175 N -0.20 0.24 -2.01 2.82 5.85 -0.55 -1.82 115.31 119.64 3iwt h LEU 175 Ca 0.13 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3iwt h LEU 175 Cb 0.39 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3iwt h LEU 175 CO -0.34 0.19 -0.08 0.58 -0.34 0.00 0.00 178.44 178.45 3iwt h VAL 176 N 0.26 0.80 -0.15 1.05 2.07 -1.12 -2.48 116.25 116.68 3iwt h VAL 176 Ca 0.07 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3iwt h VAL 176 Cb -0.01 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3iwt h VAL 176 CO -0.01 0.08 0.00 0.54 0.02 0.00 0.00 177.57 178.19 3iwt n ARG 177 N -4.06 2.36 0.00 1.57 1.74 -0.89 -4.92 116.66 112.45 3iwt n ARG 177 Ca -0.03 -2.00 0.15 0.00 -0.77 0.00 0.00 57.85 55.20 3iwt n ARG 177 Cb 0.17 -1.48 0.86 0.00 -1.02 0.00 0.00 32.46 30.99 3iwt n ARG 177 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98