#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 4.60 0.06 0.54 2.20 -1.26 -5.02 119.74 120.87 3iwt s LYS 14 Ca 0.00 1.72 -0.31 0.00 -0.36 0.00 0.00 55.97 57.03 3iwt s LYS 14 Cb 0.00 -3.27 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 3iwt s LYS 14 CO 0.00 0.10 1.42 0.45 -0.36 0.00 0.00 175.35 176.95 3iwt s SER 15 N -0.21 6.82 0.21 1.43 0.15 -1.26 -4.93 113.70 115.91 3iwt s SER 15 Ca 0.49 2.25 0.08 0.00 0.70 0.00 0.00 55.95 59.46 3iwt s SER 15 Cb -0.30 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.40 3iwt s SER 15 CO 0.35 -0.70 0.04 -0.76 1.20 0.00 0.00 173.24 173.38 3iwt s LEU 16 N 1.76 3.41 -0.25 3.45 1.43 -1.26 -4.95 118.68 122.27 3iwt s LEU 16 Ca 0.65 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 53.23 3iwt s LEU 16 Cb -0.35 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 3iwt s LEU 16 CO 0.29 0.04 0.16 0.20 0.23 0.00 0.00 176.35 177.27 3iwt s ASN 17 N -3.30 5.97 0.13 2.29 0.01 -1.26 -1.02 114.94 117.76 3iwt s ASN 17 Ca 0.30 0.04 0.08 0.00 -0.71 0.00 0.00 52.86 52.57 3iwt s ASN 17 Cb -0.08 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 3iwt s ASN 17 CO 0.20 0.02 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.32 3iwt s PHE 18 N 1.30 2.62 -0.11 2.20 0.08 0.27 -0.57 117.98 123.77 3iwt s PHE 18 Ca 0.07 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.92 3iwt s PHE 18 Cb -0.14 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 40.97 3iwt s PHE 18 CO 0.06 0.43 -0.16 -0.47 -0.10 0.00 0.00 175.22 174.99 3iwt s TYR 19 N -1.31 2.00 -0.16 0.36 5.04 -0.32 -0.54 117.35 122.43 3iwt s TYR 19 Ca 0.21 -0.93 -0.03 0.00 -2.44 0.00 0.00 57.07 53.87 3iwt s TYR 19 Cb -0.10 -1.44 -0.02 0.00 0.35 0.00 0.00 41.96 40.75 3iwt s TYR 19 CO 0.12 -0.47 -0.05 0.08 -1.34 0.00 0.00 175.55 173.90 3iwt s VAL 20 N 0.93 3.76 -0.15 3.14 1.01 -0.30 -1.24 120.40 127.55 3iwt s VAL 20 Ca -0.08 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3iwt s VAL 20 Cb -0.15 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3iwt s VAL 20 CO -0.01 0.49 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 3iwt s ILE 21 N 0.49 1.68 -0.19 2.22 1.01 -0.05 -1.61 121.20 124.75 3iwt s ILE 21 Ca -0.04 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 3iwt s ILE 21 Cb -0.14 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3iwt s ILE 21 CO 0.03 0.48 0.10 -0.89 0.00 0.00 0.00 174.94 174.65 3iwt s THR 22 N 1.38 5.07 -0.33 2.92 2.01 -0.08 -1.05 115.64 125.56 3iwt s THR 22 Ca 0.04 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.12 3iwt s THR 22 Cb -0.13 -3.30 0.08 0.00 0.01 0.00 0.00 72.50 69.16 3iwt s THR 22 CO -0.10 0.44 0.04 -0.63 -0.69 0.00 0.00 174.62 173.68 3iwt s ILE 23 N 0.42 2.61 -0.28 1.82 1.01 -0.27 -1.14 121.20 125.37 3iwt s ILE 23 Ca 0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 60.65 58.73 3iwt s ILE 23 Cb -0.12 -2.73 0.16 0.00 0.01 0.00 0.00 42.46 39.78 3iwt s ILE 23 CO -0.00 -0.41 0.54 -0.55 0.00 0.00 0.00 174.94 174.52 3iwt s SER 24 N 1.21 -0.89 0.14 3.58 0.15 0.12 -4.34 113.70 113.67 3iwt s SER 24 Ca 0.03 0.79 -0.16 0.00 0.70 0.00 0.00 55.95 57.31 3iwt s SER 24 Cb -0.20 1.87 -0.00 0.00 -1.71 0.00 0.00 66.02 65.98 3iwt s SER 24 CO -0.05 -0.26 1.75 0.74 1.20 0.00 0.00 173.24 176.61 3iwt h THR 25 N 6.06 1.15 -0.42 6.45 2.02 -1.88 -0.92 112.91 125.36 3iwt h THR 25 Ca -0.21 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.60 3iwt h THR 25 Cb 1.15 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3iwt h THR 25 CO 0.24 0.15 0.27 0.77 0.37 0.00 0.00 175.52 177.33 3iwt h SER 26 N 0.50 0.47 -0.55 4.18 4.64 -1.97 -0.41 113.55 120.42 3iwt h SER 26 Ca 0.14 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 3iwt h SER 26 Cb 0.05 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3iwt h SER 26 CO -0.02 0.34 -0.11 0.03 -0.87 0.00 0.00 176.83 176.20 3iwt h ARG 27 N 0.56 1.03 -0.80 4.77 3.08 -1.95 -2.61 114.38 118.46 3iwt h ARG 27 Ca 0.16 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 3iwt h ARG 27 Cb -0.05 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3iwt h ARG 27 CO -0.04 1.08 0.48 -0.92 -1.07 0.00 0.00 179.97 179.49 3iwt h TYR 28 N 0.91 1.06 -0.43 3.04 3.20 -0.83 -0.66 116.97 123.26 3iwt h TYR 28 Ca 0.14 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3iwt h TYR 28 Cb 0.68 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3iwt h TYR 28 CO 0.05 0.71 0.06 0.93 -1.64 0.00 0.00 178.16 178.27 3iwt h GLU 29 N 1.10 0.65 -0.46 1.82 4.39 -0.96 -1.48 114.58 119.64 3iwt h GLU 29 Ca 0.29 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 3iwt h GLU 29 Cb -0.04 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3iwt h GLU 29 CO -0.05 0.63 -0.01 0.87 -1.16 0.00 0.00 179.01 179.28 3iwt h LYS 30 N 0.63 0.82 -0.70 2.33 1.57 -1.06 -3.14 116.57 117.01 3iwt h LYS 30 Ca 0.14 -0.27 0.09 0.00 -1.87 0.00 0.00 60.65 58.74 3iwt h LYS 30 Cb 0.30 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 3iwt h LYS 30 CO 0.00 0.88 0.35 1.25 -0.57 0.00 0.00 179.45 181.36 3iwt h LEU 31 N 0.66 0.47 -1.69 2.94 5.85 -0.40 -0.52 115.31 122.61 3iwt h LEU 31 Ca 0.13 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3iwt h LEU 31 Cb 0.52 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3iwt h LEU 31 CO 0.03 0.27 0.22 -0.07 -0.34 0.00 0.00 178.44 178.55 3iwt h LEU 32 N 0.61 0.36 -1.60 2.25 3.38 -1.25 -0.76 115.31 118.30 3iwt h LEU 32 Ca 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3iwt h LEU 32 Cb 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iwt h LEU 32 CO -0.26 0.26 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3iwt n LYS 33 N -4.49 2.07 -3.87 1.13 5.02 -0.65 -4.94 118.16 112.43 3iwt n LYS 33 Ca 0.02 -1.58 -0.30 0.00 -2.02 0.00 0.00 58.31 54.43 3iwt n LYS 33 Cb 0.08 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.84 -5.39 -3.23 1.97 5.02 -0.29 -4.99 118.16 112.10 3iwt n LYS 34 Ca 0.17 0.60 -0.30 0.00 -2.02 0.00 0.00 58.31 56.76 3iwt n LYS 34 Cb 0.47 -5.48 -0.04 0.00 -0.02 0.00 0.00 35.03 29.95 3iwt n LYS 34 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3iwt s GLU 35 N -6.57 3.75 0.46 1.97 2.02 -0.33 -5.01 118.70 114.98 3iwt s GLU 35 Ca 0.65 0.25 -0.25 0.00 0.02 0.00 0.00 54.97 55.64 3iwt s GLU 35 Cb -0.33 -2.57 -0.08 0.00 0.10 0.00 0.00 34.13 31.26 3iwt s GLU 35 CO 0.80 0.18 1.41 -2.14 0.02 0.00 0.00 175.26 175.53 3iwt s PRO 36 N -3.37 3.64 -0.01 0.39 0.02 -1.26 -4.49 135.00 129.92 3iwt s PRO 36 Ca 0.47 2.38 0.04 0.00 0.02 0.00 0.00 61.00 63.91 3iwt s PRO 36 Cb -0.11 -2.61 -0.01 0.00 0.02 0.00 0.00 34.50 31.79 3iwt s PRO 36 CO 0.27 -0.84 -0.14 0.42 -0.33 0.00 0.00 177.00 176.38 3iwt s ILE 37 N -1.22 1.08 -0.19 2.83 1.01 -1.26 -4.97 121.20 118.47 3iwt s ILE 37 Ca 0.62 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 3iwt s ILE 37 Cb -0.43 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3iwt s ILE 37 CO 0.55 0.31 -0.07 -0.69 0.00 0.00 0.00 174.94 175.04 3iwt s VAL 38 N -0.28 3.29 -0.79 2.92 1.01 -1.26 -5.05 120.40 120.24 3iwt s VAL 38 Ca 0.05 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3iwt s VAL 38 Cb -0.06 -2.47 0.19 0.00 0.00 0.00 0.00 36.38 34.05 3iwt s VAL 38 CO -0.00 0.46 0.62 -0.62 0.00 0.00 0.00 175.10 175.55 3iwt s ASP 39 N 1.14 5.32 0.22 3.32 2.15 -1.26 -4.95 116.67 122.61 3iwt s ASP 39 Ca 0.02 -3.83 -0.06 0.00 0.43 0.00 0.00 52.55 49.11 3iwt s ASP 39 Cb -0.14 -1.75 0.19 0.00 -0.30 0.00 0.00 42.92 40.92 3iwt s ASP 39 CO -0.01 -0.12 1.69 1.05 -0.17 0.00 0.00 175.17 177.61 3iwt h GLU 40 N 5.61 0.93 -0.18 4.34 9.09 -1.97 -1.54 114.58 130.86 3iwt h GLU 40 Ca 0.16 -0.29 -0.08 0.00 0.05 0.00 0.00 59.36 59.20 3iwt h GLU 40 Cb 0.77 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.78 3iwt h GLU 40 CO 0.78 0.93 -0.20 0.77 0.05 0.00 0.00 179.01 181.34 3iwt h SER 41 N 0.85 0.48 -0.97 3.06 0.02 -1.92 -0.78 113.55 114.29 3iwt h SER 41 Ca 0.15 -0.49 0.04 0.00 -0.84 0.00 0.00 61.79 60.65 3iwt h SER 41 Cb 0.54 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 3iwt h SER 41 CO 0.03 0.88 0.63 1.23 -1.14 0.00 0.00 176.83 178.46 3iwt h GLY 42 N 0.10 1.43 1.18 -3.77 0.00 -1.93 -2.11 103.07 97.97 3iwt h GLY 42 Ca 0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 3iwt h GLY 42 CO 0.05 0.39 -0.26 -0.55 0.00 0.00 0.00 176.54 176.17 3iwt h ASP 43 N 1.20 0.96 -0.47 0.19 3.32 -1.10 -1.64 116.42 118.88 3iwt h ASP 43 Ca 0.39 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3iwt h ASP 43 Cb 0.04 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3iwt h ASP 43 CO -0.13 1.16 0.30 0.40 -1.72 0.00 0.00 179.24 179.24 3iwt h ILE 44 N 0.79 1.09 -0.00 0.35 2.04 -0.91 -0.03 117.51 120.83 3iwt h ILE 44 Ca 0.09 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3iwt h ILE 44 Cb 0.83 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3iwt h ILE 44 CO 0.07 0.11 -0.00 0.40 0.00 0.00 0.00 178.15 178.73 3iwt h ILE 45 N 0.60 0.99 -0.32 -0.67 2.04 -1.20 -1.30 117.51 117.66 3iwt h ILE 45 Ca 0.18 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.06 3iwt h ILE 45 Cb -0.03 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3iwt h ILE 45 CO -0.06 0.00 0.18 0.11 0.00 0.00 0.00 178.15 178.38 3iwt h LYS 46 N -0.00 0.35 -0.28 2.37 1.57 -1.15 -1.63 116.57 117.80 3iwt h LYS 46 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3iwt h LYS 46 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3iwt h LYS 46 CO -0.00 0.23 0.09 0.37 -0.57 0.00 0.00 179.45 179.57 3iwt h GLN 47 N 0.36 0.43 -0.68 3.15 5.75 -0.86 -1.58 115.11 121.69 3iwt h GLN 47 Ca 0.13 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 3iwt h GLN 47 Cb 0.01 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3iwt h GLN 47 CO -0.07 0.48 0.20 -0.07 -2.65 0.00 0.00 178.83 176.72 3iwt h LEU 48 N 0.29 0.99 -0.05 -2.39 3.38 -1.13 -0.70 115.31 115.71 3iwt h LEU 48 Ca 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3iwt h LEU 48 Cb 0.22 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3iwt h LEU 48 CO -0.00 0.94 0.03 -0.07 0.09 0.00 0.00 178.44 179.43 3iwt h LEU 49 N 0.99 0.06 -0.87 1.67 3.38 -1.14 -2.44 115.31 116.96 3iwt h LEU 49 Ca 0.22 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3iwt h LEU 49 Cb 0.31 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3iwt h LEU 49 CO -0.01 0.08 -0.12 0.16 0.09 0.00 0.00 178.44 178.64 3iwt h ILE 50 N 0.02 1.25 0.00 1.22 3.07 -1.13 -1.49 117.51 120.45 3iwt h ILE 50 Ca 0.02 -1.15 -0.01 0.00 1.55 0.00 0.00 64.86 65.26 3iwt h ILE 50 Cb 0.04 1.09 -0.00 0.00 -0.27 0.00 0.00 36.82 37.67 3iwt h ILE 50 CO -0.00 0.39 -0.06 -0.33 -1.05 0.00 0.00 178.15 177.10 3iwt h GLU 51 N 0.64 0.00 -0.66 0.16 5.08 -1.02 -1.85 114.58 116.92 3iwt h GLU 51 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3iwt h GLU 51 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3iwt h GLU 51 CO 0.04 0.06 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 3iwt n ASN 52 N -3.41 4.61 0.00 1.42 3.02 -0.85 -4.95 115.26 115.10 3iwt n ASN 52 Ca -0.02 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.13 3iwt n ASN 52 Cb 0.20 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 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 1.18 0.68 3.96 7.41 0.00 -0.69 -5.00 105.19 112.73 3iwt n GLY 53 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.29 2.96 0.07 1.61 3.76 -0.62 -4.50 115.29 116.29 3iwt s HIS 54 Ca 0.00 0.10 0.08 0.00 -0.15 0.00 0.00 55.06 55.09 3iwt s HIS 54 Cb 0.00 -2.68 -0.04 0.00 1.11 0.00 0.00 32.58 30.97 3iwt s HIS 54 CO 0.00 -0.79 -0.17 0.15 -0.85 0.00 0.00 174.74 173.08 3iwt s LYS 55 N -4.76 2.00 -0.39 1.40 -0.14 -0.19 -4.12 119.74 113.55 3iwt s LYS 55 Ca 0.55 -1.04 -0.12 0.00 -1.36 0.00 0.00 55.97 54.00 3iwt s LYS 55 Cb -0.10 -2.19 0.03 0.00 -1.68 0.00 0.00 37.83 33.89 3iwt s LYS 55 CO 0.39 0.52 0.23 0.42 -0.76 0.00 0.00 175.35 176.15 3iwt s ILE 56 N -1.04 4.66 -2.09 2.17 -1.09 -1.26 -0.56 121.20 121.99 3iwt s ILE 56 Ca 0.17 -0.89 0.18 0.00 -2.23 0.00 0.00 60.65 57.88 3iwt s ILE 56 Cb -0.11 -3.63 0.10 0.00 -1.58 0.00 0.00 42.46 37.25 3iwt s ILE 56 CO 0.08 -0.28 1.03 2.30 -1.23 0.00 0.00 174.94 176.84 3iwt n ILE 57 N 5.02 0.00 -3.49 2.92 -5.35 0.30 -4.94 119.36 113.83 3iwt n ILE 57 Ca -0.12 -0.45 -0.11 0.00 -0.27 0.00 0.00 62.75 61.81 3iwt n ILE 57 Cb 0.46 1.33 -0.03 0.00 -1.74 0.00 0.00 39.64 39.66 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 -1.67 -0.51 -0.15 3.28 0.00 -1.21 -5.01 107.32 102.06 3iwt s GLY 58 Ca 0.19 1.01 -0.13 0.00 0.00 0.00 0.00 44.72 45.79 3iwt s GLY 58 CO 0.29 0.45 0.39 -0.47 0.00 0.00 0.00 173.10 173.76 3iwt s TYR 59 N -2.82 -0.43 0.07 1.90 5.04 -1.26 -1.15 117.35 118.71 3iwt s TYR 59 Ca 0.01 1.04 -0.08 0.00 -2.44 0.00 0.00 57.07 55.60 3iwt s TYR 59 Cb -0.01 0.15 -0.00 0.00 0.35 0.00 0.00 41.96 42.45 3iwt s TYR 59 CO -0.06 -0.21 0.17 -1.54 -1.34 0.00 0.00 175.55 172.57 3iwt s SER 60 N 0.25 0.13 -0.07 4.32 1.04 -0.63 -4.97 113.70 113.77 3iwt s SER 60 Ca -0.00 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.83 3iwt s SER 60 Cb -0.03 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.42 3iwt s SER 60 CO 0.00 -0.67 -0.08 -0.22 0.98 0.00 0.00 173.24 173.25 3iwt s LEU 61 N -2.65 1.40 0.07 2.42 2.96 -1.26 -0.90 118.68 120.72 3iwt s LEU 61 Ca 0.02 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3iwt s LEU 61 Cb 0.03 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 3iwt s LEU 61 CO -0.09 -0.04 -0.05 0.68 -1.32 0.00 0.00 176.35 175.53 3iwt s VAL 62 N 1.01 0.50 0.46 1.68 -7.23 -0.29 -4.94 120.40 111.59 3iwt s VAL 62 Ca -0.09 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 3iwt s VAL 62 Cb -0.15 -1.43 0.10 0.00 0.56 0.00 0.00 36.38 35.46 3iwt s VAL 62 CO -0.00 -0.83 0.62 -0.81 -0.31 0.00 0.00 175.10 173.77 3iwt n PRO 63 N 0.27 -0.20 -1.39 4.82 -0.04 -1.26 -0.71 135.00 136.49 3iwt n PRO 63 Ca -0.15 -1.31 -0.39 0.00 -0.04 0.00 0.00 63.50 61.62 3iwt n PRO 63 Cb 0.60 -0.53 -0.02 0.00 -0.04 0.00 0.00 33.50 33.51 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 -3.18 5.61 -4.04 3.54 8.00 -1.26 -4.63 116.55 120.59 3iwt n ASP 64 Ca 0.09 -2.66 -0.26 0.00 0.71 0.00 0.00 54.79 52.66 3iwt n ASP 64 Cb 0.32 -1.49 -0.17 0.00 -0.02 0.00 0.00 41.12 39.76 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 3.06 2.10 0.09 -2.24 2.15 -1.26 -4.96 116.67 115.62 3iwt s ASP 65 Ca 0.56 -0.36 -0.26 0.00 0.43 0.00 0.00 52.55 52.92 3iwt s ASP 65 Cb 0.15 -0.95 -0.14 0.00 -0.30 0.00 0.00 42.92 41.68 3iwt s ASP 65 CO -0.05 0.03 1.70 0.50 -0.17 0.00 0.00 175.17 177.18 3iwt h LYS 66 N 7.16 -0.28 -0.56 4.34 3.64 -1.96 -0.46 116.57 128.46 3iwt h LYS 66 Ca -0.30 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.12 3iwt h LYS 66 Cb 1.18 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 3iwt h LYS 66 CO 0.47 -0.19 0.35 0.82 -2.27 0.00 0.00 179.45 178.64 3iwt h ILE 67 N -0.29 1.11 -0.43 2.00 2.04 -1.98 -0.58 117.51 119.38 3iwt h ILE 67 Ca -0.01 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3iwt h ILE 67 Cb 0.25 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3iwt h ILE 67 CO 0.00 0.13 -0.07 0.11 0.00 0.00 0.00 178.15 178.33 3iwt h LYS 68 N 0.71 0.74 -0.22 2.37 1.57 -1.85 -0.44 116.57 119.45 3iwt h LYS 68 Ca 0.21 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3iwt h LYS 68 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3iwt h LYS 68 CO -0.07 0.79 0.00 0.82 -0.57 0.00 0.00 179.45 180.43 3iwt h ILE 69 N 0.68 1.25 -0.46 1.86 2.04 -0.88 -0.76 117.51 121.25 3iwt h ILE 69 Ca 0.12 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.12 3iwt h ILE 69 Cb 0.52 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3iwt h ILE 69 CO 0.03 0.27 0.29 -0.07 0.00 0.00 0.00 178.15 178.67 3iwt h LEU 70 N 0.15 0.49 -0.63 1.44 3.38 -0.83 -2.10 115.31 117.21 3iwt h LEU 70 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3iwt h LEU 70 Cb 0.39 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3iwt h LEU 70 CO 0.01 0.35 0.35 0.50 0.09 0.00 0.00 178.44 179.75 3iwt h LYS 71 N 0.59 0.87 -0.55 1.13 3.64 -0.96 -0.79 116.57 120.49 3iwt h LYS 71 Ca 0.17 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3iwt h LYS 71 Cb -0.04 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.56 3iwt h LYS 71 CO -0.06 0.65 0.30 0.00 -2.27 0.00 0.00 179.45 178.07 3iwt h ALA 72 N 1.17 0.72 -0.32 5.00 0.00 -0.66 0.35 119.26 125.52 3iwt h ALA 72 Ca 0.22 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 3iwt h ALA 72 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3iwt h ALA 72 CO -0.04 -0.03 -0.42 0.74 0.00 0.00 0.00 179.25 179.50 3iwt h PHE 73 N 0.57 1.03 -0.23 0.00 0.04 -1.20 -2.66 116.94 114.50 3iwt h PHE 73 Ca 0.24 -0.33 -0.15 0.00 2.80 0.00 0.00 57.97 60.53 3iwt h PHE 73 Cb 0.13 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3iwt h PHE 73 CO -0.09 1.14 -0.47 1.79 -0.60 0.00 0.00 178.31 180.09 3iwt h THR 74 N 0.63 1.30 -0.80 -1.55 1.35 -0.90 0.60 112.91 113.54 3iwt h THR 74 Ca 0.04 -1.67 0.05 0.00 -0.55 0.00 0.00 66.41 64.28 3iwt h THR 74 Cb 1.01 1.63 -0.06 0.00 -1.73 0.00 0.00 68.15 69.01 3iwt h THR 74 CO 0.10 0.53 0.50 0.44 -0.25 0.00 0.00 175.52 176.83 3iwt h ASP 75 N 0.49 0.79 -0.30 5.36 3.32 -0.94 -1.28 116.42 123.86 3iwt h ASP 75 Ca 0.03 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3iwt h ASP 75 Cb 1.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3iwt h ASP 75 CO 0.09 0.52 -0.11 0.00 -1.72 0.00 0.00 179.24 178.03 3iwt h ALA 76 N 1.37 0.41 0.00 3.45 0.00 -1.09 -3.05 119.26 120.35 3iwt h ALA 76 Ca 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3iwt h ALA 76 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3iwt h ALA 76 CO -0.15 0.27 -0.03 -0.07 0.00 0.00 0.00 179.25 179.27 3iwt h LEU 77 N 0.36 0.00 0.00 0.00 3.38 -0.66 -2.23 115.31 116.16 3iwt h LEU 77 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3iwt h LEU 77 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3iwt h LEU 77 CO 0.04 0.03 0.00 -1.20 0.09 0.00 0.00 178.44 177.40 3iwt n SER 78 N -4.28 0.00 -4.52 -0.43 7.64 -0.50 -4.62 113.62 106.90 3iwt n SER 78 Ca -0.03 0.34 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 3iwt n SER 78 Cb 0.12 -0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 62.80 3iwt n SER 78 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3iwt s ILE 79 N -2.87 4.94 0.43 0.44 1.01 -0.84 -4.94 121.20 119.37 3iwt s ILE 79 Ca 0.14 0.09 0.10 0.00 0.00 0.00 0.00 60.65 60.98 3iwt s ILE 79 Cb 0.15 -4.10 0.28 0.00 0.01 0.00 0.00 42.46 38.80 3iwt s ILE 79 CO 0.39 -0.44 2.06 -0.78 0.00 0.00 0.00 174.94 176.17 3iwt h ASP 80 N 8.71 0.38 1.01 3.58 3.58 -1.87 -1.71 116.42 130.10 3iwt h ASP 80 Ca -0.26 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.18 3iwt h ASP 80 Cb 1.11 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.07 3iwt h ASP 80 CO 0.84 0.26 0.00 -0.33 -2.88 0.00 0.00 179.24 177.13 3iwt h GLU 81 N 0.44 0.00 -6.55 0.28 3.07 -1.94 -3.44 114.58 106.43 3iwt h GLU 81 Ca 0.16 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.49 3iwt h GLU 81 Cb 0.09 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.03 3iwt h GLU 81 CO -0.04 0.00 0.76 0.08 -1.40 0.00 0.00 179.01 178.41 3iwt s VAL 82 N -3.41 3.20 -0.24 3.13 1.01 -0.64 -4.63 120.40 118.82 3iwt s VAL 82 Ca 0.04 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.89 3iwt s VAL 82 Cb 0.09 -3.54 -0.19 0.00 0.00 0.00 0.00 36.38 32.74 3iwt s VAL 82 CO 0.49 0.06 -0.14 0.47 0.00 0.00 0.00 175.10 175.98 3iwt n ASP 83 N 4.03 1.87 -3.84 3.32 8.00 0.26 -4.85 116.55 125.33 3iwt n ASP 83 Ca 0.12 -0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 3iwt n ASP 83 Cb 0.42 -0.38 -0.15 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.52 -0.02 -0.15 2.53 1.01 -0.91 -1.75 120.40 118.60 3iwt s VAL 84 Ca -0.32 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3iwt s VAL 84 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 36.38 36.42 3iwt s VAL 84 CO 0.63 0.03 -0.10 -0.63 0.00 0.00 0.00 175.10 175.03 3iwt s ILE 85 N 0.30 3.30 -0.12 2.22 1.01 0.22 -1.17 121.20 126.97 3iwt s ILE 85 Ca -0.03 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.08 3iwt s ILE 85 Cb -0.04 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3iwt s ILE 85 CO -0.01 0.51 -0.18 -0.63 0.00 0.00 0.00 174.94 174.63 3iwt s ILE 86 N 0.46 1.73 0.15 2.92 1.01 -0.37 -0.57 121.20 126.53 3iwt s ILE 86 Ca -0.07 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.87 3iwt s ILE 86 Cb -0.15 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3iwt s ILE 86 CO 0.04 0.49 -0.06 -0.94 0.00 0.00 0.00 174.94 174.47 3iwt s SER 87 N 0.86 4.53 -0.09 3.58 1.04 -0.34 -0.87 113.70 122.40 3iwt s SER 87 Ca -0.08 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 55.93 3iwt s SER 87 Cb -0.15 -0.89 0.02 0.00 0.10 0.00 0.00 66.02 65.09 3iwt s SER 87 CO -0.01 0.13 -0.12 0.28 0.98 0.00 0.00 173.24 174.50 3iwt s THR 88 N -1.54 1.24 0.00 2.02 -1.32 -0.22 -0.45 115.64 115.38 3iwt s THR 88 Ca 0.25 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 3iwt s THR 88 Cb -0.10 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 3iwt s THR 88 CO 0.16 0.39 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 3iwt n GLY 89 N 4.27 3.38 2.08 6.08 0.00 0.09 -1.11 105.19 119.98 3iwt n GLY 89 Ca -0.19 -1.68 -0.04 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.55 0.36 1.03 -0.02 0.00 -1.26 -4.73 105.19 100.02 3iwt n GLY 90 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.66 1.70 -1.67 2.61 -2.24 -1.26 -1.88 114.28 107.88 3iwt n THR 91 Ca -0.04 -1.35 0.00 0.00 -2.27 0.00 0.00 64.05 60.39 3iwt n THR 91 Cb 0.40 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.38 3.48 0.60 3.38 0.00 -1.26 -0.70 105.19 111.05 3iwt n GLY 92 Ca 0.19 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.39 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 0.58 -1.77 1.61 4.01 -1.26 -4.76 117.16 115.57 3iwt n TYR 93 Ca 0.00 -0.84 -0.39 0.00 -0.16 0.00 0.00 57.90 56.52 3iwt n TYR 93 Cb 0.00 -0.22 0.04 0.00 -0.31 0.00 0.00 39.34 38.85 3iwt n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3iwt s SER 94 N -1.99 5.35 0.55 7.72 0.15 -1.26 -4.88 113.70 119.33 3iwt s SER 94 Ca 0.34 2.81 0.24 0.00 0.70 0.00 0.00 55.95 60.05 3iwt s SER 94 Cb 0.28 -2.64 1.45 0.00 -1.71 0.00 0.00 66.02 63.39 3iwt s SER 94 CO 0.08 -1.52 2.07 -0.65 1.20 0.00 0.00 173.24 174.41 3iwt h PRO 95 N 1.60 0.00 -0.02 5.44 0.11 -2.04 -1.93 132.00 135.16 3iwt h PRO 95 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 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 0.58 0.00 -0.02 0.25 -0.21 0.00 0.00 178.00 178.60 3iwt n THR 96 N -4.24 0.00 -2.52 -1.15 -2.24 -1.26 -4.84 114.28 98.03 3iwt n THR 96 Ca 0.04 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 3iwt n THR 96 Cb 0.38 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.03 6.54 -0.02 3.42 1.01 -0.73 -4.84 116.67 120.03 3iwt s ASP 97 Ca 0.36 0.60 0.02 0.00 0.71 0.00 0.00 52.55 54.24 3iwt s ASP 97 Cb 0.21 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.63 3iwt s ASP 97 CO 0.34 -1.31 0.82 2.30 0.21 0.00 0.00 175.17 177.53 3iwt n ILE 98 N 6.90 0.56 0.04 0.77 -5.35 -1.20 -4.86 119.36 116.23 3iwt n ILE 98 Ca 0.14 -0.61 -0.13 0.00 -0.27 0.00 0.00 62.75 61.88 3iwt n ILE 98 Cb 0.49 0.61 -0.08 0.00 -1.74 0.00 0.00 39.64 38.92 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 2.24 1.09 -0.34 7.28 2.02 -1.66 -1.81 112.91 121.73 3iwt h THR 99 Ca 0.00 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 3iwt h THR 99 Cb 0.89 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 3iwt h THR 99 CO 0.00 0.10 -0.14 1.62 0.37 0.00 0.00 175.52 177.46 3iwt h VAL 100 N -0.21 1.29 -0.89 3.16 3.04 -1.91 -0.85 116.25 119.87 3iwt h VAL 100 Ca -0.00 -1.24 0.04 0.00 -1.01 0.00 0.00 66.70 64.48 3iwt h VAL 100 Cb 0.20 1.38 -0.05 0.00 -2.01 0.00 0.00 31.29 30.80 3iwt h VAL 100 CO 0.01 0.41 0.58 -0.33 -1.01 0.00 0.00 177.57 177.23 3iwt h GLU 101 N 0.47 1.08 0.07 4.17 3.07 -1.91 -0.96 114.58 120.56 3iwt h GLU 101 Ca 0.08 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3iwt h GLU 101 Cb 0.67 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3iwt h GLU 101 CO 0.05 0.71 -0.03 1.15 -1.40 0.00 0.00 179.01 179.49 3iwt h THR 102 N 1.11 1.23 0.00 1.13 2.02 -1.07 -3.39 112.91 113.94 3iwt h THR 102 Ca 0.35 -1.36 -0.17 0.00 0.77 0.00 0.00 66.41 66.01 3iwt h THR 102 Cb 0.02 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3iwt h THR 102 CO -0.11 0.32 -1.24 0.40 0.37 0.00 0.00 175.52 175.26 3iwt h ILE 103 N -0.74 0.66 -0.95 3.11 1.08 -1.07 -3.22 117.51 116.37 3iwt h ILE 103 Ca -0.01 -2.17 0.28 0.00 -0.39 0.00 0.00 64.86 62.57 3iwt h ILE 103 Cb 0.60 2.18 -0.04 0.00 -3.07 0.00 0.00 36.82 36.49 3iwt h ILE 103 CO 0.02 0.37 0.70 0.03 -0.69 0.00 0.00 178.15 178.58 3iwt h ARG 104 N 0.00 0.00 0.00 2.37 3.08 -1.36 0.14 114.38 118.61 3iwt h ARG 104 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3iwt h ARG 104 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.64 3iwt h ARG 104 CO 0.06 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.59 3iwt n LYS 105 N -4.21 0.12 0.05 0.04 4.76 -1.22 -2.26 118.16 115.45 3iwt n LYS 105 Ca 0.20 0.14 0.06 0.00 -2.87 0.00 0.00 58.31 55.84 3iwt n LYS 105 Cb 1.03 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.65 3iwt n LYS 105 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3iwt n LEU 106 N -1.40 0.67 -4.75 -0.35 4.77 0.48 -4.99 117.00 111.42 3iwt n LEU 106 Ca 0.07 0.28 -0.41 0.00 -0.03 0.00 0.00 56.01 55.91 3iwt n LEU 106 Cb 0.19 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3iwt n LEU 106 CO 0.16 0.01 1.18 -0.36 -1.33 0.00 0.00 177.39 177.06 3iwt s PHE 107 N -3.17 2.87 0.08 -1.77 0.08 -0.96 -4.86 117.98 110.24 3iwt s PHE 107 Ca -0.03 0.89 -0.19 0.00 0.12 0.00 0.00 56.93 57.71 3iwt s PHE 107 Cb 0.10 -3.96 -0.09 0.00 -0.57 0.00 0.00 43.02 38.49 3iwt s PHE 107 CO 0.82 -3.19 1.52 -0.44 -0.10 0.00 0.00 175.22 173.83 3iwt h ASP 108 N 4.92 0.37 -3.43 1.36 3.32 -1.02 -3.45 116.42 118.48 3iwt h ASP 108 Ca -0.47 -0.30 -0.29 0.00 0.02 0.00 0.00 57.03 55.99 3iwt h ASP 108 Cb 1.22 -0.10 -0.34 0.00 0.22 0.00 0.00 39.33 40.33 3iwt h ASP 108 CO 0.79 0.58 -0.68 -0.13 -1.72 0.00 0.00 179.24 178.07 3iwt s ARG 109 N -5.02 0.00 0.14 3.56 0.52 -1.11 -5.01 118.95 112.03 3iwt s ARG 109 Ca -0.14 0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.07 3iwt s ARG 109 Cb 0.07 -0.26 -0.07 0.00 0.52 0.00 0.00 34.95 35.21 3iwt s ARG 109 CO 0.73 -0.20 1.12 -2.00 0.02 0.00 0.00 175.30 174.98 3iwt s GLU 110 N 1.33 4.55 -0.96 3.54 2.12 -1.26 -0.81 118.70 127.20 3iwt s GLU 110 Ca -0.07 1.72 -0.20 0.00 0.36 0.00 0.00 54.97 56.79 3iwt s GLU 110 Cb -0.12 -3.30 0.11 0.00 0.26 0.00 0.00 34.13 31.08 3iwt s GLU 110 CO -0.04 -0.02 1.22 0.42 -0.54 0.00 0.00 175.26 176.30 3iwt s ILE 111 N 0.15 4.51 0.23 -3.70 1.01 0.60 -4.86 121.20 119.14 3iwt s ILE 111 Ca 0.52 -1.38 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 3iwt s ILE 111 Cb -0.29 -4.86 0.21 0.00 0.01 0.00 0.00 42.46 37.53 3iwt s ILE 111 CO 0.33 -1.63 1.86 -0.33 0.00 0.00 0.00 174.94 175.18 3iwt h GLU 112 N 9.06 1.24 0.00 2.79 5.08 -1.94 -2.33 114.58 128.49 3iwt h GLU 112 Ca 0.17 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3iwt h GLU 112 Cb 1.02 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3iwt h GLU 112 CO 1.20 0.90 0.00 0.41 -1.00 0.00 0.00 179.01 180.51 3iwt n GLY 113 N -1.15 -1.41 0.28 -3.84 0.00 -1.26 -3.30 105.19 94.51 3iwt n GLY 113 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3iwt n GLY 113 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iwt h PHE 114 N 0.00 0.84 0.36 1.61 3.57 -1.78 -1.23 116.94 120.32 3iwt h PHE 114 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3iwt h PHE 114 Cb 0.49 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3iwt h PHE 114 CO 0.00 0.47 -0.24 0.66 -2.23 0.00 0.00 178.31 176.96 3iwt h SER 115 N 0.87 -0.62 0.14 0.41 4.64 -1.67 0.53 113.55 117.84 3iwt h SER 115 Ca 0.30 0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.51 3iwt h SER 115 Cb 0.05 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3iwt h SER 115 CO -0.12 -0.38 -0.53 -2.24 -0.87 0.00 0.00 176.83 172.68 3iwt h ASP 116 N -0.59 0.48 -0.32 4.97 2.03 -1.75 -1.74 116.42 119.50 3iwt h ASP 116 Ca -0.03 -0.25 -0.13 0.00 -0.73 0.00 0.00 57.03 55.89 3iwt h ASP 116 Cb 0.50 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.85 3iwt h ASP 116 CO 0.02 0.92 -0.26 0.58 -1.03 0.00 0.00 179.24 179.47 3iwt h VAL 117 N 0.33 1.27 -0.72 4.15 2.07 -1.16 0.76 116.25 122.95 3iwt h VAL 117 Ca 0.01 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 3iwt h VAL 117 Cb 1.04 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3iwt h VAL 117 CO 0.09 0.47 0.26 0.15 0.02 0.00 0.00 177.57 178.56 3iwt h PHE 118 N 0.70 1.12 -0.08 1.57 3.57 -0.74 -2.01 116.94 121.07 3iwt h PHE 118 Ca 0.09 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 3iwt h PHE 118 Cb 0.79 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3iwt h PHE 118 CO 0.04 0.86 -0.39 0.00 -2.23 0.00 0.00 178.31 176.60 3iwt h ARG 119 N 1.06 0.16 0.12 1.11 3.08 -0.91 -1.31 114.38 117.69 3iwt h ARG 119 Ca 0.24 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3iwt h ARG 119 Cb 0.24 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3iwt h ARG 119 CO -0.02 0.53 -0.06 1.25 -1.07 0.00 0.00 179.97 180.61 3iwt h LEU 120 N 0.14 -0.14 -0.98 3.04 6.46 -0.42 0.95 115.31 124.35 3iwt h LEU 120 Ca 0.01 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.57 3iwt h LEU 120 Cb 0.76 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 3iwt h LEU 120 CO 0.06 0.02 -0.30 -0.37 -0.62 0.00 0.00 178.44 177.23 3iwt h VAL 121 N -0.30 1.27 -0.20 1.05 -1.51 -1.28 -2.15 116.25 113.14 3iwt h VAL 121 Ca -0.02 -1.32 -0.04 0.00 -1.23 0.00 0.00 66.70 64.10 3iwt h VAL 121 Cb 0.24 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 3iwt h VAL 121 CO 0.03 0.41 -0.03 0.28 -1.23 0.00 0.00 177.57 177.02 3iwt h SER 122 N 0.32 0.37 -0.93 4.19 0.02 -1.16 -3.00 113.55 113.36 3iwt h SER 122 Ca 0.04 -0.35 0.05 0.00 -0.84 0.00 0.00 61.79 60.70 3iwt h SER 122 Cb 0.70 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 3iwt h SER 122 CO 0.05 0.63 0.61 0.15 -1.14 0.00 0.00 176.83 177.13 3iwt h PHE 123 N 0.11 1.10 0.00 3.45 3.57 -0.59 -1.00 116.94 123.58 3iwt h PHE 123 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3iwt h PHE 123 Cb 0.46 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3iwt h PHE 123 CO 0.05 0.60 -0.07 -0.91 -2.23 0.00 0.00 178.31 175.74 3iwt h ASN 124 N 1.11 0.00 -2.76 0.41 2.35 -1.29 -3.19 115.58 112.20 3iwt h ASN 124 Ca 0.39 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.59 3iwt h ASN 124 Cb 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3iwt h ASN 124 CO -0.14 0.07 0.99 -0.62 -1.65 0.00 0.00 177.43 176.08 3iwt s ASP 125 N -6.18 6.80 0.31 5.81 -1.08 -0.38 -4.90 116.67 117.04 3iwt s ASP 125 Ca -0.04 2.01 0.25 0.00 -0.52 0.00 0.00 52.55 54.25 3iwt s ASP 125 Cb 0.14 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 40.14 3iwt s ASP 125 CO 0.57 -0.84 1.74 1.55 0.52 0.00 0.00 175.17 178.72 3iwt h PRO 126 N 8.81 0.00 0.00 4.34 0.13 -1.86 0.17 132.00 143.60 3iwt h PRO 126 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3iwt h PRO 126 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3iwt h PRO 126 CO 0.95 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.11 3iwt n GLU 127 N -2.34 0.17 0.04 0.86 -0.58 -1.26 -4.51 120.64 113.01 3iwt n GLU 127 Ca 0.01 0.02 -0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3iwt n GLU 127 Cb 0.20 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 3iwt n GLU 127 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3iwt n VAL 128 N -1.41 1.04 0.00 2.62 0.31 0.44 -5.02 118.33 116.31 3iwt n VAL 128 Ca 0.09 0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.76 3iwt n VAL 128 Cb 0.28 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 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 -3.36 0.00 0.30 5.55 5.02 -0.19 -1.80 118.16 123.68 3iwt n LYS 129 Ca -0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 3iwt n LYS 129 Cb 0.01 0.00 0.96 0.00 -0.02 0.00 0.00 35.03 35.98 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 -0.56 1.26 0.00 7.82 0.00 -1.92 -0.01 119.26 125.86 3iwt h ALA 130 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 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 0.04 0.33 0.00 0.00 0.00 0.00 179.25 179.62 3iwt h ALA 131 N 1.97 1.31 -0.52 0.00 0.00 -1.75 -2.33 119.26 117.94 3iwt h ALA 131 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 3iwt h ALA 131 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3iwt h ALA 131 CO 0.00 -0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.31 3iwt h ALA 132 N 1.29 2.36 -0.00 0.00 0.00 -1.18 -1.25 119.26 120.48 3iwt h ALA 132 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iwt h ALA 132 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3iwt h ALA 132 CO 0.00 -0.50 -0.01 2.48 0.00 0.00 0.00 179.25 181.22 3iwt n TYR 133 N -4.41 0.00 0.57 0.00 0.18 -0.88 -3.27 117.16 109.34 3iwt n TYR 133 Ca 0.09 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.95 3iwt n TYR 133 Cb 0.52 -0.10 0.22 0.00 -0.38 0.00 0.00 39.34 39.61 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 -1.01 2.47 -4.48 -3.48 4.77 -0.47 -4.90 117.00 109.90 3iwt n LEU 134 Ca 0.20 -1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 54.67 3iwt n LEU 134 Cb 0.18 -0.29 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 3iwt n LEU 134 CO 0.20 0.61 -0.49 0.28 -1.33 0.00 0.00 177.39 176.65 3iwt s THR 135 N -1.42 2.83 -0.17 -5.08 -1.32 -1.20 -4.20 115.64 105.08 3iwt s THR 135 Ca 0.32 -1.37 0.16 0.00 -1.21 0.00 0.00 61.69 59.58 3iwt s THR 135 Cb 0.17 -2.26 0.36 0.00 -1.51 0.00 0.00 72.50 69.26 3iwt s THR 135 CO 0.22 0.20 1.21 0.29 -2.21 0.00 0.00 174.62 174.33 3iwt n LYS 136 N 1.10 1.54 -1.53 7.08 5.02 0.12 -5.02 118.16 126.47 3iwt n LYS 136 Ca -0.16 -2.87 -0.51 0.00 -2.02 0.00 0.00 58.31 52.76 3iwt n LYS 136 Cb 0.52 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.25 -1.74 -2.45 7.82 0.00 -1.26 -4.93 120.51 116.70 3iwt n ALA 137 Ca 0.18 0.49 -0.11 0.00 0.00 0.00 0.00 53.44 54.00 3iwt n ALA 137 Cb 0.70 -1.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.19 0.12 0.05 0.00 0.01 -0.76 -3.95 113.70 108.98 3iwt s SER 138 Ca 0.75 -1.19 -0.10 0.00 1.31 0.00 0.00 55.95 56.72 3iwt s SER 138 Cb -0.95 0.41 0.01 0.00 0.21 0.00 0.00 66.02 65.70 3iwt s SER 138 CO 0.54 -0.88 0.22 0.00 0.41 0.00 0.00 173.24 173.53 3iwt s ALA 139 N -4.08 -0.42 0.34 1.44 0.00 -1.26 0.12 121.76 117.91 3iwt s ALA 139 Ca 0.29 -0.27 -0.17 0.00 0.00 0.00 0.00 51.96 51.82 3iwt s ALA 139 Cb 0.05 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.56 3iwt s ALA 139 CO 0.07 -0.40 0.87 0.20 0.00 0.00 0.00 175.76 176.50 3iwt s GLY 140 N -2.20 0.35 -0.09 0.00 0.00 0.02 -0.29 107.32 105.11 3iwt s GLY 140 Ca -0.04 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.03 3iwt s GLY 140 CO -0.05 0.52 -0.18 -0.42 0.00 0.00 0.00 173.10 172.97 3iwt s ILE 141 N -2.11 1.61 -0.19 0.90 1.01 0.01 -0.67 121.20 121.76 3iwt s ILE 141 Ca 0.18 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3iwt s ILE 141 Cb -0.04 -1.42 0.05 0.00 0.01 0.00 0.00 42.46 41.05 3iwt s ILE 141 CO 0.10 0.46 -0.02 -0.63 0.00 0.00 0.00 174.94 174.85 3iwt s ILE 142 N 0.58 1.01 0.00 2.92 1.01 -0.29 -0.31 121.20 126.11 3iwt s ILE 142 Ca -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3iwt s ILE 142 Cb -0.17 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.00 3iwt s ILE 142 CO 0.05 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3iwt n GLY 143 N 4.89 2.63 1.54 6.18 0.00 -1.26 -1.41 105.19 117.77 3iwt n GLY 143 Ca -0.11 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.65 3iwt n GLY 143 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3iwt n LYS 144 N 13.42 3.66 -4.24 1.61 2.85 -1.26 -4.96 118.16 129.24 3iwt n LYS 144 Ca 0.00 -3.04 -0.31 0.00 -1.05 0.00 0.00 58.31 53.90 3iwt n LYS 144 Cb 0.00 -2.08 -0.09 0.00 -0.65 0.00 0.00 35.03 32.21 3iwt n LYS 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3iwt s LYS 145 N -2.90 2.61 -0.04 -1.58 1.02 -0.50 -4.85 119.74 113.50 3iwt s LYS 145 Ca 0.50 -0.75 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 3iwt s LYS 145 Cb 0.40 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 3iwt s LYS 145 CO 0.12 0.58 0.11 0.42 -0.92 0.00 0.00 175.35 175.66 3iwt s ILE 146 N -1.18 5.05 -0.08 2.17 -1.09 -0.72 -1.14 121.20 124.21 3iwt s ILE 146 Ca 0.22 -0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 3iwt s ILE 146 Cb -0.11 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.50 3iwt s ILE 146 CO 0.13 0.42 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.47 3iwt s VAL 147 N -1.17 1.12 -0.13 2.92 1.01 0.15 -0.61 120.40 123.70 3iwt s VAL 147 Ca 0.22 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3iwt s VAL 147 Cb -0.12 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.21 3iwt s VAL 147 CO 0.12 0.36 -0.21 -0.31 0.00 0.00 0.00 175.10 175.06 3iwt s TYR 148 N 0.95 2.66 -0.38 5.22 2.02 0.27 -0.80 117.35 127.29 3iwt s TYR 148 Ca -0.09 -1.22 -0.07 0.00 -0.37 0.00 0.00 57.07 55.32 3iwt s TYR 148 Cb -0.15 -1.80 0.06 0.00 -0.40 0.00 0.00 41.96 39.67 3iwt s TYR 148 CO 0.00 -0.54 0.19 -0.51 -1.57 0.00 0.00 175.55 173.12 3iwt s LEU 149 N 0.69 4.80 0.24 -1.29 1.43 0.12 -1.20 118.68 123.47 3iwt s LEU 149 Ca -0.10 -1.39 0.07 0.00 -1.03 0.00 0.00 54.13 51.69 3iwt s LEU 149 Cb -0.16 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3iwt s LEU 149 CO 0.01 -0.44 0.18 -0.76 0.23 0.00 0.00 176.35 175.56 3iwt s LEU 150 N 1.39 3.78 0.95 1.79 1.43 0.41 -1.82 118.68 126.61 3iwt s LEU 150 Ca 0.01 -0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 3iwt s LEU 150 Cb -0.21 -2.32 0.16 0.00 0.03 0.00 0.00 46.19 43.85 3iwt s LEU 150 CO 0.02 -0.02 1.10 -2.84 0.23 0.00 0.00 176.35 174.84 3iwt s PRO 151 N -3.74 0.78 0.34 1.29 0.02 -1.26 -0.73 135.00 131.70 3iwt s PRO 151 Ca 0.32 1.18 0.12 0.00 0.02 0.00 0.00 61.00 62.65 3iwt s PRO 151 Cb -0.08 -1.73 0.61 0.00 0.02 0.00 0.00 34.50 33.32 3iwt s PRO 151 CO 0.24 -2.68 1.76 0.78 -0.33 0.00 0.00 177.00 176.78 3iwt h GLY 152 N -1.88 0.00 -4.84 0.52 0.00 -1.85 -3.13 103.07 91.88 3iwt h GLY 152 Ca -0.49 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.32 3iwt h GLY 152 CO 0.48 0.00 1.01 -0.45 0.00 0.00 0.00 176.54 177.58 3iwt s SER 153 N -6.90 6.50 0.28 0.19 0.15 -1.26 -4.73 113.70 107.93 3iwt s SER 153 Ca -0.02 2.67 -0.02 0.00 0.70 0.00 0.00 55.95 59.27 3iwt s SER 153 Cb 0.14 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 62.30 3iwt s SER 153 CO 0.74 -0.93 1.90 -0.65 1.20 0.00 0.00 173.24 175.50 3iwt h PRO 154 N 7.85 1.13 -0.40 5.44 0.11 -1.94 -1.29 132.00 142.89 3iwt h PRO 154 Ca -0.44 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3iwt h PRO 154 Cb 1.21 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3iwt h PRO 154 CO 0.94 0.75 -0.18 -0.44 -0.21 0.00 0.00 178.00 178.85 3iwt h ASP 155 N 1.16 0.76 -0.69 -2.05 3.32 -1.98 -2.01 116.42 114.93 3iwt h ASP 155 Ca 0.41 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3iwt h ASP 155 Cb 0.12 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3iwt h ASP 155 CO -0.15 0.94 0.15 0.00 -1.72 0.00 0.00 179.24 178.47 3iwt h ALA 156 N 1.12 0.91 -0.37 3.45 0.00 -1.76 -2.07 119.26 120.55 3iwt h ALA 156 Ca 0.10 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 3iwt h ALA 156 Cb 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3iwt h ALA 156 CO 0.05 0.65 -0.33 0.28 0.00 0.00 0.00 179.25 179.90 3iwt h VAL 157 N 1.05 1.28 -0.20 0.00 2.07 -1.12 -1.50 116.25 117.84 3iwt h VAL 157 Ca 0.22 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3iwt h VAL 157 Cb 0.39 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3iwt h VAL 157 CO 0.01 0.50 0.10 0.50 0.02 0.00 0.00 177.57 178.69 3iwt h LYS 158 N 0.68 0.21 -0.13 1.57 3.64 -1.30 -0.70 116.57 120.54 3iwt h LYS 158 Ca 0.06 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3iwt h LYS 158 Cb 0.92 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 3iwt h LYS 158 CO 0.08 0.14 -0.04 1.25 -2.27 0.00 0.00 179.45 178.61 3iwt h LEU 159 N 0.21 -0.15 -0.19 5.20 5.85 -1.26 -0.67 115.31 124.30 3iwt h LEU 159 Ca 0.08 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3iwt h LEU 159 Cb 0.02 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3iwt h LEU 159 CO -0.05 -0.06 0.02 0.00 -0.34 0.00 0.00 178.44 178.01 3iwt h ALA 160 N 1.11 0.18 0.07 1.25 0.00 -1.09 -0.47 119.26 120.31 3iwt h ALA 160 Ca 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iwt h ALA 160 Cb 0.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3iwt h ALA 160 CO -0.14 -0.41 -0.03 -0.07 0.00 0.00 0.00 179.25 178.59 3iwt h LEU 161 N 0.09 -0.08 -0.22 0.00 -0.00 -0.94 -0.39 115.31 113.76 3iwt h LEU 161 Ca 0.09 -0.14 -0.14 0.00 -0.00 0.00 0.00 57.88 57.69 3iwt h LEU 161 Cb 0.09 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.78 3iwt h LEU 161 CO -0.13 0.09 -0.41 0.11 -0.00 0.00 0.00 178.44 178.09 3iwt h LYS 162 N -0.25 0.67 0.03 1.13 1.57 -1.07 0.28 116.57 118.93 3iwt h LYS 162 Ca -0.01 -0.43 -0.31 0.00 -1.87 0.00 0.00 60.65 58.04 3iwt h LYS 162 Cb 0.21 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3iwt h LYS 162 CO 0.02 1.04 -1.78 0.39 -0.57 0.00 0.00 179.45 178.55 3iwt n GLU 163 N -4.21 0.66 -0.03 3.15 -0.58 -0.19 -4.44 120.64 115.01 3iwt n GLU 163 Ca -0.05 0.29 -0.04 0.00 -0.42 0.00 0.00 57.16 56.94 3iwt n GLU 163 Cb 0.54 -1.77 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 3iwt n GLU 163 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3iwt n LEU 164 N -3.14 2.43 -0.08 -4.62 4.77 -0.38 -4.71 117.00 111.27 3iwt n LEU 164 Ca -0.20 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.67 3iwt n LEU 164 Cb 1.05 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.96 3iwt n LEU 164 CO 0.45 0.51 -0.29 0.40 -1.33 0.00 0.00 177.39 177.12 3iwt h ILE 165 N 0.00 0.32 -0.66 -0.08 2.04 -1.10 -3.34 117.51 114.69 3iwt h ILE 165 Ca -0.13 -1.35 0.07 0.00 1.00 0.00 0.00 64.86 64.45 3iwt h ILE 165 Cb 1.21 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 3iwt h ILE 165 CO -0.02 0.11 0.34 -0.07 0.00 0.00 0.00 178.15 178.51 3iwt h LEU 166 N -1.00 0.46 -1.50 1.44 3.38 -1.18 -0.41 115.31 116.51 3iwt h LEU 166 Ca -0.08 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3iwt h LEU 166 Cb 0.64 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3iwt h LEU 166 CO -0.05 0.29 -0.25 -0.65 0.09 0.00 0.00 178.44 177.87 3iwt h PRO 167 N 0.60 0.00 0.00 1.13 0.11 -1.78 -3.36 132.00 128.71 3iwt h PRO 167 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3iwt h PRO 167 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3iwt h PRO 167 CO -0.23 0.25 -0.87 0.39 -0.21 0.00 0.00 178.00 177.33 3iwt n GLU 168 N -3.88 1.92 -0.01 1.05 -0.58 -0.95 -4.78 120.64 113.41 3iwt n GLU 168 Ca -0.02 -0.03 -0.04 0.00 -0.42 0.00 0.00 57.16 56.66 3iwt n GLU 168 Cb 0.33 -0.97 0.20 0.00 -0.57 0.00 0.00 31.44 30.43 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 1.25 0.19 2.62 3.04 -1.24 -1.90 116.25 120.22 3iwt h VAL 169 Ca 0.00 -1.19 -0.01 0.00 -1.01 0.00 0.00 66.70 64.49 3iwt h VAL 169 Cb 0.17 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3iwt h VAL 169 CO 0.00 0.39 -0.09 1.23 -1.01 0.00 0.00 177.57 178.08 3iwt h GLY 170 N 0.98 -0.27 1.10 3.17 0.00 -1.83 -0.20 103.07 106.03 3iwt h GLY 170 Ca 0.08 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3iwt h GLY 170 CO 0.04 -0.10 0.29 0.84 0.00 0.00 0.00 176.54 177.62 3iwt h HIS 171 N -0.27 1.16 -0.44 5.60 6.17 -1.87 -2.34 115.15 123.16 3iwt h HIS 171 Ca -0.03 -0.09 -0.00 0.00 0.71 0.00 0.00 60.37 60.97 3iwt h HIS 171 Cb 0.21 -0.35 -0.02 0.00 2.52 0.00 0.00 27.41 29.77 3iwt h HIS 171 CO -0.06 0.88 0.28 1.25 0.71 0.00 0.00 177.93 180.99 3iwt h LEU 172 N 1.11 0.53 -0.71 0.26 5.85 -1.09 0.13 115.31 121.39 3iwt h LEU 172 Ca 0.25 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3iwt h LEU 172 Cb 0.22 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3iwt h LEU 172 CO -0.02 0.41 0.46 0.58 -0.34 0.00 0.00 178.44 179.53 3iwt h VAL 173 N 0.59 1.14 -0.29 1.05 2.07 -0.90 -1.28 116.25 118.63 3iwt h VAL 173 Ca 0.16 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3iwt h VAL 173 Cb -0.02 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 3iwt h VAL 173 CO -0.03 0.17 0.18 0.22 0.02 0.00 0.00 177.57 178.12 3iwt h TYR 174 N 0.92 0.33 -0.21 1.57 3.20 -1.15 -2.62 116.97 119.01 3iwt h TYR 174 Ca 0.27 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3iwt h TYR 174 Cb -0.05 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3iwt h TYR 174 CO -0.03 0.20 0.11 1.25 -1.64 0.00 0.00 178.16 178.04 3iwt h LEU 175 N 0.36 0.27 -1.53 2.82 5.85 -0.53 -1.71 115.31 120.84 3iwt h LEU 175 Ca 0.11 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3iwt h LEU 175 Cb -0.01 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 3iwt h LEU 175 CO -0.05 0.30 -0.14 -0.37 -0.34 0.00 0.00 178.44 177.85 3iwt h VAL 176 N 0.21 0.42 -0.15 1.05 -1.51 -1.22 -2.35 116.25 112.69 3iwt h VAL 176 Ca 0.07 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3iwt h VAL 176 Cb 0.10 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3iwt h VAL 176 CO -0.01 0.13 0.00 0.54 -1.23 0.00 0.00 177.57 177.00 3iwt n ARG 177 N -3.39 2.11 0.00 5.19 1.74 -0.97 -4.92 116.66 116.42 3iwt n ARG 177 Ca -0.01 -1.64 0.15 0.00 -0.77 0.00 0.00 57.85 55.59 3iwt n ARG 177 Cb 0.33 -1.46 0.84 0.00 -1.02 0.00 0.00 32.46 31.14 3iwt n ARG 177 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98