#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wky s THR 5 N 0.00 5.25 0.20 8.89 2.01 -1.26 -4.47 115.64 126.27 2wky s THR 5 Ca 0.00 0.65 -0.28 0.00 0.31 0.00 0.00 61.69 62.37 2wky s THR 5 Cb 0.00 -3.69 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 2wky s THR 5 CO 0.00 0.33 0.87 -0.76 -0.69 0.00 0.00 174.62 174.37 2wky s LEU 6 N 0.81 4.62 -0.21 4.42 1.43 -0.76 -4.87 118.68 124.12 2wky s LEU 6 Ca 0.19 1.82 -0.17 0.00 -1.03 0.00 0.00 54.13 54.93 2wky s LEU 6 Cb -0.14 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2wky s LEU 6 CO 0.06 0.17 0.47 -0.63 0.23 0.00 0.00 176.35 176.65 2wky s ILE 7 N -1.11 5.14 -0.26 -0.59 -1.09 -1.26 -0.98 121.20 121.06 2wky s ILE 7 Ca 0.39 0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 59.63 2wky s ILE 7 Cb -0.25 -3.79 0.03 0.00 -1.58 0.00 0.00 42.46 36.86 2wky s ILE 7 CO 0.30 0.20 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.47 2wky s VAL 8 N 1.59 3.00 0.05 2.92 1.01 -0.48 0.35 120.40 128.83 2wky s VAL 8 Ca 0.22 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 2wky s VAL 8 Cb -0.15 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 2wky s VAL 8 CO 0.09 0.16 0.64 0.28 0.00 0.00 0.00 175.10 176.27 2wky s THR 9 N 1.34 4.76 0.01 3.92 -1.32 0.26 -0.65 115.64 123.97 2wky s THR 9 Ca -0.00 1.36 0.00 0.00 -1.21 0.00 0.00 61.69 61.84 2wky s THR 9 Cb -0.17 -3.98 -0.00 0.00 -1.51 0.00 0.00 72.50 66.84 2wky s THR 9 CO -0.03 0.46 0.02 1.07 -2.21 0.00 0.00 174.62 173.92 2wky n THR 10 N 2.32 0.00 -3.62 5.08 5.66 -0.95 -2.24 114.28 120.52 2wky n THR 10 Ca -0.07 -0.08 -0.16 0.00 -3.05 0.00 0.00 64.05 60.69 2wky n THR 10 Cb 0.50 0.05 -0.07 0.00 -1.55 0.00 0.00 70.33 69.26 2wky n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2wky s ILE 11 N -2.26 0.03 0.07 1.09 2.07 -1.26 -1.16 121.20 119.78 2wky s ILE 11 Ca 0.01 -0.21 -0.30 0.00 -1.41 0.00 0.00 60.65 58.74 2wky s ILE 11 Cb 0.00 -0.84 -0.05 0.00 0.13 0.00 0.00 42.46 41.70 2wky s ILE 11 CO 0.01 -0.12 1.08 -0.76 -1.91 0.00 0.00 174.94 173.25 2wky s LEU 12 N -1.28 4.41 -0.30 8.50 1.43 -1.26 -4.50 118.68 125.67 2wky s LEU 12 Ca -0.12 1.89 -0.17 0.00 -1.03 0.00 0.00 54.13 54.70 2wky s LEU 12 Cb -0.02 -3.58 0.18 0.00 0.03 0.00 0.00 46.19 42.80 2wky s LEU 12 CO 0.07 -0.31 1.18 -0.70 0.23 0.00 0.00 176.35 176.82 2wky s GLU 13 N 0.64 0.11 0.26 1.70 2.56 -0.41 -4.97 118.70 118.59 2wky s GLU 13 Ca 0.53 0.26 -0.29 0.00 0.00 0.00 0.00 54.97 55.47 2wky s GLU 13 Cb -0.26 0.16 -0.09 0.00 2.00 0.00 0.00 34.13 35.93 2wky s GLU 13 CO 0.30 -0.06 1.23 -1.21 -0.56 0.00 0.00 175.26 174.96 2wky s GLU 14 N 2.38 4.47 -0.33 4.30 2.02 -1.26 -0.50 118.70 129.77 2wky s GLU 14 Ca -0.02 2.00 0.07 0.00 0.02 0.00 0.00 54.97 57.05 2wky s GLU 14 Cb -0.04 -3.16 0.53 0.00 0.10 0.00 0.00 34.13 31.55 2wky s GLU 14 CO -0.15 -0.08 1.54 -0.35 0.02 0.00 0.00 175.26 176.25 2wky n PRO 15 N 1.65 2.03 -0.01 0.39 -0.04 -1.26 -4.93 135.00 132.82 2wky n PRO 15 Ca 0.02 -3.24 -0.16 0.00 -0.04 0.00 0.00 63.50 60.08 2wky n PRO 15 Cb 0.43 -1.92 -0.12 0.00 -0.04 0.00 0.00 33.50 31.86 2wky n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2wky h TYR 16 N 1.12 0.38 -3.21 0.54 0.05 -1.13 -1.71 116.97 113.01 2wky h TYR 16 Ca 0.31 -0.22 -0.37 0.00 0.05 0.00 0.00 58.73 58.50 2wky h TYR 16 Cb 1.79 -0.04 -0.39 0.00 1.01 0.00 0.00 36.73 39.10 2wky h TYR 16 CO 1.14 1.05 -0.72 0.08 -1.05 0.00 0.00 178.16 178.66 2wky s VAL 17 N -3.02 -0.14 0.05 -2.88 1.01 -0.63 -1.55 120.40 113.25 2wky s VAL 17 Ca -0.15 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 2wky s VAL 17 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 2wky s VAL 17 CO 0.77 0.08 0.05 -0.04 0.00 0.00 0.00 175.10 175.97 2wky s MET 18 N 2.19 0.59 0.08 2.72 -1.94 0.26 -1.29 119.30 121.90 2wky s MET 18 Ca 0.04 -0.91 -0.31 0.00 -1.71 0.00 0.00 55.69 52.81 2wky s MET 18 Cb -0.13 0.22 -0.06 0.00 2.01 0.00 0.00 34.83 36.87 2wky s MET 18 CO -0.05 -0.14 1.21 0.71 -0.01 0.00 0.00 175.02 176.75 2wky s TYR 19 N -3.03 3.43 0.87 -0.03 2.02 -1.26 -0.85 117.35 118.50 2wky s TYR 19 Ca -0.01 1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 57.87 2wky s TYR 19 Cb 0.01 -3.44 0.12 0.00 -0.40 0.00 0.00 41.96 38.25 2wky s TYR 19 CO -0.07 -1.33 1.10 0.50 -1.57 0.00 0.00 175.55 174.18 2wky s ARG 20 N 0.93 1.42 -0.23 -0.62 3.52 0.86 -4.85 118.95 119.98 2wky s ARG 20 Ca 0.58 1.09 -0.05 0.00 -0.13 0.00 0.00 55.73 57.22 2wky s ARG 20 Cb -0.30 -1.81 -0.02 0.00 -1.56 0.00 0.00 34.95 31.26 2wky s ARG 20 CO 0.30 -2.20 0.01 0.15 -0.81 0.00 0.00 175.30 172.75 2wky s LYS 21 N -4.84 3.51 0.16 5.12 1.02 -1.26 -4.99 119.74 118.46 2wky s LYS 21 Ca 0.64 -0.56 -0.05 0.00 0.02 0.00 0.00 55.97 56.02 2wky s LYS 21 Cb -0.19 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 2wky s LYS 21 CO 0.57 -0.19 0.19 0.45 -0.92 0.00 0.00 175.35 175.45 2wky s SER 22 N 1.54 0.15 0.00 2.83 0.15 -1.26 -5.03 113.70 112.08 2wky s SER 22 Ca 0.06 -1.09 0.20 0.00 0.70 0.00 0.00 55.95 55.83 2wky s SER 22 Cb -0.15 0.39 0.72 0.00 -1.71 0.00 0.00 66.02 65.27 2wky s SER 22 CO -0.00 -0.84 1.53 -0.90 1.20 0.00 0.00 173.24 174.23 2wky n ASP 23 N -0.19 1.69 -4.09 5.45 5.68 -1.26 -4.89 116.55 118.94 2wky n ASP 23 Ca -0.05 -1.73 -0.10 0.00 -0.50 0.00 0.00 54.79 52.42 2wky n ASP 23 Cb 0.64 -0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 40.42 2wky n ASP 23 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2wky s LYS 24 N -1.77 1.08 0.32 0.11 -2.85 -1.26 -5.14 119.74 110.23 2wky s LYS 24 Ca 0.32 -1.38 -0.29 0.00 -1.00 0.00 0.00 55.97 53.62 2wky s LYS 24 Cb 0.17 0.30 -0.11 0.00 -2.06 0.00 0.00 37.83 36.14 2wky s LYS 24 CO 0.26 -0.35 1.46 -2.14 0.10 0.00 0.00 175.35 174.67 2wky s PRO 25 N -4.04 4.20 0.17 1.78 0.02 -1.26 -5.02 135.00 130.86 2wky s PRO 25 Ca 0.24 2.43 0.04 0.00 0.02 0.00 0.00 61.00 63.74 2wky s PRO 25 Cb 0.06 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.50 2wky s PRO 25 CO 0.03 -0.45 0.20 -0.51 -0.33 0.00 0.00 177.00 175.94 2wky s LEU 26 N -1.29 4.00 0.10 -5.54 1.43 -1.26 -5.12 118.68 110.99 2wky s LEU 26 Ca 0.56 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 2wky s LEU 26 Cb -0.44 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 2wky s LEU 26 CO 0.53 0.05 -0.10 -0.31 0.23 0.00 0.00 176.35 176.75 2wky s TYR 27 N -1.79 1.09 0.00 0.29 2.02 -1.26 -4.80 117.35 112.90 2wky s TYR 27 Ca 0.32 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2wky s TYR 27 Cb -0.10 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 2wky s TYR 27 CO 0.25 0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 2wky n GLY 28 N 0.50 1.29 0.31 0.71 0.00 -1.26 -2.54 105.19 104.20 2wky n GLY 28 Ca -0.16 -0.54 0.17 0.00 0.00 0.00 0.00 46.02 45.50 2wky n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wky h ASN 29 N 6.08 0.00 0.33 1.61 2.35 -1.92 -1.92 115.58 122.11 2wky h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wky h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2wky h ASN 29 CO 0.00 0.00 0.00 -0.78 -1.65 0.00 0.00 177.43 175.00 2wky h ASP 30 N 0.00 0.00 0.84 5.81 3.58 -1.91 -2.11 116.42 122.63 2wky h ASP 30 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2wky h ASP 30 Cb 0.04 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2wky h ASP 30 CO -0.00 0.00 -0.12 0.03 -2.88 0.00 0.00 179.24 176.27 2wky h ARG 31 N 0.00 0.00 -6.10 0.28 3.08 -1.37 -3.44 114.38 106.83 2wky h ARG 31 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2wky h ARG 31 Cb 0.17 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.11 2wky h ARG 31 CO 0.00 0.12 -0.64 -0.06 -1.07 0.00 0.00 179.97 178.32 2wky s PHE 32 N -3.76 2.55 0.23 3.04 0.08 -0.79 -0.10 117.98 119.23 2wky s PHE 32 Ca 0.00 -0.36 -0.21 0.00 0.12 0.00 0.00 56.93 56.47 2wky s PHE 32 Cb 0.10 -1.34 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 2wky s PHE 32 CO 0.59 0.55 0.66 -1.83 -0.10 0.00 0.00 175.22 175.09 2wky s GLU 33 N -3.68 1.59 0.00 0.44 -1.05 -0.03 -4.71 118.70 111.25 2wky s GLU 33 Ca 0.33 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 2wky s GLU 33 Cb -0.03 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 2wky s GLU 33 CO 0.19 -0.71 0.00 0.41 0.95 0.00 0.00 175.26 176.09 2wky n GLY 34 N -0.42 1.64 0.21 -3.83 0.00 -1.26 -0.57 105.19 100.96 2wky n GLY 34 Ca -0.09 -1.95 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 2wky n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wky h TYR 35 N 0.00 -0.41 0.00 1.61 3.20 -1.05 -1.84 116.97 118.48 2wky h TYR 35 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2wky h TYR 35 Cb 0.00 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2wky h TYR 35 CO 0.00 -0.24 -0.11 0.00 -1.64 0.00 0.00 178.16 176.18 2wky h LEU 37 N 0.00 0.51 -0.51 0.00 3.38 -1.47 0.09 115.31 117.30 2wky h LEU 37 Ca -0.00 -0.37 -0.15 0.00 0.09 0.00 0.00 57.88 57.45 2wky h LEU 37 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2wky h LEU 37 CO 0.01 1.14 -0.39 0.44 0.09 0.00 0.00 178.44 179.74 2wky h ASP 38 N 0.26 0.83 -0.24 -0.43 3.32 -0.67 -0.90 116.42 118.59 2wky h ASP 38 Ca -0.05 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 2wky h ASP 38 Cb 1.44 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2wky h ASP 38 CO 0.14 1.12 0.08 0.25 -1.72 0.00 0.00 179.24 179.12 2wky h LEU 39 N 0.64 0.34 -0.97 1.55 5.85 -0.80 -0.85 115.31 121.08 2wky h LEU 39 Ca 0.05 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2wky h LEU 39 Cb 0.95 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 2wky h LEU 39 CO 0.09 0.44 0.64 0.25 -0.34 0.00 0.00 178.44 179.52 2wky h LEU 40 N 0.22 1.11 -0.46 2.25 5.85 -0.87 0.34 115.31 123.75 2wky h LEU 40 Ca 0.08 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2wky h LEU 40 Cb 0.22 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2wky h LEU 40 CO -0.00 0.81 0.18 0.50 -0.34 0.00 0.00 178.44 179.59 2wky h LYS 41 N 1.31 0.69 -0.75 1.25 3.64 -0.87 -0.93 116.57 120.92 2wky h LYS 41 Ca 0.35 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2wky h LYS 41 Cb -0.15 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 2wky h LYS 41 CO -0.08 0.63 0.31 0.93 -2.27 0.00 0.00 179.45 178.97 2wky h GLU 42 N 0.60 1.12 -0.57 1.90 4.39 -0.28 -2.38 114.58 119.37 2wky h GLU 42 Ca 0.15 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2wky h GLU 42 Cb 0.19 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2wky h GLU 42 CO -0.01 0.91 0.18 -0.07 -1.16 0.00 0.00 179.01 178.85 2wky h LEU 43 N 1.08 0.82 -1.18 1.33 3.38 -0.66 -2.24 115.31 117.85 2wky h LEU 43 Ca 0.25 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2wky h LEU 43 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2wky h LEU 43 CO -0.02 0.81 -0.30 0.77 0.09 0.00 0.00 178.44 179.79 2wky h SER 44 N 0.80 0.18 0.09 -0.43 4.64 -1.00 0.03 113.55 117.85 2wky h SER 44 Ca 0.18 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.27 2wky h SER 44 Cb 0.28 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2wky h SER 44 CO -0.01 0.48 -0.62 0.78 -0.87 0.00 0.00 176.83 176.59 2wky h ASN 45 N 0.16 0.60 -0.00 4.97 2.35 -1.17 0.74 115.58 123.23 2wky h ASN 45 Ca 0.02 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.37 2wky h ASN 45 Cb 0.62 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2wky h ASN 45 CO 0.04 1.07 -0.22 0.40 -1.65 0.00 0.00 177.43 177.08 2wky h ILE 46 N 0.39 1.55 0.00 2.81 2.04 -1.12 -3.31 117.51 119.86 2wky h ILE 46 Ca -0.01 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.94 2wky h ILE 46 Cb 1.18 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 40.01 2wky h ILE 46 CO 0.11 0.52 -0.55 0.18 0.00 0.00 0.00 178.15 178.41 2wky n LEU 47 N -4.53 0.61 -2.85 1.44 4.77 -0.03 -5.00 117.00 111.41 2wky n LEU 47 Ca -0.10 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.03 2wky n LEU 47 Cb 0.49 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2wky n LEU 47 CO 0.39 -0.01 0.20 0.61 -1.33 0.00 0.00 177.39 177.25 2wky n GLY 48 N 1.39 -1.00 3.01 -0.72 0.00 0.25 -5.03 105.19 103.09 2wky n GLY 48 Ca 0.04 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 2wky n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wky s PHE 49 N -3.11 0.42 0.47 1.61 -0.12 -0.93 -5.04 117.98 111.28 2wky s PHE 49 Ca 0.12 -0.47 -0.03 0.00 -0.05 0.00 0.00 56.93 56.50 2wky s PHE 49 Cb -0.02 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 2wky s PHE 49 CO 0.62 -0.13 0.73 -0.51 -0.05 0.00 0.00 175.22 175.88 2wky s LEU 50 N -1.38 3.64 0.02 -1.99 1.43 -1.26 -4.69 118.68 114.44 2wky s LEU 50 Ca -0.12 0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 53.32 2wky s LEU 50 Cb -0.09 -3.50 0.06 0.00 0.03 0.00 0.00 46.19 42.70 2wky s LEU 50 CO -0.00 -0.65 0.61 -0.72 0.23 0.00 0.00 176.35 175.82 2wky s TYR 51 N -2.65 -0.56 -0.16 0.29 -0.85 -1.26 -1.82 117.35 110.35 2wky s TYR 51 Ca 0.47 0.77 0.01 0.00 -0.52 0.00 0.00 57.07 57.80 2wky s TYR 51 Cb -0.10 0.41 0.02 0.00 0.38 0.00 0.00 41.96 42.67 2wky s TYR 51 CO 0.41 -0.66 -0.18 -0.51 -1.52 0.00 0.00 175.55 173.09 2wky s ASP 52 N -1.71 2.92 0.03 -0.18 1.01 -0.15 -4.91 116.67 113.69 2wky s ASP 52 Ca -0.07 -0.57 -0.28 0.00 0.71 0.00 0.00 52.55 52.34 2wky s ASP 52 Cb -0.01 -1.34 -0.05 0.00 1.01 0.00 0.00 42.92 42.53 2wky s ASP 52 CO 0.02 -0.00 0.87 -0.69 0.21 0.00 0.00 175.17 175.58 2wky s VAL 53 N 1.25 4.76 -0.06 -1.27 1.01 -1.26 -1.38 120.40 123.44 2wky s VAL 53 Ca 0.02 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.84 2wky s VAL 53 Cb -0.13 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.05 2wky s VAL 53 CO -0.10 0.27 0.00 -0.75 0.00 0.00 0.00 175.10 174.53 2wky s LYS 54 N 0.41 0.53 0.30 2.72 2.20 0.18 -4.80 119.74 121.28 2wky s LYS 54 Ca 0.45 0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.88 2wky s LYS 54 Cb -0.21 -0.88 -0.11 0.00 -1.51 0.00 0.00 37.83 35.13 2wky s LYS 54 CO 0.26 -0.28 1.46 -0.51 -0.36 0.00 0.00 175.35 175.92 2wky s LEU 55 N 1.85 4.37 0.05 5.43 1.43 -1.26 -2.25 118.68 128.30 2wky s LEU 55 Ca 0.03 2.81 -0.31 0.00 -1.03 0.00 0.00 54.13 55.63 2wky s LEU 55 Cb -0.12 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 2wky s LEU 55 CO -0.04 -0.75 1.94 0.55 0.23 0.00 0.00 176.35 178.27 2wky n VAL 56 N 1.68 0.66 -0.24 -1.59 3.14 -0.31 -4.84 118.33 116.83 2wky n VAL 56 Ca 0.05 -0.12 0.01 0.00 -2.96 0.00 0.00 64.34 61.32 2wky n VAL 56 Cb 0.40 -2.25 0.08 0.00 -1.06 0.00 0.00 33.84 31.01 2wky n VAL 56 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2wky h PRO 57 N 10.01 0.00 -0.07 1.45 0.11 -1.92 -0.91 132.00 140.68 2wky h PRO 57 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wky h PRO 57 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wky h PRO 57 CO 0.94 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 2wky n ASP 58 N -5.46 0.63 -2.44 -2.05 5.68 -1.26 -4.92 116.55 106.72 2wky n ASP 58 Ca 0.09 -1.60 -0.19 0.00 -0.50 0.00 0.00 54.79 52.59 2wky n ASP 58 Cb 0.36 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.29 2wky n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wky n GLY 59 N 0.88 -0.50 3.41 6.12 0.00 -0.35 -4.97 105.19 109.78 2wky n GLY 59 Ca 0.13 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2wky n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wky s LYS 60 N -5.08 1.48 -0.07 1.61 1.02 -1.26 -5.06 119.74 112.38 2wky s LYS 60 Ca 0.02 -1.48 -0.23 0.00 0.02 0.00 0.00 55.97 54.30 2wky s LYS 60 Cb -0.01 -1.85 -0.19 0.00 -0.52 0.00 0.00 37.83 35.27 2wky s LYS 60 CO 0.02 0.41 0.90 1.88 -0.92 0.00 0.00 175.35 177.64 2wky h TYR 61 N 3.39 -0.09 0.00 3.18 0.05 -1.90 -1.77 116.97 119.83 2wky h TYR 61 Ca -0.48 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2wky h TYR 61 Cb 1.20 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.97 2wky h TYR 61 CO 0.66 0.49 0.00 0.41 -1.05 0.00 0.00 178.16 178.67 2wky n GLY 62 N 0.84 2.99 3.78 3.88 0.00 -1.26 -2.06 105.19 113.36 2wky n GLY 62 Ca -0.08 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2wky n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wky s ALA 63 N 0.00 -0.72 0.08 4.61 0.00 -1.26 -4.96 121.76 119.51 2wky s ALA 63 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.31 2wky s ALA 63 Cb 0.00 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2wky s ALA 63 CO 0.00 -0.98 -0.01 -0.65 0.00 0.00 0.00 175.76 174.12 2wky s GLN 64 N -2.94 2.53 0.82 0.00 -0.21 -1.26 -1.79 119.66 116.81 2wky s GLN 64 Ca 0.16 -0.83 -0.07 0.00 0.02 0.00 0.00 55.36 54.63 2wky s GLN 64 Cb -0.05 -2.53 0.16 0.00 1.00 0.00 0.00 33.01 31.59 2wky s GLN 64 CO 0.11 0.55 1.13 0.54 -2.12 0.00 0.00 175.29 175.50 2wky s ASN 65 N -2.21 3.83 0.63 5.90 2.20 -0.19 -4.85 114.94 120.25 2wky s ASN 65 Ca 0.25 -0.11 0.34 0.00 -0.94 0.00 0.00 52.86 52.40 2wky s ASN 65 Cb -0.12 -0.12 1.93 0.00 -2.00 0.00 0.00 41.25 40.94 2wky s ASN 65 CO 0.17 -2.23 2.16 -2.24 -2.94 0.00 0.00 177.10 172.02 2wky h ASP 66 N -0.99 0.00 1.40 3.54 2.03 -2.01 0.24 116.42 120.64 2wky h ASP 66 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 2wky h ASP 66 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2wky h ASP 66 CO 0.39 0.00 -0.27 0.11 -1.03 0.00 0.00 179.24 178.45 2wky h LYS 67 N 0.00 0.00 0.00 4.15 1.57 -2.04 -3.47 116.57 116.77 2wky h LYS 67 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wky h LYS 67 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2wky h LYS 67 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2wky n GLY 68 N 1.25 0.75 3.78 3.86 0.00 0.86 -5.07 105.19 110.62 2wky n GLY 68 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2wky n GLY 68 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wky s GLU 69 N -0.85 4.53 0.54 1.61 2.12 -1.26 -4.72 118.70 120.67 2wky s GLU 69 Ca 0.00 1.19 -0.03 0.00 0.36 0.00 0.00 54.97 56.49 2wky s GLU 69 Cb 0.00 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.42 2wky s GLU 69 CO 0.00 0.40 0.81 -1.58 -0.54 0.00 0.00 175.26 174.36 2wky s TRP 70 N -1.44 3.22 0.02 5.30 0.52 -1.26 -1.02 118.94 124.28 2wky s TRP 70 Ca 0.44 0.47 0.00 0.00 0.02 0.00 0.00 56.10 57.03 2wky s TRP 70 Cb -0.20 -2.59 -0.00 0.00 -1.15 0.00 0.00 33.47 29.53 2wky s TRP 70 CO 0.25 -0.66 0.01 0.27 0.02 0.00 0.00 176.95 176.83 2wky n ASN 71 N -2.40 0.14 -0.15 2.95 0.23 -0.74 -4.74 115.26 110.56 2wky n ASN 71 Ca 0.04 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.99 2wky n ASN 71 Cb 0.58 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.35 2wky n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wky n GLY 72 N 0.37 0.60 0.34 4.83 0.00 -1.26 -1.83 105.19 108.24 2wky n GLY 72 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.19 2wky n GLY 72 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2wky h MET 73 N 0.00 0.80 -0.34 1.61 2.86 -0.73 -1.76 114.93 117.37 2wky h MET 73 Ca 0.00 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2wky h MET 73 Cb 0.00 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.43 2wky h MET 73 CO 0.00 0.53 0.02 0.28 1.06 0.00 0.00 176.91 178.80 2wky h VAL 74 N 0.83 0.77 -0.79 -2.22 2.07 -1.55 -2.00 116.25 113.35 2wky h VAL 74 Ca 0.27 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 2wky h VAL 74 Cb 0.06 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2wky h VAL 74 CO -0.07 0.02 0.42 0.50 0.02 0.00 0.00 177.57 178.46 2wky h LYS 75 N 0.12 1.11 -0.98 1.57 1.63 -0.56 -1.31 116.57 118.15 2wky h LYS 75 Ca 0.16 -0.13 0.04 0.00 -0.85 0.00 0.00 60.65 59.87 2wky h LYS 75 Cb 0.21 -0.22 -0.06 0.00 -0.60 0.00 0.00 32.23 31.57 2wky h LYS 75 CO -0.26 0.83 0.64 0.93 -3.45 0.00 0.00 179.45 178.14 2wky h GLU 76 N 1.11 1.19 -0.08 1.90 4.39 -0.87 -0.63 114.58 121.60 2wky h GLU 76 Ca 0.28 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 2wky h GLU 76 Cb 0.05 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.43 2wky h GLU 76 CO -0.04 0.79 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.42 2wky h LEU 77 N 1.23 0.23 -1.02 1.33 3.38 -0.93 0.83 115.31 120.35 2wky h LEU 77 Ca 0.40 -0.53 0.11 0.00 0.09 0.00 0.00 57.88 57.96 2wky h LEU 77 Cb 0.03 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 2wky h LEU 77 CO -0.13 0.71 0.63 0.40 0.09 0.00 0.00 178.44 180.14 2wky h ILE 78 N -0.25 0.94 -0.06 1.22 2.04 -0.83 -0.81 117.51 119.78 2wky h ILE 78 Ca 0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2wky h ILE 78 Cb 0.66 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2wky h ILE 78 CO 0.03 0.18 0.00 0.47 0.00 0.00 0.00 178.15 178.83 2wky n ASP 79 N -4.60 1.15 -1.93 1.72 8.00 -0.28 -4.92 116.55 115.69 2wky n ASP 79 Ca 0.18 -1.47 -0.16 0.00 0.71 0.00 0.00 54.79 54.05 2wky n ASP 79 Cb 0.34 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2wky n ASP 79 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2wky n HIS 80 N -0.07 -0.92 1.07 1.24 8.25 -0.31 -4.88 115.22 119.61 2wky n HIS 80 Ca 0.18 0.08 0.12 0.00 -0.26 0.00 0.00 57.72 57.85 2wky n HIS 80 Cb 0.28 -3.36 0.23 0.00 1.12 0.00 0.00 29.99 28.26 2wky n HIS 80 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wky n ARG 81 N -2.68 0.32 -3.88 -0.41 1.74 0.25 -4.86 116.66 107.14 2wky n ARG 81 Ca -0.17 -0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 56.59 2wky n ARG 81 Cb 0.63 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.46 2wky n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wky s ALA 82 N -2.82 -0.19 -0.10 7.54 0.00 -1.03 -4.90 121.76 120.27 2wky s ALA 82 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.05 2wky s ALA 82 Cb 0.18 -0.02 -0.26 0.00 0.00 0.00 0.00 23.12 23.02 2wky s ALA 82 CO 0.66 -0.11 0.44 -0.44 0.00 0.00 0.00 175.76 176.30 2wky h ASP 83 N 5.25 0.37 -4.62 0.00 3.32 -0.44 -3.40 116.42 116.90 2wky h ASP 83 Ca -0.28 -0.82 -0.25 0.00 0.02 0.00 0.00 57.03 55.70 2wky h ASP 83 Cb 1.20 -0.12 -0.17 0.00 0.22 0.00 0.00 39.33 40.46 2wky h ASP 83 CO 0.43 1.73 -0.71 -0.76 -1.72 0.00 0.00 179.24 178.21 2wky s LEU 84 N -6.93 2.43 -0.21 1.55 1.43 -0.92 -4.18 118.68 111.86 2wky s LEU 84 Ca -0.19 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 2wky s LEU 84 Cb 0.07 -0.13 0.05 0.00 0.03 0.00 0.00 46.19 46.21 2wky s LEU 84 CO 0.78 -0.37 -0.06 0.00 0.23 0.00 0.00 176.35 176.93 2wky s ALA 85 N -2.88 1.84 -0.32 4.21 0.00 0.10 -0.58 121.76 124.13 2wky s ALA 85 Ca 0.05 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2wky s ALA 85 Cb 0.00 -1.33 0.08 0.00 0.00 0.00 0.00 23.12 21.87 2wky s ALA 85 CO -0.03 -1.04 0.01 0.08 0.00 0.00 0.00 175.76 174.78 2wky s VAL 86 N 1.46 2.53 0.09 0.00 1.01 -0.95 -1.32 120.40 123.22 2wky s VAL 86 Ca -0.03 -1.87 -0.18 0.00 0.00 0.00 0.00 61.98 59.90 2wky s VAL 86 Cb -0.18 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.62 2wky s VAL 86 CO -0.07 -0.32 0.82 0.00 0.00 0.00 0.00 175.10 175.53 2wky n ALA 87 N 4.44 -2.21 -1.88 5.51 0.00 -1.26 -4.59 120.51 120.52 2wky n ALA 87 Ca -0.06 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 2wky n ALA 87 Cb 0.42 0.34 -0.00 0.00 0.00 0.00 0.00 19.45 20.21 2wky n ALA 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wky n PRO 88 N -0.58 3.17 -3.51 0.00 -0.04 -1.26 -4.73 135.00 128.04 2wky n PRO 88 Ca -0.00 -2.86 -0.42 0.00 -0.04 0.00 0.00 63.50 60.19 2wky n PRO 88 Cb 0.43 -3.14 -0.10 0.00 -0.04 0.00 0.00 33.50 30.65 2wky n PRO 88 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wky s LEU 89 N 1.29 4.80 0.13 1.53 2.96 -1.26 -5.06 118.68 123.06 2wky s LEU 89 Ca 0.47 -0.72 -0.31 0.00 -0.22 0.00 0.00 54.13 53.35 2wky s LEU 89 Cb 0.13 -2.13 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 2wky s LEU 89 CO -0.06 -0.35 1.35 -0.89 -1.32 0.00 0.00 176.35 175.08 2wky s THR 90 N 1.68 3.36 -0.56 3.68 2.01 -1.26 -3.04 115.64 121.51 2wky s THR 90 Ca 0.05 1.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.78 2wky s THR 90 Cb -0.18 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.69 2wky s THR 90 CO 0.10 0.10 1.42 -0.63 -0.69 0.00 0.00 174.62 174.91 2wky s ILE 91 N 0.86 3.78 0.33 1.82 1.01 0.12 -4.94 121.20 124.19 2wky s ILE 91 Ca 0.62 0.67 0.10 0.00 0.00 0.00 0.00 60.65 62.03 2wky s ILE 91 Cb -0.36 -4.43 -0.06 0.00 0.01 0.00 0.00 42.46 37.62 2wky s ILE 91 CO 0.32 -1.16 -0.11 0.42 0.00 0.00 0.00 174.94 174.41 2wky s THR 92 N 6.09 2.28 0.11 2.92 -4.23 -1.26 -4.58 115.64 116.96 2wky s THR 92 Ca 0.53 -2.24 -0.27 0.00 -1.18 0.00 0.00 61.69 58.53 2wky s THR 92 Cb -0.11 -2.60 -0.10 0.00 1.34 0.00 0.00 72.50 71.04 2wky s THR 92 CO 0.25 -0.23 1.65 0.22 -0.54 0.00 0.00 174.62 175.97 2wky h TYR 93 N 2.06 -0.60 -0.53 3.99 3.20 -1.99 0.63 116.97 123.73 2wky h TYR 93 Ca -0.42 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.42 2wky h TYR 93 Cb 1.25 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 2wky h TYR 93 CO 0.78 -0.33 0.14 -0.39 -1.64 0.00 0.00 178.16 176.72 2wky h VAL 94 N -0.44 1.22 -0.02 1.81 -1.51 -2.00 -3.01 116.25 112.31 2wky h VAL 94 Ca 0.02 -0.77 -0.23 0.00 -1.23 0.00 0.00 66.70 64.48 2wky h VAL 94 Cb 0.44 0.66 0.01 0.00 -2.13 0.00 0.00 31.29 30.27 2wky h VAL 94 CO -0.11 0.29 -0.93 0.03 -1.23 0.00 0.00 177.57 175.62 2wky h ARG 95 N 0.78 0.51 0.00 5.19 3.08 -1.89 -3.16 114.38 118.90 2wky h ARG 95 Ca 0.18 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2wky h ARG 95 Cb 0.27 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2wky h ARG 95 CO -0.00 1.16 0.00 1.49 -1.07 0.00 0.00 179.97 181.54 2wky h GLU 96 N 0.30 0.00 -0.01 0.04 4.57 -0.74 -1.66 114.58 117.08 2wky h GLU 96 Ca -0.08 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.94 2wky h GLU 96 Cb 1.57 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.14 2wky h GLU 96 CO 0.17 0.00 -0.72 0.87 -1.18 0.00 0.00 179.01 178.15 2wky h LYS 97 N 0.00 0.04 -0.00 1.92 1.57 -1.50 -3.34 116.57 115.26 2wky h LYS 97 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wky h LYS 97 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2wky h LYS 97 CO 0.00 0.74 -0.65 1.33 -0.57 0.00 0.00 179.45 180.30 2wky n VAL 98 N -3.71 0.00 -4.03 0.50 0.24 -0.67 -5.01 118.33 105.66 2wky n VAL 98 Ca -0.01 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 62.01 2wky n VAL 98 Cb 0.70 1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 34.07 2wky n VAL 98 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2wky s ILE 99 N -2.41 0.07 -0.40 1.34 -4.36 -0.96 -4.40 121.20 110.07 2wky s ILE 99 Ca 0.10 -1.56 -0.13 0.00 -0.26 0.00 0.00 60.65 58.80 2wky s ILE 99 Cb 0.13 -1.95 0.04 0.00 1.25 0.00 0.00 42.46 41.93 2wky s ILE 99 CO 0.61 -0.31 0.27 -1.81 0.24 0.00 0.00 174.94 173.94 2wky s ASP 100 N -3.00 5.89 0.22 4.36 1.01 0.29 -4.54 116.67 120.89 2wky s ASP 100 Ca 0.21 -1.07 -0.19 0.00 0.71 0.00 0.00 52.55 52.21 2wky s ASP 100 Cb 0.04 -2.08 -0.08 0.00 1.01 0.00 0.00 42.92 41.81 2wky s ASP 100 CO 0.02 -0.46 0.71 -0.36 0.21 0.00 0.00 175.17 175.29 2wky s PHE 101 N 1.59 3.63 1.02 4.23 0.08 -1.26 -1.66 117.98 125.61 2wky s PHE 101 Ca 0.03 1.35 -0.17 0.00 0.12 0.00 0.00 56.93 58.26 2wky s PHE 101 Cb -0.20 -2.59 0.23 0.00 -0.57 0.00 0.00 43.02 39.89 2wky s PHE 101 CO 0.07 0.33 1.31 -1.54 -0.10 0.00 0.00 175.22 175.29 2wky s SER 102 N -1.69 2.56 0.59 1.36 1.04 0.05 -4.96 113.70 112.65 2wky s SER 102 Ca 0.43 0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.98 2wky s SER 102 Cb -0.16 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.65 2wky s SER 102 CO 0.21 -3.07 1.02 -0.54 0.98 0.00 0.00 173.24 171.84 2wky s LYS 103 N -5.86 3.56 0.12 4.02 1.02 -1.26 -4.50 119.74 116.85 2wky s LYS 103 Ca 0.75 0.94 -0.35 0.00 0.02 0.00 0.00 55.97 57.33 2wky s LYS 103 Cb -0.04 -2.08 -0.16 0.00 -0.52 0.00 0.00 37.83 35.04 2wky s LYS 103 CO 0.54 -0.59 1.38 -2.30 -0.92 0.00 0.00 175.35 173.46 2wky n PRO 104 N -2.27 1.44 0.00 -1.68 -0.02 -1.26 -4.53 135.00 126.69 2wky n PRO 104 Ca 0.07 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 2wky n PRO 104 Cb 0.54 -2.18 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 2wky n PRO 104 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2wky n PHE 105 N 2.59 0.00 -3.65 6.00 1.16 -0.24 -4.90 117.46 118.41 2wky n PHE 105 Ca 0.17 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.68 2wky n PHE 105 Cb 0.23 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.02 2wky n PHE 105 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2wky s MET 106 N -2.09 0.61 -0.06 3.97 0.00 -1.25 -5.02 119.30 115.47 2wky s MET 106 Ca 0.17 1.15 -0.02 0.00 0.00 0.00 0.00 55.69 56.98 2wky s MET 106 Cb 0.15 0.20 -0.04 0.00 0.00 0.00 0.00 34.83 35.15 2wky s MET 106 CO 0.45 -0.16 0.06 0.99 0.00 0.00 0.00 175.02 176.36 2wky s THR 107 N 1.78 4.72 0.00 10.11 2.01 -1.26 -1.62 115.64 131.38 2wky s THR 107 Ca -0.09 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2wky s THR 107 Cb -0.07 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2wky s THR 107 CO -0.18 0.49 0.00 0.00 -0.69 0.00 0.00 174.62 174.25 2wky n LEU 108 N 1.68 0.00 -3.65 4.42 -0.00 0.11 -4.95 117.00 114.61 2wky n LEU 108 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.81 2wky n LEU 108 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.94 2wky n LEU 108 CO 0.33 0.00 0.85 -0.83 -0.00 0.00 0.00 177.39 177.74 2wky s GLY 109 N -0.49 -0.34 0.32 1.47 0.00 -1.26 -0.96 107.32 106.06 2wky s GLY 109 Ca 0.00 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.10 2wky s GLY 109 CO 0.00 0.17 1.09 -0.42 0.00 0.00 0.00 173.10 173.94 2wky s ILE 110 N -2.90 3.52 0.16 0.90 1.01 -1.26 0.88 121.20 123.50 2wky s ILE 110 Ca 0.11 1.41 -0.01 0.00 0.00 0.00 0.00 60.65 62.16 2wky s ILE 110 Cb 0.00 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2wky s ILE 110 CO -0.03 0.25 0.22 -0.24 0.00 0.00 0.00 174.94 175.15 2wky n SER 111 N 0.79 -0.62 -4.35 3.58 2.88 0.14 -0.83 113.62 115.21 2wky n SER 111 Ca 0.01 -1.83 -0.33 0.00 -1.33 0.00 0.00 58.87 55.38 2wky n SER 111 Cb 0.46 1.15 -0.14 0.00 -0.75 0.00 0.00 64.21 64.93 2wky n SER 111 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2wky s ILE 112 N -2.60 3.02 -0.25 2.46 1.01 -1.24 -1.25 121.20 122.34 2wky s ILE 112 Ca 0.13 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 2wky s ILE 112 Cb -0.00 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2wky s ILE 112 CO 0.09 0.52 0.14 -0.22 0.00 0.00 0.00 174.94 175.46 2wky s LEU 113 N 0.50 3.87 0.00 2.97 2.96 0.62 -0.50 118.68 129.10 2wky s LEU 113 Ca -0.09 -0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2wky s LEU 113 Cb -0.16 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.50 2wky s LEU 113 CO 0.04 0.01 0.37 0.00 -1.32 0.00 0.00 176.35 175.45 2wky n TYR 114 N 4.64 -1.30 -2.54 5.38 9.36 -0.92 -0.55 117.16 131.23 2wky n TYR 114 Ca -0.15 -1.43 -0.31 0.00 3.32 0.00 0.00 57.90 59.32 2wky n TYR 114 Cb 0.52 0.42 -0.03 0.00 -0.63 0.00 0.00 39.34 39.62 2wky n TYR 114 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2wky s ARG 115 N -2.40 3.84 1.11 2.98 0.52 -1.26 -1.24 118.95 122.50 2wky s ARG 115 Ca 0.17 0.73 -0.18 0.00 -0.52 0.00 0.00 55.73 55.92 2wky s ARG 115 Cb -0.01 -2.24 0.25 0.00 0.52 0.00 0.00 34.95 33.47 2wky s ARG 115 CO 0.12 -0.20 1.20 0.15 0.02 0.00 0.00 175.30 176.58 2wky s LYS 116 N -4.10 -0.47 -1.29 3.54 -0.14 -0.80 -4.37 119.74 112.11 2wky s LYS 116 Ca 0.55 -0.22 -0.16 0.00 -1.36 0.00 0.00 55.97 54.78 2wky s LYS 116 Cb -0.10 -1.70 0.01 0.00 -1.68 0.00 0.00 37.83 34.36 2wky s LYS 116 CO 0.34 -3.19 0.56 0.41 -0.76 0.00 0.00 175.35 172.70 2wky n GLY 117 N -2.12 -0.63 3.22 -3.33 0.00 -1.26 -4.97 105.19 96.11 2wky n GLY 117 Ca 0.14 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 2wky n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wky s THR 118 N -3.74 0.73 -2.45 2.61 2.01 -1.26 -5.05 115.64 108.49 2wky s THR 118 Ca 0.29 -1.98 0.25 0.00 0.31 0.00 0.00 61.69 60.57 2wky s THR 118 Cb -0.13 -1.98 0.28 0.00 0.01 0.00 0.00 72.50 70.67 2wky s THR 118 CO 0.92 -0.60 1.43 -0.81 -0.69 0.00 0.00 174.62 174.86 2wky n PRO 119 N -0.19 1.66 -2.52 4.92 -0.04 -1.26 -4.89 135.00 132.68 2wky n PRO 119 Ca -0.08 -1.21 -0.42 0.00 -0.04 0.00 0.00 63.50 61.74 2wky n PRO 119 Cb 0.62 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2wky n PRO 119 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2wky s ILE 120 N -2.18 4.32 0.00 0.52 -1.09 -1.26 -4.88 121.20 116.64 2wky s ILE 120 Ca 0.29 1.67 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 2wky s ILE 120 Cb 0.20 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2wky s ILE 120 CO 0.40 0.12 0.37 -0.67 -1.23 0.00 0.00 174.94 173.93 2wky n ASP 121 N 4.06 0.52 -3.75 3.58 2.03 -1.26 -4.88 116.55 116.85 2wky n ASP 121 Ca 0.08 -1.14 -0.03 0.00 0.52 0.00 0.00 54.79 54.22 2wky n ASP 121 Cb 0.48 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.87 2wky n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2wky s SER 122 N -0.14 -0.17 0.24 1.67 1.04 -1.26 -3.35 113.70 111.73 2wky s SER 122 Ca 0.00 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2wky s SER 122 Cb 0.00 0.48 0.25 0.00 0.10 0.00 0.00 66.02 66.85 2wky s SER 122 CO 0.00 -0.89 1.81 0.00 0.98 0.00 0.00 173.24 175.15 2wky h ALA 123 N 2.00 1.13 -0.96 5.32 0.00 -1.98 -2.20 119.26 122.57 2wky h ALA 123 Ca -0.24 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.60 2wky h ALA 123 Cb 1.23 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2wky h ALA 123 CO 0.26 0.63 0.61 0.22 0.00 0.00 0.00 179.25 180.96 2wky h ASP 124 N 1.08 0.85 -0.71 0.00 3.58 -1.96 0.56 116.42 119.81 2wky h ASP 124 Ca 0.25 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.71 2wky h ASP 124 Cb 0.19 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2wky h ASP 124 CO -0.02 0.46 0.33 0.44 -2.88 0.00 0.00 179.24 177.57 2wky h ASP 125 N 0.92 0.94 -0.40 2.28 5.19 -1.79 -1.56 116.42 121.99 2wky h ASP 125 Ca 0.47 -0.14 -0.13 0.00 -0.62 0.00 0.00 57.03 56.60 2wky h ASP 125 Cb 0.50 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 2wky h ASP 125 CO -0.23 0.82 -0.26 -0.07 -3.12 0.00 0.00 179.24 176.39 2wky h LEU 126 N 0.99 0.92 -1.34 1.55 3.38 -1.00 -3.16 115.31 116.66 2wky h LEU 126 Ca 0.24 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2wky h LEU 126 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2wky h LEU 126 CO -0.03 1.15 -0.30 0.00 0.09 0.00 0.00 178.44 179.35 2wky h ALA 127 N 0.80 1.23 -0.56 1.53 0.00 -0.72 -3.12 119.26 118.43 2wky h ALA 127 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wky h ALA 127 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2wky h ALA 127 CO 0.07 0.37 0.00 0.36 0.00 0.00 0.00 179.25 180.05 2wky n LYS 128 N -3.78 3.70 -3.11 0.00 2.85 -0.61 -4.90 118.16 112.31 2wky n LYS 128 Ca -0.01 -2.60 -0.10 0.00 -1.05 0.00 0.00 58.31 54.54 2wky n LYS 128 Cb 0.39 -1.92 -0.04 0.00 -0.65 0.00 0.00 35.03 32.81 2wky n LYS 128 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wky n GLN 129 N 0.87 0.30 0.00 -1.58 -0.00 -1.18 -5.05 117.38 110.74 2wky n GLN 129 Ca 0.23 -1.65 0.00 0.00 -0.00 0.00 0.00 57.00 55.58 2wky n GLN 129 Cb 0.88 1.27 0.00 0.00 -0.00 0.00 0.00 30.24 32.39 2wky n GLN 129 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2wky n THR 130 N -0.34 0.00 -0.10 -0.39 5.66 -1.26 -4.91 114.28 112.94 2wky n THR 130 Ca 0.03 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.91 2wky n THR 130 Cb 0.30 0.60 -0.04 0.00 -1.55 0.00 0.00 70.33 69.64 2wky n THR 130 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2wky h LYS 131 N 0.00 0.57 -5.81 1.09 1.57 -1.98 -3.41 116.57 108.59 2wky h LYS 131 Ca 0.00 -0.23 -0.59 0.00 -1.87 0.00 0.00 60.65 57.96 2wky h LYS 131 Cb 0.00 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.20 2wky h LYS 131 CO 0.00 0.79 0.28 0.42 -0.57 0.00 0.00 179.45 180.37 2wky s ILE 132 N -4.68 4.94 0.60 1.86 1.01 -1.26 -5.03 121.20 118.62 2wky s ILE 132 Ca -0.13 1.44 -0.12 0.00 0.00 0.00 0.00 60.65 61.83 2wky s ILE 132 Cb 0.08 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 2wky s ILE 132 CO 0.78 0.05 1.02 -1.61 0.00 0.00 0.00 174.94 175.18 2wky s GLU 133 N 2.12 3.67 0.01 2.79 2.02 -0.91 -4.91 118.70 123.49 2wky s GLU 133 Ca 0.34 0.78 -0.28 0.00 0.02 0.00 0.00 54.97 55.83 2wky s GLU 133 Cb -0.16 -2.10 0.07 0.00 0.10 0.00 0.00 34.13 32.04 2wky s GLU 133 CO 0.11 -0.50 0.63 1.52 0.02 0.00 0.00 175.26 177.04 2wky s TYR 134 N -3.06 -0.59 0.00 1.61 -0.85 -1.26 -0.14 117.35 113.06 2wky s TYR 134 Ca 0.56 0.85 0.00 0.00 -0.52 0.00 0.00 57.07 57.96 2wky s TYR 134 Cb -0.11 0.43 0.00 0.00 0.38 0.00 0.00 41.96 42.66 2wky s TYR 134 CO 0.49 -0.66 0.00 0.41 -1.52 0.00 0.00 175.55 174.27 2wky n GLY 135 N 0.56 1.82 3.59 5.49 0.00 -0.87 -4.69 105.19 111.09 2wky n GLY 135 Ca -0.19 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 2wky n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wky s ALA 136 N -1.00 0.30 -0.03 4.61 0.00 -1.26 0.16 121.76 124.54 2wky s ALA 136 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.39 2wky s ALA 136 Cb 0.00 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 24.10 2wky s ALA 136 CO 0.00 -0.85 1.13 0.08 0.00 0.00 0.00 175.76 176.12 2wky s VAL 137 N -2.89 4.39 0.35 0.00 1.01 -1.26 -1.69 120.40 120.31 2wky s VAL 137 Ca 0.26 1.70 -0.28 0.00 0.00 0.00 0.00 61.98 63.66 2wky s VAL 137 Cb -0.02 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 2wky s VAL 137 CO 0.17 0.05 1.35 -1.14 0.00 0.00 0.00 175.10 175.54 2wky n ARG 138 N 4.66 2.29 -1.40 2.72 0.63 0.25 -2.89 116.66 122.92 2wky n ARG 138 Ca 0.09 0.80 -0.14 0.00 -0.92 0.00 0.00 57.85 57.68 2wky n ARG 138 Cb 0.47 -2.43 -0.06 0.00 0.45 0.00 0.00 32.46 30.89 2wky n ARG 138 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wky n ASP 139 N 0.74 -5.38 -4.84 6.15 8.00 -1.26 -4.99 116.55 114.98 2wky n ASP 139 Ca 0.04 0.35 -0.22 0.00 0.71 0.00 0.00 54.79 55.67 2wky n ASP 139 Cb 0.37 -4.29 0.08 0.00 -0.02 0.00 0.00 41.12 37.26 2wky n ASP 139 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wky s GLY 140 N -2.46 1.78 0.48 0.44 0.00 -1.14 -4.75 107.32 101.66 2wky s GLY 140 Ca 0.00 -1.71 0.32 0.00 0.00 0.00 0.00 44.72 43.33 2wky s GLY 140 CO 0.00 -1.25 1.94 1.48 0.00 0.00 0.00 173.10 175.27 2wky h SER 141 N -0.17 0.00 -0.02 1.64 4.64 -1.93 -2.39 113.55 115.31 2wky h SER 141 Ca -0.37 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 2wky h SER 141 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2wky h SER 141 CO 0.44 0.00 -0.20 0.74 -0.87 0.00 0.00 176.83 176.94 2wky h THR 142 N 0.00 1.52 -0.73 2.95 2.02 -1.93 -2.10 112.91 114.63 2wky h THR 142 Ca 0.00 -1.81 -0.06 0.00 0.77 0.00 0.00 66.41 65.31 2wky h THR 142 Cb 0.40 2.63 -0.03 0.00 -1.74 0.00 0.00 68.15 69.41 2wky h THR 142 CO 0.00 0.49 0.22 -0.03 0.37 0.00 0.00 175.52 176.58 2wky h MET 143 N -0.47 1.14 -0.24 6.66 -1.53 -1.72 -2.26 114.93 116.51 2wky h MET 143 Ca -0.02 -0.24 -0.04 0.00 -3.44 0.00 0.00 59.70 55.96 2wky h MET 143 Cb 0.91 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.78 2wky h MET 143 CO 0.04 0.97 -0.02 1.15 0.14 0.00 0.00 176.91 179.19 2wky h THR 144 N 1.09 1.16 -0.18 -0.77 2.02 -1.46 0.32 112.91 115.09 2wky h THR 144 Ca 0.24 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2wky h THR 144 Cb 0.31 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2wky h THR 144 CO -0.01 0.21 0.09 0.15 0.37 0.00 0.00 175.52 176.34 2wky h PHE 145 N 0.34 0.25 -0.41 3.16 3.57 -0.78 -1.64 116.94 121.44 2wky h PHE 145 Ca 0.08 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 2wky h PHE 145 Cb 0.26 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2wky h PHE 145 CO 0.01 0.25 -0.14 0.74 -2.23 0.00 0.00 178.31 176.94 2wky h PHE 146 N 0.18 0.94 -0.74 0.41 0.04 -1.22 -1.53 116.94 115.01 2wky h PHE 146 Ca 0.06 -0.22 0.04 0.00 2.80 0.00 0.00 57.97 60.65 2wky h PHE 146 Cb 0.09 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 2wky h PHE 146 CO -0.03 0.97 0.46 -0.22 -0.60 0.00 0.00 178.31 178.89 2wky h LYS 147 N 0.65 0.86 -0.01 1.51 3.64 -0.80 -3.05 116.57 119.37 2wky h LYS 147 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wky h LYS 147 Cb 0.69 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2wky h LYS 147 CO 0.05 0.57 -0.37 1.63 -2.27 0.00 0.00 179.45 179.06 2wky n LYS 148 N -4.65 1.06 -1.82 1.90 4.76 -0.63 -4.99 118.16 113.79 2wky n LYS 148 Ca 0.09 -0.79 -0.35 0.00 -2.87 0.00 0.00 58.31 54.39 2wky n LYS 148 Cb 0.11 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 31.87 2wky n LYS 148 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wky s SER 149 N -2.48 4.89 0.00 4.39 0.15 -0.58 -4.97 113.70 115.11 2wky s SER 149 Ca 0.21 2.35 0.04 0.00 0.70 0.00 0.00 55.95 59.26 2wky s SER 149 Cb 0.19 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2wky s SER 149 CO 0.54 -1.79 0.29 0.29 1.20 0.00 0.00 173.24 173.77 2wky n LYS 150 N -1.99 4.14 -2.09 5.44 4.76 -1.26 -4.69 118.16 122.47 2wky n LYS 150 Ca 0.13 -0.19 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 2wky n LYS 150 Cb 0.50 -0.79 -0.03 0.00 -1.84 0.00 0.00 35.03 32.87 2wky n LYS 150 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wky s ILE 151 N -1.14 3.54 0.26 -0.18 1.09 -1.26 -4.87 121.20 118.64 2wky s ILE 151 Ca 0.03 0.84 -0.07 0.00 -1.10 0.00 0.00 60.65 60.34 2wky s ILE 151 Cb 0.03 -3.54 0.35 0.00 -1.06 0.00 0.00 42.46 38.24 2wky s ILE 151 CO 0.14 -0.03 1.60 0.28 -0.10 0.00 0.00 174.94 176.83 2wky h SER 152 N 8.57 -0.59 -0.77 3.58 0.02 -1.99 0.26 113.55 122.63 2wky h SER 152 Ca -0.39 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2wky h SER 152 Cb 1.18 0.46 -0.04 0.00 0.14 0.00 0.00 62.40 64.14 2wky h SER 152 CO 0.93 -0.26 0.50 0.74 -1.14 0.00 0.00 176.83 177.60 2wky h THR 153 N 0.03 1.20 0.00 -2.27 2.02 -2.00 -2.05 112.91 109.84 2wky h THR 153 Ca 0.45 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 2wky h THR 153 Cb 0.78 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2wky h THR 153 CO -0.82 0.20 -0.34 1.88 0.37 0.00 0.00 175.52 176.81 2wky h TYR 154 N 1.05 0.00 -0.24 3.16 0.05 -1.48 -2.51 116.97 117.00 2wky h TYR 154 Ca 0.28 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.92 2wky h TYR 154 Cb -0.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 2wky h TYR 154 CO -0.02 0.34 -0.45 0.93 -1.05 0.00 0.00 178.16 177.91 2wky h GLU 155 N 0.00 0.61 0.24 4.88 5.08 -0.55 -1.78 114.58 123.06 2wky h GLU 155 Ca -0.00 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2wky h GLU 155 Cb 1.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2wky h GLU 155 CO 0.04 0.94 -0.11 0.87 -1.00 0.00 0.00 179.01 179.75 2wky h LYS 156 N 0.49 -0.31 -0.92 2.33 1.79 -1.26 -2.11 116.57 116.58 2wky h LYS 156 Ca 0.03 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.68 2wky h LYS 156 Cb 0.98 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.62 2wky h LYS 156 CO 0.09 0.03 0.59 0.52 -1.08 0.00 0.00 179.45 179.60 2wky h MET 157 N -0.69 0.67 -0.25 3.15 2.86 -1.44 0.29 114.93 119.53 2wky h MET 157 Ca -0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2wky h MET 157 Cb 0.48 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2wky h MET 157 CO 0.05 0.44 0.08 2.35 1.06 0.00 0.00 176.91 180.89 2wky h TRP 158 N 0.69 0.40 -0.71 -0.22 -0.00 -1.20 -1.12 115.95 113.79 2wky h TRP 158 Ca 0.48 -0.04 0.14 0.00 -0.00 0.00 0.00 58.89 59.47 2wky h TRP 158 Cb 0.80 -0.12 -0.10 0.00 -0.00 0.00 0.00 29.16 29.75 2wky h TRP 158 CO -0.00 0.45 0.23 0.00 -0.00 0.00 0.00 178.44 179.11 2wky h ALA 159 N 0.91 0.94 -0.51 2.65 0.00 -0.27 0.54 119.26 123.53 2wky h ALA 159 Ca 0.08 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2wky h ALA 159 Cb 0.24 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2wky h ALA 159 CO -0.00 -0.27 -0.02 0.35 0.00 0.00 0.00 179.25 179.31 2wky h PHE 160 N 0.35 0.94 -0.17 0.00 3.57 -0.94 -2.85 116.94 117.84 2wky h PHE 160 Ca 0.39 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2wky h PHE 160 Cb 0.61 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2wky h PHE 160 CO -0.21 0.86 -0.07 0.52 -2.23 0.00 0.00 178.31 177.19 2wky h MET 161 N 0.80 0.34 -0.00 1.11 2.86 0.32 -3.18 114.93 117.18 2wky h MET 161 Ca 0.15 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wky h MET 161 Cb 0.51 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2wky h MET 161 CO 0.03 0.64 -0.00 -1.13 1.06 0.00 0.00 176.91 177.50 2wky n SER 162 N -4.63 0.12 -4.84 1.22 3.41 -0.21 -4.05 113.62 104.64 2wky n SER 162 Ca -0.05 -0.89 -0.32 0.00 -0.26 0.00 0.00 58.87 57.34 2wky n SER 162 Cb 0.29 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 2wky n SER 162 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wky s SER 163 N -2.10 6.64 -1.24 4.04 1.04 -1.08 -3.08 113.70 117.93 2wky s SER 163 Ca 0.44 1.61 -0.02 0.00 0.48 0.00 0.00 55.95 58.46 2wky s SER 163 Cb 0.22 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2wky s SER 163 CO 0.38 -0.57 1.01 0.54 0.98 0.00 0.00 173.24 175.58 2wky n ARG 164 N -1.41 -6.75 -3.70 4.02 1.74 -1.26 -2.33 116.66 106.97 2wky n ARG 164 Ca 0.07 0.83 -0.28 0.00 -0.77 0.00 0.00 57.85 57.70 2wky n ARG 164 Cb 0.54 -5.83 0.03 0.00 -1.02 0.00 0.00 32.46 26.18 2wky n ARG 164 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wky n GLN 165 N -4.30 -5.57 -3.70 5.56 3.00 -1.26 -2.30 117.38 108.81 2wky n GLN 165 Ca -0.24 0.65 -0.25 0.00 -0.01 0.00 0.00 57.00 57.15 2wky n GLN 165 Cb 0.65 -5.55 0.06 0.00 0.00 0.00 0.00 30.24 25.40 2wky n GLN 165 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2wky n GLN 166 N -4.55 -6.65 0.18 -1.09 6.02 -0.98 -4.87 117.38 105.43 2wky n GLN 166 Ca 0.02 0.73 0.14 0.00 -0.01 0.00 0.00 57.00 57.87 2wky n GLN 166 Cb 0.54 -5.67 0.55 0.00 1.02 0.00 0.00 30.24 26.68 2wky n GLN 166 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2wky h SER 167 N -2.32 0.00 0.93 1.08 4.64 -1.49 -2.50 113.55 113.89 2wky h SER 167 Ca -0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2wky h SER 167 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2wky h SER 167 CO 0.59 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 176.46 2wky n ALA 168 N -1.88 2.54 -2.44 5.18 0.00 -1.26 -4.85 120.51 117.80 2wky n ALA 168 Ca 0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 2wky n ALA 168 Cb 0.26 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 2wky n ALA 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wky s LEU 169 N -3.05 4.01 0.31 0.00 1.43 -0.94 -3.83 118.68 116.61 2wky s LEU 169 Ca 0.13 0.81 0.10 0.00 -1.03 0.00 0.00 54.13 54.14 2wky s LEU 169 Cb 0.19 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 2wky s LEU 169 CO 0.56 -0.24 -0.08 0.68 0.23 0.00 0.00 176.35 177.50 2wky s VAL 170 N -2.14 2.58 0.12 -1.59 -7.23 -0.68 -4.93 120.40 106.53 2wky s VAL 170 Ca 0.46 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.51 2wky s VAL 170 Cb -0.11 -2.62 -0.22 0.00 0.56 0.00 0.00 36.38 34.00 2wky s VAL 170 CO 0.30 -0.28 1.27 0.50 -0.31 0.00 0.00 175.10 176.58 2wky h LYS 171 N 2.01 0.08 -3.39 4.82 3.64 -1.94 0.72 116.57 122.51 2wky h LYS 171 Ca -0.42 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 58.79 2wky h LYS 171 Cb 1.25 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 2wky h LYS 171 CO 0.65 1.03 0.06 0.54 -2.27 0.00 0.00 179.45 179.47 2wky s ASN 172 N -6.83 0.04 0.25 4.20 2.20 -1.26 -4.62 114.94 108.92 2wky s ASN 172 Ca -0.01 -0.98 -0.06 0.00 -0.94 0.00 0.00 52.86 50.88 2wky s ASN 172 Cb 0.09 0.70 0.26 0.00 -2.00 0.00 0.00 41.25 40.31 2wky s ASN 172 CO 0.83 -1.36 1.87 0.77 -2.94 0.00 0.00 177.10 176.28 2wky h SER 173 N 2.10 1.09 -0.87 3.54 4.64 -1.99 -1.29 113.55 120.77 2wky h SER 173 Ca -0.26 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2wky h SER 173 Cb 1.25 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 2wky h SER 173 CO 0.34 0.86 0.55 0.44 -0.87 0.00 0.00 176.83 178.15 2wky h ASP 174 N 1.22 1.03 -0.29 4.97 3.32 -1.99 0.43 116.42 125.11 2wky h ASP 174 Ca 0.31 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 2wky h ASP 174 Cb 0.01 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 2wky h ASP 174 CO -0.05 0.78 -0.53 -0.08 -1.72 0.00 0.00 179.24 177.64 2wky h GLU 175 N 1.19 0.89 -0.79 3.56 4.81 -1.91 -2.17 114.58 120.15 2wky h GLU 175 Ca 0.32 -0.55 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 2wky h GLU 175 Cb -0.08 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2wky h GLU 175 CO -0.06 1.19 0.42 0.78 -0.73 0.00 0.00 179.01 180.60 2wky h GLY 176 N 0.71 1.20 0.92 1.92 0.00 -0.74 -1.35 103.07 105.73 2wky h GLY 176 Ca 0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2wky h GLY 176 CO 0.12 0.53 0.09 -2.22 0.00 0.00 0.00 176.54 175.06 2wky h ILE 177 N 1.11 1.23 -0.42 2.60 2.04 -0.84 -2.02 117.51 121.20 2wky h ILE 177 Ca 0.28 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 2wky h ILE 177 Cb 0.06 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2wky h ILE 177 CO -0.04 0.27 -0.00 1.56 0.00 0.00 0.00 178.15 179.93 2wky h GLN 178 N 0.45 0.68 -0.59 2.37 1.08 -1.18 -0.92 115.11 117.00 2wky h GLN 178 Ca 0.12 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 2wky h GLN 178 Cb 0.31 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2wky h GLN 178 CO 0.00 0.70 0.05 -0.09 -0.95 0.00 0.00 178.83 178.54 2wky h ARG 179 N 0.64 0.99 -0.49 1.46 2.43 -1.05 -0.03 114.38 118.34 2wky h ARG 179 Ca 0.13 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 2wky h ARG 179 Cb 0.41 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2wky h ARG 179 CO 0.02 0.95 0.01 0.28 -1.51 0.00 0.00 179.97 179.71 2wky h VAL 180 N 0.92 1.26 -0.30 0.20 2.07 -0.92 0.12 116.25 119.61 2wky h VAL 180 Ca 0.18 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 2wky h VAL 180 Cb 0.47 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2wky h VAL 180 CO 0.02 0.37 -0.20 -0.07 0.02 0.00 0.00 177.57 177.70 2wky h LEU 181 N 0.71 0.55 0.00 2.57 3.38 -0.78 -3.34 115.31 118.41 2wky h LEU 181 Ca 0.14 -0.18 -0.34 0.00 0.09 0.00 0.00 57.88 57.59 2wky h LEU 181 Cb 0.50 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2wky h LEU 181 CO 0.02 0.76 -2.14 0.41 0.09 0.00 0.00 178.44 177.58 2wky n THR 182 N -4.14 1.48 -4.64 0.22 -1.04 -0.06 -5.02 114.28 101.08 2wky n THR 182 Ca 0.00 -0.82 -0.28 0.00 -2.04 0.00 0.00 64.05 60.91 2wky n THR 182 Cb 0.39 -0.73 -0.06 0.00 -1.82 0.00 0.00 70.33 68.11 2wky n THR 182 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wky n THR 183 N -2.89 0.00 -2.59 12.58 -2.24 0.02 -5.04 114.28 114.13 2wky n THR 183 Ca -0.28 -2.16 -0.43 0.00 -2.27 0.00 0.00 64.05 58.92 2wky n THR 183 Cb 1.11 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 2wky n THR 183 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wky n ASP 184 N -1.33 5.19 -4.10 3.42 2.03 -1.26 -4.61 116.55 115.90 2wky n ASP 184 Ca -0.17 -3.08 -0.23 0.00 0.52 0.00 0.00 54.79 51.84 2wky n ASP 184 Cb 0.57 -1.50 -0.15 0.00 -0.72 0.00 0.00 41.12 39.32 2wky n ASP 184 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2wky s TYR 185 N 0.64 1.31 -0.09 -0.67 5.04 -1.26 -2.14 117.35 120.17 2wky s TYR 185 Ca 0.40 -0.29 -0.00 0.00 -2.44 0.00 0.00 57.07 54.74 2wky s TYR 185 Cb 0.05 -0.86 -0.03 0.00 0.35 0.00 0.00 41.96 41.47 2wky s TYR 185 CO 0.01 -0.06 -0.07 0.00 -1.34 0.00 0.00 175.55 174.09 2wky s ALA 186 N -0.18 2.95 -0.23 3.97 0.00 0.80 -4.42 121.76 124.64 2wky s ALA 186 Ca 0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 2wky s ALA 186 Cb -0.07 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2wky s ALA 186 CO 0.00 0.46 0.00 -1.17 0.00 0.00 0.00 175.76 175.06 2wky s LEU 187 N -0.43 3.14 -0.31 0.00 2.96 0.28 -2.05 118.68 122.27 2wky s LEU 187 Ca 0.06 -0.34 -0.27 0.00 -0.22 0.00 0.00 54.13 53.37 2wky s LEU 187 Cb -0.12 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2wky s LEU 187 CO 0.02 -0.03 0.98 -0.76 -1.32 0.00 0.00 176.35 175.24 2wky s LEU 188 N 1.53 3.99 0.10 -0.68 1.43 0.12 -0.27 118.68 124.91 2wky s LEU 188 Ca 0.06 0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 53.95 2wky s LEU 188 Cb -0.15 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 42.70 2wky s LEU 188 CO -0.00 -0.79 0.30 -0.32 0.23 0.00 0.00 176.35 175.76 2wky s MET 189 N 3.41 0.95 0.23 1.70 1.75 -0.38 -4.42 119.30 122.53 2wky s MET 189 Ca 0.41 -0.81 -0.30 0.00 -1.25 0.00 0.00 55.69 53.74 2wky s MET 189 Cb -0.13 0.40 -0.10 0.00 2.84 0.00 0.00 34.83 37.85 2wky s MET 189 CO 0.14 -0.34 1.46 -1.21 -0.65 0.00 0.00 175.02 174.42 2wky s GLU 190 N -3.74 4.26 0.35 4.11 2.02 -1.26 -0.68 118.70 123.76 2wky s GLU 190 Ca 0.03 2.30 0.16 0.00 0.02 0.00 0.00 54.97 57.47 2wky s GLU 190 Cb 0.03 -3.13 1.11 0.00 0.10 0.00 0.00 34.13 32.24 2wky s GLU 190 CO -0.11 -0.45 1.66 0.66 0.02 0.00 0.00 175.26 177.04 2wky h SER 191 N 5.45 0.50 -0.14 -0.19 4.64 0.18 -1.38 113.55 122.62 2wky h SER 191 Ca -0.45 0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.08 2wky h SER 191 Cb 1.21 0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 2wky h SER 191 CO 0.81 -0.13 -0.01 0.71 -0.87 0.00 0.00 176.83 177.33 2wky h THR 192 N 0.31 0.89 -0.16 2.95 1.35 -1.90 -0.30 112.91 116.05 2wky h THR 192 Ca 0.74 -0.01 -0.11 0.00 -0.55 0.00 0.00 66.41 66.47 2wky h THR 192 Cb 1.72 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 2wky h THR 192 CO -0.58 0.01 -0.40 0.28 -0.25 0.00 0.00 175.52 174.58 2wky h SER 193 N 0.03 0.38 -0.66 5.36 0.02 -1.65 -2.59 113.55 114.44 2wky h SER 193 Ca 0.07 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 2wky h SER 193 Cb 0.09 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2wky h SER 193 CO -0.12 0.74 0.17 0.40 -1.14 0.00 0.00 176.83 176.88 2wky h ILE 194 N 0.30 1.26 -0.83 3.27 2.04 -1.04 -2.45 117.51 120.06 2wky h ILE 194 Ca 0.03 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 2wky h ILE 194 Cb 0.83 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2wky h ILE 194 CO 0.07 0.36 0.38 -0.08 0.00 0.00 0.00 178.15 178.88 2wky h GLU 195 N 1.02 1.20 -0.81 2.37 4.81 -0.79 0.06 114.58 122.46 2wky h GLU 195 Ca 0.22 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2wky h GLU 195 Cb 0.36 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2wky h GLU 195 CO 0.00 0.94 0.46 -0.92 -0.73 0.00 0.00 179.01 178.76 2wky h TYR 196 N 1.19 1.09 0.31 0.92 3.20 -1.09 -2.60 116.97 119.99 2wky h TYR 196 Ca 0.28 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2wky h TYR 196 Cb 0.14 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.06 2wky h TYR 196 CO 0.02 0.74 -0.15 0.28 -1.64 0.00 0.00 178.16 177.41 2wky h VAL 197 N 1.11 0.54 -0.65 1.81 2.07 -0.96 -3.24 116.25 116.93 2wky h VAL 197 Ca 0.29 -0.77 0.18 0.00 0.82 0.00 0.00 66.70 67.22 2wky h VAL 197 Cb -0.00 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2wky h VAL 197 CO -0.05 0.12 0.46 0.71 0.02 0.00 0.00 177.57 178.83 2wky h THR 198 N -0.92 0.69 0.00 2.57 1.35 -1.01 0.28 112.91 115.88 2wky h THR 198 Ca -0.04 -0.01 -0.05 0.00 -0.55 0.00 0.00 66.41 65.76 2wky h THR 198 Cb 0.51 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 2wky h THR 198 CO 0.07 0.01 -0.23 1.56 -0.25 0.00 0.00 175.52 176.68 2wky h GLN 199 N 0.04 0.00 0.00 4.72 4.20 -1.53 -3.26 115.11 119.28 2wky h GLN 199 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 2wky h GLN 199 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2wky h GLN 199 CO -0.02 0.23 -1.40 0.54 -0.67 0.00 0.00 178.83 177.52 2wky n ARG 200 N -3.30 0.94 -3.72 1.46 1.74 0.55 -3.06 116.66 111.28 2wky n ARG 200 Ca 0.01 -0.10 -0.30 0.00 -0.77 0.00 0.00 57.85 56.70 2wky n ARG 200 Cb 0.49 -1.34 -0.14 0.00 -1.02 0.00 0.00 32.46 30.45 2wky n ARG 200 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2wky s ASN 201 N -3.39 3.89 0.04 0.55 3.84 0.69 -4.98 114.94 115.58 2wky s ASN 201 Ca -0.02 -1.90 0.07 0.00 0.21 0.00 0.00 52.86 51.23 2wky s ASN 201 Cb 0.11 -0.88 0.34 0.00 -0.55 0.00 0.00 41.25 40.26 2wky s ASN 201 CO 0.66 -0.38 1.23 0.00 -2.79 0.00 0.00 177.10 175.83 2wky n ASN 203 N -1.59 0.63 -4.59 0.00 3.02 -1.26 -4.84 115.26 106.63 2wky n ASN 203 Ca 0.01 0.57 -0.25 0.00 -0.03 0.00 0.00 54.58 54.88 2wky n ASN 203 Cb 0.07 -0.74 -0.09 0.00 -0.61 0.00 0.00 39.78 38.41 2wky n ASN 203 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wky s LEU 204 N -4.22 2.88 0.30 3.41 1.43 -0.71 -1.90 118.68 119.88 2wky s LEU 204 Ca 0.10 -1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.01 2wky s LEU 204 Cb 0.13 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 45.14 2wky s LEU 204 CO 0.55 -0.20 0.62 0.28 0.23 0.00 0.00 176.35 177.83 2wky s THR 205 N -2.54 0.00 -0.07 5.49 -1.32 -0.37 -4.73 115.64 112.10 2wky s THR 205 Ca 0.34 -1.22 -0.12 0.00 -1.21 0.00 0.00 61.69 59.48 2wky s THR 205 Cb 0.00 -2.36 -0.05 0.00 -1.51 0.00 0.00 72.50 68.58 2wky s THR 205 CO 0.18 0.00 0.30 -1.58 -2.21 0.00 0.00 174.62 171.31 2wky s GLN 206 N -3.45 3.81 -0.17 7.08 0.74 -1.26 -2.17 119.66 124.24 2wky s GLN 206 Ca 0.19 0.17 -0.06 0.00 0.05 0.00 0.00 55.36 55.70 2wky s GLN 206 Cb -0.03 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 2wky s GLN 206 CO 0.11 0.64 0.03 0.42 -0.55 0.00 0.00 175.29 175.94 2wky s ILE 207 N -0.79 4.52 0.00 -2.34 -1.09 0.35 -4.97 121.20 116.87 2wky s ILE 207 Ca 0.19 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2wky s ILE 207 Cb -0.14 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2wky s ILE 207 CO 0.08 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 2wky n GLY 208 N 3.51 -0.21 0.00 6.18 0.00 -1.21 -3.70 105.19 109.76 2wky n GLY 208 Ca -0.17 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2wky n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wky n GLY 209 N 0.00 4.22 3.74 -0.02 0.00 -1.26 -4.92 105.19 106.95 2wky n GLY 209 Ca 0.00 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 2wky n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wky s LEU 210 N 0.00 4.36 0.00 0.99 1.02 -1.26 -4.53 118.68 119.26 2wky s LEU 210 Ca 0.00 1.08 0.26 0.00 0.02 0.00 0.00 54.13 55.49 2wky s LEU 210 Cb 0.00 -2.90 0.75 0.00 0.02 0.00 0.00 46.19 44.06 2wky s LEU 210 CO 0.00 0.02 1.57 2.30 0.02 0.00 0.00 176.35 180.26 2wky n ILE 211 N 3.23 0.00 -3.87 -0.59 -5.35 -0.01 -4.95 119.36 107.84 2wky n ILE 211 Ca -0.05 -0.03 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 2wky n ILE 211 Cb 0.51 0.13 0.01 0.00 -1.74 0.00 0.00 39.64 38.55 2wky n ILE 211 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2wky s ASP 212 N -2.83 0.22 -0.04 7.28 -4.77 -1.26 -4.96 116.67 110.31 2wky s ASP 212 Ca 0.16 -1.24 0.02 0.00 -3.30 0.00 0.00 52.55 48.19 2wky s ASP 212 Cb 0.18 0.82 0.01 0.00 -1.09 0.00 0.00 42.92 42.85 2wky s ASP 212 CO 0.61 -1.62 -0.07 -0.55 0.70 0.00 0.00 175.17 174.24 2wky s SER 213 N -3.11 1.11 0.32 2.11 0.15 -1.26 -4.18 113.70 108.83 2wky s SER 213 Ca 0.19 -0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.48 2wky s SER 213 Cb -0.04 -0.44 0.04 0.00 -1.71 0.00 0.00 66.02 63.87 2wky s SER 213 CO 0.14 0.00 0.78 -1.59 1.20 0.00 0.00 173.24 173.77 2wky s LYS 214 N 0.57 1.93 0.17 5.44 -2.85 -0.14 -4.99 119.74 119.88 2wky s LYS 214 Ca -0.09 -1.16 -0.03 0.00 -1.00 0.00 0.00 55.97 53.69 2wky s LYS 214 Cb -0.12 0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 36.21 2wky s LYS 214 CO 0.01 -0.90 0.15 0.20 0.10 0.00 0.00 175.35 174.92 2wky s GLY 215 N -3.01 1.07 -0.12 0.59 0.00 -1.26 -0.72 107.32 103.87 2wky s GLY 215 Ca 0.13 -1.44 -0.06 0.00 0.00 0.00 0.00 44.72 43.36 2wky s GLY 215 CO 0.09 -1.24 0.10 -0.19 0.00 0.00 0.00 173.10 171.85 2wky s TYR 216 N -4.08 3.44 0.07 1.90 2.02 -0.64 -0.70 117.35 119.36 2wky s TYR 216 Ca 0.29 0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 57.38 2wky s TYR 216 Cb 0.06 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 2wky s TYR 216 CO 0.06 0.59 -0.03 0.20 -1.57 0.00 0.00 175.55 174.81 2wky s GLY 217 N -0.78 0.58 -0.01 0.71 0.00 -1.17 -1.08 107.32 105.57 2wky s GLY 217 Ca 0.13 -1.26 -0.30 0.00 0.00 0.00 0.00 44.72 43.29 2wky s GLY 217 CO 0.03 -1.35 0.99 0.14 0.00 0.00 0.00 173.10 172.91 2wky s VAL 218 N -3.87 4.82 0.15 1.40 1.01 -1.26 -4.70 120.40 117.95 2wky s VAL 218 Ca 0.10 2.03 -0.14 0.00 0.00 0.00 0.00 61.98 63.97 2wky s VAL 218 Cb 0.07 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 2wky s VAL 218 CO -0.08 0.14 0.54 -0.83 0.00 0.00 0.00 175.10 174.88 2wky s GLY 219 N 1.02 2.44 0.06 4.51 0.00 -0.44 -0.77 107.32 114.14 2wky s GLY 219 Ca 0.52 -0.16 -0.05 0.00 0.00 0.00 0.00 44.72 45.04 2wky s GLY 219 CO 0.27 0.11 0.08 -0.51 0.00 0.00 0.00 173.10 173.05 2wky s THR 220 N -1.48 0.17 0.53 0.90 -4.23 -0.66 -0.72 115.64 110.15 2wky s THR 220 Ca 0.38 -1.43 -0.21 0.00 -1.18 0.00 0.00 61.69 59.25 2wky s THR 220 Cb -0.15 -1.34 -0.05 0.00 1.34 0.00 0.00 72.50 72.30 2wky s THR 220 CO 0.19 -0.79 1.24 -2.84 -0.54 0.00 0.00 174.62 171.88 2wky s PRO 221 N -3.69 3.31 0.20 3.99 0.02 -1.26 -0.55 135.00 137.02 2wky s PRO 221 Ca 0.04 1.93 -0.32 0.00 0.02 0.00 0.00 61.00 62.67 2wky s PRO 221 Cb 0.05 -2.20 -0.15 0.00 0.02 0.00 0.00 34.50 32.22 2wky s PRO 221 CO -0.10 -0.96 1.32 -0.89 -0.33 0.00 0.00 177.00 176.04 2wky n ILE 222 N -1.02 0.78 -0.21 2.83 5.41 -1.26 -0.53 119.36 125.36 2wky n ILE 222 Ca 0.10 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2wky n ILE 222 Cb 0.48 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 2wky n ILE 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wky n GLY 223 N 2.23 1.27 3.68 7.39 0.00 -1.26 -4.95 105.19 113.54 2wky n GLY 223 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 2wky n GLY 223 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wky n SER 224 N 0.00 2.87 -0.00 1.61 2.88 0.31 -4.88 113.62 116.41 2wky n SER 224 Ca 0.00 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.82 2wky n SER 224 Cb 0.00 -1.45 0.61 0.00 -0.75 0.00 0.00 64.21 62.62 2wky n SER 224 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wky n PRO 225 N 1.98 0.04 0.12 -1.46 -0.04 -1.26 -3.43 135.00 130.95 2wky n PRO 225 Ca 0.11 -0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 2wky n PRO 225 Cb 0.32 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.30 2wky n PRO 225 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2wky h TYR 226 N 0.00 0.00 -0.25 0.54 -1.99 -1.96 -3.39 116.97 109.92 2wky h TYR 226 Ca 0.00 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.78 2wky h TYR 226 Cb 0.48 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.14 2wky h TYR 226 CO 0.00 0.30 -0.45 -0.09 -0.00 0.00 0.00 178.16 177.92 2wky h ARG 227 N 0.00 -0.42 -0.16 4.88 2.43 -1.91 0.88 114.38 120.07 2wky h ARG 227 Ca -0.04 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 2wky h ARG 227 Cb 1.27 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 2wky h ARG 227 CO 0.03 -0.28 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.35 2wky h ASP 228 N -0.44 0.40 -0.40 -3.80 3.32 -1.82 -0.09 116.42 113.59 2wky h ASP 228 Ca 0.09 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 2wky h ASP 228 Cb 0.62 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2wky h ASP 228 CO -0.48 0.77 0.04 0.11 -1.72 0.00 0.00 179.24 177.96 2wky h LYS 229 N 0.32 0.76 -0.11 3.56 1.57 -1.64 -0.08 116.57 120.94 2wky h LYS 229 Ca 0.03 -0.18 -0.24 0.00 -1.87 0.00 0.00 60.65 58.39 2wky h LYS 229 Cb 0.87 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.09 2wky h LYS 229 CO 0.07 0.74 -0.85 0.82 -0.57 0.00 0.00 179.45 179.66 2wky h ILE 230 N 0.72 1.28 -0.73 1.86 2.04 -0.58 -1.81 117.51 120.29 2wky h ILE 230 Ca 0.15 -2.06 0.05 0.00 1.00 0.00 0.00 64.86 64.00 2wky h ILE 230 Cb 0.38 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 2wky h ILE 230 CO 0.01 0.65 0.44 0.74 0.00 0.00 0.00 178.15 179.99 2wky h THR 231 N 0.49 1.04 -0.40 -0.27 2.02 -0.60 0.96 112.91 116.15 2wky h THR 231 Ca -0.07 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 2wky h THR 231 Cb 1.49 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2wky h THR 231 CO 0.17 0.15 -0.18 0.40 0.37 0.00 0.00 175.52 176.43 2wky h ILE 232 N 0.83 1.27 -0.17 3.11 2.04 -0.91 -1.62 117.51 122.06 2wky h ILE 232 Ca 0.31 -1.27 -0.15 0.00 1.00 0.00 0.00 64.86 64.76 2wky h ILE 232 Cb 0.11 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2wky h ILE 232 CO -0.15 0.43 -0.52 0.00 0.00 0.00 0.00 178.15 177.91 2wky h ALA 233 N 1.12 0.79 -0.37 1.87 0.00 -0.73 -2.24 119.26 119.72 2wky h ALA 233 Ca 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2wky h ALA 233 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2wky h ALA 233 CO 0.05 0.68 0.15 0.82 0.00 0.00 0.00 179.25 180.95 2wky h ILE 234 N 0.37 1.19 -0.77 0.00 2.04 -0.50 -0.11 117.51 119.72 2wky h ILE 234 Ca 0.01 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2wky h ILE 234 Cb 1.03 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2wky h ILE 234 CO 0.09 0.21 0.49 -0.07 0.00 0.00 0.00 178.15 178.87 2wky h LEU 235 N 0.45 0.89 -0.27 1.44 3.38 -1.20 0.07 115.31 120.07 2wky h LEU 235 Ca 0.12 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2wky h LEU 235 Cb 0.18 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2wky h LEU 235 CO -0.01 0.66 -0.02 -0.61 0.09 0.00 0.00 178.44 178.56 2wky h GLN 236 N 1.05 0.49 -0.87 1.13 4.15 -0.94 -1.29 115.11 118.83 2wky h GLN 236 Ca 0.28 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 2wky h GLN 236 Cb -0.09 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.52 2wky h GLN 236 CO -0.06 0.66 0.48 -0.07 -1.93 0.00 0.00 178.83 177.91 2wky h LEU 237 N 0.26 1.08 -0.29 -2.39 3.38 -0.45 -1.62 115.31 115.28 2wky h LEU 237 Ca 0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2wky h LEU 237 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2wky h LEU 237 CO 0.02 0.87 -0.04 -0.61 0.09 0.00 0.00 178.44 178.76 2wky h GLN 238 N 1.21 0.53 -0.01 1.13 -0.00 -0.84 -1.31 115.11 115.83 2wky h GLN 238 Ca 0.31 -0.19 -0.04 0.00 -0.00 0.00 0.00 58.65 58.73 2wky h GLN 238 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 2wky h GLN 238 CO -0.05 0.71 -0.17 0.93 0.00 0.00 0.00 178.83 180.26 2wky h GLU 239 N 0.30 0.01 -0.00 1.69 5.08 -0.95 -1.83 114.58 118.89 2wky h GLU 239 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2wky h GLU 239 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2wky h GLU 239 CO 0.02 0.18 -0.09 0.39 -1.00 0.00 0.00 179.01 178.51 2wky n GLU 240 N -4.33 0.84 -0.76 2.33 1.02 -0.64 -4.91 120.64 114.19 2wky n GLU 240 Ca -0.02 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 2wky n GLU 240 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 2wky n GLU 240 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wky n GLY 241 N 1.24 0.82 0.31 0.62 0.00 -0.69 -4.94 105.19 102.55 2wky n GLY 241 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2wky n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wky h LYS 242 N 3.08 1.10 -0.62 1.61 1.57 -1.46 -1.61 116.57 120.23 2wky h LYS 242 Ca 0.00 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 2wky h LYS 242 Cb 0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2wky h LYS 242 CO 0.00 1.04 0.20 -0.07 -0.57 0.00 0.00 179.45 180.05 2wky h LEU 243 N 1.01 0.87 -0.16 2.94 3.38 -1.82 0.22 115.31 121.75 2wky h LEU 243 Ca 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2wky h LEU 243 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wky h LEU 243 CO 0.02 0.81 0.04 -0.74 0.09 0.00 0.00 178.44 178.66 2wky h HIS 244 N 0.91 0.27 -0.41 1.13 2.76 -1.80 -1.20 115.15 116.81 2wky h HIS 244 Ca 0.21 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.37 2wky h HIS 244 Cb 0.25 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 2wky h HIS 244 CO 0.02 0.39 0.23 0.52 -1.30 0.00 0.00 177.93 177.79 2wky h MET 245 N 0.07 0.45 -0.72 5.26 2.86 -0.86 -1.41 114.93 120.58 2wky h MET 245 Ca 0.05 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2wky h MET 245 Cb 0.26 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 2wky h MET 245 CO 0.00 0.30 0.44 0.52 1.06 0.00 0.00 176.91 179.23 2wky h MET 246 N 0.46 0.81 -0.18 1.72 2.07 -0.83 0.34 114.93 119.33 2wky h MET 246 Ca 0.17 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.74 2wky h MET 246 Cb 0.04 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 29.57 2wky h MET 246 CO -0.09 0.54 0.09 -0.22 1.07 0.00 0.00 176.91 178.29 2wky h LYS 247 N 0.84 0.26 -0.62 1.72 3.64 -0.74 -2.51 116.57 119.16 2wky h LYS 247 Ca 0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2wky h LYS 247 Cb 0.08 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2wky h LYS 247 CO -0.14 0.29 0.40 0.93 -2.27 0.00 0.00 179.45 178.67 2wky h GLU 248 N 0.16 0.82 -0.59 1.90 5.08 -0.76 -0.31 114.58 120.88 2wky h GLU 248 Ca 0.06 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2wky h GLU 248 Cb 0.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2wky h GLU 248 CO -0.01 0.55 0.14 -0.22 -1.00 0.00 0.00 179.01 178.47 2wky h LYS 249 N 0.84 0.92 0.00 2.33 3.64 -0.63 -2.52 116.57 121.15 2wky h LYS 249 Ca 0.23 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2wky h LYS 249 Cb -0.09 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2wky h LYS 249 CO -0.05 0.82 -1.64 0.91 -2.27 0.00 0.00 179.45 177.22 2wky n TRP 250 N -4.26 0.39 0.54 1.91 7.02 -0.93 -4.25 117.44 117.86 2wky n TRP 250 Ca 0.04 0.11 0.11 0.00 -1.02 0.00 0.00 57.50 56.75 2wky n TRP 250 Cb 0.24 -0.71 0.06 0.00 -2.42 0.00 0.00 31.31 28.48 2wky n TRP 250 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2wky n TRP 251 N -2.46 0.37 -1.30 -5.99 8.01 -0.17 -4.90 117.44 111.00 2wky n TRP 251 Ca -0.04 0.11 -0.51 0.00 -1.31 0.00 0.00 57.50 55.75 2wky n TRP 251 Cb 0.60 -0.52 -0.07 0.00 -2.01 0.00 0.00 31.31 29.31 2wky n TRP 251 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.69 179.57 2wky n ARG 252 N -2.04 0.00 -4.01 -0.99 1.85 -0.95 -4.92 116.66 105.61 2wky n ARG 252 Ca 0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.77 2wky n ARG 252 Cb 0.44 -1.13 -0.07 0.00 -1.05 0.00 0.00 32.46 30.65 2wky n ARG 252 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2wky s GLY 253 N 1.99 0.63 0.37 2.89 0.00 -1.26 -5.03 107.32 106.91 2wky s GLY 253 Ca 0.78 -1.01 0.07 0.00 0.00 0.00 0.00 44.72 44.56 2wky s GLY 253 CO 0.60 -0.90 1.91 3.43 0.00 0.00 0.00 173.10 178.14 2wky h ASN 254 N 2.52 0.34 -4.86 1.64 -0.26 -1.94 -3.49 115.58 109.53 2wky h ASN 254 Ca -0.31 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 2wky h ASN 254 Cb 1.23 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 2wky h ASN 254 CO 0.47 0.44 0.00 0.61 -1.06 0.00 0.00 177.43 177.90 2wky n GLY 255 N -0.92 -2.29 3.17 2.83 0.00 -1.17 -5.05 105.19 101.75 2wky n GLY 255 Ca 0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 2wky n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wky s PRO 257 N -2.17 3.19 0.00 0.00 0.02 -1.26 -5.15 135.00 129.63 2wky s PRO 257 Ca -0.08 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.50 2wky s PRO 257 Cb -0.03 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2wky s PRO 257 CO -0.02 -0.97 0.00 -1.91 -0.33 0.00 0.00 177.00 173.77