#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwy s PRO 6 N 0.00 1.52 0.19 1.61 0.04 -1.26 -4.82 135.00 132.27 2pwy s PRO 6 Ca 0.00 0.72 0.07 0.00 0.04 0.00 0.00 61.00 61.83 2pwy s PRO 6 Cb 0.00 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2pwy s PRO 6 CO 0.00 -2.04 0.04 -0.51 0.04 0.00 0.00 177.00 174.53 2pwy s LEU 7 N -6.06 3.43 -0.16 -3.56 1.43 0.76 -4.31 118.68 110.21 2pwy s LEU 7 Ca 0.63 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2pwy s LEU 7 Cb -0.17 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.01 2pwy s LEU 7 CO 0.56 0.07 -0.18 -0.22 0.23 0.00 0.00 176.35 176.81 2pwy s LEU 8 N -3.11 2.32 -0.10 1.79 2.96 0.19 -0.64 118.68 122.09 2pwy s LEU 8 Ca 0.29 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2pwy s LEU 8 Cb -0.09 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 2pwy s LEU 8 CO 0.20 0.06 0.07 -0.76 -1.32 0.00 0.00 176.35 174.60 2pwy s LEU 9 N 0.92 3.97 -0.05 -0.68 1.43 0.35 -0.80 118.68 123.82 2pwy s LEU 9 Ca -0.04 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2pwy s LEU 9 Cb -0.15 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 2pwy s LEU 9 CO -0.03 0.39 -0.18 -0.54 0.23 0.00 0.00 176.35 176.23 2pwy s LYS 10 N -0.95 1.92 0.73 1.70 1.02 -0.61 -0.60 119.74 122.94 2pwy s LYS 10 Ca 0.14 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.51 2pwy s LYS 10 Cb -0.12 -1.64 0.14 0.00 -0.52 0.00 0.00 37.83 35.70 2pwy s LYS 10 CO 0.03 0.23 1.00 0.16 -0.92 0.00 0.00 175.35 175.85 2pwy s ASP 11 N 0.09 4.30 0.48 2.83 1.47 -0.89 -0.26 116.67 124.70 2pwy s ASP 11 Ca -0.06 -0.56 0.21 0.00 1.18 0.00 0.00 52.55 53.33 2pwy s ASP 11 Cb -0.12 0.25 1.20 0.00 -0.34 0.00 0.00 42.92 43.91 2pwy s ASP 11 CO 0.03 -1.91 2.01 0.08 0.68 0.00 0.00 175.17 176.06 2pwy h ARG 12 N -0.50 0.00 0.00 2.11 -0.00 -1.92 -1.20 114.38 112.87 2pwy h ARG 12 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.65 2pwy h ARG 12 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.23 2pwy h ARG 12 CO 0.37 0.18 0.00 0.36 -0.00 0.00 0.00 179.97 180.88 2pwy n LYS 13 N -3.89 0.27 -0.56 0.08 -0.00 -1.26 -4.91 118.16 107.88 2pwy n LYS 13 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2pwy n LYS 13 Cb 0.27 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.80 2pwy n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pwy n GLY 14 N 1.19 0.75 3.75 2.58 0.00 -0.45 -5.05 105.19 107.95 2pwy n GLY 14 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2pwy n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pwy s ARG 15 N -0.44 4.31 -0.02 1.61 3.03 -1.26 -4.79 118.95 121.40 2pwy s ARG 15 Ca 0.00 2.24 0.03 0.00 2.03 0.00 0.00 55.73 60.03 2pwy s ARG 15 Cb 0.00 -3.10 -0.03 0.00 -1.03 0.00 0.00 34.95 30.79 2pwy s ARG 15 CO 0.00 -0.31 -0.08 0.00 -1.13 0.00 0.00 175.30 173.78 2pwy s ALA 16 N -0.48 2.94 -0.03 7.88 0.00 -1.26 -2.09 121.76 128.72 2pwy s ALA 16 Ca 0.55 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2pwy s ALA 16 Cb -0.40 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.62 2pwy s ALA 16 CO 0.47 0.59 0.00 0.71 0.00 0.00 0.00 175.76 177.54 2pwy s TYR 17 N -0.91 0.34 -0.19 0.00 2.02 0.23 -4.97 117.35 113.87 2pwy s TYR 17 Ca 0.15 -0.00 -0.18 0.00 -0.37 0.00 0.00 57.07 56.66 2pwy s TYR 17 Cb -0.11 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 2pwy s TYR 17 CO 0.05 -0.15 0.51 -1.17 -1.57 0.00 0.00 175.55 173.22 2pwy s LEU 18 N 1.17 4.16 -0.07 -1.29 2.96 -1.26 -0.49 118.68 123.86 2pwy s LEU 18 Ca -0.08 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 2pwy s LEU 18 Cb -0.13 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.86 2pwy s LEU 18 CO -0.02 -0.16 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.00 2pwy s VAL 19 N 1.50 1.48 -0.56 1.68 1.01 0.18 -4.99 120.40 120.70 2pwy s VAL 19 Ca 0.24 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 2pwy s VAL 19 Cb -0.15 -1.31 0.14 0.00 0.00 0.00 0.00 36.38 35.06 2pwy s VAL 19 CO 0.10 0.43 0.46 -0.36 0.00 0.00 0.00 175.10 175.73 2pwy s PHE 20 N 0.45 3.44 0.47 5.22 0.08 -1.26 -0.17 117.98 126.21 2pwy s PHE 20 Ca -0.14 -1.87 -0.24 0.00 0.12 0.00 0.00 56.93 54.81 2pwy s PHE 20 Cb -0.16 -3.58 -0.07 0.00 -0.57 0.00 0.00 43.02 38.64 2pwy s PHE 20 CO 0.05 -0.98 1.31 -2.14 -0.10 0.00 0.00 175.22 173.36 2pwy s PRO 21 N 1.06 3.60 -0.05 0.24 0.02 -1.26 -5.03 135.00 133.57 2pwy s PRO 21 Ca 0.08 2.14 -0.10 0.00 0.02 0.00 0.00 61.00 63.14 2pwy s PRO 21 Cb -0.24 -2.50 0.02 0.00 0.02 0.00 0.00 34.50 31.80 2pwy s PRO 21 CO -0.02 -0.79 0.24 -1.59 -0.33 0.00 0.00 177.00 174.52 2pwy s LYS 22 N -2.59 0.44 0.23 5.54 -2.85 -1.26 -5.07 119.74 114.17 2pwy s LYS 22 Ca 0.64 0.05 -0.31 0.00 -1.00 0.00 0.00 55.97 55.35 2pwy s LYS 22 Cb -0.38 0.20 -0.11 0.00 -2.06 0.00 0.00 37.83 35.48 2pwy s LYS 22 CO 0.47 -0.09 1.55 -2.00 0.10 0.00 0.00 175.35 175.38 2pwy s GLU 23 N -0.58 4.20 0.00 1.78 2.12 -1.26 -0.77 118.70 124.18 2pwy s GLU 23 Ca -0.07 2.43 0.00 0.00 0.36 0.00 0.00 54.97 57.69 2pwy s GLU 23 Cb -0.04 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.25 2pwy s GLU 23 CO 0.02 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.57 2pwy n GLY 24 N 2.90 1.67 3.79 -1.50 0.00 -1.26 -5.03 105.19 105.75 2pwy n GLY 24 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2pwy n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pwy s GLY 25 N -1.89 2.45 -0.04 -0.02 0.00 0.05 -4.94 107.32 102.92 2pwy s GLY 25 Ca 0.00 0.63 0.01 0.00 0.00 0.00 0.00 44.72 45.36 2pwy s GLY 25 CO 0.00 0.97 -0.04 0.14 0.00 0.00 0.00 173.10 174.17 2pwy s VAL 26 N -2.03 0.46 -0.21 1.40 1.01 -1.26 -0.51 120.40 119.26 2pwy s VAL 26 Ca 0.68 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 2pwy s VAL 26 Cb -0.19 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2pwy s VAL 26 CO 0.27 0.21 0.64 0.12 0.00 0.00 0.00 175.10 176.34 2pwy s PHE 27 N 0.93 3.35 -0.08 5.22 5.36 0.31 -4.92 117.98 128.15 2pwy s PHE 27 Ca -0.11 0.91 -0.12 0.00 -0.96 0.00 0.00 56.93 56.65 2pwy s PHE 27 Cb -0.14 -2.82 -0.05 0.00 -0.34 0.00 0.00 43.02 39.67 2pwy s PHE 27 CO -0.00 -0.22 0.29 -1.01 -1.46 0.00 0.00 175.22 172.81 2pwy s HIS 28 N 2.09 3.62 -0.13 10.12 3.76 -1.26 -0.81 115.29 132.68 2pwy s HIS 28 Ca 0.28 0.74 -0.27 0.00 -0.15 0.00 0.00 55.06 55.66 2pwy s HIS 28 Cb -0.16 -2.18 0.06 0.00 1.11 0.00 0.00 32.58 31.41 2pwy s HIS 28 CO 0.10 0.58 0.64 -1.58 -0.85 0.00 0.00 174.74 173.63 2pwy s HIS 29 N -0.68 -0.65 0.52 1.40 2.46 -1.26 -4.97 115.29 112.12 2pwy s HIS 29 Ca 0.19 1.31 0.20 0.00 0.47 0.00 0.00 55.06 57.23 2pwy s HIS 29 Cb -0.14 0.32 1.38 0.00 -0.13 0.00 0.00 32.58 34.01 2pwy s HIS 29 CO 0.08 -0.49 2.15 1.12 -2.47 0.00 0.00 174.74 175.13 2pwy h HIS 30 N 3.89 0.00 -0.63 3.88 2.07 -2.03 -1.12 115.15 121.21 2pwy h HIS 30 Ca -0.28 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.10 2pwy h HIS 30 Cb 1.15 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.05 2pwy h HIS 30 CO 0.40 0.03 0.17 1.63 -3.07 0.00 0.00 177.93 177.09 2pwy n LYS 31 N -4.28 3.81 0.00 5.12 5.02 -1.26 -4.97 118.16 121.60 2pwy n LYS 31 Ca -0.03 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 2pwy n LYS 31 Cb 0.12 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 2pwy n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pwy n GLY 32 N -0.08 3.84 3.81 0.72 0.00 -0.42 -1.19 105.19 111.87 2pwy n GLY 32 Ca 0.36 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 2pwy n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pwy s SER 33 N 0.00 6.67 -0.06 1.61 0.01 -1.25 -4.12 113.70 116.55 2pwy s SER 33 Ca 0.00 1.81 0.01 0.00 1.31 0.00 0.00 55.95 59.07 2pwy s SER 33 Cb 0.00 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.70 2pwy s SER 33 CO 0.00 -0.55 -0.05 -0.69 0.41 0.00 0.00 173.24 172.35 2pwy s VAL 34 N -2.07 0.67 0.45 3.43 1.01 0.01 -4.97 120.40 118.93 2pwy s VAL 34 Ca 0.64 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.21 2pwy s VAL 34 Cb -0.13 -0.70 -0.08 0.00 0.00 0.00 0.00 36.38 35.48 2pwy s VAL 34 CO 0.16 0.27 1.38 -2.84 0.00 0.00 0.00 175.10 174.07 2pwy s PRO 35 N 1.14 3.67 0.43 2.72 0.02 -1.26 -0.53 135.00 141.18 2pwy s PRO 35 Ca -0.07 2.31 0.15 0.00 0.02 0.00 0.00 61.00 63.41 2pwy s PRO 35 Cb -0.14 -2.61 1.04 0.00 0.02 0.00 0.00 34.50 32.81 2pwy s PRO 35 CO -0.01 -0.79 1.92 0.45 -0.33 0.00 0.00 177.00 178.24 2pwy h HIS 36 N 2.27 0.49 -0.94 6.54 3.86 -1.07 -0.86 115.15 125.44 2pwy h HIS 36 Ca -0.51 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 58.81 2pwy h HIS 36 Cb 1.27 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 29.51 2pwy h HIS 36 CO 0.50 0.19 0.61 0.93 0.86 0.00 0.00 177.93 181.02 2pwy h GLU 37 N 0.42 0.96 -0.44 2.45 3.07 -1.85 -1.31 114.58 117.88 2pwy h GLU 37 Ca 0.36 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 59.10 2pwy h GLU 37 Cb 0.82 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2pwy h GLU 37 CO -0.12 0.63 0.01 0.00 -1.40 0.00 0.00 179.01 178.14 2pwy h ALA 38 N 1.53 1.20 -0.19 3.43 0.00 -1.51 0.00 119.26 123.72 2pwy h ALA 38 Ca 0.43 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2pwy h ALA 38 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2pwy h ALA 38 CO -0.19 0.53 0.02 -0.07 0.00 0.00 0.00 179.25 179.53 2pwy h LEU 39 N 0.67 0.32 -0.79 0.00 3.38 -1.24 -0.98 115.31 116.66 2pwy h LEU 39 Ca 0.14 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2pwy h LEU 39 Cb 0.39 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2pwy h LEU 39 CO 0.01 0.52 0.15 -0.07 0.09 0.00 0.00 178.44 179.14 2pwy h LEU 40 N 0.10 1.00 -0.60 1.67 3.38 -1.10 -0.11 115.31 119.66 2pwy h LEU 40 Ca 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2pwy h LEU 40 Cb 0.35 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2pwy h LEU 40 CO 0.01 0.97 0.23 -0.33 0.09 0.00 0.00 178.44 179.41 2pwy h GLU 41 N 1.00 0.90 -0.28 1.13 5.08 -0.86 -2.81 114.58 118.74 2pwy h GLU 41 Ca 0.21 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2pwy h GLU 41 Cb 0.37 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2pwy h GLU 41 CO 0.00 0.78 0.06 0.00 -1.00 0.00 0.00 179.01 178.86 2pwy h ALA 42 N 1.08 0.37 -1.64 3.43 0.00 -0.95 -3.50 119.26 118.06 2pwy h ALA 42 Ca 0.20 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.11 2pwy h ALA 42 Cb 0.22 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2pwy h ALA 42 CO -0.01 0.04 -0.46 0.41 0.00 0.00 0.00 179.25 179.23 2pwy n GLY 43 N -0.53 -2.36 3.66 0.00 0.00 -0.07 -4.01 105.19 101.88 2pwy n GLY 43 Ca -0.03 -1.30 -0.48 0.00 0.00 0.00 0.00 46.02 44.21 2pwy n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2pwy n PRO 44 N -3.36 1.93 0.00 1.61 -0.02 -1.26 -0.80 135.00 133.10 2pwy n PRO 44 Ca -0.02 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2pwy n PRO 44 Cb 0.33 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2pwy n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pwy n GLY 45 N 3.43 1.09 3.35 -1.23 0.00 0.62 -4.95 105.19 107.51 2pwy n GLY 45 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 2pwy n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwy n GLY 46 N -2.00 1.14 3.04 -0.02 0.00 0.02 -4.89 105.19 102.47 2pwy n GLY 46 Ca 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 2pwy n GLY 46 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pwy s VAL 47 N -2.43 0.17 -0.19 1.61 -7.23 -1.26 -0.90 120.40 110.17 2pwy s VAL 47 Ca 0.55 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2pwy s VAL 47 Cb -0.04 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 35.99 2pwy s VAL 47 CO 0.36 -0.77 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.55 2pwy s VAL 48 N -2.80 1.79 -0.00 1.32 1.01 -0.25 -4.83 120.40 116.65 2pwy s VAL 48 Ca -0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 2pwy s VAL 48 Cb -0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2pwy s VAL 48 CO -0.06 0.33 0.97 -0.13 0.00 0.00 0.00 175.10 176.20 2pwy s ARG 49 N 1.36 4.56 0.00 2.72 0.52 -1.26 -1.16 118.95 125.69 2pwy s ARG 49 Ca 0.01 1.39 0.00 0.00 -0.52 0.00 0.00 55.73 56.62 2pwy s ARG 49 Cb -0.15 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.86 2pwy s ARG 49 CO -0.10 -0.04 0.00 0.25 0.02 0.00 0.00 175.30 175.43 2pwy n THR 50 N 3.88 0.00 -3.30 0.02 -2.24 -0.56 -4.99 114.28 107.09 2pwy n THR 50 Ca 0.06 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.56 2pwy n THR 50 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 2pwy n THR 50 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2pwy s HIS 51 N 4.14 3.48 -1.45 4.78 0.09 -0.34 -4.53 115.29 121.47 2pwy s HIS 51 Ca 0.00 0.62 -0.06 0.00 -0.00 0.00 0.00 55.06 55.62 2pwy s HIS 51 Cb 0.00 -2.10 0.04 0.00 -0.00 0.00 0.00 32.58 30.53 2pwy s HIS 51 CO 0.00 0.14 0.68 1.28 -0.00 0.00 0.00 174.74 176.84 2pwy n LEU 52 N -1.10 -2.48 0.00 0.89 4.77 -1.26 -1.15 117.00 116.67 2pwy n LEU 52 Ca -0.02 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 2pwy n LEU 52 Cb 0.54 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.23 2pwy n LEU 52 CO 0.48 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2pwy n GLY 53 N -1.72 1.05 3.77 -0.72 0.00 -1.26 -5.01 105.19 101.29 2pwy n GLY 53 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 2pwy n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pwy s GLU 54 N -0.14 3.50 -0.16 1.61 2.56 -0.30 -4.96 118.70 120.80 2pwy s GLU 54 Ca 0.00 1.80 -0.07 0.00 0.00 0.00 0.00 54.97 56.69 2pwy s GLU 54 Cb 0.00 -2.24 0.07 0.00 2.00 0.00 0.00 34.13 33.96 2pwy s GLU 54 CO 0.00 -0.77 0.37 -2.00 -0.56 0.00 0.00 175.26 172.30 2pwy s GLU 55 N -2.93 0.32 -0.31 4.30 2.12 -1.26 -1.50 118.70 119.43 2pwy s GLU 55 Ca 0.68 0.82 -0.14 0.00 0.36 0.00 0.00 54.97 56.69 2pwy s GLU 55 Cb -0.29 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.13 2pwy s GLU 55 CO 0.34 -0.20 0.31 -0.51 -0.54 0.00 0.00 175.26 174.66 2pwy s LEU 56 N 1.84 4.29 0.09 2.70 1.43 -0.31 -3.52 118.68 125.20 2pwy s LEU 56 Ca -0.06 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 52.70 2pwy s LEU 56 Cb -0.10 -2.28 -0.07 0.00 0.03 0.00 0.00 46.19 43.78 2pwy s LEU 56 CO -0.12 -0.23 0.67 -0.94 0.23 0.00 0.00 176.35 175.96 2pwy s SER 57 N 1.72 7.18 -0.14 2.29 1.04 0.65 -1.09 113.70 125.35 2pwy s SER 57 Ca 0.10 1.40 -0.05 0.00 0.48 0.00 0.00 55.95 57.89 2pwy s SER 57 Cb -0.16 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2pwy s SER 57 CO 0.11 0.19 0.03 -0.69 0.98 0.00 0.00 173.24 173.86 2pwy s VAL 58 N -0.84 4.49 0.03 5.02 1.01 -0.08 -1.57 120.40 128.46 2pwy s VAL 58 Ca 0.33 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2pwy s VAL 58 Cb -0.21 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 2pwy s VAL 58 CO 0.22 0.53 -0.06 -1.00 0.00 0.00 0.00 175.10 174.78 2pwy s HIS 59 N -0.13 0.51 -0.32 5.22 3.76 0.02 -0.27 115.29 124.07 2pwy s HIS 59 Ca 0.05 -0.41 -0.28 0.00 -0.15 0.00 0.00 55.06 54.27 2pwy s HIS 59 Cb -0.12 -0.32 0.02 0.00 1.11 0.00 0.00 32.58 33.26 2pwy s HIS 59 CO 0.02 -0.09 1.03 0.50 -0.85 0.00 0.00 174.74 175.35 2pwy s ARG 60 N -1.23 4.04 0.23 1.40 3.52 -1.26 -0.64 118.95 125.01 2pwy s ARG 60 Ca -0.09 0.98 -0.30 0.00 -0.13 0.00 0.00 55.73 56.19 2pwy s ARG 60 Cb -0.08 -3.74 -0.09 0.00 -1.56 0.00 0.00 34.95 29.47 2pwy s ARG 60 CO -0.00 -0.88 1.38 -1.25 -0.81 0.00 0.00 175.30 173.74 2pwy s PRO 61 N 3.57 4.32 0.92 5.12 0.04 -1.26 -4.89 135.00 142.82 2pwy s PRO 61 Ca 0.43 2.19 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 2pwy s PRO 61 Cb -0.12 -3.15 0.14 0.00 0.04 0.00 0.00 34.50 31.41 2pwy s PRO 61 CO 0.15 -0.34 1.09 0.95 0.04 0.00 0.00 177.00 178.90 2pwy s THR 62 N 0.01 2.58 0.27 1.26 -4.23 -1.26 -4.78 115.64 109.49 2pwy s THR 62 Ca 0.58 0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 61.24 2pwy s THR 62 Cb -0.39 -2.56 0.26 0.00 1.34 0.00 0.00 72.50 71.15 2pwy s THR 62 CO 0.41 -0.24 1.93 0.25 -0.54 0.00 0.00 174.62 176.43 2pwy h LEU 63 N -1.67 1.05 -0.10 4.79 5.85 -1.99 0.96 115.31 124.20 2pwy h LEU 63 Ca -0.49 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.24 2pwy h LEU 63 Cb 1.28 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 2pwy h LEU 63 CO 0.52 0.74 -0.15 -0.08 -0.34 0.00 0.00 178.44 179.13 2pwy h GLU 64 N 1.23 -0.19 -0.80 1.25 4.81 -1.98 -0.71 114.58 118.18 2pwy h GLU 64 Ca 0.36 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2pwy h GLU 64 Cb -0.07 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2pwy h GLU 64 CO -0.09 -0.13 0.46 0.93 -0.73 0.00 0.00 179.01 179.45 2pwy h GLU 65 N -0.20 1.09 0.19 1.92 5.08 -1.69 -2.49 114.58 118.49 2pwy h GLU 65 Ca 0.08 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2pwy h GLU 65 Cb 0.32 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2pwy h GLU 65 CO -0.22 0.79 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.57 2pwy h TYR 66 N 1.10 -0.24 -0.95 4.33 3.20 -0.61 -2.36 116.97 121.44 2pwy h TYR 66 Ca 0.28 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.27 2pwy h TYR 66 Cb -0.01 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.26 2pwy h TYR 66 CO -0.00 -0.12 0.60 -0.07 -1.64 0.00 0.00 178.16 176.94 2pwy h LEU 67 N -0.30 0.82 -0.70 2.82 4.07 -0.97 0.21 115.31 121.27 2pwy h LEU 67 Ca -0.03 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 2pwy h LEU 67 Cb 0.23 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2pwy h LEU 67 CO 0.04 0.43 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.62 2pwy h LEU 68 N 0.87 0.00 0.00 1.67 3.38 -1.20 -3.34 115.31 116.69 2pwy h LEU 68 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 2pwy h LEU 68 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2pwy h LEU 68 CO -0.24 0.14 -0.78 1.41 0.09 0.00 0.00 178.44 179.06 2pwy n HIS 69 N -3.20 0.00 -1.77 1.13 8.25 -0.90 -5.05 115.22 113.68 2pwy n HIS 69 Ca 0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.12 2pwy n HIS 69 Cb 0.48 -0.04 0.06 0.00 1.12 0.00 0.00 29.99 31.60 2pwy n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pwy s MET 70 N -1.88 2.62 0.47 -0.41 0.23 0.70 -4.87 119.30 116.16 2pwy s MET 70 Ca -0.00 1.84 -0.24 0.00 -1.03 0.00 0.00 55.69 56.26 2pwy s MET 70 Cb 0.02 -1.88 -0.08 0.00 -1.53 0.00 0.00 34.83 31.35 2pwy s MET 70 CO 0.12 -1.48 1.23 1.17 -2.03 0.00 0.00 175.02 174.03 2pwy n LYS 71 N -2.03 1.72 -3.90 3.16 4.81 -1.26 -5.02 118.16 115.65 2pwy n LYS 71 Ca 0.14 0.62 -0.09 0.00 -0.87 0.00 0.00 58.31 58.11 2pwy n LYS 71 Cb 0.50 -2.37 -0.08 0.00 0.02 0.00 0.00 35.03 33.09 2pwy n LYS 71 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2pwy s ARG 72 N -2.38 0.72 0.00 1.64 3.03 -1.26 -4.98 118.95 115.72 2pwy s ARG 72 Ca 0.65 -0.86 0.00 0.00 2.03 0.00 0.00 55.73 57.55 2pwy s ARG 72 Cb -0.48 0.29 0.00 0.00 -1.03 0.00 0.00 34.95 33.73 2pwy s ARG 72 CO 0.55 -0.21 0.00 -1.13 -1.13 0.00 0.00 175.30 173.38 2pwy n SER 73 N 0.33 0.00 -4.74 -2.89 3.41 -1.26 -4.98 113.62 103.49 2pwy n SER 73 Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.03 2pwy n SER 73 Cb 0.60 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 2pwy n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwy s ALA 74 N -3.34 3.68 0.12 7.33 0.00 -1.26 -4.96 121.76 123.33 2pwy s ALA 74 Ca 0.00 1.35 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 2pwy s ALA 74 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2pwy s ALA 74 CO 0.00 -0.76 1.68 0.99 0.00 0.00 0.00 175.76 177.67 2pwy s THR 75 N 0.37 2.74 0.68 0.00 2.01 -1.26 -4.23 115.64 115.95 2pwy s THR 75 Ca 0.63 0.34 -0.13 0.00 0.31 0.00 0.00 61.69 62.84 2pwy s THR 75 Cb -0.43 -3.22 0.01 0.00 0.01 0.00 0.00 72.50 68.87 2pwy s THR 75 CO 0.39 0.01 1.08 -2.16 -0.69 0.00 0.00 174.62 173.25 2pwy s PRO 76 N 2.19 2.85 0.23 4.92 0.04 -1.26 -4.85 135.00 139.12 2pwy s PRO 76 Ca 0.75 1.15 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 2pwy s PRO 76 Cb -0.43 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.00 2pwy s PRO 76 CO 0.33 -1.18 1.30 2.41 0.04 0.00 0.00 177.00 179.90 2pwy n THR 77 N -2.81 1.07 -2.18 1.26 -1.04 -1.26 -4.94 114.28 104.37 2pwy n THR 77 Ca 0.09 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.05 61.45 2pwy n THR 77 Cb 0.53 -1.26 -0.00 0.00 -1.82 0.00 0.00 70.33 67.77 2pwy n THR 77 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2pwy s TYR 78 N -0.23 2.82 0.28 -1.42 2.02 -1.26 -4.72 117.35 114.84 2pwy s TYR 78 Ca 0.68 1.51 0.02 0.00 -0.37 0.00 0.00 57.07 58.91 2pwy s TYR 78 Cb -0.71 -3.46 0.65 0.00 -0.40 0.00 0.00 41.96 38.04 2pwy s TYR 78 CO 0.52 -1.71 1.73 -1.35 -1.57 0.00 0.00 175.55 173.16 2pwy h PRO 79 N 2.13 0.51 -0.54 -1.71 0.11 -1.92 -0.45 132.00 130.12 2pwy h PRO 79 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2pwy h PRO 79 Cb 1.25 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2pwy h PRO 79 CO 0.60 0.34 0.33 1.57 -0.21 0.00 0.00 178.00 180.63 2pwy h LYS 80 N 0.52 0.73 0.22 1.05 2.10 -1.99 -1.15 116.57 118.05 2pwy h LYS 80 Ca 0.52 -0.06 -0.31 0.00 -2.00 0.00 0.00 60.65 58.81 2pwy h LYS 80 Cb 0.88 -0.16 0.04 0.00 -0.90 0.00 0.00 32.23 32.09 2pwy h LYS 80 CO -0.45 0.51 -1.34 -0.44 -2.00 0.00 0.00 179.45 175.73 2pwy h ASP 81 N 0.75 0.80 -0.54 7.07 3.32 -1.60 -2.69 116.42 123.53 2pwy h ASP 81 Ca 0.20 -0.91 -0.05 0.00 0.02 0.00 0.00 57.03 56.29 2pwy h ASP 81 Cb -0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2pwy h ASP 81 CO -0.04 1.65 0.15 0.00 -1.72 0.00 0.00 179.24 179.28 2pwy h ALA 82 N 0.16 0.70 -0.26 3.45 0.00 -0.92 0.11 119.26 122.52 2pwy h ALA 82 Ca -0.23 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.53 2pwy h ALA 82 Cb 2.05 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 2pwy h ALA 82 CO 0.25 0.38 -0.08 1.03 0.00 0.00 0.00 179.25 180.84 2pwy h SER 83 N 0.75 -0.27 -0.73 0.00 0.87 -1.31 -2.00 113.55 110.86 2pwy h SER 83 Ca 0.17 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 2pwy h SER 83 Cb 0.31 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 2pwy h SER 83 CO -0.00 -0.10 0.19 0.00 -0.53 0.00 0.00 176.83 176.39 2pwy h ALA 84 N 1.23 0.96 -0.94 6.23 0.00 -1.15 -3.01 119.26 122.57 2pwy h ALA 84 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2pwy h ALA 84 Cb 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2pwy h ALA 84 CO -0.27 0.67 0.56 0.52 0.00 0.00 0.00 179.25 180.73 2pwy h MET 85 N 1.10 1.27 -0.86 0.00 2.86 -0.40 0.13 114.93 119.02 2pwy h MET 85 Ca 0.23 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2pwy h MET 85 Cb 0.36 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 2pwy h MET 85 CO 0.00 0.89 0.44 0.28 1.06 0.00 0.00 176.91 179.58 2pwy h VAL 86 N 1.29 1.26 -0.21 -2.22 2.07 -1.25 0.60 116.25 117.78 2pwy h VAL 86 Ca 0.34 -0.69 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 2pwy h VAL 86 Cb -0.05 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2pwy h VAL 86 CO -0.06 0.30 -0.34 0.74 0.02 0.00 0.00 177.57 178.23 2pwy h THR 87 N 1.22 1.32 -0.23 2.57 2.02 -1.28 -2.14 112.91 116.39 2pwy h THR 87 Ca 0.30 -1.55 -0.06 0.00 0.77 0.00 0.00 66.41 65.87 2pwy h THR 87 Cb 0.08 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2pwy h THR 87 CO -0.04 0.48 -0.10 -0.07 0.37 0.00 0.00 175.52 176.16 2pwy h LEU 88 N 0.30 0.35 0.00 2.58 3.38 -0.54 -0.98 115.31 120.41 2pwy h LEU 88 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2pwy h LEU 88 Cb 0.93 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2pwy h LEU 88 CO 0.08 0.50 0.00 0.18 0.09 0.00 0.00 178.44 179.29 2pwy n LEU 89 N -4.25 0.00 -3.75 1.67 4.77 0.18 -4.90 117.00 110.71 2pwy n LEU 89 Ca 0.00 0.49 -0.23 0.00 -0.03 0.00 0.00 56.01 56.25 2pwy n LEU 89 Cb 0.28 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 2pwy n LEU 89 CO 0.39 -0.09 -0.08 -0.67 -1.33 0.00 0.00 177.39 175.61 2pwy n ASP 90 N -1.49 -1.30 -4.73 -1.43 2.03 -0.37 -4.77 116.55 104.49 2pwy n ASP 90 Ca 0.06 -0.84 -0.40 0.00 0.52 0.00 0.00 54.79 54.12 2pwy n ASP 90 Cb 0.27 -3.89 -0.04 0.00 -0.72 0.00 0.00 41.12 36.73 2pwy n ASP 90 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pwy s LEU 91 N -6.76 4.39 0.22 -2.67 1.43 -1.02 -5.06 118.68 109.21 2pwy s LEU 91 Ca 0.05 1.43 0.06 0.00 -1.03 0.00 0.00 54.13 54.63 2pwy s LEU 91 Cb -0.03 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.87 2pwy s LEU 91 CO 0.82 -0.08 -0.07 0.00 0.23 0.00 0.00 176.35 177.25 2pwy s ALA 92 N 0.42 1.90 0.29 4.21 0.00 -1.26 -4.89 121.76 122.44 2pwy s ALA 92 Ca 0.41 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.37 2pwy s ALA 92 Cb -0.20 0.17 -0.13 0.00 0.00 0.00 0.00 23.12 22.96 2pwy s ALA 92 CO 0.23 -0.09 1.28 -2.30 0.00 0.00 0.00 175.76 174.87 2pwy n PRO 93 N -0.40 1.93 0.00 0.00 -0.02 -1.18 -2.40 135.00 132.93 2pwy n PRO 93 Ca -0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2pwy n PRO 93 Cb 0.62 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2pwy n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pwy n GLY 94 N 1.38 0.96 3.80 -1.23 0.00 0.43 -4.94 105.19 105.59 2pwy n GLY 94 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2pwy n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pwy s MET 95 N -0.81 2.30 -0.19 1.61 -1.94 -1.01 -4.38 119.30 114.87 2pwy s MET 95 Ca 0.00 0.78 -0.00 0.00 -1.71 0.00 0.00 55.69 54.76 2pwy s MET 95 Cb 0.00 -1.93 0.02 0.00 2.01 0.00 0.00 34.83 34.92 2pwy s MET 95 CO 0.00 -1.50 -0.16 1.03 -0.01 0.00 0.00 175.02 174.38 2pwy s ARG 96 N -5.09 3.05 -0.06 2.03 0.52 -1.26 -1.45 118.95 116.68 2pwy s ARG 96 Ca 0.60 -0.80 0.06 0.00 -0.52 0.00 0.00 55.73 55.06 2pwy s ARG 96 Cb -0.15 -2.68 -0.01 0.00 0.52 0.00 0.00 34.95 32.64 2pwy s ARG 96 CO 0.55 -0.22 -0.24 0.54 0.02 0.00 0.00 175.30 175.94 2pwy s VAL 97 N 1.33 2.00 -0.08 3.52 0.11 0.20 0.29 120.40 127.77 2pwy s VAL 97 Ca 0.05 -1.03 -0.14 0.00 -2.93 0.00 0.00 61.98 57.92 2pwy s VAL 97 Cb -0.14 -1.70 -0.05 0.00 -1.53 0.00 0.00 36.38 32.97 2pwy s VAL 97 CO -0.11 0.56 0.36 -0.22 -3.33 0.00 0.00 175.10 172.36 2pwy s LEU 98 N -0.09 4.36 -0.02 2.54 2.96 -0.70 -0.72 118.68 127.01 2pwy s LEU 98 Ca -0.05 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 2pwy s LEU 98 Cb -0.14 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 2pwy s LEU 98 CO 0.04 0.21 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.49 2pwy s GLU 99 N -0.30 0.86 -0.11 1.98 2.12 -0.14 -0.11 118.70 122.99 2pwy s GLU 99 Ca 0.21 -0.30 -0.18 0.00 0.36 0.00 0.00 54.97 55.06 2pwy s GLU 99 Cb -0.15 -0.82 0.04 0.00 0.26 0.00 0.00 34.13 33.47 2pwy s GLU 99 CO 0.09 0.14 0.46 0.00 -0.54 0.00 0.00 175.26 175.41 2pwy s ALA 100 N 0.05 -1.16 0.17 6.30 0.00 -0.92 -0.46 121.76 125.74 2pwy s ALA 100 Ca -0.01 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 2pwy s ALA 100 Cb -0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.56 2pwy s ALA 100 CO 0.00 -0.26 0.44 0.20 0.00 0.00 0.00 175.76 176.14 2pwy s GLY 101 N -0.40 2.25 0.29 0.00 0.00 -0.67 -0.48 107.32 108.31 2pwy s GLY 101 Ca -0.05 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.25 2pwy s GLY 101 CO 0.03 -0.35 1.74 -0.84 0.00 0.00 0.00 173.10 173.68 2pwy h THR 102 N 2.03 0.63 0.00 0.90 2.02 -1.44 -3.45 112.91 113.61 2pwy h THR 102 Ca -0.46 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2pwy h THR 102 Cb 1.17 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2pwy h THR 102 CO 0.71 0.11 0.00 0.61 0.37 0.00 0.00 175.52 177.32 2pwy n GLY 103 N -1.33 1.72 0.48 2.16 0.00 -1.26 -1.35 105.19 105.61 2pwy n GLY 103 Ca 0.21 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.41 2pwy n GLY 103 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pwy n SER 104 N 10.97 2.48 0.00 1.61 7.64 -1.26 -4.18 113.62 130.88 2pwy n SER 104 Ca 0.00 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.05 2pwy n SER 104 Cb 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2pwy n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pwy n GLY 105 N 0.38 0.62 0.33 0.23 0.00 -0.46 -4.37 105.19 101.92 2pwy n GLY 105 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 2pwy n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pwy h GLY 106 N 0.00 -0.82 1.26 -0.02 0.00 -1.93 -1.82 103.07 99.75 2pwy h GLY 106 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2pwy h GLY 106 CO 0.00 -0.30 0.40 -2.00 0.00 0.00 0.00 176.54 174.65 2pwy h LEU 107 N -1.09 0.87 -0.73 3.11 5.85 -1.87 -2.48 115.31 118.96 2pwy h LEU 107 Ca -0.08 -0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.73 2pwy h LEU 107 Cb 0.65 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 2pwy h LEU 107 CO 0.13 0.69 0.24 0.74 -0.34 0.00 0.00 178.44 179.90 2pwy h THR 108 N 0.99 0.60 -0.63 1.05 2.02 -1.83 0.21 112.91 115.31 2pwy h THR 108 Ca 0.25 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 2pwy h THR 108 Cb 0.00 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 2pwy h THR 108 CO -0.04 0.07 0.25 -0.07 0.37 0.00 0.00 175.52 176.09 2pwy h LEU 109 N 0.36 0.87 -0.33 2.58 3.38 -0.85 0.36 115.31 121.68 2pwy h LEU 109 Ca 0.41 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2pwy h LEU 109 Cb 0.65 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2pwy h LEU 109 CO -0.45 0.81 0.17 -0.26 0.09 0.00 0.00 178.44 178.80 2pwy h PHE 110 N 0.88 0.47 -0.78 1.13 -1.00 -1.17 -1.82 116.94 114.64 2pwy h PHE 110 Ca 0.21 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.97 2pwy h PHE 110 Cb 0.21 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 2pwy h PHE 110 CO 0.01 0.39 0.48 -0.07 -1.61 0.00 0.00 178.31 177.52 2pwy h LEU 111 N 0.41 0.92 -0.60 1.54 3.38 -0.76 -2.33 115.31 117.86 2pwy h LEU 111 Ca 0.12 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2pwy h LEU 111 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2pwy h LEU 111 CO -0.02 0.70 -0.01 0.00 0.09 0.00 0.00 178.44 179.21 2pwy h ALA 112 N 1.26 0.82 -0.58 1.53 0.00 -0.69 -2.01 119.26 119.59 2pwy h ALA 112 Ca 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pwy h ALA 112 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2pwy h ALA 112 CO -0.06 0.67 0.38 0.00 0.00 0.00 0.00 179.25 180.24 2pwy h ARG 113 N 0.97 0.76 -0.69 0.00 3.08 -1.22 -1.82 114.38 115.47 2pwy h ARG 113 Ca 0.17 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 2pwy h ARG 113 Cb 0.57 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2pwy h ARG 113 CO 0.03 0.51 0.18 0.00 -1.07 0.00 0.00 179.97 179.63 2pwy h ALA 114 N 1.21 1.02 0.00 0.04 0.00 -0.97 -3.19 119.26 117.37 2pwy h ALA 114 Ca 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2pwy h ALA 114 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2pwy h ALA 114 CO -0.04 0.65 -1.38 1.33 0.00 0.00 0.00 179.25 179.80 2pwy n VAL 115 N -4.24 0.54 -2.59 0.00 0.24 -0.79 -3.09 118.33 108.39 2pwy n VAL 115 Ca 0.05 -0.56 0.07 0.00 -2.04 0.00 0.00 64.34 61.86 2pwy n VAL 115 Cb 0.25 -0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 32.30 2pwy n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pwy n GLY 116 N 1.25 -1.73 0.29 7.63 0.00 -0.69 -0.43 105.19 111.52 2pwy n GLY 116 Ca -0.03 -1.23 0.16 0.00 0.00 0.00 0.00 46.02 44.92 2pwy n GLY 116 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2pwy h GLU 117 N 0.00 0.00 -0.01 1.61 4.11 -1.92 0.09 114.58 118.46 2pwy h GLU 117 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2pwy h GLU 117 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2pwy h GLU 117 CO 0.00 0.05 -0.45 1.63 0.07 0.00 0.00 179.01 180.31 2pwy n LYS 118 N -3.58 0.85 -0.69 1.06 5.02 -1.26 -4.83 118.16 114.73 2pwy n LYS 118 Ca -0.02 -0.63 -0.01 0.00 -2.02 0.00 0.00 58.31 55.63 2pwy n LYS 118 Cb 0.16 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 2pwy n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pwy n GLY 119 N 1.40 0.72 3.23 0.72 0.00 0.02 -4.59 105.19 106.69 2pwy n GLY 119 Ca 0.10 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 2pwy n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pwy s LEU 120 N 0.00 0.23 -0.31 0.99 2.96 -0.53 -4.81 118.68 117.21 2pwy s LEU 120 Ca 0.03 0.78 -0.07 0.00 -0.22 0.00 0.00 54.13 54.64 2pwy s LEU 120 Cb -0.00 1.21 0.01 0.00 0.50 0.00 0.00 46.19 47.92 2pwy s LEU 120 CO 0.02 -0.17 0.10 -0.69 -1.32 0.00 0.00 176.35 174.29 2pwy s VAL 121 N 0.95 4.03 -0.54 1.68 1.01 -0.27 -0.63 120.40 126.65 2pwy s VAL 121 Ca -0.06 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 2pwy s VAL 121 Cb -0.07 -3.12 0.11 0.00 0.00 0.00 0.00 36.38 33.30 2pwy s VAL 121 CO -0.07 0.02 0.53 -0.70 0.00 0.00 0.00 175.10 174.88 2pwy s GLU 122 N 1.50 3.01 -0.11 2.72 2.56 0.10 -0.78 118.70 127.69 2pwy s GLU 122 Ca 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 54.97 53.48 2pwy s GLU 122 Cb -0.18 -4.25 -0.02 0.00 2.00 0.00 0.00 34.13 31.68 2pwy s GLU 122 CO 0.03 -1.32 -0.12 0.45 -0.56 0.00 0.00 175.26 173.75 2pwy s SER 123 N 3.38 4.16 -0.06 -1.70 0.15 -0.28 -0.97 113.70 118.38 2pwy s SER 123 Ca 0.06 -0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.50 2pwy s SER 123 Cb -0.27 -1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 2pwy s SER 123 CO 0.05 0.22 -0.18 -0.31 1.20 0.00 0.00 173.24 174.22 2pwy s TYR 124 N 0.01 2.60 -0.07 3.44 2.02 0.39 -0.44 117.35 125.30 2pwy s TYR 124 Ca -0.03 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.26 2pwy s TYR 124 Cb -0.14 -1.63 0.04 0.00 -0.40 0.00 0.00 41.96 39.83 2pwy s TYR 124 CO 0.04 0.02 0.14 -2.00 -1.57 0.00 0.00 175.55 172.17 2pwy s GLU 125 N -0.46 0.04 0.24 -0.62 2.56 -0.17 -1.24 118.70 119.05 2pwy s GLU 125 Ca 0.05 0.43 0.11 0.00 0.00 0.00 0.00 54.97 55.57 2pwy s GLU 125 Cb -0.12 -0.25 0.20 0.00 2.00 0.00 0.00 34.13 35.97 2pwy s GLU 125 CO 0.01 -0.23 1.51 0.00 -0.56 0.00 0.00 175.26 175.99 2pwy h ALA 126 N 7.78 0.76 -2.85 6.30 0.00 -1.82 -0.19 119.26 129.24 2pwy h ALA 126 Ca -0.29 -0.63 -0.66 0.00 0.00 0.00 0.00 54.91 53.32 2pwy h ALA 126 Cb 1.13 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.61 2pwy h ALA 126 CO 0.30 0.87 -0.53 1.03 0.00 0.00 0.00 179.25 180.91 2pwy s ARG 127 N -3.28 3.62 0.26 0.00 0.52 -1.26 -4.53 118.95 114.27 2pwy s ARG 127 Ca -0.00 -0.53 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 2pwy s ARG 127 Cb 0.11 -3.62 0.31 0.00 0.52 0.00 0.00 34.95 32.27 2pwy s ARG 127 CO 0.77 -0.31 1.91 -1.35 0.02 0.00 0.00 175.30 176.34 2pwy h PRO 128 N 8.38 1.26 -0.42 3.54 0.11 -1.99 -0.65 132.00 142.22 2pwy h PRO 128 Ca -0.34 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 2pwy h PRO 128 Cb 1.17 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2pwy h PRO 128 CO 0.59 0.83 -0.28 1.25 -0.21 0.00 0.00 178.00 180.18 2pwy h HIS 129 N 1.29 1.06 -0.13 0.65 -0.00 -1.99 -0.45 115.15 115.59 2pwy h HIS 129 Ca 0.39 -0.28 0.01 0.00 -0.00 0.00 0.00 60.37 60.50 2pwy h HIS 129 Cb -0.04 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 2pwy h HIS 129 CO -0.00 1.08 0.03 0.45 -0.00 0.00 0.00 177.93 179.49 2pwy h HIS 130 N 0.77 0.06 -0.59 5.26 3.86 -1.73 -2.35 115.15 120.44 2pwy h HIS 130 Ca 0.09 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2pwy h HIS 130 Cb 0.85 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.28 2pwy h HIS 130 CO 0.05 0.03 0.35 1.25 0.86 0.00 0.00 177.93 180.47 2pwy h LEU 131 N 0.09 0.71 -0.52 2.43 5.85 -0.88 -0.41 115.31 122.57 2pwy h LEU 131 Ca 0.05 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2pwy h LEU 131 Cb 0.04 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 2pwy h LEU 131 CO -0.06 0.57 0.26 0.00 -0.34 0.00 0.00 178.44 178.86 2pwy h ALA 132 N 1.17 0.67 -0.50 1.25 0.00 -0.96 0.34 119.26 121.23 2pwy h ALA 132 Ca 0.21 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2pwy h ALA 132 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2pwy h ALA 132 CO -0.04 -0.09 0.03 0.37 0.00 0.00 0.00 179.25 179.52 2pwy h GLN 133 N 0.50 0.87 -0.36 0.00 5.75 -1.11 -1.92 115.11 118.85 2pwy h GLN 133 Ca 0.23 -0.26 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2pwy h GLN 133 Cb 0.16 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2pwy h GLN 133 CO -0.17 0.89 0.23 0.00 -2.65 0.00 0.00 178.83 177.13 2pwy h ALA 134 N 0.95 0.45 -0.53 3.38 0.00 -0.65 0.56 119.26 123.42 2pwy h ALA 134 Ca 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2pwy h ALA 134 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2pwy h ALA 134 CO 0.02 -0.10 0.34 0.93 0.00 0.00 0.00 179.25 180.45 2pwy h GLU 135 N 0.47 0.67 -0.49 0.00 5.08 -0.81 -0.42 114.58 119.08 2pwy h GLU 135 Ca 0.13 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2pwy h GLU 135 Cb -0.05 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 2pwy h GLU 135 CO -0.03 0.45 0.30 0.00 -1.00 0.00 0.00 179.01 178.72 2pwy h ARG 136 N 0.70 0.58 -0.53 2.33 3.08 -0.87 -0.72 114.38 118.95 2pwy h ARG 136 Ca 0.20 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 2pwy h ARG 136 Cb -0.05 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 2pwy h ARG 136 CO -0.06 0.38 0.31 -0.91 -1.07 0.00 0.00 179.97 178.63 2pwy h ASN 137 N 0.60 0.64 -0.10 7.04 2.35 -0.36 -1.07 115.58 124.68 2pwy h ASN 137 Ca 0.19 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2pwy h ASN 137 Cb 0.00 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 2pwy h ASN 137 CO -0.08 0.52 0.00 0.58 -1.65 0.00 0.00 177.43 176.80 2pwy h VAL 138 N 0.71 1.25 0.00 2.81 2.07 -0.91 -3.20 116.25 118.98 2pwy h VAL 138 Ca 0.19 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2pwy h VAL 138 Cb 0.00 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2pwy h VAL 138 CO -0.03 0.22 -0.37 0.03 0.02 0.00 0.00 177.57 177.44 2pwy h ARG 139 N -0.09 0.00 0.00 1.57 3.08 -0.94 0.14 114.38 118.14 2pwy h ARG 139 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2pwy h ARG 139 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2pwy h ARG 139 CO 0.00 0.37 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 2pwy h ALA 140 N 1.63 1.00 0.00 0.04 0.00 -1.19 -3.29 119.26 117.45 2pwy h ALA 140 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2pwy h ALA 140 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pwy h ALA 140 CO 0.05 0.00 -1.14 0.34 0.00 0.00 0.00 179.25 178.49 2pwy n PHE 141 N -2.86 0.00 -3.67 0.00 7.35 -0.88 -4.38 117.46 113.02 2pwy n PHE 141 Ca 0.01 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.52 2pwy n PHE 141 Cb 0.29 -0.09 -0.17 0.00 0.35 0.00 0.00 39.48 39.87 2pwy n PHE 141 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 2pwy s TRP 142 N -2.14 -0.07 -1.80 -5.13 -0.11 -0.01 -5.02 118.94 104.67 2pwy s TRP 142 Ca -0.01 0.44 0.21 0.00 1.22 0.00 0.00 56.10 57.96 2pwy s TRP 142 Cb 0.01 -0.37 -0.04 0.00 -1.50 0.00 0.00 33.47 31.58 2pwy s TRP 142 CO 0.11 -0.24 1.02 0.00 -4.62 0.00 0.00 176.95 173.21 2pwy n GLN 143 N 5.31 1.17 -2.50 5.86 -0.00 -1.26 -4.26 117.38 121.70 2pwy n GLN 143 Ca -0.04 -0.83 -0.42 0.00 -0.00 0.00 0.00 57.00 55.71 2pwy n GLN 143 Cb 0.50 -1.44 -0.03 0.00 -0.00 0.00 0.00 30.24 29.27 2pwy n GLN 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2pwy s VAL 144 N -2.45 4.28 -1.40 -0.39 1.01 -1.26 -4.93 120.40 115.26 2pwy s VAL 144 Ca 0.16 1.63 -0.07 0.00 0.00 0.00 0.00 61.98 63.70 2pwy s VAL 144 Cb 0.17 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.57 2pwy s VAL 144 CO 0.58 0.09 2.51 -0.62 0.00 0.00 0.00 175.10 177.67 2pwy n GLU 145 N 4.25 4.33 -0.16 2.72 1.02 -1.26 -4.41 120.64 127.13 2pwy n GLU 145 Ca 0.09 -3.14 0.06 0.00 -0.02 0.00 0.00 57.16 54.15 2pwy n GLU 145 Cb 0.47 -2.69 0.13 0.00 -0.02 0.00 0.00 31.44 29.34 2pwy n GLU 145 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2pwy n ASN 146 N 2.30 2.72 -4.27 1.62 6.94 -1.26 -4.94 115.26 118.37 2pwy n ASN 146 Ca 0.66 -2.58 -0.33 0.00 -0.02 0.00 0.00 54.58 52.30 2pwy n ASN 146 Cb 0.25 -0.31 -0.15 0.00 -2.36 0.00 0.00 39.78 37.21 2pwy n ASN 146 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2pwy s VAL 147 N -2.02 2.76 -0.35 3.53 1.01 -1.26 -1.11 120.40 122.96 2pwy s VAL 147 Ca 0.24 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 2pwy s VAL 147 Cb 0.19 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.41 2pwy s VAL 147 CO 0.06 0.50 0.17 -0.60 0.00 0.00 0.00 175.10 175.24 2pwy s ARG 148 N 0.91 2.97 0.08 2.72 3.52 0.04 -4.97 118.95 124.22 2pwy s ARG 148 Ca -0.03 -0.97 -0.17 0.00 -0.13 0.00 0.00 55.73 54.43 2pwy s ARG 148 Cb -0.15 -3.64 -0.07 0.00 -1.56 0.00 0.00 34.95 29.54 2pwy s ARG 148 CO -0.01 -0.60 0.53 -0.06 -0.81 0.00 0.00 175.30 174.35 2pwy s PHE 149 N 1.55 3.72 -0.06 5.12 0.08 -1.26 -1.13 117.98 126.01 2pwy s PHE 149 Ca 0.02 1.15 0.02 0.00 0.12 0.00 0.00 56.93 58.24 2pwy s PHE 149 Cb -0.18 -2.41 0.02 0.00 -0.57 0.00 0.00 43.02 39.87 2pwy s PHE 149 CO 0.06 0.55 -0.09 -1.01 -0.10 0.00 0.00 175.22 174.62 2pwy s HIS 150 N -1.23 1.19 -0.33 0.36 3.76 0.42 -4.94 115.29 114.52 2pwy s HIS 150 Ca 0.31 -0.41 -0.22 0.00 -0.15 0.00 0.00 55.06 54.59 2pwy s HIS 150 Cb -0.17 -0.91 -0.00 0.00 1.11 0.00 0.00 32.58 32.60 2pwy s HIS 150 CO 0.18 -0.24 0.71 -1.17 -0.85 0.00 0.00 174.74 173.37 2pwy s LEU 151 N 0.73 4.15 0.00 0.89 2.96 -1.26 -1.00 118.68 125.15 2pwy s LEU 151 Ca -0.13 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 2pwy s LEU 151 Cb -0.15 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.61 2pwy s LEU 151 CO 0.02 -0.59 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 2pwy n GLY 152 N 4.43 2.44 3.74 7.98 0.00 -0.08 -4.94 105.19 118.76 2pwy n GLY 152 Ca 0.01 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2pwy n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwy s LYS 153 N -1.95 4.72 0.36 1.61 1.02 -1.26 -2.96 119.74 121.27 2pwy s LYS 153 Ca 0.00 1.55 0.06 0.00 0.02 0.00 0.00 55.97 57.60 2pwy s LYS 153 Cb 0.00 -3.31 0.73 0.00 -0.52 0.00 0.00 37.83 34.73 2pwy s LYS 153 CO 0.00 0.28 1.95 1.25 -0.92 0.00 0.00 175.35 177.90 2pwy h LEU 154 N 4.91 0.68 -1.85 3.17 5.85 -1.96 -1.80 115.31 124.31 2pwy h LEU 154 Ca -0.44 0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.46 2pwy h LEU 154 Cb 1.21 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2pwy h LEU 154 CO 0.70 0.43 0.60 -0.33 -0.34 0.00 0.00 178.44 179.50 2pwy h GLU 155 N 0.77 0.00 -0.24 1.25 3.07 -1.92 -1.36 114.58 116.15 2pwy h GLU 155 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 2pwy h GLU 155 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2pwy h GLU 155 CO -0.11 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.89 2pwy n GLU 156 N -3.72 1.93 -2.29 2.33 1.02 -0.68 -4.93 120.64 114.31 2pwy n GLU 156 Ca 0.12 -1.78 -0.39 0.00 -0.02 0.00 0.00 57.16 55.09 2pwy n GLU 156 Cb 0.82 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.91 2pwy n GLU 156 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pwy s ALA 157 N -1.07 3.26 -0.42 0.62 0.00 -0.52 -4.99 121.76 118.64 2pwy s ALA 157 Ca 0.23 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.96 2pwy s ALA 157 Cb 0.13 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.88 2pwy s ALA 157 CO 0.19 -0.50 0.83 -1.21 0.00 0.00 0.00 175.76 175.07 2pwy s GLU 158 N -2.07 3.57 0.05 0.00 2.02 -1.26 -5.04 118.70 115.97 2pwy s GLU 158 Ca 0.54 0.14 0.06 0.00 0.02 0.00 0.00 54.97 55.72 2pwy s GLU 158 Cb -0.33 -3.89 -0.02 0.00 0.10 0.00 0.00 34.13 29.99 2pwy s GLU 158 CO 0.42 -1.05 -0.17 -0.51 0.02 0.00 0.00 175.26 173.96 2pwy s LEU 159 N 3.36 2.19 0.03 1.80 1.43 -1.26 -5.12 118.68 121.11 2pwy s LEU 159 Ca 0.33 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 2pwy s LEU 159 Cb -0.12 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 2pwy s LEU 159 CO 0.22 0.08 1.02 -1.61 0.23 0.00 0.00 176.35 176.28 2pwy s GLU 160 N -1.26 4.56 0.29 1.70 2.02 -1.26 -4.97 118.70 119.78 2pwy s GLU 160 Ca 0.04 1.49 -0.30 0.00 0.02 0.00 0.00 54.97 56.23 2pwy s GLU 160 Cb -0.09 -3.42 -0.11 0.00 0.10 0.00 0.00 34.13 30.62 2pwy s GLU 160 CO 0.02 -0.04 1.51 -2.00 0.02 0.00 0.00 175.26 174.77 2pwy s GLU 161 N 0.80 4.18 -1.44 1.61 2.12 -1.26 -3.10 118.70 121.61 2pwy s GLU 161 Ca 0.52 2.46 -0.09 0.00 0.36 0.00 0.00 54.97 58.22 2pwy s GLU 161 Cb -0.23 -3.05 0.05 0.00 0.26 0.00 0.00 34.13 31.16 2pwy s GLU 161 CO 0.29 -0.52 0.72 0.00 -0.54 0.00 0.00 175.26 175.20 2pwy n ALA 162 N 1.96 -1.12 0.80 6.30 0.00 0.02 -4.85 120.51 123.62 2pwy n ALA 162 Ca 0.06 0.20 0.08 0.00 0.00 0.00 0.00 53.44 53.79 2pwy n ALA 162 Cb 0.39 -3.81 -0.10 0.00 0.00 0.00 0.00 19.45 15.93 2pwy n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwy n ALA 163 N -3.98 4.24 -2.57 0.00 0.00 -0.58 -4.52 120.51 113.10 2pwy n ALA 163 Ca -0.02 -0.50 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 2pwy n ALA 163 Cb 0.56 -0.64 -0.11 0.00 0.00 0.00 0.00 19.45 19.26 2pwy n ALA 163 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pwy s TYR 164 N -2.69 2.90 -0.98 0.00 2.02 -0.80 -4.79 117.35 113.01 2pwy s TYR 164 Ca 0.06 -0.01 0.26 0.00 -0.37 0.00 0.00 57.07 57.02 2pwy s TYR 164 Cb 0.13 -1.68 0.70 0.00 -0.40 0.00 0.00 41.96 40.71 2pwy s TYR 164 CO 0.73 0.33 1.56 -0.25 -1.57 0.00 0.00 175.55 176.34 2pwy n ASP 165 N 2.10 0.38 -3.57 2.29 8.00 0.15 -1.18 116.55 124.71 2pwy n ASP 165 Ca -0.17 -0.01 -0.06 0.00 0.71 0.00 0.00 54.79 55.25 2pwy n ASP 165 Cb 0.53 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 2pwy n ASP 165 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2pwy s GLY 166 N -3.05 -0.30 -0.10 0.44 0.00 -1.23 -4.27 107.32 98.81 2pwy s GLY 166 Ca 0.12 1.63 -0.00 0.00 0.00 0.00 0.00 44.72 46.46 2pwy s GLY 166 CO 0.65 0.62 -0.06 0.14 0.00 0.00 0.00 173.10 174.45 2pwy s VAL 167 N -2.25 0.87 -0.22 1.40 1.01 -0.62 -1.72 120.40 118.87 2pwy s VAL 167 Ca 0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 2pwy s VAL 167 Cb -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2pwy s VAL 167 CO -0.05 0.34 0.03 0.00 0.00 0.00 0.00 175.10 175.42 2pwy s ALA 168 N 1.71 3.08 -0.09 5.51 0.00 0.85 -0.92 121.76 131.90 2pwy s ALA 168 Ca 0.04 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2pwy s ALA 168 Cb -0.13 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 2pwy s ALA 168 CO -0.07 -0.29 -0.21 -0.51 0.00 0.00 0.00 175.76 174.67 2pwy s LEU 169 N 1.26 2.26 -0.32 0.00 1.43 -0.04 -2.16 118.68 121.10 2pwy s LEU 169 Ca 0.04 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2pwy s LEU 169 Cb -0.15 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.75 2pwy s LEU 169 CO 0.02 0.20 0.19 -0.62 0.23 0.00 0.00 176.35 176.37 2pwy s ASP 170 N 0.10 3.07 0.05 2.29 -1.08 0.36 -1.13 116.67 120.34 2pwy s ASP 170 Ca -0.10 -1.65 -0.27 0.00 -0.52 0.00 0.00 52.55 50.01 2pwy s ASP 170 Cb -0.16 -0.27 0.09 0.00 -1.46 0.00 0.00 42.92 41.12 2pwy s ASP 170 CO 0.06 -0.37 0.83 -1.48 0.52 0.00 0.00 175.17 174.73 2pwy s LEU 171 N 1.65 -0.39 0.28 -1.34 0.05 -1.26 -1.67 118.68 116.00 2pwy s LEU 171 Ca 0.13 -0.05 0.05 0.00 0.05 0.00 0.00 54.13 54.31 2pwy s LEU 171 Cb -0.19 2.17 0.39 0.00 -2.05 0.00 0.00 46.19 46.51 2pwy s LEU 171 CO -0.19 -0.73 1.67 0.00 -0.55 0.00 0.00 176.35 176.55 2pwy h MET 172 N 2.00 0.29 -2.10 1.48 -0.00 -1.98 -3.36 114.93 111.26 2pwy h MET 172 Ca -0.25 -0.15 -0.57 0.00 -0.00 0.00 0.00 59.70 58.74 2pwy h MET 172 Cb 1.25 0.00 -0.41 0.00 -0.00 0.00 0.00 31.60 32.45 2pwy h MET 172 CO 0.32 0.67 -0.87 0.39 -0.00 0.00 0.00 176.91 177.42 2pwy n GLU 173 N -4.01 1.68 0.28 -0.10 1.02 -1.26 -4.94 120.64 113.31 2pwy n GLU 173 Ca -0.02 -3.96 0.14 0.00 -0.02 0.00 0.00 57.16 53.31 2pwy n GLU 173 Cb 0.50 -1.76 0.82 0.00 -0.02 0.00 0.00 31.44 30.98 2pwy n GLU 173 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2pwy h PRO 174 N 3.89 0.00 -0.63 3.49 0.13 -1.98 -2.01 132.00 134.88 2pwy h PRO 174 Ca 0.13 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.39 2pwy h PRO 174 Cb 0.77 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.86 2pwy h PRO 174 CO 0.65 0.07 0.43 0.11 -0.23 0.00 0.00 178.00 179.03 2pwy h TRP 175 N 0.00 0.35 0.00 1.56 0.09 -1.93 -1.96 115.95 114.06 2pwy h TRP 175 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.99 2pwy h TRP 175 Cb 0.21 -0.11 0.00 0.00 0.08 0.00 0.00 29.16 29.34 2pwy h TRP 175 CO 0.00 0.15 0.00 0.87 0.09 0.00 0.00 178.44 179.55 2pwy h LYS 176 N 0.31 0.00 -0.24 0.12 1.57 -1.80 -3.01 116.57 113.53 2pwy h LYS 176 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2pwy h LYS 176 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2pwy h LYS 176 CO -0.07 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.14 2pwy n VAL 177 N -3.01 0.67 -0.04 0.50 0.24 -0.74 -4.66 118.33 111.29 2pwy n VAL 177 Ca -0.01 -0.84 -0.05 0.00 -2.04 0.00 0.00 64.34 61.41 2pwy n VAL 177 Cb 0.20 0.74 0.16 0.00 -1.47 0.00 0.00 33.84 33.47 2pwy n VAL 177 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2pwy h LEU 178 N 2.07 0.64 0.03 1.34 3.38 -1.48 0.49 115.31 121.77 2pwy h LEU 178 Ca 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2pwy h LEU 178 Cb 0.64 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2pwy h LEU 178 CO 0.00 0.83 -0.01 -0.08 0.09 0.00 0.00 178.44 179.27 2pwy h GLU 179 N 0.57 -0.04 -0.44 1.13 4.81 -1.83 0.92 114.58 119.71 2pwy h GLU 179 Ca 0.09 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2pwy h GLU 179 Cb 0.64 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2pwy h GLU 179 CO 0.05 -0.01 0.14 -0.22 -0.73 0.00 0.00 179.01 178.24 2pwy h LYS 180 N -0.06 0.68 -0.77 1.92 1.63 -1.84 -2.22 116.57 115.92 2pwy h LYS 180 Ca -0.00 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 2pwy h LYS 180 Cb 0.05 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 2pwy h LYS 180 CO 0.01 0.65 0.45 0.00 -3.45 0.00 0.00 179.45 177.11 2pwy h ALA 181 N 0.99 0.98 -0.71 5.00 0.00 -0.81 -0.96 119.26 123.75 2pwy h ALA 181 Ca 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2pwy h ALA 181 Cb 0.26 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2pwy h ALA 181 CO -0.01 0.45 0.31 0.00 0.00 0.00 0.00 179.25 180.01 2pwy h ALA 182 N 1.24 1.21 -0.18 0.00 0.00 -0.69 -1.06 119.26 119.77 2pwy h ALA 182 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pwy h ALA 182 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2pwy h ALA 182 CO -0.05 0.59 0.06 1.25 0.00 0.00 0.00 179.25 181.10 2pwy h LEU 183 N 1.02 0.26 -0.59 0.00 5.85 -1.00 -3.29 115.31 117.56 2pwy h LEU 183 Ca 0.24 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 2pwy h LEU 183 Cb 0.15 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2pwy h LEU 183 CO -0.03 0.38 -0.11 0.00 -0.34 0.00 0.00 178.44 178.35 2pwy h ALA 184 N 0.88 0.79 -2.43 1.25 0.00 -0.89 0.09 119.26 118.96 2pwy h ALA 184 Ca 0.06 -0.35 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 2pwy h ALA 184 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2pwy h ALA 184 CO -0.00 0.67 0.36 -1.17 0.00 0.00 0.00 179.25 179.10 2pwy s LEU 185 N -9.17 4.37 0.35 0.00 2.96 -0.43 -1.53 118.68 115.23 2pwy s LEU 185 Ca -0.11 1.65 -0.28 0.00 -0.22 0.00 0.00 54.13 55.16 2pwy s LEU 185 Cb 0.13 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.15 2pwy s LEU 185 CO 0.86 -0.25 1.42 0.29 -1.32 0.00 0.00 176.35 177.36 2pwy n LYS 186 N 3.85 2.45 -1.56 1.98 5.02 -0.32 -4.46 118.16 125.12 2pwy n LYS 186 Ca 0.06 0.86 -0.48 0.00 -2.02 0.00 0.00 58.31 56.73 2pwy n LYS 186 Cb 0.51 -2.54 -0.03 0.00 -0.02 0.00 0.00 35.03 32.95 2pwy n LYS 186 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2pwy n PRO 187 N 0.74 1.03 -0.94 1.97 -0.02 -1.26 -1.97 135.00 134.55 2pwy n PRO 187 Ca 0.04 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2pwy n PRO 187 Cb 0.37 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2pwy n PRO 187 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2pwy n ASP 188 N 1.74 -0.07 -4.88 2.55 2.03 0.30 -4.96 116.55 113.25 2pwy n ASP 188 Ca 0.14 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.24 2pwy n ASP 188 Cb 0.26 -0.30 0.08 0.00 -0.72 0.00 0.00 41.12 40.45 2pwy n ASP 188 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2pwy s ARG 189 N -0.12 2.03 0.06 -0.67 1.81 -0.83 -4.72 118.95 116.51 2pwy s ARG 189 Ca 0.00 -1.45 0.08 0.00 -1.72 0.00 0.00 55.73 52.64 2pwy s ARG 189 Cb 0.00 -2.52 -0.03 0.00 -0.45 0.00 0.00 34.95 31.95 2pwy s ARG 189 CO 0.00 -1.12 -0.20 -0.06 -0.68 0.00 0.00 175.30 173.25 2pwy s PHE 190 N -2.86 2.51 -0.12 -0.53 0.08 -1.26 -0.77 117.98 115.02 2pwy s PHE 190 Ca 0.64 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 57.38 2pwy s PHE 190 Cb -0.05 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 2pwy s PHE 190 CO 0.41 0.26 -0.02 -1.17 -0.10 0.00 0.00 175.22 174.60 2pwy s LEU 191 N -1.57 3.38 -0.10 -0.37 0.20 -0.17 -1.59 118.68 118.46 2pwy s LEU 191 Ca 0.15 -0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.96 2pwy s LEU 191 Cb -0.10 -1.79 0.02 0.00 -0.43 0.00 0.00 46.19 43.89 2pwy s LEU 191 CO 0.06 0.27 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.61 2pwy s VAL 192 N -0.22 1.03 -0.02 1.68 1.01 -0.09 -0.35 120.40 123.43 2pwy s VAL 192 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.73 2pwy s VAL 192 Cb -0.13 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2pwy s VAL 192 CO 0.02 0.36 -0.10 0.00 0.00 0.00 0.00 175.10 175.38 2pwy s ALA 193 N 1.41 2.87 -0.24 5.51 0.00 0.29 -0.87 121.76 130.74 2pwy s ALA 193 Ca -0.01 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 2pwy s ALA 193 Cb -0.13 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 2pwy s ALA 193 CO -0.05 0.58 0.08 -0.47 0.00 0.00 0.00 175.76 175.90 2pwy s TYR 194 N -0.87 3.11 -0.06 0.00 5.04 -0.28 -0.68 117.35 123.61 2pwy s TYR 194 Ca 0.14 -0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.43 2pwy s TYR 194 Cb -0.11 -2.22 0.04 0.00 0.35 0.00 0.00 41.96 40.02 2pwy s TYR 194 CO 0.04 -0.27 0.11 -0.51 -1.34 0.00 0.00 175.55 173.57 2pwy s LEU 195 N 1.44 0.35 0.26 6.97 1.43 -0.05 -4.33 118.68 124.75 2pwy s LEU 195 Ca 0.06 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2pwy s LEU 195 Cb -0.15 0.12 0.34 0.00 0.03 0.00 0.00 46.19 46.53 2pwy s LEU 195 CO 0.04 -0.21 1.73 -0.65 0.23 0.00 0.00 176.35 177.50 2pwy h PRO 196 N 7.96 0.70 -5.82 1.29 0.11 -1.85 0.43 132.00 134.82 2pwy h PRO 196 Ca -0.25 -0.22 -0.67 0.00 0.11 0.00 0.00 66.00 64.97 2pwy h PRO 196 Cb 1.12 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.02 2pwy h PRO 196 CO 0.26 0.79 -0.60 -0.80 -0.21 0.00 0.00 178.00 177.44 2pwy s ASN 197 N -6.71 5.41 0.50 -2.05 0.01 -1.26 -4.49 114.94 106.34 2pwy s ASN 197 Ca -0.09 0.17 0.19 0.00 -0.71 0.00 0.00 52.86 52.42 2pwy s ASN 197 Cb 0.14 -1.62 1.25 0.00 0.41 0.00 0.00 41.25 41.43 2pwy s ASN 197 CO 0.81 0.35 2.08 -0.29 -1.51 0.00 0.00 177.10 178.54 2pwy h ILE 198 N 4.26 0.94 -0.74 0.60 6.09 -2.00 -1.73 117.51 124.92 2pwy h ILE 198 Ca -0.49 -0.35 -0.06 0.00 -1.37 0.00 0.00 64.86 62.59 2pwy h ILE 198 Cb 1.19 1.20 -0.03 0.00 0.47 0.00 0.00 36.82 39.65 2pwy h ILE 198 CO 0.57 0.10 0.24 0.71 -3.07 0.00 0.00 178.15 176.70 2pwy h THR 199 N 0.00 1.26 -0.54 2.19 1.35 -1.99 -0.62 112.91 114.57 2pwy h THR 199 Ca -0.00 -0.88 -0.07 0.00 -0.55 0.00 0.00 66.41 64.90 2pwy h THR 199 Cb 0.19 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 2pwy h THR 199 CO 0.01 0.35 0.05 1.56 -0.25 0.00 0.00 175.52 177.25 2pwy h GLN 200 N 1.10 0.91 -0.17 4.72 4.20 -1.76 -1.39 115.11 122.72 2pwy h GLN 200 Ca 0.24 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.73 2pwy h GLN 200 Cb 0.29 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2pwy h GLN 200 CO -0.01 0.90 -0.06 0.28 -0.67 0.00 0.00 178.83 179.27 2pwy h VAL 201 N 0.79 0.79 -0.76 -0.54 2.07 -0.98 -0.05 116.25 117.57 2pwy h VAL 201 Ca 0.16 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 2pwy h VAL 201 Cb 0.45 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2pwy h VAL 201 CO 0.02 0.00 0.28 -0.07 0.02 0.00 0.00 177.57 177.82 2pwy h LEU 202 N -0.03 1.07 -0.47 2.57 3.38 -0.97 -0.31 115.31 120.55 2pwy h LEU 202 Ca 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2pwy h LEU 202 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2pwy h LEU 202 CO -0.19 0.96 0.27 -0.08 0.09 0.00 0.00 178.44 179.49 2pwy h GLU 203 N 1.12 0.65 -0.55 1.13 4.81 -0.90 -1.50 114.58 119.35 2pwy h GLU 203 Ca 0.25 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2pwy h GLU 203 Cb 0.24 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2pwy h GLU 203 CO -0.02 0.50 0.25 1.25 -0.73 0.00 0.00 179.01 180.26 2pwy h LEU 204 N 0.63 0.74 -0.48 1.64 5.85 -0.53 -0.14 115.31 123.02 2pwy h LEU 204 Ca 0.17 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2pwy h LEU 204 Cb 0.03 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2pwy h LEU 204 CO -0.03 0.68 0.27 0.58 -0.34 0.00 0.00 178.44 179.59 2pwy h VAL 205 N 0.74 1.01 -0.35 1.05 2.07 -0.86 0.43 116.25 120.35 2pwy h VAL 205 Ca 0.19 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2pwy h VAL 205 Cb 0.15 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2pwy h VAL 205 CO -0.02 0.10 0.02 0.03 0.02 0.00 0.00 177.57 177.72 2pwy h ARG 206 N 0.53 0.61 -0.63 1.57 -0.00 -1.07 -3.08 114.38 112.31 2pwy h ARG 206 Ca 0.20 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.98 59.48 2pwy h ARG 206 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 29.97 29.94 2pwy h ARG 206 CO -0.11 0.71 0.35 0.00 0.00 0.00 0.00 179.97 180.91 2pwy h ALA 207 N 0.88 1.42 0.00 0.04 0.00 -0.64 -2.08 119.26 118.87 2pwy h ALA 207 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pwy h ALA 207 Cb 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pwy h ALA 207 CO 0.01 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.74 2pwy h ALA 208 N 1.50 1.00 0.00 0.00 0.00 -0.83 -1.83 119.26 119.10 2pwy h ALA 208 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2pwy h ALA 208 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pwy h ALA 208 CO -0.04 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.60 2pwy n GLU 209 N -2.78 0.21 -0.34 0.00 1.02 -0.78 -2.05 120.64 115.93 2pwy n GLU 209 Ca 0.00 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.39 2pwy n GLU 209 Cb 0.23 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.45 2pwy n GLU 209 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pwy n ALA 210 N -1.31 2.36 -2.18 0.62 0.00 -0.69 -4.99 120.51 114.32 2pwy n ALA 210 Ca 0.08 -1.26 -0.11 0.00 0.00 0.00 0.00 53.44 52.15 2pwy n ALA 210 Cb 0.14 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 2pwy n ALA 210 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2pwy s HIS 211 N -1.05 0.94 -1.21 0.00 3.76 -0.87 -5.05 115.29 111.82 2pwy s HIS 211 Ca 0.46 -1.03 -0.12 0.00 -0.15 0.00 0.00 55.06 54.22 2pwy s HIS 211 Cb 0.24 -0.55 -0.06 0.00 1.11 0.00 0.00 32.58 33.32 2pwy s HIS 211 CO 0.32 -0.27 2.34 -0.35 -0.85 0.00 0.00 174.74 175.93 2pwy n PRO 212 N -0.10 2.59 -4.33 8.40 -0.04 -1.26 -4.83 135.00 135.43 2pwy n PRO 212 Ca -0.09 -2.00 -0.19 0.00 -0.04 0.00 0.00 63.50 61.18 2pwy n PRO 212 Cb 0.62 -2.83 -0.14 0.00 -0.04 0.00 0.00 33.50 31.11 2pwy n PRO 212 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pwy s PHE 213 N 3.35 1.00 -0.15 0.54 0.08 -1.26 -0.95 117.98 120.59 2pwy s PHE 213 Ca 0.53 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 57.27 2pwy s PHE 213 Cb 0.14 -0.61 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2pwy s PHE 213 CO -0.02 0.00 -0.11 0.50 -0.10 0.00 0.00 175.22 175.49 2pwy s ARG 214 N -0.84 3.43 0.14 0.44 3.52 0.43 -4.80 118.95 121.26 2pwy s ARG 214 Ca 0.01 -0.65 -0.31 0.00 -0.13 0.00 0.00 55.73 54.64 2pwy s ARG 214 Cb -0.06 -2.72 -0.09 0.00 -1.56 0.00 0.00 34.95 30.51 2pwy s ARG 214 CO 0.01 0.16 1.55 -1.17 -0.81 0.00 0.00 175.30 175.04 2pwy s LEU 215 N 0.51 4.37 -0.05 -0.88 2.96 -1.26 -0.33 118.68 123.99 2pwy s LEU 215 Ca -0.07 2.55 -0.00 0.00 -0.22 0.00 0.00 54.13 56.38 2pwy s LEU 215 Cb -0.15 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 2pwy s LEU 215 CO 0.04 -0.80 -0.05 -0.62 -1.32 0.00 0.00 176.35 173.60 2pwy n GLU 216 N 4.20 0.11 -3.80 1.98 -0.58 -0.00 -4.89 120.64 117.66 2pwy n GLU 216 Ca 0.14 0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.78 2pwy n GLU 216 Cb 0.39 -0.98 -0.11 0.00 -0.57 0.00 0.00 31.44 30.17 2pwy n GLU 216 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2pwy s ARG 217 N -2.09 0.33 -0.12 3.49 1.81 -0.97 -4.98 118.95 116.41 2pwy s ARG 217 Ca -0.06 0.16 -0.01 0.00 -1.72 0.00 0.00 55.73 54.10 2pwy s ARG 217 Cb 0.02 0.15 0.03 0.00 -0.45 0.00 0.00 34.95 34.70 2pwy s ARG 217 CO 0.10 -0.06 -0.05 0.08 -0.68 0.00 0.00 175.30 174.69 2pwy s VAL 218 N -0.23 0.92 0.09 3.52 1.01 -1.26 -0.72 120.40 123.74 2pwy s VAL 218 Ca -0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2pwy s VAL 218 Cb -0.03 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 2pwy s VAL 218 CO 0.01 0.26 0.10 -1.48 0.00 0.00 0.00 175.10 173.99 2pwy s LEU 219 N 1.74 1.83 -0.15 3.92 0.05 -0.13 -4.98 118.68 120.95 2pwy s LEU 219 Ca 0.04 -0.90 0.01 0.00 0.05 0.00 0.00 54.13 53.33 2pwy s LEU 219 Cb -0.13 0.62 0.00 0.00 -2.05 0.00 0.00 46.19 44.63 2pwy s LEU 219 CO -0.08 -0.70 -0.16 -1.61 -0.55 0.00 0.00 176.35 173.25 2pwy s GLU 220 N -3.92 3.19 -0.09 1.48 2.02 -1.26 -0.70 118.70 119.41 2pwy s GLU 220 Ca 0.10 -0.76 -0.21 0.00 0.02 0.00 0.00 54.97 54.12 2pwy s GLU 220 Cb 0.06 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 2pwy s GLU 220 CO -0.07 0.01 0.59 0.08 0.02 0.00 0.00 175.26 175.88 2pwy s VAL 221 N 0.83 5.12 -0.07 2.63 1.01 -1.26 -5.07 120.40 123.59 2pwy s VAL 221 Ca -0.05 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.16 2pwy s VAL 221 Cb -0.15 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2pwy s VAL 221 CO -0.01 0.29 -0.18 -0.83 0.00 0.00 0.00 175.10 174.37 2pwy s GLY 222 N 0.71 1.04 -0.43 4.51 0.00 -1.26 -4.89 107.32 107.01 2pwy s GLY 222 Ca 0.32 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 2pwy s GLY 222 CO 0.14 -0.20 0.20 -0.98 0.00 0.00 0.00 173.10 172.26 2pwy s TRP 223 N 0.35 3.58 -0.56 1.90 0.52 -1.26 -5.06 118.94 118.41 2pwy s TRP 223 Ca -0.13 -2.67 -0.25 0.00 0.02 0.00 0.00 56.10 53.07 2pwy s TRP 223 Cb -0.15 -3.12 0.04 0.00 -1.15 0.00 0.00 33.47 29.09 2pwy s TRP 223 CO 0.05 -0.93 1.00 0.50 0.02 0.00 0.00 176.95 177.59 2pwy s ARG 224 N 0.82 3.38 0.25 4.98 3.52 -1.26 -4.94 118.95 125.69 2pwy s ARG 224 Ca 0.11 -0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.28 2pwy s ARG 224 Cb -0.22 -4.04 -0.09 0.00 -1.56 0.00 0.00 34.95 29.04 2pwy s ARG 224 CO -0.05 -1.54 0.93 -1.21 -0.81 0.00 0.00 175.30 172.63 2pwy s GLU 225 N 4.20 4.80 0.07 5.12 0.41 -1.26 -4.97 118.70 127.07 2pwy s GLU 225 Ca 0.33 1.45 0.03 0.00 -0.41 0.00 0.00 54.97 56.37 2pwy s GLU 225 Cb -0.11 -3.20 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 2pwy s GLU 225 CO 0.21 0.48 0.07 -1.58 -0.49 0.00 0.00 175.26 173.95 2pwy s TRP 226 N -1.25 3.18 -0.30 1.61 0.52 -1.26 -0.22 118.94 121.21 2pwy s TRP 226 Ca 0.42 0.08 -0.11 0.00 0.02 0.00 0.00 56.10 56.51 2pwy s TRP 226 Cb -0.25 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 2pwy s TRP 226 CO 0.30 0.52 0.19 -2.00 0.02 0.00 0.00 176.95 175.98 2pwy s GLU 227 N -2.30 3.72 -0.20 4.98 2.12 0.67 -4.74 118.70 122.95 2pwy s GLU 227 Ca 0.28 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.13 2pwy s GLU 227 Cb -0.12 -3.67 0.06 0.00 0.26 0.00 0.00 34.13 30.66 2pwy s GLU 227 CO 0.21 -0.29 -0.02 0.08 -0.54 0.00 0.00 175.26 174.70 2pwy s VAL 228 N 1.72 1.06 -0.38 3.70 1.01 -1.26 -1.66 120.40 124.59 2pwy s VAL 228 Ca 0.06 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2pwy s VAL 228 Cb -0.16 -1.39 0.15 0.00 0.00 0.00 0.00 36.38 34.98 2pwy s VAL 228 CO 0.10 -0.08 0.30 -0.13 0.00 0.00 0.00 175.10 175.28 2pwy s ARG 229 N 1.62 0.69 0.18 2.72 0.52 -0.01 -5.00 118.95 119.67 2pwy s ARG 229 Ca -0.03 -1.45 -0.33 0.00 -0.52 0.00 0.00 55.73 53.41 2pwy s ARG 229 Cb -0.17 -1.16 -0.15 0.00 0.52 0.00 0.00 34.95 33.98 2pwy s ARG 229 CO -0.07 -1.26 1.28 1.28 0.02 0.00 0.00 175.30 176.54 2pwy n LEU 230 N 3.69 2.09 -0.35 2.53 4.77 -1.26 -1.14 117.00 127.33 2pwy n LEU 230 Ca 0.17 1.14 0.07 0.00 -0.03 0.00 0.00 56.01 57.36 2pwy n LEU 230 Cb 0.43 -1.29 0.29 0.00 -2.33 0.00 0.00 43.42 40.51 2pwy n LEU 230 CO 0.11 -0.98 0.70 -0.81 -1.33 0.00 0.00 177.39 175.08 2pwy n PRO 231 N 2.01 1.45 -2.54 3.23 -0.04 -1.26 -5.09 135.00 132.75 2pwy n PRO 231 Ca 0.14 -0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 62.50 2pwy n PRO 231 Cb 0.26 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2pwy n PRO 231 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2pwy s VAL 232 N -1.81 4.26 -0.30 0.52 1.01 -0.29 -5.01 120.40 118.79 2pwy s VAL 232 Ca 0.23 1.70 -0.02 0.00 0.00 0.00 0.00 61.98 63.90 2pwy s VAL 232 Cb 0.12 -4.09 0.19 0.00 0.00 0.00 0.00 36.38 32.60 2pwy s VAL 232 CO 0.18 0.18 0.69 0.00 0.00 0.00 0.00 175.10 176.14 2pwy s ALA 233 N 0.69 -2.58 0.06 5.51 0.00 -1.25 -0.83 121.76 123.35 2pwy s ALA 233 Ca 0.54 1.55 -0.27 0.00 0.00 0.00 0.00 51.96 53.78 2pwy s ALA 233 Cb -0.27 -2.36 0.07 0.00 0.00 0.00 0.00 23.12 20.57 2pwy s ALA 233 CO 0.30 -1.53 0.63 -3.38 0.00 0.00 0.00 175.76 171.79 2pwy s HIS 234 N 2.87 -0.59 0.37 0.00 -3.43 -0.66 -5.01 115.29 108.83 2pwy s HIS 234 Ca 0.15 0.71 -0.26 0.00 -0.80 0.00 0.00 55.06 54.86 2pwy s HIS 234 Cb -0.12 0.48 -0.12 0.00 -1.43 0.00 0.00 32.58 31.39 2pwy s HIS 234 CO -0.21 -0.73 1.14 -2.30 -2.00 0.00 0.00 174.74 170.64 2pwy n PRO 235 N 0.26 1.69 -1.69 -0.38 -0.02 -1.26 -0.24 135.00 133.35 2pwy n PRO 235 Ca -0.18 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 2pwy n PRO 235 Cb 0.61 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 2pwy n PRO 235 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pwy n ARG 236 N 0.38 2.13 -0.15 -0.52 1.74 0.69 -4.66 116.66 116.27 2pwy n ARG 236 Ca 0.07 0.75 -0.00 0.00 -0.77 0.00 0.00 57.85 57.90 2pwy n ARG 236 Cb 0.37 -2.36 0.25 0.00 -1.02 0.00 0.00 32.46 29.69 2pwy n ARG 236 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2pwy h PHE 237 N 3.12 0.85 -3.26 -1.55 0.04 -1.90 -3.39 116.94 110.85 2pwy h PHE 237 Ca -0.46 -0.02 -0.66 0.00 2.80 0.00 0.00 57.97 59.63 2pwy h PHE 237 Cb 1.28 -0.27 -0.31 0.00 2.20 0.00 0.00 35.95 38.85 2pwy h PHE 237 CO 0.53 0.61 -0.80 -0.65 -0.60 0.00 0.00 178.31 177.40 2pwy s GLN 238 N -5.53 3.21 0.21 1.51 -1.52 -1.26 -5.13 119.66 111.14 2pwy s GLN 238 Ca -0.10 -0.74 0.11 0.00 -1.95 0.00 0.00 55.36 52.68 2pwy s GLN 238 Cb 0.17 -2.70 -0.05 0.00 -0.22 0.00 0.00 33.01 30.22 2pwy s GLN 238 CO 0.78 -0.07 -0.23 -0.65 -0.25 0.00 0.00 175.29 174.87 2pwy s GLN 239 N 1.05 1.53 -0.26 2.91 -1.52 -1.26 -5.05 119.66 117.06 2pwy s GLN 239 Ca -0.01 -1.56 -0.29 0.00 -1.95 0.00 0.00 55.36 51.55 2pwy s GLN 239 Cb -0.15 -1.80 -0.03 0.00 -0.22 0.00 0.00 33.01 30.81 2pwy s GLN 239 CO -0.03 0.38 1.84 0.08 -0.25 0.00 0.00 175.29 177.30 2pwy s VAL 240 N -1.85 3.42 0.08 1.09 1.01 -1.26 -4.88 120.40 118.02 2pwy s VAL 240 Ca 0.22 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.69 2pwy s VAL 240 Cb -0.07 -3.51 -0.23 0.00 0.00 0.00 0.00 36.38 32.57 2pwy s VAL 240 CO 0.11 -0.28 1.15 1.23 0.00 0.00 0.00 175.10 177.30 2pwy h GLY 241 N 13.20 0.09 -4.57 4.51 0.00 -1.99 -3.48 103.07 110.83 2pwy h GLY 241 Ca -0.36 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 2pwy h GLY 241 CO 1.00 0.21 0.18 -1.58 0.00 0.00 0.00 176.54 176.35 2pwy s HIS 242 N -2.68 -0.71 0.07 5.60 2.46 -1.26 -5.05 115.29 113.71 2pwy s HIS 242 Ca -0.02 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.05 2pwy s HIS 242 Cb 0.09 0.34 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 2pwy s HIS 242 CO 0.84 -0.47 0.00 0.25 -2.47 0.00 0.00 174.74 172.89 2pwy n THR 243 N 1.87 0.65 -3.59 0.89 -2.24 -1.26 -5.15 114.28 105.46 2pwy n THR 243 Ca -0.16 0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 2pwy n THR 243 Cb 0.56 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.52 2pwy n THR 243 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pwy s ALA 244 N -2.00 -1.29 0.32 6.98 0.00 -1.26 -4.47 121.76 120.04 2pwy s ALA 244 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.93 2pwy s ALA 244 Cb 0.00 0.85 -0.09 0.00 0.00 0.00 0.00 23.12 23.88 2pwy s ALA 244 CO 0.00 -0.79 0.76 -0.06 0.00 0.00 0.00 175.76 175.67 2pwy s PHE 245 N -3.81 3.41 -0.15 0.00 0.08 0.15 -4.58 117.98 113.08 2pwy s PHE 245 Ca 0.05 1.30 -0.04 0.00 0.12 0.00 0.00 56.93 58.36 2pwy s PHE 245 Cb -0.01 -2.59 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 2pwy s PHE 245 CO -0.08 0.10 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.60 2pwy s LEU 246 N -2.85 3.28 -0.19 -0.37 1.43 0.13 -0.87 118.68 119.23 2pwy s LEU 246 Ca 0.54 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2pwy s LEU 246 Cb -0.11 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.34 2pwy s LEU 246 CO 0.17 0.19 -0.18 -0.69 0.23 0.00 0.00 176.35 176.07 2pwy s VAL 247 N 0.26 2.19 -0.17 -1.59 1.01 0.15 -0.96 120.40 121.29 2pwy s VAL 247 Ca -0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 2pwy s VAL 247 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2pwy s VAL 247 CO 0.03 0.48 -0.02 0.00 0.00 0.00 0.00 175.10 175.59 2pwy s ALA 248 N 1.29 3.04 0.01 5.51 0.00 0.11 -0.55 121.76 131.17 2pwy s ALA 248 Ca 0.04 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.21 2pwy s ALA 248 Cb -0.14 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 2pwy s ALA 248 CO -0.11 0.10 -0.22 -0.51 0.00 0.00 0.00 175.76 175.01 2pwy s LEU 249 N 0.55 2.33 -0.16 0.00 1.43 0.53 -0.82 118.68 122.53 2pwy s LEU 249 Ca -0.02 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 2pwy s LEU 249 Cb -0.14 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2pwy s LEU 249 CO 0.02 0.29 0.03 -0.60 0.23 0.00 0.00 176.35 176.32 2pwy s ARG 250 N -1.05 3.79 0.17 1.70 3.52 0.55 -1.00 118.95 126.62 2pwy s ARG 250 Ca 0.12 -0.39 -0.31 0.00 -0.13 0.00 0.00 55.73 55.02 2pwy s ARG 250 Cb -0.10 -3.09 -0.10 0.00 -1.56 0.00 0.00 34.95 30.10 2pwy s ARG 250 CO 0.02 0.32 1.51 0.50 -0.81 0.00 0.00 175.30 176.84 2pwy s ARG 251 N 0.21 4.24 0.63 5.12 6.06 0.05 -0.43 118.95 134.84 2pwy s ARG 251 Ca 0.02 2.29 -0.18 0.00 -2.50 0.00 0.00 55.73 55.37 2pwy s ARG 251 Cb -0.13 -3.17 -0.03 0.00 0.06 0.00 0.00 34.95 31.69 2pwy s ARG 251 CO 0.01 -0.54 1.05 0.91 -2.50 0.00 0.00 175.30 174.23 2pwy n TRP 252 N 3.72 1.09 -1.42 5.12 7.02 -0.13 -0.54 117.44 132.31 2pwy n TRP 252 Ca 0.12 0.42 -0.49 0.00 -1.02 0.00 0.00 57.50 56.54 2pwy n TRP 252 Cb 0.39 -2.16 -0.03 0.00 -2.42 0.00 0.00 31.31 27.09 2pwy n TRP 252 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2pwy n LYS 253 N -1.39 0.05 -1.43 -0.99 4.81 -1.26 -4.06 118.16 113.90 2pwy n LYS 253 Ca 0.14 0.02 -0.31 0.00 -0.87 0.00 0.00 58.31 57.29 2pwy n LYS 253 Cb 0.48 -1.07 0.07 0.00 0.02 0.00 0.00 35.03 34.53 2pwy n LYS 253 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2pwy s GLY 254 N -0.90 1.67 0.00 3.14 0.00 -1.26 -5.01 107.32 104.95 2pwy s GLY 254 Ca 0.66 0.14 0.00 0.00 0.00 0.00 0.00 44.72 45.52 2pwy s GLY 254 CO 0.56 0.48 0.00 1.44 0.00 0.00 0.00 173.10 175.58