#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfa h LYS 2 N 0.00 0.31 -0.17 0.03 6.56 -2.08 -3.47 116.57 117.75 1nfa h LYS 2 Ca 0.00 -0.34 0.26 0.00 -1.06 0.00 0.00 60.65 59.51 1nfa h LYS 2 Cb 0.00 0.10 -0.26 0.00 -0.57 0.00 0.00 32.23 31.50 1nfa h LYS 2 CO 0.00 1.04 0.46 0.34 -2.06 0.00 0.00 179.45 179.23 1nfa s ASP 3 N -6.59 -0.12 0.00 0.86 2.15 -1.26 -5.04 116.67 106.68 1nfa s ASP 3 Ca -0.14 0.14 0.05 0.00 0.43 0.00 0.00 52.55 53.03 1nfa s ASP 3 Cb 0.02 1.12 -0.24 0.00 -0.30 0.00 0.00 42.92 43.53 1nfa s ASP 3 CO 0.79 -0.02 0.84 4.11 -0.17 0.00 0.00 175.17 180.71 1nfa h TRP 4 N 7.30 0.17 -0.10 -5.34 5.08 -2.08 -3.45 115.95 117.53 1nfa h TRP 4 Ca -0.13 -0.12 0.06 0.00 1.08 0.00 0.00 58.89 59.78 1nfa h TRP 4 Cb 1.14 -0.01 -0.16 0.00 -3.00 0.00 0.00 29.16 27.14 1nfa h TRP 4 CO 0.19 1.17 -0.08 -1.14 -1.28 0.00 0.00 178.44 177.31 1nfa s GLN 5 N -2.63 0.10 -0.32 0.12 -0.44 -1.26 -5.12 119.66 110.11 1nfa s GLN 5 Ca -0.06 -0.09 0.03 0.00 -2.50 0.00 0.00 55.36 52.74 1nfa s GLN 5 Cb 0.08 -0.00 0.19 0.00 -1.64 0.00 0.00 33.01 31.64 1nfa s GLN 5 CO 0.83 -0.13 0.70 -1.17 0.50 0.00 0.00 175.29 176.02 1nfa s LEU 6 N 1.20 -1.35 0.35 3.68 2.96 -1.26 -5.15 118.68 119.11 1nfa s LEU 6 Ca 0.21 -0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 53.78 1nfa s LEU 6 Cb 0.12 1.81 -0.09 0.00 0.50 0.00 0.00 46.19 48.53 1nfa s LEU 6 CO -0.12 -0.22 1.00 -2.16 -1.32 0.00 0.00 176.35 173.53 1nfa s PRO 7 N 2.57 4.41 -0.43 0.98 0.04 -1.26 -5.00 135.00 136.31 1nfa s PRO 7 Ca 0.14 1.45 0.08 0.00 0.04 0.00 0.00 61.00 62.72 1nfa s PRO 7 Cb -0.07 -2.72 0.34 0.00 0.04 0.00 0.00 34.50 32.09 1nfa s PRO 7 CO -0.20 0.09 1.04 -1.13 0.04 0.00 0.00 177.00 176.83 1nfa n SER 8 N 0.34 -1.33 -4.74 6.66 3.41 -1.26 -5.11 113.62 111.58 1nfa n SER 8 Ca 0.03 -3.37 -0.35 0.00 -0.26 0.00 0.00 58.87 54.92 1nfa n SER 8 Cb 0.49 1.09 -0.08 0.00 -0.26 0.00 0.00 64.21 65.45 1nfa n SER 8 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1nfa s HIS 9 N -0.57 3.42 -0.31 7.33 5.04 -1.26 -4.83 115.29 124.10 1nfa s HIS 9 Ca 0.27 0.34 0.03 0.00 -1.54 0.00 0.00 55.06 54.16 1nfa s HIS 9 Cb 0.32 -2.15 0.18 0.00 0.04 0.00 0.00 32.58 30.97 1nfa s HIS 9 CO -0.06 0.32 1.22 -1.13 -2.34 0.00 0.00 174.74 172.75 1nfa n SER 10 N 3.42 -1.12 -0.39 9.88 3.41 -1.26 -5.16 113.62 122.39 1nfa n SER 10 Ca -0.16 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1nfa n SER 10 Cb 0.52 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 1nfa n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nfa n GLY 11 N -0.04 6.44 0.00 5.00 0.00 -1.26 -5.00 105.19 110.32 1nfa n GLY 11 Ca -0.18 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 43.90 1nfa n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nfa n PRO 12 N -0.03 0.07 -2.38 1.61 -0.04 -1.26 -4.80 135.00 128.18 1nfa n PRO 12 Ca 0.00 0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 1nfa n PRO 12 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1nfa n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1nfa s TYR 13 N -2.92 3.41 -0.10 0.54 2.02 -1.24 -4.06 117.35 114.99 1nfa s TYR 13 Ca 0.15 1.30 -0.04 0.00 -0.37 0.00 0.00 57.07 58.10 1nfa s TYR 13 Cb 0.17 -3.45 0.05 0.00 -0.40 0.00 0.00 41.96 38.33 1nfa s TYR 13 CO 0.46 -1.39 0.22 -1.21 -1.57 0.00 0.00 175.55 172.07 1nfa s GLU 14 N 0.66 0.14 -0.66 -0.62 2.02 -1.24 -4.90 118.70 114.11 1nfa s GLU 14 Ca 0.58 0.60 0.05 0.00 0.02 0.00 0.00 54.97 56.21 1nfa s GLU 14 Cb -0.31 -0.13 0.16 0.00 0.10 0.00 0.00 34.13 33.95 1nfa s GLU 14 CO 0.32 -0.23 0.43 -1.17 0.02 0.00 0.00 175.26 174.62 1nfa s LEU 15 N 1.86 4.69 0.25 1.80 2.96 -1.26 -1.76 118.68 127.22 1nfa s LEU 15 Ca -0.03 -3.64 0.11 0.00 -0.22 0.00 0.00 54.13 50.34 1nfa s LEU 15 Cb -0.11 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1nfa s LEU 15 CO -0.08 -0.12 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.04 1nfa s ARG 16 N -1.16 1.58 0.31 1.98 6.06 -1.25 -4.90 118.95 121.57 1nfa s ARG 16 Ca 0.23 -1.70 -0.28 0.00 -2.50 0.00 0.00 55.73 51.48 1nfa s ARG 16 Cb -0.10 -1.62 -0.09 0.00 0.06 0.00 0.00 34.95 33.20 1nfa s ARG 16 CO -0.12 0.30 1.05 0.42 -2.50 0.00 0.00 175.30 174.44 1nfa s ILE 17 N -2.54 3.71 0.15 4.11 1.09 -1.26 -3.64 121.20 122.82 1nfa s ILE 17 Ca 0.27 1.57 -0.13 0.00 -1.10 0.00 0.00 60.65 61.26 1nfa s ILE 17 Cb -0.04 -3.94 0.02 0.00 -1.06 0.00 0.00 42.46 37.44 1nfa s ILE 17 CO 0.13 0.26 1.63 -0.08 -0.10 0.00 0.00 174.94 176.77 1nfa h GLU 18 N 3.42 0.82 -3.47 2.79 4.81 -1.87 -3.44 114.58 117.64 1nfa h GLU 18 Ca -0.47 -0.22 -0.26 0.00 -0.13 0.00 0.00 59.36 58.28 1nfa h GLU 18 Cb 1.21 -0.09 -0.31 0.00 0.63 0.00 0.00 28.75 30.18 1nfa h GLU 18 CO 0.65 0.82 -0.67 0.08 -0.73 0.00 0.00 179.01 179.17 1nfa s VAL 19 N -5.18 -0.04 -0.71 0.32 1.01 -1.26 -5.03 120.40 109.51 1nfa s VAL 19 Ca -0.13 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1nfa s VAL 19 Cb 0.11 -0.13 0.20 0.00 0.00 0.00 0.00 36.38 36.56 1nfa s VAL 19 CO 0.80 0.06 0.60 0.00 0.00 0.00 0.00 175.10 176.56 1nfa n GLN 20 N 3.85 2.13 -1.24 2.72 1.13 -1.26 -3.15 117.38 121.55 1nfa n GLN 20 Ca -0.23 -4.55 -0.21 0.00 -1.94 0.00 0.00 57.00 50.08 1nfa n GLN 20 Cb 0.53 -2.29 0.15 0.00 0.11 0.00 0.00 30.24 28.74 1nfa n GLN 20 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1nfa n PRO 21 N 1.66 -1.18 -1.51 -1.09 -0.04 -1.26 -4.79 135.00 126.79 1nfa n PRO 21 Ca 0.23 -1.42 -0.39 0.00 -0.04 0.00 0.00 63.50 61.89 1nfa n PRO 21 Cb 0.37 -1.00 -0.13 0.00 -0.04 0.00 0.00 33.50 32.70 1nfa n PRO 21 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nfa n LYS 22 N -3.13 0.22 -1.24 0.54 4.01 -1.26 -4.73 118.16 112.57 1nfa n LYS 22 Ca 0.12 -0.01 -0.30 0.00 -0.51 0.00 0.00 58.31 57.61 1nfa n LYS 22 Cb 0.41 -1.90 0.06 0.00 -0.51 0.00 0.00 35.03 33.08 1nfa n LYS 22 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1nfa n SER 23 N 11.49 7.30 -5.00 4.39 2.88 -1.26 -4.61 113.62 128.81 1nfa n SER 23 Ca 0.60 -3.56 -0.18 0.00 -1.33 0.00 0.00 58.87 54.39 1nfa n SER 23 Cb 0.15 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1nfa n SER 23 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1nfa s HIS 24 N -3.19 3.01 -0.06 0.66 -3.43 -1.26 -4.61 115.29 106.41 1nfa s HIS 24 Ca 0.54 -0.28 -0.03 0.00 -0.80 0.00 0.00 55.06 54.49 1nfa s HIS 24 Cb 0.42 -2.14 0.03 0.00 -1.43 0.00 0.00 32.58 29.46 1nfa s HIS 24 CO -0.04 -0.17 0.13 -1.58 -2.00 0.00 0.00 174.74 171.08 1nfa s HIS 25 N -2.24 -0.14 -0.98 0.38 2.46 -1.26 -4.89 115.29 108.62 1nfa s HIS 25 Ca 0.49 0.40 -0.03 0.00 0.47 0.00 0.00 55.06 56.39 1nfa s HIS 25 Cb -0.10 -0.05 0.27 0.00 -0.13 0.00 0.00 32.58 32.58 1nfa s HIS 25 CO 0.32 -0.12 1.13 -2.13 -2.47 0.00 0.00 174.74 171.47 1nfa n ARG 26 N 3.77 3.57 -0.71 2.88 0.00 -1.26 -4.43 116.66 120.47 1nfa n ARG 26 Ca -0.21 -4.54 -0.32 0.00 -0.00 0.00 0.00 57.85 52.78 1nfa n ARG 26 Cb 0.54 -2.45 0.15 0.00 0.00 0.00 0.00 32.46 30.70 1nfa n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nfa n ALA 27 N 1.73 -2.08 -1.09 5.13 0.00 -1.26 -4.91 120.51 118.02 1nfa n ALA 27 Ca 0.25 -0.69 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 1nfa n ALA 27 Cb 0.36 -1.94 0.12 0.00 0.00 0.00 0.00 19.45 18.00 1nfa n ALA 27 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nfa s HIS 28 N -2.48 1.90 0.00 0.00 0.09 -1.26 -4.89 115.29 108.65 1nfa s HIS 28 Ca 0.61 1.67 0.00 0.00 -0.00 0.00 0.00 55.06 57.35 1nfa s HIS 28 Cb -0.21 -3.41 0.00 0.00 -0.00 0.00 0.00 32.58 28.96 1nfa s HIS 28 CO 0.64 -2.67 0.00 0.66 -0.00 0.00 0.00 174.74 173.37 1nfa n TYR 29 N -3.38 0.00 0.00 1.40 4.01 -1.26 -3.61 117.16 114.32 1nfa n TYR 29 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1nfa n TYR 29 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1nfa n TYR 29 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1nfa n GLU 30 N 0.00 0.00 -2.69 -0.72 1.02 -1.26 -4.43 120.64 112.55 1nfa n GLU 30 Ca 0.00 0.21 -0.07 0.00 -0.02 0.00 0.00 57.16 57.28 1nfa n GLU 30 Cb 0.00 -0.77 0.04 0.00 -0.02 0.00 0.00 31.44 30.70 1nfa n GLU 30 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1nfa n THR 31 N -0.48 0.95 -3.45 2.62 -2.24 -1.26 -5.00 114.28 105.42 1nfa n THR 31 Ca 0.00 -2.87 -0.28 0.00 -2.27 0.00 0.00 64.05 58.63 1nfa n THR 31 Cb 0.00 0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 68.93 1nfa n THR 31 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1nfa s GLU 32 N -2.93 0.82 -0.01 -0.78 -1.05 -1.26 -5.10 118.70 108.38 1nfa s GLU 32 Ca 0.26 -1.82 -0.29 0.00 -0.15 0.00 0.00 54.97 52.97 1nfa s GLU 32 Cb 0.43 -1.46 0.08 0.00 -0.44 0.00 0.00 34.13 32.74 1nfa s GLU 32 CO 0.01 -1.31 0.71 0.20 0.95 0.00 0.00 175.26 175.82 1nfa s GLY 33 N 0.44 -0.55 0.00 -3.83 0.00 -1.26 -4.35 107.32 97.77 1nfa s GLY 33 Ca 0.26 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.16 1nfa s GLY 33 CO -0.11 0.75 0.00 1.44 0.00 0.00 0.00 173.10 175.18 1nfa n SER 34 N 0.53 0.00 -2.92 1.64 7.64 -1.26 -5.02 113.62 114.22 1nfa n SER 34 Ca -0.17 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.51 1nfa n SER 34 Cb 0.59 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 1nfa n SER 34 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1nfa n ARG 35 N 0.00 1.91 -4.54 1.43 -4.01 -1.26 -5.06 116.66 105.13 1nfa n ARG 35 Ca 0.00 -3.88 -0.25 0.00 -1.04 0.00 0.00 57.85 52.68 1nfa n ARG 35 Cb 0.00 -1.82 -0.17 0.00 -3.04 0.00 0.00 32.46 27.44 1nfa n ARG 35 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1nfa s GLY 36 N -2.99 0.79 1.26 2.89 0.00 -1.26 -5.13 107.32 102.87 1nfa s GLY 36 Ca 0.41 -0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.55 1nfa s GLY 36 CO -0.08 0.16 1.00 0.00 0.00 0.00 0.00 173.10 174.17 1nfa s ALA 37 N 0.72 -0.56 -0.12 3.20 0.00 -1.26 -4.79 121.76 118.95 1nfa s ALA 37 Ca -0.14 -0.42 -0.35 0.00 0.00 0.00 0.00 51.96 51.06 1nfa s ALA 37 Cb -0.16 -3.12 -0.12 0.00 0.00 0.00 0.00 23.12 19.72 1nfa s ALA 37 CO 0.03 -4.10 1.89 1.55 0.00 0.00 0.00 175.76 175.13 1nfa n VAL 38 N -5.15 0.55 -3.48 0.00 3.14 -1.26 -4.92 118.33 107.20 1nfa n VAL 38 Ca 0.06 -0.11 -0.25 0.00 -2.96 0.00 0.00 64.34 61.08 1nfa n VAL 38 Cb 0.57 -1.83 -0.13 0.00 -1.06 0.00 0.00 33.84 31.38 1nfa n VAL 38 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1nfa s LYS 39 N 4.15 0.26 0.00 1.45 1.02 -1.26 -4.78 119.74 120.59 1nfa s LYS 39 Ca 0.94 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.49 1nfa s LYS 39 Cb -0.72 -0.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1nfa s LYS 39 CO 0.53 -1.04 0.00 0.00 -0.92 0.00 0.00 175.35 173.92 1nfa n ALA 40 N 5.19 0.00 -1.95 5.17 0.00 -1.22 -4.89 120.51 122.81 1nfa n ALA 40 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.16 1nfa n ALA 40 Cb 0.43 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.96 1nfa n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nfa s SER 41 N -1.00 4.76 -0.95 0.00 0.01 -1.26 -3.91 113.70 111.34 1nfa s SER 41 Ca 0.00 0.21 -0.08 0.00 1.31 0.00 0.00 55.95 57.39 1nfa s SER 41 Cb 0.00 -0.85 -0.02 0.00 0.21 0.00 0.00 66.02 65.36 1nfa s SER 41 CO 0.00 -1.59 0.78 0.00 0.41 0.00 0.00 173.24 172.84 1nfa n ALA 42 N -2.82 -2.55 0.00 1.44 0.00 -1.26 -2.20 120.51 113.12 1nfa n ALA 42 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1nfa n ALA 42 Cb 0.60 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.69 1nfa n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nfa n GLY 43 N -1.59 2.10 0.00 0.00 0.00 -1.26 -3.66 105.19 100.78 1nfa n GLY 43 Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1nfa n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfa n GLY 44 N 0.00 0.00 0.00 -0.02 0.00 -1.14 -4.55 105.19 99.48 1nfa n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nfa n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nfa n HIS 45 N 0.00 0.00 -1.71 1.61 8.25 -0.93 -3.46 115.22 118.98 1nfa n HIS 45 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1nfa n HIS 45 Cb 0.00 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.25 1nfa n HIS 45 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1nfa s PRO 46 N -2.00 1.17 0.28 -0.41 0.04 -1.26 -4.58 135.00 128.25 1nfa s PRO 46 Ca 0.00 0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.18 1nfa s PRO 46 Cb 0.00 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1nfa s PRO 46 CO 0.00 -2.13 0.25 0.42 0.04 0.00 0.00 177.00 175.58 1nfa s ILE 47 N -3.48 4.21 -0.03 0.56 -1.09 -1.19 -3.77 121.20 116.42 1nfa s ILE 47 Ca 0.66 -1.35 -0.01 0.00 -2.23 0.00 0.00 60.65 57.72 1nfa s ILE 47 Cb -0.11 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1nfa s ILE 47 CO 0.52 -0.29 0.04 -0.69 -1.23 0.00 0.00 174.94 173.29 1nfa s VAL 48 N -2.18 -0.07 0.06 2.92 1.01 -0.28 -3.65 120.40 118.21 1nfa s VAL 48 Ca 0.36 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 1nfa s VAL 48 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.19 1nfa s VAL 48 CO 0.26 0.13 0.19 -1.58 0.00 0.00 0.00 175.10 174.10 1nfa s GLN 49 N 1.57 0.76 -0.09 2.72 0.74 -1.24 -1.31 119.66 122.80 1nfa s GLN 49 Ca -0.03 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.61 1nfa s GLN 49 Cb -0.13 0.31 -0.02 0.00 1.10 0.00 0.00 33.01 34.27 1nfa s GLN 49 CO -0.03 -0.23 -0.15 -1.17 -0.55 0.00 0.00 175.29 173.17 1nfa s LEU 50 N -2.44 2.67 -0.41 3.68 0.20 -1.26 -3.77 118.68 117.34 1nfa s LEU 50 Ca -0.00 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.57 1nfa s LEU 50 Cb 0.02 -1.57 0.18 0.00 -0.43 0.00 0.00 46.19 44.39 1nfa s LEU 50 CO -0.07 0.25 0.37 0.00 -0.29 0.00 0.00 176.35 176.61 1nfa n HIS 51 N 2.96 -0.98 0.00 5.38 1.44 -0.72 -4.88 115.22 118.41 1nfa n HIS 51 Ca -0.18 -3.27 0.00 0.00 -2.01 0.00 0.00 57.72 52.27 1nfa n HIS 51 Cb 0.52 0.25 0.00 0.00 0.12 0.00 0.00 29.99 30.88 1nfa n HIS 51 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nfa n GLY 52 N 2.71 -1.86 0.00 -1.39 0.00 -1.26 -3.61 105.19 99.78 1nfa n GLY 52 Ca 0.29 0.90 0.00 0.00 0.00 0.00 0.00 46.02 47.20 1nfa n GLY 52 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nfa n TYR 53 N 0.00 0.00 -1.18 1.61 4.19 -1.26 -3.70 117.16 116.82 1nfa n TYR 53 Ca 0.00 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.17 1nfa n TYR 53 Cb 0.00 0.00 0.25 0.00 0.49 0.00 0.00 39.34 40.08 1nfa n TYR 53 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 1nfa n LEU 54 N 0.00 5.00 -4.84 2.98 -0.00 -1.26 -4.35 117.00 114.53 1nfa n LEU 54 Ca 0.00 -3.39 -0.35 0.00 -0.00 0.00 0.00 56.01 52.27 1nfa n LEU 54 Cb 0.00 -0.67 -0.06 0.00 -0.00 0.00 0.00 43.42 42.69 1nfa n LEU 54 CO 0.00 0.94 0.25 -0.70 -0.00 0.00 0.00 177.39 177.88 1nfa s GLU 55 N -3.07 3.99 -0.26 1.47 2.56 -1.26 -4.96 118.70 117.17 1nfa s GLU 55 Ca 0.49 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.97 1nfa s GLU 55 Cb 0.41 -2.91 0.24 0.00 2.00 0.00 0.00 34.13 33.87 1nfa s GLU 55 CO 0.08 0.46 1.77 0.27 -0.56 0.00 0.00 175.26 177.28 1nfa n ASN 56 N 0.75 5.16 -4.57 -1.70 0.23 -1.26 -4.56 115.26 109.32 1nfa n ASN 56 Ca -0.05 -2.91 -0.31 0.00 -0.53 0.00 0.00 54.58 50.79 1nfa n ASN 56 Cb 0.52 -0.90 -0.10 0.00 -2.08 0.00 0.00 39.78 37.22 1nfa n ASN 56 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1nfa s GLU 57 N -1.63 2.24 0.27 -3.83 -1.05 -1.26 -5.10 118.70 108.35 1nfa s GLU 57 Ca 0.28 -0.93 -0.29 0.00 -0.15 0.00 0.00 54.97 53.88 1nfa s GLU 57 Cb 0.22 -2.35 -0.09 0.00 -0.44 0.00 0.00 34.13 31.47 1nfa s GLU 57 CO 0.02 0.54 0.99 -1.25 0.95 0.00 0.00 175.26 176.51 1nfa s PRO 58 N -1.88 4.71 0.33 -4.83 0.04 -1.26 -4.76 135.00 127.35 1nfa s PRO 58 Ca 0.19 1.55 0.10 0.00 0.04 0.00 0.00 61.00 62.89 1nfa s PRO 58 Cb -0.11 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 1nfa s PRO 58 CO 0.11 0.35 -0.12 -0.51 0.04 0.00 0.00 177.00 176.87 1nfa s LEU 59 N -1.48 2.70 -0.38 -3.56 1.43 -0.55 -4.99 118.68 111.84 1nfa s LEU 59 Ca 0.44 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1nfa s LEU 59 Cb -0.26 -1.02 0.10 0.00 0.03 0.00 0.00 46.19 45.04 1nfa s LEU 59 CO 0.33 -0.15 0.13 0.00 0.23 0.00 0.00 176.35 176.89 1nfa s MET 60 N -3.59 1.78 0.11 1.70 0.23 -1.26 -0.95 119.30 117.32 1nfa s MET 60 Ca 0.32 -1.84 -0.31 0.00 -1.03 0.00 0.00 55.69 52.83 1nfa s MET 60 Cb 0.01 -3.41 -0.09 0.00 -1.53 0.00 0.00 34.83 29.81 1nfa s MET 60 CO 0.16 -1.01 1.56 -1.17 -2.03 0.00 0.00 175.02 172.53 1nfa s LEU 61 N 1.04 4.36 -0.85 0.18 0.20 -0.43 -4.08 118.68 119.10 1nfa s LEU 61 Ca 0.09 2.49 -0.19 0.00 0.69 0.00 0.00 54.13 57.21 1nfa s LEU 61 Cb -0.21 -3.58 0.13 0.00 -0.43 0.00 0.00 46.19 42.10 1nfa s LEU 61 CO -0.06 -0.81 1.01 -1.10 -0.29 0.00 0.00 176.35 175.11 1nfa s GLN 62 N 1.75 3.48 -0.11 1.98 -0.21 -0.38 -2.65 119.66 123.51 1nfa s GLN 62 Ca 0.70 -1.71 -0.08 0.00 0.02 0.00 0.00 55.36 54.30 1nfa s GLN 62 Cb -0.40 -4.70 -0.04 0.00 1.00 0.00 0.00 33.01 28.86 1nfa s GLN 62 CO 0.31 -1.69 0.16 -1.17 -2.12 0.00 0.00 175.29 170.78 1nfa s LEU 63 N 2.50 4.39 0.18 2.90 2.96 -1.07 -3.05 118.68 127.49 1nfa s LEU 63 Ca 0.27 0.50 -0.24 0.00 -0.22 0.00 0.00 54.13 54.44 1nfa s LEU 63 Cb -0.09 -2.10 0.05 0.00 0.50 0.00 0.00 46.19 44.55 1nfa s LEU 63 CO -0.06 0.40 0.84 0.12 -1.32 0.00 0.00 176.35 176.34 1nfa s PHE 64 N -1.01 -0.20 -0.13 5.38 5.36 -1.13 -1.68 117.98 124.57 1nfa s PHE 64 Ca 0.15 -0.14 -0.01 0.00 -0.96 0.00 0.00 56.93 55.97 1nfa s PHE 64 Cb -0.12 0.65 0.04 0.00 -0.34 0.00 0.00 43.02 43.24 1nfa s PHE 64 CO 0.04 -0.95 -0.02 -1.50 -1.46 0.00 0.00 175.22 171.33 1nfa s ILE 65 N -3.53 0.72 0.09 3.12 -1.16 -1.26 -1.20 121.20 117.98 1nfa s ILE 65 Ca 0.10 -0.29 0.05 0.00 -0.51 0.00 0.00 60.65 60.00 1nfa s ILE 65 Cb -0.03 -0.93 -0.03 0.00 0.61 0.00 0.00 42.46 42.08 1nfa s ILE 65 CO 0.02 0.15 -0.13 -0.83 -2.81 0.00 0.00 174.94 171.34 1nfa s GLY 66 N 1.81 0.91 0.65 1.50 0.00 -1.02 -4.01 107.32 107.17 1nfa s GLY 66 Ca 0.03 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 1nfa s GLY 66 CO -0.07 -1.17 1.06 -0.51 0.00 0.00 0.00 173.10 172.41 1nfa s THR 67 N -1.80 3.84 -0.30 0.90 -4.23 -1.16 -1.16 115.64 111.73 1nfa s THR 67 Ca 0.03 0.73 -0.11 0.00 -1.18 0.00 0.00 61.69 61.16 1nfa s THR 67 Cb -0.07 -3.34 0.17 0.00 1.34 0.00 0.00 72.50 70.61 1nfa s THR 67 CO 0.02 -0.65 0.92 0.00 -0.54 0.00 0.00 174.62 174.37 1nfa s ALA 68 N -2.74 -2.91 -2.03 3.99 0.00 -1.24 -3.39 121.76 113.44 1nfa s ALA 68 Ca 0.61 1.75 0.17 0.00 0.00 0.00 0.00 51.96 54.49 1nfa s ALA 68 Cb -0.15 -2.26 0.48 0.00 0.00 0.00 0.00 23.12 21.19 1nfa s ALA 68 CO 0.46 -1.25 1.40 -0.25 0.00 0.00 0.00 175.76 176.12 1nfa n ASP 69 N 5.30 2.84 0.06 0.00 9.92 -1.26 -4.70 116.55 128.72 1nfa n ASP 69 Ca -0.07 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.21 1nfa n ASP 69 Cb 0.53 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1nfa n ASP 69 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1nfa n ASP 70 N 1.06 -1.12 0.00 -2.24 2.03 -1.26 -5.04 116.55 109.99 1nfa n ASP 70 Ca 0.18 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1nfa n ASP 70 Cb 0.45 1.28 0.00 0.00 -0.72 0.00 0.00 41.12 42.14 1nfa n ASP 70 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1nfa n ARG 71 N -2.72 0.00 -1.54 -0.67 3.00 -1.26 -5.06 116.66 108.40 1nfa n ARG 71 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 1nfa n ARG 71 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 1nfa n ARG 71 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1nfa n LEU 72 N -0.34 1.03 -4.47 6.15 -0.00 -1.26 -4.88 117.00 113.23 1nfa n LEU 72 Ca 0.00 -1.03 -0.31 0.00 -0.00 0.00 0.00 56.01 54.67 1nfa n LEU 72 Cb 0.00 -1.35 0.19 0.00 -0.00 0.00 0.00 43.42 42.26 1nfa n LEU 72 CO 0.00 -2.10 0.19 0.00 -0.00 0.00 0.00 177.39 175.49 1nfa n LEU 73 N 14.80 -0.14 -3.66 1.47 -0.00 -1.26 -4.65 117.00 123.55 1nfa n LEU 73 Ca 0.52 0.10 0.01 0.00 -0.00 0.00 0.00 56.01 56.64 1nfa n LEU 73 Cb 0.36 -1.24 -0.00 0.00 -0.00 0.00 0.00 43.42 42.53 1nfa n LEU 73 CO 0.72 -3.04 1.05 -0.13 -0.00 0.00 0.00 177.39 175.99 1nfa s ARG 74 N -4.09 0.44 0.18 1.47 0.52 -1.22 -4.98 118.95 111.28 1nfa s ARG 74 Ca 0.63 -0.25 -0.30 0.00 -0.52 0.00 0.00 55.73 55.29 1nfa s ARG 74 Cb -0.21 0.15 -0.08 0.00 0.52 0.00 0.00 34.95 35.33 1nfa s ARG 74 CO 0.64 -0.20 1.04 -1.25 0.02 0.00 0.00 175.30 175.55 1nfa s PRO 75 N -2.43 4.67 0.57 3.54 0.04 -1.26 -2.97 135.00 137.16 1nfa s PRO 75 Ca 0.15 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 1nfa s PRO 75 Cb 0.04 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1nfa s PRO 75 CO -0.03 0.20 1.30 1.58 0.04 0.00 0.00 177.00 180.09 1nfa n HIS 76 N 2.20 2.07 0.00 0.56 -0.00 -1.26 -4.50 115.22 114.29 1nfa n HIS 76 Ca 0.01 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.63 1nfa n HIS 76 Cb 0.47 -2.32 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 1nfa n HIS 76 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nfa n ALA 77 N -1.28 -0.03 -2.18 1.57 0.00 -1.26 -4.38 120.51 112.95 1nfa n ALA 77 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.57 1nfa n ALA 77 Cb 0.45 0.21 0.01 0.00 0.00 0.00 0.00 19.45 20.12 1nfa n ALA 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nfa n PHE 78 N -1.24 0.00 -2.50 0.00 3.72 -1.26 -5.03 117.46 111.14 1nfa n PHE 78 Ca 0.00 -0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 1nfa n PHE 78 Cb 0.00 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.44 1nfa n PHE 78 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1nfa s TYR 79 N 0.00 2.52 -0.62 1.38 1.51 -1.23 -3.57 117.35 117.34 1nfa s TYR 79 Ca 0.12 0.51 0.04 0.00 -1.01 0.00 0.00 57.07 56.73 1nfa s TYR 79 Cb 0.14 -4.45 0.15 0.00 -0.11 0.00 0.00 41.96 37.70 1nfa s TYR 79 CO -0.06 -1.70 0.39 -1.14 -1.11 0.00 0.00 175.55 171.93 1nfa s GLN 80 N 5.03 2.26 0.27 -0.62 0.74 -0.60 -4.81 119.66 121.93 1nfa s GLN 80 Ca 0.49 -2.98 -0.29 0.00 0.05 0.00 0.00 55.36 52.63 1nfa s GLN 80 Cb -0.09 -3.40 -0.10 0.00 1.10 0.00 0.00 33.01 30.52 1nfa s GLN 80 CO 0.27 -1.20 1.25 0.14 -0.55 0.00 0.00 175.29 175.21 1nfa s VAL 81 N -0.85 3.08 -0.33 1.34 -7.23 -1.26 -4.48 120.40 110.67 1nfa s VAL 81 Ca 0.21 1.02 -0.08 0.00 -1.81 0.00 0.00 61.98 61.31 1nfa s VAL 81 Cb -0.15 -3.65 0.20 0.00 0.56 0.00 0.00 36.38 33.34 1nfa s VAL 81 CO -0.08 0.21 1.07 -2.28 -0.31 0.00 0.00 175.10 173.72 1nfa s HIS 82 N -0.73 -0.34 -0.46 2.82 5.04 -1.26 -5.04 115.29 115.31 1nfa s HIS 82 Ca 0.50 -0.02 0.05 0.00 -1.54 0.00 0.00 55.06 54.05 1nfa s HIS 82 Cb -0.37 0.06 0.18 0.00 0.04 0.00 0.00 32.58 32.50 1nfa s HIS 82 CO 0.45 -0.25 0.53 1.03 -2.34 0.00 0.00 174.74 174.16 1nfa s ARG 83 N 1.52 0.96 0.06 2.88 1.81 -1.25 -4.99 118.95 119.94 1nfa s ARG 83 Ca 0.19 -1.50 0.04 0.00 -1.72 0.00 0.00 55.73 52.74 1nfa s ARG 83 Cb 0.08 -0.70 -0.04 0.00 -0.45 0.00 0.00 34.95 33.84 1nfa s ARG 83 CO -0.13 -1.34 -0.02 0.42 -0.68 0.00 0.00 175.30 173.55 1nfa s ILE 84 N 0.58 3.92 0.43 1.52 1.09 -1.26 -4.38 121.20 123.10 1nfa s ILE 84 Ca 0.30 -0.90 0.08 0.00 -1.10 0.00 0.00 60.65 59.03 1nfa s ILE 84 Cb 0.00 -2.81 0.01 0.00 -1.06 0.00 0.00 42.46 38.60 1nfa s ILE 84 CO -0.11 0.22 0.58 0.42 -0.10 0.00 0.00 174.94 175.95 1nfa s THR 85 N -1.20 2.97 0.30 2.92 -4.23 -1.26 -4.97 115.64 110.18 1nfa s THR 85 Ca 0.23 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 1nfa s THR 85 Cb -0.11 -2.98 0.39 0.00 1.34 0.00 0.00 72.50 71.13 1nfa s THR 85 CO 0.14 0.00 1.58 1.23 -0.54 0.00 0.00 174.62 177.04 1nfa h GLY 86 N 0.61 1.26 -7.42 3.99 0.00 -2.06 -3.07 103.07 96.39 1nfa h GLY 86 Ca -0.40 0.13 -0.47 0.00 0.00 0.00 0.00 47.33 46.59 1nfa h GLY 86 CO 0.45 -0.50 1.36 0.54 0.00 0.00 0.00 176.54 178.40 1nfa s LYS 87 N -5.99 3.13 0.25 4.80 1.02 -1.26 -4.95 119.74 116.73 1nfa s LYS 87 Ca -0.13 -1.14 -0.04 0.00 0.02 0.00 0.00 55.97 54.68 1nfa s LYS 87 Cb 0.28 -5.30 0.06 0.00 -0.52 0.00 0.00 37.83 32.36 1nfa s LYS 87 CO 0.78 -3.00 0.27 0.25 -0.92 0.00 0.00 175.35 172.72 1nfa n THR 88 N 7.27 0.00 -1.47 2.17 -2.24 -1.16 -5.03 114.28 113.81 1nfa n THR 88 Ca 0.42 -0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.74 1nfa n THR 88 Cb 0.48 -1.44 0.20 0.00 -2.10 0.00 0.00 70.33 67.47 1nfa n THR 88 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nfa s VAL 89 N -1.54 1.82 0.06 2.28 0.11 -1.26 -4.97 120.40 116.90 1nfa s VAL 89 Ca 0.16 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.05 1nfa s VAL 89 Cb -0.01 -2.72 -0.20 0.00 -1.53 0.00 0.00 36.38 31.92 1nfa s VAL 89 CO 0.12 0.00 1.22 -1.28 -3.33 0.00 0.00 175.10 171.82 1nfa h SER 90 N -2.04 0.75 -1.47 3.54 0.87 -1.94 -3.45 113.55 109.82 1nfa h SER 90 Ca -0.46 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.42 1nfa h SER 90 Cb 1.28 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1nfa h SER 90 CO 0.41 1.32 0.00 1.07 -0.53 0.00 0.00 176.83 179.10 1nfa n THR 91 N -4.07 0.00 -4.05 2.23 5.66 -1.26 -5.05 114.28 107.74 1nfa n THR 91 Ca -0.09 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.68 1nfa n THR 91 Cb 0.71 -1.29 -0.04 0.00 -1.55 0.00 0.00 70.33 68.17 1nfa n THR 91 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1nfa s THR 92 N -0.90 4.79 0.06 1.09 2.01 -1.26 -5.09 115.64 116.34 1nfa s THR 92 Ca 0.00 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 60.87 1nfa s THR 92 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1nfa s THR 92 CO 0.00 -0.26 -0.05 -0.94 -0.69 0.00 0.00 174.62 172.68 1nfa s SER 93 N -3.65 0.67 -0.25 3.53 1.04 -1.26 -4.04 113.70 109.74 1nfa s SER 93 Ca 0.33 -0.87 -0.08 0.00 0.48 0.00 0.00 55.95 55.81 1nfa s SER 93 Cb -0.09 0.14 0.11 0.00 0.10 0.00 0.00 66.02 66.28 1nfa s SER 93 CO 0.26 -0.47 0.52 -1.00 0.98 0.00 0.00 173.24 173.53 1nfa s HIS 94 N -3.18 -1.08 0.24 5.02 3.76 0.12 -4.93 115.29 115.25 1nfa s HIS 94 Ca 0.03 1.85 -0.26 0.00 -0.15 0.00 0.00 55.06 56.53 1nfa s HIS 94 Cb 0.02 0.52 -0.09 0.00 1.11 0.00 0.00 32.58 34.15 1nfa s HIS 94 CO -0.06 -0.59 0.86 -2.00 -0.85 0.00 0.00 174.74 172.10 1nfa s GLU 95 N 2.75 4.61 -0.10 1.40 -6.30 -1.26 -0.76 118.70 119.04 1nfa s GLU 95 Ca -0.02 1.26 -0.00 0.00 -2.50 0.00 0.00 54.97 53.71 1nfa s GLU 95 Cb -0.12 -3.08 0.02 0.00 0.00 0.00 0.00 34.13 30.95 1nfa s GLU 95 CO -0.16 0.45 -0.06 0.00 0.02 0.00 0.00 175.26 175.50 1nfa s ALA 96 N -1.35 1.20 0.04 6.30 0.00 -1.16 -4.86 121.76 121.94 1nfa s ALA 96 Ca 0.42 -0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.01 1nfa s ALA 96 Cb -0.22 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1nfa s ALA 96 CO 0.26 -0.39 -0.20 -1.50 0.00 0.00 0.00 175.76 173.93 1nfa s ILE 97 N 1.69 2.62 -0.34 0.00 1.10 -1.26 -1.23 121.20 123.78 1nfa s ILE 97 Ca 0.04 -1.25 0.16 0.00 -0.51 0.00 0.00 60.65 59.09 1nfa s ILE 97 Cb -0.13 -2.08 0.45 0.00 0.15 0.00 0.00 42.46 40.86 1nfa s ILE 97 CO -0.07 0.34 0.99 0.00 -2.11 0.00 0.00 174.94 174.09 1nfa n LEU 98 N 1.60 2.12 -1.18 8.50 -0.00 -1.08 -5.01 117.00 121.95 1nfa n LEU 98 Ca -0.16 -3.98 0.00 0.00 -0.00 0.00 0.00 56.01 51.86 1nfa n LEU 98 Cb 0.52 0.25 0.00 0.00 -0.00 0.00 0.00 43.42 44.19 1nfa n LEU 98 CO 0.26 1.67 -0.14 -0.24 -0.00 0.00 0.00 177.39 178.94 1nfa n SER 99 N -0.17 -4.13 -3.52 1.45 2.88 -1.26 -4.47 113.62 104.40 1nfa n SER 99 Ca 0.15 0.47 -0.24 0.00 -1.33 0.00 0.00 58.87 57.93 1nfa n SER 99 Cb 0.79 -2.21 -0.03 0.00 -0.75 0.00 0.00 64.21 62.01 1nfa n SER 99 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1nfa n ASN 100 N 0.55 -2.39 -3.37 -3.46 6.94 -1.26 -4.88 115.26 107.39 1nfa n ASN 100 Ca 0.00 -0.43 -0.12 0.00 -0.02 0.00 0.00 54.58 54.01 1nfa n ASN 100 Cb 0.00 -2.05 -0.08 0.00 -2.36 0.00 0.00 39.78 35.29 1nfa n ASN 100 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1nfa s THR 101 N -2.79 -0.53 -0.52 5.53 2.01 -1.26 -5.00 115.64 113.08 1nfa s THR 101 Ca 0.44 -0.23 -0.22 0.00 0.31 0.00 0.00 61.69 61.99 1nfa s THR 101 Cb -0.25 -0.88 0.05 0.00 0.01 0.00 0.00 72.50 71.43 1nfa s THR 101 CO 0.54 -0.25 0.77 -0.75 -0.69 0.00 0.00 174.62 174.23 1nfa s LYS 102 N 2.48 3.24 0.45 4.92 2.47 -1.26 -2.62 119.74 129.41 1nfa s LYS 102 Ca 0.10 -0.54 0.07 0.00 -1.56 0.00 0.00 55.97 54.05 1nfa s LYS 102 Cb -0.14 -4.06 -0.02 0.00 -1.46 0.00 0.00 37.83 32.15 1nfa s LYS 102 CO -0.23 -1.31 0.32 0.08 0.16 0.00 0.00 175.35 174.37 1nfa s VAL 103 N 3.25 2.31 -0.02 4.02 1.01 -0.36 -4.70 120.40 125.89 1nfa s VAL 103 Ca 0.23 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 60.76 1nfa s VAL 103 Cb -0.16 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1nfa s VAL 103 CO 0.16 0.00 -0.15 -0.76 0.00 0.00 0.00 175.10 174.35 1nfa s LEU 104 N -4.09 1.95 -0.17 3.92 1.02 -0.68 -2.97 118.68 117.65 1nfa s LEU 104 Ca 0.43 -0.29 -0.02 0.00 0.02 0.00 0.00 54.13 54.27 1nfa s LEU 104 Cb -0.01 -0.81 0.05 0.00 0.02 0.00 0.00 46.19 45.45 1nfa s LEU 104 CO 0.25 0.15 0.01 -1.61 0.02 0.00 0.00 176.35 175.17 1nfa s GLU 105 N -0.13 0.80 -0.26 1.70 2.02 0.06 -2.60 118.70 120.29 1nfa s GLU 105 Ca 0.01 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.67 1nfa s GLU 105 Cb -0.08 -1.89 0.07 0.00 0.10 0.00 0.00 34.13 32.33 1nfa s GLU 105 CO 0.00 -0.54 -0.05 0.42 0.02 0.00 0.00 175.26 175.12 1nfa s ILE 106 N 1.83 1.83 -0.07 -1.63 1.01 -1.09 0.15 121.20 123.23 1nfa s ILE 106 Ca 0.00 -1.55 -0.30 0.00 0.00 0.00 0.00 60.65 58.80 1nfa s ILE 106 Cb -0.16 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1nfa s ILE 106 CO -0.07 -0.19 1.13 -2.16 0.00 0.00 0.00 174.94 173.65 1nfa s PRO 107 N 1.23 4.38 0.06 2.79 0.04 -1.26 -1.31 135.00 140.93 1nfa s PRO 107 Ca -0.03 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.62 1nfa s PRO 107 Cb -0.19 -3.55 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 1nfa s PRO 107 CO -0.07 -0.40 -0.10 -0.51 0.04 0.00 0.00 177.00 175.96 1nfa s LEU 108 N 2.14 2.31 -0.47 -3.56 1.43 -0.13 -4.12 118.68 116.27 1nfa s LEU 108 Ca 0.53 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1nfa s LEU 108 Cb -0.23 -0.27 0.13 0.00 0.03 0.00 0.00 46.19 45.85 1nfa s LEU 108 CO 0.21 -0.20 0.23 -1.48 0.23 0.00 0.00 176.35 175.33 1nfa s LEU 109 N -1.87 3.78 -1.32 1.79 0.05 -1.26 -1.49 118.68 118.36 1nfa s LEU 109 Ca -0.04 -2.77 -0.16 0.00 0.05 0.00 0.00 54.13 51.22 1nfa s LEU 109 Cb -0.08 -1.43 0.00 0.00 -2.05 0.00 0.00 46.19 42.64 1nfa s LEU 109 CO 0.00 -0.26 2.15 -0.81 -0.55 0.00 0.00 176.35 176.88 1nfa n PRO 110 N 3.41 2.59 -0.00 1.48 -0.04 -1.26 -4.40 135.00 136.78 1nfa n PRO 110 Ca 0.06 -2.48 0.01 0.00 -0.04 0.00 0.00 63.50 61.05 1nfa n PRO 110 Cb 0.34 -3.23 0.01 0.00 -0.04 0.00 0.00 33.50 30.58 1nfa n PRO 110 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1nfa n GLU 111 N 6.39 -0.49 0.08 0.54 4.07 -1.26 -4.47 120.64 125.49 1nfa n GLU 111 Ca 0.51 -0.67 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 1nfa n GLU 111 Cb 0.40 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.74 1nfa n GLU 111 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1nfa n ASN 112 N 0.07 -0.47 0.00 4.31 6.94 -1.26 -4.95 115.26 119.90 1nfa n ASN 112 Ca 0.01 0.29 0.00 0.00 -0.02 0.00 0.00 54.58 54.86 1nfa n ASN 112 Cb 0.06 0.58 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 1nfa n ASN 112 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1nfa n SER 113 N -2.99 0.00 -3.56 0.53 7.64 -1.26 -5.16 113.62 108.82 1nfa n SER 113 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1nfa n SER 113 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1nfa n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nfa s MET 114 N 0.00 0.39 0.03 1.43 0.23 -1.26 -5.14 119.30 114.98 1nfa s MET 114 Ca 0.00 1.02 -0.21 0.00 -1.03 0.00 0.00 55.69 55.48 1nfa s MET 114 Cb 0.00 0.31 -0.06 0.00 -1.53 0.00 0.00 34.83 33.55 1nfa s MET 114 CO 0.00 -0.34 0.62 0.50 -2.03 0.00 0.00 175.02 173.76 1nfa s ARG 115 N 2.67 4.32 -0.29 3.16 3.52 -1.26 -4.62 118.95 126.45 1nfa s ARG 115 Ca 0.02 0.79 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 1nfa s ARG 115 Cb -0.13 -3.31 0.06 0.00 -1.56 0.00 0.00 34.95 30.01 1nfa s ARG 115 CO -0.15 0.44 -0.03 0.00 -0.81 0.00 0.00 175.30 174.75 1nfa s ALA 116 N -0.46 2.74 0.32 6.12 0.00 -0.43 -4.80 121.76 125.24 1nfa s ALA 116 Ca 0.31 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1nfa s ALA 116 Cb -0.19 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 1nfa s ALA 116 CO 0.19 -1.29 0.51 0.14 0.00 0.00 0.00 175.76 175.31 1nfa s VAL 117 N 1.17 5.13 -0.27 0.00 -7.23 -1.26 -1.13 120.40 116.81 1nfa s VAL 117 Ca -0.05 -0.51 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 1nfa s VAL 117 Cb -0.20 -3.85 0.13 0.00 0.56 0.00 0.00 36.38 33.02 1nfa s VAL 117 CO -0.03 -0.49 0.28 -0.63 -0.31 0.00 0.00 175.10 173.92 1nfa s ILE 118 N -2.23 -0.40 -0.33 -0.62 1.01 -1.25 -4.93 121.20 112.45 1nfa s ILE 118 Ca 0.39 -0.39 0.16 0.00 0.00 0.00 0.00 60.65 60.81 1nfa s ILE 118 Cb -0.10 -0.92 0.44 0.00 0.01 0.00 0.00 42.46 41.90 1nfa s ILE 118 CO 0.34 -0.40 1.15 -0.90 0.00 0.00 0.00 174.94 175.13 1nfa n ASP 119 N 5.32 0.24 -2.84 3.58 5.75 -1.26 -4.37 116.55 122.96 1nfa n ASP 119 Ca -0.03 -2.48 -0.12 0.00 -0.01 0.00 0.00 54.79 52.16 1nfa n ASP 119 Cb 0.47 0.03 0.03 0.00 -1.03 0.00 0.00 41.12 40.62 1nfa n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nfa s ALA 121 N -2.06 0.16 0.82 0.00 0.00 -1.26 -3.86 121.76 115.56 1nfa s ALA 121 Ca 0.30 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1nfa s ALA 121 Cb 0.40 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1nfa s ALA 121 CO -0.03 -2.11 0.00 0.41 0.00 0.00 0.00 175.76 174.03 1nfa n GLY 122 N 3.79 -2.99 3.55 0.00 0.00 -1.26 -4.79 105.19 103.50 1nfa n GLY 122 Ca 0.16 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 1nfa n GLY 122 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nfa s ILE 123 N -0.52 3.17 -0.41 -0.61 -4.36 -1.26 -4.55 121.20 112.66 1nfa s ILE 123 Ca 0.00 -1.48 0.04 0.00 -0.26 0.00 0.00 60.65 58.95 1nfa s ILE 123 Cb 0.00 -2.51 0.17 0.00 1.25 0.00 0.00 42.46 41.36 1nfa s ILE 123 CO 0.00 0.02 0.37 -0.22 0.24 0.00 0.00 174.94 175.35 1nfa s LEU 124 N -2.45 0.81 -0.86 0.37 2.96 -1.26 -4.96 118.68 113.28 1nfa s LEU 124 Ca 0.22 -2.61 0.01 0.00 -0.22 0.00 0.00 54.13 51.53 1nfa s LEU 124 Cb -0.10 -0.02 0.30 0.00 0.50 0.00 0.00 46.19 46.87 1nfa s LEU 124 CO 0.13 -0.18 1.29 2.29 -1.32 0.00 0.00 176.35 178.56 1nfa n LYS 125 N 3.18 4.01 -3.13 1.98 2.85 -1.23 -1.56 118.16 124.26 1nfa n LYS 125 Ca 0.24 -4.68 -0.19 0.00 -1.05 0.00 0.00 58.31 52.63 1nfa n LYS 125 Cb 0.47 -2.39 -0.05 0.00 -0.65 0.00 0.00 35.03 32.41 1nfa n LYS 125 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1nfa n LEU 126 N 0.56 -1.16 0.00 -5.58 7.99 -1.25 -4.83 117.00 112.74 1nfa n LEU 126 Ca 0.33 -4.06 0.00 0.00 -0.01 0.00 0.00 56.01 52.27 1nfa n LEU 126 Cb 0.34 0.65 0.00 0.00 -0.11 0.00 0.00 43.42 44.31 1nfa n LEU 126 CO 0.53 1.96 0.00 -1.14 -1.51 0.00 0.00 177.39 177.22 1nfa n ARG 127 N 2.26 0.00 0.02 3.23 3.00 -1.26 -5.11 116.66 118.80 1nfa n ARG 127 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 1nfa n ARG 127 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1nfa n ARG 127 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1nfa n ASN 128 N 0.00 -0.25 0.00 6.15 0.23 -1.26 -5.05 115.26 115.08 1nfa n ASN 128 Ca 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1nfa n ASN 128 Cb 0.00 0.54 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1nfa n ASN 128 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1nfa n SER 129 N -2.58 0.00 0.00 0.53 7.64 -1.26 -3.46 113.62 114.49 1nfa n SER 129 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1nfa n SER 129 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1nfa n SER 129 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nfa n ASP 130 N 2.68 0.00 -4.65 6.43 5.75 -1.26 -5.06 116.55 120.44 1nfa n ASP 130 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 1nfa n ASP 130 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1nfa n ASP 130 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1nfa s ILE 131 N 0.00 4.13 0.36 2.12 -1.16 -1.22 -4.97 121.20 120.45 1nfa s ILE 131 Ca 0.00 1.32 -0.28 0.00 -0.51 0.00 0.00 60.65 61.18 1nfa s ILE 131 Cb 0.00 -3.99 -0.10 0.00 0.61 0.00 0.00 42.46 38.98 1nfa s ILE 131 CO 0.00 -0.27 1.36 -0.70 -2.81 0.00 0.00 174.94 172.52 1nfa s GLU 132 N 3.90 4.20 0.14 3.50 2.12 -1.26 -5.02 118.70 126.29 1nfa s GLU 132 Ca 0.58 2.31 0.08 0.00 0.36 0.00 0.00 54.97 58.30 1nfa s GLU 132 Cb -0.21 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1nfa s GLU 132 CO 0.20 -0.35 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.22 1nfa s LEU 133 N -2.01 2.39 0.00 2.70 2.96 -1.26 -4.98 118.68 118.48 1nfa s LEU 133 Ca 0.52 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1nfa s LEU 133 Cb -0.41 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.47 1nfa s LEU 133 CO 0.55 -0.02 0.00 -2.11 -1.32 0.00 0.00 176.35 173.45 1nfa n ARG 134 N 0.55 0.00 -4.44 1.98 1.85 -1.26 -5.13 116.66 110.21 1nfa n ARG 134 Ca -0.15 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.35 1nfa n ARG 134 Cb 0.56 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.87 1nfa n ARG 134 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1nfa s LYS 135 N -0.87 2.99 0.02 2.89 -0.14 -1.26 -5.11 119.74 118.26 1nfa s LYS 135 Ca 0.00 -0.45 -0.06 0.00 -1.36 0.00 0.00 55.97 54.09 1nfa s LYS 135 Cb 0.00 -2.75 -0.01 0.00 -1.68 0.00 0.00 37.83 33.39 1nfa s LYS 135 CO 0.00 0.65 0.11 0.20 -0.76 0.00 0.00 175.35 175.55 1nfa s GLY 136 N -0.74 0.12 0.02 -3.33 0.00 -1.26 -5.17 107.32 96.96 1nfa s GLY 136 Ca 0.11 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.46 1nfa s GLY 136 CO 0.02 -0.52 -0.04 1.85 0.00 0.00 0.00 173.10 174.41 1nfa s GLU 137 N -2.10 0.34 -0.40 2.90 2.56 -1.26 -5.07 118.70 115.67 1nfa s GLU 137 Ca -0.09 -0.45 0.10 0.00 0.00 0.00 0.00 54.97 54.53 1nfa s GLU 137 Cb -0.04 -0.15 0.36 0.00 2.00 0.00 0.00 34.13 36.30 1nfa s GLU 137 CO -0.02 0.03 0.96 -2.37 -0.56 0.00 0.00 175.26 173.29 1nfa n THR 138 N 2.13 0.05 0.09 -1.70 5.66 -1.26 -4.73 114.28 114.51 1nfa n THR 138 Ca -0.19 -3.01 -0.06 0.00 -3.05 0.00 0.00 64.05 57.74 1nfa n THR 138 Cb 0.57 0.59 0.09 0.00 -1.55 0.00 0.00 70.33 70.03 1nfa n THR 138 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1nfa h ASP 139 N 2.90 0.24 -0.13 1.09 3.58 -1.97 -3.36 116.42 118.77 1nfa h ASP 139 Ca -0.03 -0.15 -0.19 0.00 0.42 0.00 0.00 57.03 57.08 1nfa h ASP 139 Cb 1.07 -0.07 -0.30 0.00 1.72 0.00 0.00 39.33 41.76 1nfa h ASP 139 CO 0.31 0.84 -0.77 2.30 -2.88 0.00 0.00 179.24 179.04 1nfa n ILE 140 N -3.82 0.38 0.00 2.25 -0.00 -1.26 -5.13 119.36 111.78 1nfa n ILE 140 Ca -0.02 -1.37 0.00 0.00 -0.00 0.00 0.00 62.75 61.35 1nfa n ILE 140 Cb 0.66 0.99 0.00 0.00 -0.00 0.00 0.00 39.64 41.29 1nfa n ILE 140 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1nfa n GLY 141 N -0.32 -1.19 3.76 3.28 0.00 -1.26 -5.00 105.19 104.46 1nfa n GLY 141 Ca -0.05 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.47 1nfa n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nfa s ARG 142 N -0.21 2.45 -0.21 1.61 3.00 -1.26 -4.54 118.95 119.79 1nfa s ARG 142 Ca 0.00 1.38 0.13 0.00 0.00 0.00 0.00 55.73 57.24 1nfa s ARG 142 Cb 0.00 -1.91 0.42 0.00 0.00 0.00 0.00 34.95 33.47 1nfa s ARG 142 CO 0.00 -1.52 1.29 1.17 0.00 0.00 0.00 175.30 176.24 1nfa n LYS 143 N -2.88 1.73 -2.51 3.54 4.81 -1.26 -4.86 118.16 116.73 1nfa n LYS 143 Ca 0.10 -3.04 -0.43 0.00 -0.87 0.00 0.00 58.31 54.07 1nfa n LYS 143 Cb 0.52 -1.67 0.01 0.00 0.02 0.00 0.00 35.03 33.91 1nfa n LYS 143 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1nfa n ASN 144 N -1.13 5.36 -2.68 3.14 2.85 -1.26 -4.47 115.26 117.06 1nfa n ASN 144 Ca 0.22 -3.16 -0.06 0.00 -0.11 0.00 0.00 54.58 51.48 1nfa n ASN 144 Cb 0.79 -1.44 0.12 0.00 1.24 0.00 0.00 39.78 40.49 1nfa n ASN 144 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1nfa n THR 145 N 3.01 0.00 -3.66 -0.44 -2.24 -1.26 -4.31 114.28 105.37 1nfa n THR 145 Ca 0.37 -1.35 -0.08 0.00 -2.27 0.00 0.00 64.05 60.72 1nfa n THR 145 Cb 0.36 0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 69.50 1nfa n THR 145 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1nfa s ARG 146 N 0.18 0.54 0.11 -0.78 3.00 -1.26 -2.81 118.95 117.93 1nfa s ARG 146 Ca 0.18 1.07 0.01 0.00 -1.00 0.00 0.00 55.73 56.00 1nfa s ARG 146 Cb 0.40 0.17 -0.04 0.00 0.00 0.00 0.00 34.95 35.48 1nfa s ARG 146 CO -0.10 -0.17 -0.04 0.14 0.00 0.00 0.00 175.30 175.13 1nfa s VAL 147 N 1.77 0.62 -0.10 7.11 -7.23 -1.23 -3.61 120.40 117.74 1nfa s VAL 147 Ca -0.09 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1nfa s VAL 147 Cb -0.08 -1.79 0.05 0.00 0.56 0.00 0.00 36.38 35.12 1nfa s VAL 147 CO -0.17 -0.77 0.21 -0.13 -0.31 0.00 0.00 175.10 173.93 1nfa s ARG 148 N -3.87 0.13 -0.37 4.82 0.52 -0.31 -3.95 118.95 115.92 1nfa s ARG 148 Ca 0.15 0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 55.60 1nfa s ARG 148 Cb 0.06 -0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.40 1nfa s ARG 148 CO -0.03 -0.21 1.10 -0.51 0.02 0.00 0.00 175.30 175.67 1nfa s LEU 149 N 1.63 3.84 -0.19 2.53 2.01 -1.26 -2.42 118.68 124.82 1nfa s LEU 149 Ca -0.05 0.89 -0.24 0.00 0.01 0.00 0.00 54.13 54.74 1nfa s LEU 149 Cb -0.11 -3.55 -0.02 0.00 0.01 0.00 0.00 46.19 42.53 1nfa s LEU 149 CO -0.07 -1.00 0.77 -0.69 1.01 0.00 0.00 176.35 176.37 1nfa s VAL 150 N 3.91 4.91 -0.42 -1.59 1.01 -0.34 -3.18 120.40 124.71 1nfa s VAL 150 Ca 0.47 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.97 1nfa s VAL 150 Cb -0.11 -4.08 0.11 0.00 0.00 0.00 0.00 36.38 32.31 1nfa s VAL 150 CO 0.20 0.03 0.14 -0.36 0.00 0.00 0.00 175.10 175.12 1nfa s PHE 151 N 2.24 3.52 -0.04 5.22 0.08 -0.93 -2.82 117.98 125.25 1nfa s PHE 151 Ca 0.35 -3.06 0.01 0.00 0.12 0.00 0.00 56.93 54.34 1nfa s PHE 151 Cb -0.16 -2.89 0.02 0.00 -0.57 0.00 0.00 43.02 39.42 1nfa s PHE 151 CO 0.11 -0.86 -0.03 -0.98 -0.10 0.00 0.00 175.22 173.36 1nfa s ARG 152 N 0.40 0.63 -0.17 0.44 1.70 -1.17 -1.46 118.95 119.31 1nfa s ARG 152 Ca 0.13 -0.04 -0.05 0.00 -0.47 0.00 0.00 55.73 55.31 1nfa s ARG 152 Cb -0.22 -0.70 -0.03 0.00 -0.57 0.00 0.00 34.95 33.43 1nfa s ARG 152 CO -0.05 -0.10 -0.01 0.54 -1.08 0.00 0.00 175.30 174.61 1nfa s VAL 153 N 0.93 4.03 -0.25 4.99 0.11 -1.22 -1.25 120.40 127.74 1nfa s VAL 153 Ca -0.11 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1nfa s VAL 153 Cb -0.14 -2.79 0.07 0.00 -1.53 0.00 0.00 36.38 31.99 1nfa s VAL 153 CO -0.00 0.47 -0.05 -1.00 -3.33 0.00 0.00 175.10 171.19 1nfa s HIS 154 N 0.52 2.66 -0.08 1.54 3.76 -1.26 -3.31 115.29 119.12 1nfa s HIS 154 Ca -0.02 -1.99 -0.07 0.00 -0.15 0.00 0.00 55.06 52.84 1nfa s HIS 154 Cb -0.14 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1nfa s HIS 154 CO 0.02 -0.82 0.18 0.54 -0.85 0.00 0.00 174.74 173.81 1nfa s VAL 155 N 1.30 5.44 -0.31 -0.90 0.11 -0.76 -4.62 120.40 120.66 1nfa s VAL 155 Ca -0.04 0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 58.93 1nfa s VAL 155 Cb -0.19 -3.46 0.01 0.00 -1.53 0.00 0.00 36.38 31.21 1nfa s VAL 155 CO -0.07 0.55 1.23 -2.16 -3.33 0.00 0.00 175.10 171.32 1nfa s PRO 156 N -1.22 3.96 0.12 1.54 0.04 -1.26 -4.65 135.00 133.52 1nfa s PRO 156 Ca 0.18 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 62.36 1nfa s PRO 156 Cb -0.13 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 1nfa s PRO 156 CO 0.08 -1.06 0.13 -0.65 0.04 0.00 0.00 177.00 175.54 1nfa s GLN 157 N 4.01 0.92 -0.10 4.56 -1.52 -1.26 -5.07 119.66 121.21 1nfa s GLN 157 Ca 0.53 -1.25 -0.16 0.00 -1.95 0.00 0.00 55.36 52.53 1nfa s GLN 157 Cb -0.15 0.29 -0.13 0.00 -0.22 0.00 0.00 33.01 32.80 1nfa s GLN 157 CO 0.21 -0.28 0.50 -1.00 -0.25 0.00 0.00 175.29 174.47 1nfa h PRO 158 N 2.81 -0.07 -6.20 2.91 0.13 -2.03 -3.46 132.00 126.07 1nfa h PRO 158 Ca -0.34 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.38 1nfa h PRO 158 Cb 1.20 0.02 0.22 0.00 0.13 0.00 0.00 31.00 32.56 1nfa h PRO 158 CO 0.57 0.38 -1.69 0.45 -0.23 0.00 0.00 178.00 177.47 1nfa n SER 159 N -4.77 -2.69 -0.03 1.44 2.88 -1.26 -4.97 113.62 104.22 1nfa n SER 159 Ca -0.06 -0.09 -0.02 0.00 -1.33 0.00 0.00 58.87 57.37 1nfa n SER 159 Cb 0.24 -0.70 -0.01 0.00 -0.75 0.00 0.00 64.21 62.99 1nfa n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nfa n GLY 160 N 2.79 -0.62 3.52 0.46 0.00 -1.26 -4.60 105.19 105.48 1nfa n GLY 160 Ca -0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1nfa n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfa n ARG 161 N -3.15 3.01 0.00 1.61 1.74 -1.26 -4.78 116.66 113.83 1nfa n ARG 161 Ca -0.04 -3.15 0.00 0.00 -0.77 0.00 0.00 57.85 53.90 1nfa n ARG 161 Cb 0.13 -3.50 0.00 0.00 -1.02 0.00 0.00 32.46 28.07 1nfa n ARG 161 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1nfa n THR 162 N 6.43 0.00 -3.78 0.55 5.66 -1.26 -4.94 114.28 116.95 1nfa n THR 162 Ca 0.49 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 61.19 1nfa n THR 162 Cb 0.46 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.09 1nfa n THR 162 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1nfa s LEU 163 N 0.00 2.82 -0.29 1.09 2.96 -1.26 -4.78 118.68 119.22 1nfa s LEU 163 Ca 0.00 -2.07 0.03 0.00 -0.22 0.00 0.00 54.13 51.86 1nfa s LEU 163 Cb 0.00 -1.06 0.20 0.00 0.50 0.00 0.00 46.19 45.83 1nfa s LEU 163 CO 0.00 -0.36 0.68 -0.55 -1.32 0.00 0.00 176.35 174.80 1nfa s SER 164 N 1.05 -1.40 0.26 3.68 0.15 -1.25 -1.82 113.70 114.37 1nfa s SER 164 Ca 0.13 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.97 1nfa s SER 164 Cb -0.20 1.90 -0.05 0.00 -1.71 0.00 0.00 66.02 65.95 1nfa s SER 164 CO -0.14 -0.26 0.10 -1.48 1.20 0.00 0.00 173.24 172.67 1nfa s LEU 165 N 2.86 1.62 0.08 3.45 2.34 -1.21 -5.00 118.68 122.82 1nfa s LEU 165 Ca 0.14 -1.39 0.09 0.00 0.06 0.00 0.00 54.13 53.03 1nfa s LEU 165 Cb -0.09 0.04 -0.03 0.00 -0.56 0.00 0.00 46.19 45.55 1nfa s LEU 165 CO -0.25 -0.74 -0.25 -1.10 -1.06 0.00 0.00 176.35 172.96 1nfa s GLN 166 N -4.04 1.47 -0.42 1.48 -1.52 -1.26 -3.40 119.66 111.98 1nfa s GLN 166 Ca 0.38 -1.17 0.07 0.00 -1.95 0.00 0.00 55.36 52.69 1nfa s GLN 166 Cb 0.08 -1.76 0.24 0.00 -0.22 0.00 0.00 33.01 31.35 1nfa s GLN 166 CO 0.14 0.43 0.61 0.28 -0.25 0.00 0.00 175.29 176.50 1nfa n VAL 167 N 1.38 -0.53 -3.00 1.09 0.31 -0.54 -4.94 118.33 112.10 1nfa n VAL 167 Ca -0.18 -3.30 -0.43 0.00 -0.01 0.00 0.00 64.34 60.42 1nfa n VAL 167 Cb 0.53 -1.01 -0.05 0.00 -0.91 0.00 0.00 33.84 32.39 1nfa n VAL 167 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nfa s ALA 168 N -0.62 3.28 -0.25 3.52 0.00 -1.26 -2.18 121.76 124.26 1nfa s ALA 168 Ca 0.34 -1.28 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 1nfa s ALA 168 Cb 0.18 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.91 1nfa s ALA 168 CO -0.15 -2.06 0.55 -1.54 0.00 0.00 0.00 175.76 172.57 1nfa s SER 169 N 2.45 -0.74 0.00 0.00 1.04 -1.19 -4.97 113.70 110.28 1nfa s SER 169 Ca 0.25 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1nfa s SER 169 Cb -0.14 1.60 0.00 0.00 0.10 0.00 0.00 66.02 67.58 1nfa s SER 169 CO 0.18 -0.22 0.00 -3.20 0.98 0.00 0.00 173.24 170.98 1nfa n ASN 170 N 5.03 0.00 -4.59 7.02 5.15 -1.26 -4.35 115.26 122.26 1nfa n ASN 170 Ca -0.14 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.41 1nfa n ASN 170 Cb 0.52 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.75 1nfa n ASN 170 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1nfa s PRO 171 N 0.00 3.52 0.08 1.20 0.04 -1.26 -4.13 135.00 134.45 1nfa s PRO 171 Ca 0.00 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.62 1nfa s PRO 171 Cb 0.00 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 1nfa s PRO 171 CO 0.00 -1.65 -0.05 0.42 0.04 0.00 0.00 177.00 175.76 1nfa s ILE 172 N 5.26 0.50 -0.09 0.56 1.01 -1.25 -4.47 121.20 122.72 1nfa s ILE 172 Ca 0.52 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 59.33 1nfa s ILE 172 Cb -0.10 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.83 1nfa s ILE 172 CO 0.29 -0.90 -0.08 -1.61 0.00 0.00 0.00 174.94 172.65 1nfa s GLU 173 N -3.74 1.42 0.00 2.79 2.02 -1.26 -3.54 118.70 116.39 1nfa s GLU 173 Ca 0.09 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1nfa s GLU 173 Cb 0.05 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.86 1nfa s GLU 173 CO -0.06 -0.19 0.00 0.00 0.02 0.00 0.00 175.26 175.03 1nfa n SER 175 N -2.79 0.00 -4.51 0.00 3.41 -1.26 -4.72 113.62 103.75 1nfa n SER 175 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1nfa n SER 175 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1nfa n SER 175 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1nfa n GLN 176 N 0.00 0.18 -3.55 4.33 -0.06 -1.24 -4.76 117.38 112.28 1nfa n GLN 176 Ca 0.00 -0.09 -0.09 0.00 -2.00 0.00 0.00 57.00 54.82 1nfa n GLN 176 Cb 0.00 -1.77 -0.04 0.00 -4.06 0.00 0.00 30.24 24.37 1nfa n GLN 176 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 1nfa s ARG 177 N 8.19 0.67 0.00 3.69 3.00 -1.26 -5.03 118.95 128.20 1nfa s ARG 177 Ca 1.26 -0.05 0.24 0.00 -1.00 0.00 0.00 55.73 56.17 1nfa s ARG 177 Cb -0.87 0.31 1.41 0.00 0.00 0.00 0.00 34.95 35.80 1nfa s ARG 177 CO 0.45 -0.25 1.77 0.45 0.00 0.00 0.00 175.30 177.72