#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfa n LYS 2 N 0.00 1.50 0.00 2.12 -0.00 -1.26 -5.12 118.16 115.40 1nfa n LYS 2 Ca 0.00 -2.16 0.00 0.00 -0.00 0.00 0.00 58.31 56.15 1nfa n LYS 2 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 35.03 34.62 1nfa n LYS 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1nfa n ASP 3 N -1.13 0.00 -0.13 -5.58 2.03 -1.26 -5.06 116.55 105.42 1nfa n ASP 3 Ca -0.07 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.97 1nfa n ASP 3 Cb 0.85 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.14 1nfa n ASP 3 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1nfa n TRP 4 N 0.00 0.26 0.00 -0.67 4.27 -1.26 -5.02 117.44 115.02 1nfa n TRP 4 Ca 0.00 0.11 0.00 0.00 -3.89 0.00 0.00 57.50 53.72 1nfa n TRP 4 Cb 0.00 -1.03 0.00 0.00 -1.36 0.00 0.00 31.31 28.92 1nfa n TRP 4 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1nfa n GLN 5 N -4.21 0.00 -4.22 -2.67 1.13 -1.26 -4.98 117.38 101.17 1nfa n GLN 5 Ca -0.49 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.40 1nfa n GLN 5 Cb 0.85 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 31.09 1nfa n GLN 5 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1nfa s LEU 6 N 0.00 2.40 -0.86 1.08 -0.00 -1.26 -5.08 118.68 114.95 1nfa s LEU 6 Ca 0.00 -0.80 -0.25 0.00 -0.00 0.00 0.00 54.13 53.08 1nfa s LEU 6 Cb 0.00 -0.47 0.04 0.00 -0.00 0.00 0.00 46.19 45.76 1nfa s LEU 6 CO 0.00 -0.18 1.37 -2.16 -0.00 0.00 0.00 176.35 175.38 1nfa s PRO 7 N -2.64 3.35 -0.29 1.48 0.04 -1.26 -4.77 135.00 130.90 1nfa s PRO 7 Ca 0.07 -0.61 0.20 0.00 0.04 0.00 0.00 61.00 60.70 1nfa s PRO 7 Cb -0.05 -4.70 0.48 0.00 0.04 0.00 0.00 34.50 30.27 1nfa s PRO 7 CO 0.02 -2.20 1.10 -1.13 0.04 0.00 0.00 177.00 174.83 1nfa n SER 8 N 9.27 1.11 -4.01 6.66 3.41 -1.26 -5.01 113.62 123.78 1nfa n SER 8 Ca 0.17 -2.30 -0.33 0.00 -0.26 0.00 0.00 58.87 56.15 1nfa n SER 8 Cb 0.50 -0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 1nfa n SER 8 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1nfa s HIS 9 N -3.06 3.43 -0.29 7.33 3.76 -1.26 -5.00 115.29 120.20 1nfa s HIS 9 Ca 0.25 -3.03 -0.01 0.00 -0.15 0.00 0.00 55.06 52.13 1nfa s HIS 9 Cb 0.38 -3.00 0.13 0.00 1.11 0.00 0.00 32.58 31.21 1nfa s HIS 9 CO -0.02 -0.74 0.27 0.45 -0.85 0.00 0.00 174.74 173.85 1nfa s SER 10 N -0.14 1.99 -0.19 1.40 0.15 -1.26 -5.13 113.70 110.52 1nfa s SER 10 Ca 0.20 -0.87 -0.24 0.00 0.70 0.00 0.00 55.95 55.73 1nfa s SER 10 Cb -0.18 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.56 1nfa s SER 10 CO -0.06 -0.40 0.65 -0.83 1.20 0.00 0.00 173.24 173.81 1nfa s GLY 11 N 2.29 -0.50 -0.46 9.45 0.00 -1.26 -5.12 107.32 111.72 1nfa s GLY 11 Ca 0.10 1.67 -0.29 0.00 0.00 0.00 0.00 44.72 46.20 1nfa s GLY 11 CO -0.33 1.39 1.20 2.56 0.00 0.00 0.00 173.10 177.92 1nfa s PRO 12 N -0.07 3.70 0.80 2.90 0.04 -1.26 -4.95 135.00 136.16 1nfa s PRO 12 Ca -0.03 0.66 -0.14 0.00 0.04 0.00 0.00 61.00 61.53 1nfa s PRO 12 Cb -0.04 -3.93 0.04 0.00 0.04 0.00 0.00 34.50 30.61 1nfa s PRO 12 CO 0.03 -1.41 0.88 0.66 0.04 0.00 0.00 177.00 177.20 1nfa n TYR 13 N 8.03 0.24 -3.31 0.56 4.01 -1.26 -4.83 117.16 120.59 1nfa n TYR 13 Ca 0.13 0.36 -0.08 0.00 -0.16 0.00 0.00 57.90 58.15 1nfa n TYR 13 Cb 0.49 -2.00 -0.06 0.00 -0.31 0.00 0.00 39.34 37.45 1nfa n TYR 13 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1nfa s GLU 14 N -3.61 0.40 -0.85 -0.72 2.02 -1.13 -4.92 118.70 109.90 1nfa s GLU 14 Ca 0.69 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.95 1nfa s GLU 14 Cb -0.30 -0.32 0.23 0.00 0.10 0.00 0.00 34.13 33.84 1nfa s GLU 14 CO 0.55 -0.92 0.84 -0.11 0.02 0.00 0.00 175.26 175.64 1nfa n LEU 15 N 5.36 4.27 -4.80 1.80 7.94 -1.26 -1.75 117.00 128.56 1nfa n LEU 15 Ca -0.01 -5.22 -0.28 0.00 -1.11 0.00 0.00 56.01 49.39 1nfa n LEU 15 Cb 0.50 -1.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.40 1nfa n LEU 15 CO 0.00 1.70 -0.12 -0.60 -1.11 0.00 0.00 177.39 177.26 1nfa s ARG 16 N -1.80 2.22 0.24 1.96 6.06 -1.26 -4.88 118.95 121.48 1nfa s ARG 16 Ca 0.30 -2.12 -0.17 0.00 -2.50 0.00 0.00 55.73 51.24 1nfa s ARG 16 Cb -0.01 -1.85 -0.08 0.00 0.06 0.00 0.00 34.95 33.08 1nfa s ARG 16 CO -0.08 -0.39 0.69 0.42 -2.50 0.00 0.00 175.30 173.44 1nfa s ILE 17 N -2.77 4.67 -0.07 4.11 1.09 -1.26 -3.82 121.20 123.15 1nfa s ILE 17 Ca 0.25 1.07 -0.05 0.00 -1.10 0.00 0.00 60.65 60.82 1nfa s ILE 17 Cb 0.01 -3.75 -0.03 0.00 -1.06 0.00 0.00 42.46 37.63 1nfa s ILE 17 CO 0.15 0.08 0.22 -0.08 -0.10 0.00 0.00 174.94 175.21 1nfa h GLU 18 N 3.05 -0.17 -5.79 2.79 4.22 -1.86 -3.45 114.58 113.37 1nfa h GLU 18 Ca -0.48 0.01 -0.67 0.00 0.08 0.00 0.00 59.36 58.31 1nfa h GLU 18 Cb 1.19 0.04 -0.20 0.00 0.50 0.00 0.00 28.75 30.28 1nfa h GLU 18 CO 0.66 -0.11 -0.68 0.54 -2.18 0.00 0.00 179.01 177.23 1nfa s VAL 19 N -2.10 3.82 -0.51 0.32 0.11 -1.26 -4.99 120.40 115.78 1nfa s VAL 19 Ca -0.03 -0.41 0.07 0.00 -2.93 0.00 0.00 61.98 58.68 1nfa s VAL 19 Cb 0.00 -2.61 0.29 0.00 -1.53 0.00 0.00 36.38 32.53 1nfa s VAL 19 CO 0.08 0.56 0.73 0.00 -3.33 0.00 0.00 175.10 173.14 1nfa n GLN 20 N 2.73 1.91 -1.22 1.54 1.13 -1.26 -3.66 117.38 118.55 1nfa n GLN 20 Ca -0.18 -4.09 -0.21 0.00 -1.94 0.00 0.00 57.00 50.58 1nfa n GLN 20 Cb 0.53 -1.87 0.16 0.00 0.11 0.00 0.00 30.24 29.16 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 0.66 -1.31 -1.65 -1.09 -0.04 -1.26 -5.00 135.00 125.31 1nfa n PRO 21 Ca 0.27 -1.42 -0.36 0.00 -0.04 0.00 0.00 63.50 61.95 1nfa n PRO 21 Cb 0.48 -1.03 0.07 0.00 -0.04 0.00 0.00 33.50 32.99 1nfa n PRO 21 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1nfa s LYS 22 N -5.01 2.43 -0.43 0.54 -2.85 -1.26 -4.85 119.74 108.31 1nfa s LYS 22 Ca 0.53 1.91 0.05 0.00 -1.00 0.00 0.00 55.97 57.46 1nfa s LYS 22 Cb -0.02 -1.85 0.31 0.00 -2.06 0.00 0.00 37.83 34.21 1nfa s LYS 22 CO 0.38 -1.65 1.15 0.45 0.10 0.00 0.00 175.35 175.79 1nfa n SER 23 N -2.20 -2.17 -4.99 0.03 2.88 -1.26 -2.93 113.62 102.99 1nfa n SER 23 Ca 0.15 -3.24 -0.19 0.00 -1.33 0.00 0.00 58.87 54.25 1nfa n SER 23 Cb 0.49 1.74 -0.00 0.00 -0.75 0.00 0.00 64.21 65.69 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 0.27 3.10 -0.17 0.66 -3.43 -1.20 -4.21 115.29 110.32 1nfa s HIS 24 Ca 0.23 -0.20 -0.05 0.00 -0.80 0.00 0.00 55.06 54.24 1nfa s HIS 24 Cb 0.28 -2.04 0.06 0.00 -1.43 0.00 0.00 32.58 29.45 1nfa s HIS 24 CO -0.10 -0.07 0.08 -1.01 -2.00 0.00 0.00 174.74 171.64 1nfa s HIS 25 N -2.21 0.25 -1.37 0.38 3.76 -1.26 -4.93 115.29 109.91 1nfa s HIS 25 Ca 0.46 -0.33 -0.09 0.00 -0.15 0.00 0.00 55.06 54.95 1nfa s HIS 25 Cb -0.10 -0.71 0.10 0.00 1.11 0.00 0.00 32.58 32.98 1nfa s HIS 25 CO 0.32 -0.51 2.27 2.89 -0.85 0.00 0.00 174.74 178.86 1nfa n ARG 26 N 5.26 3.89 -2.44 1.40 1.85 -1.26 -4.79 116.66 120.57 1nfa n ARG 26 Ca -0.07 -3.19 -0.39 0.00 -1.00 0.00 0.00 57.85 53.21 1nfa n ARG 26 Cb 0.49 -2.85 -0.02 0.00 -1.05 0.00 0.00 32.46 29.03 1nfa n ARG 26 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1nfa s ALA 27 N 0.45 2.78 0.00 2.89 0.00 -1.26 -4.74 121.76 121.89 1nfa s ALA 27 Ca 0.50 -2.54 0.00 0.00 0.00 0.00 0.00 51.96 49.92 1nfa s ALA 27 Cb 0.15 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1nfa s ALA 27 CO -0.05 -3.85 0.00 -2.39 0.00 0.00 0.00 175.76 169.47 1nfa n HIS 28 N 10.05 0.00 0.00 0.00 -0.00 -1.26 -5.10 115.22 118.91 1nfa n HIS 28 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 1nfa n HIS 28 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 1nfa n HIS 28 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.34 178.82 1nfa n TYR 29 N 0.00 0.00 -2.06 -1.40 0.18 -1.26 -5.06 117.16 107.56 1nfa n TYR 29 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 1nfa n TYR 29 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 1nfa n TYR 29 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93 1nfa n GLU 30 N -0.52 0.17 -2.76 -3.48 0.28 -1.26 -4.97 120.64 108.11 1nfa n GLU 30 Ca 0.00 -0.96 -0.03 0.00 -0.16 0.00 0.00 57.16 56.01 1nfa n GLU 30 Cb 0.00 0.49 0.06 0.00 1.43 0.00 0.00 31.44 33.42 1nfa n GLU 30 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1nfa n THR 31 N -0.20 0.90 0.00 3.84 -1.04 -1.26 -4.89 114.28 111.63 1nfa n THR 31 Ca -0.25 -2.55 0.00 0.00 -2.04 0.00 0.00 64.05 59.21 1nfa n THR 31 Cb 0.69 1.07 0.00 0.00 -1.82 0.00 0.00 70.33 70.27 1nfa n THR 31 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1nfa n GLU 32 N -0.60 0.00 0.00 -2.82 0.28 -1.26 -5.15 120.64 111.09 1nfa n GLU 32 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1nfa n GLU 32 Cb 0.82 -0.59 0.00 0.00 1.43 0.00 0.00 31.44 33.10 1nfa n GLU 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nfa n GLY 33 N 2.11 0.45 2.92 -1.84 0.00 -1.26 -5.03 105.19 102.55 1nfa n GLY 33 Ca 0.00 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 1nfa n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nfa s SER 34 N -4.00 2.65 0.00 1.61 0.15 -1.26 -5.00 113.70 107.85 1nfa s SER 34 Ca 0.00 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1nfa s SER 34 Cb 0.00 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 1nfa s SER 34 CO 0.00 -0.14 0.00 -2.11 1.20 0.00 0.00 173.24 172.19 1nfa n ARG 35 N 4.86 0.00 -3.96 5.44 -4.01 -1.26 -5.11 116.66 112.62 1nfa n ARG 35 Ca -0.13 0.00 -0.30 0.00 -1.04 0.00 0.00 57.85 56.38 1nfa n ARG 35 Cb 0.49 0.00 -0.14 0.00 -3.04 0.00 0.00 32.46 29.76 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 0.00 2.30 0.39 2.89 0.00 -1.26 -5.08 107.32 106.55 1nfa s GLY 36 Ca 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 44.72 41.69 1nfa s GLY 36 CO 0.00 1.01 0.09 0.00 0.00 0.00 0.00 173.10 174.20 1nfa s ALA 37 N 0.03 2.82 -0.51 3.20 0.00 -1.26 -4.93 121.76 121.11 1nfa s ALA 37 Ca 0.15 -1.45 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 1nfa s ALA 37 Cb -0.24 0.66 0.10 0.00 0.00 0.00 0.00 23.12 23.65 1nfa s ALA 37 CO -0.02 -0.30 0.45 0.54 0.00 0.00 0.00 175.76 176.42 1nfa s VAL 38 N -3.22 5.18 -0.26 0.00 0.11 -1.26 -4.99 120.40 115.96 1nfa s VAL 38 Ca 0.27 -1.32 -0.02 0.00 -2.93 0.00 0.00 61.98 57.97 1nfa s VAL 38 Cb 0.05 -4.22 0.15 0.00 -1.53 0.00 0.00 36.38 30.82 1nfa s VAL 38 CO 0.14 -0.74 0.45 -1.59 -3.33 0.00 0.00 175.10 170.03 1nfa s LYS 39 N 1.61 0.41 0.00 1.54 -2.85 -1.26 -4.36 119.74 114.84 1nfa s LYS 39 Ca 0.03 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 55.70 1nfa s LYS 39 Cb -0.27 -0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.35 1nfa s LYS 39 CO 0.04 -0.62 0.00 0.00 0.10 0.00 0.00 175.35 174.88 1nfa n ALA 40 N 5.39 0.00 -3.16 0.59 0.00 -1.25 -4.76 120.51 117.31 1nfa n ALA 40 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.96 1nfa n ALA 40 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 1nfa n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nfa s SER 41 N -1.52 6.12 -1.22 0.00 0.15 -1.15 -4.45 113.70 111.63 1nfa s SER 41 Ca 0.00 -1.62 -0.06 0.00 0.70 0.00 0.00 55.95 54.97 1nfa s SER 41 Cb 0.00 -2.18 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1nfa s SER 41 CO 0.00 -0.76 1.06 0.00 1.20 0.00 0.00 173.24 174.74 1nfa n ALA 42 N 5.20 -1.36 0.00 5.45 0.00 -1.26 -1.50 120.51 127.03 1nfa n ALA 42 Ca -0.13 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1nfa n ALA 42 Cb 0.41 -4.49 0.00 0.00 0.00 0.00 0.00 19.45 15.37 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 -1.72 3.23 0.00 0.00 0.00 -1.26 -4.81 105.19 100.63 1nfa n GLY 43 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.72 1.47 0.51 -0.02 0.00 -0.56 -3.84 105.19 101.03 1nfa n GLY 44 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1nfa n GLY 44 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1nfa n HIS 45 N 0.00 -1.39 -1.67 1.61 -0.00 -1.01 -3.97 115.22 108.78 1nfa n HIS 45 Ca 0.00 0.75 -0.27 0.00 0.46 0.00 0.00 57.72 58.66 1nfa n HIS 45 Cb 0.00 -1.62 0.19 0.00 -0.12 0.00 0.00 29.99 28.45 1nfa n HIS 45 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1nfa n PRO 46 N -1.51 -1.50 -3.41 1.57 -0.04 -1.25 -4.30 135.00 124.55 1nfa n PRO 46 Ca 0.00 -1.80 -0.25 0.00 -0.04 0.00 0.00 63.50 61.41 1nfa n PRO 46 Cb 0.09 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.26 1nfa n PRO 46 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nfa s ILE 47 N -3.46 5.10 -0.36 0.52 1.01 -1.24 -3.90 121.20 118.87 1nfa s ILE 47 Ca 0.67 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1nfa s ILE 47 Cb -0.03 -3.82 0.15 0.00 0.01 0.00 0.00 42.46 38.77 1nfa s ILE 47 CO 0.48 -0.47 0.24 -0.69 0.00 0.00 0.00 174.94 174.50 1nfa s VAL 48 N -2.22 0.15 0.55 2.92 1.01 -0.61 -2.78 120.40 119.42 1nfa s VAL 48 Ca 0.40 -1.85 0.08 0.00 0.00 0.00 0.00 61.98 60.61 1nfa s VAL 48 Cb -0.10 -1.12 0.07 0.00 0.00 0.00 0.00 36.38 35.23 1nfa s VAL 48 CO 0.34 -1.02 0.75 0.00 0.00 0.00 0.00 175.10 175.17 1nfa s GLN 49 N 0.90 2.39 -0.02 2.72 0.00 -1.25 -3.98 119.66 120.43 1nfa s GLN 49 Ca 0.21 -1.44 0.02 0.00 -0.00 0.00 0.00 55.36 54.15 1nfa s GLN 49 Cb -0.18 -2.64 0.00 0.00 0.00 0.00 0.00 33.01 30.20 1nfa s GLN 49 CO -0.03 -0.76 -0.06 -1.17 0.00 0.00 0.00 175.29 173.27 1nfa s LEU 50 N -4.64 1.79 -0.41 2.60 0.20 -1.26 -4.13 118.68 112.84 1nfa s LEU 50 Ca 0.60 -0.12 0.04 0.00 0.69 0.00 0.00 54.13 55.35 1nfa s LEU 50 Cb -0.07 -0.37 0.18 0.00 -0.43 0.00 0.00 46.19 45.50 1nfa s LEU 50 CO 0.38 0.04 0.37 0.00 -0.29 0.00 0.00 176.35 176.84 1nfa n HIS 51 N 3.27 -0.98 -2.79 5.38 -0.00 -0.72 -4.73 115.22 114.67 1nfa n HIS 51 Ca -0.17 -3.27 0.01 0.00 -0.00 0.00 0.00 57.72 54.29 1nfa n HIS 51 Cb 0.55 0.25 0.01 0.00 -0.00 0.00 0.00 29.99 30.80 1nfa n HIS 51 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1nfa s GLY 52 N -0.04 -1.58 0.00 -1.39 0.00 -1.26 -2.83 107.32 100.23 1nfa s GLY 52 Ca 0.33 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.11 1nfa s GLY 52 CO -0.19 4.25 0.00 2.98 0.00 0.00 0.00 173.10 180.14 1nfa n TYR 53 N 3.56 0.00 0.22 1.90 9.36 -1.26 -4.64 117.16 126.30 1nfa n TYR 53 Ca 0.07 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.36 1nfa n TYR 53 Cb 0.63 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 39.45 1nfa n TYR 53 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1nfa n LEU 54 N 0.00 2.55 -4.87 2.98 4.77 -1.26 -4.75 117.00 116.43 1nfa n LEU 54 Ca 0.00 -1.44 -0.36 0.00 -0.03 0.00 0.00 56.01 54.18 1nfa n LEU 54 Cb 0.00 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1nfa n LEU 54 CO 0.00 0.56 0.03 -1.61 -1.33 0.00 0.00 177.39 175.04 1nfa s GLU 55 N -1.06 3.73 -0.30 3.23 2.02 -1.26 -4.97 118.70 120.08 1nfa s GLU 55 Ca 0.21 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.35 1nfa s GLU 55 Cb 0.13 -3.08 0.30 0.00 0.10 0.00 0.00 34.13 31.57 1nfa s GLU 55 CO 0.18 0.63 1.76 0.27 0.02 0.00 0.00 175.26 178.12 1nfa n ASN 56 N 1.26 5.05 -4.65 -0.19 0.23 -1.26 -4.69 115.26 111.01 1nfa n ASN 56 Ca -0.11 -3.01 -0.28 0.00 -0.53 0.00 0.00 54.58 50.64 1nfa n ASN 56 Cb 0.53 -0.87 -0.08 0.00 -2.08 0.00 0.00 39.78 37.27 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 -1.92 2.37 0.12 -3.83 -1.05 -1.26 -4.98 118.70 108.14 1nfa s GLU 57 Ca 0.33 -1.01 -0.30 0.00 -0.15 0.00 0.00 54.97 53.84 1nfa s GLU 57 Cb 0.27 -2.40 -0.06 0.00 -0.44 0.00 0.00 34.13 31.50 1nfa s GLU 57 CO 0.03 0.49 1.02 -1.25 0.95 0.00 0.00 175.26 176.50 1nfa s PRO 58 N -2.55 4.64 0.35 -4.83 0.04 -1.26 -4.30 135.00 127.09 1nfa s PRO 58 Ca 0.25 1.55 0.09 0.00 0.04 0.00 0.00 61.00 62.93 1nfa s PRO 58 Cb -0.10 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 1nfa s PRO 58 CO 0.17 0.12 -0.05 -0.51 0.04 0.00 0.00 177.00 176.77 1nfa s LEU 59 N 0.07 2.83 -0.13 -3.56 1.43 -0.80 -4.96 118.68 113.56 1nfa s LEU 59 Ca 0.49 -1.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1nfa s LEU 59 Cb -0.25 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1nfa s LEU 59 CO 0.31 -0.24 0.04 0.00 0.23 0.00 0.00 176.35 176.69 1nfa s MET 60 N -3.66 3.42 0.01 1.70 0.23 -1.26 -1.14 119.30 118.59 1nfa s MET 60 Ca 0.34 -0.36 -0.20 0.00 -1.03 0.00 0.00 55.69 54.44 1nfa s MET 60 Cb 0.02 -2.99 -0.06 0.00 -1.53 0.00 0.00 34.83 30.28 1nfa s MET 60 CO 0.18 0.54 0.57 -1.17 -2.03 0.00 0.00 175.02 173.11 1nfa s LEU 61 N -0.42 4.44 -0.97 0.18 0.20 -0.60 -4.17 118.68 117.34 1nfa s LEU 61 Ca 0.09 1.15 -0.13 0.00 0.69 0.00 0.00 54.13 55.93 1nfa s LEU 61 Cb -0.12 -2.88 0.22 0.00 -0.43 0.00 0.00 46.19 42.98 1nfa s LEU 61 CO 0.02 0.15 1.00 -1.10 -0.29 0.00 0.00 176.35 176.13 1nfa s GLN 62 N -0.41 3.84 -0.19 1.98 -1.52 -0.47 -3.42 119.66 119.48 1nfa s GLN 62 Ca 0.30 -2.60 -0.10 0.00 -1.95 0.00 0.00 55.36 51.01 1nfa s GLN 62 Cb -0.18 -4.62 -0.05 0.00 -0.22 0.00 0.00 33.01 27.94 1nfa s GLN 62 CO 0.17 -1.40 0.16 -1.17 -0.25 0.00 0.00 175.29 172.79 1nfa s LEU 63 N 0.28 4.23 -0.15 2.90 2.96 -1.02 -3.07 118.68 124.82 1nfa s LEU 63 Ca 0.27 0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 54.27 1nfa s LEU 63 Cb -0.08 -2.14 0.05 0.00 0.50 0.00 0.00 46.19 44.52 1nfa s LEU 63 CO -0.08 0.19 0.54 0.12 -1.32 0.00 0.00 176.35 175.80 1nfa s PHE 64 N 0.25 -0.55 -0.22 5.38 2.19 -1.19 -1.81 117.98 122.02 1nfa s PHE 64 Ca 0.10 1.23 -0.08 0.00 0.33 0.00 0.00 56.93 58.51 1nfa s PHE 64 Cb -0.11 0.23 -0.04 0.00 -1.31 0.00 0.00 43.02 41.79 1nfa s PHE 64 CO -0.00 -0.37 0.09 -1.50 1.83 0.00 0.00 175.22 175.26 1nfa s ILE 65 N -0.25 4.70 0.03 3.12 -1.16 -1.26 -2.14 121.20 124.24 1nfa s ILE 65 Ca -0.04 -0.05 0.02 0.00 -0.51 0.00 0.00 60.65 60.06 1nfa s ILE 65 Cb -0.03 -3.17 -0.02 0.00 0.61 0.00 0.00 42.46 39.85 1nfa s ILE 65 CO 0.03 0.38 -0.07 -0.83 -2.81 0.00 0.00 174.94 171.64 1nfa s GLY 66 N 1.07 0.43 0.49 1.50 0.00 -0.63 -3.72 107.32 106.47 1nfa s GLY 66 Ca 0.05 -0.68 -0.12 0.00 0.00 0.00 0.00 44.72 43.97 1nfa s GLY 66 CO 0.03 -0.73 0.89 -0.51 0.00 0.00 0.00 173.10 172.78 1nfa s THR 67 N -1.29 4.71 -0.30 0.90 -4.23 -0.73 0.14 115.64 114.84 1nfa s THR 67 Ca -0.10 0.80 -0.08 0.00 -1.18 0.00 0.00 61.69 61.13 1nfa s THR 67 Cb -0.09 -3.78 0.15 0.00 1.34 0.00 0.00 72.50 70.12 1nfa s THR 67 CO 0.00 -0.75 0.65 0.00 -0.54 0.00 0.00 174.62 173.98 1nfa s ALA 68 N -2.67 -2.15 -0.14 3.99 0.00 -1.26 -3.21 121.76 116.31 1nfa s ALA 68 Ca 0.54 2.18 0.16 0.00 0.00 0.00 0.00 51.96 54.84 1nfa s ALA 68 Cb -0.10 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1nfa s ALA 68 CO 0.38 -1.05 1.12 0.38 0.00 0.00 0.00 175.76 176.59 1nfa h ASP 69 N 7.98 0.00 0.00 0.00 3.04 -1.94 -3.44 116.42 122.06 1nfa h ASP 69 Ca -0.19 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 1nfa h ASP 69 Cb 1.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.41 1nfa h ASP 69 CO 0.14 0.51 0.00 -0.67 -2.04 0.00 0.00 179.24 177.19 1nfa n ASP 70 N -3.03 0.00 0.00 4.15 2.03 -1.26 -5.04 116.55 113.40 1nfa n ASP 70 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1nfa n ASP 70 Cb 0.78 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 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 -1.70 0.00 -1.53 -0.67 0.63 -1.26 -5.06 116.66 107.07 1nfa n ARG 71 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1nfa n ARG 71 Cb 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.76 1nfa n ARG 71 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1nfa n LEU 72 N -0.37 0.11 -4.64 6.15 -0.00 -1.26 -4.85 117.00 112.13 1nfa n LEU 72 Ca 0.00 -0.85 -0.34 0.00 -0.00 0.00 0.00 56.01 54.82 1nfa n LEU 72 Cb 0.00 -1.05 0.12 0.00 -0.00 0.00 0.00 43.42 42.49 1nfa n LEU 72 CO 0.00 -1.85 0.62 0.00 -0.00 0.00 0.00 177.39 176.15 1nfa n LEU 73 N 11.48 3.66 -3.70 1.47 -0.00 -1.26 -4.61 117.00 124.04 1nfa n LEU 73 Ca 0.58 0.58 0.01 0.00 -0.00 0.00 0.00 56.01 57.18 1nfa n LEU 73 Cb 0.26 -1.45 -0.00 0.00 -0.00 0.00 0.00 43.42 42.23 1nfa n LEU 73 CO 0.86 -2.00 1.05 0.00 -0.00 0.00 0.00 177.39 177.29 1nfa s ARG 74 N -3.88 0.45 0.70 1.47 1.70 -1.20 -4.98 118.95 113.21 1nfa s ARG 74 Ca 0.71 -0.26 -0.11 0.00 -0.47 0.00 0.00 55.73 55.60 1nfa s ARG 74 Cb -0.30 0.15 0.01 0.00 -0.57 0.00 0.00 34.95 34.24 1nfa s ARG 74 CO 0.53 -0.21 1.07 -1.25 -1.08 0.00 0.00 175.30 174.35 1nfa s PRO 75 N -2.36 2.93 0.75 3.89 0.04 -1.26 -1.77 135.00 137.22 1nfa s PRO 75 Ca 0.17 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.83 1nfa s PRO 75 Cb 0.03 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.62 1nfa s PRO 75 CO -0.03 -1.05 1.16 -1.58 0.04 0.00 0.00 177.00 175.54 1nfa s HIS 76 N -3.16 2.14 -0.27 0.56 2.46 -1.24 -3.77 115.29 112.00 1nfa s HIS 76 Ca 0.58 1.62 -0.12 0.00 0.47 0.00 0.00 55.06 57.61 1nfa s HIS 76 Cb -0.13 -3.34 -0.12 0.00 -0.13 0.00 0.00 32.58 28.86 1nfa s HIS 76 CO 0.54 -2.37 -0.34 0.00 -2.47 0.00 0.00 174.74 170.10 1nfa n ALA 77 N -3.03 1.25 -1.45 1.58 0.00 -1.26 -4.65 120.51 112.96 1nfa n ALA 77 Ca 0.12 -1.09 0.07 0.00 0.00 0.00 0.00 53.44 52.54 1nfa n ALA 77 Cb 0.51 0.12 0.18 0.00 0.00 0.00 0.00 19.45 20.27 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 -4.13 0.00 -3.95 0.00 3.72 -1.26 -4.96 117.46 106.88 1nfa n PHE 78 Ca -0.53 -1.32 -0.10 0.00 -0.05 0.00 0.00 57.45 55.45 1nfa n PHE 78 Cb 0.90 -0.22 -0.11 0.00 -0.94 0.00 0.00 39.48 39.11 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 -3.07 0.19 0.00 1.38 1.51 -1.26 -3.78 117.35 112.32 1nfa s TYR 79 Ca 0.36 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1nfa s TYR 79 Cb 0.34 -0.14 0.00 0.00 -0.11 0.00 0.00 41.96 42.05 1nfa s TYR 79 CO -0.04 -0.18 0.00 0.94 -1.11 0.00 0.00 175.55 175.16 1nfa n GLN 80 N 1.77 0.00 -1.57 -0.62 7.27 -1.26 -4.57 117.38 118.40 1nfa n GLN 80 Ca -0.22 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.43 1nfa n GLN 80 Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 1nfa n GLN 80 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1nfa n VAL 81 N -0.93 2.22 -2.67 1.69 0.24 -1.26 -4.82 118.33 112.80 1nfa n VAL 81 Ca 0.00 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.34 61.75 1nfa n VAL 81 Cb 0.00 -0.99 0.08 0.00 -1.47 0.00 0.00 33.84 31.46 1nfa n VAL 81 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1nfa n HIS 82 N -0.40 -0.66 -4.13 6.34 -0.00 -1.26 -4.39 115.22 110.71 1nfa n HIS 82 Ca 0.10 -0.77 -0.13 0.00 -0.00 0.00 0.00 57.72 56.91 1nfa n HIS 82 Cb 0.37 1.14 -0.11 0.00 -0.00 0.00 0.00 29.99 31.39 1nfa n HIS 82 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1nfa s ARG 83 N 0.12 0.73 -0.05 1.57 3.00 -1.25 -4.99 118.95 118.07 1nfa s ARG 83 Ca 0.25 -1.04 -0.04 0.00 -1.00 0.00 0.00 55.73 53.90 1nfa s ARG 83 Cb 0.22 -0.41 -0.04 0.00 0.00 0.00 0.00 34.95 34.73 1nfa s ARG 83 CO -0.11 0.06 0.17 0.42 0.00 0.00 0.00 175.30 175.83 1nfa s ILE 84 N -2.21 5.46 0.00 4.11 1.09 -1.22 -4.23 121.20 124.20 1nfa s ILE 84 Ca 0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1nfa s ILE 84 Cb -0.04 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.87 1nfa s ILE 84 CO -0.01 0.45 0.00 0.35 -0.10 0.00 0.00 174.94 175.63 1nfa n THR 85 N 1.37 0.00 0.00 2.92 -2.24 -1.26 -4.99 114.28 110.07 1nfa n THR 85 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1nfa n THR 85 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1nfa n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nfa n GLY 86 N 1.15 1.59 3.65 3.38 0.00 -1.26 -4.08 105.19 109.62 1nfa n GLY 86 Ca 0.00 0.64 -0.43 0.00 0.00 0.00 0.00 46.02 46.23 1nfa n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfa s LYS 87 N 0.00 4.16 0.66 1.61 1.02 -1.26 -5.01 119.74 120.92 1nfa s LYS 87 Ca 0.00 1.61 -0.05 0.00 0.02 0.00 0.00 55.97 57.55 1nfa s LYS 87 Cb 0.00 -3.80 0.05 0.00 -0.52 0.00 0.00 37.83 33.56 1nfa s LYS 87 CO 0.00 -0.81 0.95 0.95 -0.92 0.00 0.00 175.35 175.52 1nfa s THR 88 N 3.74 2.45 0.25 2.17 -4.23 -1.26 -5.04 115.64 113.73 1nfa s THR 88 Ca 0.56 -0.34 0.06 0.00 -1.18 0.00 0.00 61.69 60.80 1nfa s THR 88 Cb -0.21 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 1nfa s THR 88 CO 0.17 -0.03 0.26 0.54 -0.54 0.00 0.00 174.62 175.02 1nfa s VAL 89 N -3.12 4.69 -2.00 2.29 0.11 -1.26 -4.98 120.40 116.12 1nfa s VAL 89 Ca 0.59 -1.26 0.19 0.00 -2.93 0.00 0.00 61.98 58.57 1nfa s VAL 89 Cb -0.11 -3.55 0.53 0.00 -1.53 0.00 0.00 36.38 31.72 1nfa s VAL 89 CO 0.43 -0.34 1.67 -1.20 -3.33 0.00 0.00 175.10 172.34 1nfa n SER 90 N -1.27 0.00 -4.26 3.54 7.64 -1.26 -4.55 113.62 113.46 1nfa n SER 90 Ca -0.08 -1.29 -0.42 0.00 1.01 0.00 0.00 58.87 58.09 1nfa n SER 90 Cb 0.58 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.70 1nfa n SER 90 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nfa s THR 91 N -2.00 4.51 -0.37 0.44 2.01 -1.26 -5.03 115.64 113.94 1nfa s THR 91 Ca 0.28 -1.59 -0.41 0.00 0.31 0.00 0.00 61.69 60.28 1nfa s THR 91 Cb 0.13 -3.89 -0.16 0.00 0.01 0.00 0.00 72.50 68.59 1nfa s THR 91 CO 0.22 -0.73 1.91 0.41 -0.69 0.00 0.00 174.62 175.74 1nfa n THR 92 N 5.01 0.18 -4.20 -0.82 -1.04 -1.26 -4.92 114.28 107.22 1nfa n THR 92 Ca -0.10 -0.09 -0.27 0.00 -2.04 0.00 0.00 64.05 61.56 1nfa n THR 92 Cb 0.41 -1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 67.77 1nfa n THR 92 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1nfa s SER 93 N 4.86 4.40 0.17 8.00 1.04 -1.26 -4.01 113.70 126.89 1nfa s SER 93 Ca 1.06 -1.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.08 1nfa s SER 93 Cb -1.16 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 64.92 1nfa s SER 93 CO 0.64 -0.74 0.48 -1.00 0.98 0.00 0.00 173.24 173.60 1nfa s HIS 94 N -2.70 -0.17 -0.06 5.02 3.76 -0.56 -4.96 115.29 115.62 1nfa s HIS 94 Ca 0.32 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.12 1nfa s HIS 94 Cb 0.02 0.35 -0.00 0.00 1.11 0.00 0.00 32.58 34.06 1nfa s HIS 94 CO 0.18 -0.83 -0.19 -2.00 -0.85 0.00 0.00 174.74 171.05 1nfa s GLU 95 N -3.84 2.12 -0.14 1.40 2.12 -1.26 -2.48 118.70 116.62 1nfa s GLU 95 Ca 0.07 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.73 1nfa s GLU 95 Cb 0.00 -1.77 0.02 0.00 0.26 0.00 0.00 34.13 32.65 1nfa s GLU 95 CO -0.07 0.22 -0.15 0.00 -0.54 0.00 0.00 175.26 174.73 1nfa s ALA 96 N 0.15 1.82 -0.06 6.30 0.00 -1.04 -4.97 121.76 123.96 1nfa s ALA 96 Ca -0.08 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1nfa s ALA 96 Cb -0.14 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1nfa s ALA 96 CO 0.04 -0.29 -0.10 -1.50 0.00 0.00 0.00 175.76 173.91 1nfa s ILE 97 N 1.34 3.47 -0.36 0.00 1.10 -1.26 -0.55 121.20 124.95 1nfa s ILE 97 Ca 0.02 -0.58 0.13 0.00 -0.51 0.00 0.00 60.65 59.71 1nfa s ILE 97 Cb -0.13 -2.40 0.45 0.00 0.15 0.00 0.00 42.46 40.52 1nfa s ILE 97 CO -0.08 0.59 1.02 0.00 -2.11 0.00 0.00 174.94 174.36 1nfa n LEU 98 N 2.23 2.71 -1.11 8.50 -0.00 -0.67 -5.00 117.00 123.65 1nfa n LEU 98 Ca -0.18 -4.25 0.00 0.00 -0.00 0.00 0.00 56.01 51.58 1nfa n LEU 98 Cb 0.53 0.09 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1nfa n LEU 98 CO 0.26 1.80 -0.08 -0.24 -0.00 0.00 0.00 177.39 179.13 1nfa n SER 99 N -0.25 -3.22 -2.85 1.45 2.88 -1.26 -4.48 113.62 105.89 1nfa n SER 99 Ca 0.21 0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.92 1nfa n SER 99 Cb 0.76 -1.68 -0.01 0.00 -0.75 0.00 0.00 64.21 62.53 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 0.30 -2.05 -3.17 -3.46 6.94 -1.26 -4.84 115.26 107.72 1nfa n ASN 100 Ca 0.00 0.11 0.03 0.00 -0.02 0.00 0.00 54.58 54.70 1nfa n ASN 100 Cb 0.00 -1.82 -0.00 0.00 -2.36 0.00 0.00 39.78 35.60 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 -2.40 -0.99 0.33 5.53 2.01 -1.26 -5.00 115.64 113.86 1nfa s THR 101 Ca 0.16 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.07 1nfa s THR 101 Cb -0.09 -0.62 -0.06 0.00 0.01 0.00 0.00 72.50 71.74 1nfa s THR 101 CO 0.19 0.00 0.66 -0.75 -0.69 0.00 0.00 174.62 174.03 1nfa s LYS 102 N 2.47 3.75 0.27 4.92 2.47 -1.26 -1.68 119.74 130.67 1nfa s LYS 102 Ca 0.12 0.30 -0.02 0.00 -1.56 0.00 0.00 55.97 54.81 1nfa s LYS 102 Cb -0.08 -2.52 -0.02 0.00 -1.46 0.00 0.00 37.83 33.76 1nfa s LYS 102 CO -0.19 0.11 0.30 0.08 0.16 0.00 0.00 175.35 175.82 1nfa s VAL 103 N -2.17 0.00 -0.08 4.02 1.01 0.29 -4.82 120.40 118.65 1nfa s VAL 103 Ca 0.48 -1.79 0.03 0.00 0.00 0.00 0.00 61.98 60.71 1nfa s VAL 103 Cb -0.11 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1nfa s VAL 103 CO 0.28 0.00 -0.19 -0.22 0.00 0.00 0.00 175.10 174.97 1nfa s LEU 104 N -3.19 1.90 -0.08 3.92 0.20 -0.75 -2.50 118.68 118.19 1nfa s LEU 104 Ca 0.34 -0.44 -0.00 0.00 0.69 0.00 0.00 54.13 54.72 1nfa s LEU 104 Cb 0.03 -1.14 0.02 0.00 -0.43 0.00 0.00 46.19 44.67 1nfa s LEU 104 CO 0.16 0.12 -0.04 -1.83 -0.29 0.00 0.00 176.35 174.47 1nfa s GLU 105 N 0.41 0.99 -0.17 1.98 -1.05 -1.04 -2.42 118.70 117.40 1nfa s GLU 105 Ca -0.15 -0.07 -0.02 0.00 -0.15 0.00 0.00 54.97 54.57 1nfa s GLU 105 Cb -0.16 -1.15 0.05 0.00 -0.44 0.00 0.00 34.13 32.43 1nfa s GLU 105 CO 0.06 -0.23 0.02 0.42 0.95 0.00 0.00 175.26 176.48 1nfa s ILE 106 N 1.59 0.58 -0.16 1.83 1.01 -1.22 -1.50 121.20 123.34 1nfa s ILE 106 Ca 0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 1nfa s ILE 106 Cb -0.13 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 1nfa s ILE 106 CO -0.04 -0.07 1.19 -2.16 0.00 0.00 0.00 174.94 173.86 1nfa s PRO 107 N 1.85 4.27 0.28 2.79 0.04 -1.26 -1.56 135.00 141.41 1nfa s PRO 107 Ca 0.00 1.58 0.06 0.00 0.04 0.00 0.00 61.00 62.69 1nfa s PRO 107 Cb -0.16 -3.69 -0.06 0.00 0.04 0.00 0.00 34.50 30.63 1nfa s PRO 107 CO -0.07 -0.62 -0.04 -0.51 0.04 0.00 0.00 177.00 175.80 1nfa s LEU 108 N 3.13 2.43 0.00 -3.56 1.43 -0.30 -4.72 118.68 117.09 1nfa s LEU 108 Ca 0.52 -1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1nfa s LEU 108 Cb -0.21 -0.58 0.02 0.00 0.03 0.00 0.00 46.19 45.46 1nfa s LEU 108 CO 0.14 -0.39 0.10 0.18 0.23 0.00 0.00 176.35 176.61 1nfa n LEU 109 N -0.59 0.00 0.00 1.79 4.77 -1.26 -1.91 117.00 119.81 1nfa n LEU 109 Ca -0.05 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1nfa n LEU 109 Cb 0.64 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1nfa n LEU 109 CO 0.40 -0.98 0.04 -0.81 -1.33 0.00 0.00 177.39 174.71 1nfa n PRO 110 N -1.66 0.00 -2.68 3.23 -0.04 -1.26 -4.63 135.00 127.97 1nfa n PRO 110 Ca 0.01 0.17 -0.05 0.00 -0.04 0.00 0.00 63.50 63.60 1nfa n PRO 110 Cb 0.05 -0.73 0.05 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.02 0.55 0.13 0.54 2.13 -1.26 -4.67 120.64 117.03 1nfa n GLU 111 Ca 0.00 -1.14 -0.24 0.00 0.66 0.00 0.00 57.16 56.44 1nfa n GLU 111 Cb 0.00 -0.12 -0.15 0.00 0.27 0.00 0.00 31.44 31.43 1nfa n GLU 111 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1nfa h ASN 112 N 1.70 0.81 0.00 4.31 7.08 -1.93 -3.47 115.58 124.07 1nfa h ASN 112 Ca -0.42 -0.91 0.00 0.00 -3.08 0.00 0.00 56.30 51.89 1nfa h ASN 112 Cb 1.24 -0.26 0.00 0.00 -2.08 0.00 0.00 38.32 37.22 1nfa h ASN 112 CO -0.11 1.66 0.00 -1.20 -2.08 0.00 0.00 177.43 175.70 1nfa n SER 113 N -3.79 0.00 -3.63 6.14 7.64 -1.26 -5.18 113.62 113.54 1nfa n SER 113 Ca -0.16 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.60 1nfa n SER 113 Cb 1.05 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 64.19 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 0.73 -0.04 1.43 0.23 -1.26 -5.16 119.30 115.23 1nfa s MET 114 Ca 0.00 0.88 0.07 0.00 -1.03 0.00 0.00 55.69 55.61 1nfa s MET 114 Cb 0.00 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.64 1nfa s MET 114 CO 0.00 -0.09 -0.25 0.50 -2.03 0.00 0.00 175.02 173.15 1nfa s ARG 115 N 0.37 2.35 -0.46 3.16 3.52 -1.26 -4.69 118.95 121.93 1nfa s ARG 115 Ca 0.01 -0.90 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 1nfa s ARG 115 Cb -0.05 -2.12 0.12 0.00 -1.56 0.00 0.00 34.95 31.34 1nfa s ARG 115 CO -0.02 0.48 0.27 0.00 -0.81 0.00 0.00 175.30 175.22 1nfa s ALA 116 N -0.40 3.27 -0.19 6.12 0.00 -1.26 -4.88 121.76 124.41 1nfa s ALA 116 Ca 0.04 -2.70 -0.14 0.00 0.00 0.00 0.00 51.96 49.16 1nfa s ALA 116 Cb -0.12 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 1nfa s ALA 116 CO 0.01 -1.88 0.30 0.14 0.00 0.00 0.00 175.76 174.33 1nfa s VAL 117 N 0.89 5.28 -0.38 0.00 -7.23 -1.26 -1.58 120.40 116.13 1nfa s VAL 117 Ca 0.10 0.52 -0.12 0.00 -1.81 0.00 0.00 61.98 60.67 1nfa s VAL 117 Cb -0.22 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.10 1nfa s VAL 117 CO -0.04 0.33 0.23 -0.63 -0.31 0.00 0.00 175.10 174.69 1nfa s ILE 118 N 0.90 4.87 -0.30 -0.62 1.01 -1.25 -4.90 121.20 120.91 1nfa s ILE 118 Ca 0.15 -0.68 0.19 0.00 0.00 0.00 0.00 60.65 60.31 1nfa s ILE 118 Cb -0.14 -3.67 0.47 0.00 0.01 0.00 0.00 42.46 39.13 1nfa s ILE 118 CO 0.05 -0.20 1.24 -0.67 0.00 0.00 0.00 174.94 175.35 1nfa n ASP 119 N 5.06 0.44 -2.98 3.58 -0.08 -1.25 -4.37 116.55 116.94 1nfa n ASP 119 Ca -0.12 -2.19 -0.14 0.00 -1.51 0.00 0.00 54.79 50.83 1nfa n ASP 119 Cb 0.47 -0.05 0.01 0.00 2.34 0.00 0.00 41.12 43.90 1nfa n ASP 119 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nfa s ALA 121 N -1.84 1.55 0.24 0.00 0.00 -1.26 -3.45 121.76 117.00 1nfa s ALA 121 Ca 0.33 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1nfa s ALA 121 Cb 0.36 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1nfa s ALA 121 CO -0.05 0.18 0.10 0.41 0.00 0.00 0.00 175.76 176.40 1nfa n GLY 122 N 0.75 3.34 3.54 0.00 0.00 -1.26 -4.55 105.19 107.02 1nfa n GLY 122 Ca -0.17 -2.25 -0.25 0.00 0.00 0.00 0.00 46.02 43.35 1nfa n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nfa s ILE 123 N -1.48 1.34 0.07 -0.61 1.01 -1.26 -4.68 121.20 115.60 1nfa s ILE 123 Ca 0.08 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.72 1nfa s ILE 123 Cb -0.01 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 1nfa s ILE 123 CO 0.05 0.00 0.00 -0.22 0.00 0.00 0.00 174.94 174.77 1nfa s LEU 124 N -3.60 2.26 -0.05 2.97 0.20 -1.26 -4.89 118.68 114.31 1nfa s LEU 124 Ca 0.32 -1.04 -0.00 0.00 0.69 0.00 0.00 54.13 54.09 1nfa s LEU 124 Cb 0.08 0.26 0.03 0.00 -0.43 0.00 0.00 46.19 46.12 1nfa s LEU 124 CO 0.15 -0.64 -0.00 -0.54 -0.29 0.00 0.00 176.35 175.03 1nfa s LYS 125 N -3.95 0.48 0.55 1.98 3.01 -1.25 -4.53 119.74 116.02 1nfa s LYS 125 Ca 0.11 0.09 -0.03 0.00 -1.01 0.00 0.00 55.97 55.14 1nfa s LYS 125 Cb 0.08 -0.75 0.01 0.00 -1.01 0.00 0.00 37.83 36.16 1nfa s LYS 125 CO -0.07 -0.22 0.81 -0.51 0.51 0.00 0.00 175.35 175.88 1nfa s LEU 126 N 1.52 3.34 0.00 3.17 1.02 -1.26 -5.01 118.68 121.45 1nfa s LEU 126 Ca -0.02 0.41 0.00 0.00 0.02 0.00 0.00 54.13 54.54 1nfa s LEU 126 Cb -0.13 -3.25 0.00 0.00 0.02 0.00 0.00 46.19 42.83 1nfa s LEU 126 CO -0.03 -1.01 0.89 -2.11 0.02 0.00 0.00 176.35 174.11 1nfa n ARG 127 N -2.41 0.00 -0.09 1.70 -4.01 -1.26 -4.92 116.66 105.67 1nfa n ARG 127 Ca 0.04 -0.82 0.01 0.00 -1.04 0.00 0.00 57.85 56.04 1nfa n ARG 127 Cb 0.58 0.43 0.01 0.00 -3.04 0.00 0.00 32.46 30.44 1nfa n ARG 127 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 1nfa n ASN 128 N 0.00 0.68 0.00 2.89 6.94 -1.26 -4.98 115.26 119.53 1nfa n ASN 128 Ca -0.23 -1.59 0.00 0.00 -0.02 0.00 0.00 54.58 52.74 1nfa n ASN 128 Cb 0.65 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 1nfa n ASN 128 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1nfa n SER 129 N -0.24 0.00 -1.21 0.53 3.41 -1.26 -5.09 113.62 109.75 1nfa n SER 129 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1nfa n SER 129 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1nfa n SER 129 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nfa n ASP 130 N -0.46 -1.65 -4.62 4.04 -0.08 -1.26 -5.05 116.55 107.47 1nfa n ASP 130 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 1nfa n ASP 130 Cb 0.00 -0.41 -0.10 0.00 2.34 0.00 0.00 41.12 42.94 1nfa n ASP 130 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1nfa s ILE 131 N -2.82 5.31 -0.30 5.18 2.07 -1.26 -5.02 121.20 124.36 1nfa s ILE 131 Ca 0.00 0.24 -0.10 0.00 -1.41 0.00 0.00 60.65 59.37 1nfa s ILE 131 Cb 0.00 -3.54 0.18 0.00 0.13 0.00 0.00 42.46 39.22 1nfa s ILE 131 CO 0.00 0.27 0.93 -0.70 -1.91 0.00 0.00 174.94 173.53 1nfa s GLU 132 N 1.53 0.30 -0.05 3.50 2.56 -1.26 -5.15 118.70 120.12 1nfa s GLU 132 Ca 0.08 0.55 0.03 0.00 0.00 0.00 0.00 54.97 55.64 1nfa s GLU 132 Cb -0.15 0.31 0.00 0.00 2.00 0.00 0.00 34.13 36.29 1nfa s GLU 132 CO 0.09 -0.30 -0.14 -0.48 -0.56 0.00 0.00 175.26 173.87 1nfa s LEU 133 N 2.87 1.82 0.00 2.70 0.05 -1.26 -5.11 118.68 119.75 1nfa s LEU 133 Ca 0.04 -0.31 0.00 0.00 0.05 0.00 0.00 54.13 53.91 1nfa s LEU 133 Cb -0.11 -0.85 0.00 0.00 -2.05 0.00 0.00 46.19 43.18 1nfa s LEU 133 CO -0.14 0.10 0.00 -2.11 -0.55 0.00 0.00 176.35 173.65 1nfa n ARG 134 N 3.37 0.00 -3.61 1.48 1.85 -1.26 -5.15 116.66 113.34 1nfa n ARG 134 Ca -0.19 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.33 1nfa n ARG 134 Cb 0.53 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.89 1nfa n ARG 134 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1nfa s LYS 135 N -1.52 3.69 0.00 2.89 2.20 -1.26 -4.98 119.74 120.77 1nfa s LYS 135 Ca 0.00 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1nfa s LYS 135 Cb 0.00 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1nfa s LYS 135 CO 0.00 0.50 0.00 0.41 -0.36 0.00 0.00 175.35 175.90 1nfa n GLY 136 N 0.44 1.37 3.14 5.54 0.00 -1.26 -5.09 105.19 109.34 1nfa n GLY 136 Ca -0.05 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 1nfa n GLY 136 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nfa s GLU 137 N -1.53 0.48 0.00 1.61 -1.05 -1.26 -5.17 118.70 111.78 1nfa s GLU 137 Ca 0.00 -0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 1nfa s GLU 137 Cb 0.00 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1nfa s GLU 137 CO 0.00 -0.11 0.00 0.25 0.95 0.00 0.00 175.26 176.35 1nfa n THR 138 N 1.77 0.00 0.00 1.83 -2.24 -1.26 -5.12 114.28 109.27 1nfa n THR 138 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1nfa n THR 138 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1nfa n THR 138 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nfa n ASP 139 N -0.97 0.00 -0.25 3.42 8.00 -1.26 -4.84 116.55 120.66 1nfa n ASP 139 Ca 0.00 0.03 0.01 0.00 0.71 0.00 0.00 54.79 55.55 1nfa n ASP 139 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1nfa n ASP 139 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1nfa n ILE 140 N -0.20 0.37 0.00 0.53 -5.35 -1.26 -5.11 119.36 108.35 1nfa n ILE 140 Ca 0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1nfa n ILE 140 Cb 0.00 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1nfa n ILE 140 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nfa n GLY 141 N -0.26 -0.65 4.13 3.28 0.00 -1.26 -5.04 105.19 105.38 1nfa n GLY 141 Ca 0.02 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1nfa n GLY 141 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nfa n ARG 142 N 0.00 -0.46 -3.17 1.61 1.85 -1.26 -4.83 116.66 110.39 1nfa n ARG 142 Ca 0.00 0.08 -0.44 0.00 -1.00 0.00 0.00 57.85 56.49 1nfa n ARG 142 Cb 0.00 -2.81 0.00 0.00 -1.05 0.00 0.00 32.46 28.60 1nfa n ARG 142 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1nfa n LYS 143 N -4.94 3.66 -1.24 2.89 4.81 -1.26 -4.63 118.16 117.45 1nfa n LYS 143 Ca -0.17 -4.32 0.00 0.00 -0.87 0.00 0.00 58.31 52.95 1nfa n LYS 143 Cb 0.60 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 33.00 1nfa n LYS 143 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1nfa n ASN 144 N 3.08 -6.91 -2.71 3.14 5.03 -1.26 -5.00 115.26 110.62 1nfa n ASN 144 Ca 0.27 0.95 -0.08 0.00 0.87 0.00 0.00 54.58 56.60 1nfa n ASN 144 Cb 0.39 -3.40 0.11 0.00 -1.02 0.00 0.00 39.78 35.85 1nfa n ASN 144 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1nfa n THR 145 N -0.68 0.02 -2.30 3.41 -1.04 -1.26 -4.92 114.28 107.51 1nfa n THR 145 Ca 0.00 -1.56 -0.26 0.00 -2.04 0.00 0.00 64.05 60.19 1nfa n THR 145 Cb 0.00 1.13 0.13 0.00 -1.82 0.00 0.00 70.33 69.77 1nfa n THR 145 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nfa s ARG 146 N 0.12 1.40 0.18 -2.82 1.70 -1.26 -4.10 118.95 114.17 1nfa s ARG 146 Ca 0.22 -0.73 0.03 0.00 -0.47 0.00 0.00 55.73 54.78 1nfa s ARG 146 Cb 0.37 -2.14 -0.01 0.00 -0.57 0.00 0.00 34.95 32.60 1nfa s ARG 146 CO -0.08 -1.75 0.10 1.33 -1.08 0.00 0.00 175.30 173.82 1nfa n VAL 147 N -3.17 0.00 -3.35 4.99 0.24 -1.25 -4.59 118.33 111.19 1nfa n VAL 147 Ca 0.14 -1.17 -0.14 0.00 -2.04 0.00 0.00 64.34 61.13 1nfa n VAL 147 Cb 0.60 0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 33.39 1nfa n VAL 147 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1nfa s ARG 148 N -2.71 0.49 -0.10 7.34 3.52 0.37 -4.39 118.95 123.46 1nfa s ARG 148 Ca 0.14 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.09 1nfa s ARG 148 Cb 0.01 -0.56 -0.02 0.00 -1.56 0.00 0.00 34.95 32.82 1nfa s ARG 148 CO 0.10 -1.10 1.10 -0.51 -0.81 0.00 0.00 175.30 174.08 1nfa s LEU 149 N 2.04 4.24 -0.29 -0.88 2.01 -0.90 -1.61 118.68 123.29 1nfa s LEU 149 Ca 0.13 1.63 -0.06 0.00 0.01 0.00 0.00 54.13 55.84 1nfa s LEU 149 Cb -0.14 -3.55 0.02 0.00 0.01 0.00 0.00 46.19 42.53 1nfa s LEU 149 CO -0.20 -0.54 0.05 -0.69 1.01 0.00 0.00 176.35 175.98 1nfa s VAL 150 N 2.29 3.69 -0.30 -1.59 1.01 -0.91 -1.04 120.40 123.56 1nfa s VAL 150 Ca 0.51 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1nfa s VAL 150 Cb -0.21 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1nfa s VAL 150 CO 0.18 0.08 0.05 -0.36 0.00 0.00 0.00 175.10 175.05 1nfa s PHE 151 N 1.45 3.17 -0.13 5.22 0.08 -0.07 -3.19 117.98 124.51 1nfa s PHE 151 Ca 0.02 -1.27 -0.11 0.00 0.12 0.00 0.00 56.93 55.68 1nfa s PHE 151 Cb -0.17 -2.21 0.04 0.00 -0.57 0.00 0.00 43.02 40.10 1nfa s PHE 151 CO 0.01 -0.66 0.34 -0.98 -0.10 0.00 0.00 175.22 173.83 1nfa s ARG 152 N 1.42 0.39 -0.15 0.44 1.70 -1.17 -1.21 118.95 120.37 1nfa s ARG 152 Ca 0.00 0.50 -0.01 0.00 -0.47 0.00 0.00 55.73 55.75 1nfa s ARG 152 Cb -0.18 0.16 -0.02 0.00 -0.57 0.00 0.00 34.95 34.35 1nfa s ARG 152 CO 0.01 -0.06 -0.10 0.54 -1.08 0.00 0.00 175.30 174.61 1nfa s VAL 153 N 0.33 3.28 -0.13 4.99 0.11 -1.26 -1.37 120.40 126.35 1nfa s VAL 153 Ca -0.01 -0.57 -0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1nfa s VAL 153 Cb -0.03 -2.41 0.03 0.00 -1.53 0.00 0.00 36.38 32.44 1nfa s VAL 153 CO -0.01 0.50 -0.07 -1.00 -3.33 0.00 0.00 175.10 171.19 1nfa s HIS 154 N 0.51 1.62 -0.07 1.54 3.76 -1.26 -2.55 115.29 118.84 1nfa s HIS 154 Ca -0.07 -0.90 -0.08 0.00 -0.15 0.00 0.00 55.06 53.86 1nfa s HIS 154 Cb -0.15 -1.29 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 1nfa s HIS 154 CO 0.04 -0.56 0.21 0.54 -0.85 0.00 0.00 174.74 174.11 1nfa s VAL 155 N 1.66 5.39 -0.31 -0.90 0.11 -0.74 -4.73 120.40 120.89 1nfa s VAL 155 Ca 0.04 0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 59.07 1nfa s VAL 155 Cb -0.13 -3.49 -0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1nfa s VAL 155 CO -0.08 0.55 1.37 -2.16 -3.33 0.00 0.00 175.10 171.45 1nfa s PRO 156 N -1.22 3.83 0.19 1.54 0.04 -1.26 -4.76 135.00 133.35 1nfa s PRO 156 Ca 0.19 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1nfa s PRO 156 Cb -0.13 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1nfa s PRO 156 CO 0.09 -1.23 0.04 -0.65 0.04 0.00 0.00 177.00 175.28 1nfa s GLN 157 N 4.39 1.16 -0.04 4.56 -1.52 -1.26 -5.09 119.66 121.86 1nfa s GLN 157 Ca 0.59 -1.58 -0.04 0.00 -1.95 0.00 0.00 55.36 52.39 1nfa s GLN 157 Cb -0.17 -0.17 -0.02 0.00 -0.22 0.00 0.00 33.01 32.43 1nfa s GLN 157 CO 0.26 -0.20 0.24 -1.00 -0.25 0.00 0.00 175.29 174.34 1nfa h PRO 158 N 2.64 -0.12 0.00 2.91 0.13 -2.02 -3.40 132.00 132.14 1nfa h PRO 158 Ca -0.37 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1nfa h PRO 158 Cb 1.22 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nfa h PRO 158 CO 0.61 -0.08 0.00 0.43 -0.23 0.00 0.00 178.00 178.73 1nfa n SER 159 N -3.52 0.00 0.00 1.44 7.64 -1.26 -4.96 113.62 112.96 1nfa n SER 159 Ca -0.02 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1nfa n SER 159 Cb 0.05 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1nfa n SER 159 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfa n GLY 160 N -0.72 4.02 3.58 0.23 0.00 -1.26 -5.03 105.19 106.01 1nfa n GLY 160 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 3.04 0.00 1.61 1.74 -1.26 -4.52 116.66 117.27 1nfa n ARG 161 Ca 0.00 -3.20 0.00 0.00 -0.77 0.00 0.00 57.85 53.88 1nfa n ARG 161 Cb 0.00 -3.52 0.00 0.00 -1.02 0.00 0.00 32.46 27.92 1nfa n ARG 161 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1nfa n THR 162 N 6.53 0.00 -3.77 0.55 -1.04 -1.26 -5.08 114.28 110.21 1nfa n THR 162 Ca 0.49 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.20 1nfa n THR 162 Cb 0.46 -0.02 -0.15 0.00 -1.82 0.00 0.00 70.33 68.80 1nfa n THR 162 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1nfa s LEU 163 N -0.32 2.21 -0.30 -4.42 2.96 -1.26 -4.98 118.68 112.57 1nfa s LEU 163 Ca 0.00 -1.47 -0.06 0.00 -0.22 0.00 0.00 54.13 52.38 1nfa s LEU 163 Cb 0.00 -0.89 0.17 0.00 0.50 0.00 0.00 46.19 45.97 1nfa s LEU 163 CO 0.00 -0.37 0.69 -0.55 -1.32 0.00 0.00 176.35 174.80 1nfa s SER 164 N 1.60 -1.15 0.45 3.68 0.15 -1.25 -1.79 113.70 115.39 1nfa s SER 164 Ca 0.06 1.06 0.03 0.00 0.70 0.00 0.00 55.95 57.80 1nfa s SER 164 Cb -0.17 2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 66.20 1nfa s SER 164 CO -0.19 -0.22 0.03 -0.76 1.20 0.00 0.00 173.24 173.30 1nfa s LEU 165 N 2.84 2.36 -0.25 3.45 1.43 -1.06 -4.99 118.68 122.47 1nfa s LEU 165 Ca 0.08 -1.56 -0.02 0.00 -1.03 0.00 0.00 54.13 51.60 1nfa s LEU 165 Cb -0.13 -0.61 0.12 0.00 0.03 0.00 0.00 46.19 45.60 1nfa s LEU 165 CO -0.19 -0.74 0.30 -1.58 0.23 0.00 0.00 176.35 174.36 1nfa s GLN 166 N -3.81 0.29 0.19 1.70 0.74 -1.26 -4.01 119.66 113.50 1nfa s GLN 166 Ca 0.20 0.15 0.11 0.00 0.05 0.00 0.00 55.36 55.86 1nfa s GLN 166 Cb 0.05 -0.77 -0.04 0.00 1.10 0.00 0.00 33.01 33.35 1nfa s GLN 166 CO 0.10 -0.82 -0.20 0.08 -0.55 0.00 0.00 175.29 173.91 1nfa s VAL 167 N 2.41 2.61 -0.28 1.34 1.01 -0.35 -5.00 120.40 122.14 1nfa s VAL 167 Ca 0.09 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1nfa s VAL 167 Cb -0.15 -2.26 0.15 0.00 0.00 0.00 0.00 36.38 34.13 1nfa s VAL 167 CO -0.22 -0.10 0.39 0.00 0.00 0.00 0.00 175.10 175.17 1nfa s ALA 168 N -1.65 -1.11 0.18 5.51 0.00 -1.26 -0.89 121.76 122.55 1nfa s ALA 168 Ca 0.22 0.36 0.05 0.00 0.00 0.00 0.00 51.96 52.58 1nfa s ALA 168 Cb -0.08 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 1nfa s ALA 168 CO 0.11 -1.61 -0.08 -1.12 0.00 0.00 0.00 175.76 173.06 1nfa s SER 169 N 2.53 1.92 0.00 0.00 0.01 -0.20 -4.89 113.70 113.06 1nfa s SER 169 Ca 0.10 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.29 1nfa s SER 169 Cb -0.13 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1nfa s SER 169 CO -0.27 -0.37 0.00 -0.46 0.41 0.00 0.00 173.24 172.56 1nfa n ASN 170 N -0.29 0.00 -3.63 2.44 6.94 -1.26 -2.11 115.26 117.34 1nfa n ASN 170 Ca -0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.07 1nfa n ASN 170 Cb 0.62 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.03 1nfa n ASN 170 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1nfa n PRO 171 N 0.00 2.95 -3.87 -0.53 -0.04 -1.26 -4.83 135.00 127.42 1nfa n PRO 171 Ca 0.00 -2.47 -0.20 0.00 -0.04 0.00 0.00 63.50 60.79 1nfa n PRO 171 Cb 0.00 -3.16 -0.17 0.00 -0.04 0.00 0.00 33.50 30.13 1nfa n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nfa s ILE 172 N 3.07 0.28 -0.23 0.52 1.01 -1.26 -3.23 121.20 121.36 1nfa s ILE 172 Ca 0.52 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 61.25 1nfa s ILE 172 Cb 0.15 -0.41 0.11 0.00 0.01 0.00 0.00 42.46 42.32 1nfa s ILE 172 CO -0.07 0.21 0.28 -1.61 0.00 0.00 0.00 174.94 173.74 1nfa s GLU 173 N 1.55 0.26 0.82 2.79 2.02 -1.26 -3.88 118.70 121.00 1nfa s GLU 173 Ca -0.02 0.22 -0.09 0.00 0.02 0.00 0.00 54.97 55.10 1nfa s GLU 173 Cb -0.13 -0.91 0.14 0.00 0.10 0.00 0.00 34.13 33.33 1nfa s GLU 173 CO -0.03 -0.73 1.14 0.00 0.02 0.00 0.00 175.26 175.66 1nfa n SER 175 N -3.26 0.00 -2.17 0.00 3.41 -1.26 -4.19 113.62 106.15 1nfa n SER 175 Ca 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.71 1nfa n SER 175 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.09 0.00 4.33 7.27 -1.26 -4.97 117.38 121.66 1nfa n GLN 176 Ca 0.00 1.25 0.00 0.00 0.07 0.00 0.00 57.00 58.32 1nfa n GLN 176 Cb 0.00 -3.53 0.00 0.00 2.41 0.00 0.00 30.24 29.12 1nfa n GLN 176 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1nfa n ARG 177 N -0.53 0.00 0.00 3.69 3.00 -1.26 -5.18 116.66 116.38 1nfa n ARG 177 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 1nfa n ARG 177 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.72 1nfa n ARG 177 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08