#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfa s LYS 2 N 0.00 3.46 1.32 3.17 -2.85 -1.26 -5.11 119.74 118.48 1nfa s LYS 2 Ca 0.00 -0.63 -0.21 0.00 -1.00 0.00 0.00 55.97 54.13 1nfa s LYS 2 Cb 0.00 -2.74 0.32 0.00 -2.06 0.00 0.00 37.83 33.35 1nfa s LYS 2 CO 0.00 0.18 0.73 -0.25 0.10 0.00 0.00 175.35 176.11 1nfa n ASP 3 N 3.64 -3.86 -0.08 0.03 8.00 -1.26 -4.87 116.55 118.15 1nfa n ASP 3 Ca -0.18 -0.74 -0.07 0.00 0.71 0.00 0.00 54.79 54.51 1nfa n ASP 3 Cb 0.52 -0.92 0.11 0.00 -0.02 0.00 0.00 41.12 40.82 1nfa n ASP 3 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1nfa h TRP 4 N -3.40 0.84 -0.08 1.24 5.08 -2.09 -3.42 115.95 114.12 1nfa h TRP 4 Ca -0.33 -0.18 0.03 0.00 1.08 0.00 0.00 58.89 59.49 1nfa h TRP 4 Cb 1.12 -0.21 -0.15 0.00 -3.00 0.00 0.00 29.16 26.92 1nfa h TRP 4 CO 0.00 0.88 -0.08 0.94 -1.28 0.00 0.00 178.44 178.91 1nfa n GLN 5 N -4.13 0.05 -3.66 0.12 -0.06 -1.26 -5.15 117.38 103.29 1nfa n GLN 5 Ca 0.00 -0.64 -0.09 0.00 -2.00 0.00 0.00 57.00 54.27 1nfa n GLN 5 Cb 0.41 0.30 -0.10 0.00 -4.06 0.00 0.00 30.24 26.79 1nfa n GLN 5 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1nfa s LEU 6 N 0.93 -0.51 -0.87 1.69 2.96 -1.26 -5.09 118.68 116.51 1nfa s LEU 6 Ca 0.23 0.92 -0.25 0.00 -0.22 0.00 0.00 54.13 54.81 1nfa s LEU 6 Cb 0.15 1.25 0.03 0.00 0.50 0.00 0.00 46.19 48.12 1nfa s LEU 6 CO -0.11 -0.23 1.47 -2.16 -1.32 0.00 0.00 176.35 174.00 1nfa s PRO 7 N 2.41 3.27 -0.28 0.98 0.04 -1.26 -4.73 135.00 135.43 1nfa s PRO 7 Ca -0.02 -0.59 0.21 0.00 0.04 0.00 0.00 61.00 60.64 1nfa s PRO 7 Cb -0.11 -4.82 0.49 0.00 0.04 0.00 0.00 34.50 30.09 1nfa s PRO 7 CO -0.12 -2.34 1.18 -1.13 0.04 0.00 0.00 177.00 174.63 1nfa n SER 8 N 9.84 1.02 -3.93 6.66 3.41 -1.26 -5.06 113.62 124.31 1nfa n SER 8 Ca 0.22 -2.09 -0.10 0.00 -0.26 0.00 0.00 58.87 56.63 1nfa n SER 8 Cb 0.50 -0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 1nfa n SER 8 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1nfa s HIS 9 N -3.08 0.14 0.17 7.33 -3.43 -1.26 -4.95 115.29 110.20 1nfa s HIS 9 Ca 0.24 -0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.21 1nfa s HIS 9 Cb 0.35 -0.11 0.00 0.00 -1.43 0.00 0.00 32.58 31.39 1nfa s HIS 9 CO -0.05 -0.12 0.00 0.43 -2.00 0.00 0.00 174.74 173.00 1nfa n SER 10 N 2.19 -6.27 -3.75 7.38 7.64 -1.26 -4.71 113.62 114.84 1nfa n SER 10 Ca -0.19 0.81 -0.32 0.00 1.01 0.00 0.00 58.87 60.19 1nfa n SER 10 Cb 0.57 -3.11 0.03 0.00 -1.01 0.00 0.00 64.21 60.69 1nfa n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfa n GLY 11 N 0.73 -1.04 3.64 0.23 0.00 -1.26 -4.85 105.19 102.65 1nfa n GLY 11 Ca 0.00 0.46 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 1nfa n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nfa s PRO 12 N -5.90 4.09 0.41 1.61 0.04 -1.26 -5.00 135.00 128.99 1nfa s PRO 12 Ca 0.35 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.74 1nfa s PRO 12 Cb -0.15 -3.76 -0.00 0.00 0.04 0.00 0.00 34.50 30.63 1nfa s PRO 12 CO 0.89 -0.88 0.49 0.71 0.04 0.00 0.00 177.00 178.25 1nfa s TYR 13 N 3.73 2.79 -0.28 0.56 2.02 -1.26 -4.71 117.35 120.20 1nfa s TYR 13 Ca 0.49 -0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 56.60 1nfa s TYR 13 Cb -0.15 -2.28 0.09 0.00 -0.40 0.00 0.00 41.96 39.21 1nfa s TYR 13 CO 0.16 -0.28 0.72 -2.00 -1.57 0.00 0.00 175.55 172.57 1nfa s GLU 14 N -4.26 0.69 -0.54 -0.62 2.12 -1.18 -4.92 118.70 109.98 1nfa s GLU 14 Ca 0.52 1.16 0.04 0.00 0.36 0.00 0.00 54.97 57.05 1nfa s GLU 14 Cb -0.07 0.16 0.15 0.00 0.26 0.00 0.00 34.13 34.62 1nfa s GLU 14 CO 0.31 -0.14 0.36 -1.17 -0.54 0.00 0.00 175.26 174.08 1nfa s LEU 15 N 1.51 3.45 0.14 2.70 2.96 -1.26 -2.55 118.68 125.63 1nfa s LEU 15 Ca -0.09 -3.22 0.07 0.00 -0.22 0.00 0.00 54.13 50.67 1nfa s LEU 15 Cb -0.05 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 1nfa s LEU 15 CO -0.18 -0.18 -0.16 -0.60 -1.32 0.00 0.00 176.35 173.91 1nfa s ARG 16 N -0.46 1.13 0.53 1.98 3.52 -1.26 -4.87 118.95 119.52 1nfa s ARG 16 Ca 0.23 -1.30 -0.21 0.00 -0.13 0.00 0.00 55.73 54.32 1nfa s ARG 16 Cb -0.12 -1.11 -0.05 0.00 -1.56 0.00 0.00 34.95 32.11 1nfa s ARG 16 CO -0.10 0.22 1.20 0.42 -0.81 0.00 0.00 175.30 176.23 1nfa s ILE 17 N -2.03 2.82 0.22 4.11 1.09 -1.26 -3.96 121.20 122.19 1nfa s ILE 17 Ca 0.11 0.56 0.01 0.00 -1.10 0.00 0.00 60.65 60.23 1nfa s ILE 17 Cb -0.06 -3.25 -0.03 0.00 -1.06 0.00 0.00 42.46 38.06 1nfa s ILE 17 CO 0.05 -0.06 1.56 -0.08 -0.10 0.00 0.00 174.94 176.30 1nfa h GLU 18 N 1.41 0.42 -2.18 2.79 4.81 -1.85 -3.45 114.58 116.52 1nfa h GLU 18 Ca -0.50 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 58.43 1nfa h GLU 18 Cb 1.27 0.03 -0.22 0.00 0.63 0.00 0.00 28.75 30.46 1nfa h GLU 18 CO 0.57 0.85 -0.01 0.08 -0.73 0.00 0.00 179.01 179.77 1nfa s VAL 19 N -3.97 -0.00 -0.80 0.32 1.01 -1.26 -5.03 120.40 110.67 1nfa s VAL 19 Ca -0.06 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1nfa s VAL 19 Cb 0.12 -0.89 0.19 0.00 0.00 0.00 0.00 36.38 35.80 1nfa s VAL 19 CO 0.82 0.00 0.64 -1.10 0.00 0.00 0.00 175.10 175.46 1nfa s GLN 20 N 0.88 2.88 1.02 2.72 -1.52 -1.26 -2.98 119.66 121.41 1nfa s GLN 20 Ca -0.04 -3.30 -0.17 0.00 -1.95 0.00 0.00 55.36 49.89 1nfa s GLN 20 Cb -0.05 -3.70 0.23 0.00 -0.22 0.00 0.00 33.01 29.27 1nfa s GLN 20 CO -0.07 -1.27 1.31 -1.25 -0.25 0.00 0.00 175.29 173.76 1nfa s PRO 21 N -1.39 0.16 -0.50 2.91 0.04 -1.26 -4.84 135.00 130.12 1nfa s PRO 21 Ca 0.26 -0.44 -0.39 0.00 0.04 0.00 0.00 61.00 60.47 1nfa s PRO 21 Cb -0.06 -1.79 -0.16 0.00 0.04 0.00 0.00 34.50 32.52 1nfa s PRO 21 CO -0.14 -2.73 2.23 1.63 0.04 0.00 0.00 177.00 178.02 1nfa n LYS 22 N -3.98 0.42 -2.38 4.56 5.02 -1.26 -4.76 118.16 115.77 1nfa n LYS 22 Ca 0.16 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.45 1nfa n LYS 22 Cb 0.59 -1.91 0.04 0.00 -0.02 0.00 0.00 35.03 33.74 1nfa n LYS 22 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1nfa n SER 23 N 8.93 3.02 -4.99 4.39 3.41 -1.26 -3.40 113.62 123.72 1nfa n SER 23 Ca 0.51 -2.83 -0.19 0.00 -0.26 0.00 0.00 58.87 56.10 1nfa n SER 23 Cb 0.08 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1nfa n SER 23 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1nfa s HIS 24 N -3.58 3.04 -0.24 7.33 -3.43 -1.26 -4.73 115.29 112.42 1nfa s HIS 24 Ca 0.38 -0.24 -0.03 0.00 -0.80 0.00 0.00 55.06 54.37 1nfa s HIS 24 Cb 0.36 -2.11 0.08 0.00 -1.43 0.00 0.00 32.58 29.49 1nfa s HIS 24 CO -0.01 -0.13 0.08 -1.58 -2.00 0.00 0.00 174.74 171.10 1nfa s HIS 25 N -2.24 0.99 -1.22 0.38 2.46 -1.26 -4.90 115.29 109.51 1nfa s HIS 25 Ca 0.48 -1.05 -0.08 0.00 0.47 0.00 0.00 55.06 54.87 1nfa s HIS 25 Cb -0.10 -1.16 0.21 0.00 -0.13 0.00 0.00 32.58 31.40 1nfa s HIS 25 CO 0.32 -0.72 1.73 -2.13 -2.47 0.00 0.00 174.74 171.47 1nfa n ARG 26 N 5.06 3.83 -2.09 2.88 0.63 -1.26 -3.80 116.66 121.90 1nfa n ARG 26 Ca -0.06 -3.83 -0.42 0.00 -0.92 0.00 0.00 57.85 52.61 1nfa n ARG 26 Cb 0.45 -2.82 -0.03 0.00 0.45 0.00 0.00 32.46 30.51 1nfa n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nfa s ALA 27 N -0.40 3.62 1.09 5.13 0.00 -1.26 -4.97 121.76 124.97 1nfa s ALA 27 Ca 0.37 0.96 -0.19 0.00 0.00 0.00 0.00 51.96 53.11 1nfa s ALA 27 Cb 0.07 -3.66 0.09 0.00 0.00 0.00 0.00 23.12 19.62 1nfa s ALA 27 CO 0.03 -1.11 -0.11 -2.39 0.00 0.00 0.00 175.76 172.18 1nfa n HIS 28 N 5.96 -1.64 0.05 0.00 1.44 -1.26 -4.73 115.22 115.04 1nfa n HIS 28 Ca 0.15 0.16 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 1nfa n HIS 28 Cb 0.43 -1.49 0.00 0.00 0.12 0.00 0.00 29.99 29.04 1nfa n HIS 28 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1nfa n TYR 29 N -4.35 -0.83 0.00 -1.40 4.02 -1.26 -4.19 117.16 109.15 1nfa n TYR 29 Ca 0.02 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 1nfa n TYR 29 Cb 0.58 0.46 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 1nfa n TYR 29 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1nfa n GLU 30 N -2.92 0.00 -3.08 -0.72 1.02 -1.26 -4.78 120.64 108.90 1nfa n GLU 30 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1nfa n GLU 30 Cb 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.43 1nfa n GLU 30 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1nfa n THR 31 N -0.29 -0.46 -2.87 2.62 5.66 -1.26 -4.97 114.28 112.72 1nfa n THR 31 Ca 0.00 -3.48 -0.15 0.00 -3.05 0.00 0.00 64.05 57.37 1nfa n THR 31 Cb 0.00 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 1nfa n THR 31 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1nfa n GLU 32 N 1.27 1.38 0.00 1.09 0.28 -1.26 -5.09 120.64 118.30 1nfa n GLU 32 Ca 0.18 -3.49 0.00 0.00 -0.16 0.00 0.00 57.16 53.69 1nfa n GLU 32 Cb 0.57 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.89 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 0.03 0.10 2.69 -1.84 0.00 -1.26 -4.88 105.19 100.03 1nfa n GLY 33 Ca 0.19 -1.44 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 1.67 0.01 1.61 0.15 -1.26 -5.03 113.70 110.85 1nfa s SER 34 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1nfa s SER 34 Cb 0.00 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1nfa s SER 34 CO 0.00 -0.26 0.00 -2.11 1.20 0.00 0.00 173.24 172.07 1nfa n ARG 35 N 5.23 0.00 -3.01 5.44 1.85 -1.26 -4.77 116.66 120.14 1nfa n ARG 35 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.77 1nfa n ARG 35 Cb 0.50 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.92 1nfa n ARG 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nfa n GLY 36 N 0.00 -1.17 3.09 2.89 0.00 -1.26 -4.90 105.19 103.84 1nfa n GLY 36 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 1nfa n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfa n ALA 37 N -1.98 -3.48 -1.58 4.61 0.00 -1.26 -4.61 120.51 112.22 1nfa n ALA 37 Ca -0.01 -1.19 -0.48 0.00 0.00 0.00 0.00 53.44 51.76 1nfa n ALA 37 Cb 0.52 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 1nfa n ALA 37 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1nfa n VAL 38 N -3.99 0.38 -3.60 0.00 3.14 -1.26 -4.91 118.33 108.09 1nfa n VAL 38 Ca 0.00 -0.26 -0.29 0.00 -2.96 0.00 0.00 64.34 60.83 1nfa n VAL 38 Cb 0.58 -1.99 -0.15 0.00 -1.06 0.00 0.00 33.84 31.22 1nfa n VAL 38 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1nfa s LYS 39 N 5.47 0.38 0.00 1.45 -2.85 -1.26 -4.87 119.74 118.06 1nfa s LYS 39 Ca 1.01 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 1nfa s LYS 39 Cb -0.65 -1.44 0.00 0.00 -2.06 0.00 0.00 37.83 33.67 1nfa s LYS 39 CO 0.46 -1.02 0.00 0.00 0.10 0.00 0.00 175.35 174.89 1nfa n ALA 40 N 5.05 0.00 -0.25 0.59 0.00 -0.82 -5.04 120.51 120.04 1nfa n ALA 40 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1nfa n ALA 40 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1nfa n ALA 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nfa n SER 41 N 0.00 0.00 -3.91 0.00 2.88 -1.22 -4.16 113.62 107.21 1nfa n SER 41 Ca 0.00 0.63 -0.43 0.00 -1.33 0.00 0.00 58.87 57.74 1nfa n SER 41 Cb 0.00 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.09 1nfa n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nfa n ALA 42 N -1.63 5.37 -0.25 -1.46 0.00 -1.26 -4.88 120.51 116.40 1nfa n ALA 42 Ca 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 53.44 48.82 1nfa n ALA 42 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 1.69 1.87 0.00 0.00 0.00 -1.26 -3.77 105.19 103.72 1nfa n GLY 43 Ca 0.33 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.17 3.95 -0.02 0.00 -1.26 -1.95 105.19 106.08 1nfa n GLY 44 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1nfa n GLY 44 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nfa s HIS 45 N -0.92 3.40 0.69 1.61 3.76 -1.25 -4.60 115.29 117.98 1nfa s HIS 45 Ca 0.00 -0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.75 1nfa s HIS 45 Cb 0.00 -1.57 0.16 0.00 1.11 0.00 0.00 32.58 32.28 1nfa s HIS 45 CO 0.00 0.43 0.88 -0.35 -0.85 0.00 0.00 174.74 174.85 1nfa n PRO 46 N -1.39 -1.10 -3.40 8.40 -0.04 -1.26 -4.77 135.00 131.44 1nfa n PRO 46 Ca -0.09 -1.37 -0.25 0.00 -0.04 0.00 0.00 63.50 61.75 1nfa n PRO 46 Cb 0.57 -0.95 -0.02 0.00 -0.04 0.00 0.00 33.50 33.06 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 -2.89 5.10 -0.02 0.52 -1.09 -1.16 -4.01 121.20 117.65 1nfa s ILE 47 Ca 0.51 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.62 1nfa s ILE 47 Cb -0.02 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1nfa s ILE 47 CO 0.36 -0.46 -0.06 -0.69 -1.23 0.00 0.00 174.94 172.86 1nfa s VAL 48 N -2.21 0.54 -0.10 2.92 1.01 -1.20 -3.15 120.40 118.21 1nfa s VAL 48 Ca 0.41 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1nfa s VAL 48 Cb -0.10 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.82 1nfa s VAL 48 CO 0.34 0.18 0.40 -1.58 0.00 0.00 0.00 175.10 174.44 1nfa s GLN 49 N 0.26 0.59 -0.07 2.72 0.74 -1.25 -2.27 119.66 120.38 1nfa s GLN 49 Ca -0.03 0.28 0.02 0.00 0.05 0.00 0.00 55.36 55.68 1nfa s GLN 49 Cb -0.07 0.28 -0.03 0.00 1.10 0.00 0.00 33.01 34.29 1nfa s GLN 49 CO -0.00 -0.12 -0.12 -1.17 -0.55 0.00 0.00 175.29 173.32 1nfa s LEU 50 N -0.44 2.84 -0.41 3.68 0.20 -1.26 -4.08 118.68 119.22 1nfa s LEU 50 Ca -0.06 -0.17 0.05 0.00 0.69 0.00 0.00 54.13 54.64 1nfa s LEU 50 Cb -0.03 -1.59 0.19 0.00 -0.43 0.00 0.00 46.19 44.32 1nfa s LEU 50 CO 0.03 0.32 0.38 1.41 -0.29 0.00 0.00 176.35 178.20 1nfa n HIS 51 N 2.47 -0.88 -2.70 5.38 8.25 -1.06 -4.86 115.22 121.83 1nfa n HIS 51 Ca -0.17 -3.32 -0.01 0.00 -0.26 0.00 0.00 57.72 53.95 1nfa n HIS 51 Cb 0.52 0.16 0.02 0.00 1.12 0.00 0.00 29.99 31.82 1nfa n HIS 51 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1nfa s GLY 52 N -0.19 -1.78 0.00 -1.41 0.00 -1.26 -3.11 107.32 99.56 1nfa s GLY 52 Ca 0.33 0.98 0.00 0.00 0.00 0.00 0.00 44.72 46.04 1nfa s GLY 52 CO -0.18 4.35 0.00 2.98 0.00 0.00 0.00 173.10 180.25 1nfa n TYR 53 N 3.07 0.00 0.72 1.90 9.36 -1.26 -4.71 117.16 126.24 1nfa n TYR 53 Ca 0.08 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.38 1nfa n TYR 53 Cb 0.65 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.26 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 0.72 -4.84 2.98 4.77 -1.26 -4.81 117.00 114.56 1nfa n LEU 54 Ca 0.00 -0.46 -0.35 0.00 -0.03 0.00 0.00 56.01 55.17 1nfa n LEU 54 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1nfa n LEU 54 CO 0.00 0.18 0.26 -1.61 -1.33 0.00 0.00 177.39 174.89 1nfa s GLU 55 N -2.63 4.00 -0.90 3.23 2.02 -1.26 -5.00 118.70 118.16 1nfa s GLU 55 Ca 0.05 0.52 -0.00 0.00 0.02 0.00 0.00 54.97 55.56 1nfa s GLU 55 Cb 0.13 -2.90 0.34 0.00 0.10 0.00 0.00 34.13 31.79 1nfa s GLU 55 CO 0.69 0.46 1.72 0.27 0.02 0.00 0.00 175.26 178.42 1nfa n ASN 56 N 0.72 6.89 -4.69 -0.19 0.23 -1.26 -4.73 115.26 112.23 1nfa n ASN 56 Ca -0.05 -3.73 -0.25 0.00 -0.53 0.00 0.00 54.58 50.03 1nfa n ASN 56 Cb 0.52 -1.03 -0.07 0.00 -2.08 0.00 0.00 39.78 37.12 1nfa n ASN 56 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1nfa s GLU 57 N -4.12 2.50 0.04 -3.83 2.02 -1.26 -5.09 118.70 108.96 1nfa s GLU 57 Ca 0.44 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 1nfa s GLU 57 Cb 0.27 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 1nfa s GLU 57 CO -0.20 0.43 1.04 -1.25 0.02 0.00 0.00 175.26 175.30 1nfa s PRO 58 N -3.23 4.55 0.22 0.39 0.04 -1.26 -4.56 135.00 131.15 1nfa s PRO 58 Ca 0.29 1.53 0.05 0.00 0.04 0.00 0.00 61.00 62.92 1nfa s PRO 58 Cb -0.09 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 1nfa s PRO 58 CO 0.20 -0.05 -0.07 -0.51 0.04 0.00 0.00 177.00 176.61 1nfa s LEU 59 N 0.78 2.42 -0.16 -3.56 1.43 -0.77 -4.94 118.68 113.88 1nfa s LEU 59 Ca 0.53 -1.12 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 1nfa s LEU 59 Cb -0.24 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1nfa s LEU 59 CO 0.29 -0.35 0.02 -0.04 0.23 0.00 0.00 176.35 176.50 1nfa s MET 60 N -3.75 3.73 0.08 1.70 -1.94 -1.26 -0.53 119.30 117.32 1nfa s MET 60 Ca 0.25 -0.40 -0.17 0.00 -1.71 0.00 0.00 55.69 53.65 1nfa s MET 60 Cb 0.03 -3.06 -0.07 0.00 2.01 0.00 0.00 34.83 33.75 1nfa s MET 60 CO 0.07 0.34 0.53 -1.17 -0.01 0.00 0.00 175.02 174.78 1nfa s LEU 61 N 0.15 4.47 -1.02 -0.03 0.20 -0.64 -4.43 118.68 117.39 1nfa s LEU 61 Ca 0.02 1.16 -0.05 0.00 0.69 0.00 0.00 54.13 55.96 1nfa s LEU 61 Cb -0.13 -2.94 0.26 0.00 -0.43 0.00 0.00 46.19 42.96 1nfa s LEU 61 CO 0.01 0.24 1.04 1.67 -0.29 0.00 0.00 176.35 179.02 1nfa n GLN 62 N 1.50 3.32 -3.87 1.98 0.00 -1.08 -3.04 117.38 116.19 1nfa n GLN 62 Ca -0.10 -4.49 -0.36 0.00 -0.00 0.00 0.00 57.00 52.05 1nfa n GLN 62 Cb 0.51 -2.48 -0.07 0.00 0.00 0.00 0.00 30.24 28.20 1nfa n GLN 62 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1nfa s LEU 63 N -1.61 4.21 0.03 1.69 2.96 -1.12 -3.66 118.68 121.18 1nfa s LEU 63 Ca 0.30 0.32 -0.27 0.00 -0.22 0.00 0.00 54.13 54.25 1nfa s LEU 63 Cb -0.06 -2.05 0.09 0.00 0.50 0.00 0.00 46.19 44.68 1nfa s LEU 63 CO -0.07 0.30 0.82 0.12 -1.32 0.00 0.00 176.35 176.20 1nfa s PHE 64 N -0.35 -0.40 -0.18 5.38 2.19 -1.23 -0.83 117.98 122.56 1nfa s PHE 64 Ca 0.11 0.26 -0.03 0.00 0.33 0.00 0.00 56.93 57.60 1nfa s PHE 64 Cb -0.12 0.54 -0.02 0.00 -1.31 0.00 0.00 43.02 42.12 1nfa s PHE 64 CO 0.01 -0.61 -0.05 -1.50 1.83 0.00 0.00 175.22 174.90 1nfa s ILE 65 N -3.20 3.57 -0.05 3.12 1.10 -1.26 -1.65 121.20 122.83 1nfa s ILE 65 Ca 0.04 -0.45 -0.07 0.00 -0.51 0.00 0.00 60.65 59.66 1nfa s ILE 65 Cb -0.01 -2.59 0.01 0.00 0.15 0.00 0.00 42.46 40.03 1nfa s ILE 65 CO -0.10 0.46 0.18 -0.83 -2.11 0.00 0.00 174.94 172.54 1nfa s GLY 66 N 0.87 -0.10 1.30 1.50 0.00 -0.69 -3.97 107.32 106.24 1nfa s GLY 66 Ca -0.01 0.37 -0.21 0.00 0.00 0.00 0.00 44.72 44.87 1nfa s GLY 66 CO 0.01 0.28 1.04 -0.51 0.00 0.00 0.00 173.10 173.92 1nfa s THR 67 N -0.26 1.41 -0.29 0.90 -4.23 -0.81 -0.30 115.64 112.05 1nfa s THR 67 Ca -0.04 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 1nfa s THR 67 Cb -0.03 -2.33 0.16 0.00 1.34 0.00 0.00 72.50 71.64 1nfa s THR 67 CO 0.01 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.09 1nfa s ALA 68 N -2.73 -2.50 -0.02 3.99 0.00 -1.26 -2.24 121.76 116.98 1nfa s ALA 68 Ca 0.70 2.12 -0.07 0.00 0.00 0.00 0.00 51.96 54.71 1nfa s ALA 68 Cb -0.10 -1.89 -0.30 0.00 0.00 0.00 0.00 23.12 20.84 1nfa s ALA 68 CO 0.57 -0.63 0.76 0.22 0.00 0.00 0.00 175.76 176.68 1nfa h ASP 69 N 6.68 0.52 0.00 0.00 3.58 -1.96 -3.46 116.42 121.78 1nfa h ASP 69 Ca -0.22 -0.75 0.00 0.00 0.42 0.00 0.00 57.03 56.47 1nfa h ASP 69 Cb 1.15 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1nfa h ASP 69 CO 0.14 1.63 0.00 -0.67 -2.88 0.00 0.00 179.24 177.47 1nfa n ASP 70 N -3.53 -0.18 0.00 2.28 -0.08 -1.26 -5.06 116.55 108.72 1nfa n ASP 70 Ca -0.21 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 1nfa n ASP 70 Cb 1.06 0.33 0.00 0.00 2.34 0.00 0.00 41.12 44.86 1nfa n ASP 70 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1nfa n ARG 71 N -3.14 0.00 -1.52 -0.67 3.00 -1.26 -5.02 116.66 108.04 1nfa n ARG 71 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 1nfa n ARG 71 Cb 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 32.46 32.29 1nfa n ARG 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1nfa n LEU 72 N -2.26 0.54 -4.14 6.15 4.77 -1.26 -4.87 117.00 115.94 1nfa n LEU 72 Ca 0.00 -1.22 -0.30 0.00 -0.03 0.00 0.00 56.01 54.46 1nfa n LEU 72 Cb 0.00 -1.25 0.13 0.00 -2.33 0.00 0.00 43.42 39.97 1nfa n LEU 72 CO 0.00 -2.25 -0.85 0.00 -1.33 0.00 0.00 177.39 172.96 1nfa n LEU 73 N 13.84 -2.33 -3.67 2.23 -0.00 -1.26 -4.63 117.00 121.18 1nfa n LEU 73 Ca 0.53 -0.14 -0.04 0.00 -0.00 0.00 0.00 56.01 56.35 1nfa n LEU 73 Cb 0.33 -0.78 -0.01 0.00 -0.00 0.00 0.00 43.42 42.96 1nfa n LEU 73 CO 0.74 -2.91 0.79 0.00 -0.00 0.00 0.00 177.39 176.00 1nfa s ARG 74 N -3.02 0.91 0.34 1.47 1.70 -0.95 -4.96 118.95 114.44 1nfa s ARG 74 Ca 0.45 -0.47 -0.27 0.00 -0.47 0.00 0.00 55.73 54.97 1nfa s ARG 74 Cb -0.04 0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 34.58 1nfa s ARG 74 CO 0.58 -0.41 1.09 -1.25 -1.08 0.00 0.00 175.30 174.22 1nfa s PRO 75 N -3.04 4.39 0.49 3.89 0.04 -1.26 -1.93 135.00 137.58 1nfa s PRO 75 Ca 0.11 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 62.65 1nfa s PRO 75 Cb -0.00 -2.89 -0.09 0.00 0.04 0.00 0.00 34.50 31.56 1nfa s PRO 75 CO -0.02 0.01 0.77 1.58 0.04 0.00 0.00 177.00 179.38 1nfa n HIS 76 N 0.59 0.24 0.45 0.56 -0.00 -1.25 -4.28 115.22 111.53 1nfa n HIS 76 Ca 0.02 0.52 -0.18 0.00 0.46 0.00 0.00 57.72 58.53 1nfa n HIS 76 Cb 0.47 -2.09 -0.09 0.00 -0.12 0.00 0.00 29.99 28.16 1nfa n HIS 76 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nfa h ALA 77 N 0.84 -1.16 0.00 1.57 0.00 -1.95 -3.40 119.26 115.16 1nfa h ALA 77 Ca -0.44 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1nfa h ALA 77 Cb 1.37 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1nfa h ALA 77 CO 0.52 -1.10 0.00 1.19 0.00 0.00 0.00 179.25 179.86 1nfa n PHE 78 N -5.56 0.00 -3.32 0.00 3.72 -1.26 -5.00 117.46 106.04 1nfa n PHE 78 Ca -0.15 -0.04 -0.45 0.00 -0.05 0.00 0.00 57.45 56.77 1nfa n PHE 78 Cb 0.46 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.93 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 -0.07 3.21 0.00 1.38 2.02 -1.26 -4.63 117.35 117.99 1nfa s TYR 79 Ca 0.00 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 1nfa s TYR 79 Cb 0.00 -3.47 0.00 0.00 -0.40 0.00 0.00 41.96 38.09 1nfa s TYR 79 CO 0.00 -0.93 0.41 0.00 -1.57 0.00 0.00 175.55 173.46 1nfa n GLN 80 N 5.40 0.11 -1.15 -0.62 -0.00 -1.26 -4.54 117.38 115.33 1nfa n GLN 80 Ca -0.12 -0.43 -0.32 0.00 -0.00 0.00 0.00 57.00 56.13 1nfa n GLN 80 Cb 0.43 -0.53 0.11 0.00 -0.00 0.00 0.00 30.24 30.25 1nfa n GLN 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1nfa s VAL 81 N -0.04 2.58 -0.32 -0.39 -7.23 -1.26 -4.69 120.40 109.04 1nfa s VAL 81 Ca 0.00 0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 60.30 1nfa s VAL 81 Cb 0.00 -2.56 0.19 0.00 0.56 0.00 0.00 36.38 34.57 1nfa s VAL 81 CO 0.00 -0.21 1.05 -2.28 -0.31 0.00 0.00 175.10 173.35 1nfa s HIS 82 N -2.51 -0.36 0.05 2.82 5.04 -1.26 -4.47 115.29 114.60 1nfa s HIS 82 Ca 0.67 0.06 0.08 0.00 -1.54 0.00 0.00 55.06 54.34 1nfa s HIS 82 Cb -0.23 0.07 -0.03 0.00 0.04 0.00 0.00 32.58 32.43 1nfa s HIS 82 CO 0.52 -0.24 -0.23 -0.98 -2.34 0.00 0.00 174.74 171.46 1nfa s ARG 83 N 2.02 1.57 -0.19 2.88 3.03 -1.26 -4.98 118.95 122.03 1nfa s ARG 83 Ca 0.15 -1.02 -0.04 0.00 2.03 0.00 0.00 55.73 56.85 1nfa s ARG 83 Cb 0.03 -1.72 -0.02 0.00 -1.03 0.00 0.00 34.95 32.21 1nfa s ARG 83 CO -0.15 0.44 -0.04 0.42 -1.13 0.00 0.00 175.30 174.84 1nfa s ILE 84 N -0.81 3.64 0.00 4.99 1.09 -1.25 -3.90 121.20 124.96 1nfa s ILE 84 Ca 0.09 -0.43 0.00 0.00 -1.10 0.00 0.00 60.65 59.22 1nfa s ILE 84 Cb -0.09 -2.62 0.00 0.00 -1.06 0.00 0.00 42.46 38.69 1nfa s ILE 84 CO 0.02 0.45 0.00 0.35 -0.10 0.00 0.00 174.94 175.66 1nfa n THR 85 N 4.16 0.00 -0.05 2.92 -2.24 -1.26 -4.98 114.28 112.84 1nfa n THR 85 Ca -0.18 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1nfa n THR 85 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 1nfa n THR 85 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1nfa h GLY 86 N 0.00 -2.36 -5.13 3.38 0.00 -1.97 -3.34 103.07 93.65 1nfa h GLY 86 Ca 0.00 1.07 -0.57 0.00 0.00 0.00 0.00 47.33 47.83 1nfa h GLY 86 CO 0.00 -0.86 0.90 1.25 0.00 0.00 0.00 176.54 177.84 1nfa s LYS 87 N -3.34 4.24 -0.06 4.80 2.20 -1.26 -5.01 119.74 121.31 1nfa s LYS 87 Ca -0.02 1.70 0.05 0.00 -0.36 0.00 0.00 55.97 57.34 1nfa s LYS 87 Cb 0.01 -3.77 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1nfa s LYS 87 CO 0.08 -0.70 -0.22 0.95 -0.36 0.00 0.00 175.35 175.10 1nfa s THR 88 N 3.46 2.35 -0.22 3.43 -4.23 -1.26 -4.82 115.64 114.35 1nfa s THR 88 Ca 0.56 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 60.06 1nfa s THR 88 Cb -0.23 -1.88 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 1nfa s THR 88 CO 0.16 0.57 -0.03 0.54 -0.54 0.00 0.00 174.62 175.32 1nfa s VAL 89 N -0.28 3.53 -0.24 2.29 0.11 -1.26 -4.97 120.40 119.58 1nfa s VAL 89 Ca 0.00 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 1nfa s VAL 89 Cb -0.13 -2.61 0.30 0.00 -1.53 0.00 0.00 36.38 32.42 1nfa s VAL 89 CO 0.03 0.42 1.55 -1.20 -3.33 0.00 0.00 175.10 172.56 1nfa n SER 90 N 4.71 3.95 0.00 3.54 7.64 -1.26 -4.57 113.62 127.62 1nfa n SER 90 Ca -0.18 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1nfa n SER 90 Cb 0.51 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1nfa n SER 90 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nfa n THR 91 N -0.17 0.00 -2.70 0.44 -1.04 -1.26 -5.06 114.28 104.49 1nfa n THR 91 Ca 0.29 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.28 1nfa n THR 91 Cb 0.97 -0.27 0.03 0.00 -1.82 0.00 0.00 70.33 69.24 1nfa n THR 91 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nfa s THR 92 N 0.07 -0.27 0.26 12.58 2.01 -1.26 -5.07 115.64 123.95 1nfa s THR 92 Ca 0.00 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 61.84 1nfa s THR 92 Cb 0.00 0.00 -0.03 0.00 0.01 0.00 0.00 72.50 72.48 1nfa s THR 92 CO 0.00 0.00 0.34 -0.94 -0.69 0.00 0.00 174.62 173.33 1nfa s SER 93 N 1.17 6.06 0.15 3.53 1.04 -1.26 -3.37 113.70 121.00 1nfa s SER 93 Ca 0.22 -0.06 -0.18 0.00 0.48 0.00 0.00 55.95 56.41 1nfa s SER 93 Cb 0.10 -1.63 0.04 0.00 0.10 0.00 0.00 66.02 64.63 1nfa s SER 93 CO -0.11 -0.13 0.47 -1.00 0.98 0.00 0.00 173.24 173.45 1nfa s HIS 94 N -2.06 -0.27 0.06 5.02 3.76 -0.90 -4.95 115.29 115.96 1nfa s HIS 94 Ca 0.36 -0.03 0.04 0.00 -0.15 0.00 0.00 55.06 55.27 1nfa s HIS 94 Cb -0.09 0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.93 1nfa s HIS 94 CO 0.28 -0.78 -0.11 -1.21 -0.85 0.00 0.00 174.74 172.07 1nfa s GLU 95 N -3.80 0.72 -0.21 1.40 8.01 -1.26 -2.74 118.70 120.81 1nfa s GLU 95 Ca 0.04 -0.91 -0.09 0.00 0.01 0.00 0.00 54.97 54.02 1nfa s GLU 95 Cb 0.01 -0.60 0.08 0.00 -4.31 0.00 0.00 34.13 29.31 1nfa s GLU 95 CO -0.10 0.12 0.48 0.00 0.01 0.00 0.00 175.26 175.77 1nfa s ALA 96 N -1.45 -1.32 -0.09 5.21 0.00 -1.13 -4.99 121.76 117.99 1nfa s ALA 96 Ca -0.04 1.72 0.04 0.00 0.00 0.00 0.00 51.96 53.69 1nfa s ALA 96 Cb -0.09 -1.27 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 1nfa s ALA 96 CO 0.01 -0.59 -0.23 -1.50 0.00 0.00 0.00 175.76 173.45 1nfa s ILE 97 N 2.17 2.14 -0.56 0.00 -1.16 -1.26 -1.46 121.20 121.08 1nfa s ILE 97 Ca -0.06 -1.00 0.07 0.00 -0.51 0.00 0.00 60.65 59.15 1nfa s ILE 97 Cb -0.10 -1.81 0.26 0.00 0.61 0.00 0.00 42.46 41.42 1nfa s ILE 97 CO -0.14 0.56 0.71 0.00 -2.81 0.00 0.00 174.94 173.25 1nfa n LEU 98 N 3.34 2.78 -1.71 8.50 -0.00 -1.08 -4.93 117.00 123.90 1nfa n LEU 98 Ca -0.18 -5.25 -0.00 0.00 -0.00 0.00 0.00 56.01 50.57 1nfa n LEU 98 Cb 0.53 -0.26 -0.00 0.00 -0.00 0.00 0.00 43.42 43.68 1nfa n LEU 98 CO 0.27 2.10 -0.10 -1.20 -0.00 0.00 0.00 177.39 178.46 1nfa n SER 99 N 0.87 -2.56 -4.08 1.45 7.64 -1.26 -4.44 113.62 111.24 1nfa n SER 99 Ca 0.28 0.26 -0.36 0.00 1.01 0.00 0.00 58.87 60.05 1nfa n SER 99 Cb 0.45 -1.79 -0.02 0.00 -1.01 0.00 0.00 64.21 61.83 1nfa n SER 99 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1nfa n ASN 100 N 0.20 -2.02 -2.78 6.43 6.94 -1.26 -4.90 115.26 117.87 1nfa n ASN 100 Ca -0.03 -1.21 -0.04 0.00 -0.02 0.00 0.00 54.58 53.28 1nfa n ASN 100 Cb 0.05 -2.10 0.01 0.00 -2.36 0.00 0.00 39.78 35.38 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 -3.87 -1.00 -0.03 5.53 2.01 -1.26 -4.84 115.64 112.18 1nfa s THR 101 Ca 0.25 -0.95 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 1nfa s THR 101 Cb -0.13 0.00 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 1nfa s THR 101 CO 0.95 0.00 0.75 -0.54 -0.69 0.00 0.00 174.62 175.09 1nfa s LYS 102 N 0.91 4.46 0.25 4.92 -0.14 -1.26 -2.63 119.74 126.25 1nfa s LYS 102 Ca 0.29 0.99 0.04 0.00 -1.36 0.00 0.00 55.97 55.93 1nfa s LYS 102 Cb -0.00 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 1nfa s LYS 102 CO -0.05 0.11 -0.01 0.08 -0.76 0.00 0.00 175.35 174.72 1nfa s VAL 103 N 0.60 1.20 0.00 3.17 1.01 -0.53 -4.63 120.40 121.22 1nfa s VAL 103 Ca 0.39 -2.05 0.08 0.00 0.00 0.00 0.00 61.98 60.41 1nfa s VAL 103 Cb -0.19 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1nfa s VAL 103 CO 0.20 -0.29 -0.26 -0.22 0.00 0.00 0.00 175.10 174.54 1nfa s LEU 104 N -3.36 2.09 -0.09 3.92 0.20 -0.01 -2.84 118.68 118.59 1nfa s LEU 104 Ca 0.29 -0.51 -0.02 0.00 0.69 0.00 0.00 54.13 54.58 1nfa s LEU 104 Cb 0.05 -1.31 0.04 0.00 -0.43 0.00 0.00 46.19 44.54 1nfa s LEU 104 CO 0.10 0.29 0.04 -1.83 -0.29 0.00 0.00 176.35 174.66 1nfa s GLU 105 N -0.85 0.32 -0.38 1.98 -1.05 -1.11 -2.79 118.70 114.82 1nfa s GLU 105 Ca 0.11 0.09 0.02 0.00 -0.15 0.00 0.00 54.97 55.04 1nfa s GLU 105 Cb -0.10 -1.12 0.11 0.00 -0.44 0.00 0.00 34.13 32.58 1nfa s GLU 105 CO 0.00 -0.42 0.12 0.42 0.95 0.00 0.00 175.26 176.33 1nfa s ILE 106 N 2.04 2.59 -0.77 1.83 1.01 -1.17 -2.11 121.20 124.63 1nfa s ILE 106 Ca 0.04 -2.38 -0.26 0.00 0.00 0.00 0.00 60.65 58.04 1nfa s ILE 106 Cb -0.13 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.49 1nfa s ILE 106 CO -0.06 -0.65 1.50 -2.16 0.00 0.00 0.00 174.94 173.58 1nfa s PRO 107 N 0.82 3.07 0.15 2.79 0.04 -1.22 -1.62 135.00 139.04 1nfa s PRO 107 Ca 0.11 -0.18 -0.06 0.00 0.04 0.00 0.00 61.00 60.91 1nfa s PRO 107 Cb -0.21 -4.49 -0.02 0.00 0.04 0.00 0.00 34.50 29.83 1nfa s PRO 107 CO -0.06 -2.40 0.21 -0.48 0.04 0.00 0.00 177.00 174.31 1nfa s LEU 108 N 6.76 1.22 -0.77 -3.56 2.34 0.31 -4.80 118.68 120.18 1nfa s LEU 108 Ca 0.47 -0.98 0.01 0.00 0.06 0.00 0.00 54.13 53.70 1nfa s LEU 108 Cb -0.08 0.90 0.19 0.00 -0.56 0.00 0.00 46.19 46.64 1nfa s LEU 108 CO 0.11 -0.84 0.60 -1.48 -1.06 0.00 0.00 176.35 173.68 1nfa s LEU 109 N -2.99 5.15 -0.04 1.48 0.05 -1.26 -1.85 118.68 119.21 1nfa s LEU 109 Ca 0.19 -3.69 -0.02 0.00 0.05 0.00 0.00 54.13 50.67 1nfa s LEU 109 Cb 0.05 -1.77 -0.04 0.00 -2.05 0.00 0.00 46.19 42.37 1nfa s LEU 109 CO 0.01 -0.15 2.40 -0.81 -0.55 0.00 0.00 176.35 177.24 1nfa n PRO 110 N 2.29 1.33 -1.18 1.48 -0.04 -1.26 -4.37 135.00 133.25 1nfa n PRO 110 Ca 0.19 -0.41 -0.20 0.00 -0.04 0.00 0.00 63.50 63.04 1nfa n PRO 110 Cb 0.36 -1.31 0.21 0.00 -0.04 0.00 0.00 33.50 32.72 1nfa n PRO 110 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nfa n GLU 111 N 1.63 2.56 0.00 0.54 -0.58 -1.26 -4.62 120.64 118.91 1nfa n GLU 111 Ca 0.13 -3.03 0.00 0.00 -0.42 0.00 0.00 57.16 53.84 1nfa n GLU 111 Cb 0.60 -2.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 1nfa n GLU 111 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1nfa n ASN 112 N -0.94 0.00 0.00 1.62 6.94 -1.26 -4.82 115.26 116.80 1nfa n ASN 112 Ca 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.12 1nfa n ASN 112 Cb 1.61 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 39.03 1nfa n ASN 112 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1nfa n SER 113 N -2.45 0.00 -3.64 0.53 2.88 -1.26 -5.10 113.62 104.57 1nfa n SER 113 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1nfa n SER 113 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1nfa n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nfa s MET 114 N 0.00 0.58 -0.15 -1.46 0.23 -1.26 -5.13 119.30 112.11 1nfa s MET 114 Ca 0.00 0.96 -0.05 0.00 -1.03 0.00 0.00 55.69 55.57 1nfa s MET 114 Cb 0.00 0.14 -0.03 0.00 -1.53 0.00 0.00 34.83 33.40 1nfa s MET 114 CO 0.00 -0.12 0.01 0.50 -2.03 0.00 0.00 175.02 173.38 1nfa s ARG 115 N 1.38 3.68 -0.36 3.16 3.52 -1.26 -4.57 118.95 124.49 1nfa s ARG 115 Ca -0.08 -0.43 -0.00 0.00 -0.13 0.00 0.00 55.73 55.08 1nfa s ARG 115 Cb -0.04 -3.01 0.10 0.00 -1.56 0.00 0.00 34.95 30.43 1nfa s ARG 115 CO -0.16 0.33 0.11 0.00 -0.81 0.00 0.00 175.30 174.77 1nfa s ALA 116 N 0.15 2.99 -0.08 6.12 0.00 -0.96 -5.03 121.76 124.94 1nfa s ALA 116 Ca 0.01 -2.39 -0.29 0.00 0.00 0.00 0.00 51.96 49.30 1nfa s ALA 116 Cb -0.13 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1nfa s ALA 116 CO 0.02 -1.66 0.95 0.14 0.00 0.00 0.00 175.76 175.21 1nfa s VAL 117 N 1.07 4.84 -0.30 0.00 -7.23 -1.26 -3.26 120.40 114.27 1nfa s VAL 117 Ca 0.06 1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 62.11 1nfa s VAL 117 Cb -0.21 -4.27 0.01 0.00 0.56 0.00 0.00 36.38 32.46 1nfa s VAL 117 CO -0.05 0.08 0.09 -0.63 -0.31 0.00 0.00 175.10 174.28 1nfa s ILE 118 N 1.62 4.09 -0.41 -0.62 1.01 -1.26 -4.93 121.20 120.70 1nfa s ILE 118 Ca 0.47 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.58 1nfa s ILE 118 Cb -0.19 -3.10 0.38 0.00 0.01 0.00 0.00 42.46 39.55 1nfa s ILE 118 CO 0.20 0.08 1.21 0.47 0.00 0.00 0.00 174.94 176.91 1nfa n ASP 119 N 4.89 -1.53 -3.00 3.58 9.92 -1.26 -4.15 116.55 124.99 1nfa n ASP 119 Ca -0.14 -2.87 -0.15 0.00 -0.53 0.00 0.00 54.79 51.09 1nfa n ASP 119 Cb 0.48 1.03 -0.00 0.00 -0.64 0.00 0.00 41.12 41.99 1nfa n ASP 119 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nfa s ALA 121 N -2.35 0.97 0.22 0.00 0.00 -1.25 -3.75 121.76 115.61 1nfa s ALA 121 Ca 0.35 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.79 1nfa s ALA 121 Cb 0.38 1.08 -0.02 0.00 0.00 0.00 0.00 23.12 24.56 1nfa s ALA 121 CO -0.05 -0.53 0.16 0.41 0.00 0.00 0.00 175.76 175.75 1nfa n GLY 122 N -0.17 3.39 3.71 0.00 0.00 -1.26 -4.92 105.19 105.94 1nfa n GLY 122 Ca -0.02 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.76 2.01 0.16 -0.61 -4.36 -1.26 -4.51 121.20 109.86 1nfa s ILE 123 Ca 0.22 -1.82 0.06 0.00 -0.26 0.00 0.00 60.65 58.85 1nfa s ILE 123 Cb 0.01 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.85 1nfa s ILE 123 CO 0.16 0.00 -0.13 -0.22 0.24 0.00 0.00 174.94 174.98 1nfa s LEU 124 N -3.86 2.49 0.20 0.37 2.96 -1.26 -4.87 118.68 114.70 1nfa s LEU 124 Ca 0.34 -0.93 0.09 0.00 -0.22 0.00 0.00 54.13 53.40 1nfa s LEU 124 Cb 0.05 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 1nfa s LEU 124 CO 0.18 -0.20 -0.05 -1.59 -1.32 0.00 0.00 176.35 173.38 1nfa s LYS 125 N -3.26 2.19 0.00 1.98 0.00 -1.26 -4.67 119.74 114.72 1nfa s LYS 125 Ca 0.15 -1.26 0.00 0.00 0.00 0.00 0.00 55.97 54.87 1nfa s LYS 125 Cb -0.02 -2.21 0.00 0.00 0.00 0.00 0.00 37.83 35.60 1nfa s LYS 125 CO 0.04 0.43 0.00 -0.11 0.00 0.00 0.00 175.35 175.70 1nfa n LEU 126 N -0.19 0.00 0.00 2.77 7.94 -1.26 -5.02 117.00 121.25 1nfa n LEU 126 Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 1nfa n LEU 126 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1nfa n LEU 126 CO 0.37 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.51 1nfa n ARG 127 N 0.00 0.00 -4.01 1.96 0.63 -1.26 -5.02 116.66 108.97 1nfa n ARG 127 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 1nfa n ARG 127 Cb 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.75 1nfa n ARG 127 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1nfa s ASN 128 N -3.38 3.66 -0.10 6.15 2.47 -1.26 -5.06 114.94 117.43 1nfa s ASN 128 Ca 0.00 -1.02 -0.28 0.00 0.42 0.00 0.00 52.86 51.97 1nfa s ASN 128 Cb 0.00 -1.30 -0.02 0.00 -1.45 0.00 0.00 41.25 38.49 1nfa s ASN 128 CO 0.00 -0.16 0.95 -0.94 -3.72 0.00 0.00 177.10 173.23 1nfa s SER 129 N 1.33 7.19 -0.41 -4.21 1.04 -1.26 -4.91 113.70 112.49 1nfa s SER 129 Ca -0.03 1.46 0.06 0.00 0.48 0.00 0.00 55.95 57.92 1nfa s SER 129 Cb -0.17 -2.53 0.31 0.00 0.10 0.00 0.00 66.02 63.73 1nfa s SER 129 CO -0.07 -0.38 1.23 -0.67 0.98 0.00 0.00 173.24 174.32 1nfa n ASP 130 N 4.77 -1.90 -3.43 7.02 2.03 -1.26 -5.04 116.55 118.74 1nfa n ASP 130 Ca 0.07 -2.85 -0.27 0.00 0.52 0.00 0.00 54.79 52.25 1nfa n ASP 130 Cb 0.49 1.48 -0.08 0.00 -0.72 0.00 0.00 41.12 42.30 1nfa n ASP 130 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nfa n ILE 131 N 0.09 2.19 -3.11 5.18 3.06 -1.26 -5.05 119.36 120.46 1nfa n ILE 131 Ca -0.02 -5.15 -0.41 0.00 -2.50 0.00 0.00 62.75 54.67 1nfa n ILE 131 Cb 0.74 -2.10 -0.06 0.00 0.54 0.00 0.00 39.64 38.76 1nfa n ILE 131 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1nfa s GLU 132 N -2.38 4.04 -0.02 9.51 2.02 -1.26 -4.94 118.70 125.66 1nfa s GLU 132 Ca 0.39 0.47 -0.23 0.00 0.02 0.00 0.00 54.97 55.62 1nfa s GLU 132 Cb 0.14 -3.68 -0.21 0.00 0.10 0.00 0.00 34.13 30.48 1nfa s GLU 132 CO -0.02 -0.47 1.11 1.25 0.02 0.00 0.00 175.26 177.15 1nfa h LEU 133 N 9.01 0.28 0.00 1.80 5.85 -2.08 -3.48 115.31 126.70 1nfa h LEU 133 Ca -0.27 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 57.76 1nfa h LEU 133 Cb 1.12 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1nfa h LEU 133 CO 0.78 0.93 0.00 -2.11 -0.34 0.00 0.00 178.44 177.71 1nfa n ARG 134 N -4.50 0.00 -3.65 1.25 1.85 -1.26 -5.17 116.66 105.19 1nfa n ARG 134 Ca -0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.72 1nfa n ARG 134 Cb 0.48 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.83 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 -1.49 0.62 0.00 2.89 1.02 -1.26 -5.01 119.74 116.51 1nfa s LYS 135 Ca 0.00 1.32 0.26 0.00 0.02 0.00 0.00 55.97 57.57 1nfa s LYS 135 Cb 0.00 0.49 0.68 0.00 -0.52 0.00 0.00 37.83 38.48 1nfa s LYS 135 CO 0.00 -0.18 1.52 0.41 -0.92 0.00 0.00 175.35 176.18 1nfa n GLY 136 N 4.89 -0.23 3.63 -3.33 0.00 -1.26 -4.95 105.19 103.93 1nfa n GLY 136 Ca -0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.33 0.15 0.00 1.61 1.03 -1.26 -5.08 118.70 112.82 1nfa s GLU 137 Ca 0.27 -0.03 0.00 0.00 0.03 0.00 0.00 54.97 55.25 1nfa s GLU 137 Cb 0.20 0.07 0.00 0.00 -0.80 0.00 0.00 34.13 33.60 1nfa s GLU 137 CO 0.46 -0.06 0.00 -2.37 -1.33 0.00 0.00 175.26 171.96 1nfa n THR 138 N 0.16 0.00 -1.01 1.83 5.66 -1.26 -5.00 114.28 114.65 1nfa n THR 138 Ca 0.02 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1nfa n THR 138 Cb 0.58 -0.06 -0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1nfa n THR 138 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1nfa n ASP 139 N -1.95 -5.16 0.00 1.09 8.00 -1.26 -4.46 116.55 112.81 1nfa n ASP 139 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1nfa n ASP 139 Cb 0.00 -2.71 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 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 -2.28 0.00 0.00 0.53 -5.35 -1.26 -5.07 119.36 105.92 1nfa n ILE 140 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1nfa n ILE 140 Cb 0.37 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 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 -1.35 1.85 1.09 3.28 0.00 -1.26 -5.02 105.19 103.77 1nfa n GLY 141 Ca 0.00 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.54 1nfa n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfa n ARG 142 N 0.00 -2.36 -2.86 1.61 5.12 -1.26 -4.68 116.66 112.22 1nfa n ARG 142 Ca 0.00 1.76 -0.23 0.00 -1.93 0.00 0.00 57.85 57.44 1nfa n ARG 142 Cb 0.00 -2.82 -0.02 0.00 -1.16 0.00 0.00 32.46 28.46 1nfa n ARG 142 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1nfa n LYS 143 N -3.86 2.63 -3.13 5.56 4.01 -1.26 -5.01 118.16 117.10 1nfa n LYS 143 Ca -0.03 -4.34 -0.00 0.00 -0.51 0.00 0.00 58.31 53.43 1nfa n LYS 143 Cb 0.51 -2.04 -0.00 0.00 -0.51 0.00 0.00 35.03 32.99 1nfa n LYS 143 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1nfa n ASN 144 N -0.17 -6.93 -2.71 4.39 0.23 -1.26 -4.94 115.26 103.86 1nfa n ASN 144 Ca 0.29 0.65 -0.06 0.00 -0.53 0.00 0.00 54.58 54.93 1nfa n ASN 144 Cb 0.54 -1.68 0.05 0.00 -2.08 0.00 0.00 39.78 36.62 1nfa n ASN 144 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1nfa n THR 145 N 1.76 0.89 -3.62 5.53 -2.24 -1.26 -4.54 114.28 110.82 1nfa n THR 145 Ca -0.01 -2.72 -0.13 0.00 -2.27 0.00 0.00 64.05 58.92 1nfa n THR 145 Cb 0.30 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.38 1nfa n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nfa s ARG 146 N -2.74 0.98 0.09 -0.78 3.03 -1.26 -2.69 118.95 115.59 1nfa s ARG 146 Ca 0.25 -0.30 -0.01 0.00 2.03 0.00 0.00 55.73 57.71 1nfa s ARG 146 Cb 0.41 0.44 -0.04 0.00 -1.03 0.00 0.00 34.95 34.74 1nfa s ARG 146 CO -0.01 -0.35 0.00 0.14 -1.13 0.00 0.00 175.30 173.96 1nfa s VAL 147 N -2.47 0.25 -0.15 4.99 -7.23 -1.09 -4.48 120.40 110.22 1nfa s VAL 147 Ca -0.05 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.20 1nfa s VAL 147 Cb -0.01 -1.79 0.06 0.00 0.56 0.00 0.00 36.38 35.21 1nfa s VAL 147 CO -0.02 -0.74 0.13 -0.60 -0.31 0.00 0.00 175.10 173.55 1nfa s ARG 148 N -3.96 0.07 -0.13 4.82 3.52 0.59 -4.50 118.95 119.36 1nfa s ARG 148 Ca 0.15 0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 1nfa s ARG 148 Cb 0.07 -1.33 -0.01 0.00 -1.56 0.00 0.00 34.95 32.12 1nfa s ARG 148 CO -0.04 -0.58 1.06 -1.17 -0.81 0.00 0.00 175.30 173.76 1nfa s LEU 149 N 2.21 4.21 0.08 -0.88 2.96 -1.26 -1.70 118.68 124.30 1nfa s LEU 149 Ca 0.04 1.54 -0.08 0.00 -0.22 0.00 0.00 54.13 55.41 1nfa s LEU 149 Cb -0.15 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1nfa s LEU 149 CO -0.09 -0.54 0.37 -0.69 -1.32 0.00 0.00 176.35 174.09 1nfa s VAL 150 N 2.40 5.14 -0.29 1.68 1.01 -0.66 -1.02 120.40 128.66 1nfa s VAL 150 Ca 0.49 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1nfa s VAL 150 Cb -0.19 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.71 1nfa s VAL 150 CO 0.15 0.25 0.32 -0.36 0.00 0.00 0.00 175.10 175.47 1nfa s PHE 151 N -1.43 -0.55 -0.14 5.22 0.08 0.26 -3.55 117.98 117.87 1nfa s PHE 151 Ca 0.34 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 57.15 1nfa s PHE 151 Cb -0.13 -0.41 0.04 0.00 -0.57 0.00 0.00 43.02 41.95 1nfa s PHE 151 CO 0.19 -0.94 0.37 -0.98 -0.10 0.00 0.00 175.22 173.76 1nfa s ARG 152 N 2.34 0.40 -0.13 0.44 1.70 -1.24 0.11 118.95 122.57 1nfa s ARG 152 Ca 0.10 0.59 0.01 0.00 -0.47 0.00 0.00 55.73 55.96 1nfa s ARG 152 Cb -0.14 0.12 -0.01 0.00 -0.57 0.00 0.00 34.95 34.35 1nfa s ARG 152 CO -0.31 -0.09 -0.15 0.54 -1.08 0.00 0.00 175.30 174.21 1nfa s VAL 153 N 0.62 2.82 -0.15 4.99 0.11 -1.07 -2.65 120.40 125.08 1nfa s VAL 153 Ca -0.03 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1nfa s VAL 153 Cb -0.05 -2.17 0.03 0.00 -1.53 0.00 0.00 36.38 32.66 1nfa s VAL 153 CO -0.04 0.53 -0.10 -1.00 -3.33 0.00 0.00 175.10 171.16 1nfa s HIS 154 N 0.45 1.90 -0.09 1.54 3.76 -1.26 -2.83 115.29 118.76 1nfa s HIS 154 Ca -0.11 -1.09 -0.07 0.00 -0.15 0.00 0.00 55.06 53.63 1nfa s HIS 154 Cb -0.16 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 1nfa s HIS 154 CO 0.05 -0.62 0.19 0.54 -0.85 0.00 0.00 174.74 174.05 1nfa s VAL 155 N 1.57 5.43 -0.28 -0.90 0.11 -0.73 -4.82 120.40 120.77 1nfa s VAL 155 Ca 0.03 0.24 -0.29 0.00 -2.93 0.00 0.00 61.98 59.04 1nfa s VAL 155 Cb -0.14 -3.46 -0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1nfa s VAL 155 CO -0.09 0.57 1.33 -2.16 -3.33 0.00 0.00 175.10 171.41 1nfa s PRO 156 N -1.18 3.92 0.20 1.54 0.04 -1.26 -4.76 135.00 133.49 1nfa s PRO 156 Ca 0.18 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.54 1nfa s PRO 156 Cb -0.13 -3.89 -0.05 0.00 0.04 0.00 0.00 34.50 30.48 1nfa s PRO 156 CO 0.07 -1.11 0.06 -0.65 0.04 0.00 0.00 177.00 175.42 1nfa s GLN 157 N 4.17 1.19 -0.05 4.56 -1.52 -1.26 -5.09 119.66 121.66 1nfa s GLN 157 Ca 0.57 -1.61 -0.03 0.00 -1.95 0.00 0.00 55.36 52.35 1nfa s GLN 157 Cb -0.18 -0.08 -0.02 0.00 -0.22 0.00 0.00 33.01 32.51 1nfa s GLN 157 CO 0.23 -0.25 0.18 -1.00 -0.25 0.00 0.00 175.29 174.20 1nfa h PRO 158 N 2.61 -0.11 0.00 2.91 0.13 -2.02 -3.40 132.00 132.12 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 32.38 1nfa h PRO 158 CO 0.60 -0.07 0.00 0.45 -0.23 0.00 0.00 178.00 178.74 1nfa n SER 159 N -3.81 0.00 0.00 1.44 2.88 -1.26 -4.96 113.62 107.91 1nfa n SER 159 Ca -0.01 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1nfa n SER 159 Cb 0.05 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.77 4.23 3.58 0.46 0.00 -1.26 -5.03 105.19 106.40 1nfa n GLY 160 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1nfa n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nfa s ARG 161 N 0.00 3.81 0.00 1.61 0.52 -1.26 -4.44 118.95 119.19 1nfa s ARG 161 Ca 0.00 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.34 1nfa s ARG 161 Cb 0.00 -5.50 0.00 0.00 0.52 0.00 0.00 34.95 29.97 1nfa s ARG 161 CO 0.00 -2.45 0.00 2.41 0.02 0.00 0.00 175.30 175.28 1nfa n THR 162 N 6.58 0.00 -3.53 0.02 -1.04 -1.26 -5.08 114.28 109.97 1nfa n THR 162 Ca 0.48 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 62.22 1nfa n THR 162 Cb 0.46 -0.11 -0.14 0.00 -1.82 0.00 0.00 70.33 68.72 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 -2.53 0.41 -0.31 -4.42 2.96 -1.26 -4.94 118.68 108.58 1nfa s LEU 163 Ca 0.00 -1.15 0.04 0.00 -0.22 0.00 0.00 54.13 52.80 1nfa s LEU 163 Cb 0.00 -0.21 0.19 0.00 0.50 0.00 0.00 46.19 46.67 1nfa s LEU 163 CO 0.00 -0.42 0.66 -0.55 -1.32 0.00 0.00 176.35 174.72 1nfa s SER 164 N 2.14 -1.44 0.11 3.68 0.15 -1.25 -1.78 113.70 115.31 1nfa s SER 164 Ca 0.08 0.02 0.07 0.00 0.70 0.00 0.00 55.95 56.83 1nfa s SER 164 Cb -0.16 1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 66.01 1nfa s SER 164 CO -0.34 -0.25 -0.18 -0.22 1.20 0.00 0.00 173.24 173.45 1nfa s LEU 165 N 2.68 2.34 0.06 3.45 1.98 -1.13 -4.99 118.68 123.07 1nfa s LEU 165 Ca 0.13 -0.73 0.09 0.00 -2.89 0.00 0.00 54.13 50.73 1nfa s LEU 165 Cb -0.08 -0.75 -0.03 0.00 0.66 0.00 0.00 46.19 45.99 1nfa s LEU 165 CO -0.23 -0.02 -0.23 -1.10 -1.89 0.00 0.00 176.35 172.88 1nfa s GLN 166 N -2.20 1.85 -0.36 1.98 -0.21 -1.26 -2.59 119.66 116.87 1nfa s GLN 166 Ca 0.07 -1.10 0.04 0.00 0.02 0.00 0.00 55.36 54.40 1nfa s GLN 166 Cb -0.08 -2.05 0.16 0.00 1.00 0.00 0.00 33.01 32.04 1nfa s GLN 166 CO 0.04 0.51 0.45 0.08 -2.12 0.00 0.00 175.29 174.26 1nfa s VAL 167 N -0.89 -0.59 -0.31 1.09 1.01 0.31 -4.92 120.40 116.09 1nfa s VAL 167 Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1nfa s VAL 167 Cb -0.10 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.71 1nfa s VAL 167 CO 0.04 -0.34 0.04 0.00 0.00 0.00 0.00 175.10 174.84 1nfa s ALA 168 N 1.88 2.91 -0.27 5.51 0.00 -1.26 0.93 121.76 131.46 1nfa s ALA 168 Ca 0.14 -1.72 -0.21 0.00 0.00 0.00 0.00 51.96 50.17 1nfa s ALA 168 Cb -0.12 -2.06 0.07 0.00 0.00 0.00 0.00 23.12 21.01 1nfa s ALA 168 CO -0.13 -1.26 0.69 0.45 0.00 0.00 0.00 175.76 175.52 1nfa s SER 169 N 1.33 -0.80 0.00 0.00 0.15 -0.19 -4.89 113.70 109.30 1nfa s SER 169 Ca -0.03 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1nfa s SER 169 Cb -0.19 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1nfa s SER 169 CO 0.00 -0.24 0.00 -3.20 1.20 0.00 0.00 173.24 171.00 1nfa n ASN 170 N 3.24 0.00 -4.55 5.45 4.05 -1.26 -4.06 115.26 118.13 1nfa n ASN 170 Ca -0.16 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.49 1nfa n ASN 170 Cb 0.56 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.54 1nfa n ASN 170 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1nfa s PRO 171 N 0.00 3.11 0.13 1.20 0.04 -1.26 -4.48 135.00 133.73 1nfa s PRO 171 Ca 0.00 -0.36 -0.12 0.00 0.04 0.00 0.00 61.00 60.55 1nfa s PRO 171 Cb 0.00 -4.72 0.01 0.00 0.04 0.00 0.00 34.50 29.83 1nfa s PRO 171 CO 0.00 -2.48 0.32 0.42 0.04 0.00 0.00 177.00 175.30 1nfa s ILE 172 N 6.83 0.09 0.44 0.56 1.01 -1.26 -4.36 121.20 124.50 1nfa s ILE 172 Ca 0.50 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1nfa s ILE 172 Cb -0.06 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 1nfa s ILE 172 CO 0.06 -0.42 0.06 -1.61 0.00 0.00 0.00 174.94 173.03 1nfa s GLU 173 N -3.86 2.09 0.16 2.79 2.02 -1.25 -2.67 118.70 117.98 1nfa s GLU 173 Ca 0.07 -2.13 0.09 0.00 0.02 0.00 0.00 54.97 53.01 1nfa s GLU 173 Cb 0.03 -1.70 -0.04 0.00 0.10 0.00 0.00 34.13 32.52 1nfa s GLU 173 CO -0.09 -0.17 -0.11 0.00 0.02 0.00 0.00 175.26 174.91 1nfa s SER 175 N -2.66 -0.27 0.37 0.00 1.04 -1.26 -4.62 113.70 106.30 1nfa s SER 175 Ca 0.23 -0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.42 1nfa s SER 175 Cb -0.09 0.52 0.06 0.00 0.10 0.00 0.00 66.02 66.60 1nfa s SER 175 CO 0.14 -0.92 0.49 0.00 0.98 0.00 0.00 173.24 173.93 1nfa n GLN 176 N -0.41 0.77 0.00 4.02 0.00 -1.26 -4.87 117.38 115.63 1nfa n GLN 176 Ca -0.07 -2.03 0.00 0.00 0.00 0.00 0.00 57.00 54.90 1nfa n GLN 176 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 30.24 30.73 1nfa n GLN 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1nfa n ARG 177 N -1.77 0.00 -0.45 2.61 5.12 -1.26 -4.65 116.66 116.25 1nfa n ARG 177 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1nfa n ARG 177 Cb 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.69 1nfa n ARG 177 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15