#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 -1.34 0.00 0.03 2.85 -1.26 -5.07 118.16 113.37 1nfa n LYS 2 Ca 0.00 -2.03 0.00 0.00 -1.05 0.00 0.00 58.31 55.23 1nfa n LYS 2 Cb 0.00 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 1nfa n LYS 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1nfa n ASP 3 N -3.88 0.00 -0.03 -5.58 8.00 -1.26 -5.00 116.55 108.80 1nfa n ASP 3 Ca 0.16 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.46 1nfa n ASP 3 Cb 0.57 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.00 0.28 -0.04 1.24 0.09 -2.09 -3.46 115.95 111.97 1nfa h TRP 4 Ca 0.00 -0.20 0.02 0.00 0.09 0.00 0.00 58.89 58.79 1nfa h TRP 4 Cb 0.00 -0.01 -0.15 0.00 0.08 0.00 0.00 29.16 29.08 1nfa h TRP 4 CO 0.00 1.51 -0.04 0.94 0.09 0.00 0.00 178.44 180.94 1nfa n GLN 5 N -4.08 0.03 -0.93 0.12 0.00 -1.26 -5.16 117.38 106.10 1nfa n GLN 5 Ca -0.26 -0.58 -0.31 0.00 -0.00 0.00 0.00 57.00 55.85 1nfa n GLN 5 Cb 0.82 0.27 0.14 0.00 0.00 0.00 0.00 30.24 31.47 1nfa n GLN 5 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1nfa s LEU 6 N 0.72 2.80 -0.11 1.69 -0.00 -1.26 -4.95 118.68 117.57 1nfa s LEU 6 Ca 0.23 1.99 -0.30 0.00 -0.00 0.00 0.00 54.13 56.06 1nfa s LEU 6 Cb 0.16 -4.47 -0.01 0.00 -0.00 0.00 0.00 46.19 41.87 1nfa s LEU 6 CO -0.10 -2.73 1.06 -2.16 -0.00 0.00 0.00 176.35 172.42 1nfa s PRO 7 N -4.75 4.38 -0.34 1.48 0.04 -1.26 -4.95 135.00 129.60 1nfa s PRO 7 Ca 0.65 1.45 0.12 0.00 0.04 0.00 0.00 61.00 63.26 1nfa s PRO 7 Cb -0.20 -3.56 0.46 0.00 0.04 0.00 0.00 34.50 31.23 1nfa s PRO 7 CO 0.57 -0.39 1.08 -1.13 0.04 0.00 0.00 177.00 177.18 1nfa n SER 8 N 5.26 3.26 -4.96 6.66 3.41 -1.26 -5.07 113.62 120.91 1nfa n SER 8 Ca 0.10 -3.12 -0.23 0.00 -0.26 0.00 0.00 58.87 55.36 1nfa n SER 8 Cb 0.48 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 -3.49 3.47 -0.09 7.33 -3.43 -1.26 -4.80 115.29 113.01 1nfa s HIS 9 Ca 0.39 0.04 -0.02 0.00 -0.80 0.00 0.00 55.06 54.67 1nfa s HIS 9 Cb 0.40 -1.62 0.00 0.00 -1.43 0.00 0.00 32.58 29.94 1nfa s HIS 9 CO -0.05 0.47 0.08 0.45 -2.00 0.00 0.00 174.74 173.69 1nfa n SER 10 N -1.05 -3.39 0.00 7.38 2.88 -1.26 -5.03 113.62 113.15 1nfa n SER 10 Ca -0.08 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1nfa n SER 10 Cb 0.56 -2.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.00 1nfa n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nfa n GLY 11 N -0.21 -1.45 3.86 0.46 0.00 -1.26 -4.88 105.19 101.71 1nfa n GLY 11 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.21 1.33 0.61 1.61 0.04 -1.26 -4.98 135.00 132.15 1nfa s PRO 12 Ca 0.00 0.04 -0.17 0.00 0.04 0.00 0.00 61.00 60.90 1nfa s PRO 12 Cb 0.00 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1nfa s PRO 12 CO 0.00 -2.02 1.15 0.71 0.04 0.00 0.00 177.00 176.88 1nfa s TYR 13 N -3.55 2.51 -0.14 0.56 2.02 -1.26 -4.80 117.35 112.69 1nfa s TYR 13 Ca 0.65 1.55 -0.07 0.00 -0.37 0.00 0.00 57.07 58.83 1nfa s TYR 13 Cb -0.10 -3.32 0.05 0.00 -0.40 0.00 0.00 41.96 38.19 1nfa s TYR 13 CO 0.51 -1.89 0.34 -2.00 -1.57 0.00 0.00 175.55 170.94 1nfa s GLU 14 N -3.63 0.31 -0.66 -0.62 2.56 -1.25 -4.96 118.70 110.45 1nfa s GLU 14 Ca 0.72 0.68 0.06 0.00 0.00 0.00 0.00 54.97 56.43 1nfa s GLU 14 Cb -0.25 -0.06 0.21 0.00 2.00 0.00 0.00 34.13 36.03 1nfa s GLU 14 CO 0.35 -0.16 0.61 -0.11 -0.56 0.00 0.00 175.26 175.39 1nfa n LEU 15 N 4.28 3.23 -4.42 2.70 7.94 -1.26 -2.62 117.00 126.85 1nfa n LEU 15 Ca -0.24 -5.29 -0.26 0.00 -1.11 0.00 0.00 56.01 49.11 1nfa n LEU 15 Cb 0.54 -0.65 -0.11 0.00 0.53 0.00 0.00 43.42 43.73 1nfa n LEU 15 CO 0.11 1.91 -0.52 -0.60 -1.11 0.00 0.00 177.39 177.18 1nfa s ARG 16 N -1.91 1.52 0.47 1.96 3.00 -1.26 -4.91 118.95 117.83 1nfa s ARG 16 Ca 0.33 -1.56 -0.23 0.00 -1.00 0.00 0.00 55.73 53.27 1nfa s ARG 16 Cb 0.06 -1.79 -0.07 0.00 0.00 0.00 0.00 34.95 33.15 1nfa s ARG 16 CO -0.09 0.38 1.23 0.42 0.00 0.00 0.00 175.30 177.24 1nfa s ILE 17 N -1.84 2.77 -0.05 4.11 1.09 -1.26 -4.14 121.20 121.88 1nfa s ILE 17 Ca 0.22 0.59 -0.22 0.00 -1.10 0.00 0.00 60.65 60.14 1nfa s ILE 17 Cb -0.07 -3.31 -0.17 0.00 -1.06 0.00 0.00 42.46 37.85 1nfa s ILE 17 CO 0.10 0.01 0.94 -0.08 -0.10 0.00 0.00 174.94 175.81 1nfa h GLU 18 N 2.00 -0.17 -5.52 2.79 4.57 -1.85 -3.46 114.58 112.94 1nfa h GLU 18 Ca -0.50 0.01 -0.51 0.00 -1.18 0.00 0.00 59.36 57.19 1nfa h GLU 18 Cb 1.26 0.04 -0.28 0.00 -0.16 0.00 0.00 28.75 29.61 1nfa h GLU 18 CO 0.60 0.29 -0.82 0.08 -1.18 0.00 0.00 179.01 177.98 1nfa s VAL 19 N -3.53 1.27 -0.65 0.32 1.01 -1.26 -5.04 120.40 112.51 1nfa s VAL 19 Ca -0.13 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1nfa s VAL 19 Cb 0.01 -1.08 0.16 0.00 0.00 0.00 0.00 36.38 35.46 1nfa s VAL 19 CO 0.52 0.25 0.44 -1.58 0.00 0.00 0.00 175.10 174.72 1nfa s GLN 20 N -0.66 2.31 0.80 2.72 2.00 -1.26 -2.95 119.66 122.62 1nfa s GLN 20 Ca 0.05 -3.15 -0.13 0.00 -2.00 0.00 0.00 55.36 50.13 1nfa s GLN 20 Cb -0.07 -3.34 0.19 0.00 0.80 0.00 0.00 33.01 30.58 1nfa s GLN 20 CO 0.00 -1.25 0.98 -0.35 -0.50 0.00 0.00 175.29 174.18 1nfa n PRO 21 N 2.26 -1.37 -1.43 1.67 -0.04 -1.26 -4.84 135.00 129.98 1nfa n PRO 21 Ca 0.17 -1.53 -0.58 0.00 -0.04 0.00 0.00 63.50 61.51 1nfa n PRO 21 Cb 0.35 -1.10 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 1nfa n PRO 21 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nfa n LYS 22 N -3.37 0.43 -0.89 0.54 5.02 -1.26 -4.78 118.16 113.84 1nfa n LYS 22 Ca 0.13 0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 56.46 1nfa n LYS 22 Cb 0.45 -1.83 0.20 0.00 -0.02 0.00 0.00 35.03 33.83 1nfa n LYS 22 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nfa n SER 23 N 7.35 2.75 -4.92 4.39 2.88 -1.26 -4.62 113.62 120.19 1nfa n SER 23 Ca 0.44 -3.74 -0.20 0.00 -1.33 0.00 0.00 58.87 54.05 1nfa n SER 23 Cb 0.05 -0.68 -0.02 0.00 -0.75 0.00 0.00 64.21 62.81 1nfa n SER 23 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1nfa s HIS 24 N -3.25 2.97 -0.27 0.66 -3.43 -1.26 -4.55 115.29 106.16 1nfa s HIS 24 Ca 0.47 -0.29 -0.07 0.00 -0.80 0.00 0.00 55.06 54.37 1nfa s HIS 24 Cb 0.42 -1.95 0.13 0.00 -1.43 0.00 0.00 32.58 29.74 1nfa s HIS 24 CO 0.02 0.03 0.56 -1.58 -2.00 0.00 0.00 174.74 171.77 1nfa s HIS 25 N -2.27 -1.19 -0.94 0.38 2.46 -1.26 -4.92 115.29 107.54 1nfa s HIS 25 Ca 0.44 1.93 -0.18 0.00 0.47 0.00 0.00 55.06 57.73 1nfa s HIS 25 Cb -0.07 0.58 0.15 0.00 -0.13 0.00 0.00 32.58 33.11 1nfa s HIS 25 CO 0.29 -0.65 1.10 0.50 -2.47 0.00 0.00 174.74 173.52 1nfa s ARG 26 N 2.79 3.64 -0.14 2.88 3.00 -1.26 -4.99 118.95 124.88 1nfa s ARG 26 Ca -0.00 -1.93 -0.34 0.00 -1.00 0.00 0.00 55.73 52.46 1nfa s ARG 26 Cb -0.13 -4.86 -0.12 0.00 0.00 0.00 0.00 34.95 29.85 1nfa s ARG 26 CO -0.17 -1.70 1.92 0.00 0.00 0.00 0.00 175.30 175.35 1nfa n ALA 27 N 6.11 0.87 -1.10 6.12 0.00 -1.26 -4.86 120.51 126.39 1nfa n ALA 27 Ca 0.24 0.23 -0.37 0.00 0.00 0.00 0.00 53.44 53.53 1nfa n ALA 27 Cb 0.48 -2.51 0.04 0.00 0.00 0.00 0.00 19.45 17.46 1nfa n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nfa n HIS 28 N 7.18 -3.70 0.00 0.00 -0.00 -1.26 -4.97 115.22 112.48 1nfa n HIS 28 Ca 0.25 0.18 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 1nfa n HIS 28 Cb 0.29 -1.60 0.00 0.00 -0.00 0.00 0.00 29.99 28.68 1nfa n HIS 28 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1nfa n TYR 29 N -2.24 0.00 -0.72 4.41 4.01 -1.26 -4.98 117.16 116.37 1nfa n TYR 29 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1nfa n TYR 29 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1nfa n TYR 29 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1nfa n GLU 30 N 0.00 0.00 -2.17 -0.72 1.02 -1.26 -4.41 120.64 113.10 1nfa n GLU 30 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1nfa n GLU 30 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 1nfa n GLU 30 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1nfa n THR 31 N 0.00 0.55 -3.39 2.62 -2.24 -1.26 -4.97 114.28 105.60 1nfa n THR 31 Ca 0.00 -1.74 -0.26 0.00 -2.27 0.00 0.00 64.05 59.78 1nfa n THR 31 Cb 0.00 1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 1nfa n THR 31 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1nfa n GLU 32 N -0.25 1.35 -1.36 -0.78 0.28 -1.26 -5.03 120.64 113.57 1nfa n GLU 32 Ca 0.01 -3.84 0.00 0.00 -0.16 0.00 0.00 57.16 53.17 1nfa n GLU 32 Cb 0.93 -1.75 0.00 0.00 1.43 0.00 0.00 31.44 32.04 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 1.53 -4.62 0.00 -1.84 0.00 -1.26 -4.98 105.19 94.02 1nfa n GLY 33 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1nfa n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nfa n SER 34 N 0.99 0.00 -0.85 1.61 7.64 -1.26 -4.98 113.62 116.78 1nfa n SER 34 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1nfa n SER 34 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1nfa n SER 34 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1nfa n ARG 35 N -0.14 0.00 0.00 1.43 0.63 -1.26 -4.89 116.66 112.43 1nfa n ARG 35 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1nfa n ARG 35 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1nfa n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nfa n GLY 36 N 0.00 -0.23 3.22 5.14 0.00 -1.26 -4.61 105.19 107.45 1nfa n GLY 36 Ca 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 1nfa n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfa s ALA 37 N -2.53 1.33 -0.11 4.61 0.00 -1.26 -4.15 121.76 119.65 1nfa s ALA 37 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 49.90 1nfa s ALA 37 Cb 0.00 1.37 -0.03 0.00 0.00 0.00 0.00 23.12 24.46 1nfa s ALA 37 CO 0.00 -0.59 1.33 0.54 0.00 0.00 0.00 175.76 177.05 1nfa s VAL 38 N -4.02 4.09 -0.25 0.00 0.11 -1.26 -4.93 120.40 114.14 1nfa s VAL 38 Ca 0.39 1.36 -0.03 0.00 -2.93 0.00 0.00 61.98 60.77 1nfa s VAL 38 Cb 0.06 -3.87 0.14 0.00 -1.53 0.00 0.00 36.38 31.18 1nfa s VAL 38 CO 0.14 -0.09 0.43 -0.54 -3.33 0.00 0.00 175.10 171.72 1nfa s LYS 39 N 3.25 0.40 -0.11 1.54 1.02 -1.23 -4.73 119.74 119.87 1nfa s LYS 39 Ca 0.59 0.67 -0.30 0.00 0.02 0.00 0.00 55.97 56.94 1nfa s LYS 39 Cb -0.25 -0.21 0.10 0.00 -0.52 0.00 0.00 37.83 36.95 1nfa s LYS 39 CO 0.20 -0.61 0.86 0.00 -0.92 0.00 0.00 175.35 174.88 1nfa s ALA 40 N 2.62 -1.86 0.00 5.17 0.00 -1.10 -4.81 121.76 121.78 1nfa s ALA 40 Ca 0.14 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1nfa s ALA 40 Cb -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1nfa s ALA 40 CO -0.17 -0.35 0.00 -1.13 0.00 0.00 0.00 175.76 174.12 1nfa n SER 41 N 0.77 0.00 -3.14 0.00 3.41 -1.26 0.25 113.62 113.65 1nfa n SER 41 Ca -0.14 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.12 1nfa n SER 41 Cb 0.58 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 1nfa n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfa n ALA 42 N 10.15 6.92 0.00 7.33 0.00 -1.26 -4.52 120.51 139.13 1nfa n ALA 42 Ca 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 49.88 1nfa n ALA 42 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 2.16 3.08 0.00 0.00 0.00 -0.02 -4.44 105.19 105.97 1nfa n GLY 43 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -2.00 2.19 3.71 -0.02 0.00 0.70 -2.71 105.19 107.05 1nfa n GLY 44 Ca 0.00 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 1.86 1.02 1.61 3.76 -1.26 -4.35 115.29 117.93 1nfa s HIS 45 Ca 0.00 1.62 -0.17 0.00 -0.15 0.00 0.00 55.06 56.36 1nfa s HIS 45 Cb 0.00 -3.56 0.23 0.00 1.11 0.00 0.00 32.58 30.36 1nfa s HIS 45 CO 0.00 -2.91 1.29 -1.25 -0.85 0.00 0.00 174.74 171.03 1nfa s PRO 46 N -3.92 0.16 0.36 8.40 0.04 -1.26 -4.79 135.00 133.99 1nfa s PRO 46 Ca 0.76 -0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.41 1nfa s PRO 46 Cb -0.32 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1nfa s PRO 46 CO 0.48 -2.74 0.56 0.42 0.04 0.00 0.00 177.00 175.76 1nfa s ILE 47 N -3.75 4.90 -0.05 0.56 -1.09 -1.15 -3.93 121.20 116.69 1nfa s ILE 47 Ca 0.74 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1nfa s ILE 47 Cb -0.04 -3.79 0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1nfa s ILE 47 CO 0.54 -0.51 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.03 1nfa s VAL 48 N -2.34 0.37 -0.12 2.92 1.01 -0.54 -3.44 120.40 118.26 1nfa s VAL 48 Ca 0.41 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 1nfa s VAL 48 Cb -0.10 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.87 1nfa s VAL 48 CO 0.36 0.21 0.39 0.00 0.00 0.00 0.00 175.10 176.06 1nfa s GLN 49 N 1.21 0.52 -0.10 2.72 -2.07 -1.26 -1.13 119.66 119.55 1nfa s GLN 49 Ca -0.07 0.41 -0.09 0.00 -1.82 0.00 0.00 55.36 53.80 1nfa s GLN 49 Cb -0.14 0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 1nfa s GLN 49 CO -0.02 -0.09 0.19 -1.17 -1.32 0.00 0.00 175.29 172.89 1nfa s LEU 50 N -0.11 4.39 -0.41 2.60 0.20 -1.26 -4.23 118.68 119.86 1nfa s LEU 50 Ca -0.03 0.55 0.06 0.00 0.69 0.00 0.00 54.13 55.39 1nfa s LEU 50 Cb -0.03 -2.18 0.20 0.00 -0.43 0.00 0.00 46.19 43.75 1nfa s LEU 50 CO 0.02 0.37 0.42 0.00 -0.29 0.00 0.00 176.35 176.87 1nfa n HIS 51 N 2.11 -0.85 0.00 5.38 1.44 -1.08 -4.86 115.22 117.36 1nfa n HIS 51 Ca -0.18 -3.32 0.00 0.00 -2.01 0.00 0.00 57.72 52.20 1nfa n HIS 51 Cb 0.54 0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.75 1nfa n HIS 51 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nfa n GLY 52 N 2.31 -0.85 0.00 -1.39 0.00 -1.26 -3.84 105.19 100.16 1nfa n GLY 52 Ca 0.26 0.84 0.00 0.00 0.00 0.00 0.00 46.02 47.12 1nfa n GLY 52 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nfa n TYR 53 N 0.00 0.00 -0.57 1.61 9.36 -1.26 -4.41 117.16 121.89 1nfa n TYR 53 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 1nfa n TYR 53 Cb 0.00 0.00 0.36 0.00 -0.63 0.00 0.00 39.34 39.07 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 4.65 -4.43 2.98 4.32 -1.26 -4.91 117.00 118.34 1nfa n LEU 54 Ca 0.00 -2.34 -0.31 0.00 -0.02 0.00 0.00 56.01 53.34 1nfa n LEU 54 Cb 0.00 -0.57 -0.13 0.00 -1.62 0.00 0.00 43.42 41.10 1nfa n LEU 54 CO 0.00 0.86 -0.50 -1.61 -1.22 0.00 0.00 177.39 174.91 1nfa s GLU 55 N -1.66 2.05 -0.83 3.23 8.01 -1.26 -5.03 118.70 123.21 1nfa s GLU 55 Ca 0.52 -0.98 -0.01 0.00 0.01 0.00 0.00 54.97 54.50 1nfa s GLU 55 Cb 0.32 -2.16 0.35 0.00 -4.31 0.00 0.00 34.13 28.33 1nfa s GLU 55 CO 0.27 0.54 1.93 0.27 0.01 0.00 0.00 175.26 178.28 1nfa n ASN 56 N 1.67 7.27 -4.66 -0.19 0.23 -1.26 -4.75 115.26 113.56 1nfa n ASN 56 Ca -0.16 -3.82 -0.32 0.00 -0.53 0.00 0.00 54.58 49.75 1nfa n ASN 56 Cb 0.52 -1.02 -0.09 0.00 -2.08 0.00 0.00 39.78 37.11 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 -4.05 2.66 0.37 -3.83 8.01 -1.26 -5.06 118.70 115.54 1nfa s GLU 57 Ca 0.51 -0.70 -0.24 0.00 0.01 0.00 0.00 54.97 54.54 1nfa s GLU 57 Cb 0.42 -2.59 -0.10 0.00 -4.31 0.00 0.00 34.13 27.55 1nfa s GLU 57 CO -0.38 0.60 0.99 -1.25 0.01 0.00 0.00 175.26 175.23 1nfa s PRO 58 N -1.72 4.35 0.10 0.39 0.04 -1.26 -4.79 135.00 132.10 1nfa s PRO 58 Ca 0.21 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1nfa s PRO 58 Cb -0.11 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1nfa s PRO 58 CO 0.12 0.05 0.01 -0.51 0.04 0.00 0.00 177.00 176.70 1nfa s LEU 59 N -2.49 2.14 -0.41 -3.56 1.43 -0.77 -4.96 118.68 110.06 1nfa s LEU 59 Ca 0.55 -1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.39 1nfa s LEU 59 Cb -0.18 0.20 0.02 0.00 0.03 0.00 0.00 46.19 46.26 1nfa s LEU 59 CO 0.24 -0.65 0.36 -0.04 0.23 0.00 0.00 176.35 176.50 1nfa s MET 60 N -3.97 3.07 0.47 1.70 -1.94 -1.26 -1.40 119.30 115.97 1nfa s MET 60 Ca 0.16 -0.86 -0.25 0.00 -1.71 0.00 0.00 55.69 53.04 1nfa s MET 60 Cb 0.07 -3.96 -0.08 0.00 2.01 0.00 0.00 34.83 32.88 1nfa s MET 60 CO -0.03 -0.78 1.41 -1.17 -0.01 0.00 0.00 175.02 174.44 1nfa s LEU 61 N 1.91 4.07 -1.00 -0.03 0.20 -0.59 -4.79 118.68 118.45 1nfa s LEU 61 Ca 0.09 2.89 -0.06 0.00 0.69 0.00 0.00 54.13 57.74 1nfa s LEU 61 Cb -0.18 -4.00 0.25 0.00 -0.43 0.00 0.00 46.19 41.83 1nfa s LEU 61 CO 0.12 -1.24 0.95 -1.10 -0.29 0.00 0.00 176.35 174.78 1nfa s GLN 62 N -2.53 3.74 -0.27 1.98 -1.52 -0.91 -3.44 119.66 116.72 1nfa s GLN 62 Ca 0.63 -3.24 -0.11 0.00 -1.95 0.00 0.00 55.36 50.68 1nfa s GLN 62 Cb -0.43 -4.26 -0.05 0.00 -0.22 0.00 0.00 33.01 28.05 1nfa s GLN 62 CO 0.55 -1.25 0.18 -1.17 -0.25 0.00 0.00 175.29 173.35 1nfa s LEU 63 N -1.30 4.05 -0.01 2.90 2.96 -1.19 -3.14 118.68 122.95 1nfa s LEU 63 Ca 0.29 0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1nfa s LEU 63 Cb -0.09 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1nfa s LEU 63 CO -0.10 -0.02 0.10 0.12 -1.32 0.00 0.00 176.35 175.13 1nfa s PHE 64 N 1.56 0.03 -0.28 5.38 2.19 -1.17 -2.95 117.98 122.74 1nfa s PHE 64 Ca 0.07 -0.06 -0.06 0.00 0.33 0.00 0.00 56.93 57.21 1nfa s PHE 64 Cb -0.15 -0.04 0.01 0.00 -1.31 0.00 0.00 43.02 41.52 1nfa s PHE 64 CO 0.09 -0.20 0.05 -1.50 1.83 0.00 0.00 175.22 175.50 1nfa s ILE 65 N -0.95 3.82 0.02 3.12 -1.16 -1.26 -0.99 121.20 123.80 1nfa s ILE 65 Ca -0.10 -0.68 0.03 0.00 -0.51 0.00 0.00 60.65 59.39 1nfa s ILE 65 Cb -0.06 -2.94 -0.02 0.00 0.61 0.00 0.00 42.46 40.06 1nfa s ILE 65 CO 0.01 0.14 -0.10 -0.83 -2.81 0.00 0.00 174.94 171.34 1nfa s GLY 66 N 1.49 0.57 0.79 1.50 0.00 -0.67 -4.03 107.32 106.96 1nfa s GLY 66 Ca 0.03 -0.62 -0.11 0.00 0.00 0.00 0.00 44.72 44.02 1nfa s GLY 66 CO 0.01 -0.59 1.09 -0.51 0.00 0.00 0.00 173.10 173.09 1nfa s THR 67 N -0.69 3.30 -0.30 0.90 -4.23 0.15 0.05 115.64 114.82 1nfa s THR 67 Ca -0.00 0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 60.77 1nfa s THR 67 Cb -0.06 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.97 1nfa s THR 67 CO 0.00 -0.55 1.07 0.00 -0.54 0.00 0.00 174.62 174.61 1nfa s ALA 68 N -2.96 -2.66 -0.70 3.99 0.00 -1.26 -1.81 121.76 116.36 1nfa s ALA 68 Ca 0.61 2.05 0.23 0.00 0.00 0.00 0.00 51.96 54.84 1nfa s ALA 68 Cb -0.16 -1.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.98 1nfa s ALA 68 CO 0.56 -0.67 0.99 -3.47 0.00 0.00 0.00 175.76 173.17 1nfa n ASP 69 N 4.21 0.64 0.06 0.00 -0.08 -1.26 -4.74 116.55 115.39 1nfa n ASP 69 Ca -0.13 -0.39 0.00 0.00 -1.51 0.00 0.00 54.79 52.76 1nfa n ASP 69 Cb 0.55 0.89 0.00 0.00 2.34 0.00 0.00 41.12 44.90 1nfa n ASP 69 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1nfa n ASP 70 N -1.82 -0.97 0.00 1.67 8.00 -1.26 -5.05 116.55 117.12 1nfa n ASP 70 Ca 0.02 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1nfa n ASP 70 Cb 0.41 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.71 1nfa n ASP 70 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1nfa n ARG 71 N -2.77 0.00 -1.51 -1.24 -4.01 -1.26 -5.01 116.66 100.86 1nfa n ARG 71 Ca 0.00 0.00 -0.16 0.00 -1.04 0.00 0.00 57.85 56.65 1nfa n ARG 71 Cb 0.00 -0.38 -0.13 0.00 -3.04 0.00 0.00 32.46 28.91 1nfa n ARG 71 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 1nfa n LEU 72 N -1.42 0.42 -4.77 2.89 -0.00 -1.26 -4.86 117.00 108.00 1nfa n LEU 72 Ca 0.00 -1.21 -0.39 0.00 -0.00 0.00 0.00 56.01 54.41 1nfa n LEU 72 Cb 0.00 -1.21 -0.00 0.00 -0.00 0.00 0.00 43.42 42.20 1nfa n LEU 72 CO 0.00 -2.23 0.92 -1.48 -0.00 0.00 0.00 177.39 174.60 1nfa s LEU 73 N 9.02 4.14 0.19 1.47 0.05 -1.26 -4.61 118.68 127.68 1nfa s LEU 73 Ca 1.02 2.56 -0.14 0.00 0.05 0.00 0.00 54.13 57.62 1nfa s LEU 73 Cb -0.38 -4.02 0.01 0.00 -2.05 0.00 0.00 46.19 39.75 1nfa s LEU 73 CO 0.26 -0.91 0.45 -0.13 -0.55 0.00 0.00 176.35 175.47 1nfa s ARG 74 N -2.40 1.33 0.38 1.48 3.00 -0.75 -4.98 118.95 117.02 1nfa s ARG 74 Ca 0.60 -1.00 -0.24 0.00 0.00 0.00 0.00 55.73 55.08 1nfa s ARG 74 Cb -0.35 0.47 -0.10 0.00 0.00 0.00 0.00 34.95 34.97 1nfa s ARG 74 CO 0.45 -0.54 1.00 -1.25 0.00 0.00 0.00 175.30 174.95 1nfa s PRO 75 N -3.92 4.31 0.68 3.54 0.04 -1.26 0.29 135.00 138.69 1nfa s PRO 75 Ca 0.13 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 1nfa s PRO 75 Cb 0.00 -2.57 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 1nfa s PRO 75 CO -0.01 0.02 1.05 -1.58 0.04 0.00 0.00 177.00 176.52 1nfa s HIS 76 N -1.72 3.27 -0.01 0.56 2.46 -1.26 -4.45 115.29 114.15 1nfa s HIS 76 Ca 0.56 1.34 -0.04 0.00 0.47 0.00 0.00 55.06 57.39 1nfa s HIS 76 Cb -0.19 -2.85 -0.02 0.00 -0.13 0.00 0.00 32.58 29.39 1nfa s HIS 76 CO 0.24 -1.09 0.42 0.00 -2.47 0.00 0.00 174.74 171.84 1nfa h ALA 77 N -0.61 -0.40 0.00 1.58 0.00 -1.96 -3.42 119.26 114.45 1nfa h ALA 77 Ca -0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1nfa h ALA 77 Cb 1.21 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 1nfa h ALA 77 CO 0.59 -0.39 -0.46 1.19 0.00 0.00 0.00 179.25 180.19 1nfa n PHE 78 N -2.90 0.00 -3.18 0.00 3.72 -1.26 -4.92 117.46 108.92 1nfa n PHE 78 Ca -0.02 -0.64 -0.43 0.00 -0.05 0.00 0.00 57.45 56.32 1nfa n PHE 78 Cb 0.06 -0.13 -0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1nfa n PHE 78 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1nfa n TYR 79 N -0.51 3.52 -0.97 1.38 4.02 -1.26 -4.35 117.16 118.98 1nfa n TYR 79 Ca 0.09 -3.22 0.00 0.00 -0.01 0.00 0.00 57.90 54.76 1nfa n TYR 79 Cb 0.77 -1.38 0.00 0.00 -0.02 0.00 0.00 39.34 38.70 1nfa n TYR 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nfa n GLN 80 N 1.84 0.05 -1.82 -0.72 10.64 -1.26 -4.83 117.38 121.28 1nfa n GLN 80 Ca 0.25 -0.40 -0.41 0.00 -1.83 0.00 0.00 57.00 54.62 1nfa n GLN 80 Cb 0.36 -0.51 0.00 0.00 -0.86 0.00 0.00 30.24 29.23 1nfa n GLN 80 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1nfa s VAL 81 N -0.02 2.09 -0.30 -0.39 -7.23 -1.26 -4.98 120.40 108.32 1nfa s VAL 81 Ca 0.00 0.09 -0.17 0.00 -1.81 0.00 0.00 61.98 60.10 1nfa s VAL 81 Cb 0.00 -3.06 0.18 0.00 0.56 0.00 0.00 36.38 34.06 1nfa s VAL 81 CO 0.00 0.02 1.17 -1.38 -0.31 0.00 0.00 175.10 174.60 1nfa s HIS 82 N -1.14 -0.28 -0.04 2.82 -3.43 -1.26 -3.85 115.29 108.11 1nfa s HIS 82 Ca 0.54 0.37 -0.00 0.00 -0.80 0.00 0.00 55.06 55.17 1nfa s HIS 82 Cb -0.46 0.12 0.03 0.00 -1.43 0.00 0.00 32.58 30.84 1nfa s HIS 82 CO 0.61 -0.15 -0.00 0.50 -2.00 0.00 0.00 174.74 173.70 1nfa s ARG 83 N 2.65 0.45 -0.14 -0.38 6.06 -0.76 -4.93 118.95 121.90 1nfa s ARG 83 Ca -0.04 0.08 -0.08 0.00 -2.50 0.00 0.00 55.73 53.19 1nfa s ARG 83 Cb -0.06 -0.68 -0.04 0.00 0.06 0.00 0.00 34.95 34.22 1nfa s ARG 83 CO -0.12 -0.19 0.15 0.42 -2.50 0.00 0.00 175.30 173.07 1nfa s ILE 84 N 1.35 5.46 0.00 4.11 1.09 -1.24 -4.38 121.20 127.59 1nfa s ILE 84 Ca -0.05 0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.74 1nfa s ILE 84 Cb -0.13 -3.43 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 1nfa s ILE 84 CO -0.02 0.57 0.00 0.35 -0.10 0.00 0.00 174.94 175.74 1nfa n THR 85 N 2.37 0.00 -0.52 2.92 -2.24 -1.26 -5.08 114.28 110.47 1nfa n THR 85 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 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 0.00 0.20 2.87 3.38 0.00 -1.26 -3.26 105.19 107.12 1nfa n GLY 86 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1nfa n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nfa n LYS 87 N -0.11 4.19 -0.82 1.61 3.00 -1.26 -4.95 118.16 119.82 1nfa n LYS 87 Ca 0.00 -4.03 0.00 0.00 -0.00 0.00 0.00 58.31 54.28 1nfa n LYS 87 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 35.03 32.33 1nfa n LYS 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1nfa n THR 88 N 2.12 0.00 -1.98 3.15 -2.24 -1.20 -5.05 114.28 109.08 1nfa n THR 88 Ca 0.36 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.72 1nfa n THR 88 Cb 0.33 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 1nfa n THR 88 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nfa s VAL 89 N 0.54 3.28 -0.04 2.28 1.01 -1.26 -4.77 120.40 121.44 1nfa s VAL 89 Ca 0.00 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1nfa s VAL 89 Cb 0.00 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1nfa s VAL 89 CO 0.00 -0.02 0.81 -1.20 0.00 0.00 0.00 175.10 174.69 1nfa n SER 90 N 6.04 -0.78 -0.09 3.32 7.64 -1.26 -4.96 113.62 123.53 1nfa n SER 90 Ca 0.16 -1.52 -0.03 0.00 1.01 0.00 0.00 58.87 58.49 1nfa n SER 90 Cb 0.42 0.26 0.19 0.00 -1.01 0.00 0.00 64.21 64.07 1nfa n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nfa h THR 91 N 3.50 1.23 -1.84 0.44 1.03 -2.01 -3.44 112.91 111.82 1nfa h THR 91 Ca -0.40 -0.96 0.02 0.00 -0.01 0.00 0.00 66.41 65.06 1nfa h THR 91 Cb 1.17 0.89 -0.23 0.00 -1.07 0.00 0.00 68.15 68.91 1nfa h THR 91 CO -0.20 0.34 0.21 -0.89 -0.01 0.00 0.00 175.52 174.97 1nfa s THR 92 N -4.98 0.00 0.11 0.00 2.01 -1.26 -5.16 115.64 106.36 1nfa s THR 92 Ca -0.09 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.65 1nfa s THR 92 Cb 0.15 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.74 1nfa s THR 92 CO 0.80 0.00 1.02 -0.94 -0.69 0.00 0.00 174.62 174.81 1nfa s SER 93 N 0.82 -0.17 -0.11 3.53 1.04 -1.26 -4.53 113.70 113.02 1nfa s SER 93 Ca -0.03 -0.32 -0.22 0.00 0.48 0.00 0.00 55.95 55.86 1nfa s SER 93 Cb -0.05 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.54 1nfa s SER 93 CO -0.09 -0.76 0.53 -2.28 0.98 0.00 0.00 173.24 171.62 1nfa s HIS 94 N -3.11 -0.51 0.05 5.02 2.46 -0.22 -4.88 115.29 114.10 1nfa s HIS 94 Ca 0.12 1.06 0.06 0.00 0.47 0.00 0.00 55.06 56.77 1nfa s HIS 94 Cb -0.00 0.24 -0.03 0.00 -0.13 0.00 0.00 32.58 32.65 1nfa s HIS 94 CO 0.00 -0.41 -0.14 -2.00 -2.47 0.00 0.00 174.74 169.72 1nfa s GLU 95 N -0.58 2.15 -0.07 2.88 2.12 -1.26 -2.51 118.70 121.43 1nfa s GLU 95 Ca -0.07 -0.95 -0.03 0.00 0.36 0.00 0.00 54.97 54.28 1nfa s GLU 95 Cb -0.03 -2.26 0.04 0.00 0.26 0.00 0.00 34.13 32.14 1nfa s GLU 95 CO 0.04 0.54 0.14 0.00 -0.54 0.00 0.00 175.26 175.45 1nfa s ALA 96 N -1.00 -0.12 -0.02 6.30 0.00 -1.15 -4.98 121.76 120.78 1nfa s ALA 96 Ca 0.16 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1nfa s ALA 96 Cb -0.11 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1nfa s ALA 96 CO 0.07 -0.46 -0.04 -1.50 0.00 0.00 0.00 175.76 173.83 1nfa s ILE 97 N 2.01 0.43 -0.40 0.00 -1.16 -1.26 -1.03 121.20 119.80 1nfa s ILE 97 Ca 0.00 -0.15 0.10 0.00 -0.51 0.00 0.00 60.65 60.09 1nfa s ILE 97 Cb -0.12 -0.42 0.30 0.00 0.61 0.00 0.00 42.46 42.83 1nfa s ILE 97 CO -0.05 0.16 0.65 0.00 -2.81 0.00 0.00 174.94 172.89 1nfa n LEU 98 N 3.50 0.79 -2.02 8.50 -0.00 -0.59 -4.99 117.00 122.18 1nfa n LEU 98 Ca -0.20 -4.91 0.00 0.00 -0.00 0.00 0.00 56.01 50.90 1nfa n LEU 98 Cb 0.54 0.58 0.00 0.00 -0.00 0.00 0.00 43.42 44.55 1nfa n LEU 98 CO 0.24 2.19 -0.44 -1.54 -0.00 0.00 0.00 177.39 177.84 1nfa n SER 99 N 0.78 -8.55 -3.79 1.45 3.41 -1.26 -4.27 113.62 101.40 1nfa n SER 99 Ca 0.24 1.38 -0.29 0.00 -0.26 0.00 0.00 58.87 59.94 1nfa n SER 99 Cb 0.58 -4.78 -0.03 0.00 -0.26 0.00 0.00 64.21 59.72 1nfa n SER 99 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1nfa n ASN 100 N 1.74 -2.63 -3.01 4.04 6.94 -1.26 -4.85 115.26 116.23 1nfa n ASN 100 Ca 0.00 -0.65 -0.02 0.00 -0.02 0.00 0.00 54.58 53.88 1nfa n ASN 100 Cb 0.00 -2.22 -0.00 0.00 -2.36 0.00 0.00 39.78 35.19 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 -2.96 -0.96 -0.61 5.53 2.01 -1.26 -4.93 115.64 112.46 1nfa s THR 101 Ca 0.55 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 1nfa s THR 101 Cb -0.31 -0.04 0.16 0.00 0.01 0.00 0.00 72.50 72.32 1nfa s THR 101 CO 0.68 -0.04 0.49 -0.75 -0.69 0.00 0.00 174.62 174.31 1nfa s LYS 102 N 1.35 2.83 0.51 4.92 2.47 -1.26 -1.54 119.74 129.02 1nfa s LYS 102 Ca 0.23 -2.14 0.05 0.00 -1.56 0.00 0.00 55.97 52.55 1nfa s LYS 102 Cb -0.02 -4.04 0.04 0.00 -1.46 0.00 0.00 37.83 32.34 1nfa s LYS 102 CO -0.06 -1.23 0.71 0.14 0.16 0.00 0.00 175.35 175.07 1nfa s VAL 103 N 0.71 2.71 -0.03 4.02 -7.23 -0.20 -4.77 120.40 115.60 1nfa s VAL 103 Ca 0.12 -0.82 -0.01 0.00 -1.81 0.00 0.00 61.98 59.45 1nfa s VAL 103 Cb -0.21 -2.88 0.03 0.00 0.56 0.00 0.00 36.38 33.88 1nfa s VAL 103 CO -0.03 0.00 0.05 -0.22 -0.31 0.00 0.00 175.10 174.59 1nfa s LEU 104 N -4.62 0.41 -0.02 1.32 1.98 -1.15 -2.95 118.68 113.66 1nfa s LEU 104 Ca 0.58 0.07 0.07 0.00 -2.89 0.00 0.00 54.13 51.95 1nfa s LEU 104 Cb -0.09 -0.13 -0.02 0.00 0.66 0.00 0.00 46.19 46.61 1nfa s LEU 104 CO 0.37 -0.21 -0.22 -1.61 -1.89 0.00 0.00 176.35 172.78 1nfa s GLU 105 N 1.86 1.78 -0.25 1.98 0.41 -1.04 -3.15 118.70 120.28 1nfa s GLU 105 Ca 0.01 -0.79 -0.00 0.00 -0.41 0.00 0.00 54.97 53.78 1nfa s GLU 105 Cb -0.12 -1.72 0.07 0.00 -1.78 0.00 0.00 34.13 30.58 1nfa s GLU 105 CO -0.03 0.47 0.01 0.42 -0.49 0.00 0.00 175.26 175.64 1nfa s ILE 106 N -0.52 1.17 -0.49 -1.63 1.01 -1.22 -1.05 121.20 118.46 1nfa s ILE 106 Ca 0.08 -1.15 -0.28 0.00 0.00 0.00 0.00 60.65 59.30 1nfa s ILE 106 Cb -0.08 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.78 1nfa s ILE 106 CO -0.01 -0.28 1.36 -2.16 0.00 0.00 0.00 174.94 173.85 1nfa s PRO 107 N 1.54 3.48 0.16 2.79 0.04 -1.26 -1.54 135.00 140.20 1nfa s PRO 107 Ca -0.00 0.64 -0.07 0.00 0.04 0.00 0.00 61.00 61.60 1nfa s PRO 107 Cb -0.18 -4.05 -0.01 0.00 0.04 0.00 0.00 34.50 30.30 1nfa s PRO 107 CO -0.11 -1.70 0.24 -0.48 0.04 0.00 0.00 177.00 174.99 1nfa s LEU 108 N 5.50 1.13 -0.65 -3.56 2.34 -0.49 -4.74 118.68 118.22 1nfa s LEU 108 Ca 0.54 -0.94 0.02 0.00 0.06 0.00 0.00 54.13 53.82 1nfa s LEU 108 Cb -0.11 1.01 0.16 0.00 -0.56 0.00 0.00 46.19 46.69 1nfa s LEU 108 CO 0.29 -0.86 0.44 -0.22 -1.06 0.00 0.00 176.35 174.94 1nfa s LEU 109 N -2.98 4.84 -0.04 1.48 0.20 -1.26 -1.84 118.68 119.07 1nfa s LEU 109 Ca 0.18 -3.33 0.00 0.00 0.69 0.00 0.00 54.13 51.67 1nfa s LEU 109 Cb 0.04 -1.72 0.06 0.00 -0.43 0.00 0.00 46.19 44.14 1nfa s LEU 109 CO 0.00 -0.21 1.13 -0.81 -0.29 0.00 0.00 176.35 176.18 1nfa n PRO 110 N 2.74 1.12 -2.00 0.98 -0.04 -1.26 -4.41 135.00 132.12 1nfa n PRO 110 Ca 0.12 -0.28 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 1nfa n PRO 110 Cb 0.35 -1.11 0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.40 2.85 0.19 0.54 -0.58 -1.26 -4.57 120.64 118.20 1nfa n GLU 111 Ca 0.06 -3.67 0.00 0.00 -0.42 0.00 0.00 57.16 53.13 1nfa n GLU 111 Cb 0.60 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 1nfa n GLU 111 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1nfa n ASN 112 N -0.53 -3.42 0.00 1.62 2.85 -1.26 -4.72 115.26 109.79 1nfa n ASN 112 Ca 0.52 0.77 0.00 0.00 -0.11 0.00 0.00 54.58 55.76 1nfa n ASN 112 Cb 0.30 3.27 0.00 0.00 1.24 0.00 0.00 39.78 44.58 1nfa n ASN 112 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1nfa n SER 113 N -3.28 0.00 -3.66 1.20 3.41 -1.26 -5.15 113.62 104.87 1nfa n SER 113 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1nfa n SER 113 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1nfa n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfa s MET 114 N 0.00 0.48 -0.15 4.33 0.23 -1.26 -5.12 119.30 117.80 1nfa s MET 114 Ca 0.00 1.08 -0.15 0.00 -1.03 0.00 0.00 55.69 55.59 1nfa s MET 114 Cb 0.00 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.54 1nfa s MET 114 CO 0.00 -0.19 0.36 0.50 -2.03 0.00 0.00 175.02 173.66 1nfa s ARG 115 N 2.09 4.28 -0.45 3.16 3.52 -1.26 -4.60 118.95 125.68 1nfa s ARG 115 Ca -0.07 0.22 -0.07 0.00 -0.13 0.00 0.00 55.73 55.69 1nfa s ARG 115 Cb -0.09 -3.44 0.12 0.00 -1.56 0.00 0.00 34.95 29.98 1nfa s ARG 115 CO -0.16 0.19 0.30 0.00 -0.81 0.00 0.00 175.30 174.83 1nfa s ALA 116 N 0.57 3.31 0.18 6.12 0.00 -0.29 -5.01 121.76 126.64 1nfa s ALA 116 Ca 0.20 -2.56 -0.19 0.00 0.00 0.00 0.00 51.96 49.40 1nfa s ALA 116 Cb -0.14 -2.67 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 1nfa s ALA 116 CO 0.06 -1.87 0.68 0.14 0.00 0.00 0.00 175.76 174.76 1nfa s VAL 117 N 1.23 4.62 -0.07 0.00 -7.23 -1.26 -1.47 120.40 116.22 1nfa s VAL 117 Ca 0.07 1.25 -0.00 0.00 -1.81 0.00 0.00 61.98 61.49 1nfa s VAL 117 Cb -0.25 -3.88 0.02 0.00 0.56 0.00 0.00 36.38 32.84 1nfa s VAL 117 CO -0.02 0.31 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.41 1nfa s ILE 118 N -1.40 0.63 -0.24 -0.62 1.01 -1.25 -4.57 121.20 114.76 1nfa s ILE 118 Ca 0.39 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.97 1nfa s ILE 118 Cb -0.18 -0.70 0.09 0.00 0.01 0.00 0.00 42.46 41.69 1nfa s ILE 118 CO 0.21 0.28 0.97 -0.90 0.00 0.00 0.00 174.94 175.50 1nfa n ASP 119 N 4.64 -0.92 -2.57 3.58 5.75 -1.26 -4.26 116.55 121.51 1nfa n ASP 119 Ca -0.15 -1.58 -0.11 0.00 -0.01 0.00 0.00 54.79 52.94 1nfa n ASP 119 Cb 0.50 0.72 0.03 0.00 -1.03 0.00 0.00 41.12 41.35 1nfa n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nfa s ALA 121 N -3.57 0.69 0.41 0.00 0.00 -1.26 -1.82 121.76 116.20 1nfa s ALA 121 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1nfa s ALA 121 Cb 0.38 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1nfa s ALA 121 CO -0.02 -0.08 0.21 0.41 0.00 0.00 0.00 175.76 176.28 1nfa n GLY 122 N 4.19 0.92 3.46 0.00 0.00 -1.25 -4.13 105.19 108.38 1nfa n GLY 122 Ca -0.23 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.37 1.58 0.12 -0.61 1.01 -1.26 -4.27 121.20 117.40 1nfa s ILE 123 Ca 0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 60.65 58.69 1nfa s ILE 123 Cb -0.01 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1nfa s ILE 123 CO 0.09 -0.17 0.07 -0.76 0.00 0.00 0.00 174.94 174.17 1nfa s LEU 124 N -3.49 1.78 -0.31 2.97 1.02 -1.26 -4.86 118.68 114.52 1nfa s LEU 124 Ca 0.32 -1.13 0.01 0.00 0.02 0.00 0.00 54.13 53.35 1nfa s LEU 124 Cb 0.06 0.39 0.14 0.00 0.02 0.00 0.00 46.19 46.80 1nfa s LEU 124 CO 0.14 -0.73 0.32 -0.54 0.02 0.00 0.00 176.35 175.56 1nfa s LYS 125 N -4.02 0.42 0.00 1.70 1.02 -1.26 -4.63 119.74 112.97 1nfa s LYS 125 Ca 0.20 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.83 1nfa s LYS 125 Cb 0.07 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.71 1nfa s LYS 125 CO -0.00 -1.08 0.00 1.28 -0.92 0.00 0.00 175.35 174.62 1nfa n LEU 126 N 4.98 0.00 0.00 3.17 7.99 -1.26 -5.05 117.00 126.83 1nfa n LEU 126 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 1nfa n LEU 126 Cb 0.46 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 1nfa n LEU 126 CO 0.03 -0.21 0.00 -2.11 -1.51 0.00 0.00 177.39 173.59 1nfa n ARG 127 N -0.43 0.00 -2.95 3.23 1.85 -1.26 -5.04 116.66 112.07 1nfa n ARG 127 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1nfa n ARG 127 Cb 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.47 1nfa n ARG 127 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1nfa n ASN 128 N 0.00 -4.60 0.00 2.89 5.03 -1.26 -4.98 115.26 112.33 1nfa n ASN 128 Ca 0.00 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.91 1nfa n ASN 128 Cb 0.00 -4.18 0.00 0.00 -1.02 0.00 0.00 39.78 34.58 1nfa n ASN 128 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1nfa n SER 129 N -2.80 0.00 -2.68 6.41 3.41 -1.26 -5.09 113.62 111.60 1nfa n SER 129 Ca -0.11 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.46 1nfa n SER 129 Cb 0.61 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.66 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 0.13 -1.54 -3.92 4.04 -0.08 -1.26 -5.05 116.55 108.87 1nfa n ASP 130 Ca 0.00 -2.36 -0.43 0.00 -1.51 0.00 0.00 54.79 50.50 1nfa n ASP 130 Cb 0.00 1.35 0.01 0.00 2.34 0.00 0.00 41.12 44.82 1nfa n ASP 130 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nfa n ILE 131 N 0.49 4.78 -3.65 5.18 3.06 -1.26 -4.93 119.36 123.03 1nfa n ILE 131 Ca -0.02 -5.05 -0.10 0.00 -2.50 0.00 0.00 62.75 55.07 1nfa n ILE 131 Cb 0.74 -2.24 -0.04 0.00 0.54 0.00 0.00 39.64 38.64 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 -0.98 1.18 -0.27 9.51 8.01 -1.26 -5.05 118.70 129.84 1nfa s GLU 132 Ca 0.36 -0.75 -0.28 0.00 0.01 0.00 0.00 54.97 54.31 1nfa s GLU 132 Cb 0.08 0.49 -0.03 0.00 -4.31 0.00 0.00 34.13 30.36 1nfa s GLU 132 CO 0.05 -0.48 1.95 -0.51 0.01 0.00 0.00 175.26 176.28 1nfa s LEU 133 N -2.83 3.52 0.01 1.80 1.02 -1.26 -4.90 118.68 116.04 1nfa s LEU 133 Ca 0.05 1.57 -0.30 0.00 0.02 0.00 0.00 54.13 55.47 1nfa s LEU 133 Cb 0.01 -3.52 -0.08 0.00 0.02 0.00 0.00 46.19 42.61 1nfa s LEU 133 CO -0.09 -1.77 1.95 0.00 0.02 0.00 0.00 176.35 176.47 1nfa s ARG 134 N 5.84 4.08 0.00 1.70 1.04 -1.26 -4.87 118.95 125.48 1nfa s ARG 134 Ca 0.87 2.53 0.00 0.00 -1.04 0.00 0.00 55.73 58.09 1nfa s ARG 134 Cb -0.27 -4.16 0.00 0.00 -2.04 0.00 0.00 34.95 28.48 1nfa s ARG 134 CO 0.34 -1.02 0.00 0.36 -0.04 0.00 0.00 175.30 174.94 1nfa n LYS 135 N 7.59 -1.57 -1.97 3.89 2.85 -1.26 -5.11 118.16 122.57 1nfa n LYS 135 Ca 0.20 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.04 1nfa n LYS 135 Cb 0.42 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.77 1nfa n LYS 135 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1nfa s GLY 136 N 0.00 1.60 -0.12 2.58 0.00 -1.26 -4.87 107.32 105.25 1nfa s GLY 136 Ca 0.00 1.17 0.14 0.00 0.00 0.00 0.00 44.72 46.03 1nfa s GLY 136 CO 0.00 2.82 1.35 1.18 0.00 0.00 0.00 173.10 178.45 1nfa n GLU 137 N 5.48 2.85 -3.89 2.90 1.02 -1.26 -4.98 120.64 122.77 1nfa n GLU 137 Ca 0.15 -2.55 -0.37 0.00 -0.02 0.00 0.00 57.16 54.38 1nfa n GLU 137 Cb 0.41 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 1nfa n GLU 137 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1nfa s THR 138 N -2.20 5.48 0.00 2.62 -4.23 -1.26 -4.91 115.64 111.14 1nfa s THR 138 Ca 0.35 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1nfa s THR 138 Cb 0.26 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1nfa s THR 138 CO 0.11 0.61 0.00 0.47 -0.54 0.00 0.00 174.62 175.27 1nfa n ASP 139 N 2.04 0.00 -1.44 3.99 8.00 -1.26 -4.95 116.55 122.93 1nfa n ASP 139 Ca -0.20 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.33 1nfa n ASP 139 Cb 0.55 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.66 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 -1.43 0.01 0.00 0.53 -0.00 -1.26 -5.10 119.36 112.11 1nfa n ILE 140 Ca 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 62.75 61.88 1nfa n ILE 140 Cb 0.00 0.93 0.00 0.00 -0.00 0.00 0.00 39.64 40.57 1nfa n ILE 140 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1nfa n GLY 141 N 0.42 -0.57 0.34 3.28 0.00 -1.26 -4.69 105.19 102.71 1nfa n GLY 141 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1nfa n GLY 141 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nfa n ARG 142 N 0.00 0.00 -4.10 1.61 0.63 -1.26 -4.88 116.66 108.66 1nfa n ARG 142 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1nfa n ARG 142 Cb 0.00 -0.19 -0.09 0.00 0.45 0.00 0.00 32.46 32.63 1nfa n ARG 142 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1nfa s LYS 143 N -1.17 3.58 -0.02 -0.14 2.20 -1.26 -4.90 119.74 118.02 1nfa s LYS 143 Ca 0.00 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.33 1nfa s LYS 143 Cb 0.00 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1nfa s LYS 143 CO 0.00 0.50 -0.14 -0.80 -0.36 0.00 0.00 175.35 174.56 1nfa s ASN 144 N -0.28 4.10 -0.41 1.43 0.01 -1.26 -3.78 114.94 114.75 1nfa s ASN 144 Ca 0.08 -0.23 0.09 0.00 -0.71 0.00 0.00 52.86 52.09 1nfa s ASN 144 Cb -0.12 -0.85 0.38 0.00 0.41 0.00 0.00 41.25 41.07 1nfa s ASN 144 CO 0.02 0.32 1.24 0.41 -1.51 0.00 0.00 177.10 177.57 1nfa n THR 145 N 2.01 0.08 -4.08 1.60 -1.04 -1.26 -4.96 114.28 106.62 1nfa n THR 145 Ca -0.17 -1.74 -0.24 0.00 -2.04 0.00 0.00 64.05 59.86 1nfa n THR 145 Cb 0.52 1.06 -0.05 0.00 -1.82 0.00 0.00 70.33 70.05 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 -0.16 2.98 0.18 -2.82 1.04 -1.26 -3.64 118.95 115.26 1nfa s ARG 146 Ca 0.23 -0.92 -0.02 0.00 -1.04 0.00 0.00 55.73 53.98 1nfa s ARG 146 Cb 0.37 -2.65 -0.04 0.00 -2.04 0.00 0.00 34.95 30.60 1nfa s ARG 146 CO -0.07 0.45 0.12 0.14 -0.04 0.00 0.00 175.30 175.90 1nfa s VAL 147 N -1.93 0.04 -0.30 4.99 -7.23 -1.25 -4.51 120.40 110.21 1nfa s VAL 147 Ca 0.32 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1nfa s VAL 147 Cb -0.09 -2.32 0.15 0.00 0.56 0.00 0.00 36.38 34.68 1nfa s VAL 147 CO 0.25 -0.17 0.34 -0.13 -0.31 0.00 0.00 175.10 175.07 1nfa s ARG 148 N -4.11 0.37 -0.33 4.82 1.81 0.11 -4.49 118.95 117.13 1nfa s ARG 148 Ca 0.33 -0.11 -0.29 0.00 -1.72 0.00 0.00 55.73 53.94 1nfa s ARG 148 Cb 0.07 -0.55 0.02 0.00 -0.45 0.00 0.00 34.95 34.04 1nfa s ARG 148 CO 0.08 -1.04 1.09 -0.48 -0.68 0.00 0.00 175.30 174.27 1nfa s LEU 149 N 2.35 3.91 -0.36 2.53 2.34 -0.03 -1.67 118.68 127.74 1nfa s LEU 149 Ca 0.10 1.02 -0.23 0.00 0.06 0.00 0.00 54.13 55.08 1nfa s LEU 149 Cb -0.13 -3.54 0.01 0.00 -0.56 0.00 0.00 46.19 41.96 1nfa s LEU 149 CO -0.30 -0.92 0.80 -0.69 -1.06 0.00 0.00 176.35 174.18 1nfa s VAL 150 N 3.74 4.72 -0.31 1.48 1.01 -0.16 -1.03 120.40 129.84 1nfa s VAL 150 Ca 0.46 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 63.29 1nfa s VAL 150 Cb -0.12 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1nfa s VAL 150 CO 0.17 -0.44 0.09 -0.36 0.00 0.00 0.00 175.10 174.56 1nfa s PHE 151 N 3.13 3.18 0.10 5.22 0.08 0.30 -3.05 117.98 126.94 1nfa s PHE 151 Ca 0.32 -1.09 -0.13 0.00 0.12 0.00 0.00 56.93 56.15 1nfa s PHE 151 Cb -0.13 -2.27 0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1nfa s PHE 151 CO 0.17 -0.62 0.31 -0.98 -0.10 0.00 0.00 175.22 174.00 1nfa s ARG 152 N 1.48 0.95 -0.07 0.44 1.70 -1.19 0.57 118.95 122.84 1nfa s ARG 152 Ca 0.01 -0.78 -0.03 0.00 -0.47 0.00 0.00 55.73 54.46 1nfa s ARG 152 Cb -0.18 0.41 0.04 0.00 -0.57 0.00 0.00 34.95 34.65 1nfa s ARG 152 CO 0.03 -0.34 0.15 0.54 -1.08 0.00 0.00 175.30 174.59 1nfa s VAL 153 N -3.68 -0.08 -0.16 4.99 0.11 -0.63 -2.15 120.40 118.80 1nfa s VAL 153 Ca 0.03 0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 59.27 1nfa s VAL 153 Cb 0.03 -0.25 0.05 0.00 -1.53 0.00 0.00 36.38 34.68 1nfa s VAL 153 CO -0.11 0.09 -0.00 -1.00 -3.33 0.00 0.00 175.10 170.74 1nfa s HIS 154 N 1.34 1.25 -0.07 1.54 3.76 -1.26 -1.98 115.29 119.87 1nfa s HIS 154 Ca -0.07 -0.85 -0.07 0.00 -0.15 0.00 0.00 55.06 53.92 1nfa s HIS 154 Cb -0.12 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.42 1nfa s HIS 154 CO -0.06 -0.57 0.19 0.54 -0.85 0.00 0.00 174.74 173.99 1nfa s VAL 155 N 1.78 5.42 -0.25 -0.90 0.11 -0.75 -4.97 120.40 120.84 1nfa s VAL 155 Ca 0.00 0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.95 1nfa s VAL 155 Cb -0.16 -3.48 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1nfa s VAL 155 CO -0.07 0.52 1.40 -2.16 -3.33 0.00 0.00 175.10 171.46 1nfa s PRO 156 N -1.32 3.94 0.14 1.54 0.04 -1.26 -4.72 135.00 133.36 1nfa s PRO 156 Ca 0.20 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.73 1nfa s PRO 156 Cb -0.13 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1nfa s PRO 156 CO 0.09 -1.10 -0.07 1.14 0.04 0.00 0.00 177.00 177.10 1nfa s GLN 157 N 4.21 1.02 -0.03 4.56 0.00 -1.26 -5.09 119.66 123.07 1nfa s GLN 157 Ca 0.61 -1.45 -0.02 0.00 -0.00 0.00 0.00 55.36 54.51 1nfa s GLN 157 Cb -0.20 -0.46 -0.01 0.00 0.00 0.00 0.00 33.01 32.33 1nfa s GLN 157 CO 0.24 0.01 0.15 -1.00 0.00 0.00 0.00 175.29 174.69 1nfa h PRO 158 N 2.80 -0.06 0.00 9.60 0.13 -2.01 -3.43 132.00 139.03 1nfa h PRO 158 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1nfa h PRO 158 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1nfa h PRO 158 CO 0.64 -0.04 0.00 0.45 -0.23 0.00 0.00 178.00 178.82 1nfa n SER 159 N -3.15 0.00 0.00 1.44 2.88 -1.26 -5.00 113.62 108.53 1nfa n SER 159 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1nfa n SER 159 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 0.00 0.48 3.58 0.46 0.00 -1.26 -5.04 105.19 103.41 1nfa n GLY 160 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 3.84 0.00 1.61 0.52 -1.26 -4.52 118.95 119.14 1nfa s ARG 161 Ca 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.31 1nfa s ARG 161 Cb 0.00 -5.51 0.00 0.00 0.52 0.00 0.00 34.95 29.96 1nfa s ARG 161 CO 0.00 -2.41 0.00 2.41 0.02 0.00 0.00 175.30 175.32 1nfa n THR 162 N 6.54 0.00 -3.45 0.02 -1.04 -1.26 -5.12 114.28 109.98 1nfa n THR 162 Ca 0.48 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.33 1nfa n THR 162 Cb 0.46 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.86 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 0.00 -0.26 -0.38 -4.42 2.96 -1.26 -4.84 118.68 110.48 1nfa s LEU 163 Ca 0.00 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1nfa s LEU 163 Cb 0.00 0.59 0.18 0.00 0.50 0.00 0.00 46.19 47.46 1nfa s LEU 163 CO 0.00 -0.32 0.70 -0.55 -1.32 0.00 0.00 176.35 174.86 1nfa s SER 164 N 2.39 -1.33 0.21 3.68 0.15 -1.25 -1.81 113.70 115.74 1nfa s SER 164 Ca 0.09 -0.54 0.11 0.00 0.70 0.00 0.00 55.95 56.31 1nfa s SER 164 Cb -0.16 1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 65.82 1nfa s SER 164 CO -0.15 -0.16 -0.23 -0.22 1.20 0.00 0.00 173.24 173.69 1nfa s LEU 165 N 2.02 2.46 0.01 3.45 1.98 -0.84 -4.98 118.68 122.78 1nfa s LEU 165 Ca 0.15 -0.90 0.03 0.00 -2.89 0.00 0.00 54.13 50.52 1nfa s LEU 165 Cb -0.04 -1.11 -0.01 0.00 0.66 0.00 0.00 46.19 45.69 1nfa s LEU 165 CO -0.11 0.09 -0.08 -1.58 -1.89 0.00 0.00 176.35 172.77 1nfa s GLN 166 N -2.85 0.62 0.10 1.98 0.74 -1.26 -1.60 119.66 117.39 1nfa s GLN 166 Ca 0.22 -0.40 -0.08 0.00 0.05 0.00 0.00 55.36 55.15 1nfa s GLN 166 Cb -0.07 -0.57 -0.01 0.00 1.10 0.00 0.00 33.01 33.46 1nfa s GLN 166 CO 0.10 0.15 0.18 0.08 -0.55 0.00 0.00 175.29 175.25 1nfa s VAL 167 N -0.45 0.13 -0.36 1.34 1.01 0.19 -4.94 120.40 117.33 1nfa s VAL 167 Ca 0.01 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 60.71 1nfa s VAL 167 Cb -0.05 -1.49 0.16 0.00 0.00 0.00 0.00 36.38 35.01 1nfa s VAL 167 CO 0.00 -0.61 0.43 0.00 0.00 0.00 0.00 175.10 174.92 1nfa s ALA 168 N -3.90 -0.98 0.57 5.51 0.00 -1.26 -0.54 121.76 121.16 1nfa s ALA 168 Ca 0.08 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 1nfa s ALA 168 Cb 0.05 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 1nfa s ALA 168 CO -0.08 -2.06 0.94 -1.12 0.00 0.00 0.00 175.76 173.44 1nfa s SER 169 N 1.79 6.17 -0.35 0.00 0.01 -0.20 -4.85 113.70 116.27 1nfa s SER 169 Ca 0.15 1.20 0.03 0.00 1.31 0.00 0.00 55.95 58.63 1nfa s SER 169 Cb -0.12 -2.33 0.31 0.00 0.21 0.00 0.00 66.02 64.09 1nfa s SER 169 CO -0.11 -0.80 1.31 -0.46 0.41 0.00 0.00 173.24 173.60 1nfa n ASN 170 N -2.58 -1.42 -2.40 2.44 0.23 -1.26 -0.85 115.26 109.42 1nfa n ASN 170 Ca 0.04 -2.07 -0.21 0.00 -0.53 0.00 0.00 54.58 51.80 1nfa n ASN 170 Cb 0.55 1.14 -0.11 0.00 -2.08 0.00 0.00 39.78 39.27 1nfa n ASN 170 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1nfa n PRO 171 N 0.79 2.50 -3.69 -0.53 -0.04 -1.26 -4.80 135.00 127.97 1nfa n PRO 171 Ca -0.02 -1.65 -0.10 0.00 -0.04 0.00 0.00 63.50 61.68 1nfa n PRO 171 Cb 0.73 -2.19 -0.11 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.24 -0.14 -0.29 0.52 1.01 -1.26 -4.09 121.20 117.20 1nfa s ILE 172 Ca 0.65 0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.44 1nfa s ILE 172 Cb 0.31 -0.59 0.18 0.00 0.01 0.00 0.00 42.46 42.36 1nfa s ILE 172 CO -0.07 0.05 0.49 -1.83 0.00 0.00 0.00 174.94 173.58 1nfa s GLU 173 N 1.62 0.48 0.70 2.79 -1.05 -1.26 -3.88 118.70 118.10 1nfa s GLU 173 Ca -0.08 0.43 -0.03 0.00 -0.15 0.00 0.00 54.97 55.14 1nfa s GLU 173 Cb -0.09 -0.02 0.10 0.00 -0.44 0.00 0.00 34.13 33.68 1nfa s GLU 173 CO -0.12 -0.95 0.98 0.00 0.95 0.00 0.00 175.26 176.11 1nfa n SER 175 N -2.82 0.00 0.20 0.00 3.41 -1.25 -4.41 113.62 108.75 1nfa n SER 175 Ca 0.12 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.90 1nfa n SER 175 Cb 0.60 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.22 1nfa n SER 175 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1nfa h GLN 176 N 0.00 0.00 0.00 4.33 4.15 -1.84 -2.86 115.11 118.90 1nfa h GLN 176 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1nfa h GLN 176 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1nfa h GLN 176 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 178.83 174.77 1nfa n ARG 177 N -3.18 0.00 0.00 1.69 0.63 -1.26 -5.07 116.66 109.47 1nfa n ARG 177 Ca 0.04 0.43 0.01 0.00 -0.92 0.00 0.00 57.85 57.41 1nfa n ARG 177 Cb 0.64 -1.20 0.08 0.00 0.45 0.00 0.00 32.46 32.44 1nfa n ARG 177 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99