#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 0.00 -2.89 0.03 4.81 -1.26 -5.07 118.16 113.77 1nfa n LYS 2 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1nfa n LYS 2 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1nfa n LYS 2 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nfa n ASP 3 N 0.00 3.74 -0.13 3.14 9.92 -1.26 -4.85 116.55 127.11 1nfa n ASP 3 Ca 0.00 -3.53 -0.10 0.00 -0.53 0.00 0.00 54.79 50.63 1nfa n ASP 3 Cb 0.00 -0.55 0.03 0.00 -0.64 0.00 0.00 41.12 39.96 1nfa n ASP 3 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1nfa h TRP 4 N 2.92 1.04 0.00 1.24 0.09 -2.10 -3.43 115.95 115.70 1nfa h TRP 4 Ca 0.14 -0.26 0.00 0.00 0.09 0.00 0.00 58.89 58.87 1nfa h TRP 4 Cb 0.69 -0.24 0.00 0.00 0.08 0.00 0.00 29.16 29.69 1nfa h TRP 4 CO 0.75 1.05 0.00 0.94 0.09 0.00 0.00 178.44 181.27 1nfa n GLN 5 N -4.10 0.00 -3.87 0.12 7.27 -1.26 -5.10 117.38 110.44 1nfa n GLN 5 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 1nfa n GLN 5 Cb 0.46 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.00 1nfa n GLN 5 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1nfa s LEU 6 N 0.00 4.77 -1.28 1.69 2.01 -1.26 -5.01 118.68 119.60 1nfa s LEU 6 Ca 0.00 -3.42 -0.19 0.00 0.01 0.00 0.00 54.13 50.53 1nfa s LEU 6 Cb 0.00 -1.70 0.04 0.00 0.01 0.00 0.00 46.19 44.54 1nfa s LEU 6 CO 0.00 -0.18 1.78 -0.81 1.01 0.00 0.00 176.35 178.15 1nfa n PRO 7 N 2.60 2.90 -2.70 1.29 -0.04 -1.26 -4.47 135.00 133.32 1nfa n PRO 7 Ca 0.13 -3.12 -0.02 0.00 -0.04 0.00 0.00 63.50 60.45 1nfa n PRO 7 Cb 0.34 -3.54 0.11 0.00 -0.04 0.00 0.00 33.50 30.38 1nfa n PRO 7 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1nfa n SER 8 N 9.46 -0.86 -4.00 3.54 3.41 -1.26 -5.13 113.62 118.78 1nfa n SER 8 Ca 0.48 -2.22 -0.14 0.00 -0.26 0.00 0.00 58.87 56.73 1nfa n SER 8 Cb 0.46 0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 64.79 1nfa n SER 8 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1nfa s HIS 9 N -0.69 1.28 -0.39 7.33 3.76 -1.26 -5.09 115.29 120.23 1nfa s HIS 9 Ca 0.14 -1.43 0.06 0.00 -0.15 0.00 0.00 55.06 53.68 1nfa s HIS 9 Cb 0.42 -0.58 0.30 0.00 1.11 0.00 0.00 32.58 33.83 1nfa s HIS 9 CO -0.10 -0.70 1.24 0.43 -0.85 0.00 0.00 174.74 174.75 1nfa n SER 10 N -0.57 -1.78 -3.43 1.40 7.64 -1.26 -5.09 113.62 110.54 1nfa n SER 10 Ca 0.03 -2.60 -0.21 0.00 1.01 0.00 0.00 58.87 57.10 1nfa n SER 10 Cb 0.65 1.34 -0.11 0.00 -1.01 0.00 0.00 64.21 65.08 1nfa n SER 10 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1nfa s GLY 11 N -0.85 0.12 0.00 0.23 0.00 -1.26 -5.14 107.32 100.42 1nfa s GLY 11 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1nfa s GLY 11 CO -0.08 2.49 0.00 -1.55 0.00 0.00 0.00 173.10 173.96 1nfa n PRO 12 N 4.95 0.61 -2.21 2.90 -0.04 -1.26 -4.69 135.00 135.26 1nfa n PRO 12 Ca 0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 1nfa n PRO 12 Cb 0.44 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.87 1nfa n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1nfa s TYR 13 N -0.30 3.24 -0.29 0.54 2.02 -0.61 -3.84 117.35 118.09 1nfa s TYR 13 Ca 0.00 1.25 -0.16 0.00 -0.37 0.00 0.00 57.07 57.79 1nfa s TYR 13 Cb 0.00 -3.61 0.17 0.00 -0.40 0.00 0.00 41.96 38.12 1nfa s TYR 13 CO 0.00 -1.87 1.07 -1.83 -1.57 0.00 0.00 175.55 171.35 1nfa s GLU 14 N -0.34 0.26 -0.75 -0.62 -1.05 -0.65 -4.91 118.70 110.64 1nfa s GLU 14 Ca 0.56 0.50 -0.06 0.00 -0.15 0.00 0.00 54.97 55.82 1nfa s GLU 14 Cb -0.37 0.14 0.19 0.00 -0.44 0.00 0.00 34.13 33.66 1nfa s GLU 14 CO 0.40 -0.06 0.62 -0.48 0.95 0.00 0.00 175.26 176.68 1nfa s LEU 15 N 1.60 5.71 0.04 1.83 0.05 -1.26 -1.88 118.68 124.77 1nfa s LEU 15 Ca -0.07 -3.03 -0.00 0.00 0.05 0.00 0.00 54.13 51.08 1nfa s LEU 15 Cb -0.04 -1.97 -0.04 0.00 -2.05 0.00 0.00 46.19 42.10 1nfa s LEU 15 CO -0.14 -0.37 0.16 -0.60 -0.55 0.00 0.00 176.35 174.84 1nfa s ARG 16 N -0.34 3.28 0.35 1.48 6.06 -1.24 -4.91 118.95 123.64 1nfa s ARG 16 Ca 0.20 -0.46 -0.27 0.00 -2.50 0.00 0.00 55.73 52.70 1nfa s ARG 16 Cb -0.15 -2.97 -0.09 0.00 0.06 0.00 0.00 34.95 31.80 1nfa s ARG 16 CO -0.07 0.62 1.22 0.42 -2.50 0.00 0.00 175.30 174.99 1nfa s ILE 17 N -1.39 3.01 0.15 4.11 1.09 -1.26 -3.68 121.20 123.23 1nfa s ILE 17 Ca 0.30 0.95 0.02 0.00 -1.10 0.00 0.00 60.65 60.82 1nfa s ILE 17 Cb -0.13 -3.57 -0.17 0.00 -1.06 0.00 0.00 42.46 37.53 1nfa s ILE 17 CO 0.22 0.17 1.35 -0.08 -0.10 0.00 0.00 174.94 176.50 1nfa h GLU 18 N 3.13 0.20 -3.43 2.79 4.81 -1.89 -3.45 114.58 116.73 1nfa h GLU 18 Ca -0.48 -0.23 -0.24 0.00 -0.13 0.00 0.00 59.36 58.27 1nfa h GLU 18 Cb 1.23 0.07 -0.30 0.00 0.63 0.00 0.00 28.75 30.38 1nfa h GLU 18 CO 0.64 0.98 -0.63 0.08 -0.73 0.00 0.00 179.01 179.35 1nfa s VAL 19 N -3.14 -0.03 -0.33 0.32 1.01 -1.26 -5.03 120.40 111.94 1nfa s VAL 19 Ca -0.03 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1nfa s VAL 19 Cb 0.10 -0.16 0.10 0.00 0.00 0.00 0.00 36.38 36.42 1nfa s VAL 19 CO 0.83 0.04 0.06 -1.10 0.00 0.00 0.00 175.10 174.94 1nfa s GLN 20 N 0.64 1.30 1.00 2.72 -0.21 -1.26 -3.03 119.66 120.83 1nfa s GLN 20 Ca -0.05 -1.70 -0.17 0.00 0.02 0.00 0.00 55.36 53.46 1nfa s GLN 20 Cb -0.07 -2.93 0.24 0.00 1.00 0.00 0.00 33.01 31.25 1nfa s GLN 20 CO -0.03 -0.95 1.18 -0.35 -2.12 0.00 0.00 175.29 173.02 1nfa n PRO 21 N 4.38 -1.84 -0.94 2.91 -0.04 -1.26 -4.98 135.00 133.24 1nfa n PRO 21 Ca 0.03 -1.83 -0.36 0.00 -0.04 0.00 0.00 63.50 61.29 1nfa n PRO 21 Cb 0.42 -1.37 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 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 -3.99 -0.17 -2.47 0.54 5.02 -1.26 -4.90 118.16 110.94 1nfa n LYS 22 Ca 0.15 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 56.13 1nfa n LYS 22 Cb 0.55 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 2.23 4.78 -4.41 4.39 2.88 -1.26 -4.94 113.62 117.29 1nfa n SER 23 Ca -0.00 -3.72 -0.20 0.00 -1.33 0.00 0.00 58.87 53.61 1nfa n SER 23 Cb 0.60 -0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 63.48 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 -3.55 1.84 -0.30 0.66 -3.43 -1.26 -4.42 115.29 104.83 1nfa s HIS 24 Ca 0.48 -0.87 -0.15 0.00 -0.80 0.00 0.00 55.06 53.73 1nfa s HIS 24 Cb 0.40 -1.12 0.17 0.00 -1.43 0.00 0.00 32.58 30.60 1nfa s HIS 24 CO -0.20 0.08 1.00 -1.58 -2.00 0.00 0.00 174.74 172.04 1nfa s HIS 25 N -3.25 -0.67 -1.35 0.38 2.46 -1.26 -4.71 115.29 106.89 1nfa s HIS 25 Ca 0.32 1.08 -0.17 0.00 0.47 0.00 0.00 55.06 56.76 1nfa s HIS 25 Cb 0.06 0.37 0.06 0.00 -0.13 0.00 0.00 32.58 32.95 1nfa s HIS 25 CO 0.12 -0.34 1.90 2.89 -2.47 0.00 0.00 174.74 176.85 1nfa n ARG 26 N 5.03 3.09 -1.87 2.88 0.00 -1.26 -4.85 116.66 119.67 1nfa n ARG 26 Ca -0.08 -3.07 -0.42 0.00 -0.00 0.00 0.00 57.85 54.28 1nfa n ARG 26 Cb 0.53 -3.42 -0.00 0.00 -0.00 0.00 0.00 32.46 29.57 1nfa n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nfa n ALA 27 N 7.55 5.78 -2.71 2.89 0.00 -1.26 -4.39 120.51 128.37 1nfa n ALA 27 Ca 0.50 -3.98 -0.07 0.00 0.00 0.00 0.00 53.44 49.88 1nfa n ALA 27 Cb 0.44 -3.32 0.10 0.00 0.00 0.00 0.00 19.45 16.66 1nfa n ALA 27 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1nfa n HIS 28 N 4.96 -2.34 -3.15 0.00 -0.00 -1.26 -4.85 115.22 108.57 1nfa n HIS 28 Ca 0.52 -1.83 0.05 0.00 -0.00 0.00 0.00 57.72 56.46 1nfa n HIS 28 Cb 0.36 1.56 -0.03 0.00 -0.00 0.00 0.00 29.99 31.87 1nfa n HIS 28 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1nfa s TYR 29 N 0.21 -0.01 0.00 -1.40 1.13 -1.26 -5.11 117.35 110.91 1nfa s TYR 29 Ca 0.21 0.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.87 1nfa s TYR 29 Cb 0.31 0.00 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1nfa s TYR 29 CO -0.08 -0.00 0.00 -0.85 -2.51 0.00 0.00 175.55 172.11 1nfa n GLU 30 N 5.00 0.00 -1.74 -3.49 0.28 -1.26 -4.96 120.64 114.47 1nfa n GLU 30 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1nfa n GLU 30 Cb 0.55 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.44 1nfa n GLU 30 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1nfa n THR 31 N 0.00 0.24 0.00 3.84 -1.04 -1.26 -4.83 114.28 111.23 1nfa n THR 31 Ca 0.00 -1.15 0.00 0.00 -2.04 0.00 0.00 64.05 60.86 1nfa n THR 31 Cb 0.00 0.95 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 1nfa n THR 31 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1nfa n GLU 32 N 0.03 0.00 0.00 -2.82 -0.58 -1.26 -4.92 120.64 111.09 1nfa n GLU 32 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1nfa n GLU 32 Cb 0.97 -0.32 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 1nfa n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nfa n GLY 33 N 2.02 -1.69 0.00 0.62 0.00 -1.26 -4.98 105.19 99.90 1nfa n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -2.61 1.61 7.64 -1.26 -4.99 113.62 114.01 1nfa n SER 34 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1nfa n SER 34 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 1nfa n SER 34 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nfa n ARG 35 N -1.40 1.22 -0.46 1.43 1.74 -1.26 -4.99 116.66 112.94 1nfa n ARG 35 Ca 0.00 -1.27 -0.16 0.00 -0.77 0.00 0.00 57.85 55.66 1nfa n ARG 35 Cb 0.00 0.29 0.15 0.00 -1.02 0.00 0.00 32.46 31.88 1nfa n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nfa n GLY 36 N -1.23 -2.06 3.56 -0.13 0.00 -1.26 -5.02 105.19 99.06 1nfa n GLY 36 Ca -0.14 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.06 3.12 -0.08 4.61 0.00 -1.26 -5.01 121.76 121.08 1nfa s ALA 37 Ca 0.34 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1nfa s ALA 37 Cb -0.06 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.65 1nfa s ALA 37 CO 0.29 -0.26 -0.03 0.54 0.00 0.00 0.00 175.76 176.30 1nfa s VAL 38 N -3.13 0.57 -0.25 0.00 0.11 -1.26 -5.04 120.40 111.40 1nfa s VAL 38 Ca 0.22 -0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.19 1nfa s VAL 38 Cb 0.03 -0.68 0.13 0.00 -1.53 0.00 0.00 36.38 34.33 1nfa s VAL 38 CO 0.12 0.29 0.50 -0.54 -3.33 0.00 0.00 175.10 172.14 1nfa s LYS 39 N 1.76 0.44 0.00 1.54 -0.14 -1.26 -4.37 119.74 117.71 1nfa s LYS 39 Ca 0.03 1.03 0.00 0.00 -1.36 0.00 0.00 55.97 55.67 1nfa s LYS 39 Cb -0.13 0.34 0.00 0.00 -1.68 0.00 0.00 37.83 36.37 1nfa s LYS 39 CO -0.05 -0.38 0.00 0.00 -0.76 0.00 0.00 175.35 174.15 1nfa n ALA 40 N 5.41 0.00 -0.92 5.17 0.00 -1.26 -4.35 120.51 124.55 1nfa n ALA 40 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 1nfa n ALA 40 Cb 0.50 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.05 1nfa n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nfa n SER 41 N 0.00 -2.03 -4.25 0.00 7.64 -1.26 -1.68 113.62 112.03 1nfa n SER 41 Ca 0.00 0.39 -0.32 0.00 1.01 0.00 0.00 58.87 59.95 1nfa n SER 41 Cb 0.00 -1.19 -0.07 0.00 -1.01 0.00 0.00 64.21 61.94 1nfa n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nfa n ALA 42 N -3.24 -1.78 -4.09 -0.43 0.00 -1.26 0.18 120.51 109.89 1nfa n ALA 42 Ca 0.07 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.92 1nfa n ALA 42 Cb 0.53 -1.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.03 -0.29 5.19 0.00 0.00 -0.95 -3.49 105.19 103.63 1nfa n GLY 43 Ca -0.20 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.21 0.61 3.56 -0.02 0.00 0.13 -4.31 105.19 102.95 1nfa n GLY 44 Ca -0.28 0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 1nfa n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nfa n HIS 45 N 0.00 0.62 -0.77 1.61 8.25 -1.23 -4.80 115.22 118.90 1nfa n HIS 45 Ca 0.00 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 1nfa n HIS 45 Cb 0.00 -2.14 0.00 0.00 1.12 0.00 0.00 29.99 28.97 1nfa n HIS 45 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1nfa n PRO 46 N 0.16 0.16 -3.30 -0.41 -0.04 -1.26 -4.48 135.00 125.84 1nfa n PRO 46 Ca 0.11 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.31 1nfa n PRO 46 Cb 0.40 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.79 5.07 -0.02 0.52 -1.09 -1.17 -3.25 121.20 120.46 1nfa s ILE 47 Ca 0.00 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1nfa s ILE 47 Cb 0.00 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1nfa s ILE 47 CO 0.00 -0.52 -0.02 -0.69 -1.23 0.00 0.00 174.94 172.48 1nfa s VAL 48 N -2.29 0.30 -0.11 2.92 1.01 -0.88 -3.62 120.40 117.73 1nfa s VAL 48 Ca 0.42 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1nfa s VAL 48 Cb -0.10 -0.33 0.06 0.00 0.00 0.00 0.00 36.38 36.00 1nfa s VAL 48 CO 0.35 0.15 0.22 0.00 0.00 0.00 0.00 175.10 175.82 1nfa s GLN 49 N 0.66 0.10 -0.17 2.72 -2.07 -1.24 -2.87 119.66 116.78 1nfa s GLN 49 Ca -0.07 0.67 -0.24 0.00 -1.82 0.00 0.00 55.36 53.90 1nfa s GLN 49 Cb -0.10 -0.14 -0.02 0.00 -1.09 0.00 0.00 33.01 31.66 1nfa s GLN 49 CO -0.01 -0.29 0.75 -1.17 -1.32 0.00 0.00 175.29 173.25 1nfa s LEU 50 N 2.34 4.18 -0.03 2.60 0.20 -1.26 -3.64 118.68 123.06 1nfa s LEU 50 Ca 0.02 1.06 -0.01 0.00 0.69 0.00 0.00 54.13 55.88 1nfa s LEU 50 Cb -0.12 -3.10 0.03 0.00 -0.43 0.00 0.00 46.19 42.56 1nfa s LEU 50 CO -0.07 -0.33 0.06 -1.38 -0.29 0.00 0.00 176.35 174.34 1nfa s HIS 51 N 1.95 -0.04 0.00 5.38 -3.43 -0.79 -4.89 115.29 113.48 1nfa s HIS 51 Ca 0.35 0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.83 1nfa s HIS 51 Cb -0.16 -0.13 0.00 0.00 -1.43 0.00 0.00 32.58 30.85 1nfa s HIS 51 CO 0.12 -0.09 0.00 0.41 -2.00 0.00 0.00 174.74 173.18 1nfa n GLY 52 N 3.90 -0.32 2.90 -1.38 0.00 -1.25 -1.63 105.19 107.41 1nfa n GLY 52 Ca -0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1nfa n GLY 52 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nfa s TYR 53 N -0.30 1.58 -0.57 1.61 6.14 -1.26 -1.57 117.35 122.97 1nfa s TYR 53 Ca 0.00 -0.90 0.01 0.00 0.64 0.00 0.00 57.07 56.82 1nfa s TYR 53 Cb 0.00 -1.27 0.55 0.00 0.42 0.00 0.00 41.96 41.65 1nfa s TYR 53 CO 0.00 -0.56 1.99 1.47 0.64 0.00 0.00 175.55 179.08 1nfa n LEU 54 N 4.91 7.29 -4.78 6.97 -0.00 -1.26 -3.48 117.00 126.65 1nfa n LEU 54 Ca -0.12 -3.99 -0.37 0.00 -0.00 0.00 0.00 56.01 51.53 1nfa n LEU 54 Cb 0.49 -0.92 -0.06 0.00 -0.00 0.00 0.00 43.42 42.93 1nfa n LEU 54 CO 0.17 1.28 0.65 -0.70 -0.00 0.00 0.00 177.39 178.79 1nfa s GLU 55 N -3.59 4.59 -0.21 1.47 2.56 -1.26 -4.80 118.70 117.46 1nfa s GLU 55 Ca 0.61 1.33 0.00 0.00 0.00 0.00 0.00 54.97 56.92 1nfa s GLU 55 Cb 0.50 -2.82 0.22 0.00 2.00 0.00 0.00 34.13 34.03 1nfa s GLU 55 CO 0.04 0.29 1.66 0.27 -0.56 0.00 0.00 175.26 176.96 1nfa n ASN 56 N 0.59 4.66 -4.04 -1.70 2.04 -1.26 -3.35 115.26 112.20 1nfa n ASN 56 Ca 0.02 -2.77 -0.17 0.00 -0.44 0.00 0.00 54.58 51.22 1nfa n ASN 56 Cb 0.50 -0.83 -0.13 0.00 -2.53 0.00 0.00 39.78 36.78 1nfa n ASN 56 CO 0.00 0.00 0.00 -1.83 -0.44 0.00 0.00 177.26 174.99 1nfa s GLU 57 N -1.37 0.64 0.11 -3.83 -1.05 -1.26 -5.06 118.70 106.88 1nfa s GLU 57 Ca 0.23 -0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 54.26 1nfa s GLU 57 Cb 0.19 -0.57 -0.06 0.00 -0.44 0.00 0.00 34.13 33.25 1nfa s GLU 57 CO 0.02 0.14 1.01 -1.25 0.95 0.00 0.00 175.26 176.13 1nfa s PRO 58 N -0.76 4.64 0.34 -4.83 0.04 -1.26 -4.26 135.00 128.92 1nfa s PRO 58 Ca -0.01 1.53 0.09 0.00 0.04 0.00 0.00 61.00 62.65 1nfa s PRO 58 Cb -0.06 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1nfa s PRO 58 CO 0.00 0.12 0.03 -0.51 0.04 0.00 0.00 177.00 176.69 1nfa s LEU 59 N 0.08 3.01 -0.33 -3.56 1.43 -0.96 -4.95 118.68 113.41 1nfa s LEU 59 Ca 0.49 -0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 52.52 1nfa s LEU 59 Cb -0.25 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1nfa s LEU 59 CO 0.31 -0.26 0.14 -0.04 0.23 0.00 0.00 176.35 176.74 1nfa s MET 60 N -3.73 3.02 0.36 1.70 -1.94 -1.26 -1.03 119.30 116.41 1nfa s MET 60 Ca 0.35 -0.93 -0.27 0.00 -1.71 0.00 0.00 55.69 53.13 1nfa s MET 60 Cb -0.00 -3.55 -0.09 0.00 2.01 0.00 0.00 34.83 33.20 1nfa s MET 60 CO 0.20 -0.54 1.20 -1.17 -0.01 0.00 0.00 175.02 174.69 1nfa s LEU 61 N 1.54 4.33 -0.65 -0.03 0.20 -0.51 -4.66 118.68 118.90 1nfa s LEU 61 Ca 0.02 2.43 -0.16 0.00 0.69 0.00 0.00 54.13 57.12 1nfa s LEU 61 Cb -0.18 -3.83 0.15 0.00 -0.43 0.00 0.00 46.19 41.90 1nfa s LEU 61 CO 0.05 -0.53 0.63 -1.58 -0.29 0.00 0.00 176.35 174.63 1nfa s GLN 62 N -1.98 3.21 -0.09 1.98 0.74 -1.08 -3.36 119.66 119.08 1nfa s GLN 62 Ca 0.52 -1.90 0.04 0.00 0.05 0.00 0.00 55.36 54.07 1nfa s GLN 62 Cb -0.34 -4.36 -0.01 0.00 1.10 0.00 0.00 33.01 29.41 1nfa s GLN 62 CO 0.43 -1.36 -0.23 -1.17 -0.55 0.00 0.00 175.29 172.42 1nfa s LEU 63 N 1.31 2.17 0.13 3.68 2.96 -0.96 -3.36 118.68 124.61 1nfa s LEU 63 Ca 0.10 -0.51 -0.25 0.00 -0.22 0.00 0.00 54.13 53.25 1nfa s LEU 63 Cb -0.22 -1.42 0.07 0.00 0.50 0.00 0.00 46.19 45.11 1nfa s LEU 63 CO -0.01 0.19 0.86 0.72 -1.32 0.00 0.00 176.35 176.80 1nfa s PHE 64 N 0.14 -0.25 -0.25 5.38 -0.71 -1.25 -0.40 117.98 120.65 1nfa s PHE 64 Ca -0.12 -0.01 -0.08 0.00 -1.04 0.00 0.00 56.93 55.68 1nfa s PHE 64 Cb -0.16 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 1nfa s PHE 64 CO 0.07 -0.81 0.08 -1.50 -1.34 0.00 0.00 175.22 171.72 1nfa s ILE 65 N -3.39 4.48 0.06 -4.49 -1.16 -1.26 -2.92 121.20 112.52 1nfa s ILE 65 Ca 0.09 -0.12 0.04 0.00 -0.51 0.00 0.00 60.65 60.15 1nfa s ILE 65 Cb -0.02 -3.10 -0.03 0.00 0.61 0.00 0.00 42.46 39.93 1nfa s ILE 65 CO -0.02 0.34 -0.12 -0.83 -2.81 0.00 0.00 174.94 171.49 1nfa s GLY 66 N 1.52 0.74 0.45 1.50 0.00 -0.88 -3.82 107.32 106.82 1nfa s GLY 66 Ca 0.06 -0.89 -0.13 0.00 0.00 0.00 0.00 44.72 43.76 1nfa s GLY 66 CO 0.04 -0.91 0.86 -0.51 0.00 0.00 0.00 173.10 172.58 1nfa s THR 67 N -1.21 4.68 -0.30 0.90 -4.23 -0.25 0.11 115.64 115.34 1nfa s THR 67 Ca -0.04 0.88 -0.08 0.00 -1.18 0.00 0.00 61.69 61.27 1nfa s THR 67 Cb -0.09 -3.72 0.14 0.00 1.34 0.00 0.00 72.50 70.16 1nfa s THR 67 CO 0.02 -0.58 0.64 0.00 -0.54 0.00 0.00 174.62 174.16 1nfa s ALA 68 N -2.46 -2.07 -0.58 3.99 0.00 -1.26 -1.00 121.76 118.38 1nfa s ALA 68 Ca 0.54 2.24 0.19 0.00 0.00 0.00 0.00 51.96 54.93 1nfa s ALA 68 Cb -0.10 -1.84 -0.24 0.00 0.00 0.00 0.00 23.12 20.94 1nfa s ALA 68 CO 0.31 -1.00 0.67 -3.47 0.00 0.00 0.00 175.76 172.26 1nfa n ASP 69 N 5.44 0.77 0.09 0.00 2.03 -1.26 -4.79 116.55 118.83 1nfa n ASP 69 Ca -0.10 -0.61 0.00 0.00 0.52 0.00 0.00 54.79 54.60 1nfa n ASP 69 Cb 0.49 1.31 0.00 0.00 -0.72 0.00 0.00 41.12 42.21 1nfa n ASP 69 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1nfa n ASP 70 N -1.70 -0.38 0.00 1.67 -0.08 -1.26 -5.06 116.55 109.74 1nfa n ASP 70 Ca 0.01 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1nfa n ASP 70 Cb 0.37 0.50 0.00 0.00 2.34 0.00 0.00 41.12 44.33 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 -3.03 0.00 -1.88 -0.67 0.63 -1.26 -5.05 116.66 105.40 1nfa n ARG 71 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 1nfa n ARG 71 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 1nfa n ARG 71 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1nfa s LEU 72 N -0.86 2.97 0.76 6.15 1.43 -1.26 -4.92 118.68 122.95 1nfa s LEU 72 Ca 0.00 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.20 1nfa s LEU 72 Cb 0.00 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1nfa s LEU 72 CO 0.00 -3.34 0.39 0.00 0.23 0.00 0.00 176.35 173.63 1nfa n LEU 73 N 15.91 0.01 -3.98 1.79 -0.00 -1.26 -4.77 117.00 124.69 1nfa n LEU 73 Ca 0.43 0.53 -0.09 0.00 -0.00 0.00 0.00 56.01 56.88 1nfa n LEU 73 Cb 0.46 -1.17 -0.08 0.00 -0.00 0.00 0.00 43.42 42.63 1nfa n LEU 73 CO 0.60 -3.46 -0.17 -0.13 -0.00 0.00 0.00 177.39 174.23 1nfa s ARG 74 N -2.73 0.88 -0.15 1.47 3.00 -0.17 -4.94 118.95 116.31 1nfa s ARG 74 Ca 0.62 -1.15 -0.29 0.00 0.00 0.00 0.00 55.73 54.91 1nfa s ARG 74 Cb -0.33 0.30 -0.01 0.00 0.00 0.00 0.00 34.95 34.91 1nfa s ARG 74 CO 0.61 -0.27 1.20 -1.25 0.00 0.00 0.00 175.30 175.59 1nfa s PRO 75 N -3.93 4.27 1.02 3.54 0.04 -1.26 -1.09 135.00 137.58 1nfa s PRO 75 Ca 0.12 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.64 1nfa s PRO 75 Cb 0.06 -3.70 0.17 0.00 0.04 0.00 0.00 34.50 31.07 1nfa s PRO 75 CO -0.06 -0.63 0.87 1.58 0.04 0.00 0.00 177.00 178.80 1nfa n HIS 76 N 6.24 -0.36 0.00 0.56 -0.00 -1.25 -4.76 115.22 115.65 1nfa n HIS 76 Ca 0.13 0.19 0.00 0.00 0.46 0.00 0.00 57.72 58.50 1nfa n HIS 76 Cb 0.45 -1.84 0.00 0.00 -0.12 0.00 0.00 29.99 28.49 1nfa n HIS 76 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nfa n ALA 77 N -4.37 -0.12 -1.42 1.57 0.00 -1.26 -4.56 120.51 110.35 1nfa n ALA 77 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.58 1nfa n ALA 77 Cb 0.54 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.10 1nfa n ALA 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nfa n PHE 78 N -1.06 0.00 -2.23 0.00 3.01 -1.26 -4.83 117.46 111.08 1nfa n PHE 78 Ca 0.00 -0.82 -0.43 0.00 1.01 0.00 0.00 57.45 57.21 1nfa n PHE 78 Cb 0.00 -0.14 -0.00 0.00 -0.01 0.00 0.00 39.48 39.33 1nfa n PHE 78 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1nfa n TYR 79 N -0.98 4.20 -0.95 1.38 4.02 -1.26 -4.26 117.16 119.31 1nfa n TYR 79 Ca 0.12 -2.88 0.00 0.00 -0.01 0.00 0.00 57.90 55.13 1nfa n TYR 79 Cb 0.69 -2.60 0.00 0.00 -0.02 0.00 0.00 39.34 37.40 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 7.48 0.04 -2.71 -0.72 10.64 -1.26 -4.75 117.38 126.10 1nfa n GLN 80 Ca 0.50 -0.26 -0.37 0.00 -1.83 0.00 0.00 57.00 55.05 1nfa n GLN 80 Cb 0.43 -0.53 -0.06 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 4.07 -0.33 -0.39 -7.23 -1.26 -4.96 120.40 110.28 1nfa s VAL 81 Ca 0.00 1.68 0.04 0.00 -1.81 0.00 0.00 61.98 61.89 1nfa s VAL 81 Cb 0.00 -3.92 0.31 0.00 0.56 0.00 0.00 36.38 33.34 1nfa s VAL 81 CO 0.00 0.10 1.37 0.00 -0.31 0.00 0.00 175.10 176.26 1nfa n HIS 82 N 0.39 -0.58 -2.83 2.82 1.44 -1.26 -3.29 115.22 111.91 1nfa n HIS 82 Ca 0.03 -0.83 -0.40 0.00 -2.01 0.00 0.00 57.72 54.51 1nfa n HIS 82 Cb 0.50 1.21 -0.06 0.00 0.12 0.00 0.00 29.99 31.76 1nfa n HIS 82 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1nfa s ARG 83 N 0.05 4.75 -0.12 -1.40 1.81 -1.24 -4.71 118.95 118.09 1nfa s ARG 83 Ca 0.19 1.37 -0.04 0.00 -1.72 0.00 0.00 55.73 55.54 1nfa s ARG 83 Cb 0.28 -3.26 -0.03 0.00 -0.45 0.00 0.00 34.95 31.49 1nfa s ARG 83 CO -0.18 0.53 0.01 0.42 -0.68 0.00 0.00 175.30 175.40 1nfa s ILE 84 N -1.18 4.39 0.00 1.52 1.09 -1.22 -4.11 121.20 121.69 1nfa s ILE 84 Ca 0.39 -0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.74 1nfa s ILE 84 Cb -0.25 -2.90 0.00 0.00 -1.06 0.00 0.00 42.46 38.26 1nfa s ILE 84 CO 0.30 0.55 0.00 0.35 -0.10 0.00 0.00 174.94 176.04 1nfa n THR 85 N 2.74 0.00 0.00 2.92 -2.24 -1.26 -5.02 114.28 111.43 1nfa n THR 85 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1nfa n THR 85 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.54 3.79 3.38 0.00 -1.26 -4.38 105.19 107.26 1nfa n GLY 86 Ca 0.00 0.38 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 1nfa n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfa s LYS 87 N 0.00 3.93 -0.29 1.61 1.02 -1.26 -5.01 119.74 119.73 1nfa s LYS 87 Ca 0.00 1.46 -0.11 0.00 0.02 0.00 0.00 55.97 57.34 1nfa s LYS 87 Cb 0.00 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1nfa s LYS 87 CO 0.00 -0.34 0.19 0.95 -0.92 0.00 0.00 175.35 175.23 1nfa s THR 88 N -1.81 5.13 -0.08 2.17 -4.23 -1.26 -5.06 115.64 110.50 1nfa s THR 88 Ca 0.63 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1nfa s THR 88 Cb -0.20 -3.50 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 1nfa s THR 88 CO 0.24 0.18 -0.04 0.54 -0.54 0.00 0.00 174.62 175.00 1nfa s VAL 89 N 1.72 3.97 -1.24 2.29 0.11 -1.26 -4.98 120.40 121.00 1nfa s VAL 89 Ca 0.06 -0.38 0.06 0.00 -2.93 0.00 0.00 61.98 58.80 1nfa s VAL 89 Cb -0.16 -2.65 0.26 0.00 -1.53 0.00 0.00 36.38 32.30 1nfa s VAL 89 CO 0.10 0.60 1.03 -1.20 -3.33 0.00 0.00 175.10 172.29 1nfa n SER 90 N 2.26 2.12 -4.69 3.54 7.64 -1.26 -4.88 113.62 118.35 1nfa n SER 90 Ca -0.18 -2.19 -0.42 0.00 1.01 0.00 0.00 58.87 57.08 1nfa n SER 90 Cb 0.53 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 1nfa n SER 90 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1nfa s THR 91 N -1.63 3.59 -0.85 0.44 -1.32 -1.26 -4.95 115.64 109.66 1nfa s THR 91 Ca 0.18 1.01 -0.17 0.00 -1.21 0.00 0.00 61.69 61.50 1nfa s THR 91 Cb 0.12 -3.65 0.16 0.00 -1.51 0.00 0.00 72.50 67.62 1nfa s THR 91 CO 0.08 0.01 0.95 -0.89 -2.21 0.00 0.00 174.62 172.56 1nfa s THR 92 N 2.21 5.06 0.47 5.08 2.01 -1.26 -5.02 115.64 124.19 1nfa s THR 92 Ca 0.65 -1.83 0.08 0.00 0.31 0.00 0.00 61.69 60.90 1nfa s THR 92 Cb -0.33 -4.63 0.02 0.00 0.01 0.00 0.00 72.50 67.57 1nfa s THR 92 CO 0.28 -1.29 0.55 -0.94 -0.69 0.00 0.00 174.62 172.52 1nfa s SER 93 N 3.09 5.20 0.11 3.53 1.04 -1.26 -3.86 113.70 121.55 1nfa s SER 93 Ca 0.25 -0.73 -0.07 0.00 0.48 0.00 0.00 55.95 55.87 1nfa s SER 93 Cb -0.09 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1nfa s SER 93 CO -0.07 -0.92 0.18 -2.28 0.98 0.00 0.00 173.24 171.12 1nfa s HIS 94 N -2.52 0.31 -0.12 5.02 2.46 -0.81 -4.92 115.29 114.71 1nfa s HIS 94 Ca 0.52 -0.73 -0.00 0.00 0.47 0.00 0.00 55.06 55.32 1nfa s HIS 94 Cb -0.06 -0.13 0.02 0.00 -0.13 0.00 0.00 32.58 32.29 1nfa s HIS 94 CO 0.31 -0.56 -0.09 -1.21 -2.47 0.00 0.00 174.74 170.72 1nfa s GLU 95 N -3.91 1.69 -0.17 2.88 2.02 -1.26 -2.31 118.70 117.64 1nfa s GLU 95 Ca 0.10 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 1nfa s GLU 95 Cb 0.05 -1.68 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 1nfa s GLU 95 CO -0.07 -0.25 -0.11 0.00 0.02 0.00 0.00 175.26 174.85 1nfa s ALA 96 N 1.61 2.65 -0.10 5.21 0.00 -0.87 -4.91 121.76 125.34 1nfa s ALA 96 Ca 0.04 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1nfa s ALA 96 Cb -0.13 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.61 1nfa s ALA 96 CO -0.08 -0.11 -0.16 -1.50 0.00 0.00 0.00 175.76 173.91 1nfa s ILE 97 N 0.93 1.55 -0.51 0.00 -1.16 -1.26 -0.47 121.20 120.29 1nfa s ILE 97 Ca -0.02 -0.69 0.07 0.00 -0.51 0.00 0.00 60.65 59.51 1nfa s ILE 97 Cb -0.15 -1.41 0.35 0.00 0.61 0.00 0.00 42.46 41.86 1nfa s ILE 97 CO -0.01 0.45 0.89 0.00 -2.81 0.00 0.00 174.94 173.46 1nfa n LEU 98 N 4.08 3.37 -1.49 8.50 -0.00 -0.68 -4.96 117.00 125.82 1nfa n LEU 98 Ca -0.20 -5.46 -0.01 0.00 -0.00 0.00 0.00 56.01 50.35 1nfa n LEU 98 Cb 0.51 -0.16 -0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1nfa n LEU 98 CO 0.25 2.33 -0.09 -0.24 -0.00 0.00 0.00 177.39 179.64 1nfa n SER 99 N -0.09 -2.25 -4.34 1.45 2.88 -1.26 -4.46 113.62 105.55 1nfa n SER 99 Ca 0.29 0.23 -0.37 0.00 -1.33 0.00 0.00 58.87 57.70 1nfa n SER 99 Cb 0.48 -1.64 -0.06 0.00 -0.75 0.00 0.00 64.21 62.24 1nfa n SER 99 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1nfa n ASN 100 N 0.26 -1.49 -3.13 -3.46 6.94 -1.26 -4.87 115.26 108.26 1nfa n ASN 100 Ca -0.04 -1.16 -0.01 0.00 -0.02 0.00 0.00 54.58 53.35 1nfa n ASN 100 Cb 0.06 -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 -3.59 -0.98 0.16 5.53 2.01 -1.26 -4.91 115.64 112.60 1nfa s THR 101 Ca 0.54 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1nfa s THR 101 Cb -0.31 -0.02 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1nfa s THR 101 CO 0.98 -0.02 0.35 -0.75 -0.69 0.00 0.00 174.62 174.48 1nfa s LYS 102 N 1.63 3.52 0.23 4.92 2.47 -1.26 -1.68 119.74 129.57 1nfa s LYS 102 Ca 0.19 -0.32 -0.07 0.00 -1.56 0.00 0.00 55.97 54.21 1nfa s LYS 102 Cb -0.03 -2.89 -0.02 0.00 -1.46 0.00 0.00 37.83 33.43 1nfa s LYS 102 CO -0.07 0.46 0.32 0.08 0.16 0.00 0.00 175.35 176.31 1nfa s VAL 103 N -1.74 0.00 -0.11 4.02 1.01 0.38 -4.78 120.40 119.18 1nfa s VAL 103 Ca 0.38 -1.68 0.04 0.00 0.00 0.00 0.00 61.98 60.72 1nfa s VAL 103 Cb -0.12 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1nfa s VAL 103 CO 0.28 -0.00 -0.23 -0.76 0.00 0.00 0.00 175.10 174.39 1nfa s LEU 104 N -3.08 2.08 -0.27 3.92 1.43 0.47 -2.05 118.68 121.18 1nfa s LEU 104 Ca 0.30 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1nfa s LEU 104 Cb 0.03 -1.40 0.07 0.00 0.03 0.00 0.00 46.19 44.92 1nfa s LEU 104 CO 0.10 0.13 -0.03 -1.61 0.23 0.00 0.00 176.35 175.18 1nfa s GLU 105 N 0.49 1.62 -0.22 1.70 2.02 -0.98 -2.26 118.70 121.07 1nfa s GLU 105 Ca -0.15 -1.27 0.01 0.00 0.02 0.00 0.00 54.97 53.58 1nfa s GLU 105 Cb -0.17 -2.72 0.03 0.00 0.10 0.00 0.00 34.13 31.37 1nfa s GLU 105 CO 0.06 -0.71 -0.15 0.42 0.02 0.00 0.00 175.26 174.90 1nfa s ILE 106 N 1.25 2.20 -0.20 -1.63 1.01 -1.21 -1.92 121.20 120.70 1nfa s ILE 106 Ca -0.01 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 1nfa s ILE 106 Cb -0.19 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 1nfa s ILE 106 CO -0.08 0.30 1.25 -2.16 0.00 0.00 0.00 174.94 174.24 1nfa s PRO 107 N 1.23 4.17 0.34 2.79 0.04 -1.25 -1.43 135.00 140.89 1nfa s PRO 107 Ca -0.00 1.55 0.09 0.00 0.04 0.00 0.00 61.00 62.67 1nfa s PRO 107 Cb -0.16 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 1nfa s PRO 107 CO -0.09 -0.78 0.03 -0.51 0.04 0.00 0.00 177.00 175.69 1nfa s LEU 108 N 3.65 3.02 -0.21 -3.56 1.43 -0.19 -4.85 118.68 117.96 1nfa s LEU 108 Ca 0.54 -0.98 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1nfa s LEU 108 Cb -0.20 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 1nfa s LEU 108 CO 0.15 -0.26 0.26 -0.76 0.23 0.00 0.00 176.35 175.98 1nfa s LEU 109 N -3.74 4.17 0.11 1.79 1.02 -1.26 -2.26 118.68 118.51 1nfa s LEU 109 Ca 0.35 0.34 0.06 0.00 0.02 0.00 0.00 54.13 54.90 1nfa s LEU 109 Cb 0.00 -2.30 -0.22 0.00 0.02 0.00 0.00 46.19 43.70 1nfa s LEU 109 CO 0.20 0.04 1.26 1.55 0.02 0.00 0.00 176.35 179.42 1nfa h PRO 110 N 7.20 0.04 -2.01 1.29 0.13 -1.80 -3.41 132.00 133.45 1nfa h PRO 110 Ca -0.38 -0.06 -0.54 0.00 -0.87 0.00 0.00 66.00 64.15 1nfa h PRO 110 Cb 1.16 0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.92 1nfa h PRO 110 CO 0.71 1.03 -1.12 -1.91 -0.23 0.00 0.00 178.00 176.48 1nfa n GLU 111 N -3.38 0.85 0.05 0.86 2.13 -1.21 -4.33 120.64 115.61 1nfa n GLU 111 Ca -0.01 -3.32 0.00 0.00 0.66 0.00 0.00 57.16 54.49 1nfa n GLU 111 Cb 0.95 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 31.27 1nfa n GLU 111 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nfa n ASN 112 N 1.05 -0.81 0.00 4.31 4.13 -1.26 -4.89 115.26 117.78 1nfa n ASN 112 Ca 0.22 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.69 1nfa n ASN 112 Cb 0.56 1.06 0.00 0.00 -1.54 0.00 0.00 39.78 39.86 1nfa n ASN 112 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1nfa n SER 113 N -2.51 0.00 -2.69 6.41 7.64 -1.26 -5.09 113.62 116.12 1nfa n SER 113 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1nfa n SER 113 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 1nfa n SER 113 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1nfa n MET 114 N 0.00 1.19 -2.47 1.43 0.00 -1.26 -4.77 117.12 111.24 1nfa n MET 114 Ca 0.00 -2.20 -0.41 0.00 0.00 0.00 0.00 57.70 55.09 1nfa n MET 114 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 33.22 32.83 1nfa n MET 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1nfa s ARG 115 N -0.69 4.54 0.04 2.12 3.52 -1.26 -4.77 118.95 122.45 1nfa s ARG 115 Ca 0.23 1.76 0.01 0.00 -0.13 0.00 0.00 55.73 57.60 1nfa s ARG 115 Cb 0.42 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 1nfa s ARG 115 CO -0.06 -0.03 -0.05 0.00 -0.81 0.00 0.00 175.30 174.35 1nfa s ALA 116 N 0.09 0.43 -0.10 6.12 0.00 -1.14 -4.95 121.76 122.21 1nfa s ALA 116 Ca 0.52 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1nfa s ALA 116 Cb -0.30 0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1nfa s ALA 116 CO 0.34 -0.17 -0.14 0.14 0.00 0.00 0.00 175.76 175.93 1nfa s VAL 117 N -2.17 1.40 -0.49 0.00 -7.23 -1.26 -2.06 120.40 108.59 1nfa s VAL 117 Ca -0.07 -0.60 -0.16 0.00 -1.81 0.00 0.00 61.98 59.35 1nfa s VAL 117 Cb -0.05 -1.29 0.08 0.00 0.56 0.00 0.00 36.38 35.69 1nfa s VAL 117 CO -0.03 0.42 0.45 -0.63 -0.31 0.00 0.00 175.10 175.00 1nfa s ILE 118 N 0.92 5.18 -0.28 -0.62 1.01 -1.20 -4.84 121.20 121.37 1nfa s ILE 118 Ca -0.09 -1.06 0.18 0.00 0.00 0.00 0.00 60.65 59.68 1nfa s ILE 118 Cb -0.15 -4.19 0.45 0.00 0.01 0.00 0.00 42.46 38.58 1nfa s ILE 118 CO -0.00 -0.67 1.31 -0.90 0.00 0.00 0.00 174.94 174.68 1nfa n ASP 119 N 5.36 0.12 -3.03 3.58 5.75 -1.26 -4.01 116.55 123.06 1nfa n ASP 119 Ca -0.12 -2.11 -0.15 0.00 -0.01 0.00 0.00 54.79 52.40 1nfa n ASP 119 Cb 0.43 0.07 0.01 0.00 -1.03 0.00 0.00 41.12 40.60 1nfa n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nfa n ALA 121 N 0.25 0.19 -3.36 0.00 0.00 -1.26 -3.40 120.51 112.93 1nfa n ALA 121 Ca 0.19 -1.20 -0.09 0.00 0.00 0.00 0.00 53.44 52.35 1nfa n ALA 121 Cb 0.69 0.97 -0.04 0.00 0.00 0.00 0.00 19.45 21.06 1nfa n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nfa s GLY 122 N -2.49 0.24 0.18 0.00 0.00 -1.21 -4.55 107.32 99.50 1nfa s GLY 122 Ca 0.23 -0.59 0.09 0.00 0.00 0.00 0.00 44.72 44.45 1nfa s GLY 122 CO 0.17 -0.42 -0.10 -0.26 0.00 0.00 0.00 173.10 172.49 1nfa s ILE 123 N -3.96 3.17 -0.27 0.90 -4.36 -1.26 -4.14 121.20 111.28 1nfa s ILE 123 Ca 0.16 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 1nfa s ILE 123 Cb -0.02 -2.57 0.06 0.00 1.25 0.00 0.00 42.46 41.18 1nfa s ILE 123 CO 0.06 -0.12 -0.07 -0.76 0.24 0.00 0.00 174.94 174.28 1nfa s LEU 124 N -2.86 3.62 -0.41 0.37 2.01 -1.26 -4.82 118.68 115.33 1nfa s LEU 124 Ca 0.25 -1.40 -0.15 0.00 0.01 0.00 0.00 54.13 52.84 1nfa s LEU 124 Cb -0.09 -1.60 0.02 0.00 0.01 0.00 0.00 46.19 44.54 1nfa s LEU 124 CO 0.15 -0.22 0.31 -0.75 1.01 0.00 0.00 176.35 176.86 1nfa s LYS 125 N 1.13 3.01 0.00 1.70 2.36 -1.26 -4.48 119.74 122.21 1nfa s LYS 125 Ca -0.07 -0.97 0.10 0.00 -2.55 0.00 0.00 55.97 52.47 1nfa s LYS 125 Cb -0.20 -3.97 0.16 0.00 -1.05 0.00 0.00 37.83 32.77 1nfa s LYS 125 CO -0.04 -0.74 1.04 1.47 1.55 0.00 0.00 175.35 178.62 1nfa n LEU 126 N 5.20 0.34 -4.38 5.43 -0.00 -1.26 -5.08 117.00 117.25 1nfa n LEU 126 Ca -0.11 -1.41 -0.32 0.00 -0.00 0.00 0.00 56.01 54.17 1nfa n LEU 126 Cb 0.47 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.04 1nfa n LEU 126 CO 0.41 0.43 -0.18 0.54 -0.00 0.00 0.00 177.39 178.59 1nfa n ARG 127 N 0.19 -0.88 -0.66 1.47 1.74 -1.26 -4.68 116.66 112.57 1nfa n ARG 127 Ca 0.01 -0.22 -0.03 0.00 -0.77 0.00 0.00 57.85 56.84 1nfa n ARG 127 Cb 0.86 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 1nfa n ARG 127 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1nfa n ASN 128 N -1.78 -0.43 -3.39 0.55 0.23 -1.26 -4.81 115.26 104.36 1nfa n ASN 128 Ca 0.05 -1.00 -0.25 0.00 -0.53 0.00 0.00 54.58 52.85 1nfa n ASN 128 Cb 0.57 0.13 0.02 0.00 -2.08 0.00 0.00 39.78 38.42 1nfa n ASN 128 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1nfa n SER 129 N 0.00 -5.02 0.00 0.53 2.88 -1.26 -4.75 113.62 106.00 1nfa n SER 129 Ca -0.12 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 56.96 1nfa n SER 129 Cb 0.45 -4.06 0.00 0.00 -0.75 0.00 0.00 64.21 59.85 1nfa n SER 129 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nfa n ASP 130 N -2.55 0.00 -4.64 -3.46 9.92 -1.26 -5.11 116.55 109.44 1nfa n ASP 130 Ca -0.03 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.80 1nfa n ASP 130 Cb 0.57 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.02 1nfa n ASP 130 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1nfa s ILE 131 N 0.00 3.47 0.13 0.53 2.07 -1.26 -4.96 121.20 121.18 1nfa s ILE 131 Ca 0.00 0.55 -0.10 0.00 -1.41 0.00 0.00 60.65 59.69 1nfa s ILE 131 Cb 0.00 -3.44 0.00 0.00 0.13 0.00 0.00 42.46 39.16 1nfa s ILE 131 CO 0.00 -0.14 0.26 -0.70 -1.91 0.00 0.00 174.94 172.45 1nfa s GLU 132 N 4.64 1.02 -1.14 3.50 2.56 -1.26 -5.06 118.70 122.95 1nfa s GLU 132 Ca 0.78 -1.01 -0.22 0.00 0.00 0.00 0.00 54.97 54.52 1nfa s GLU 132 Cb -0.31 0.38 -0.03 0.00 2.00 0.00 0.00 34.13 36.17 1nfa s GLU 132 CO 0.32 -0.36 1.84 -0.51 -0.56 0.00 0.00 175.26 175.99 1nfa s LEU 133 N -2.90 3.31 0.29 2.70 1.43 -1.26 -3.90 118.68 118.35 1nfa s LEU 133 Ca 0.10 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.55 1nfa s LEU 133 Cb 0.04 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1nfa s LEU 133 CO -0.06 -2.40 0.00 -2.11 0.23 0.00 0.00 176.35 172.01 1nfa n ARG 134 N 8.48 0.00 0.00 1.70 1.85 -1.26 -5.16 116.66 122.27 1nfa n ARG 134 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 1nfa n ARG 134 Cb 0.47 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.88 1nfa n ARG 134 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1nfa n LYS 135 N -3.20 0.00 -3.60 2.89 5.02 -1.25 -5.10 118.16 112.91 1nfa n LYS 135 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1nfa n LYS 135 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1nfa n LYS 135 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1nfa s GLY 136 N 0.00 2.19 -0.15 0.72 0.00 -1.26 -4.89 107.32 103.93 1nfa s GLY 136 Ca 0.00 -2.77 -0.00 0.00 0.00 0.00 0.00 44.72 41.95 1nfa s GLY 136 CO 0.00 1.11 -0.09 -1.83 0.00 0.00 0.00 173.10 172.29 1nfa s GLU 137 N 0.91 1.82 0.00 2.90 -1.05 -1.26 -4.93 118.70 117.09 1nfa s GLU 137 Ca 0.10 -0.51 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 1nfa s GLU 137 Cb -0.23 -1.99 0.00 0.00 -0.44 0.00 0.00 34.13 31.48 1nfa s GLU 137 CO -0.03 -0.33 0.00 0.25 0.95 0.00 0.00 175.26 176.11 1nfa n THR 138 N 4.83 0.00 0.00 1.83 -2.24 -1.26 -5.09 114.28 112.35 1nfa n THR 138 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1nfa n THR 138 Cb 0.49 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1nfa n THR 138 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nfa n ASP 139 N -2.41 0.00 0.00 3.42 9.92 -1.26 -4.99 116.55 121.24 1nfa n ASP 139 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1nfa n ASP 139 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1nfa n ASP 139 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1nfa n ILE 140 N 0.00 0.00 0.00 0.53 -5.35 -1.26 -5.16 119.36 108.12 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 0.00 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 1nfa n ILE 140 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nfa n GLY 141 N 0.72 4.57 2.56 3.28 0.00 -1.26 -4.87 105.19 110.20 1nfa n GLY 141 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.95 1.11 -3.54 1.61 1.74 -1.26 -4.89 116.66 109.48 1nfa n ARG 142 Ca 0.00 -3.21 -0.15 0.00 -0.77 0.00 0.00 57.85 53.72 1nfa n ARG 142 Cb 0.00 -1.29 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 1nfa n ARG 142 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nfa s LYS 143 N -2.82 1.07 1.01 5.56 1.02 -1.26 -5.01 119.74 119.32 1nfa s LYS 143 Ca 0.29 -0.14 -0.18 0.00 0.02 0.00 0.00 55.97 55.97 1nfa s LYS 143 Cb 0.43 0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 38.20 1nfa s LYS 143 CO 0.01 -0.38 -0.34 0.27 -0.92 0.00 0.00 175.35 173.99 1nfa n ASN 144 N 0.45 -3.31 -2.71 2.83 6.94 -1.26 -4.94 115.26 113.26 1nfa n ASN 144 Ca -0.18 0.12 -0.08 0.00 -0.02 0.00 0.00 54.58 54.42 1nfa n ASN 144 Cb 0.60 -0.91 0.09 0.00 -2.36 0.00 0.00 39.78 37.20 1nfa n ASN 144 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1nfa n THR 145 N -3.51 0.23 -2.66 5.53 -1.04 -1.26 -5.04 114.28 106.52 1nfa n THR 145 Ca 0.02 -2.00 -0.25 0.00 -2.04 0.00 0.00 64.05 59.78 1nfa n THR 145 Cb 0.60 0.92 0.02 0.00 -1.82 0.00 0.00 70.33 70.06 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 -0.69 2.98 0.11 -2.82 3.03 -1.26 -4.08 118.95 116.21 1nfa s ARG 146 Ca 0.24 -0.24 -0.02 0.00 2.03 0.00 0.00 55.73 57.74 1nfa s ARG 146 Cb 0.40 -2.41 -0.04 0.00 -1.03 0.00 0.00 34.95 31.88 1nfa s ARG 146 CO -0.05 -0.51 0.05 0.14 -1.13 0.00 0.00 175.30 173.80 1nfa s VAL 147 N -2.79 0.14 -0.26 4.99 -7.23 -1.17 -4.52 120.40 109.55 1nfa s VAL 147 Ca 0.51 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1nfa s VAL 147 Cb -0.10 -1.84 0.14 0.00 0.56 0.00 0.00 36.38 35.14 1nfa s VAL 147 CO 0.42 -0.62 0.50 -0.60 -0.31 0.00 0.00 175.10 174.48 1nfa s ARG 148 N -4.00 0.45 -0.19 4.82 3.52 0.12 -4.32 118.95 119.35 1nfa s ARG 148 Ca 0.18 0.92 -0.29 0.00 -0.13 0.00 0.00 55.73 56.40 1nfa s ARG 148 Cb 0.07 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 1nfa s ARG 148 CO -0.02 -0.50 1.04 -1.17 -0.81 0.00 0.00 175.30 173.84 1nfa s LEU 149 N 2.71 4.15 -0.23 -0.88 0.20 -1.25 -2.08 118.68 121.29 1nfa s LEU 149 Ca 0.10 1.44 -0.14 0.00 0.69 0.00 0.00 54.13 56.22 1nfa s LEU 149 Cb -0.14 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.03 1nfa s LEU 149 CO -0.17 -0.61 0.32 -0.69 -0.29 0.00 0.00 176.35 174.91 1nfa s VAL 150 N 2.87 5.24 -0.47 1.68 1.01 -1.15 -2.64 120.40 126.93 1nfa s VAL 150 Ca 0.46 0.51 0.04 0.00 0.00 0.00 0.00 61.98 62.99 1nfa s VAL 150 Cb -0.16 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.69 1nfa s VAL 150 CO 0.10 0.25 0.21 -0.36 0.00 0.00 0.00 175.10 175.30 1nfa s PHE 151 N 1.47 3.25 -0.01 5.22 0.08 -0.63 -3.79 117.98 123.57 1nfa s PHE 151 Ca 0.14 -3.10 0.00 0.00 0.12 0.00 0.00 56.93 54.10 1nfa s PHE 151 Cb -0.15 -2.80 0.01 0.00 -0.57 0.00 0.00 43.02 39.51 1nfa s PHE 151 CO 0.08 -0.79 -0.00 -0.98 -0.10 0.00 0.00 175.22 173.42 1nfa s ARG 152 N 0.01 0.07 -0.14 0.44 1.70 -1.21 0.18 118.95 120.01 1nfa s ARG 152 Ca 0.16 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 1nfa s ARG 152 Cb -0.24 -0.13 -0.01 0.00 -0.57 0.00 0.00 34.95 33.99 1nfa s ARG 152 CO -0.02 -0.02 -0.15 0.54 -1.08 0.00 0.00 175.30 174.57 1nfa s VAL 153 N 0.24 2.82 -0.17 4.99 0.11 -0.81 -2.64 120.40 124.95 1nfa s VAL 153 Ca -0.02 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1nfa s VAL 153 Cb -0.03 -2.18 0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1nfa s VAL 153 CO -0.01 0.52 -0.09 -1.00 -3.33 0.00 0.00 175.10 171.20 1nfa s HIS 154 N 0.53 1.99 -0.08 1.54 3.76 -1.26 -2.32 115.29 119.44 1nfa s HIS 154 Ca -0.10 -1.23 -0.07 0.00 -0.15 0.00 0.00 55.06 53.52 1nfa s HIS 154 Cb -0.16 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 1nfa s HIS 154 CO 0.04 -0.65 0.18 0.54 -0.85 0.00 0.00 174.74 174.00 1nfa s VAL 155 N 1.54 5.44 -0.22 -0.90 0.11 -0.80 -4.95 120.40 120.61 1nfa s VAL 155 Ca 0.02 0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 58.98 1nfa s VAL 155 Cb -0.15 -3.46 -0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1nfa s VAL 155 CO -0.09 0.55 1.18 -2.16 -3.33 0.00 0.00 175.10 171.25 1nfa s PRO 156 N -1.24 4.19 0.31 1.54 0.04 -1.26 -4.76 135.00 133.82 1nfa s PRO 156 Ca 0.19 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1nfa s PRO 156 Cb -0.13 -3.74 0.03 0.00 0.04 0.00 0.00 34.50 30.71 1nfa s PRO 156 CO 0.08 -0.75 0.75 -0.65 0.04 0.00 0.00 177.00 176.47 1nfa s GLN 157 N 3.50 1.93 -0.02 4.56 -0.21 -1.26 -5.09 119.66 123.06 1nfa s GLN 157 Ca 0.51 -1.13 -0.01 0.00 0.02 0.00 0.00 55.36 54.74 1nfa s GLN 157 Cb -0.18 0.61 -0.01 0.00 1.00 0.00 0.00 33.01 34.43 1nfa s GLN 157 CO 0.13 -0.89 0.12 -1.00 -2.12 0.00 0.00 175.29 171.53 1nfa h PRO 158 N 2.00 -0.04 -6.11 2.91 0.13 -2.00 -3.43 132.00 125.46 1nfa h PRO 158 Ca -0.24 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.32 1nfa h PRO 158 Cb 1.25 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1nfa h PRO 158 CO 0.29 -0.03 1.39 -1.12 -0.23 0.00 0.00 178.00 178.30 1nfa s SER 159 N -3.63 5.62 0.54 1.44 0.01 -1.26 -4.80 113.70 111.62 1nfa s SER 159 Ca -0.01 1.54 0.34 0.00 1.31 0.00 0.00 55.95 59.14 1nfa s SER 159 Cb 0.00 -2.52 1.51 0.00 0.21 0.00 0.00 66.02 65.22 1nfa s SER 159 CO 0.02 -1.88 1.84 1.23 0.41 0.00 0.00 173.24 174.85 1nfa h GLY 160 N 14.60 0.05 -7.67 3.44 0.00 -2.00 -3.12 103.07 108.37 1nfa h GLY 160 Ca -0.36 -0.01 -0.67 0.00 0.00 0.00 0.00 47.33 46.29 1nfa h GLY 160 CO 1.01 -0.01 2.25 0.54 0.00 0.00 0.00 176.54 180.33 1nfa n ARG 161 N -4.23 3.10 0.00 4.80 1.74 -1.26 -4.44 116.66 116.37 1nfa n ARG 161 Ca 0.23 -3.18 0.00 0.00 -0.77 0.00 0.00 57.85 54.12 1nfa n ARG 161 Cb 1.12 -3.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.08 1nfa n ARG 161 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1nfa n THR 162 N 6.33 0.00 -3.38 0.55 -1.04 -1.18 -5.10 114.28 110.46 1nfa n THR 162 Ca 0.49 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.37 1nfa n THR 162 Cb 0.45 -0.09 -0.09 0.00 -1.82 0.00 0.00 70.33 68.78 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 -2.07 -0.46 -0.30 -4.42 1.98 -1.26 -4.86 118.68 107.28 1nfa s LEU 163 Ca 0.00 -0.17 -0.02 0.00 -2.89 0.00 0.00 54.13 51.04 1nfa s LEU 163 Cb 0.00 0.83 0.19 0.00 0.66 0.00 0.00 46.19 47.87 1nfa s LEU 163 CO 0.00 -0.33 0.72 -0.55 -1.89 0.00 0.00 176.35 174.30 1nfa s SER 164 N 2.46 -1.20 0.06 3.68 0.15 -1.25 -1.90 113.70 115.71 1nfa s SER 164 Ca 0.10 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.29 1nfa s SER 164 Cb -0.15 1.91 -0.03 0.00 -1.71 0.00 0.00 66.02 66.04 1nfa s SER 164 CO -0.21 -0.22 -0.10 -0.22 1.20 0.00 0.00 173.24 173.69 1nfa s LEU 165 N 2.88 2.30 -0.02 3.45 1.98 -0.98 -4.98 118.68 123.31 1nfa s LEU 165 Ca 0.15 -0.63 0.06 0.00 -2.89 0.00 0.00 54.13 50.82 1nfa s LEU 165 Cb -0.12 -0.27 -0.02 0.00 0.66 0.00 0.00 46.19 46.45 1nfa s LEU 165 CO -0.21 -0.20 -0.21 -1.10 -1.89 0.00 0.00 176.35 172.75 1nfa s GLN 166 N -1.93 1.76 -0.41 1.98 -0.21 -1.26 -1.92 119.66 117.67 1nfa s GLN 166 Ca -0.04 -0.75 0.07 0.00 0.02 0.00 0.00 55.36 54.66 1nfa s GLN 166 Cb -0.08 -1.68 0.24 0.00 1.00 0.00 0.00 33.01 32.49 1nfa s GLN 166 CO 0.01 0.44 0.55 0.28 -2.12 0.00 0.00 175.29 174.44 1nfa n VAL 167 N 2.62 -0.67 -3.17 1.09 0.31 0.13 -4.91 118.33 113.72 1nfa n VAL 167 Ca -0.16 -3.62 -0.43 0.00 -0.01 0.00 0.00 64.34 60.12 1nfa n VAL 167 Cb 0.53 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.89 1nfa n VAL 167 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nfa s ALA 168 N -0.81 3.37 -0.12 3.52 0.00 -1.26 -1.60 121.76 124.86 1nfa s ALA 168 Ca 0.34 -1.42 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 1nfa s ALA 168 Cb 0.16 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1nfa s ALA 168 CO -0.13 -1.80 0.31 -1.12 0.00 0.00 0.00 175.76 173.02 1nfa s SER 169 N 2.12 -0.33 0.00 0.00 0.01 -1.08 -4.98 113.70 109.44 1nfa s SER 169 Ca 0.18 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1nfa s SER 169 Cb -0.16 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1nfa s SER 169 CO 0.16 -0.12 0.00 -3.20 0.41 0.00 0.00 173.24 170.49 1nfa n ASN 170 N 3.20 0.00 -3.88 2.44 2.85 -1.26 -3.91 115.26 114.70 1nfa n ASN 170 Ca -0.15 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.90 1nfa n ASN 170 Cb 0.57 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.57 1nfa n ASN 170 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1nfa n PRO 171 N 0.00 2.55 -3.71 1.20 -0.04 -1.26 -4.57 135.00 129.16 1nfa n PRO 171 Ca 0.00 -2.53 -0.32 0.00 -0.04 0.00 0.00 63.50 60.61 1nfa n PRO 171 Cb 0.00 -3.26 -0.09 0.00 -0.04 0.00 0.00 33.50 30.11 1nfa n PRO 171 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1nfa n ILE 172 N 5.63 2.45 -3.31 0.52 2.08 -1.26 -4.75 119.36 120.73 1nfa n ILE 172 Ca 0.51 -5.05 -0.38 0.00 0.56 0.00 0.00 62.75 58.38 1nfa n ILE 172 Cb 0.41 -2.26 -0.06 0.00 -0.75 0.00 0.00 39.64 36.98 1nfa n ILE 172 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1nfa s GLU 173 N -1.59 4.21 0.41 0.38 2.12 -1.26 -3.05 118.70 119.93 1nfa s GLU 173 Ca 0.28 0.60 0.05 0.00 0.36 0.00 0.00 54.97 56.27 1nfa s GLU 173 Cb -0.03 -3.32 0.05 0.00 0.26 0.00 0.00 34.13 31.10 1nfa s GLU 173 CO -0.13 0.44 0.45 0.00 -0.54 0.00 0.00 175.26 175.48 1nfa n SER 175 N -2.21 -1.54 -4.69 0.00 3.41 -1.23 -4.77 113.62 102.59 1nfa n SER 175 Ca 0.05 -1.83 -0.39 0.00 -0.26 0.00 0.00 58.87 56.44 1nfa n SER 175 Cb 0.44 2.50 0.04 0.00 -0.26 0.00 0.00 64.21 66.94 1nfa n SER 175 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nfa n GLN 176 N -0.61 1.47 -3.58 4.33 0.00 -1.26 -1.58 117.38 116.15 1nfa n GLN 176 Ca -0.02 0.54 -0.24 0.00 0.00 0.00 0.00 57.00 57.28 1nfa n GLN 176 Cb 0.50 -2.40 -0.04 0.00 0.00 0.00 0.00 30.24 28.31 1nfa n GLN 176 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1nfa n ARG 177 N -0.81 -2.06 0.00 2.61 1.85 -1.26 -5.23 116.66 111.76 1nfa n ARG 177 Ca 0.11 0.16 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 1nfa n ARG 177 Cb 0.44 -4.73 0.00 0.00 -1.05 0.00 0.00 32.46 27.12 1nfa n ARG 177 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07