#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfr n GLY 3 N 0.00 0.28 0.22 0.46 0.00 -1.24 -4.88 105.19 100.02 1nfr n GLY 3 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1nfr n GLY 3 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nfr h ARG 4 N 0.57 0.00 -0.01 1.61 3.08 -1.90 -2.73 114.38 115.00 1nfr h ARG 4 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nfr h ARG 4 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1nfr h ARG 4 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1nfr n LEU 5 N -2.67 2.19 -4.68 3.04 4.77 0.72 -4.64 117.00 115.74 1nfr n LEU 5 Ca 0.01 -2.49 -0.44 0.00 -0.03 0.00 0.00 56.01 53.05 1nfr n LEU 5 Cb 0.22 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1nfr n LEU 5 CO 0.22 0.60 0.98 0.41 -1.33 0.00 0.00 177.39 178.26 1nfr n THR 6 N -0.90 1.23 -0.29 -5.08 -1.04 -1.03 -1.22 114.28 105.94 1nfr n THR 6 Ca 0.07 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1nfr n THR 6 Cb 0.43 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1nfr n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nfr n GLY 7 N 1.81 1.53 3.83 3.41 0.00 -1.24 -4.98 105.19 109.54 1nfr n GLY 7 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1nfr n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfr s LYS 8 N -0.32 3.27 -0.09 1.61 1.02 -0.36 -5.03 119.74 119.85 1nfr s LYS 8 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.70 1nfr s LYS 8 Cb 0.00 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1nfr s LYS 8 CO 0.00 0.71 -0.14 0.08 -0.92 0.00 0.00 175.35 175.08 1nfr s VAL 9 N -1.13 3.03 0.16 3.17 1.01 -1.26 -1.65 120.40 123.74 1nfr s VAL 9 Ca 0.20 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1nfr s VAL 9 Cb -0.12 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1nfr s VAL 9 CO 0.10 0.56 -0.13 0.00 0.00 0.00 0.00 175.10 175.63 1nfr s ALA 10 N -0.21 1.69 -0.11 5.51 0.00 -0.10 -0.91 121.76 127.62 1nfr s ALA 10 Ca 0.01 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1nfr s ALA 10 Cb -0.13 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1nfr s ALA 10 CO 0.03 0.02 -0.10 -1.17 0.00 0.00 0.00 175.76 174.54 1nfr s LEU 11 N -3.04 1.40 -0.23 0.00 2.96 0.05 -0.31 118.68 119.51 1nfr s LEU 11 Ca 0.17 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1nfr s LEU 11 Cb -0.01 -0.91 0.03 0.00 0.50 0.00 0.00 46.19 45.80 1nfr s LEU 11 CO 0.04 -0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.19 1nfr s VAL 12 N 1.40 2.46 0.34 1.68 1.01 0.04 -1.21 120.40 126.12 1nfr s VAL 12 Ca 0.00 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 1nfr s VAL 12 Cb -0.13 -2.23 -0.10 0.00 0.00 0.00 0.00 36.38 33.92 1nfr s VAL 12 CO -0.06 0.26 0.90 -0.94 0.00 0.00 0.00 175.10 175.27 1nfr s SER 13 N 1.26 7.15 -1.37 3.32 1.04 -0.92 -1.21 113.70 122.97 1nfr s SER 13 Ca -0.00 1.70 -0.06 0.00 0.48 0.00 0.00 55.95 58.07 1nfr s SER 13 Cb -0.16 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.43 1nfr s SER 13 CO -0.07 -0.15 0.84 0.61 0.98 0.00 0.00 173.24 175.44 1nfr n GLY 14 N 0.16 -0.45 0.98 7.32 0.00 0.59 -2.27 105.19 111.52 1nfr n GLY 14 Ca 0.03 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1nfr n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfr n GLY 15 N -1.70 1.49 0.12 -0.02 0.00 -0.82 -4.01 105.19 100.25 1nfr n GLY 15 Ca -0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1nfr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfr h ALA 16 N 3.59 0.67 -2.50 4.61 0.00 -1.88 -3.09 119.26 120.66 1nfr h ALA 16 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1nfr h ALA 16 Cb 0.85 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1nfr h ALA 16 CO 0.10 0.91 -0.00 2.89 0.00 0.00 0.00 179.25 183.15 1nfr n ARG 17 N -3.67 0.06 0.00 0.00 1.85 -1.26 -4.60 116.66 109.03 1nfr n ARG 17 Ca -0.02 -0.19 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 1nfr n ARG 17 Cb 0.75 0.20 0.00 0.00 -1.05 0.00 0.00 32.46 32.36 1nfr n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nfr n GLY 18 N -0.04 -0.10 3.34 2.89 0.00 -1.26 -1.80 105.19 108.21 1nfr n GLY 18 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1nfr n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfr n GLY 20 N 0.00 0.00 0.36 -0.02 0.00 -1.26 -2.42 105.19 101.85 1nfr n GLY 20 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1nfr n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfr h ALA 21 N 0.00 1.18 -0.73 4.61 0.00 -1.27 -1.59 119.26 121.46 1nfr h ALA 21 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1nfr h ALA 21 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1nfr h ALA 21 CO 0.00 0.63 0.27 1.03 0.00 0.00 0.00 179.25 181.18 1nfr h SER 22 N 1.27 1.03 -0.55 0.00 0.87 -1.75 -1.74 113.55 112.69 1nfr h SER 22 Ca 0.33 -0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 1nfr h SER 22 Cb -0.06 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 1nfr h SER 22 CO -0.06 0.94 0.08 0.45 -0.53 0.00 0.00 176.83 177.71 1nfr h HIS 23 N 1.07 0.98 0.05 2.24 3.86 -1.74 -0.11 115.15 121.50 1nfr h HIS 23 Ca 0.24 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1nfr h HIS 23 Cb 0.25 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1nfr h HIS 23 CO 0.02 0.87 -0.06 0.28 0.86 0.00 0.00 177.93 179.90 1nfr h VAL 24 N 0.81 0.85 -0.63 2.45 2.07 -1.01 -2.88 116.25 117.91 1nfr h VAL 24 Ca 0.17 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 1nfr h VAL 24 Cb 0.43 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1nfr h VAL 24 CO 0.01 0.00 0.07 0.03 0.02 0.00 0.00 177.57 177.70 1nfr h ARG 25 N -0.13 1.06 -0.29 1.57 3.08 -1.23 -1.99 114.38 116.45 1nfr h ARG 25 Ca 0.01 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1nfr h ARG 25 Cb 0.14 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1nfr h ARG 25 CO -0.03 1.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.87 1nfr n ALA 26 N -2.46 1.27 0.00 0.04 0.00 -0.06 -1.47 120.51 117.83 1nfr n ALA 26 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1nfr n ALA 26 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1nfr n ALA 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nfr n VAL 28 N 0.46 0.00 0.32 0.00 0.31 -0.75 -2.76 118.33 115.91 1nfr n VAL 28 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.53 1nfr n VAL 28 Cb 0.04 0.00 1.11 0.00 -0.91 0.00 0.00 33.84 34.08 1nfr n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nfr h ALA 29 N 0.00 1.18 -0.59 3.52 0.00 -1.51 -0.23 119.26 121.63 1nfr h ALA 29 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1nfr h ALA 29 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1nfr h ALA 29 CO 0.00 -0.04 0.07 0.39 0.00 0.00 0.00 179.25 179.67 1nfr n GLU 30 N -3.27 4.39 -0.79 0.00 -0.58 -1.11 -4.45 120.64 114.84 1nfr n GLU 30 Ca -0.03 -3.13 0.00 0.00 -0.42 0.00 0.00 57.16 53.59 1nfr n GLU 30 Cb 0.11 -2.22 0.00 0.00 -0.57 0.00 0.00 31.44 28.76 1nfr n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nfr n GLY 31 N 0.28 0.60 3.90 0.62 0.00 -0.10 -0.20 105.19 110.30 1nfr n GLY 31 Ca 0.31 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1nfr n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfr s ALA 32 N -2.00 3.65 -0.18 4.61 0.00 -1.25 -3.73 121.76 122.86 1nfr s ALA 32 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 1nfr s ALA 32 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1nfr s ALA 32 CO 0.00 0.33 0.19 0.15 0.00 0.00 0.00 175.76 176.43 1nfr s LYS 33 N -3.37 4.17 -0.08 0.00 -0.14 -0.66 -4.21 119.74 115.44 1nfr s LYS 33 Ca 0.44 -0.10 0.03 0.00 -1.36 0.00 0.00 55.97 54.98 1nfr s LYS 33 Cb -0.11 -3.41 0.01 0.00 -1.68 0.00 0.00 37.83 32.64 1nfr s LYS 33 CO 0.28 0.31 -0.17 0.08 -0.76 0.00 0.00 175.35 175.09 1nfr s VAL 34 N 0.31 1.53 -0.22 3.17 1.01 -0.10 -0.92 120.40 125.18 1nfr s VAL 34 Ca 0.11 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1nfr s VAL 34 Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1nfr s VAL 34 CO 0.00 0.44 0.06 -0.69 0.00 0.00 0.00 175.10 174.92 1nfr s VAL 35 N 0.55 4.50 -0.05 2.92 1.01 0.58 -1.32 120.40 128.59 1nfr s VAL 35 Ca -0.16 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1nfr s VAL 35 Cb -0.17 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1nfr s VAL 35 CO 0.06 0.39 -0.15 0.72 0.00 0.00 0.00 175.10 176.12 1nfr s PHE 36 N 1.05 1.55 0.23 5.22 -0.12 -0.61 -0.78 117.98 124.52 1nfr s PHE 36 Ca 0.04 -0.49 0.10 0.00 -0.05 0.00 0.00 56.93 56.53 1nfr s PHE 36 Cb -0.14 -1.08 -0.04 0.00 -0.63 0.00 0.00 43.02 41.13 1nfr s PHE 36 CO 0.03 -0.20 -0.07 0.20 -0.05 0.00 0.00 175.22 175.13 1nfr s GLY 37 N 0.26 1.71 0.04 1.99 0.00 -0.35 -2.04 107.32 108.94 1nfr s GLY 37 Ca -0.08 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 42.99 1nfr s GLY 37 CO 0.03 -1.65 0.26 1.34 0.00 0.00 0.00 173.10 173.07 1nfr n ASP 38 N -0.45 -0.41 -0.12 1.64 -0.08 -1.09 -0.30 116.55 115.75 1nfr n ASP 38 Ca -0.08 -1.20 0.02 0.00 -1.51 0.00 0.00 54.79 52.01 1nfr n ASP 38 Cb 0.58 0.66 0.01 0.00 2.34 0.00 0.00 41.12 44.70 1nfr n ASP 38 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1nfr n ILE 39 N -0.18 0.00 -3.07 5.18 -5.35 -1.26 0.25 119.36 114.93 1nfr n ILE 39 Ca -0.00 -0.48 -0.44 0.00 -0.27 0.00 0.00 62.75 61.56 1nfr n ILE 39 Cb 0.14 1.06 0.01 0.00 -1.74 0.00 0.00 39.64 39.11 1nfr n ILE 39 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1nfr n LEU 40 N -0.06 6.20 -0.22 7.28 4.77 -1.26 -4.88 117.00 128.83 1nfr n LEU 40 Ca 0.02 -5.15 0.02 0.00 -0.03 0.00 0.00 56.01 50.87 1nfr n LEU 40 Cb 0.08 -1.34 0.14 0.00 -2.33 0.00 0.00 43.42 39.97 1nfr n LEU 40 CO 0.03 1.59 0.95 0.44 -1.33 0.00 0.00 177.39 179.07 1nfr h ASP 41 N 5.77 0.11 0.15 -1.43 3.32 -1.97 0.17 116.42 122.53 1nfr h ASP 41 Ca 0.20 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.38 1nfr h ASP 41 Cb 0.68 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1nfr h ASP 41 CO 1.26 0.05 -0.28 -0.33 -1.72 0.00 0.00 179.24 178.22 1nfr h GLU 42 N 0.33 -0.49 -0.76 3.56 3.07 -1.99 0.23 114.58 118.53 1nfr h GLU 42 Ca 0.35 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.22 1nfr h GLU 42 Cb 0.52 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 1nfr h GLU 42 CO -0.40 -0.33 0.37 0.93 -1.40 0.00 0.00 179.01 178.19 1nfr h GLU 43 N -0.51 1.09 -0.68 2.33 5.08 -1.81 -1.96 114.58 118.12 1nfr h GLU 43 Ca 0.02 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1nfr h GLU 43 Cb 0.52 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1nfr h GLU 43 CO -0.14 0.84 0.27 0.78 -1.00 0.00 0.00 179.01 179.76 1nfr h GLY 44 N 1.06 1.09 2.00 -3.84 0.00 -0.22 -2.58 103.07 100.59 1nfr h GLY 44 Ca 0.26 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1nfr h GLY 44 CO -0.03 0.56 -0.18 0.50 0.00 0.00 0.00 176.54 177.39 1nfr h LYS 45 N 0.97 0.00 -0.41 4.80 1.57 -0.37 -1.92 116.57 121.21 1nfr h LYS 45 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1nfr h LYS 45 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1nfr h LYS 45 CO -0.02 0.18 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 1nfr n ALA 46 N -2.19 1.92 0.00 3.86 0.00 -0.75 -2.62 120.51 120.72 1nfr n ALA 46 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1nfr n ALA 46 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1nfr n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfr n ALA 48 N 0.01 0.00 -0.03 0.00 0.00 -0.72 -3.32 120.51 116.44 1nfr n ALA 48 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1nfr n ALA 48 Cb 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 1nfr n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfr h ALA 49 N 0.00 0.13 -0.48 0.00 0.00 -1.78 -2.08 119.26 115.05 1nfr h ALA 49 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1nfr h ALA 49 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1nfr h ALA 49 CO 0.00 -0.12 -0.07 1.05 0.00 0.00 0.00 179.25 180.11 1nfr h GLU 50 N -0.17 0.84 0.00 0.00 4.11 -1.87 -2.98 114.58 114.52 1nfr h GLU 50 Ca 0.02 -0.27 -0.09 0.00 0.07 0.00 0.00 59.36 59.09 1nfr h GLU 50 Cb 0.47 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1nfr h GLU 50 CO 0.01 0.89 -0.43 -0.07 0.07 0.00 0.00 179.01 179.48 1nfr h LEU 51 N 0.77 0.00 0.00 3.06 4.07 -1.88 -3.49 115.31 117.84 1nfr h LEU 51 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1nfr h LEU 51 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1nfr h LEU 51 CO 0.03 0.43 0.00 0.00 -1.08 0.00 0.00 178.44 177.82 1nfr n ALA 52 N -2.29 0.00 0.26 1.53 0.00 -0.78 -3.03 120.51 116.19 1nfr n ALA 52 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1nfr n ALA 52 Cb 0.57 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.56 1nfr n ALA 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nfr n ASP 53 N 3.24 0.61 -0.00 0.00 5.75 -1.26 -2.46 116.55 122.42 1nfr n ASP 53 Ca 0.00 0.72 0.14 0.00 -0.01 0.00 0.00 54.79 55.64 1nfr n ASP 53 Cb 0.00 -0.83 0.55 0.00 -1.03 0.00 0.00 41.12 39.82 1nfr n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nfr n ALA 54 N -1.78 2.57 -2.26 2.12 0.00 -1.17 -4.91 120.51 115.09 1nfr n ALA 54 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1nfr n ALA 54 Cb 0.12 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.07 1nfr n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfr s ALA 55 N -2.98 1.50 -0.22 0.00 0.00 -1.03 -0.92 121.76 118.11 1nfr s ALA 55 Ca 0.14 -1.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.14 1nfr s ALA 55 Cb 0.19 1.43 0.09 0.00 0.00 0.00 0.00 23.12 24.83 1nfr s ALA 55 CO 0.56 -0.63 0.48 1.03 0.00 0.00 0.00 175.76 177.20 1nfr s ARG 56 N -3.78 0.41 -0.03 0.00 1.81 -0.43 -4.81 118.95 112.12 1nfr s ARG 56 Ca 0.40 1.09 -0.16 0.00 -1.72 0.00 0.00 55.73 55.34 1nfr s ARG 56 Cb 0.04 0.36 -0.05 0.00 -0.45 0.00 0.00 34.95 34.85 1nfr s ARG 56 CO 0.20 -0.22 0.42 -0.47 -0.68 0.00 0.00 175.30 174.55 1nfr s TYR 57 N 2.39 3.67 0.01 -0.53 5.04 -1.26 -1.57 117.35 125.11 1nfr s TYR 57 Ca -0.04 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 1nfr s TYR 57 Cb -0.11 -2.35 -0.01 0.00 0.35 0.00 0.00 41.96 39.84 1nfr s TYR 57 CO -0.14 0.52 -0.05 0.14 -1.34 0.00 0.00 175.55 174.68 1nfr s VAL 58 N -0.64 0.36 0.01 3.14 -7.23 -0.86 -4.97 120.40 110.21 1nfr s VAL 58 Ca 0.24 -0.46 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 1nfr s VAL 58 Cb -0.16 -0.36 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 1nfr s VAL 58 CO 0.12 -0.08 1.25 -2.28 -0.31 0.00 0.00 175.10 173.80 1nfr s HIS 59 N -0.53 3.23 -0.20 2.82 2.46 -1.26 -2.68 115.29 119.13 1nfr s HIS 59 Ca -0.03 1.16 -0.04 0.00 0.47 0.00 0.00 55.06 56.63 1nfr s HIS 59 Cb -0.04 -3.48 0.10 0.00 -0.13 0.00 0.00 32.58 29.03 1nfr s HIS 59 CO -0.00 -1.56 0.27 -1.17 -2.47 0.00 0.00 174.74 169.81 1nfr s LEU 60 N 1.71 -0.29 -0.49 8.88 2.96 0.14 -4.79 118.68 126.80 1nfr s LEU 60 Ca 0.59 0.04 -0.18 0.00 -0.22 0.00 0.00 54.13 54.35 1nfr s LEU 60 Cb -0.29 0.64 0.06 0.00 0.50 0.00 0.00 46.19 47.10 1nfr s LEU 60 CO 0.26 -0.31 0.58 -0.62 -1.32 0.00 0.00 176.35 174.95 1nfr s ASP 61 N 2.40 6.21 0.36 3.68 -1.08 -1.26 -3.61 116.67 123.38 1nfr s ASP 61 Ca 0.08 -0.94 0.13 0.00 -0.52 0.00 0.00 52.55 51.30 1nfr s ASP 61 Cb -0.15 -2.27 0.72 0.00 -1.46 0.00 0.00 42.92 39.76 1nfr s ASP 61 CO -0.13 -0.83 1.30 -0.37 0.52 0.00 0.00 175.17 175.67 1nfr h VAL 62 N 5.84 0.00 -0.01 1.11 -1.51 -1.94 0.36 116.25 120.09 1nfr h VAL 62 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1nfr h VAL 62 Cb 1.10 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1nfr h VAL 62 CO 0.94 0.00 -0.09 0.35 -1.23 0.00 0.00 177.57 177.54 1nfr n THR 63 N -2.11 0.00 -3.66 7.19 -2.24 -1.26 -4.29 114.28 107.92 1nfr n THR 63 Ca -0.01 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 1nfr n THR 63 Cb 0.37 0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 1nfr n THR 63 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nfr s GLN 64 N -2.24 2.55 0.41 -0.78 1.11 0.13 -4.99 119.66 115.85 1nfr s GLN 64 Ca 0.34 -1.43 0.08 0.00 0.01 0.00 0.00 55.36 54.36 1nfr s GLN 64 Cb 0.20 -3.68 0.86 0.00 -1.01 0.00 0.00 33.01 29.39 1nfr s GLN 64 CO 0.42 -0.89 2.04 -1.00 0.01 0.00 0.00 175.29 175.86 1nfr h PRO 65 N 8.32 0.55 -0.24 2.91 0.13 -1.85 -1.68 132.00 140.15 1nfr h PRO 65 Ca -0.22 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1nfr h PRO 65 Cb 1.08 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1nfr h PRO 65 CO 0.71 0.36 -0.12 0.00 -0.23 0.00 0.00 178.00 178.72 1nfr h ALA 66 N 1.72 1.35 -0.06 -0.56 0.00 -1.95 -1.31 119.26 118.45 1nfr h ALA 66 Ca 0.18 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1nfr h ALA 66 Cb 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nfr h ALA 66 CO -0.04 0.44 -0.76 1.96 0.00 0.00 0.00 179.25 180.84 1nfr h GLN 67 N 0.36 0.39 -0.49 0.00 4.20 -1.66 -2.15 115.11 115.76 1nfr h GLN 67 Ca 0.07 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 1nfr h GLN 67 Cb 0.44 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1nfr h GLN 67 CO 0.03 0.98 0.16 -1.49 -0.67 0.00 0.00 178.83 177.84 1nfr h TRP 68 N 0.26 0.77 -0.26 2.96 4.06 -0.94 -1.22 115.95 121.59 1nfr h TRP 68 Ca -0.04 -0.07 0.04 0.00 2.06 0.00 0.00 58.89 60.88 1nfr h TRP 68 Cb 1.35 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 29.25 1nfr h TRP 68 CO 0.04 0.67 0.04 -0.22 -3.56 0.00 0.00 178.44 175.41 1nfr h LYS 69 N 0.65 0.13 -0.79 0.49 3.64 -1.14 -0.56 116.57 118.98 1nfr h LYS 69 Ca 0.16 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1nfr h LYS 69 Cb 0.25 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1nfr h LYS 69 CO -0.01 0.08 0.41 0.00 -2.27 0.00 0.00 179.45 177.66 1nfr h ALA 70 N 1.20 1.02 -0.80 5.00 0.00 -1.18 0.81 119.26 125.31 1nfr h ALA 70 Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nfr h ALA 70 Cb 0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1nfr h ALA 70 CO -0.17 0.56 0.35 0.00 0.00 0.00 0.00 179.25 179.99 1nfr h ALA 71 N 1.21 1.11 -0.39 0.00 0.00 -0.73 -0.28 119.26 120.18 1nfr h ALA 71 Ca 0.28 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1nfr h ALA 71 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nfr h ALA 71 CO -0.04 0.65 -0.32 0.28 0.00 0.00 0.00 179.25 179.82 1nfr h VAL 72 N 1.15 1.28 -0.13 0.00 2.07 -0.58 -2.55 116.25 117.48 1nfr h VAL 72 Ca 0.27 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 1nfr h VAL 72 Cb 0.17 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1nfr h VAL 72 CO -0.03 0.50 -0.06 0.44 0.02 0.00 0.00 177.57 178.44 1nfr h ASP 73 N 0.71 0.18 -0.18 0.57 3.32 -0.46 -1.66 116.42 118.90 1nfr h ASP 73 Ca 0.07 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1nfr h ASP 73 Cb 0.90 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1nfr h ASP 73 CO 0.08 0.27 0.02 0.74 -1.72 0.00 0.00 179.24 178.64 1nfr h THR 74 N 0.19 1.23 0.11 0.35 2.02 -0.76 -1.67 112.91 114.38 1nfr h THR 74 Ca 0.04 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1nfr h THR 74 Cb 0.24 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1nfr h THR 74 CO 0.01 0.23 -0.05 0.00 0.37 0.00 0.00 175.52 176.08 1nfr h ALA 75 N 0.81 -0.14 0.02 6.16 0.00 -1.03 0.27 119.26 125.34 1nfr h ALA 75 Ca 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nfr h ALA 75 Cb 0.33 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1nfr h ALA 75 CO 0.01 -0.54 -0.08 0.28 0.00 0.00 0.00 179.25 178.92 1nfr h VAL 76 N -0.23 0.80 -0.02 0.00 2.07 -1.35 0.16 116.25 117.68 1nfr h VAL 76 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1nfr h VAL 76 Cb 0.19 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1nfr h VAL 76 CO 0.02 0.00 -0.01 0.71 0.02 0.00 0.00 177.57 178.31 1nfr h THR 77 N -0.15 1.33 -0.35 2.57 1.35 -1.27 0.45 112.91 116.84 1nfr h THR 77 Ca 0.02 -0.99 -0.11 0.00 -0.55 0.00 0.00 66.41 64.78 1nfr h THR 77 Cb 0.17 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1nfr h THR 77 CO -0.06 0.26 -0.24 0.00 -0.25 0.00 0.00 175.52 175.23 1nfr h ALA 78 N 0.60 0.93 -0.00 6.62 0.00 -0.46 -3.35 119.26 123.59 1nfr h ALA 78 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1nfr h ALA 78 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nfr h ALA 78 CO 0.00 0.61 0.00 1.19 0.00 0.00 0.00 179.25 181.06 1nfr n PHE 79 N -4.11 0.00 -0.23 0.00 0.99 0.55 -5.02 117.46 109.64 1nfr n PHE 79 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1nfr n PHE 79 Cb 0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.91 1nfr n PHE 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nfr n GLY 80 N 0.07 0.96 0.00 1.37 0.00 0.16 -4.98 105.19 102.77 1nfr n GLY 80 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nfr n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfr n GLY 81 N -2.00 -2.10 2.83 -0.02 0.00 -1.14 -4.92 105.19 97.83 1nfr n GLY 81 Ca 0.00 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 1nfr n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nfr s LEU 82 N 0.00 0.64 0.00 0.99 2.96 -1.26 -3.99 118.68 118.02 1nfr s LEU 82 Ca 0.00 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1nfr s LEU 82 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 46.19 46.83 1nfr s LEU 82 CO 0.00 -0.17 0.00 1.41 -1.32 0.00 0.00 176.35 176.27 1nfr n HIS 83 N 4.51 0.00 -4.05 5.38 8.25 -0.09 -4.90 115.22 124.32 1nfr n HIS 83 Ca -0.21 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.10 1nfr n HIS 83 Cb 0.51 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.47 1nfr n HIS 83 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nfr s VAL 84 N -1.08 0.27 -0.09 1.59 1.01 -0.44 -0.87 120.40 120.78 1nfr s VAL 84 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1nfr s VAL 84 Cb 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 36.16 1nfr s VAL 84 CO 0.00 0.09 -0.04 -0.22 0.00 0.00 0.00 175.10 174.93 1nfr s LEU 85 N 0.07 0.92 -0.40 3.92 2.96 -0.77 -0.77 118.68 124.60 1nfr s LEU 85 Ca -0.00 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1nfr s LEU 85 Cb -0.03 -0.66 0.09 0.00 0.50 0.00 0.00 46.19 46.08 1nfr s LEU 85 CO -0.00 -0.15 0.21 -0.69 -1.32 0.00 0.00 176.35 174.40 1nfr s VAL 86 N 1.82 3.73 -1.27 1.68 1.01 -0.35 0.72 120.40 127.74 1nfr s VAL 86 Ca 0.05 -1.65 -0.18 0.00 0.00 0.00 0.00 61.98 60.20 1nfr s VAL 86 Cb -0.12 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 32.96 1nfr s VAL 86 CO -0.07 -0.53 1.71 0.20 0.00 0.00 0.00 175.10 176.41 1nfr s ASN 87 N 1.94 6.81 -0.08 3.32 0.01 0.40 -2.16 114.94 125.19 1nfr s ASN 87 Ca 0.04 -2.37 0.20 0.00 -0.71 0.00 0.00 52.86 50.02 1nfr s ASN 87 Cb -0.23 -2.58 -0.30 0.00 0.41 0.00 0.00 41.25 38.56 1nfr s ASN 87 CO -0.01 -1.19 0.36 -3.20 -1.51 0.00 0.00 177.10 171.55 1nfr n ASN 88 N 8.41 0.04 -4.68 -1.22 2.85 -1.24 -1.95 115.26 117.48 1nfr n ASN 88 Ca 0.47 0.02 -0.44 0.00 -0.11 0.00 0.00 54.58 54.52 1nfr n ASN 88 Cb 0.46 1.56 -0.02 0.00 1.24 0.00 0.00 39.78 43.02 1nfr n ASN 88 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nfr n ALA 89 N -2.44 1.28 -3.61 5.20 0.00 -0.96 -4.83 120.51 115.15 1nfr n ALA 89 Ca -0.14 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 1nfr n ALA 89 Cb 0.79 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.93 1nfr n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nfr s GLY 90 N 0.22 -0.35 0.18 0.00 0.00 -1.26 -4.71 107.32 101.40 1nfr s GLY 90 Ca 0.66 1.03 0.01 0.00 0.00 0.00 0.00 44.72 46.42 1nfr s GLY 90 CO 0.51 0.30 0.03 -0.26 0.00 0.00 0.00 173.10 173.68 1nfr s ILE 91 N -2.61 0.56 -0.05 0.90 -4.36 -1.26 -5.05 121.20 109.34 1nfr s ILE 91 Ca 0.11 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 1nfr s ILE 91 Cb 0.01 -2.22 0.02 0.00 1.25 0.00 0.00 42.46 41.52 1nfr s ILE 91 CO -0.04 -0.37 -0.06 -0.22 0.24 0.00 0.00 174.94 174.49 1nfr s LEU 92 N -3.18 1.38 0.06 0.37 2.96 -1.26 -4.95 118.68 114.06 1nfr s LEU 92 Ca 0.27 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1nfr s LEU 92 Cb 0.07 -0.57 -0.03 0.00 0.50 0.00 0.00 46.19 46.16 1nfr s LEU 92 CO 0.06 -0.04 -0.05 0.54 -1.32 0.00 0.00 176.35 175.54 1nfr s ASN 93 N 0.92 0.72 0.22 3.68 2.20 -1.26 -5.15 114.94 116.27 1nfr s ASN 93 Ca -0.11 -0.82 0.00 0.00 -0.94 0.00 0.00 52.86 50.99 1nfr s ASN 93 Cb -0.15 0.12 -0.05 0.00 -2.00 0.00 0.00 41.25 39.18 1nfr s ASN 93 CO 0.01 -0.43 0.11 0.27 -2.94 0.00 0.00 177.10 174.11 1nfr s ILE 94 N -2.88 0.28 0.00 0.54 -4.36 -1.26 -4.55 121.20 108.96 1nfr s ILE 94 Ca 0.01 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1nfr s ILE 94 Cb 0.00 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1nfr s ILE 94 CO -0.05 -0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.69 1nfr n GLY 95 N -0.34 3.84 3.77 6.27 0.00 -0.53 -4.82 105.19 113.39 1nfr n GLY 95 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1nfr n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nfr s THR 96 N -1.74 3.26 0.44 2.61 -4.23 -1.26 -4.17 115.64 110.55 1nfr s THR 96 Ca 0.00 0.41 0.27 0.00 -1.18 0.00 0.00 61.69 61.19 1nfr s THR 96 Cb 0.00 -3.00 0.46 0.00 1.34 0.00 0.00 72.50 71.30 1nfr s THR 96 CO 0.00 -0.54 1.70 0.40 -0.54 0.00 0.00 174.62 175.65 1nfr h ILE 97 N -1.14 0.32 0.04 2.99 2.04 -1.96 0.47 117.51 120.27 1nfr h ILE 97 Ca -0.46 -0.07 -0.33 0.00 1.00 0.00 0.00 64.86 65.01 1nfr h ILE 97 Cb 1.25 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1nfr h ILE 97 CO 0.55 0.04 -1.87 -0.62 0.00 0.00 0.00 178.15 176.24 1nfr n GLU 98 N -4.58 0.68 0.10 2.37 4.71 -1.26 -4.45 120.64 118.21 1nfr n GLU 98 Ca 0.31 0.26 0.12 0.00 -0.01 0.00 0.00 57.16 57.84 1nfr n GLU 98 Cb 1.20 -1.74 0.08 0.00 -1.01 0.00 0.00 31.44 29.97 1nfr n GLU 98 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 1nfr h ASP 99 N 0.03 0.00 -2.74 1.62 2.03 -1.63 -3.46 116.42 112.26 1nfr h ASP 99 Ca -0.36 -0.08 -0.55 0.00 -0.73 0.00 0.00 57.03 55.32 1nfr h ASP 99 Cb 2.03 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.53 1nfr h ASP 99 CO 0.07 0.04 0.98 -0.47 -1.03 0.00 0.00 179.24 178.83 1nfr s TYR 100 N -3.27 2.40 0.15 4.15 5.04 0.06 -4.81 117.35 121.07 1nfr s TYR 100 Ca 0.03 0.48 -0.30 0.00 -2.44 0.00 0.00 57.07 54.84 1nfr s TYR 100 Cb 0.10 -3.81 -0.07 0.00 0.35 0.00 0.00 41.96 38.54 1nfr s TYR 100 CO 0.75 -3.22 1.08 0.00 -1.34 0.00 0.00 175.55 172.82 1nfr s ALA 101 N 3.26 3.35 0.55 3.97 0.00 -1.26 -4.92 121.76 126.71 1nfr s ALA 101 Ca 0.69 0.77 0.25 0.00 0.00 0.00 0.00 51.96 53.67 1nfr s ALA 101 Cb -0.33 -3.35 1.44 0.00 0.00 0.00 0.00 23.12 20.89 1nfr s ALA 101 CO 0.27 -0.20 2.04 -0.07 0.00 0.00 0.00 175.76 177.81 1nfr h LEU 102 N 5.35 0.00 -0.74 0.00 3.38 -1.98 0.33 115.31 121.65 1nfr h LEU 102 Ca -0.44 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1nfr h LEU 102 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1nfr h LEU 102 CO 0.73 0.00 -0.31 0.71 0.09 0.00 0.00 178.44 179.66 1nfr h THR 103 N 0.00 1.28 -0.37 0.22 1.35 -1.99 -0.03 112.91 113.38 1nfr h THR 103 Ca 0.17 -1.42 -0.13 0.00 -0.55 0.00 0.00 66.41 64.48 1nfr h THR 103 Cb 0.74 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1nfr h THR 103 CO -0.00 0.46 -0.28 -0.33 -0.25 0.00 0.00 175.52 175.11 1nfr h GLU 104 N 0.52 0.78 -0.12 4.72 5.08 -0.77 -0.67 114.58 124.12 1nfr h GLU 104 Ca 0.06 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1nfr h GLU 104 Cb 0.79 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1nfr h GLU 104 CO 0.06 0.96 0.03 2.35 -1.00 0.00 0.00 179.01 181.42 1nfr h TRP 105 N 0.66 0.20 0.04 4.33 2.91 -0.83 -1.50 115.95 121.76 1nfr h TRP 105 Ca 0.08 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 1nfr h TRP 105 Cb 0.81 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.40 1nfr h TRP 105 CO 0.04 0.34 -0.02 1.96 -1.03 0.00 0.00 178.44 179.73 1nfr h GLN 106 N 0.00 -0.05 -0.63 2.65 1.08 -0.94 -1.83 115.11 115.39 1nfr h GLN 106 Ca 0.04 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.37 1nfr h GLN 106 Cb 0.24 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.58 1nfr h GLN 106 CO -0.00 0.06 0.07 -0.09 -0.95 0.00 0.00 178.83 177.91 1nfr h ARG 107 N -0.15 0.18 -0.13 1.46 9.65 -1.04 0.26 114.38 124.61 1nfr h ARG 107 Ca -0.01 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 1nfr h ARG 107 Cb 0.14 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1nfr h ARG 107 CO 0.01 0.12 -0.50 0.97 2.80 0.00 0.00 179.97 183.36 1nfr h ILE 108 N 0.18 1.34 -0.52 1.20 2.10 -1.15 -1.91 117.51 118.75 1nfr h ILE 108 Ca 0.34 -1.74 -0.03 0.00 1.08 0.00 0.00 64.86 64.50 1nfr h ILE 108 Cb 0.54 1.80 -0.02 0.00 -1.09 0.00 0.00 36.82 38.04 1nfr h ILE 108 CO -0.49 0.53 0.19 -0.07 -1.08 0.00 0.00 178.15 177.23 1nfr h LEU 109 N 0.27 0.73 -0.11 2.19 4.07 -0.30 -0.93 115.31 121.23 1nfr h LEU 109 Ca 0.01 -0.18 0.01 0.00 0.08 0.00 0.00 57.88 57.80 1nfr h LEU 109 Cb 0.98 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 1nfr h LEU 109 CO 0.08 0.72 0.03 0.44 -1.08 0.00 0.00 178.44 178.63 1nfr h ASP 110 N 0.70 0.02 0.06 -0.43 3.32 -0.27 -1.04 116.42 118.79 1nfr h ASP 110 Ca 0.17 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1nfr h ASP 110 Cb 0.23 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1nfr h ASP 110 CO -0.01 0.03 -0.03 0.58 -1.72 0.00 0.00 179.24 178.09 1nfr h VAL 111 N 0.08 0.52 0.00 -1.35 2.07 -1.27 -0.80 116.25 115.50 1nfr h VAL 111 Ca 0.05 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 1nfr h VAL 111 Cb 0.03 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1nfr h VAL 111 CO -0.06 0.17 -0.36 0.78 0.02 0.00 0.00 177.57 178.12 1nfr h ASN 112 N -1.00 0.00 0.00 0.57 4.21 -1.31 -3.16 115.58 114.89 1nfr h ASN 112 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1nfr h ASN 112 Cb 0.34 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 1nfr h ASN 112 CO 0.01 0.36 -0.34 -0.11 -1.29 0.00 0.00 177.43 176.06 1nfr n LEU 113 N -3.52 1.15 -0.26 1.61 7.94 -0.92 -4.42 117.00 118.57 1nfr n LEU 113 Ca -0.00 0.17 -0.01 0.00 -1.11 0.00 0.00 56.01 55.06 1nfr n LEU 113 Cb 0.50 -0.45 0.19 0.00 0.53 0.00 0.00 43.42 44.19 1nfr n LEU 113 CO 0.36 -0.53 1.22 0.74 -1.11 0.00 0.00 177.39 178.07 1nfr h THR 114 N -0.34 1.22 -0.79 1.96 2.02 -1.19 -2.16 112.91 113.62 1nfr h THR 114 Ca 0.00 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1nfr h THR 114 Cb 0.34 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1nfr h THR 114 CO 0.00 0.23 0.40 1.23 0.37 0.00 0.00 175.52 177.75 1nfr h GLY 115 N 1.12 1.20 0.93 2.16 0.00 -1.10 0.92 103.07 108.31 1nfr h GLY 115 Ca 0.29 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1nfr h GLY 115 CO -0.06 0.54 0.01 -2.08 0.00 0.00 0.00 176.54 174.95 1nfr h VAL 116 N 1.12 1.26 -0.72 4.60 2.07 -1.59 -1.22 116.25 121.76 1nfr h VAL 116 Ca 0.28 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1nfr h VAL 116 Cb 0.08 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1nfr h VAL 116 CO -0.04 0.33 0.28 0.15 0.02 0.00 0.00 177.57 178.31 1nfr h PHE 117 N 0.49 1.09 -0.12 1.57 3.57 -0.86 -1.96 116.94 120.73 1nfr h PHE 117 Ca 0.11 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1nfr h PHE 117 Cb 0.45 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1nfr h PHE 117 CO 0.04 0.83 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.48 1nfr h LEU 118 N 1.05 0.27 -0.39 0.59 3.38 -0.64 -1.65 115.31 117.91 1nfr h LEU 118 Ca 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1nfr h LEU 118 Cb 0.21 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1nfr h LEU 118 CO -0.02 0.64 0.15 1.23 0.09 0.00 0.00 178.44 180.54 1nfr h GLY 119 N 1.20 0.64 0.96 0.83 0.00 -0.62 -1.72 103.07 104.36 1nfr h GLY 119 Ca 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1nfr h GLY 119 CO 0.06 0.33 0.21 -2.22 0.00 0.00 0.00 176.54 174.92 1nfr h ILE 120 N 0.49 1.19 -0.29 2.60 2.04 -1.11 -1.85 117.51 120.58 1nfr h ILE 120 Ca 0.13 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1nfr h ILE 120 Cb 0.20 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1nfr h ILE 120 CO -0.01 0.21 0.12 0.03 0.00 0.00 0.00 178.15 178.50 1nfr h ARG 121 N 0.61 0.40 -0.00 2.37 3.08 -1.18 -2.62 114.38 117.04 1nfr h ARG 121 Ca 0.16 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 1nfr h ARG 121 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1nfr h ARG 121 CO -0.02 0.34 -0.88 0.00 -1.07 0.00 0.00 179.97 178.34 1nfr h ALA 122 N 1.73 0.49 0.00 0.04 0.00 -0.82 -3.36 119.26 117.35 1nfr h ALA 122 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1nfr h ALA 122 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nfr h ALA 122 CO -0.01 0.88 -0.83 1.33 0.00 0.00 0.00 179.25 180.62 1nfr n VAL 123 N -3.69 0.12 -0.35 0.00 0.24 -0.74 -4.51 118.33 109.40 1nfr n VAL 123 Ca -0.04 -0.15 -0.01 0.00 -2.04 0.00 0.00 64.34 62.10 1nfr n VAL 123 Cb 0.80 0.28 0.14 0.00 -1.47 0.00 0.00 33.84 33.59 1nfr n VAL 123 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1nfr h VAL 124 N 0.00 1.24 0.92 3.34 -1.51 -1.62 -3.28 116.25 115.34 1nfr h VAL 124 Ca 0.00 -0.45 -0.04 0.00 -1.23 0.00 0.00 66.70 64.98 1nfr h VAL 124 Cb 0.64 -0.18 0.01 0.00 -2.13 0.00 0.00 31.29 29.63 1nfr h VAL 124 CO 0.00 0.24 -0.44 0.50 -1.23 0.00 0.00 177.57 176.64 1nfr h LYS 125 N 1.30 -1.19 -1.96 5.19 3.64 -1.83 0.11 116.57 121.84 1nfr h LYS 125 Ca 0.36 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1nfr h LYS 125 Cb -0.13 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1nfr h LYS 125 CO -0.08 -0.79 0.00 -0.35 -2.27 0.00 0.00 179.45 175.96 1nfr n PRO 126 N -5.34 0.05 0.00 1.90 -0.04 -1.24 -1.26 135.00 129.07 1nfr n PRO 126 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1nfr n PRO 126 Cb 0.49 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1nfr n PRO 126 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nfr n LYS 128 N 1.15 0.00 -0.11 0.54 5.02 0.38 -2.42 118.16 122.71 1nfr n LYS 128 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1nfr n LYS 128 Cb 0.03 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.08 1nfr n LYS 128 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nfr h GLU 129 N 0.00 0.85 0.00 1.97 5.08 -1.42 -2.90 114.58 118.17 1nfr h GLU 129 Ca 0.00 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 57.88 1nfr h GLU 129 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1nfr h GLU 129 CO 0.00 1.02 -0.48 0.00 -1.00 0.00 0.00 179.01 178.55 1nfr h ALA 130 N 0.96 0.86 0.00 3.43 0.00 -1.75 -3.47 119.26 119.30 1nfr h ALA 130 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1nfr h ALA 130 Cb 0.81 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nfr h ALA 130 CO 0.07 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1nfr n GLY 131 N 0.56 1.24 3.18 0.00 0.00 -1.10 -4.99 105.19 104.08 1nfr n GLY 131 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1nfr n GLY 131 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nfr s ARG 132 N -0.25 0.27 0.19 1.61 1.04 -1.25 -4.25 118.95 116.30 1nfr s ARG 132 Ca 0.00 0.92 -0.12 0.00 -1.04 0.00 0.00 55.73 55.50 1nfr s ARG 132 Cb 0.00 0.19 0.00 0.00 -2.04 0.00 0.00 34.95 33.10 1nfr s ARG 132 CO 0.00 -0.25 0.38 0.20 -0.04 0.00 0.00 175.30 175.58 1nfr s GLY 133 N 2.45 0.36 -0.10 3.88 0.00 -0.80 -4.77 107.32 108.33 1nfr s GLY 133 Ca -0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 1nfr s GLY 133 CO -0.11 -0.66 0.18 -0.45 0.00 0.00 0.00 173.10 172.05 1nfr s SER 134 N -2.95 0.81 -0.23 1.64 0.15 -0.05 -0.85 113.70 112.21 1nfr s SER 134 Ca 0.16 0.29 -0.07 0.00 0.70 0.00 0.00 55.95 57.03 1nfr s SER 134 Cb 0.02 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 1nfr s SER 134 CO 0.01 -0.26 0.07 -0.63 1.20 0.00 0.00 173.24 173.63 1nfr s ILE 135 N 2.31 4.46 -0.35 6.45 1.01 0.28 -1.85 121.20 133.51 1nfr s ILE 135 Ca 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1nfr s ILE 135 Cb -0.12 -3.06 0.07 0.00 0.01 0.00 0.00 42.46 39.36 1nfr s ILE 135 CO -0.07 0.37 0.10 -0.63 0.00 0.00 0.00 174.94 174.71 1nfr s ILE 136 N 1.23 3.23 -0.20 2.92 1.01 0.22 -1.23 121.20 128.38 1nfr s ILE 136 Ca 0.05 -1.61 -0.16 0.00 0.00 0.00 0.00 60.65 58.93 1nfr s ILE 136 Cb -0.14 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1nfr s ILE 136 CO 0.03 -0.35 0.41 0.20 0.00 0.00 0.00 174.94 175.24 1nfr s ASN 137 N 1.50 6.45 -0.54 3.58 0.01 -0.18 -0.45 114.94 125.31 1nfr s ASN 137 Ca 0.01 0.54 -0.24 0.00 -0.71 0.00 0.00 52.86 52.45 1nfr s ASN 137 Cb -0.21 -2.24 0.04 0.00 0.41 0.00 0.00 41.25 39.26 1nfr s ASN 137 CO -0.02 -0.08 0.92 -0.63 -1.51 0.00 0.00 177.10 175.78 1nfr s ILE 138 N 1.30 4.42 0.00 0.60 -1.09 -0.82 -1.17 121.20 124.44 1nfr s ILE 138 Ca 0.20 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 1nfr s ILE 138 Cb -0.15 -4.52 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 1nfr s ILE 138 CO 0.08 -1.08 0.00 -0.24 -1.23 0.00 0.00 174.94 172.47 1nfr n SER 139 N 7.37 0.00 -3.74 3.58 2.88 0.39 -4.93 113.62 119.16 1nfr n SER 139 Ca 0.01 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.58 1nfr n SER 139 Cb 0.47 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.94 1nfr n SER 139 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1nfr s SER 140 N -0.81 -0.01 0.33 -3.46 1.04 -1.22 -4.47 113.70 105.10 1nfr s SER 140 Ca 0.00 -0.12 0.26 0.00 0.48 0.00 0.00 55.95 56.57 1nfr s SER 140 Cb 0.00 0.11 1.09 0.00 0.10 0.00 0.00 66.02 67.31 1nfr s SER 140 CO 0.00 -0.21 1.78 0.16 0.98 0.00 0.00 173.24 175.95 1nfr h ILE 141 N 2.00 0.00 0.00 -1.02 3.07 -1.70 0.16 117.51 120.02 1nfr h ILE 141 Ca -0.26 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 65.86 1nfr h ILE 141 Cb 1.19 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1nfr h ILE 141 CO 0.30 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 176.78 1nfr n GLU 142 N -2.44 0.02 -0.20 0.16 4.71 -1.26 -0.91 120.64 120.72 1nfr n GLU 142 Ca 0.02 0.18 0.10 0.00 -0.01 0.00 0.00 57.16 57.45 1nfr n GLU 142 Cb 0.24 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.44 1nfr n GLU 142 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nfr n GLY 143 N 0.37 1.32 0.00 0.62 0.00 0.57 -4.05 105.19 104.02 1nfr n GLY 143 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1nfr n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nfr n LEU 144 N 1.05 0.00 -3.89 0.99 4.77 -0.09 -4.45 117.00 115.39 1nfr n LEU 144 Ca 0.18 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1nfr n LEU 144 Cb 0.48 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1nfr n LEU 144 CO 0.14 0.00 0.19 0.00 -1.33 0.00 0.00 177.39 176.39 1nfr s ALA 145 N -1.82 -0.51 0.54 -1.18 0.00 -0.83 -5.13 121.76 112.84 1nfr s ALA 145 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1nfr s ALA 145 Cb 0.00 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.08 1nfr s ALA 145 CO 0.00 -0.81 0.79 0.20 0.00 0.00 0.00 175.76 175.94 1nfr s GLY 146 N -2.95 1.69 -0.07 0.00 0.00 -1.26 -4.42 107.32 100.31 1nfr s GLY 146 Ca 0.16 -1.08 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 1nfr s GLY 146 CO 0.03 -0.82 0.16 -1.59 0.00 0.00 0.00 173.10 170.89 1nfr s THR 147 N -2.80 -0.02 0.41 0.90 2.01 -1.26 -5.06 115.64 109.82 1nfr s THR 147 Ca 0.54 0.07 -0.27 0.00 0.31 0.00 0.00 61.69 62.35 1nfr s THR 147 Cb -0.10 -0.25 -0.10 0.00 0.01 0.00 0.00 72.50 72.06 1nfr s THR 147 CO 0.40 0.03 1.44 0.52 -0.69 0.00 0.00 174.62 176.33 1nfr n VAL 148 N 3.52 2.34 -3.24 3.82 0.31 -1.26 -2.67 118.33 121.15 1nfr n VAL 148 Ca -0.18 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.42 1nfr n VAL 148 Cb 0.56 -1.88 0.02 0.00 -0.91 0.00 0.00 33.84 31.63 1nfr n VAL 148 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nfr n ALA 149 N 0.14 -1.04 -2.78 3.52 0.00 -1.26 -4.85 120.51 114.24 1nfr n ALA 149 Ca 0.03 0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 1nfr n ALA 149 Cb 0.40 -3.36 0.05 0.00 0.00 0.00 0.00 19.45 16.54 1nfr n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfr h HIS 151 N 2.55 0.20 -0.34 0.00 -0.00 -1.81 -0.07 115.15 115.68 1nfr h HIS 151 Ca -0.16 -0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.11 1nfr h HIS 151 Cb 1.25 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 1nfr h HIS 151 CO 0.45 0.36 -0.10 0.78 -0.00 0.00 0.00 177.93 179.42 1nfr h GLY 152 N -0.02 0.72 0.86 2.45 0.00 -1.93 0.17 103.07 105.32 1nfr h GLY 152 Ca 0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1nfr h GLY 152 CO 0.00 0.55 0.03 -1.82 0.00 0.00 0.00 176.54 175.31 1nfr h TYR 153 N 0.45 0.12 -0.28 5.60 3.20 -1.79 -1.78 116.97 122.48 1nfr h TYR 153 Ca 0.08 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1nfr h TYR 153 Cb 0.61 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1nfr h TYR 153 CO 0.05 0.23 0.18 1.15 -1.64 0.00 0.00 178.16 178.14 1nfr h THR 154 N -0.03 1.09 -0.45 1.81 2.02 -0.99 -1.10 112.91 115.26 1nfr h THR 154 Ca 0.03 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1nfr h THR 154 Cb 0.16 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1nfr h THR 154 CO -0.00 0.08 0.21 0.00 0.37 0.00 0.00 175.52 176.18 1nfr h ALA 155 N 1.09 0.56 -0.34 6.16 0.00 -0.85 -0.99 119.26 124.88 1nfr h ALA 155 Ca 0.10 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1nfr h ALA 155 Cb -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nfr h ALA 155 CO -0.02 -0.15 -0.39 1.79 0.00 0.00 0.00 179.25 180.48 1nfr h THR 156 N 0.42 1.28 0.00 0.00 1.35 -1.18 -0.83 112.91 113.95 1nfr h THR 156 Ca 0.20 -1.57 -0.06 0.00 -0.55 0.00 0.00 66.41 64.43 1nfr h THR 156 Cb 0.12 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 1nfr h THR 156 CO -0.15 0.52 -0.31 0.11 -0.25 0.00 0.00 175.52 175.44 1nfr h LYS 157 N 0.66 0.00 -0.01 4.72 1.79 -1.00 0.11 116.57 122.85 1nfr h LYS 157 Ca 0.05 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.27 1nfr h LYS 157 Cb 0.98 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1nfr h LYS 157 CO 0.09 0.31 -0.98 0.74 -1.08 0.00 0.00 179.45 178.53 1nfr h PHE 158 N 0.00 0.82 -0.32 -1.35 -1.00 -1.11 -2.79 116.94 111.19 1nfr h PHE 158 Ca -0.00 -0.44 -0.01 0.00 2.81 0.00 0.00 57.97 60.33 1nfr h PHE 158 Cb 0.58 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1nfr h PHE 158 CO 0.00 1.27 0.16 0.00 -1.61 0.00 0.00 178.31 178.13 1nfr h ALA 159 N 0.59 0.42 -0.91 2.45 0.00 -0.27 -2.07 119.26 119.46 1nfr h ALA 159 Ca -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1nfr h ALA 159 Cb 1.62 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1nfr h ALA 159 CO 0.18 -0.03 0.59 0.28 0.00 0.00 0.00 179.25 180.27 1nfr h VAL 160 N 0.39 1.24 -0.83 0.00 2.07 -0.87 0.14 116.25 118.39 1nfr h VAL 160 Ca 0.11 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.23 1nfr h VAL 160 Cb 0.10 -0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 29.72 1nfr h VAL 160 CO -0.02 0.24 0.51 -0.09 0.02 0.00 0.00 177.57 178.23 1nfr h ARG 161 N 1.24 0.91 -0.05 1.57 2.43 -1.18 -1.55 114.38 117.75 1nfr h ARG 161 Ca 0.33 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.28 1nfr h ARG 161 Cb -0.12 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.24 1nfr h ARG 161 CO -0.07 0.60 -0.64 0.78 -1.51 0.00 0.00 179.97 179.13 1nfr h GLY 162 N 0.93 0.58 1.71 2.80 0.00 -0.62 -3.24 103.07 105.23 1nfr h GLY 162 Ca 0.36 -0.92 0.03 0.00 0.00 0.00 0.00 47.33 46.80 1nfr h GLY 162 CO -0.17 0.82 0.12 -2.00 0.00 0.00 0.00 176.54 175.31 1nfr h LEU 163 N 0.10 0.07 -0.55 3.11 5.85 -0.49 -0.87 115.31 122.52 1nfr h LEU 163 Ca -0.07 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1nfr h LEU 163 Cb 1.32 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1nfr h LEU 163 CO 0.13 0.05 0.29 0.74 -0.34 0.00 0.00 178.44 179.31 1nfr h THR 164 N 0.08 1.19 0.10 1.05 2.02 -1.31 -1.81 112.91 114.23 1nfr h THR 164 Ca 0.08 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1nfr h THR 164 Cb 0.21 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1nfr h THR 164 CO -0.01 0.21 -0.05 0.11 0.37 0.00 0.00 175.52 176.15 1nfr h LYS 165 N 0.74 -0.13 -0.56 6.66 1.57 -1.21 -1.13 116.57 122.51 1nfr h LYS 165 Ca 0.19 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1nfr h LYS 165 Cb 0.08 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1nfr h LYS 165 CO -0.03 0.24 0.32 0.66 -0.57 0.00 0.00 179.45 180.07 1nfr h SER 166 N -0.53 0.69 0.34 0.86 4.64 -1.46 -1.62 113.55 116.46 1nfr h SER 166 Ca -0.01 -0.08 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 1nfr h SER 166 Cb 0.43 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1nfr h SER 166 CO 0.02 0.57 -0.47 0.71 -0.87 0.00 0.00 176.83 176.79 1nfr h THR 167 N 0.75 1.34 -0.54 2.95 1.35 -1.39 -2.34 112.91 115.03 1nfr h THR 167 Ca 0.20 -1.64 -0.07 0.00 -0.55 0.00 0.00 66.41 64.35 1nfr h THR 167 Cb 0.02 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 1nfr h THR 167 CO -0.03 0.48 0.07 0.00 -0.25 0.00 0.00 175.52 175.79 1nfr h ALA 168 N 1.40 0.72 -0.61 6.62 0.00 -0.82 -0.19 119.26 126.38 1nfr h ALA 168 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1nfr h ALA 168 Cb 0.88 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1nfr h ALA 168 CO 0.07 0.48 0.23 -0.07 0.00 0.00 0.00 179.25 179.96 1nfr h LEU 169 N 0.79 0.86 -0.18 0.00 3.38 -1.13 -1.09 115.31 117.95 1nfr h LEU 169 Ca 0.16 -0.18 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1nfr h LEU 169 Cb 0.43 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1nfr h LEU 169 CO 0.01 0.80 -0.87 -0.08 0.09 0.00 0.00 178.44 178.40 1nfr h GLU 170 N 0.86 0.60 0.00 1.13 4.81 -1.23 -3.30 114.58 117.45 1nfr h GLU 170 Ca 0.20 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1nfr h GLU 170 Cb 0.23 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1nfr h GLU 170 CO -0.01 1.18 -0.40 1.28 -0.73 0.00 0.00 179.01 180.32 1nfr n LEU 171 N -3.85 0.41 -0.01 1.64 4.77 -0.10 -4.26 117.00 115.60 1nfr n LEU 171 Ca -0.07 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1nfr n LEU 171 Cb 0.79 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1nfr n LEU 171 CO 0.52 0.08 0.68 1.23 -1.33 0.00 0.00 177.39 178.57 1nfr h GLY 172 N 4.95 -0.29 1.49 -0.72 0.00 -1.21 -0.73 103.07 106.56 1nfr h GLY 172 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1nfr h GLY 172 CO 0.00 -0.21 0.25 -2.55 0.00 0.00 0.00 176.54 174.03 1nfr h PRO 173 N -0.32 0.00 -0.02 4.80 0.11 -1.80 0.15 132.00 134.93 1nfr h PRO 173 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1nfr h PRO 173 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1nfr h PRO 173 CO -0.34 0.00 -0.04 0.43 -0.21 0.00 0.00 178.00 177.83 1nfr n SER 174 N -2.89 1.63 0.00 -2.05 7.64 -0.32 -4.92 113.62 112.72 1nfr n SER 174 Ca -0.02 -1.48 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1nfr n SER 174 Cb 0.30 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1nfr n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfr n GLY 175 N 1.22 0.55 3.39 0.23 0.00 0.54 -4.39 105.19 106.74 1nfr n GLY 175 Ca 0.17 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1nfr n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nfr s ILE 176 N -2.00 3.33 -0.01 -0.61 1.01 -0.98 -1.91 121.20 120.03 1nfr s ILE 176 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1nfr s ILE 176 Cb 0.00 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1nfr s ILE 176 CO 0.00 0.50 0.12 -0.13 0.00 0.00 0.00 174.94 175.43 1nfr s ARG 177 N 0.57 3.23 -0.07 2.79 0.52 -0.03 -3.43 118.95 122.53 1nfr s ARG 177 Ca -0.06 -0.40 -0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1nfr s ARG 177 Cb -0.15 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.38 1nfr s ARG 177 CO 0.03 0.67 0.01 0.08 0.02 0.00 0.00 175.30 176.11 1nfr s VAL 178 N -1.24 0.30 0.12 3.52 1.01 -1.26 0.99 120.40 123.84 1nfr s VAL 178 Ca 0.24 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1nfr s VAL 178 Cb -0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1nfr s VAL 178 CO 0.15 0.22 -0.09 0.20 0.00 0.00 0.00 175.10 175.58 1nfr s ASN 179 N 2.00 1.47 -0.03 3.32 0.01 -0.37 0.93 114.94 122.27 1nfr s ASN 179 Ca 0.05 -0.99 0.06 0.00 -0.71 0.00 0.00 52.86 51.27 1nfr s ASN 179 Cb -0.12 0.04 -0.02 0.00 0.41 0.00 0.00 41.25 41.55 1nfr s ASN 179 CO -0.05 -0.38 -0.20 -0.94 -1.51 0.00 0.00 177.10 174.02 1nfr s SER 180 N -3.04 3.56 -0.17 -1.22 1.04 -0.55 -1.01 113.70 112.31 1nfr s SER 180 Ca 0.13 -0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.16 1nfr s SER 180 Cb 0.03 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 1nfr s SER 180 CO -0.02 0.33 0.05 -0.63 0.98 0.00 0.00 173.24 173.95 1nfr s ILE 181 N -0.68 4.71 -0.50 -1.02 1.01 -0.32 -0.61 121.20 123.79 1nfr s ILE 181 Ca 0.11 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.73 1nfr s ILE 181 Cb -0.10 -3.11 0.13 0.00 0.01 0.00 0.00 42.46 39.39 1nfr s ILE 181 CO -0.00 0.47 0.26 -1.00 0.00 0.00 0.00 174.94 174.67 1nfr s HIS 182 N 0.28 2.85 0.47 3.97 3.76 -0.10 -0.46 115.29 126.06 1nfr s HIS 182 Ca 0.03 -2.97 -0.04 0.00 -0.15 0.00 0.00 55.06 51.94 1nfr s HIS 182 Cb -0.12 -2.55 -0.02 0.00 1.11 0.00 0.00 32.58 30.99 1nfr s HIS 182 CO 0.00 -0.75 0.75 -1.25 -0.85 0.00 0.00 174.74 172.64 1nfr s PRO 183 N -0.14 3.37 0.00 8.40 0.04 -1.26 -1.69 135.00 143.72 1nfr s PRO 183 Ca 0.17 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1nfr s PRO 183 Cb -0.25 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1nfr s PRO 183 CO -0.00 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1nfr n GLY 184 N -2.20 1.37 3.70 0.56 0.00 -0.86 -2.73 105.19 105.02 1nfr n GLY 184 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1nfr n GLY 184 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nfr s LEU 185 N 0.00 4.34 -0.01 0.99 2.96 -1.26 -4.95 118.68 120.74 1nfr s LEU 185 Ca 0.00 2.21 0.07 0.00 -0.22 0.00 0.00 54.13 56.19 1nfr s LEU 185 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 1nfr s LEU 185 CO 0.00 -0.72 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.39 1nfr s VAL 186 N 2.07 1.82 -0.71 1.68 1.01 -1.26 -0.76 120.40 124.25 1nfr s VAL 186 Ca 0.65 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 1nfr s VAL 186 Cb -0.34 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1nfr s VAL 186 CO 0.28 0.50 1.84 -0.54 0.00 0.00 0.00 175.10 177.19 1nfr s LYS 187 N -0.57 2.66 0.19 2.72 1.02 0.24 -4.69 119.74 121.31 1nfr s LYS 187 Ca 0.09 0.26 -0.07 0.00 0.02 0.00 0.00 55.97 56.27 1nfr s LYS 187 Cb -0.09 -4.59 -0.02 0.00 -0.52 0.00 0.00 37.83 32.61 1nfr s LYS 187 CO -0.01 -2.87 0.26 0.95 -0.92 0.00 0.00 175.35 172.77 1nfr s THR 188 N 9.07 0.04 -0.00 2.17 -4.23 -1.26 -4.48 115.64 116.95 1nfr s THR 188 Ca 0.66 -1.61 -0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1nfr s THR 188 Cb -0.10 -2.11 -0.00 0.00 1.34 0.00 0.00 72.50 71.62 1nfr s THR 188 CO 0.14 -0.18 0.56 -0.81 -0.54 0.00 0.00 174.62 173.79 1nfr n PRO 189 N -0.25 0.04 0.00 3.99 -0.04 -1.26 -1.94 135.00 135.53 1nfr n PRO 189 Ca -0.04 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1nfr n PRO 189 Cb 0.64 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1nfr n PRO 189 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1nfr n THR 191 N 3.02 0.00 0.33 0.52 -2.24 -1.26 -4.73 114.28 109.91 1nfr n THR 191 Ca 0.01 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.01 1nfr n THR 191 Cb 0.02 -0.04 1.12 0.00 -2.10 0.00 0.00 70.33 69.32 1nfr n THR 191 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1nfr h ASP 192 N 0.00 0.00 0.09 3.42 3.04 -1.73 0.16 116.42 121.40 1nfr h ASP 192 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1nfr h ASP 192 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1nfr h ASP 192 CO 0.00 0.00 -0.07 -2.67 -2.04 0.00 0.00 179.24 174.46 1nfr n TRP 193 N -3.07 0.00 -3.70 4.15 4.27 -1.26 -4.83 117.44 113.00 1nfr n TRP 193 Ca -0.02 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.23 1nfr n TRP 193 Cb 0.11 -0.05 -0.08 0.00 -1.36 0.00 0.00 31.31 29.93 1nfr n TRP 193 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1nfr s VAL 194 N -2.17 5.39 0.20 -1.67 1.01 0.56 -5.05 120.40 118.68 1nfr s VAL 194 Ca 0.35 0.19 -0.33 0.00 0.00 0.00 0.00 61.98 62.20 1nfr s VAL 194 Cb 0.21 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.97 1nfr s VAL 194 CO 0.40 0.41 1.56 -0.81 0.00 0.00 0.00 175.10 176.66 1nfr n PRO 195 N 3.77 2.28 0.17 2.72 -0.04 -1.26 -4.83 135.00 137.80 1nfr n PRO 195 Ca -0.16 0.82 0.11 0.00 -0.04 0.00 0.00 63.50 64.24 1nfr n PRO 195 Cb 0.52 -2.57 0.61 0.00 -0.04 0.00 0.00 33.50 32.02 1nfr n PRO 195 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1nfr h GLU 196 N 5.52 0.00 -0.38 0.54 5.08 -1.95 -1.08 114.58 122.31 1nfr h GLU 196 Ca -0.45 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.73 1nfr h GLU 196 Cb 1.25 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.39 1nfr h GLU 196 CO 0.86 0.00 -0.05 -0.40 -1.00 0.00 0.00 179.01 178.42 1nfr n ASP 197 N -2.29 2.59 -0.35 1.42 5.75 -1.26 -3.59 116.55 118.82 1nfr n ASP 197 Ca -0.01 -3.74 0.01 0.00 -0.01 0.00 0.00 54.79 51.04 1nfr n ASP 197 Cb 0.05 -0.64 0.17 0.00 -1.03 0.00 0.00 41.12 39.67 1nfr n ASP 197 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1nfr h ILE 198 N 1.04 1.16 -3.02 2.12 2.10 -1.55 -3.43 117.51 115.94 1nfr h ILE 198 Ca 0.23 -0.42 -0.56 0.00 1.08 0.00 0.00 64.86 65.19 1nfr h ILE 198 Cb 1.70 -0.16 -0.03 0.00 -1.09 0.00 0.00 36.82 37.24 1nfr h ILE 198 CO 0.41 0.22 -0.32 -0.36 -1.08 0.00 0.00 178.15 177.02 1nfr s PHE 199 N -6.03 3.48 -0.70 2.19 0.40 -1.26 -5.03 117.98 111.03 1nfr s PHE 199 Ca -0.12 0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 56.41 1nfr s PHE 199 Cb 0.19 -1.93 0.05 0.00 0.51 0.00 0.00 43.02 41.84 1nfr s PHE 199 CO 0.81 0.40 1.09 -0.65 0.70 0.00 0.00 175.22 177.58 1nfr s GLN 200 N -2.99 3.15 0.27 0.44 -0.21 -1.26 -4.99 119.66 114.07 1nfr s GLN 200 Ca 0.40 -0.61 0.07 0.00 0.02 0.00 0.00 55.36 55.23 1nfr s GLN 200 Cb -0.12 -4.22 -0.03 0.00 1.00 0.00 0.00 33.01 29.64 1nfr s GLN 200 CO 0.27 -1.95 0.24 0.95 -2.12 0.00 0.00 175.29 172.68 1nfr s THR 201 N 4.71 4.32 -0.20 -0.19 -4.23 -1.26 -3.80 115.64 114.99 1nfr s THR 201 Ca 0.27 -1.35 0.18 0.00 -1.18 0.00 0.00 61.69 59.61 1nfr s THR 201 Cb -0.13 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.33 1nfr s THR 201 CO 0.12 -0.31 1.16 0.00 -0.54 0.00 0.00 174.62 175.05 1nfr h ALA 202 N 1.40 0.67 0.00 3.99 0.00 -0.22 -3.33 119.26 121.78 1nfr h ALA 202 Ca -0.48 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1nfr h ALA 202 Cb 1.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1nfr h ALA 202 CO 0.60 0.52 -0.33 1.28 0.00 0.00 0.00 179.25 181.32 1nfr n LEU 203 N -2.98 0.40 -2.40 0.00 4.77 -1.06 -4.98 117.00 110.75 1nfr n LEU 203 Ca -0.02 0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 1nfr n LEU 203 Cb 0.71 -0.32 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1nfr n LEU 203 CO 0.40 0.04 0.05 0.61 -1.33 0.00 0.00 177.39 177.16 1nfr n GLY 204 N 1.46 -0.18 3.61 -0.72 0.00 -1.25 -5.00 105.19 103.11 1nfr n GLY 204 Ca 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1nfr n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nfr s ARG 205 N -5.54 0.53 0.60 1.61 1.70 -1.26 -5.06 118.95 111.51 1nfr s ARG 205 Ca 0.28 -0.25 -0.05 0.00 -0.47 0.00 0.00 55.73 55.24 1nfr s ARG 205 Cb -0.12 0.20 0.02 0.00 -0.57 0.00 0.00 34.95 34.48 1nfr s ARG 205 CO 0.35 -0.24 0.89 0.00 -1.08 0.00 0.00 175.30 175.22 1nfr s ALA 206 N -2.63 3.37 0.15 7.88 0.00 -1.24 -4.95 121.76 124.35 1nfr s ALA 206 Ca 0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 1nfr s ALA 206 Cb 0.01 -2.51 -0.06 0.00 0.00 0.00 0.00 23.12 20.57 1nfr s ALA 206 CO -0.04 -0.85 0.41 0.00 0.00 0.00 0.00 175.76 175.28 1nfr s ALA 207 N -2.98 3.74 0.17 0.00 0.00 0.06 -4.93 121.76 117.82 1nfr s ALA 207 Ca 0.55 -0.48 -0.18 0.00 0.00 0.00 0.00 51.96 51.85 1nfr s ALA 207 Cb -0.10 -2.20 -0.07 0.00 0.00 0.00 0.00 23.12 20.74 1nfr s ALA 207 CO 0.44 0.63 0.64 -1.21 0.00 0.00 0.00 175.76 176.25 1nfr s GLU 208 N -2.57 4.17 0.32 0.00 0.41 -1.26 -0.59 118.70 119.18 1nfr s GLU 208 Ca 0.41 0.73 0.07 0.00 -0.41 0.00 0.00 54.97 55.77 1nfr s GLU 208 Cb -0.12 -2.98 0.78 0.00 -1.78 0.00 0.00 34.13 30.03 1nfr s GLU 208 CO 0.23 0.48 1.78 -1.00 -0.49 0.00 0.00 175.26 176.26 1nfr h PRO 209 N 3.71 0.70 0.00 0.39 0.13 -1.95 -0.80 132.00 134.19 1nfr h PRO 209 Ca -0.48 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1nfr h PRO 209 Cb 1.20 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1nfr h PRO 209 CO 0.65 0.46 -0.00 -0.24 -0.23 0.00 0.00 178.00 178.65 1nfr h VAL 210 N 0.72 0.56 0.00 1.56 3.04 -1.93 -0.37 116.25 119.84 1nfr h VAL 210 Ca 0.57 -0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 66.23 1nfr h VAL 210 Cb 0.94 1.00 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1nfr h VAL 210 CO -0.36 0.00 -0.15 -0.33 -1.01 0.00 0.00 177.57 175.73 1nfr h GLU 211 N 0.00 0.00 0.04 4.17 5.08 -1.53 0.20 114.58 122.54 1nfr h GLU 211 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1nfr h GLU 211 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1nfr h GLU 211 CO 0.00 0.15 -1.70 0.28 -1.00 0.00 0.00 179.01 176.74 1nfr h VAL 212 N 0.00 0.89 -0.81 3.13 2.07 -1.19 -3.34 116.25 117.00 1nfr h VAL 212 Ca -0.00 -2.69 -0.02 0.00 0.82 0.00 0.00 66.70 64.81 1nfr h VAL 212 Cb 0.39 2.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 1nfr h VAL 212 CO 0.02 0.64 0.43 0.28 0.02 0.00 0.00 177.57 178.96 1nfr h SER 213 N 0.02 1.01 -0.54 0.57 0.02 -0.65 -0.57 113.55 113.40 1nfr h SER 213 Ca -0.29 -0.09 0.12 0.00 -0.84 0.00 0.00 61.79 60.68 1nfr h SER 213 Cb 2.00 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 64.26 1nfr h SER 213 CO 0.09 0.82 0.37 0.78 -1.14 0.00 0.00 176.83 177.76 1nfr h ASN 214 N 1.13 0.20 0.61 3.07 2.35 -1.11 0.24 115.58 122.06 1nfr h ASN 214 Ca 0.28 0.01 -0.25 0.00 -0.55 0.00 0.00 56.30 55.79 1nfr h ASN 214 Cb 0.05 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1nfr h ASN 214 CO -0.04 0.12 -1.12 0.25 -1.65 0.00 0.00 177.43 174.98 1nfr h LEU 215 N 0.22 0.38 -0.74 1.61 5.85 -1.28 -2.70 115.31 118.65 1nfr h LEU 215 Ca 0.26 -0.37 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 1nfr h LEU 215 Cb 0.71 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1nfr h LEU 215 CO -0.05 1.25 0.01 0.58 -0.34 0.00 0.00 178.44 179.90 1nfr h VAL 216 N 0.10 1.26 -0.46 1.05 2.07 0.12 -1.54 116.25 118.84 1nfr h VAL 216 Ca -0.10 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 1nfr h VAL 216 Cb 1.82 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1nfr h VAL 216 CO 0.18 0.39 0.06 0.58 0.02 0.00 0.00 177.57 178.80 1nfr h VAL 217 N 0.90 1.25 -0.17 2.57 2.07 -0.67 -1.12 116.25 121.08 1nfr h VAL 217 Ca 0.17 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1nfr h VAL 217 Cb 0.51 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1nfr h VAL 217 CO 0.02 0.33 0.09 0.22 0.02 0.00 0.00 177.57 178.26 1nfr h TYR 218 N 0.64 0.23 -0.02 1.57 3.20 -1.21 -0.95 116.97 120.42 1nfr h TYR 218 Ca 0.14 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1nfr h TYR 218 Cb 0.41 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1nfr h TYR 218 CO 0.03 0.22 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.30 1nfr h LEU 219 N 0.17 0.05 -0.37 2.82 3.38 -1.22 -2.93 115.31 117.22 1nfr h LEU 219 Ca 0.06 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1nfr h LEU 219 Cb 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1nfr h LEU 219 CO -0.01 0.45 -0.82 0.00 0.09 0.00 0.00 178.44 178.14 1nfr h ALA 220 N 1.56 0.63 -2.49 1.53 0.00 -1.00 -3.46 119.26 116.03 1nfr h ALA 220 Ca 0.00 -0.72 -0.46 0.00 0.00 0.00 0.00 54.91 53.73 1nfr h ALA 220 Cb 0.72 -0.11 0.13 0.00 0.00 0.00 0.00 17.79 18.53 1nfr h ALA 220 CO 0.05 0.97 0.30 -1.54 0.00 0.00 0.00 179.25 179.03 1nfr s SER 221 N -6.83 3.50 0.00 0.00 1.04 -0.38 -4.86 113.70 106.17 1nfr s SER 221 Ca -0.01 0.96 0.31 0.00 0.48 0.00 0.00 55.95 57.70 1nfr s SER 221 Cb 0.11 -1.54 1.77 0.00 0.10 0.00 0.00 66.02 66.46 1nfr s SER 221 CO 0.80 -2.56 2.16 0.47 0.98 0.00 0.00 173.24 175.09 1nfr n ASP 222 N -3.77 0.17 0.08 7.02 8.00 -1.26 -3.65 116.55 123.14 1nfr n ASP 222 Ca 0.06 -0.98 0.02 0.00 0.71 0.00 0.00 54.79 54.60 1nfr n ASP 222 Cb 0.59 -0.02 0.38 0.00 -0.02 0.00 0.00 41.12 42.05 1nfr n ASP 222 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1nfr h GLU 223 N 0.26 0.34 -1.04 -1.24 5.08 -1.92 -2.68 114.58 113.39 1nfr h GLU 223 Ca 0.00 -0.06 -0.46 0.00 -1.00 0.00 0.00 59.36 57.84 1nfr h GLU 223 Cb 0.08 -0.05 -0.25 0.00 0.50 0.00 0.00 28.75 29.03 1nfr h GLU 223 CO 0.00 0.40 0.58 -1.13 -1.00 0.00 0.00 179.01 177.87 1nfr n SER 224 N -4.32 4.42 0.19 1.42 3.41 -1.24 -4.73 113.62 112.78 1nfr n SER 224 Ca 0.00 -3.38 0.18 0.00 -0.26 0.00 0.00 58.87 55.41 1nfr n SER 224 Cb 0.22 -0.83 0.75 0.00 -0.26 0.00 0.00 64.21 64.10 1nfr n SER 224 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nfr h SER 225 N 1.04 0.00 -0.30 4.04 4.64 -1.73 -1.81 113.55 119.43 1nfr h SER 225 Ca 0.52 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.82 1nfr h SER 225 Cb 2.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.26 1nfr h SER 225 CO 1.00 0.00 0.01 0.00 -0.87 0.00 0.00 176.83 176.97 1nfr n TYR 226 N -3.34 1.08 -4.30 4.77 9.36 -1.26 -4.93 117.16 118.54 1nfr n TYR 226 Ca 0.04 -0.93 -0.34 0.00 3.32 0.00 0.00 57.90 59.99 1nfr n TYR 226 Cb 0.54 -0.35 -0.15 0.00 -0.63 0.00 0.00 39.34 38.75 1nfr n TYR 226 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1nfr s SER 227 N -1.87 3.83 -0.20 2.98 0.01 -0.68 -5.10 113.70 112.67 1nfr s SER 227 Ca 0.44 -0.45 -0.27 0.00 1.31 0.00 0.00 55.95 56.97 1nfr s SER 227 Cb 0.36 -1.61 0.07 0.00 0.21 0.00 0.00 66.02 65.05 1nfr s SER 227 CO 0.09 0.05 0.74 0.28 0.41 0.00 0.00 173.24 174.80 1nfr s THR 228 N 1.03 0.00 -0.22 1.44 -1.32 -1.26 -4.72 115.64 110.59 1nfr s THR 228 Ca -0.01 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1nfr s THR 228 Cb -0.15 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1nfr s THR 228 CO -0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1nfr n GLY 229 N 2.03 0.52 3.79 6.08 0.00 0.26 -4.95 105.19 112.92 1nfr n GLY 229 Ca -0.15 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1nfr n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfr s ALA 230 N -1.88 3.51 -0.27 4.61 0.00 -1.26 -4.64 121.76 121.83 1nfr s ALA 230 Ca 0.00 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.49 1nfr s ALA 230 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1nfr s ALA 230 CO 0.00 0.37 0.23 -1.21 0.00 0.00 0.00 175.76 175.15 1nfr s GLU 231 N -3.47 3.98 -0.38 0.00 2.02 -1.26 -1.48 118.70 118.11 1nfr s GLU 231 Ca 0.32 -0.24 -0.09 0.00 0.02 0.00 0.00 54.97 54.98 1nfr s GLU 231 Cb -0.09 -3.64 0.05 0.00 0.10 0.00 0.00 34.13 30.55 1nfr s GLU 231 CO 0.23 -0.17 0.20 -0.06 0.02 0.00 0.00 175.26 175.48 1nfr s PHE 232 N 1.74 3.29 -0.11 1.61 0.40 0.22 -4.99 117.98 120.14 1nfr s PHE 232 Ca 0.09 -1.33 -0.21 0.00 -0.60 0.00 0.00 56.93 54.87 1nfr s PHE 232 Cb -0.16 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 1nfr s PHE 232 CO 0.10 -0.75 0.62 0.08 0.70 0.00 0.00 175.22 175.96 1nfr s VAL 233 N 1.46 5.09 -0.48 -0.44 1.01 -1.26 -0.92 120.40 124.85 1nfr s VAL 233 Ca 0.01 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.29 1nfr s VAL 233 Cb -0.21 -3.95 0.20 0.00 0.00 0.00 0.00 36.38 32.42 1nfr s VAL 233 CO 0.04 0.25 0.45 0.55 0.00 0.00 0.00 175.10 176.39 1nfr n VAL 234 N 3.91 -0.22 -1.23 2.92 3.14 -0.68 -4.94 118.33 121.23 1nfr n VAL 234 Ca -0.03 -4.01 0.04 0.00 -2.96 0.00 0.00 64.34 57.38 1nfr n VAL 234 Cb 0.51 -1.87 0.05 0.00 -1.06 0.00 0.00 33.84 31.47 1nfr n VAL 234 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1nfr n ASP 235 N 2.13 1.16 0.00 6.55 5.75 -1.26 -2.03 116.55 128.84 1nfr n ASP 235 Ca 0.26 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1nfr n ASP 235 Cb 0.46 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1nfr n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nfr n GLY 236 N -0.60 0.39 0.00 6.12 0.00 -1.26 -3.15 105.19 106.68 1nfr n GLY 236 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nfr n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfr n GLY 237 N -1.53 0.51 0.43 -0.02 0.00 -1.26 0.51 105.19 103.83 1nfr n GLY 237 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1nfr n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nfr h THR 238 N 0.00 0.01 0.00 2.61 2.02 -1.64 0.08 112.91 115.99 1nfr h THR 238 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nfr h THR 238 Cb 0.00 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1nfr h THR 238 CO 0.00 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.22 1nfr n VAL 239 N -5.34 0.75 0.25 3.16 0.24 -1.26 -2.54 118.33 113.60 1nfr n VAL 239 Ca -0.01 0.19 0.14 0.00 -2.04 0.00 0.00 64.34 62.62 1nfr n VAL 239 Cb 0.32 -0.88 0.37 0.00 -1.47 0.00 0.00 33.84 32.18 1nfr n VAL 239 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nfr h ALA 240 N 2.62 1.00 -1.77 2.33 0.00 -1.37 -3.46 119.26 118.61 1nfr h ALA 240 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1nfr h ALA 240 Cb 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 1nfr h ALA 240 CO 0.00 0.00 -0.59 0.20 0.00 0.00 0.00 179.25 178.86 1nfr s GLY 241 N -4.17 2.27 0.19 0.00 0.00 -1.05 -5.13 107.32 99.42 1nfr s GLY 241 Ca 0.05 -2.11 -0.20 0.00 0.00 0.00 0.00 44.72 42.46 1nfr s GLY 241 CO 0.62 -1.97 0.69 1.08 0.00 0.00 0.00 173.10 173.51 1nfr s LEU 242 N -3.75 4.40 -0.30 0.66 1.43 -1.26 -5.00 118.68 114.86 1nfr s LEU 242 Ca 0.36 1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 54.56 1nfr s LEU 242 Cb 0.04 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 1nfr s LEU 242 CO 0.20 0.10 1.76 0.00 0.23 0.00 0.00 176.35 178.63 1nfr s ALA 243 N -1.41 2.98 0.09 4.21 0.00 -1.26 -4.98 121.76 121.38 1nfr s ALA 243 Ca 0.40 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.75 1nfr s ALA 243 Cb -0.18 -3.97 -0.04 0.00 0.00 0.00 0.00 23.12 18.93 1nfr s ALA 243 CO 0.21 -2.44 -0.08 -1.01 0.00 0.00 0.00 175.76 172.44 1nfr s HIS 244 N 6.44 2.80 -2.33 0.00 0.09 -1.26 -5.25 115.29 115.77 1nfr s HIS 244 Ca 0.78 -0.12 0.29 0.00 -0.00 0.00 0.00 55.06 56.02 1nfr s HIS 244 Cb -0.23 -1.47 1.34 0.00 -0.00 0.00 0.00 32.58 32.21 1nfr s HIS 244 CO 0.33 0.43 1.91 0.09 -0.00 0.00 0.00 174.74 177.49