#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 -0.07 0.16 0.23 0.00 -1.25 -4.91 105.19 99.35 1nfr n GLY 3 Ca 0.00 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.99 0.00 0.00 1.61 3.08 -1.84 -3.15 114.38 113.09 1nfr h ARG 4 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1nfr h ARG 4 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1nfr h ARG 4 CO 0.36 0.00 -0.09 1.28 -1.07 0.00 0.00 179.97 180.46 1nfr n LEU 5 N -2.47 1.52 -4.66 3.04 4.77 0.24 -4.77 117.00 114.67 1nfr n LEU 5 Ca 0.03 -1.98 -0.50 0.00 -0.03 0.00 0.00 56.01 53.52 1nfr n LEU 5 Cb 0.31 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1nfr n LEU 5 CO 0.24 0.47 1.23 0.41 -1.33 0.00 0.00 177.39 178.41 1nfr n THR 6 N -0.71 0.21 0.00 -5.08 -1.04 -1.00 -1.27 114.28 105.39 1nfr n THR 6 Ca 0.06 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1nfr n THR 6 Cb 0.51 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 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 3.60 2.17 3.86 3.41 0.00 -1.21 -4.98 105.19 112.05 1nfr n GLY 7 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.78 3.83 -0.13 1.61 1.02 -0.40 -4.98 119.74 119.92 1nfr s LYS 8 Ca 0.00 0.27 -0.02 0.00 0.02 0.00 0.00 55.97 56.24 1nfr s LYS 8 Cb 0.00 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1nfr s LYS 8 CO 0.00 0.51 -0.08 0.08 -0.92 0.00 0.00 175.35 174.94 1nfr s VAL 9 N -1.47 3.55 0.08 3.17 1.01 -1.26 -1.89 120.40 123.59 1nfr s VAL 9 Ca 0.36 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1nfr s VAL 9 Cb -0.14 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1nfr s VAL 9 CO 0.19 0.52 -0.19 0.00 0.00 0.00 0.00 175.10 175.62 1nfr s ALA 10 N 0.16 1.62 -0.17 5.51 0.00 -0.15 -0.77 121.76 127.97 1nfr s ALA 10 Ca -0.04 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1nfr s ALA 10 Cb -0.14 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1nfr s ALA 10 CO 0.04 0.32 -0.16 -1.17 0.00 0.00 0.00 175.76 174.78 1nfr s LEU 11 N -1.70 2.36 -0.14 0.00 2.96 0.10 -0.33 118.68 121.94 1nfr s LEU 11 Ca 0.05 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1nfr s LEU 11 Cb -0.10 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1nfr s LEU 11 CO 0.03 0.04 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.19 1nfr s VAL 12 N 1.09 2.04 0.19 1.68 1.01 0.11 -0.80 120.40 125.72 1nfr s VAL 12 Ca -0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1nfr s VAL 12 Cb -0.14 -1.80 -0.07 0.00 0.00 0.00 0.00 36.38 34.36 1nfr s VAL 12 CO -0.05 0.55 0.55 -0.94 0.00 0.00 0.00 175.10 175.21 1nfr s SER 13 N 0.78 6.72 -1.36 3.32 1.04 -0.91 -1.13 113.70 122.16 1nfr s SER 13 Ca -0.08 1.00 -0.06 0.00 0.48 0.00 0.00 55.95 57.30 1nfr s SER 13 Cb -0.16 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 63.71 1nfr s SER 13 CO -0.01 0.01 0.77 0.61 0.98 0.00 0.00 173.24 175.60 1nfr n GLY 14 N 0.31 -0.43 0.83 7.32 0.00 0.56 -2.40 105.19 111.38 1nfr n GLY 14 Ca -0.02 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.64 1.12 0.10 -0.02 0.00 -0.97 -3.94 105.19 99.84 1nfr n GLY 15 Ca -0.06 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.64 1nfr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfr n ALA 16 N 0.63 2.19 -3.62 4.61 0.00 -1.26 -2.81 120.51 120.25 1nfr n ALA 16 Ca 0.14 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.62 1nfr n ALA 16 Cb 0.41 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.42 1nfr n ALA 16 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1nfr n ARG 17 N -2.19 0.47 0.00 0.00 1.85 -1.26 -4.58 116.66 110.95 1nfr n ARG 17 Ca 0.05 -1.06 0.00 0.00 -1.00 0.00 0.00 57.85 55.84 1nfr n ARG 17 Cb 0.39 1.43 0.00 0.00 -1.05 0.00 0.00 32.46 33.23 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 -0.50 -0.04 3.94 2.89 0.00 -1.26 -1.80 105.19 108.43 1nfr n GLY 18 Ca -0.02 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.21 -0.02 0.00 -1.25 -1.92 105.19 102.20 1nfr n GLY 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.47 -0.38 4.61 0.00 -1.19 -2.08 119.26 120.71 1nfr h ALA 21 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1nfr h ALA 21 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1nfr h ALA 21 CO 0.00 0.31 0.07 1.03 0.00 0.00 0.00 179.25 180.66 1nfr h SER 22 N 0.45 0.00 -0.53 0.00 0.87 -1.65 -0.72 113.55 111.98 1nfr h SER 22 Ca 0.09 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1nfr h SER 22 Cb 0.57 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1nfr h SER 22 CO 0.03 0.04 0.33 0.45 -0.53 0.00 0.00 176.83 177.16 1nfr h HIS 23 N 0.20 0.63 0.25 2.24 3.86 -1.81 -0.07 115.15 120.45 1nfr h HIS 23 Ca 0.18 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1nfr h HIS 23 Cb 0.21 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1nfr h HIS 23 CO -0.20 0.38 -0.27 0.28 0.86 0.00 0.00 177.93 178.98 1nfr h VAL 24 N 0.68 0.42 -0.51 2.45 2.07 -0.70 -2.89 116.25 117.76 1nfr h VAL 24 Ca 0.20 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.77 1nfr h VAL 24 Cb -0.04 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1nfr h VAL 24 CO -0.07 0.00 0.25 0.03 0.02 0.00 0.00 177.57 177.80 1nfr h ARG 25 N -0.57 0.47 -0.28 1.57 3.08 -0.92 -0.44 114.38 117.29 1nfr h ARG 25 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1nfr h ARG 25 Cb 0.53 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1nfr h ARG 25 CO -0.07 0.31 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 1nfr n ALA 26 N -2.34 1.22 0.00 0.04 0.00 -0.06 -0.69 120.51 118.68 1nfr n ALA 26 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1nfr n ALA 26 Cb 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 0.49 0.00 0.28 0.00 0.31 -0.18 -1.17 118.33 118.05 1nfr n VAL 28 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1nfr n VAL 28 Cb 0.03 0.00 0.80 0.00 -0.91 0.00 0.00 33.84 33.76 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 1.45 -0.36 3.52 0.00 -1.14 -1.09 119.26 121.64 1nfr h ALA 29 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nfr h ALA 29 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nfr h ALA 29 CO 0.00 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.72 1nfr n GLU 30 N -3.82 3.42 -0.97 0.00 -0.58 -0.32 -4.38 120.64 113.98 1nfr n GLU 30 Ca -0.02 -1.95 0.00 0.00 -0.42 0.00 0.00 57.16 54.76 1nfr n GLU 30 Cb 0.16 -1.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 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 0.39 0.43 3.91 0.62 0.00 -0.41 -0.59 105.19 109.54 1nfr n GLY 31 Ca 0.17 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 3.81 -0.09 4.61 0.00 -1.24 -3.28 121.76 123.56 1nfr s ALA 32 Ca 0.00 -0.66 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 1nfr s ALA 32 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 1nfr s ALA 32 CO 0.00 0.59 0.40 0.15 0.00 0.00 0.00 175.76 176.90 1nfr s LYS 33 N -2.89 4.17 -0.05 0.00 -0.14 -0.79 -4.10 119.74 115.94 1nfr s LYS 33 Ca 0.40 0.32 0.02 0.00 -1.36 0.00 0.00 55.97 55.36 1nfr s LYS 33 Cb -0.12 -3.36 0.01 0.00 -1.68 0.00 0.00 37.83 32.68 1nfr s LYS 33 CO 0.26 0.36 -0.10 0.08 -0.76 0.00 0.00 175.35 175.19 1nfr s VAL 34 N 0.03 0.93 -0.23 3.17 1.01 -0.05 -0.97 120.40 124.28 1nfr s VAL 34 Ca 0.22 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1nfr s VAL 34 Cb -0.15 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1nfr s VAL 34 CO 0.09 0.30 -0.02 -0.69 0.00 0.00 0.00 175.10 174.78 1nfr s VAL 35 N 0.52 3.57 -0.10 2.92 1.01 0.55 -0.64 120.40 128.24 1nfr s VAL 35 Ca -0.10 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1nfr s VAL 35 Cb -0.13 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1nfr s VAL 35 CO 0.02 0.40 -0.18 0.72 0.00 0.00 0.00 175.10 176.06 1nfr s PHE 36 N 1.51 2.09 0.24 5.22 -0.12 -0.66 -0.71 117.98 125.54 1nfr s PHE 36 Ca 0.06 -0.90 0.08 0.00 -0.05 0.00 0.00 56.93 56.12 1nfr s PHE 36 Cb -0.14 -1.46 -0.04 0.00 -0.63 0.00 0.00 43.02 40.75 1nfr s PHE 36 CO -0.02 -0.42 0.05 0.20 -0.05 0.00 0.00 175.22 174.99 1nfr s GLY 37 N 0.68 1.61 0.08 1.99 0.00 -0.29 -1.91 107.32 109.48 1nfr s GLY 37 Ca -0.13 -1.51 -0.26 0.00 0.00 0.00 0.00 44.72 42.83 1nfr s GLY 37 CO 0.03 -1.55 1.16 -0.35 0.00 0.00 0.00 173.10 172.39 1nfr s ASP 38 N -3.51 -0.03 -0.01 1.64 -1.08 -1.10 -0.32 116.67 112.25 1nfr s ASP 38 Ca 0.31 -0.39 0.18 0.00 -0.52 0.00 0.00 52.55 52.13 1nfr s ASP 38 Cb -0.08 0.32 -0.22 0.00 -1.46 0.00 0.00 42.92 41.49 1nfr s ASP 38 CO 0.21 -0.63 0.70 2.30 0.52 0.00 0.00 175.17 178.27 1nfr n ILE 39 N -0.69 0.00 -2.51 4.11 -5.35 -1.26 -1.92 119.36 111.74 1nfr n ILE 39 Ca -0.02 -0.14 -0.43 0.00 -0.27 0.00 0.00 62.75 61.89 1nfr n ILE 39 Cb 0.60 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 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 -1.57 6.42 -0.33 7.28 4.77 -1.26 -4.85 117.00 127.45 1nfr n LEU 40 Ca 0.02 -4.69 0.15 0.00 -0.03 0.00 0.00 56.01 51.45 1nfr n LEU 40 Cb 0.32 -1.47 0.37 0.00 -2.33 0.00 0.00 43.42 40.31 1nfr n LEU 40 CO 0.37 1.33 1.20 0.44 -1.33 0.00 0.00 177.39 179.40 1nfr h ASP 41 N 5.91 0.70 0.41 -1.43 3.32 -1.97 -1.40 116.42 121.97 1nfr h ASP 41 Ca 0.36 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 1nfr h ASP 41 Cb 0.66 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1nfr h ASP 41 CO 1.53 0.24 -0.21 -0.33 -1.72 0.00 0.00 179.24 178.75 1nfr h GLU 42 N 0.68 -0.55 -0.53 3.56 3.07 -1.99 0.55 114.58 119.36 1nfr h GLU 42 Ca 0.56 0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.42 1nfr h GLU 42 Cb 0.99 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 1nfr h GLU 42 CO -0.34 -0.37 0.14 0.93 -1.40 0.00 0.00 179.01 177.97 1nfr h GLU 43 N -0.58 0.80 -0.31 2.33 5.08 -1.82 -1.68 114.58 118.41 1nfr h GLU 43 Ca -0.05 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1nfr h GLU 43 Cb 0.45 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nfr h GLU 43 CO 0.08 0.72 0.07 0.78 -1.00 0.00 0.00 179.01 179.65 1nfr h GLY 44 N 0.95 0.53 1.94 -3.84 0.00 -0.97 -2.90 103.07 98.77 1nfr h GLY 44 Ca 0.17 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1nfr h GLY 44 CO -0.00 0.31 -0.43 0.50 0.00 0.00 0.00 176.54 176.92 1nfr h LYS 45 N 0.33 0.07 -0.21 4.80 1.57 -0.71 -2.31 116.57 120.11 1nfr h LYS 45 Ca 0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1nfr h LYS 45 Cb 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1nfr h LYS 45 CO 0.00 0.49 0.00 0.00 -0.57 0.00 0.00 179.45 179.37 1nfr n ALA 46 N -2.46 1.56 0.00 3.86 0.00 -0.65 -2.39 120.51 120.42 1nfr n ALA 46 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1nfr n ALA 46 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.10 0.00 0.12 0.00 0.00 -0.87 -3.12 120.51 116.73 1nfr n ALA 48 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1nfr n ALA 48 Cb 0.05 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.55 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 0.65 -0.01 0.00 0.00 -1.75 0.18 119.26 118.33 1nfr h ALA 49 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1nfr h ALA 49 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1nfr h ALA 49 CO 0.00 0.82 -0.32 -0.85 0.00 0.00 0.00 179.25 178.91 1nfr n GLU 50 N -3.38 0.98 -0.03 0.00 0.28 -1.18 -3.95 120.64 113.36 1nfr n GLU 50 Ca 0.01 -0.67 -0.01 0.00 -0.16 0.00 0.00 57.16 56.32 1nfr n GLU 50 Cb 0.75 -1.49 -0.08 0.00 1.43 0.00 0.00 31.44 32.06 1nfr n GLU 50 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1nfr n LEU 51 N -0.42 0.00 0.00 -1.84 4.77 -1.19 -4.96 117.00 113.35 1nfr n LEU 51 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1nfr n LEU 51 Cb 0.39 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1nfr n LEU 51 CO 0.26 0.15 0.00 0.00 -1.33 0.00 0.00 177.39 176.47 1nfr n ALA 52 N -2.17 0.00 0.00 -1.18 0.00 0.64 -2.06 120.51 115.74 1nfr n ALA 52 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1nfr n ALA 52 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1nfr n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nfr n ASP 53 N 0.00 0.00 0.00 0.00 -0.08 -1.26 -1.94 116.55 113.27 1nfr n ASP 53 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1nfr n ASP 53 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1nfr n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nfr n ALA 54 N -0.23 0.00 -2.49 -1.67 0.00 -0.87 -5.10 120.51 110.15 1nfr n ALA 54 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1nfr n ALA 54 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 0.00 0.50 -0.06 0.00 0.00 -0.82 -0.88 121.76 120.50 1nfr s ALA 55 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1nfr s ALA 55 Cb 0.00 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1nfr s ALA 55 CO 0.00 -0.22 0.02 1.03 0.00 0.00 0.00 175.76 176.59 1nfr s ARG 56 N -2.81 0.37 0.00 0.00 1.81 0.19 -4.57 118.95 113.95 1nfr s ARG 56 Ca -0.01 0.19 -0.17 0.00 -1.72 0.00 0.00 55.73 54.01 1nfr s ARG 56 Cb -0.01 -0.84 -0.06 0.00 -0.45 0.00 0.00 34.95 33.59 1nfr s ARG 56 CO -0.05 -0.32 0.48 -0.47 -0.68 0.00 0.00 175.30 174.26 1nfr s TYR 57 N 2.04 3.71 0.09 -0.53 5.04 -1.26 -1.65 117.35 124.79 1nfr s TYR 57 Ca 0.05 1.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.78 1nfr s TYR 57 Cb -0.12 -2.42 -0.04 0.00 0.35 0.00 0.00 41.96 39.73 1nfr s TYR 57 CO -0.05 0.52 -0.08 0.14 -1.34 0.00 0.00 175.55 174.75 1nfr s VAL 58 N -0.72 0.76 -0.07 3.14 -7.23 -0.80 -4.96 120.40 110.51 1nfr s VAL 58 Ca 0.26 -1.70 -0.27 0.00 -1.81 0.00 0.00 61.98 58.46 1nfr s VAL 58 Cb -0.17 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1nfr s VAL 58 CO 0.15 -0.69 0.87 -2.28 -0.31 0.00 0.00 175.10 172.84 1nfr s HIS 59 N -2.86 3.56 -0.20 2.82 2.46 -1.26 -2.73 115.29 117.08 1nfr s HIS 59 Ca 0.06 1.45 -0.04 0.00 0.47 0.00 0.00 55.06 57.00 1nfr s HIS 59 Cb 0.00 -3.01 0.10 0.00 -0.13 0.00 0.00 32.58 29.54 1nfr s HIS 59 CO -0.02 -0.06 0.29 -1.17 -2.47 0.00 0.00 174.74 171.31 1nfr s LEU 60 N 1.35 -0.34 -0.42 8.88 2.96 -0.81 -4.82 118.68 125.48 1nfr s LEU 60 Ca 0.44 0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 54.34 1nfr s LEU 60 Cb -0.19 0.73 0.03 0.00 0.50 0.00 0.00 46.19 47.26 1nfr s LEU 60 CO 0.20 -0.30 0.31 -0.62 -1.32 0.00 0.00 176.35 174.62 1nfr s ASP 61 N 2.43 6.07 0.00 3.68 -1.08 -1.26 -3.70 116.67 122.81 1nfr s ASP 61 Ca 0.07 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 51.11 1nfr s ASP 61 Cb -0.15 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1nfr s ASP 61 CO -0.13 -0.48 0.75 1.33 0.52 0.00 0.00 175.17 177.16 1nfr n VAL 62 N 5.15 1.11 1.11 1.11 0.24 -1.26 -0.73 118.33 125.06 1nfr n VAL 62 Ca -0.11 0.35 0.13 0.00 -2.04 0.00 0.00 64.34 62.66 1nfr n VAL 62 Cb 0.46 -1.35 0.34 0.00 -1.47 0.00 0.00 33.84 31.83 1nfr n VAL 62 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nfr n THR 63 N -1.25 0.00 -3.84 3.34 -2.24 -1.26 -4.24 114.28 104.79 1nfr n THR 63 Ca 0.00 -0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 1nfr n THR 63 Cb 0.07 0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.80 2.41 0.60 -0.78 1.11 0.09 -4.98 119.66 115.30 1nfr s GLN 64 Ca 0.17 -1.35 0.29 0.00 0.01 0.00 0.00 55.36 54.49 1nfr s GLN 64 Cb 0.18 -3.34 1.66 0.00 -1.01 0.00 0.00 33.01 30.51 1nfr s GLN 64 CO 0.61 -0.72 2.07 -1.00 0.01 0.00 0.00 175.29 176.26 1nfr h PRO 65 N 8.07 0.00 -0.36 2.91 0.13 -1.85 -1.51 132.00 139.39 1nfr h PRO 65 Ca -0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1nfr h PRO 65 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1nfr h PRO 65 CO 0.58 0.00 0.09 0.00 -0.23 0.00 0.00 178.00 178.44 1nfr h ALA 66 N 1.70 0.48 -0.01 -0.56 0.00 -1.94 -0.48 119.26 118.45 1nfr h ALA 66 Ca 0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1nfr h ALA 66 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1nfr h ALA 66 CO -0.00 0.15 -0.47 1.96 0.00 0.00 0.00 179.25 180.89 1nfr h GLN 67 N 0.43 0.02 -0.16 0.00 4.20 -1.61 -1.26 115.11 116.73 1nfr h GLN 67 Ca 0.11 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1nfr h GLN 67 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1nfr h GLN 67 CO 0.00 0.49 0.01 -1.49 -0.67 0.00 0.00 178.83 177.17 1nfr h TRP 68 N 0.01 0.30 -0.97 2.96 4.06 -1.13 -0.76 115.95 120.42 1nfr h TRP 68 Ca -0.00 -0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.91 1nfr h TRP 68 Cb 0.84 -0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.87 1nfr h TRP 68 CO 0.00 0.47 0.64 -0.22 -3.56 0.00 0.00 178.44 175.77 1nfr h LYS 69 N 0.04 1.29 -0.55 0.49 3.64 -0.84 -0.80 116.57 119.84 1nfr h LYS 69 Ca 0.05 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1nfr h LYS 69 Cb 0.34 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1nfr h LYS 69 CO 0.01 0.86 0.16 0.00 -2.27 0.00 0.00 179.45 178.21 1nfr h ALA 70 N 1.35 0.73 -0.29 5.00 0.00 -1.03 -1.10 119.26 123.91 1nfr h ALA 70 Ca 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nfr h ALA 70 Cb -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1nfr h ALA 70 CO -0.08 0.40 0.13 0.00 0.00 0.00 0.00 179.25 179.71 1nfr h ALA 71 N 1.03 0.38 -0.36 0.00 0.00 -0.65 -1.62 119.26 118.05 1nfr h ALA 71 Ca 0.18 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1nfr h ALA 71 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1nfr h ALA 71 CO -0.00 -0.05 0.21 0.28 0.00 0.00 0.00 179.25 179.69 1nfr h VAL 72 N 0.33 1.04 0.00 0.00 2.07 -0.96 -1.87 116.25 116.86 1nfr h VAL 72 Ca 0.10 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1nfr h VAL 72 Cb 0.14 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1nfr h VAL 72 CO -0.01 0.08 -0.18 0.44 0.02 0.00 0.00 177.57 177.92 1nfr h ASP 73 N 0.43 0.00 -0.30 0.57 3.32 -1.08 -1.86 116.42 117.51 1nfr h ASP 73 Ca 0.14 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1nfr h ASP 73 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1nfr h ASP 73 CO -0.07 0.18 -0.10 0.74 -1.72 0.00 0.00 179.24 178.27 1nfr h THR 74 N 0.00 1.29 0.13 0.35 2.02 -0.52 -1.27 112.91 114.92 1nfr h THR 74 Ca -0.00 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 1nfr h THR 74 Cb 0.36 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1nfr h THR 74 CO 0.02 0.37 -0.06 0.00 0.37 0.00 0.00 175.52 176.22 1nfr h ALA 75 N 0.78 -0.18 0.31 6.16 0.00 -0.79 -0.37 119.26 125.17 1nfr h ALA 75 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1nfr h ALA 75 Cb 0.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1nfr h ALA 75 CO 0.03 -0.58 -0.20 0.28 0.00 0.00 0.00 179.25 178.78 1nfr h VAL 76 N -0.23 0.57 -0.73 0.00 2.07 -1.34 0.35 116.25 116.94 1nfr h VAL 76 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1nfr h VAL 76 Cb 0.18 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1nfr h VAL 76 CO 0.03 0.00 0.21 0.71 0.02 0.00 0.00 177.57 178.54 1nfr h THR 77 N -0.50 1.26 0.03 2.57 1.35 -1.24 0.87 112.91 117.25 1nfr h THR 77 Ca -0.03 -0.93 -0.26 0.00 -0.55 0.00 0.00 66.41 64.64 1nfr h THR 77 Cb 0.42 0.47 -0.03 0.00 -1.73 0.00 0.00 68.15 67.29 1nfr h THR 77 CO 0.02 0.36 -1.34 0.00 -0.25 0.00 0.00 175.52 174.31 1nfr h ALA 78 N 1.13 0.44 0.00 6.62 0.00 -1.00 -3.38 119.26 123.07 1nfr h ALA 78 Ca 0.23 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1nfr h ALA 78 Cb 0.33 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1nfr h ALA 78 CO -0.00 1.31 0.00 1.19 0.00 0.00 0.00 179.25 181.75 1nfr n PHE 79 N -3.30 0.00 -0.97 0.00 0.99 0.12 -5.02 117.46 109.29 1nfr n PHE 79 Ca -0.09 -0.35 0.00 0.00 -0.00 0.00 0.00 57.45 57.01 1nfr n PHE 79 Cb 1.00 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 39.45 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 -0.35 0.48 0.00 1.37 0.00 0.30 -4.92 105.19 102.08 1nfr n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.04 -1.43 3.37 -0.02 0.00 -1.17 -4.92 105.19 98.98 1nfr n GLY 81 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.00 -0.01 0.99 2.96 -1.26 -3.66 118.68 116.71 1nfr s LEU 82 Ca 0.00 1.13 0.06 0.00 -0.22 0.00 0.00 54.13 55.10 1nfr s LEU 82 Cb 0.00 1.88 -0.09 0.00 0.50 0.00 0.00 46.19 48.48 1nfr s LEU 82 CO 0.00 -0.24 0.14 1.41 -1.32 0.00 0.00 176.35 176.34 1nfr n HIS 83 N 5.42 0.00 -4.39 5.38 8.25 0.05 -4.94 115.22 124.99 1nfr n HIS 83 Ca -0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.17 1nfr n HIS 83 Cb 0.50 -0.13 -0.16 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.40 0.80 -0.11 1.59 1.01 -0.39 -0.51 120.40 120.39 1nfr s VAL 84 Ca -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1nfr s VAL 84 Cb 0.04 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1nfr s VAL 84 CO 0.25 0.26 -0.15 -0.22 0.00 0.00 0.00 175.10 175.24 1nfr s LEU 85 N 0.30 1.69 -0.43 3.92 2.96 -0.36 0.02 118.68 126.77 1nfr s LEU 85 Ca -0.05 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1nfr s LEU 85 Cb -0.10 -1.07 0.12 0.00 0.50 0.00 0.00 46.19 45.64 1nfr s LEU 85 CO 0.01 0.00 0.20 -0.69 -1.32 0.00 0.00 176.35 174.55 1nfr s VAL 86 N 1.05 3.06 -1.26 1.68 1.01 0.02 0.08 120.40 126.03 1nfr s VAL 86 Ca -0.05 -2.33 -0.19 0.00 0.00 0.00 0.00 61.98 59.40 1nfr s VAL 86 Cb -0.15 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1nfr s VAL 86 CO -0.02 -0.70 1.80 0.20 0.00 0.00 0.00 175.10 176.37 1nfr s ASN 87 N 1.32 6.28 -0.12 3.32 0.01 0.11 -2.14 114.94 123.73 1nfr s ASN 87 Ca 0.11 -2.21 0.19 0.00 -0.71 0.00 0.00 52.86 50.24 1nfr s ASN 87 Cb -0.22 -2.58 -0.27 0.00 0.41 0.00 0.00 41.25 38.59 1nfr s ASN 87 CO -0.05 -1.76 0.29 -3.20 -1.51 0.00 0.00 177.10 170.87 1nfr n ASN 88 N 10.24 0.09 -4.63 -1.22 2.85 -1.24 -1.92 115.26 119.43 1nfr n ASN 88 Ca 0.48 0.04 -0.48 0.00 -0.11 0.00 0.00 54.58 54.51 1nfr n ASN 88 Cb 0.46 1.24 -0.04 0.00 1.24 0.00 0.00 39.78 42.68 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 -2.55 0.22 -3.58 5.20 0.00 -1.01 -4.84 120.51 113.96 1nfr n ALA 89 Ca -0.21 0.46 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 1nfr n ALA 89 Cb 0.93 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 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 0.43 -0.37 0.21 0.00 0.00 -1.26 -4.75 107.32 101.59 1nfr s GLY 90 Ca 0.76 1.12 0.03 0.00 0.00 0.00 0.00 44.72 46.63 1nfr s GLY 90 CO 0.46 0.36 0.01 -0.26 0.00 0.00 0.00 173.10 173.67 1nfr s ILE 91 N -2.79 0.86 -0.06 0.90 -4.36 -1.26 -5.04 121.20 109.44 1nfr s ILE 91 Ca 0.08 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1nfr s ILE 91 Cb -0.00 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.45 1nfr s ILE 91 CO -0.06 -0.36 -0.05 -0.22 0.24 0.00 0.00 174.94 174.50 1nfr s LEU 92 N -3.26 1.18 0.07 0.37 2.96 -1.26 -4.95 118.68 113.80 1nfr s LEU 92 Ca 0.27 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1nfr s LEU 92 Cb 0.06 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 1nfr s LEU 92 CO 0.07 -0.08 -0.05 0.54 -1.32 0.00 0.00 176.35 175.51 1nfr s ASN 93 N 1.24 0.80 0.10 3.68 2.20 -1.26 -5.15 114.94 116.55 1nfr s ASN 93 Ca -0.06 -0.90 -0.01 0.00 -0.94 0.00 0.00 52.86 50.95 1nfr s ASN 93 Cb -0.14 0.12 -0.04 0.00 -2.00 0.00 0.00 41.25 39.20 1nfr s ASN 93 CO -0.02 -0.46 0.02 0.27 -2.94 0.00 0.00 177.10 173.97 1nfr s ILE 94 N -3.24 0.15 0.00 0.54 -4.36 -1.26 -4.59 121.20 108.44 1nfr s ILE 94 Ca 0.05 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1nfr s ILE 94 Cb 0.03 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.93 1nfr s ILE 94 CO -0.06 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.04 1nfr n GLY 95 N -0.01 3.67 3.59 6.27 0.00 -0.31 -4.86 105.19 113.55 1nfr n GLY 95 Ca -0.09 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.39 2.16 0.40 2.61 -4.23 -1.26 -4.23 115.64 109.71 1nfr s THR 96 Ca 0.00 0.05 0.15 0.00 -1.18 0.00 0.00 61.69 60.71 1nfr s THR 96 Cb 0.00 -2.27 0.36 0.00 1.34 0.00 0.00 72.50 71.93 1nfr s THR 96 CO 0.00 -0.07 1.87 0.40 -0.54 0.00 0.00 174.62 176.28 1nfr h ILE 97 N -2.19 0.74 0.10 2.99 2.04 -1.95 -0.42 117.51 118.82 1nfr h ILE 97 Ca -0.55 -0.16 -0.22 0.00 1.00 0.00 0.00 64.86 64.92 1nfr h ILE 97 Cb 1.31 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1nfr h ILE 97 CO 0.51 0.09 -1.09 -0.33 0.00 0.00 0.00 178.15 177.32 1nfr h GLU 98 N 0.48 0.20 0.00 2.37 3.07 -2.05 -3.38 114.58 115.28 1nfr h GLU 98 Ca 0.44 -0.35 -0.15 0.00 -0.50 0.00 0.00 59.36 58.80 1nfr h GLU 98 Cb 0.98 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 1nfr h GLU 98 CO -0.17 1.17 -0.70 0.38 -1.40 0.00 0.00 179.01 178.28 1nfr h ASP 99 N -0.47 0.00 -1.97 1.42 -0.00 -1.88 -3.46 116.42 110.06 1nfr h ASP 99 Ca -0.24 0.00 -0.63 0.00 -0.00 0.00 0.00 57.03 56.16 1nfr h ASP 99 Cb 1.60 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 40.96 1nfr h ASP 99 CO 0.05 0.70 0.98 0.00 -0.00 0.00 0.00 179.24 180.97 1nfr n TYR 100 N -3.41 2.23 -2.56 4.15 9.36 -0.18 -4.90 117.16 121.85 1nfr n TYR 100 Ca 0.00 0.16 -0.40 0.00 3.32 0.00 0.00 57.90 60.98 1nfr n TYR 100 Cb 0.77 -2.59 -0.05 0.00 -0.63 0.00 0.00 39.34 36.84 1nfr n TYR 100 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nfr s ALA 101 N 3.25 3.38 0.49 2.98 0.00 -1.26 -4.93 121.76 125.67 1nfr s ALA 101 Ca 0.91 0.80 0.23 0.00 0.00 0.00 0.00 51.96 53.90 1nfr s ALA 101 Cb -0.77 -3.30 1.42 0.00 0.00 0.00 0.00 23.12 20.47 1nfr s ALA 101 CO 0.51 -0.07 2.12 -0.07 0.00 0.00 0.00 175.76 178.25 1nfr h LEU 102 N 4.18 0.00 -0.86 0.00 3.38 -1.98 -1.09 115.31 118.94 1nfr h LEU 102 Ca -0.46 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 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 0.68 0.08 -0.43 0.71 0.09 0.00 0.00 178.44 179.58 1nfr h THR 103 N 0.00 1.32 -0.37 0.22 1.35 -2.00 -1.86 112.91 111.57 1nfr h THR 103 Ca -0.00 -1.58 -0.14 0.00 -0.55 0.00 0.00 66.41 64.14 1nfr h THR 103 Cb 0.18 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1nfr h THR 103 CO 0.01 0.48 -0.34 -0.33 -0.25 0.00 0.00 175.52 175.09 1nfr h GLU 104 N 0.25 0.84 0.05 4.72 5.08 -1.60 -1.39 114.58 122.53 1nfr h GLU 104 Ca 0.02 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1nfr h GLU 104 Cb 0.86 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1nfr h GLU 104 CO 0.07 1.05 -0.03 2.35 -1.00 0.00 0.00 179.01 181.45 1nfr h TRP 105 N 0.70 -0.07 -0.45 4.33 2.91 -1.21 -1.36 115.95 120.80 1nfr h TRP 105 Ca 0.07 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.08 1nfr h TRP 105 Cb 0.90 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.55 1nfr h TRP 105 CO 0.05 0.02 0.24 1.96 -1.03 0.00 0.00 178.44 179.68 1nfr h GLN 106 N -0.14 0.63 -0.37 2.65 1.08 -1.30 -2.11 115.11 115.56 1nfr h GLN 106 Ca -0.01 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1nfr h GLN 106 Cb 0.12 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 1nfr h GLN 106 CO 0.01 0.51 0.16 -0.09 -0.95 0.00 0.00 178.83 178.47 1nfr h ARG 107 N 0.59 0.33 0.00 1.46 9.65 -1.12 -0.48 114.38 124.82 1nfr h ARG 107 Ca 0.16 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.95 1nfr h ARG 107 Cb 0.06 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1nfr h ARG 107 CO -0.02 0.22 -0.30 0.97 2.80 0.00 0.00 179.97 183.63 1nfr h ILE 108 N 0.34 0.72 -0.17 1.20 2.10 -1.16 -2.09 117.51 118.45 1nfr h ILE 108 Ca 0.16 -1.33 -0.10 0.00 1.08 0.00 0.00 64.86 64.68 1nfr h ILE 108 Cb 0.10 1.86 -0.00 0.00 -1.09 0.00 0.00 36.82 37.69 1nfr h ILE 108 CO -0.14 0.30 -0.27 -0.07 -1.08 0.00 0.00 178.15 176.89 1nfr h LEU 109 N 0.00 0.53 0.08 2.19 4.07 -0.79 -0.59 115.31 120.80 1nfr h LEU 109 Ca -0.00 -0.53 -0.00 0.00 0.08 0.00 0.00 57.88 57.42 1nfr h LEU 109 Cb 0.83 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1nfr h LEU 109 CO 0.04 0.96 -0.04 0.44 -1.08 0.00 0.00 178.44 178.75 1nfr h ASP 110 N 0.12 -0.09 0.04 -0.43 3.32 -0.91 -0.05 116.42 118.41 1nfr h ASP 110 Ca 0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nfr h ASP 110 Cb 0.85 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1nfr h ASP 110 CO 0.06 -0.06 -0.02 0.58 -1.72 0.00 0.00 179.24 178.08 1nfr h VAL 111 N -0.12 1.33 -0.12 -1.35 2.07 -1.45 0.19 116.25 116.81 1nfr h VAL 111 Ca -0.01 -1.65 -0.20 0.00 0.82 0.00 0.00 66.70 65.65 1nfr h VAL 111 Cb 0.09 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1nfr h VAL 111 CO 0.02 0.39 -0.75 0.78 0.02 0.00 0.00 177.57 178.03 1nfr h ASN 112 N -0.84 0.71 0.00 0.57 4.21 -1.21 -3.23 115.58 115.79 1nfr h ASN 112 Ca -0.01 -0.46 -0.02 0.00 1.21 0.00 0.00 56.30 57.02 1nfr h ASN 112 Cb 0.68 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1nfr h ASN 112 CO 0.01 1.23 -0.88 -0.11 -1.29 0.00 0.00 177.43 176.39 1nfr n LEU 113 N -3.89 1.79 -0.31 1.61 7.94 -0.67 -4.29 117.00 119.17 1nfr n LEU 113 Ca -0.06 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1nfr n LEU 113 Cb 0.72 -0.67 0.18 0.00 0.53 0.00 0.00 43.42 44.19 1nfr n LEU 113 CO 0.50 -0.32 1.27 0.74 -1.11 0.00 0.00 177.39 178.47 1nfr h THR 114 N -0.82 1.19 -0.65 1.96 2.02 -0.98 -2.10 112.91 113.53 1nfr h THR 114 Ca -0.02 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 1nfr h THR 114 Cb 0.85 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1nfr h THR 114 CO -0.01 0.22 0.28 1.23 0.37 0.00 0.00 175.52 177.60 1nfr h GLY 115 N 1.18 1.01 0.89 2.16 0.00 -0.62 0.25 103.07 107.93 1nfr h GLY 115 Ca 0.35 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1nfr h GLY 115 CO -0.09 0.48 0.05 -2.08 0.00 0.00 0.00 176.54 174.89 1nfr h VAL 116 N 0.93 1.23 -0.84 4.60 2.07 -1.55 -1.64 116.25 121.05 1nfr h VAL 116 Ca 0.22 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1nfr h VAL 116 Cb 0.14 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1nfr h VAL 116 CO -0.02 0.26 0.55 0.15 0.02 0.00 0.00 177.57 178.53 1nfr h PHE 117 N 0.32 1.06 -0.50 1.57 3.57 -0.91 -2.02 116.94 120.04 1nfr h PHE 117 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1nfr h PHE 117 Cb 0.35 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1nfr h PHE 117 CO 0.02 0.67 0.05 -0.07 -2.23 0.00 0.00 178.31 176.75 1nfr h LEU 118 N 1.14 0.77 -0.62 0.59 3.38 -0.81 -1.95 115.31 117.81 1nfr h LEU 118 Ca 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1nfr h LEU 118 Cb -0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1nfr h LEU 118 CO -0.07 0.81 0.33 1.23 0.09 0.00 0.00 178.44 180.84 1nfr h GLY 119 N 0.97 0.93 0.96 0.83 0.00 -0.60 -1.99 103.07 104.17 1nfr h GLY 119 Ca 0.16 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1nfr h GLY 119 CO 0.01 0.41 0.15 -2.22 0.00 0.00 0.00 176.54 174.90 1nfr h ILE 120 N 0.85 1.22 -0.82 2.60 2.04 -1.10 -2.65 117.51 119.64 1nfr h ILE 120 Ca 0.22 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1nfr h ILE 120 Cb 0.06 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1nfr h ILE 120 CO -0.03 0.26 0.53 0.03 0.00 0.00 0.00 178.15 178.93 1nfr h ARG 121 N 0.59 1.00 0.00 2.37 3.08 -1.14 -2.72 114.38 117.56 1nfr h ARG 121 Ca 0.15 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1nfr h ARG 121 Cb 0.25 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1nfr h ARG 121 CO -0.01 0.66 -0.38 0.00 -1.07 0.00 0.00 179.97 179.17 1nfr h ALA 122 N 1.34 1.22 0.00 0.04 0.00 -1.18 -3.32 119.26 117.36 1nfr h ALA 122 Ca 0.32 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nfr h ALA 122 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nfr h ALA 122 CO -0.11 0.48 -1.22 1.33 0.00 0.00 0.00 179.25 179.73 1nfr n VAL 123 N -3.86 0.02 -0.12 0.00 0.24 -1.02 -4.57 118.33 109.02 1nfr n VAL 123 Ca -0.01 -0.14 -0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1nfr n VAL 123 Cb 0.44 0.66 0.26 0.00 -1.47 0.00 0.00 33.84 33.73 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 1.19 0.37 3.34 -1.51 -1.59 -3.22 116.25 114.83 1nfr h VAL 124 Ca 0.00 -0.56 -0.02 0.00 -1.23 0.00 0.00 66.70 64.89 1nfr h VAL 124 Cb 0.64 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 1nfr h VAL 124 CO 0.00 0.23 -0.18 0.50 -1.23 0.00 0.00 177.57 176.89 1nfr h LYS 125 N 0.79 -0.48 -1.79 5.19 3.64 -1.80 0.33 116.57 122.45 1nfr h LYS 125 Ca 0.20 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1nfr h LYS 125 Cb 0.11 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1nfr h LYS 125 CO -0.02 -0.27 0.00 -0.35 -2.27 0.00 0.00 179.45 176.54 1nfr n PRO 126 N -5.27 0.30 0.00 1.90 -0.04 -1.22 -2.26 135.00 128.41 1nfr n PRO 126 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1nfr n PRO 126 Cb 0.24 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.14 0.00 0.11 0.54 5.02 0.12 -3.42 118.16 121.66 1nfr n LYS 128 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1nfr n LYS 128 Cb 0.15 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.03 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 0.41 -0.01 1.97 5.08 -1.69 -3.17 114.58 117.17 1nfr h GLU 129 Ca 0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1nfr h GLU 129 Cb 0.00 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nfr h GLU 129 CO 0.00 1.28 -0.13 0.00 -1.00 0.00 0.00 179.01 179.17 1nfr n ALA 130 N -2.60 2.83 -2.94 3.43 0.00 -1.22 -4.93 120.51 115.08 1nfr n ALA 130 Ca -0.11 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 52.75 1nfr n ALA 130 Cb 1.01 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1nfr n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nfr n GLY 131 N 1.25 -0.50 3.57 0.00 0.00 -1.20 -4.93 105.19 103.39 1nfr n GLY 131 Ca 0.16 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1nfr n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nfr s ARG 132 N -5.57 0.77 -0.30 1.61 3.52 -1.25 -4.42 118.95 113.31 1nfr s ARG 132 Ca 0.23 0.95 -0.27 0.00 -0.13 0.00 0.00 55.73 56.50 1nfr s ARG 132 Cb -0.11 0.35 0.20 0.00 -1.56 0.00 0.00 34.95 33.83 1nfr s ARG 132 CO 0.28 -0.10 1.43 0.20 -0.81 0.00 0.00 175.30 176.31 1nfr s GLY 133 N 0.48 0.25 -0.16 8.12 0.00 -1.13 -4.71 107.32 110.16 1nfr s GLY 133 Ca -0.01 3.22 -0.00 0.00 0.00 0.00 0.00 44.72 47.93 1nfr s GLY 133 CO -0.01 1.47 -0.08 -0.45 0.00 0.00 0.00 173.10 174.04 1nfr s SER 134 N -0.58 2.83 -0.21 1.64 0.15 0.34 -0.03 113.70 117.83 1nfr s SER 134 Ca 0.09 -0.63 -0.06 0.00 0.70 0.00 0.00 55.95 56.05 1nfr s SER 134 Cb -0.03 -1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 63.25 1nfr s SER 134 CO -0.12 -0.15 0.04 -0.63 1.20 0.00 0.00 173.24 173.58 1nfr s ILE 135 N 1.58 4.26 -0.28 6.45 1.01 0.63 -1.23 121.20 133.61 1nfr s ILE 135 Ca 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1nfr s ILE 135 Cb -0.15 -2.95 0.06 0.00 0.01 0.00 0.00 42.46 39.44 1nfr s ILE 135 CO -0.08 0.40 -0.06 -0.63 0.00 0.00 0.00 174.94 174.57 1nfr s ILE 136 N 1.10 2.40 -0.14 2.92 1.01 0.11 -1.51 121.20 127.10 1nfr s ILE 136 Ca 0.03 -1.69 -0.14 0.00 0.00 0.00 0.00 60.65 58.86 1nfr s ILE 136 Cb -0.14 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1nfr s ILE 136 CO 0.02 -0.14 0.30 0.20 0.00 0.00 0.00 174.94 175.33 1nfr s ASN 137 N 1.13 6.48 -0.53 3.58 0.01 -0.15 -0.71 114.94 124.74 1nfr s ASN 137 Ca -0.05 0.56 -0.23 0.00 -0.71 0.00 0.00 52.86 52.43 1nfr s ASN 137 Cb -0.20 -2.19 0.04 0.00 0.41 0.00 0.00 41.25 39.32 1nfr s ASN 137 CO -0.04 0.13 0.84 -0.63 -1.51 0.00 0.00 177.10 175.89 1nfr s ILE 138 N 0.28 4.54 0.00 0.60 -1.09 -0.81 -1.00 121.20 123.72 1nfr s ILE 138 Ca 0.18 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1nfr s ILE 138 Cb -0.13 -4.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.29 1nfr s ILE 138 CO 0.05 -0.99 0.00 -0.24 -1.23 0.00 0.00 174.94 172.52 1nfr n SER 139 N 7.05 0.00 -3.62 3.58 2.88 0.77 -4.93 113.62 119.36 1nfr n SER 139 Ca -0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1nfr n SER 139 Cb 0.47 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.95 -0.05 0.08 -3.46 1.04 -1.22 -4.53 113.70 104.61 1nfr s SER 140 Ca 0.00 -0.12 0.16 0.00 0.48 0.00 0.00 55.95 56.47 1nfr s SER 140 Cb 0.00 0.14 0.67 0.00 0.10 0.00 0.00 66.02 66.93 1nfr s SER 140 CO 0.00 -0.26 1.49 2.30 0.98 0.00 0.00 173.24 177.75 1nfr n ILE 141 N -0.51 1.05 1.27 -1.02 -5.35 -1.05 -0.20 119.36 113.54 1nfr n ILE 141 Ca -0.08 0.28 0.13 0.00 -0.27 0.00 0.00 62.75 62.81 1nfr n ILE 141 Cb 0.63 -1.11 0.66 0.00 -1.74 0.00 0.00 39.64 38.08 1nfr n ILE 141 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1nfr n GLU 142 N -1.71 0.41 -0.31 6.28 4.71 -1.26 -1.60 120.64 127.17 1nfr n GLU 142 Ca 0.03 0.04 0.12 0.00 -0.01 0.00 0.00 57.16 57.33 1nfr n GLU 142 Cb 0.17 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.38 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 0.89 2.26 0.00 0.62 0.00 0.72 -4.23 105.19 105.44 1nfr n GLY 143 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.55 0.00 -4.03 0.99 4.77 -0.62 -4.49 117.00 115.17 1nfr n LEU 144 Ca 0.22 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1nfr n LEU 144 Cb 0.61 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1nfr n LEU 144 CO 0.16 0.00 0.04 0.00 -1.33 0.00 0.00 177.39 176.26 1nfr s ALA 145 N -1.94 0.12 0.47 -1.18 0.00 -0.84 -5.14 121.76 113.24 1nfr s ALA 145 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1nfr s ALA 145 Cb 0.00 1.08 0.01 0.00 0.00 0.00 0.00 23.12 24.21 1nfr s ALA 145 CO 0.00 -0.74 0.67 0.20 0.00 0.00 0.00 175.76 175.89 1nfr s GLY 146 N -3.03 1.72 -0.02 0.00 0.00 -1.26 -4.38 107.32 100.34 1nfr s GLY 146 Ca 0.24 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 1nfr s GLY 146 CO 0.07 -1.10 0.06 -1.59 0.00 0.00 0.00 173.10 170.54 1nfr s THR 147 N -2.55 -0.00 0.36 0.90 2.01 -1.26 -5.06 115.64 110.04 1nfr s THR 147 Ca 0.52 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.25 1nfr s THR 147 Cb -0.10 -0.09 -0.11 0.00 0.01 0.00 0.00 72.50 72.21 1nfr s THR 147 CO 0.36 0.00 1.50 0.52 -0.69 0.00 0.00 174.62 176.32 1nfr n VAL 148 N 3.09 1.82 -4.12 3.82 0.31 -1.26 -2.84 118.33 119.15 1nfr n VAL 148 Ca -0.13 -0.46 -0.34 0.00 -0.01 0.00 0.00 64.34 63.40 1nfr n VAL 148 Cb 0.59 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 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 0.73 -1.28 -2.73 3.52 0.00 -1.26 -4.85 120.51 114.64 1nfr n ALA 149 Ca 0.03 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 1nfr n ALA 149 Cb 0.38 -3.76 0.04 0.00 0.00 0.00 0.00 19.45 16.11 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 2.80 0.24 -0.60 0.00 -0.00 -1.81 -0.97 115.15 114.80 1nfr h HIS 151 Ca -0.12 -0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.15 1nfr h HIS 151 Cb 1.22 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 28.55 1nfr h HIS 151 CO 0.48 0.52 0.19 0.78 -0.00 0.00 0.00 177.93 179.91 1nfr h GLY 152 N -0.11 1.00 0.73 2.45 0.00 -1.93 -0.34 103.07 104.87 1nfr h GLY 152 Ca 0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1nfr h GLY 152 CO 0.01 0.55 -0.03 -1.82 0.00 0.00 0.00 176.54 175.25 1nfr h TYR 153 N 0.85 -0.07 -0.18 5.60 3.20 -1.81 -1.86 116.97 122.71 1nfr h TYR 153 Ca 0.19 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.09 1nfr h TYR 153 Cb 0.28 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1nfr h TYR 153 CO 0.02 0.21 0.02 1.15 -1.64 0.00 0.00 178.16 177.92 1nfr h THR 154 N -0.35 0.91 -0.02 1.81 2.02 -1.11 -0.76 112.91 115.41 1nfr h THR 154 Ca -0.01 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1nfr h THR 154 Cb 0.31 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1nfr h THR 154 CO 0.01 0.02 -0.12 0.00 0.37 0.00 0.00 175.52 175.80 1nfr h ALA 155 N 1.13 -0.12 -0.70 6.16 0.00 -1.05 -0.71 119.26 123.97 1nfr h ALA 155 Ca 0.08 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1nfr h ALA 155 Cb 0.08 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1nfr h ALA 155 CO -0.12 -0.60 0.16 1.79 0.00 0.00 0.00 179.25 180.48 1nfr h THR 156 N -0.19 1.26 -0.05 0.00 1.35 -1.20 0.86 112.91 114.95 1nfr h THR 156 Ca 0.05 -0.99 -0.08 0.00 -0.55 0.00 0.00 66.41 64.83 1nfr h THR 156 Cb 0.25 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 1nfr h THR 156 CO -0.13 0.38 -0.35 0.11 -0.25 0.00 0.00 175.52 175.28 1nfr h LYS 157 N 1.07 0.10 -0.16 4.72 1.79 -0.95 0.20 116.57 123.33 1nfr h LYS 157 Ca 0.22 -0.04 -0.22 0.00 -2.18 0.00 0.00 60.65 58.43 1nfr h LYS 157 Cb 0.39 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1nfr h LYS 157 CO 0.01 0.44 -0.76 0.74 -1.08 0.00 0.00 179.45 178.80 1nfr h PHE 158 N 0.09 1.06 -0.42 -1.35 -1.00 -0.78 -2.54 116.94 111.99 1nfr h PHE 158 Ca 0.01 -0.46 0.01 0.00 2.81 0.00 0.00 57.97 60.33 1nfr h PHE 158 Cb 0.67 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 1nfr h PHE 158 CO 0.00 1.29 0.28 0.00 -1.61 0.00 0.00 178.31 178.27 1nfr h ALA 159 N 0.58 0.53 -0.51 2.45 0.00 -0.10 -1.24 119.26 120.98 1nfr h ALA 159 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1nfr h ALA 159 Cb 1.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1nfr h ALA 159 CO 0.16 -0.02 0.24 0.28 0.00 0.00 0.00 179.25 179.91 1nfr h VAL 160 N 0.57 1.18 -0.45 0.00 2.07 -0.62 0.17 116.25 119.17 1nfr h VAL 160 Ca 0.16 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1nfr h VAL 160 Cb -0.06 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1nfr h VAL 160 CO -0.04 0.21 0.19 -0.09 0.02 0.00 0.00 177.57 177.86 1nfr h ARG 161 N 0.71 0.66 -0.17 1.57 2.43 -0.92 -1.82 114.38 116.84 1nfr h ARG 161 Ca 0.18 -0.11 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 1nfr h ARG 161 Cb 0.09 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1nfr h ARG 161 CO -0.02 0.58 -0.52 0.78 -1.51 0.00 0.00 179.97 179.28 1nfr h GLY 162 N 0.58 0.71 1.41 2.80 0.00 -0.56 -3.16 103.07 104.85 1nfr h GLY 162 Ca 0.15 -0.93 0.03 0.00 0.00 0.00 0.00 47.33 46.59 1nfr h GLY 162 CO -0.02 0.83 0.32 -2.00 0.00 0.00 0.00 176.54 175.67 1nfr h LEU 163 N 0.32 0.46 -0.75 3.11 5.85 -0.64 -1.52 115.31 122.13 1nfr h LEU 163 Ca -0.02 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1nfr h LEU 163 Cb 1.15 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1nfr h LEU 163 CO 0.11 0.31 0.47 0.74 -0.34 0.00 0.00 178.44 179.74 1nfr h THR 164 N 0.53 1.11 -0.08 1.05 2.02 -1.29 -1.64 112.91 114.61 1nfr h THR 164 Ca 0.19 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 1nfr h THR 164 Cb 0.12 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1nfr h THR 164 CO -0.05 0.17 -0.23 0.11 0.37 0.00 0.00 175.52 175.89 1nfr h LYS 165 N 0.93 0.29 -0.33 6.66 1.57 -1.33 -1.47 116.57 122.89 1nfr h LYS 165 Ca 0.30 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1nfr h LYS 165 Cb 0.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1nfr h LYS 165 CO -0.11 0.83 0.19 0.66 -0.57 0.00 0.00 179.45 180.44 1nfr h SER 166 N -0.19 0.29 -0.32 0.86 4.64 -1.32 -1.89 113.55 115.62 1nfr h SER 166 Ca -0.01 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1nfr h SER 166 Cb 0.84 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 1nfr h SER 166 CO 0.05 0.21 -0.23 0.71 -0.87 0.00 0.00 176.83 176.70 1nfr h THR 167 N 0.38 1.27 -0.60 2.95 1.35 -1.37 -2.77 112.91 114.13 1nfr h THR 167 Ca 0.13 -1.36 0.01 0.00 -0.55 0.00 0.00 66.41 64.65 1nfr h THR 167 Cb 0.02 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.61 1nfr h THR 167 CO -0.07 0.46 0.39 0.00 -0.25 0.00 0.00 175.52 176.05 1nfr h ALA 168 N 1.03 0.76 -0.68 6.62 0.00 -0.96 0.98 119.26 127.01 1nfr h ALA 168 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nfr h ALA 168 Cb 0.76 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1nfr h ALA 168 CO 0.06 0.18 0.38 -0.07 0.00 0.00 0.00 179.25 179.80 1nfr h LEU 169 N 0.80 0.85 -0.64 0.00 3.38 -1.26 -0.62 115.31 117.82 1nfr h LEU 169 Ca 0.22 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1nfr h LEU 169 Cb -0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1nfr h LEU 169 CO -0.05 0.70 -0.59 -0.08 0.09 0.00 0.00 178.44 178.50 1nfr h GLU 170 N 0.94 0.28 0.00 1.13 4.81 -1.15 -3.27 114.58 117.31 1nfr h GLU 170 Ca 0.24 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1nfr h GLU 170 Cb 0.03 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1nfr h GLU 170 CO -0.04 0.79 -0.85 1.28 -0.73 0.00 0.00 179.01 179.46 1nfr n LEU 171 N -3.89 0.66 -0.12 1.64 4.77 0.30 -4.36 117.00 116.00 1nfr n LEU 171 Ca -0.02 0.12 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1nfr n LEU 171 Cb 0.61 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1nfr n LEU 171 CO 0.45 -0.02 0.75 1.23 -1.33 0.00 0.00 177.39 178.47 1nfr h GLY 172 N 4.49 0.18 0.94 -0.72 0.00 -1.14 0.09 103.07 106.90 1nfr h GLY 172 Ca 0.00 0.20 0.10 0.00 0.00 0.00 0.00 47.33 47.63 1nfr h GLY 172 CO 0.00 -0.18 0.44 -2.55 0.00 0.00 0.00 176.54 174.25 1nfr h PRO 173 N -0.08 0.00 -0.03 4.80 0.11 -1.78 0.53 132.00 135.55 1nfr h PRO 173 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1nfr h PRO 173 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1nfr h PRO 173 CO -0.45 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.77 1nfr n SER 174 N -3.52 1.72 0.00 -2.05 7.64 -0.01 -4.92 113.62 112.47 1nfr n SER 174 Ca 0.06 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.35 1nfr n SER 174 Cb 0.59 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 1.20 0.49 3.43 0.23 0.00 0.19 -3.81 105.19 106.92 1nfr n GLY 175 Ca 0.18 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 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 4.26 0.10 -0.61 1.01 -1.00 -2.85 121.20 120.12 1nfr s ILE 176 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 1nfr s ILE 176 Cb 0.00 -3.01 -0.06 0.00 0.01 0.00 0.00 42.46 39.40 1nfr s ILE 176 CO 0.00 0.32 0.50 -0.13 0.00 0.00 0.00 174.94 175.63 1nfr s ARG 177 N 1.60 3.94 -0.07 2.79 0.52 0.96 -3.46 118.95 125.23 1nfr s ARG 177 Ca 0.06 0.43 -0.01 0.00 -0.52 0.00 0.00 55.73 55.70 1nfr s ARG 177 Cb -0.15 -3.03 0.03 0.00 0.52 0.00 0.00 34.95 32.32 1nfr s ARG 177 CO 0.03 0.55 -0.01 0.08 0.02 0.00 0.00 175.30 175.97 1nfr s VAL 178 N -1.35 0.47 0.15 3.52 1.01 -1.26 -0.27 120.40 122.67 1nfr s VAL 178 Ca 0.33 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1nfr s VAL 178 Cb -0.16 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1nfr s VAL 178 CO 0.18 0.27 -0.03 0.20 0.00 0.00 0.00 175.10 175.72 1nfr s ASN 179 N 1.82 1.27 0.05 3.32 0.01 -0.57 0.17 114.94 121.01 1nfr s ASN 179 Ca 0.03 -1.11 0.09 0.00 -0.71 0.00 0.00 52.86 51.15 1nfr s ASN 179 Cb -0.12 0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.60 1nfr s ASN 179 CO -0.05 -0.52 -0.24 -0.94 -1.51 0.00 0.00 177.10 173.84 1nfr s SER 180 N -3.14 3.33 -0.08 -1.22 1.04 -0.78 -0.98 113.70 111.87 1nfr s SER 180 Ca 0.20 -0.55 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 1nfr s SER 180 Cb 0.05 -0.37 -0.03 0.00 0.10 0.00 0.00 66.02 65.77 1nfr s SER 180 CO 0.01 0.26 -0.04 -0.63 0.98 0.00 0.00 173.24 173.82 1nfr s ILE 181 N -0.84 3.95 -0.43 -1.02 1.01 -0.17 -0.93 121.20 122.76 1nfr s ILE 181 Ca 0.12 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1nfr s ILE 181 Cb -0.10 -2.64 0.13 0.00 0.01 0.00 0.00 42.46 39.87 1nfr s ILE 181 CO 0.03 0.60 0.23 -1.00 0.00 0.00 0.00 174.94 174.80 1nfr s HIS 182 N -0.77 1.94 0.47 3.97 3.76 0.20 -0.16 115.29 124.70 1nfr s HIS 182 Ca 0.12 -2.39 -0.02 0.00 -0.15 0.00 0.00 55.06 52.62 1nfr s HIS 182 Cb -0.11 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 1nfr s HIS 182 CO 0.02 -0.79 0.73 -1.25 -0.85 0.00 0.00 174.74 172.60 1nfr s PRO 183 N 0.40 3.16 0.00 8.40 0.04 -1.26 -1.56 135.00 144.18 1nfr s PRO 183 Ca 0.17 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1nfr s PRO 183 Cb -0.24 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1nfr s PRO 183 CO 0.00 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1nfr n GLY 184 N -2.18 1.48 3.69 0.56 0.00 -0.84 -2.52 105.19 105.37 1nfr n GLY 184 Ca 0.01 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 4.33 -0.08 0.99 2.96 -1.26 -4.94 118.68 120.68 1nfr s LEU 185 Ca 0.00 2.26 0.04 0.00 -0.22 0.00 0.00 54.13 56.20 1nfr s LEU 185 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1nfr s LEU 185 CO 0.00 -0.80 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.34 1nfr s VAL 186 N 2.67 1.67 -0.73 1.68 1.01 -1.26 -0.68 120.40 124.76 1nfr s VAL 186 Ca 0.68 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 1nfr s VAL 186 Cb -0.35 -1.46 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 1nfr s VAL 186 CO 0.29 0.47 2.18 -0.54 0.00 0.00 0.00 175.10 177.50 1nfr s LYS 187 N 0.39 2.16 0.24 2.72 1.02 -0.43 -4.70 119.74 121.14 1nfr s LYS 187 Ca -0.15 0.47 -0.02 0.00 0.02 0.00 0.00 55.97 56.29 1nfr s LYS 187 Cb -0.16 -4.75 -0.03 0.00 -0.52 0.00 0.00 37.83 32.37 1nfr s LYS 187 CO 0.06 -3.60 0.25 0.95 -0.92 0.00 0.00 175.35 172.09 1nfr s THR 188 N 11.90 0.00 -0.11 2.17 -4.23 -1.26 -4.53 115.64 119.58 1nfr s THR 188 Ca 0.83 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 1nfr s THR 188 Cb -0.12 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 1nfr s THR 188 CO 0.11 0.00 1.36 -0.81 -0.54 0.00 0.00 174.62 174.74 1nfr n PRO 189 N -0.37 0.63 0.00 3.99 -0.04 -1.26 -2.48 135.00 135.47 1nfr n PRO 189 Ca 0.02 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1nfr n PRO 189 Cb 0.64 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 3.34 0.00 0.84 0.52 -2.24 -1.26 -4.83 114.28 110.65 1nfr n THR 191 Ca 0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 1nfr n THR 191 Cb 0.19 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 68.85 1nfr n THR 191 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nfr n ASP 192 N 0.15 0.00 -0.42 3.42 5.68 -1.04 -1.50 116.55 122.84 1nfr n ASP 192 Ca 0.00 -0.11 0.11 0.00 -0.50 0.00 0.00 54.79 54.29 1nfr n ASP 192 Cb 0.00 -0.20 -0.01 0.00 -1.14 0.00 0.00 41.12 39.77 1nfr n ASP 192 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nfr n TRP 193 N -1.20 0.00 -3.59 2.11 4.27 -1.26 -4.92 117.44 112.84 1nfr n TRP 193 Ca 0.09 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.34 1nfr n TRP 193 Cb 0.11 -0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 29.98 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 -2.55 5.32 0.33 -1.67 1.01 -0.57 -5.04 120.40 117.23 1nfr s VAL 194 Ca 0.17 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 1nfr s VAL 194 Cb 0.18 -3.59 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 1nfr s VAL 194 CO 0.61 0.43 1.54 -0.81 0.00 0.00 0.00 175.10 176.87 1nfr n PRO 195 N 3.34 2.68 0.30 2.72 -0.04 -1.26 -4.84 135.00 137.89 1nfr n PRO 195 Ca -0.13 0.94 0.18 0.00 -0.04 0.00 0.00 63.50 64.45 1nfr n PRO 195 Cb 0.52 -2.70 1.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 3.85 0.00 -0.67 0.54 5.08 -1.96 -1.93 114.58 119.50 1nfr h GLU 196 Ca -0.49 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.63 1nfr h GLU 196 Cb 1.23 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.34 1nfr h GLU 196 CO 0.72 0.00 0.26 -0.40 -1.00 0.00 0.00 179.01 178.58 1nfr n ASP 197 N -3.57 4.12 0.25 1.42 5.75 -1.26 -4.00 116.55 119.26 1nfr n ASP 197 Ca -0.02 -3.37 0.09 0.00 -0.01 0.00 0.00 54.79 51.47 1nfr n ASP 197 Cb 0.13 -0.72 0.65 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.96 0.89 -2.95 2.12 2.10 -1.71 -3.42 117.51 116.50 1nfr h ILE 198 Ca 0.30 -0.36 -0.63 0.00 1.08 0.00 0.00 64.86 65.25 1nfr h ILE 198 Cb 2.23 1.21 -0.06 0.00 -1.09 0.00 0.00 36.82 39.11 1nfr h ILE 198 CO 0.70 0.10 -0.52 -0.36 -1.08 0.00 0.00 178.15 176.98 1nfr s PHE 199 N -4.65 3.44 -0.60 2.19 2.99 -1.26 -5.05 117.98 115.04 1nfr s PHE 199 Ca -0.04 0.25 -0.26 0.00 0.00 0.00 0.00 56.93 56.88 1nfr s PHE 199 Cb 0.15 -1.75 0.04 0.00 0.00 0.00 0.00 43.02 41.46 1nfr s PHE 199 CO 0.64 0.59 1.07 -0.65 -0.00 0.00 0.00 175.22 176.88 1nfr s GLN 200 N -2.21 3.34 0.27 0.44 -0.21 -1.26 -4.98 119.66 115.04 1nfr s GLN 200 Ca 0.30 -0.18 0.09 0.00 0.02 0.00 0.00 55.36 55.60 1nfr s GLN 200 Cb -0.13 -4.08 -0.04 0.00 1.00 0.00 0.00 33.01 29.76 1nfr s GLN 200 CO 0.22 -1.69 0.01 0.95 -2.12 0.00 0.00 175.29 172.66 1nfr s THR 201 N 4.55 3.52 0.06 -0.19 -4.23 -1.26 -3.81 115.64 114.28 1nfr s THR 201 Ca 0.34 -1.88 0.08 0.00 -1.18 0.00 0.00 61.69 59.06 1nfr s THR 201 Cb -0.11 -2.89 -0.22 0.00 1.34 0.00 0.00 72.50 70.63 1nfr s THR 201 CO 0.19 -0.37 1.04 0.00 -0.54 0.00 0.00 174.62 174.94 1nfr h ALA 202 N 1.86 0.49 0.00 3.99 0.00 -0.97 -3.31 119.26 121.33 1nfr h ALA 202 Ca -0.44 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.35 1nfr h ALA 202 Cb 1.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1nfr h ALA 202 CO 0.60 1.36 0.00 -0.07 0.00 0.00 0.00 179.25 181.15 1nfr h LEU 203 N 0.00 0.00 0.83 0.00 3.38 -1.87 -3.48 115.31 114.18 1nfr h LEU 203 Ca -0.12 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.64 1nfr h LEU 203 Cb 1.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.63 1nfr h LEU 203 CO 0.11 0.00 -0.30 0.61 0.09 0.00 0.00 178.44 178.95 1nfr n GLY 204 N 0.83 -0.01 3.73 0.83 0.00 -1.25 -5.01 105.19 104.32 1nfr n GLY 204 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.88 1.24 0.50 1.61 1.70 -1.26 -5.06 118.95 112.81 1nfr s ARG 205 Ca 0.09 -0.66 -0.01 0.00 -0.47 0.00 0.00 55.73 54.67 1nfr s ARG 205 Cb -0.04 0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.79 1nfr s ARG 205 CO 0.11 -0.57 0.75 0.00 -1.08 0.00 0.00 175.30 174.51 1nfr s ALA 206 N -3.37 3.65 0.15 7.88 0.00 -1.26 -4.95 121.76 123.86 1nfr s ALA 206 Ca 0.11 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 1nfr s ALA 206 Cb -0.02 -2.26 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 1nfr s ALA 206 CO 0.01 -0.55 0.50 0.00 0.00 0.00 0.00 175.76 175.73 1nfr s ALA 207 N -2.70 3.62 0.14 0.00 0.00 0.15 -4.94 121.76 118.02 1nfr s ALA 207 Ca 0.51 -0.25 -0.24 0.00 0.00 0.00 0.00 51.96 51.98 1nfr s ALA 207 Cb -0.10 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.53 1nfr s ALA 207 CO 0.40 0.51 0.73 -1.21 0.00 0.00 0.00 175.76 176.19 1nfr s GLU 208 N -2.21 4.49 0.58 0.00 0.41 -1.26 -1.32 118.70 119.39 1nfr s GLU 208 Ca 0.39 1.06 0.29 0.00 -0.41 0.00 0.00 54.97 56.30 1nfr s GLU 208 Cb -0.14 -3.27 1.50 0.00 -1.78 0.00 0.00 34.13 30.45 1nfr s GLU 208 CO 0.20 0.56 1.93 -1.00 -0.49 0.00 0.00 175.26 176.46 1nfr h PRO 209 N 4.48 0.00 0.00 0.39 0.13 -1.94 0.10 132.00 135.16 1nfr h PRO 209 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1nfr h PRO 209 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1nfr h PRO 209 CO 0.66 0.00 -0.27 -0.24 -0.23 0.00 0.00 178.00 177.92 1nfr h VAL 210 N 0.00 0.97 0.00 1.56 3.04 -1.94 -1.89 116.25 117.98 1nfr h VAL 210 Ca 0.21 -1.00 -0.04 0.00 -1.01 0.00 0.00 66.70 64.86 1nfr h VAL 210 Cb 1.09 1.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.94 1nfr h VAL 210 CO -0.00 0.26 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.32 1nfr h GLU 211 N 0.00 0.00 0.07 4.17 5.08 -1.35 0.10 114.58 122.65 1nfr h GLU 211 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1nfr h GLU 211 Cb 0.55 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1nfr h GLU 211 CO 0.03 0.17 -1.67 0.28 -1.00 0.00 0.00 179.01 176.82 1nfr h VAL 212 N 0.00 0.96 -0.82 3.13 2.07 -1.51 -3.32 116.25 116.76 1nfr h VAL 212 Ca -0.00 -2.69 -0.00 0.00 0.82 0.00 0.00 66.70 64.82 1nfr h VAL 212 Cb 0.40 2.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 1nfr h VAL 212 CO 0.02 0.73 0.49 0.28 0.02 0.00 0.00 177.57 179.12 1nfr h SER 213 N 0.04 0.97 -0.33 0.57 0.02 -0.58 -0.58 113.55 113.67 1nfr h SER 213 Ca -0.29 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1nfr h SER 213 Cb 2.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 64.28 1nfr h SER 213 CO 0.11 0.75 0.22 0.78 -1.14 0.00 0.00 176.83 177.55 1nfr h ASN 214 N 1.12 0.38 0.12 3.07 2.35 -0.93 -0.16 115.58 121.54 1nfr h ASN 214 Ca 0.29 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.83 1nfr h ASN 214 Cb -0.05 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1nfr h ASN 214 CO -0.06 0.28 -0.80 0.25 -1.65 0.00 0.00 177.43 175.45 1nfr h LEU 215 N 0.45 0.67 -0.73 1.61 5.85 -1.25 -2.04 115.31 119.87 1nfr h LEU 215 Ca 0.12 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1nfr h LEU 215 Cb -0.05 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1nfr h LEU 215 CO -0.03 1.23 0.28 0.58 -0.34 0.00 0.00 178.44 180.16 1nfr h VAL 216 N 0.37 1.25 -0.34 1.05 2.07 -0.29 -1.49 116.25 118.87 1nfr h VAL 216 Ca -0.05 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1nfr h VAL 216 Cb 1.40 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1nfr h VAL 216 CO 0.15 0.32 0.13 0.58 0.02 0.00 0.00 177.57 178.77 1nfr h VAL 217 N 1.05 1.19 -0.23 2.57 2.07 -1.01 0.91 116.25 122.79 1nfr h VAL 217 Ca 0.24 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1nfr h VAL 217 Cb 0.23 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1nfr h VAL 217 CO -0.02 0.21 0.10 0.22 0.02 0.00 0.00 177.57 178.10 1nfr h TYR 218 N 0.40 0.18 0.00 1.57 3.20 -1.09 0.27 116.97 121.50 1nfr h TYR 218 Ca 0.11 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1nfr h TYR 218 Cb 0.20 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1nfr h TYR 218 CO -0.00 0.10 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.22 1nfr h LEU 219 N 0.22 0.00 -0.43 2.82 3.38 -1.12 -2.69 115.31 117.49 1nfr h LEU 219 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1nfr h LEU 219 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1nfr h LEU 219 CO -0.08 0.32 -0.76 0.00 0.09 0.00 0.00 178.44 178.01 1nfr h ALA 220 N 1.68 0.71 -2.46 1.53 0.00 -0.23 -3.46 119.26 117.03 1nfr h ALA 220 Ca -0.00 -0.70 -0.48 0.00 0.00 0.00 0.00 54.91 53.74 1nfr h ALA 220 Cb 0.61 -0.12 0.12 0.00 0.00 0.00 0.00 17.79 18.39 1nfr h ALA 220 CO 0.04 0.96 0.33 -1.54 0.00 0.00 0.00 179.25 179.04 1nfr s SER 221 N -6.76 4.16 0.00 0.00 1.04 0.03 -4.89 113.70 107.28 1nfr s SER 221 Ca -0.00 1.12 0.28 0.00 0.48 0.00 0.00 55.95 57.82 1nfr s SER 221 Cb 0.11 -1.78 1.32 0.00 0.10 0.00 0.00 66.02 65.77 1nfr s SER 221 CO 0.78 -2.16 1.93 0.47 0.98 0.00 0.00 173.24 175.25 1nfr n ASP 222 N -3.53 0.00 0.00 7.02 8.00 -1.26 -3.23 116.55 123.55 1nfr n ASP 222 Ca 0.07 0.13 0.07 0.00 0.71 0.00 0.00 54.79 55.77 1nfr n ASP 222 Cb 0.58 -0.37 0.40 0.00 -0.02 0.00 0.00 41.12 41.71 1nfr n ASP 222 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nfr n GLU 223 N -1.37 0.35 -0.29 -1.24 1.02 -1.26 -1.68 120.64 116.17 1nfr n GLU 223 Ca 0.11 0.06 0.08 0.00 -0.02 0.00 0.00 57.16 57.39 1nfr n GLU 223 Cb 0.26 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.32 1nfr n GLU 223 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1nfr n SER 224 N -1.12 1.94 0.02 1.62 3.41 -1.20 -4.86 113.62 113.43 1nfr n SER 224 Ca 0.09 -3.17 0.22 0.00 -0.26 0.00 0.00 58.87 55.76 1nfr n SER 224 Cb 0.07 -0.43 0.65 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.29 0.00 -0.52 4.04 4.64 -1.54 -0.87 113.55 119.59 1nfr h SER 225 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1nfr h SER 225 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1nfr h SER 225 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1nfr n TYR 226 N -3.50 0.69 -3.80 4.77 9.36 -1.26 -4.91 117.16 118.50 1nfr n TYR 226 Ca 0.11 -0.50 -0.36 0.00 3.32 0.00 0.00 57.90 60.48 1nfr n TYR 226 Cb 0.89 -0.02 -0.12 0.00 -0.63 0.00 0.00 39.34 39.46 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 -1.00 5.12 -0.13 2.98 0.01 -0.33 -5.08 113.70 115.27 1nfr s SER 227 Ca 0.35 -0.19 -0.20 0.00 1.31 0.00 0.00 55.95 57.21 1nfr s SER 227 Cb 0.18 -1.91 0.05 0.00 0.21 0.00 0.00 66.02 64.55 1nfr s SER 227 CO 0.24 -0.01 0.51 0.28 0.41 0.00 0.00 173.24 174.66 1nfr s THR 228 N 1.49 0.01 -0.42 1.44 -1.32 -1.26 -4.70 115.64 110.88 1nfr s THR 228 Ca 0.06 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1nfr s THR 228 Cb -0.15 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1nfr s THR 228 CO 0.03 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1nfr n GLY 229 N 2.09 0.63 3.87 6.08 0.00 0.46 -4.93 105.19 113.39 1nfr n GLY 229 Ca -0.16 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.90 3.70 -0.27 4.61 0.00 -1.26 -4.68 121.76 121.96 1nfr s ALA 230 Ca 0.00 -1.36 -0.10 0.00 0.00 0.00 0.00 51.96 50.50 1nfr s ALA 230 Cb 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 1nfr s ALA 230 CO 0.00 0.25 0.16 -1.21 0.00 0.00 0.00 175.76 174.96 1nfr s GLU 231 N -3.89 3.90 -0.38 0.00 2.02 -1.26 -1.86 118.70 117.23 1nfr s GLU 231 Ca 0.33 -0.35 -0.08 0.00 0.02 0.00 0.00 54.97 54.90 1nfr s GLU 231 Cb -0.08 -3.59 0.06 0.00 0.10 0.00 0.00 34.13 30.62 1nfr s GLU 231 CO 0.26 -0.17 0.18 -0.06 0.02 0.00 0.00 175.26 175.50 1nfr s PHE 232 N 1.70 3.31 -0.13 1.61 0.40 -0.11 -5.00 117.98 119.76 1nfr s PHE 232 Ca 0.07 -1.49 -0.17 0.00 -0.60 0.00 0.00 56.93 54.73 1nfr s PHE 232 Cb -0.16 -2.63 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 1nfr s PHE 232 CO 0.09 -0.79 0.45 0.08 0.70 0.00 0.00 175.22 175.75 1nfr s VAL 233 N 1.41 5.21 -0.45 -0.44 1.01 -1.26 -0.63 120.40 125.24 1nfr s VAL 233 Ca 0.01 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.92 1nfr s VAL 233 Cb -0.21 -3.79 0.17 0.00 0.00 0.00 0.00 36.38 32.55 1nfr s VAL 233 CO 0.02 0.33 0.37 0.55 0.00 0.00 0.00 175.10 176.38 1nfr n VAL 234 N 3.67 -0.79 -1.23 2.92 3.14 -0.60 -4.92 118.33 120.52 1nfr n VAL 234 Ca -0.08 -3.65 0.03 0.00 -2.96 0.00 0.00 64.34 57.69 1nfr n VAL 234 Cb 0.52 -1.74 0.05 0.00 -1.06 0.00 0.00 33.84 31.61 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 2.66 1.08 -0.87 6.55 5.75 -1.26 -1.99 116.55 128.47 1nfr n ASP 235 Ca 0.28 -2.20 -0.11 0.00 -0.01 0.00 0.00 54.79 52.75 1nfr n ASP 235 Cb 0.46 -0.21 -0.05 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.55 1.15 0.00 6.12 0.00 -1.26 -2.97 105.19 107.69 1nfr n GLY 236 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.40 0.42 0.30 -0.02 0.00 -1.26 -0.38 105.19 103.85 1nfr n GLY 237 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 0.30 0.00 2.61 2.02 -1.63 -2.09 112.91 114.12 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 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 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 -5.40 0.32 1.16 3.16 0.24 -1.26 -2.76 118.33 113.78 1nfr n VAL 239 Ca 0.01 0.08 0.14 0.00 -2.04 0.00 0.00 64.34 62.52 1nfr n VAL 239 Cb 0.32 -0.67 0.54 0.00 -1.47 0.00 0.00 33.84 32.55 1nfr n VAL 239 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nfr n ALA 240 N -1.44 2.77 -2.60 2.33 0.00 -0.79 -4.88 120.51 115.91 1nfr n ALA 240 Ca 0.07 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 1nfr n ALA 240 Cb 0.26 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 1nfr n ALA 240 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nfr s GLY 241 N -2.81 2.49 -0.06 0.00 0.00 -1.11 -5.13 107.32 100.70 1nfr s GLY 241 Ca 0.19 -2.25 -0.11 0.00 0.00 0.00 0.00 44.72 42.55 1nfr s GLY 241 CO 0.55 -2.08 0.27 1.08 0.00 0.00 0.00 173.10 172.93 1nfr s LEU 242 N -3.74 4.43 -0.12 0.66 1.43 -1.26 -5.02 118.68 115.06 1nfr s LEU 242 Ca 0.35 0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 53.87 1nfr s LEU 242 Cb 0.09 -2.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.92 1nfr s LEU 242 CO 0.18 0.36 1.97 0.00 0.23 0.00 0.00 176.35 179.10 1nfr s ALA 243 N -1.06 3.19 0.35 4.21 0.00 -1.26 -4.99 121.76 122.20 1nfr s ALA 243 Ca 0.20 0.91 0.08 0.00 0.00 0.00 0.00 51.96 53.15 1nfr s ALA 243 Cb -0.14 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 1nfr s ALA 243 CO 0.09 -2.11 0.12 -1.01 0.00 0.00 0.00 175.76 172.85 1nfr s HIS 244 N 6.04 2.67 -2.48 0.00 0.09 -1.26 -5.26 115.29 115.09 1nfr s HIS 244 Ca 0.88 -0.41 0.20 0.00 -0.00 0.00 0.00 55.06 55.73 1nfr s HIS 244 Cb -0.35 -1.64 0.16 0.00 -0.00 0.00 0.00 32.58 30.75 1nfr s HIS 244 CO 0.36 0.35 1.13 0.09 -0.00 0.00 0.00 174.74 176.67