#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 5.96 0.17 5.00 0.00 -1.25 -3.50 105.19 111.57 1nfr n GLY 3 Ca 0.00 -2.65 0.13 0.00 0.00 0.00 0.00 46.02 43.50 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 2.56 0.00 0.00 1.61 3.08 -1.81 -2.74 114.38 117.08 1nfr h ARG 4 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1nfr h ARG 4 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1nfr h ARG 4 CO 1.03 0.00 -0.06 1.28 -1.07 0.00 0.00 179.97 181.15 1nfr n LEU 5 N -2.38 1.25 -4.58 3.04 4.77 0.01 -4.71 117.00 114.40 1nfr n LEU 5 Ca 0.00 -1.49 -0.49 0.00 -0.03 0.00 0.00 56.01 54.00 1nfr n LEU 5 Cb 0.15 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1nfr n LEU 5 CO 0.17 0.36 0.77 0.41 -1.33 0.00 0.00 177.39 177.77 1nfr n THR 6 N -0.45 0.69 -0.26 -5.08 -1.04 -1.04 -0.86 114.28 106.23 1nfr n THR 6 Ca 0.03 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1nfr n THR 6 Cb 0.44 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 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 2.14 1.78 3.92 3.41 0.00 -1.25 -4.97 105.19 110.21 1nfr n GLY 7 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.25 3.44 -0.14 1.61 1.02 -0.04 -5.01 119.74 120.38 1nfr s LYS 8 Ca 0.00 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1nfr s LYS 8 Cb 0.00 -3.04 -0.00 0.00 -0.52 0.00 0.00 37.83 34.26 1nfr s LYS 8 CO 0.00 0.62 -0.17 0.08 -0.92 0.00 0.00 175.35 174.95 1nfr s VAL 9 N -1.49 2.57 0.17 3.17 1.01 -1.26 -1.38 120.40 123.19 1nfr s VAL 9 Ca 0.34 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.60 1nfr s VAL 9 Cb -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1nfr s VAL 9 CO 0.27 0.53 -0.20 0.00 0.00 0.00 0.00 175.10 175.70 1nfr s ALA 10 N 0.61 2.16 -0.14 5.51 0.00 -0.25 -0.70 121.76 128.95 1nfr s ALA 10 Ca -0.10 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.34 1nfr s ALA 10 Cb -0.16 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1nfr s ALA 10 CO 0.03 0.29 -0.15 -1.17 0.00 0.00 0.00 175.76 174.77 1nfr s LEU 11 N -2.66 1.70 -0.20 0.00 2.96 0.48 -0.81 118.68 120.14 1nfr s LEU 11 Ca 0.17 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1nfr s LEU 11 Cb -0.06 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.48 1nfr s LEU 11 CO 0.08 -0.04 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.22 1nfr s VAL 12 N 1.38 2.30 0.24 1.68 1.01 -0.40 -0.81 120.40 125.81 1nfr s VAL 12 Ca 0.03 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1nfr s VAL 12 Cb -0.13 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 1nfr s VAL 12 CO -0.09 0.44 0.63 -0.94 0.00 0.00 0.00 175.10 175.15 1nfr s SER 13 N 1.30 6.78 -1.22 3.32 1.04 -1.06 -0.78 113.70 123.09 1nfr s SER 13 Ca 0.03 1.15 -0.06 0.00 0.48 0.00 0.00 55.95 57.55 1nfr s SER 13 Cb -0.14 -2.32 0.01 0.00 0.10 0.00 0.00 66.02 63.67 1nfr s SER 13 CO -0.10 -0.06 0.83 0.61 0.98 0.00 0.00 173.24 175.50 1nfr n GLY 14 N 0.14 -0.33 1.09 7.32 0.00 0.76 -1.91 105.19 112.26 1nfr n GLY 14 Ca -0.00 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.66 1.75 0.22 -0.02 0.00 -1.06 -3.88 105.19 100.55 1nfr n GLY 15 Ca -0.03 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 4.11 0.95 -2.51 4.61 0.00 -1.89 -3.01 119.26 121.51 1nfr h ALA 16 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1nfr h ALA 16 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1nfr h ALA 16 CO 0.00 0.22 0.12 2.89 0.00 0.00 0.00 179.25 182.48 1nfr n ARG 17 N -3.23 0.53 0.00 0.00 1.85 -1.26 -4.56 116.66 109.99 1nfr n ARG 17 Ca 0.01 -1.08 0.00 0.00 -1.00 0.00 0.00 57.85 55.78 1nfr n ARG 17 Cb 0.48 1.33 0.00 0.00 -1.05 0.00 0.00 32.46 33.22 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 -0.26 -0.13 2.86 2.89 0.00 -1.26 -1.97 105.19 107.32 1nfr n GLY 18 Ca -0.04 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.30 -0.02 0.00 -1.25 -2.54 105.19 101.68 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 1.00 -0.89 4.61 0.00 -1.26 -0.32 119.26 122.42 1nfr h ALA 21 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nfr h ALA 21 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1nfr h ALA 21 CO 0.00 0.30 0.52 1.03 0.00 0.00 0.00 179.25 181.10 1nfr h SER 22 N 0.96 1.07 -0.23 0.00 0.87 -1.76 -1.38 113.55 113.07 1nfr h SER 22 Ca 0.30 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1nfr h SER 22 Cb 0.00 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1nfr h SER 22 CO -0.11 0.83 0.05 0.45 -0.53 0.00 0.00 176.83 177.52 1nfr h HIS 23 N 1.22 0.40 -0.11 2.24 3.86 -1.52 -0.28 115.15 120.96 1nfr h HIS 23 Ca 0.32 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.51 1nfr h HIS 23 Cb -0.04 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1nfr h HIS 23 CO 0.01 0.48 -0.09 0.28 0.86 0.00 0.00 177.93 179.47 1nfr h VAL 24 N 0.20 0.74 -0.73 2.45 2.07 -0.67 -2.68 116.25 117.64 1nfr h VAL 24 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1nfr h VAL 24 Cb 0.29 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1nfr h VAL 24 CO 0.00 0.00 0.32 0.03 0.02 0.00 0.00 177.57 177.95 1nfr h ARG 25 N -0.10 1.07 -0.09 1.57 3.08 -1.17 -1.45 114.38 117.29 1nfr h ARG 25 Ca 0.07 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1nfr h ARG 25 Cb 0.21 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1nfr h ARG 25 CO -0.17 0.85 0.00 0.00 -1.07 0.00 0.00 179.97 179.58 1nfr n ALA 26 N -2.39 1.20 0.00 0.04 0.00 -0.13 -1.38 120.51 117.85 1nfr n ALA 26 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1nfr n ALA 26 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.34 0.00 0.28 0.00 0.31 -0.55 -1.98 118.33 116.74 1nfr n VAL 28 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 1nfr n VAL 28 Cb 0.02 0.00 0.82 0.00 -0.91 0.00 0.00 33.84 33.78 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 1.46 -0.45 3.52 0.00 -1.48 -1.40 119.26 120.91 1nfr h ALA 29 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 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 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.71 1nfr n GLU 30 N -3.81 2.53 -0.24 0.00 -0.58 -0.84 -3.85 120.64 113.86 1nfr n GLU 30 Ca -0.03 -1.81 0.00 0.00 -0.42 0.00 0.00 57.16 54.90 1nfr n GLU 30 Cb 0.15 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 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 1.00 0.64 3.85 0.62 0.00 -0.53 -0.81 105.19 109.96 1nfr n GLY 31 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.49 3.17 -0.17 4.61 0.00 -1.25 -3.91 121.76 121.72 1nfr s ALA 32 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 1nfr s ALA 32 Cb 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 1nfr s ALA 32 CO 0.00 -0.12 0.18 0.15 0.00 0.00 0.00 175.76 175.97 1nfr s LYS 33 N -3.90 4.05 -0.07 0.00 -0.14 -0.48 -4.21 119.74 115.00 1nfr s LYS 33 Ca 0.56 -0.10 0.02 0.00 -1.36 0.00 0.00 55.97 55.09 1nfr s LYS 33 Cb -0.10 -3.37 0.02 0.00 -1.68 0.00 0.00 37.83 32.70 1nfr s LYS 33 CO 0.30 0.39 -0.10 0.08 -0.76 0.00 0.00 175.35 175.26 1nfr s VAL 34 N 0.06 0.96 -0.24 3.17 1.01 -0.12 -1.09 120.40 124.15 1nfr s VAL 34 Ca 0.12 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1nfr s VAL 34 Cb -0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1nfr s VAL 34 CO 0.01 0.32 0.09 -0.69 0.00 0.00 0.00 175.10 174.84 1nfr s VAL 35 N 0.85 4.59 -0.01 2.92 1.01 0.00 -0.91 120.40 128.86 1nfr s VAL 35 Ca -0.11 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1nfr s VAL 35 Cb -0.15 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1nfr s VAL 35 CO 0.01 0.34 -0.21 0.72 0.00 0.00 0.00 175.10 175.97 1nfr s PHE 36 N 1.44 1.84 0.19 5.22 -0.12 -0.02 -1.27 117.98 125.26 1nfr s PHE 36 Ca 0.06 -0.35 0.09 0.00 -0.05 0.00 0.00 56.93 56.68 1nfr s PHE 36 Cb -0.15 -1.18 -0.04 0.00 -0.63 0.00 0.00 43.02 41.02 1nfr s PHE 36 CO 0.05 -0.03 -0.19 0.20 -0.05 0.00 0.00 175.22 175.20 1nfr s GLY 37 N -0.50 1.50 0.14 1.99 0.00 0.04 -1.51 107.32 108.99 1nfr s GLY 37 Ca 0.08 -1.57 -0.14 0.00 0.00 0.00 0.00 44.72 43.08 1nfr s GLY 37 CO -0.01 -1.63 0.70 1.34 0.00 0.00 0.00 173.10 173.50 1nfr n ASP 38 N 0.13 -1.24 -0.24 1.64 -0.08 -1.14 -0.17 116.55 115.45 1nfr n ASP 38 Ca -0.12 -1.68 0.04 0.00 -1.51 0.00 0.00 54.79 51.53 1nfr n ASP 38 Cb 0.57 2.03 0.01 0.00 2.34 0.00 0.00 41.12 46.07 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 -0.49 0.00 -3.08 5.18 -5.35 -1.26 -0.60 119.36 113.76 1nfr n ILE 39 Ca -0.02 -0.43 -0.44 0.00 -0.27 0.00 0.00 62.75 61.60 1nfr n ILE 39 Cb 0.40 1.12 0.01 0.00 -1.74 0.00 0.00 39.64 39.43 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 -0.12 6.19 -0.34 7.28 4.77 -1.26 -4.86 117.00 128.66 1nfr n LEU 40 Ca 0.04 -5.15 0.02 0.00 -0.03 0.00 0.00 56.01 50.88 1nfr n LEU 40 Cb 0.20 -1.34 0.16 0.00 -2.33 0.00 0.00 43.42 40.11 1nfr n LEU 40 CO 0.10 1.59 1.22 0.44 -1.33 0.00 0.00 177.39 179.41 1nfr h ASP 41 N 5.78 0.93 0.26 -1.43 3.32 -1.97 -0.10 116.42 123.20 1nfr h ASP 41 Ca 0.20 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1nfr h ASP 41 Cb 0.68 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1nfr h ASP 41 CO 1.26 0.59 -0.38 -0.33 -1.72 0.00 0.00 179.24 178.66 1nfr h GLU 42 N 1.06 -0.68 -0.72 3.56 3.07 -2.00 0.33 114.58 119.21 1nfr h GLU 42 Ca 0.40 0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.25 1nfr h GLU 42 Cb 0.17 0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1nfr h GLU 42 CO -0.17 -0.45 0.24 0.93 -1.40 0.00 0.00 179.01 178.15 1nfr h GLU 43 N -0.70 1.10 -0.22 2.33 5.08 -1.86 -2.65 114.58 117.66 1nfr h GLU 43 Ca -0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1nfr h GLU 43 Cb 0.67 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1nfr h GLU 43 CO -0.13 0.93 0.15 0.78 -1.00 0.00 0.00 179.01 179.73 1nfr h GLY 44 N 1.10 0.32 1.50 -3.84 0.00 -0.47 -2.84 103.07 98.84 1nfr h GLY 44 Ca 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1nfr h GLY 44 CO -0.01 0.12 0.10 0.50 0.00 0.00 0.00 176.54 177.25 1nfr h LYS 45 N 0.30 0.64 -0.23 4.80 1.57 -0.23 -2.09 116.57 121.32 1nfr h LYS 45 Ca 0.08 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nfr h LYS 45 Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1nfr h LYS 45 CO -0.02 0.59 0.00 0.00 -0.57 0.00 0.00 179.45 179.45 1nfr n ALA 46 N -2.47 1.11 0.00 3.86 0.00 -1.01 -1.55 120.51 120.46 1nfr n ALA 46 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1nfr n ALA 46 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.53 0.00 0.22 0.00 0.00 -0.79 -2.57 120.51 117.90 1nfr n ALA 48 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1nfr n ALA 48 Cb 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.51 0.00 0.00 0.00 -1.56 -2.14 119.26 115.06 1nfr h ALA 49 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nfr h ALA 49 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nfr h ALA 49 CO 0.00 -0.78 0.00 -0.85 0.00 0.00 0.00 179.25 177.62 1nfr n GLU 50 N -5.30 0.21 0.00 0.00 0.28 -1.06 -2.91 120.64 111.85 1nfr n GLU 50 Ca -0.11 0.06 0.11 0.00 -0.16 0.00 0.00 57.16 57.06 1nfr n GLU 50 Cb 0.22 -1.50 0.09 0.00 1.43 0.00 0.00 31.44 31.68 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 -1.38 2.80 0.00 -1.84 4.77 -1.01 -5.04 117.00 115.30 1nfr n LEU 51 Ca 0.09 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1nfr n LEU 51 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1nfr n LEU 51 CO 0.21 0.48 0.00 0.00 -1.33 0.00 0.00 177.39 176.74 1nfr n ALA 52 N 1.17 0.00 0.24 -1.18 0.00 -0.84 -2.18 120.51 117.73 1nfr n ALA 52 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.71 1nfr n ALA 52 Cb 0.55 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.82 1nfr n ALA 52 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1nfr h ASP 53 N 0.00 0.00 0.28 0.00 1.82 -1.93 -2.64 116.42 113.95 1nfr h ASP 53 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1nfr h ASP 53 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1nfr h ASP 53 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 1nfr n ALA 54 N -2.39 1.43 -3.09 -0.78 0.00 -0.93 -4.80 120.51 109.95 1nfr n ALA 54 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1nfr n ALA 54 Cb 0.20 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.94 -0.96 -0.02 0.00 0.00 -1.00 -0.95 121.76 115.89 1nfr s ALA 55 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1nfr s ALA 55 Cb 0.06 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1nfr s ALA 55 CO 0.16 -0.69 -0.05 1.03 0.00 0.00 0.00 175.76 176.21 1nfr s ARG 56 N -3.82 0.61 -0.13 0.00 1.81 -0.09 -4.74 118.95 112.59 1nfr s ARG 56 Ca 0.05 -0.13 -0.06 0.00 -1.72 0.00 0.00 55.73 53.86 1nfr s ARG 56 Cb 0.01 -0.63 -0.04 0.00 -0.45 0.00 0.00 34.95 33.84 1nfr s ARG 56 CO -0.10 0.01 0.10 -0.47 -0.68 0.00 0.00 175.30 174.15 1nfr s TYR 57 N 0.47 3.42 0.06 -0.53 5.04 -1.26 -0.84 117.35 123.71 1nfr s TYR 57 Ca -0.06 0.35 0.04 0.00 -2.44 0.00 0.00 57.07 54.97 1nfr s TYR 57 Cb -0.09 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.23 1nfr s TYR 57 CO -0.00 0.52 -0.12 0.14 -1.34 0.00 0.00 175.55 174.76 1nfr s VAL 58 N -0.58 0.88 0.05 3.14 -7.23 -0.57 -4.95 120.40 111.13 1nfr s VAL 58 Ca 0.12 -1.17 -0.30 0.00 -1.81 0.00 0.00 61.98 58.82 1nfr s VAL 58 Cb -0.12 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 1nfr s VAL 58 CO 0.02 -0.25 1.10 -2.28 -0.31 0.00 0.00 175.10 173.38 1nfr s HIS 59 N -1.25 3.54 -0.25 2.82 2.46 -1.26 -2.89 115.29 118.46 1nfr s HIS 59 Ca -0.05 1.48 -0.02 0.00 0.47 0.00 0.00 55.06 56.95 1nfr s HIS 59 Cb -0.10 -3.29 0.13 0.00 -0.13 0.00 0.00 32.58 29.20 1nfr s HIS 59 CO 0.01 -0.71 0.34 -1.17 -2.47 0.00 0.00 174.74 170.74 1nfr s LEU 60 N 0.93 -0.51 -0.49 8.88 2.96 0.23 -4.80 118.68 125.88 1nfr s LEU 60 Ca 0.55 -0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 54.12 1nfr s LEU 60 Cb -0.26 0.89 0.04 0.00 0.50 0.00 0.00 46.19 47.36 1nfr s LEU 60 CO 0.29 -0.33 0.68 -0.62 -1.32 0.00 0.00 176.35 175.05 1nfr s ASP 61 N 2.48 6.27 0.27 3.68 -1.08 -1.26 -3.65 116.67 123.37 1nfr s ASP 61 Ca 0.11 -0.65 0.13 0.00 -0.52 0.00 0.00 52.55 51.61 1nfr s ASP 61 Cb -0.15 -2.32 0.68 0.00 -1.46 0.00 0.00 42.92 39.67 1nfr s ASP 61 CO -0.21 -0.91 1.29 1.33 0.52 0.00 0.00 175.17 177.19 1nfr n VAL 62 N 5.77 0.83 1.36 1.11 0.24 -1.26 -0.62 118.33 125.76 1nfr n VAL 62 Ca -0.04 0.70 0.14 0.00 -2.04 0.00 0.00 64.34 63.10 1nfr n VAL 62 Cb 0.46 -1.70 0.49 0.00 -1.47 0.00 0.00 33.84 31.62 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 -1.97 0.00 -3.53 3.34 -2.24 -1.26 -4.23 114.28 104.39 1nfr n THR 63 Ca -0.01 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1nfr n THR 63 Cb 0.24 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.38 2.54 0.49 -0.78 1.11 0.20 -4.99 119.66 115.85 1nfr s GLN 64 Ca 0.29 -1.79 0.23 0.00 0.01 0.00 0.00 55.36 54.10 1nfr s GLN 64 Cb 0.20 -3.97 1.27 0.00 -1.01 0.00 0.00 33.01 29.50 1nfr s GLN 64 CO 0.47 -1.21 1.93 -1.00 0.01 0.00 0.00 175.29 175.49 1nfr h PRO 65 N 8.46 0.18 -0.11 2.91 0.13 -1.84 -0.63 132.00 141.09 1nfr h PRO 65 Ca -0.21 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 1nfr h PRO 65 Cb 1.07 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1nfr h PRO 65 CO 0.87 0.12 -0.25 0.00 -0.23 0.00 0.00 178.00 178.51 1nfr h ALA 66 N 1.66 1.38 -0.04 -0.56 0.00 -1.94 -2.15 119.26 117.61 1nfr h ALA 66 Ca 0.35 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1nfr h ALA 66 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1nfr h ALA 66 CO -0.06 0.43 -0.68 1.96 0.00 0.00 0.00 179.25 180.90 1nfr h GLN 67 N 0.17 0.18 -0.35 0.00 4.20 -1.43 -2.30 115.11 115.58 1nfr h GLN 67 Ca 0.03 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1nfr h GLN 67 Cb 0.54 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1nfr h GLN 67 CO 0.04 0.80 -0.11 -1.49 -0.67 0.00 0.00 178.83 177.39 1nfr h TRP 68 N 0.13 0.79 -0.61 2.96 4.06 -1.30 -1.05 115.95 120.93 1nfr h TRP 68 Ca -0.02 -0.18 0.05 0.00 2.06 0.00 0.00 58.89 60.80 1nfr h TRP 68 Cb 1.22 -0.19 -0.05 0.00 -1.00 0.00 0.00 29.16 29.14 1nfr h TRP 68 CO 0.02 0.87 0.34 -0.22 -3.56 0.00 0.00 178.44 175.89 1nfr h LYS 69 N 0.49 0.63 -0.34 0.49 3.64 -1.27 -1.00 116.57 119.20 1nfr h LYS 69 Ca 0.09 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1nfr h LYS 69 Cb 0.63 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1nfr h LYS 69 CO 0.04 0.42 -0.21 0.00 -2.27 0.00 0.00 179.45 177.43 1nfr h ALA 70 N 1.31 1.00 -0.42 5.00 0.00 -1.26 -1.14 119.26 123.76 1nfr h ALA 70 Ca 0.27 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1nfr h ALA 70 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1nfr h ALA 70 CO -0.16 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.74 1nfr h ALA 71 N 1.20 0.56 -0.59 0.00 0.00 -0.55 -1.91 119.26 117.96 1nfr h ALA 71 Ca 0.09 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1nfr h ALA 71 Cb 0.67 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1nfr h ALA 71 CO 0.05 0.29 0.01 0.28 0.00 0.00 0.00 179.25 179.88 1nfr h VAL 72 N 0.55 1.26 -0.82 0.00 2.07 -1.01 -2.46 116.25 115.85 1nfr h VAL 72 Ca 0.12 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1nfr h VAL 72 Cb 0.40 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1nfr h VAL 72 CO 0.01 0.41 0.42 0.44 0.02 0.00 0.00 177.57 178.87 1nfr h ASP 73 N 0.93 1.04 -0.50 0.57 3.32 -1.02 -1.63 116.42 119.13 1nfr h ASP 73 Ca 0.17 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1nfr h ASP 73 Cb 0.53 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1nfr h ASP 73 CO 0.03 0.85 0.28 0.74 -1.72 0.00 0.00 179.24 179.42 1nfr h THR 74 N 1.15 1.17 -0.68 0.35 2.02 -1.06 0.99 112.91 116.86 1nfr h THR 74 Ca 0.28 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1nfr h THR 74 Cb 0.07 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1nfr h THR 74 CO -0.04 0.18 0.26 0.00 0.37 0.00 0.00 175.52 176.30 1nfr h ALA 75 N 1.12 0.88 -0.02 6.16 0.00 -1.07 -0.28 119.26 126.05 1nfr h ALA 75 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1nfr h ALA 75 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1nfr h ALA 75 CO -0.03 0.51 -0.05 0.28 0.00 0.00 0.00 179.25 179.96 1nfr h VAL 76 N 0.96 1.44 -0.39 0.00 2.07 -0.98 -0.58 116.25 118.78 1nfr h VAL 76 Ca 0.22 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 1nfr h VAL 76 Cb 0.22 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1nfr h VAL 76 CO -0.02 0.37 -0.13 0.71 0.02 0.00 0.00 177.57 178.52 1nfr h THR 77 N -0.47 1.28 0.01 2.57 1.35 -0.82 0.80 112.91 117.62 1nfr h THR 77 Ca 0.00 -1.23 -0.22 0.00 -0.55 0.00 0.00 66.41 64.41 1nfr h THR 77 Cb 0.62 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1nfr h THR 77 CO 0.01 0.41 -0.93 0.00 -0.25 0.00 0.00 175.52 174.76 1nfr h ALA 78 N 0.82 0.41 -0.00 6.62 0.00 -1.15 -3.38 119.26 122.59 1nfr h ALA 78 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1nfr h ALA 78 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nfr h ALA 78 CO 0.05 0.85 -0.00 1.19 0.00 0.00 0.00 179.25 181.34 1nfr n PHE 79 N -3.71 0.00 -0.00 0.00 0.99 -0.23 -5.03 117.46 109.48 1nfr n PHE 79 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1nfr n PHE 79 Cb 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.31 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 0.06 2.17 0.00 1.37 0.00 0.28 -4.95 105.19 104.12 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 -2.00 1.20 3.32 -0.02 0.00 -1.24 -4.92 105.19 101.53 1nfr n GLY 81 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.22 -0.00 0.99 2.96 -1.26 -3.65 118.68 116.50 1nfr s LEU 82 Ca 0.00 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1nfr s LEU 82 Cb 0.00 2.14 -0.03 0.00 0.50 0.00 0.00 46.19 48.80 1nfr s LEU 82 CO 0.00 -0.23 0.07 1.41 -1.32 0.00 0.00 176.35 176.28 1nfr n HIS 83 N 5.42 0.00 -4.16 5.38 8.25 0.12 -4.92 115.22 125.30 1nfr n HIS 83 Ca -0.05 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.25 1nfr n HIS 83 Cb 0.51 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.76 0.42 -0.07 1.59 1.01 -0.30 -0.66 120.40 120.63 1nfr s VAL 84 Ca -0.00 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1nfr s VAL 84 Cb 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1nfr s VAL 84 CO 0.10 0.13 -0.08 -0.22 0.00 0.00 0.00 175.10 175.02 1nfr s LEU 85 N -0.05 1.37 -0.42 3.92 2.96 -0.60 -0.39 118.68 125.47 1nfr s LEU 85 Ca 0.01 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1nfr s LEU 85 Cb -0.03 -0.71 0.11 0.00 0.50 0.00 0.00 46.19 46.06 1nfr s LEU 85 CO -0.00 -0.04 0.19 -0.69 -1.32 0.00 0.00 176.35 174.49 1nfr s VAL 86 N 1.10 3.06 -1.25 1.68 1.01 0.01 0.32 120.40 126.33 1nfr s VAL 86 Ca -0.07 -2.27 -0.20 0.00 0.00 0.00 0.00 61.98 59.44 1nfr s VAL 86 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1nfr s VAL 86 CO -0.01 -0.69 1.82 0.20 0.00 0.00 0.00 175.10 176.42 1nfr s ASN 87 N 1.41 6.05 -0.16 3.32 0.01 0.26 -2.55 114.94 123.27 1nfr s ASN 87 Ca 0.10 -2.11 0.18 0.00 -0.71 0.00 0.00 52.86 50.33 1nfr s ASN 87 Cb -0.22 -2.58 -0.26 0.00 0.41 0.00 0.00 41.25 38.60 1nfr s ASN 87 CO -0.05 -2.01 0.17 -3.20 -1.51 0.00 0.00 177.10 170.50 1nfr n ASN 88 N 11.02 0.05 -4.62 -1.22 2.85 -1.24 -1.91 115.26 120.18 1nfr n ASN 88 Ca 0.47 0.02 -0.46 0.00 -0.11 0.00 0.00 54.58 54.50 1nfr n ASN 88 Cb 0.46 1.11 -0.03 0.00 1.24 0.00 0.00 39.78 42.57 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 -2.66 0.19 -3.61 5.20 0.00 -0.80 -4.84 120.51 114.00 1nfr n ALA 89 Ca -0.27 0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 1nfr n ALA 89 Cb 1.05 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.08 -0.30 0.19 0.00 0.00 -1.26 -4.74 107.32 101.13 1nfr s GLY 90 Ca 0.66 1.51 0.03 0.00 0.00 0.00 0.00 44.72 46.92 1nfr s GLY 90 CO 0.54 0.48 -0.01 -0.26 0.00 0.00 0.00 173.10 173.85 1nfr s ILE 91 N -2.33 0.87 -0.05 0.90 -4.36 -1.26 -5.05 121.20 109.91 1nfr s ILE 91 Ca 0.11 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 1nfr s ILE 91 Cb 0.00 -2.16 0.02 0.00 1.25 0.00 0.00 42.46 41.57 1nfr s ILE 91 CO -0.04 -0.46 -0.05 -0.22 0.24 0.00 0.00 174.94 174.42 1nfr s LEU 92 N -3.22 1.24 0.07 0.37 2.96 -1.26 -4.92 118.68 113.91 1nfr s LEU 92 Ca 0.25 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1nfr s LEU 92 Cb 0.05 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 1nfr s LEU 92 CO 0.05 -0.07 -0.08 0.54 -1.32 0.00 0.00 176.35 175.47 1nfr s ASN 93 N 1.10 1.07 0.23 3.68 2.20 -1.26 -5.14 114.94 116.83 1nfr s ASN 93 Ca -0.08 -0.71 0.04 0.00 -0.94 0.00 0.00 52.86 51.17 1nfr s ASN 93 Cb -0.14 0.04 -0.05 0.00 -2.00 0.00 0.00 41.25 39.10 1nfr s ASN 93 CO -0.01 -0.27 -0.02 0.27 -2.94 0.00 0.00 177.10 174.13 1nfr s ILE 94 N -2.13 1.15 0.00 0.54 -4.36 -1.26 -4.52 121.20 110.62 1nfr s ILE 94 Ca -0.01 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 1nfr s ILE 94 Cb -0.05 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.33 1nfr s ILE 94 CO -0.01 -0.35 0.00 0.61 0.24 0.00 0.00 174.94 175.43 1nfr n GLY 95 N -0.43 4.14 3.59 6.27 0.00 -0.65 -4.86 105.19 113.25 1nfr n GLY 95 Ca -0.05 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.01 2.17 0.25 2.61 -4.23 -1.26 -4.25 115.64 109.92 1nfr s THR 96 Ca 0.00 0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.53 1nfr s THR 96 Cb 0.00 -2.22 0.22 0.00 1.34 0.00 0.00 72.50 71.84 1nfr s THR 96 CO 0.00 -0.07 1.75 0.40 -0.54 0.00 0.00 174.62 176.16 1nfr h ILE 97 N -2.19 0.71 0.11 2.99 2.04 -1.96 -0.77 117.51 118.45 1nfr h ILE 97 Ca -0.54 -0.18 -0.20 0.00 1.00 0.00 0.00 64.86 64.94 1nfr h ILE 97 Cb 1.31 0.13 0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1nfr h ILE 97 CO 0.50 0.10 -0.84 -0.33 0.00 0.00 0.00 178.15 177.58 1nfr h GLU 98 N 0.54 0.37 0.00 2.37 3.07 -2.05 -3.37 114.58 115.51 1nfr h GLU 98 Ca 0.42 -0.55 -0.10 0.00 -0.50 0.00 0.00 59.36 58.63 1nfr h GLU 98 Cb 0.60 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1nfr h GLU 98 CO -0.37 1.23 -0.49 0.38 -1.40 0.00 0.00 179.01 178.37 1nfr h ASP 99 N -0.22 0.00 -2.39 1.42 2.03 -1.89 -3.46 116.42 111.92 1nfr h ASP 99 Ca -0.14 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.60 1nfr h ASP 99 Cb 1.62 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 40.17 1nfr h ASP 99 CO 0.16 0.49 0.92 0.00 -1.03 0.00 0.00 179.24 179.78 1nfr n TYR 100 N -3.28 2.46 -2.79 4.15 9.36 -0.31 -4.89 117.16 121.86 1nfr n TYR 100 Ca 0.01 0.13 -0.40 0.00 3.32 0.00 0.00 57.90 60.96 1nfr n TYR 100 Cb 0.70 -2.61 -0.06 0.00 -0.63 0.00 0.00 39.34 36.74 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 1.47 3.33 0.51 2.98 0.00 -1.26 -4.93 121.76 123.86 1nfr s ALA 101 Ca 0.79 0.55 0.32 0.00 0.00 0.00 0.00 51.96 53.62 1nfr s ALA 101 Cb -0.61 -3.18 1.77 0.00 0.00 0.00 0.00 23.12 21.10 1nfr s ALA 101 CO 0.37 0.15 2.19 -0.07 0.00 0.00 0.00 175.76 178.41 1nfr h LEU 102 N 4.64 0.00 -0.52 0.00 3.38 -1.98 -0.71 115.31 120.12 1nfr h LEU 102 Ca -0.45 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.36 1nfr h LEU 102 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1nfr h LEU 102 CO 0.69 0.05 -0.71 0.71 0.09 0.00 0.00 178.44 179.26 1nfr h THR 103 N 0.00 1.44 -0.38 0.22 1.35 -1.99 -1.14 112.91 112.41 1nfr h THR 103 Ca -0.00 -2.25 -0.16 0.00 -0.55 0.00 0.00 66.41 63.45 1nfr h THR 103 Cb 0.15 2.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 1nfr h THR 103 CO 0.01 0.66 -0.39 -0.33 -0.25 0.00 0.00 175.52 175.22 1nfr h GLU 104 N 0.13 0.91 -0.27 4.72 5.08 -1.55 -1.58 114.58 122.03 1nfr h GLU 104 Ca -0.02 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1nfr h GLU 104 Cb 1.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1nfr h GLU 104 CO 0.11 1.13 0.07 2.35 -1.00 0.00 0.00 179.01 181.68 1nfr h TRP 105 N 0.75 0.44 -0.43 4.33 2.91 -1.21 -1.67 115.95 121.06 1nfr h TRP 105 Ca 0.06 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 1nfr h TRP 105 Cb 0.98 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.48 1nfr h TRP 105 CO 0.06 0.48 0.17 1.96 -1.03 0.00 0.00 178.44 180.09 1nfr h GLN 106 N 0.26 0.64 -0.75 2.65 1.08 -1.17 -2.17 115.11 115.65 1nfr h GLN 106 Ca 0.08 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1nfr h GLN 106 Cb 0.26 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 1nfr h GLN 106 CO -0.00 0.59 0.32 -0.09 -0.95 0.00 0.00 178.83 178.70 1nfr h ARG 107 N 0.55 1.11 -0.04 1.46 9.65 -1.22 -0.70 114.38 125.19 1nfr h ARG 107 Ca 0.14 -0.19 -0.14 0.00 -1.10 0.00 0.00 59.98 58.70 1nfr h ARG 107 Cb 0.19 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1nfr h ARG 107 CO -0.01 0.89 -0.62 0.97 2.80 0.00 0.00 179.97 184.00 1nfr h ILE 108 N 1.07 1.41 -0.48 1.20 2.10 -1.21 -1.01 117.51 120.59 1nfr h ILE 108 Ca 0.25 -2.05 -0.08 0.00 1.08 0.00 0.00 64.86 64.06 1nfr h ILE 108 Cb 0.18 2.08 -0.02 0.00 -1.09 0.00 0.00 36.82 37.97 1nfr h ILE 108 CO -0.03 0.60 0.01 -0.07 -1.08 0.00 0.00 178.15 177.58 1nfr h LEU 109 N 0.09 0.83 -0.18 2.19 4.07 -1.10 0.24 115.31 121.46 1nfr h LEU 109 Ca -0.01 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 57.64 1nfr h LEU 109 Cb 1.11 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 1nfr h LEU 109 CO 0.09 0.93 0.09 0.44 -1.08 0.00 0.00 178.44 178.91 1nfr h ASP 110 N 0.71 0.22 0.08 -0.43 3.32 -0.83 -0.48 116.42 119.01 1nfr h ASP 110 Ca 0.14 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1nfr h ASP 110 Cb 0.50 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1nfr h ASP 110 CO 0.02 0.26 -0.04 0.58 -1.72 0.00 0.00 179.24 178.35 1nfr h VAL 111 N 0.17 0.79 -0.02 -1.35 2.07 -1.13 0.07 116.25 116.85 1nfr h VAL 111 Ca 0.06 -1.40 -0.17 0.00 0.82 0.00 0.00 66.70 66.01 1nfr h VAL 111 Cb 0.09 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1nfr h VAL 111 CO -0.01 0.24 -0.75 0.78 0.02 0.00 0.00 177.57 177.85 1nfr h ASN 112 N -0.96 0.19 0.00 0.57 4.21 -1.08 -3.23 115.58 115.27 1nfr h ASN 112 Ca -0.01 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.36 1nfr h ASN 112 Cb 0.48 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1nfr h ASN 112 CO 0.02 0.87 -0.51 -0.11 -1.29 0.00 0.00 177.43 176.41 1nfr n LEU 113 N -3.73 1.11 -0.28 1.61 7.94 -0.79 -4.28 117.00 118.58 1nfr n LEU 113 Ca -0.02 0.18 -0.01 0.00 -1.11 0.00 0.00 56.01 55.05 1nfr n LEU 113 Cb 0.72 -0.58 0.18 0.00 0.53 0.00 0.00 43.42 44.28 1nfr n LEU 113 CO 0.46 -0.41 1.25 0.74 -1.11 0.00 0.00 177.39 178.31 1nfr h THR 114 N -0.51 1.22 -0.87 1.96 2.02 -1.10 -1.91 112.91 113.72 1nfr h THR 114 Ca 0.00 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1nfr h THR 114 Cb 0.51 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1nfr h THR 114 CO 0.00 0.22 0.58 1.23 0.37 0.00 0.00 175.52 177.92 1nfr h GLY 115 N 1.16 1.23 0.93 2.16 0.00 -0.99 0.25 103.07 107.80 1nfr h GLY 115 Ca 0.31 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1nfr h GLY 115 CO -0.06 0.45 -0.05 -2.08 0.00 0.00 0.00 176.54 174.80 1nfr h VAL 116 N 1.18 1.27 -0.70 4.60 2.07 -1.54 -1.51 116.25 121.63 1nfr h VAL 116 Ca 0.32 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1nfr h VAL 116 Cb -0.14 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1nfr h VAL 116 CO -0.07 0.36 0.19 0.15 0.02 0.00 0.00 177.57 178.22 1nfr h PHE 117 N 0.46 1.16 -0.81 1.57 3.57 -0.70 -2.43 116.94 119.76 1nfr h PHE 117 Ca 0.09 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1nfr h PHE 117 Cb 0.54 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1nfr h PHE 117 CO 0.04 0.94 0.35 -0.07 -2.23 0.00 0.00 178.31 177.34 1nfr h LEU 118 N 1.05 1.09 -0.37 0.59 3.38 -0.37 -1.15 115.31 119.53 1nfr h LEU 118 Ca 0.22 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1nfr h LEU 118 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1nfr h LEU 118 CO -0.00 0.95 0.24 1.23 0.09 0.00 0.00 178.44 180.95 1nfr h GLY 119 N 1.18 0.52 0.84 0.83 0.00 -1.01 -1.69 103.07 103.73 1nfr h GLY 119 Ca 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1nfr h GLY 119 CO -0.03 0.18 0.17 -2.22 0.00 0.00 0.00 176.54 174.65 1nfr h ILE 120 N 0.50 0.98 -0.80 2.60 2.04 -1.07 -1.75 117.51 120.01 1nfr h ILE 120 Ca 0.14 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1nfr h ILE 120 Cb -0.05 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 1nfr h ILE 120 CO -0.04 0.06 0.48 0.03 0.00 0.00 0.00 178.15 178.69 1nfr h ARG 121 N 0.35 0.85 -0.31 2.37 3.08 -0.87 -2.74 114.38 117.12 1nfr h ARG 121 Ca 0.14 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 1nfr h ARG 121 Cb 0.06 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1nfr h ARG 121 CO -0.10 0.56 -0.47 0.00 -1.07 0.00 0.00 179.97 178.89 1nfr h ALA 122 N 1.39 0.57 0.00 0.04 0.00 -0.90 -3.29 119.26 117.07 1nfr h ALA 122 Ca 0.35 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1nfr h ALA 122 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1nfr h ALA 122 CO -0.18 0.68 -0.12 1.33 0.00 0.00 0.00 179.25 180.96 1nfr n VAL 123 N -4.02 0.06 0.09 0.00 0.24 -0.70 -4.06 118.33 109.94 1nfr n VAL 123 Ca -0.03 -0.03 -0.03 0.00 -2.04 0.00 0.00 64.34 62.20 1nfr n VAL 123 Cb 0.59 -0.34 0.19 0.00 -1.47 0.00 0.00 33.84 32.80 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 1.34 0.67 3.34 -1.51 -1.56 -3.28 116.25 115.25 1nfr h VAL 124 Ca 0.00 -1.68 -0.03 0.00 -1.23 0.00 0.00 66.70 63.76 1nfr h VAL 124 Cb 0.53 1.79 0.01 0.00 -2.13 0.00 0.00 31.29 31.49 1nfr h VAL 124 CO 0.00 0.50 -0.32 0.50 -1.23 0.00 0.00 177.57 177.02 1nfr h LYS 125 N 0.19 -0.87 -1.00 5.19 3.64 -1.78 0.30 116.57 122.24 1nfr h LYS 125 Ca 0.01 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1nfr h LYS 125 Cb 0.92 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1nfr h LYS 125 CO 0.07 -0.58 0.00 -0.35 -2.27 0.00 0.00 179.45 176.33 1nfr n PRO 126 N -5.48 0.04 0.00 1.90 -0.04 -1.24 -1.93 135.00 128.25 1nfr n PRO 126 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1nfr n PRO 126 Cb 0.37 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.73 0.00 0.06 0.54 5.02 0.10 -2.21 118.16 122.40 1nfr n LYS 128 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1nfr n LYS 128 Cb 0.01 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.09 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 0.33 0.00 1.97 5.08 -1.60 -2.99 114.58 117.36 1nfr h GLU 129 Ca 0.00 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1nfr h GLU 129 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1nfr h GLU 129 CO 0.00 0.88 -0.23 0.00 -1.00 0.00 0.00 179.01 178.66 1nfr h ALA 130 N 1.05 0.86 0.00 3.43 0.00 -1.72 -3.47 119.26 119.41 1nfr h ALA 130 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nfr h ALA 130 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nfr h ALA 130 CO 0.11 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1nfr n GLY 131 N 1.15 0.54 3.58 0.00 0.00 -1.13 -5.02 105.19 104.30 1nfr n GLY 131 Ca 0.03 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.09 1.08 0.00 1.61 1.04 -1.24 -4.12 118.95 116.23 1nfr s ARG 132 Ca 0.00 -0.48 0.00 0.00 -1.04 0.00 0.00 55.73 54.21 1nfr s ARG 132 Cb 0.00 0.45 0.00 0.00 -2.04 0.00 0.00 34.95 33.36 1nfr s ARG 132 CO 0.00 -0.48 0.00 0.41 -0.04 0.00 0.00 175.30 175.19 1nfr n GLY 133 N -0.34 2.05 2.68 3.88 0.00 -1.11 -4.66 105.19 107.69 1nfr n GLY 133 Ca -0.09 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 1nfr n GLY 133 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nfr s SER 134 N 0.00 1.38 -0.19 1.61 0.15 0.17 -0.77 113.70 116.05 1nfr s SER 134 Ca 0.00 -0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.55 1nfr s SER 134 Cb 0.00 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1nfr s SER 134 CO 0.00 -0.25 0.03 -0.63 1.20 0.00 0.00 173.24 173.59 1nfr s ILE 135 N 2.12 4.41 -0.30 6.45 1.01 0.73 -1.56 121.20 134.06 1nfr s ILE 135 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1nfr s ILE 135 Cb -0.13 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.43 1nfr s ILE 135 CO -0.04 0.44 -0.03 -0.63 0.00 0.00 0.00 174.94 174.68 1nfr s ILE 136 N 0.66 2.40 -0.19 2.92 1.01 0.15 -1.54 121.20 126.60 1nfr s ILE 136 Ca 0.02 -1.83 -0.15 0.00 0.00 0.00 0.00 60.65 58.68 1nfr s ILE 136 Cb -0.14 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1nfr s ILE 136 CO 0.02 -0.25 0.38 0.20 0.00 0.00 0.00 174.94 175.29 1nfr s ASN 137 N 1.11 6.44 -0.54 3.58 0.01 -0.43 -0.58 114.94 124.54 1nfr s ASN 137 Ca -0.02 0.52 -0.23 0.00 -0.71 0.00 0.00 52.86 52.42 1nfr s ASN 137 Cb -0.20 -2.22 0.04 0.00 0.41 0.00 0.00 41.25 39.28 1nfr s ASN 137 CO -0.05 -0.04 0.88 -0.63 -1.51 0.00 0.00 177.10 175.74 1nfr s ILE 138 N 1.13 4.49 0.00 0.60 -1.09 -0.80 -0.90 121.20 124.63 1nfr s ILE 138 Ca 0.19 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1nfr s ILE 138 Cb -0.14 -4.49 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 1nfr s ILE 138 CO 0.07 -1.04 0.00 -0.24 -1.23 0.00 0.00 174.94 172.50 1nfr n SER 139 N 7.19 0.00 -3.65 3.58 2.88 0.78 -4.93 113.62 119.47 1nfr n SER 139 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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 -0.77 -0.07 0.07 -3.46 1.04 -1.23 -4.35 113.70 104.93 1nfr s SER 140 Ca 0.00 -0.27 0.14 0.00 0.48 0.00 0.00 55.95 56.31 1nfr s SER 140 Cb 0.00 0.28 0.62 0.00 0.10 0.00 0.00 66.02 67.02 1nfr s SER 140 CO 0.00 -0.52 1.45 2.30 0.98 0.00 0.00 173.24 177.45 1nfr n ILE 141 N -0.56 1.13 1.38 -1.02 -5.35 -0.96 0.13 119.36 114.11 1nfr n ILE 141 Ca -0.06 0.31 0.13 0.00 -0.27 0.00 0.00 62.75 62.87 1nfr n ILE 141 Cb 0.61 -1.15 0.71 0.00 -1.74 0.00 0.00 39.64 38.07 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 -1.69 0.49 -0.18 6.28 4.71 -1.26 -1.70 120.64 127.29 1nfr n GLU 142 Ca 0.02 0.03 0.11 0.00 -0.01 0.00 0.00 57.16 57.31 1nfr n GLU 142 Cb 0.15 -1.50 0.20 0.00 -1.01 0.00 0.00 31.44 29.27 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 0.94 1.70 0.01 0.62 0.00 0.12 -4.18 105.19 104.40 1nfr n GLY 143 Ca 0.15 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 1.33 0.00 -3.74 0.99 4.77 -0.69 -4.37 117.00 115.31 1nfr n LEU 144 Ca 0.18 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 1nfr n LEU 144 Cb 0.56 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1nfr n LEU 144 CO 0.14 0.03 0.26 0.00 -1.33 0.00 0.00 177.39 176.49 1nfr s ALA 145 N -2.24 -0.91 0.61 -1.18 0.00 -0.99 -5.13 121.76 111.91 1nfr s ALA 145 Ca -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1nfr s ALA 145 Cb 0.02 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.03 1nfr s ALA 145 CO 0.18 -0.79 0.87 0.20 0.00 0.00 0.00 175.76 176.22 1nfr s GLY 146 N -2.87 1.77 -0.07 0.00 0.00 -1.26 -4.40 107.32 100.49 1nfr s GLY 146 Ca 0.09 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.58 1nfr s GLY 146 CO -0.03 -0.84 0.19 -1.59 0.00 0.00 0.00 173.10 170.82 1nfr s THR 147 N -2.95 -0.02 0.29 0.90 2.01 -1.26 -5.06 115.64 109.55 1nfr s THR 147 Ca 0.58 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 1nfr s THR 147 Cb -0.10 -0.28 -0.13 0.00 0.01 0.00 0.00 72.50 72.00 1nfr s THR 147 CO 0.41 0.02 1.24 0.52 -0.69 0.00 0.00 174.62 176.13 1nfr n VAL 148 N 3.42 1.67 -4.02 3.82 0.31 -1.26 -2.24 118.33 120.04 1nfr n VAL 148 Ca -0.17 -0.42 -0.32 0.00 -0.01 0.00 0.00 64.34 63.42 1nfr n VAL 148 Cb 0.56 -1.37 0.01 0.00 -0.91 0.00 0.00 33.84 32.13 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 0.77 -1.33 -2.80 3.52 0.00 -1.26 -4.85 120.51 114.56 1nfr n ALA 149 Ca 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 1nfr n ALA 149 Cb 0.33 -3.96 0.06 0.00 0.00 0.00 0.00 19.45 15.88 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 2.49 0.74 -0.26 0.00 -0.00 -1.81 0.98 115.15 117.29 1nfr h HIS 151 Ca -0.17 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.37 60.04 1nfr h HIS 151 Cb 1.26 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.47 1nfr h HIS 151 CO 0.44 0.78 0.07 0.78 -0.00 0.00 0.00 177.93 180.01 1nfr h GLY 152 N 0.49 0.43 0.84 2.45 0.00 -1.92 -1.60 103.07 103.76 1nfr h GLY 152 Ca 0.10 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1nfr h GLY 152 CO 0.02 0.24 -0.10 -1.82 0.00 0.00 0.00 176.54 174.89 1nfr h TYR 153 N 0.25 0.54 0.24 5.60 3.20 -1.78 -2.48 116.97 122.55 1nfr h TYR 153 Ca 0.08 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1nfr h TYR 153 Cb 0.25 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1nfr h TYR 153 CO 0.01 0.74 -0.12 1.15 -1.64 0.00 0.00 178.16 178.30 1nfr h THR 154 N 0.20 0.78 -0.70 1.81 2.02 -0.82 -1.32 112.91 114.87 1nfr h THR 154 Ca 0.05 -0.10 0.12 0.00 0.77 0.00 0.00 66.41 67.25 1nfr h THR 154 Cb 0.58 0.84 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 1nfr h THR 154 CO 0.03 0.02 0.29 0.00 0.37 0.00 0.00 175.52 176.23 1nfr h ALA 155 N 0.37 0.96 -0.21 6.16 0.00 -1.32 -0.61 119.26 124.61 1nfr h ALA 155 Ca -0.03 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 1nfr h ALA 155 Cb 0.29 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nfr h ALA 155 CO 0.06 -0.17 -0.68 1.79 0.00 0.00 0.00 179.25 180.25 1nfr h THR 156 N 0.47 1.27 -0.37 0.00 1.35 -1.28 -1.20 112.91 113.16 1nfr h THR 156 Ca 0.37 -1.86 -0.06 0.00 -0.55 0.00 0.00 66.41 64.31 1nfr h THR 156 Cb 0.50 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 1nfr h THR 156 CO -0.35 0.60 -0.03 0.11 -0.25 0.00 0.00 175.52 175.61 1nfr h LYS 157 N 0.60 0.59 -0.23 4.72 1.79 -0.86 0.10 116.57 123.28 1nfr h LYS 157 Ca -0.02 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.23 1nfr h LYS 157 Cb 1.30 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 1nfr h LYS 157 CO 0.14 0.63 -0.15 0.74 -1.08 0.00 0.00 179.45 179.73 1nfr h PHE 158 N 0.56 0.60 -0.76 -1.35 -1.00 -1.07 -2.23 116.94 111.68 1nfr h PHE 158 Ca 0.11 -0.16 0.08 0.00 2.81 0.00 0.00 57.97 60.81 1nfr h PHE 158 Cb 0.40 -0.13 -0.06 0.00 3.61 0.00 0.00 35.95 39.76 1nfr h PHE 158 CO 0.02 0.81 0.43 0.00 -1.61 0.00 0.00 178.31 177.96 1nfr h ALA 159 N 0.69 1.06 -0.73 2.45 0.00 -0.62 -1.03 119.26 121.08 1nfr h ALA 159 Ca 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1nfr h ALA 159 Cb 0.67 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1nfr h ALA 159 CO 0.04 0.10 0.29 0.28 0.00 0.00 0.00 179.25 179.96 1nfr h VAL 160 N 0.77 1.25 -0.66 0.00 2.07 -0.74 0.12 116.25 119.06 1nfr h VAL 160 Ca 0.35 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1nfr h VAL 160 Cb 0.27 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1nfr h VAL 160 CO -0.21 0.32 0.37 -0.09 0.02 0.00 0.00 177.57 177.97 1nfr h ARG 161 N 1.06 0.66 -0.11 1.57 2.43 -0.68 -1.51 114.38 117.80 1nfr h ARG 161 Ca 0.24 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1nfr h ARG 161 Cb 0.21 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1nfr h ARG 161 CO -0.02 0.44 -0.11 0.78 -1.51 0.00 0.00 179.97 179.55 1nfr h GLY 162 N 0.68 0.29 0.73 2.80 0.00 -0.60 -3.15 103.07 103.82 1nfr h GLY 162 Ca 0.29 -0.30 0.12 0.00 0.00 0.00 0.00 47.33 47.45 1nfr h GLY 162 CO -0.18 0.27 0.52 -2.00 0.00 0.00 0.00 176.54 175.16 1nfr h LEU 163 N -0.13 0.57 -0.92 3.11 5.85 -0.55 0.00 115.31 123.23 1nfr h LEU 163 Ca 0.02 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1nfr h LEU 163 Cb 0.63 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1nfr h LEU 163 CO 0.03 0.32 0.58 0.74 -0.34 0.00 0.00 178.44 179.76 1nfr h THR 164 N 0.62 1.03 0.09 1.05 2.02 -1.24 -0.95 112.91 115.53 1nfr h THR 164 Ca 0.38 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1nfr h THR 164 Cb 0.63 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1nfr h THR 164 CO -0.15 0.19 -0.04 0.11 0.37 0.00 0.00 175.52 176.00 1nfr h LYS 165 N 1.03 -0.12 -0.63 6.66 1.57 -1.03 -1.80 116.57 122.25 1nfr h LYS 165 Ca 0.41 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1nfr h LYS 165 Cb 0.23 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1nfr h LYS 165 CO -0.19 0.39 0.41 0.66 -0.57 0.00 0.00 179.45 180.15 1nfr h SER 166 N -0.72 0.73 0.12 0.86 4.64 -1.38 -1.55 113.55 116.26 1nfr h SER 166 Ca -0.01 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 1nfr h SER 166 Cb 0.56 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1nfr h SER 166 CO 0.02 0.54 -0.35 0.71 -0.87 0.00 0.00 176.83 176.88 1nfr h THR 167 N 0.86 1.29 -0.55 2.95 1.35 -1.25 -2.28 112.91 115.28 1nfr h THR 167 Ca 0.23 -1.40 -0.06 0.00 -0.55 0.00 0.00 66.41 64.63 1nfr h THR 167 Cb -0.09 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1nfr h THR 167 CO -0.05 0.43 0.09 0.00 -0.25 0.00 0.00 175.52 175.74 1nfr h ALA 168 N 1.35 0.73 -0.60 6.62 0.00 -0.88 0.18 119.26 126.65 1nfr h ALA 168 Ca 0.03 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1nfr h ALA 168 Cb 0.75 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1nfr h ALA 168 CO 0.06 0.46 0.07 -0.07 0.00 0.00 0.00 179.25 179.77 1nfr h LEU 169 N 0.79 0.98 -0.23 0.00 3.38 -1.15 -1.02 115.31 118.07 1nfr h LEU 169 Ca 0.17 -0.27 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 1nfr h LEU 169 Cb 0.40 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1nfr h LEU 169 CO 0.01 1.01 -0.70 -0.08 0.09 0.00 0.00 178.44 178.77 1nfr h GLU 170 N 0.92 0.80 0.00 1.13 4.81 -1.17 -3.30 114.58 117.77 1nfr h GLU 170 Ca 0.18 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1nfr h GLU 170 Cb 0.46 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1nfr h GLU 170 CO 0.02 1.21 -0.30 1.28 -0.73 0.00 0.00 179.01 180.49 1nfr n LEU 171 N -3.95 0.41 -0.03 1.64 4.77 0.62 -4.28 117.00 116.18 1nfr n LEU 171 Ca -0.06 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1nfr n LEU 171 Cb 0.70 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1nfr n LEU 171 CO 0.52 0.01 0.59 1.23 -1.33 0.00 0.00 177.39 178.42 1nfr h GLY 172 N 4.85 -0.62 1.22 -0.72 0.00 -1.22 -0.35 103.07 106.23 1nfr h GLY 172 Ca 0.00 0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.84 1nfr h GLY 172 CO 0.00 -0.22 0.38 -2.55 0.00 0.00 0.00 176.54 174.16 1nfr h PRO 173 N -0.44 0.00 -0.01 4.80 0.11 -1.81 0.27 132.00 134.93 1nfr h PRO 173 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1nfr h PRO 173 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1nfr h PRO 173 CO -0.43 0.00 -0.10 0.43 -0.21 0.00 0.00 178.00 177.69 1nfr n SER 174 N -2.93 1.08 0.00 -2.05 7.64 -0.16 -4.91 113.62 112.29 1nfr n SER 174 Ca -0.01 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.74 1nfr n SER 174 Cb 0.44 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 1.23 0.56 3.49 0.23 0.00 0.95 -3.60 105.19 108.05 1nfr n GLY 175 Ca 0.17 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 4.00 0.06 -0.61 1.01 -1.07 -2.76 121.20 119.82 1nfr s ILE 176 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 1nfr s ILE 176 Cb 0.00 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 1nfr s ILE 176 CO 0.00 0.46 0.26 -0.13 0.00 0.00 0.00 174.94 175.53 1nfr s ARG 177 N 0.64 3.52 -0.06 2.79 0.52 0.05 -3.53 118.95 122.89 1nfr s ARG 177 Ca -0.01 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 54.94 1nfr s ARG 177 Cb -0.14 -3.01 0.03 0.00 0.52 0.00 0.00 34.95 32.35 1nfr s ARG 177 CO 0.02 0.59 0.02 0.08 0.02 0.00 0.00 175.30 176.04 1nfr s VAL 178 N -1.47 0.18 0.11 3.52 1.01 -1.26 -0.19 120.40 122.30 1nfr s VAL 178 Ca 0.33 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.57 1nfr s VAL 178 Cb -0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1nfr s VAL 178 CO 0.23 0.22 -0.08 0.20 0.00 0.00 0.00 175.10 175.66 1nfr s ASN 179 N 1.93 1.37 -0.01 3.32 0.01 -0.59 0.14 114.94 121.12 1nfr s ASN 179 Ca 0.03 -0.93 0.06 0.00 -0.71 0.00 0.00 52.86 51.31 1nfr s ASN 179 Cb -0.12 0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.55 1nfr s ASN 179 CO -0.04 -0.36 -0.17 -0.94 -1.51 0.00 0.00 177.10 174.08 1nfr s SER 180 N -2.82 3.81 -0.12 -1.22 1.04 -0.33 -1.31 113.70 112.75 1nfr s SER 180 Ca 0.10 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.18 1nfr s SER 180 Cb 0.01 -0.68 -0.03 0.00 0.10 0.00 0.00 66.02 65.42 1nfr s SER 180 CO -0.02 0.30 -0.04 -0.63 0.98 0.00 0.00 173.24 173.84 1nfr s ILE 181 N -0.80 3.93 -0.61 -1.02 1.01 -0.07 -0.82 121.20 122.82 1nfr s ILE 181 Ca 0.13 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1nfr s ILE 181 Cb -0.10 -2.68 0.16 0.00 0.01 0.00 0.00 42.46 39.84 1nfr s ILE 181 CO 0.02 0.54 0.40 -1.00 0.00 0.00 0.00 174.94 174.90 1nfr s HIS 182 N -0.15 3.13 0.53 3.97 3.76 -0.23 -0.16 115.29 126.14 1nfr s HIS 182 Ca 0.03 -3.14 -0.07 0.00 -0.15 0.00 0.00 55.06 51.73 1nfr s HIS 182 Cb -0.13 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 1nfr s HIS 182 CO 0.02 -0.64 0.87 -1.25 -0.85 0.00 0.00 174.74 172.89 1nfr s PRO 183 N -0.87 3.57 0.00 8.40 0.04 -1.26 -2.40 135.00 142.48 1nfr s PRO 183 Ca 0.23 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1nfr s PRO 183 Cb -0.11 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1nfr s PRO 183 CO -0.11 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1nfr n GLY 184 N -2.40 1.44 3.66 0.56 0.00 -0.87 -2.27 105.19 105.32 1nfr n GLY 184 Ca 0.02 -1.69 -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 4.31 -0.04 0.99 2.96 -1.26 -4.93 118.68 120.70 1nfr s LEU 185 Ca 0.00 2.17 0.05 0.00 -0.22 0.00 0.00 54.13 56.13 1nfr s LEU 185 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 1nfr s LEU 185 CO 0.00 -0.89 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.28 1nfr s VAL 186 N 3.76 2.76 -0.69 1.68 1.01 -1.26 -0.74 120.40 126.92 1nfr s VAL 186 Ca 0.70 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 1nfr s VAL 186 Cb -0.32 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1nfr s VAL 186 CO 0.28 0.58 1.72 -0.54 0.00 0.00 0.00 175.10 177.14 1nfr s LYS 187 N -0.71 2.79 0.25 2.72 1.02 -0.13 -4.72 119.74 120.96 1nfr s LYS 187 Ca 0.11 0.24 -0.05 0.00 0.02 0.00 0.00 55.97 56.29 1nfr s LYS 187 Cb -0.10 -4.45 -0.02 0.00 -0.52 0.00 0.00 37.83 32.73 1nfr s LYS 187 CO 0.00 -2.65 0.32 0.95 -0.92 0.00 0.00 175.35 173.06 1nfr s THR 188 N 8.24 0.00 0.00 2.17 -4.23 -1.26 -4.51 115.64 116.05 1nfr s THR 188 Ca 0.59 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1nfr s THR 188 Cb -0.10 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1nfr s THR 188 CO 0.16 0.00 0.69 -0.81 -0.54 0.00 0.00 174.62 174.12 1nfr n PRO 189 N -0.38 0.20 0.00 3.99 -0.04 -1.26 -1.55 135.00 135.95 1nfr n PRO 189 Ca 0.01 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1nfr n PRO 189 Cb 0.64 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 2.68 0.00 0.30 0.52 -2.24 -1.26 -4.74 114.28 109.54 1nfr n THR 191 Ca 0.04 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.01 1nfr n THR 191 Cb 0.09 -0.02 1.05 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.07 3.42 3.04 -1.63 0.28 116.42 121.60 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 -0.09 -2.67 -2.04 0.00 0.00 179.24 174.44 1nfr n TRP 193 N -2.87 0.00 -3.83 4.15 4.27 -1.26 -4.86 117.44 113.04 1nfr n TRP 193 Ca -0.02 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.22 1nfr n TRP 193 Cb 0.07 -0.04 -0.06 0.00 -1.36 0.00 0.00 31.31 29.91 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 -2.18 5.46 0.20 -1.67 1.01 0.98 -5.07 120.40 119.14 1nfr s VAL 194 Ca 0.33 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1nfr s VAL 194 Cb 0.20 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 1nfr s VAL 194 CO 0.40 0.59 1.41 -2.16 0.00 0.00 0.00 175.10 175.34 1nfr s PRO 195 N -0.81 4.30 0.55 2.72 0.04 -1.26 -4.90 135.00 135.64 1nfr s PRO 195 Ca 0.15 2.19 0.26 0.00 0.04 0.00 0.00 61.00 63.64 1nfr s PRO 195 Cb -0.12 -3.17 1.46 0.00 0.04 0.00 0.00 34.50 32.71 1nfr s PRO 195 CO 0.04 -0.40 2.01 0.93 0.04 0.00 0.00 177.00 179.61 1nfr h GLU 196 N 5.75 0.00 -0.79 4.56 5.08 -1.96 -1.94 114.58 125.27 1nfr h GLU 196 Ca -0.44 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.46 1nfr h GLU 196 Cb 1.21 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.21 1nfr h GLU 196 CO 0.81 0.00 0.37 -0.40 -1.00 0.00 0.00 179.01 178.79 1nfr n ASP 197 N -4.17 4.33 0.20 1.42 5.75 -1.26 -3.85 116.55 118.97 1nfr n ASP 197 Ca 0.07 -3.72 0.06 0.00 -0.01 0.00 0.00 54.79 51.20 1nfr n ASP 197 Cb 0.53 -0.77 0.41 0.00 -1.03 0.00 0.00 41.12 40.26 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 1.10 0.90 -3.00 2.12 2.10 -1.74 -3.44 117.51 115.56 1nfr h ILE 198 Ca 0.49 -1.30 -0.62 0.00 1.08 0.00 0.00 64.86 64.50 1nfr h ILE 198 Cb 1.96 1.78 -0.06 0.00 -1.09 0.00 0.00 36.82 39.42 1nfr h ILE 198 CO 0.98 0.32 -0.54 -0.36 -1.08 0.00 0.00 178.15 177.48 1nfr s PHE 199 N -3.82 3.39 -0.83 2.19 2.99 -1.26 -5.03 117.98 115.60 1nfr s PHE 199 Ca -0.01 0.18 -0.24 0.00 0.00 0.00 0.00 56.93 56.86 1nfr s PHE 199 Cb 0.12 -1.70 0.05 0.00 0.00 0.00 0.00 43.02 41.49 1nfr s PHE 199 CO 0.68 0.56 1.25 -0.65 -0.00 0.00 0.00 175.22 177.06 1nfr s GLN 200 N -2.50 3.34 0.24 0.44 -0.21 -1.26 -4.99 119.66 114.72 1nfr s GLN 200 Ca 0.33 -0.78 0.06 0.00 0.02 0.00 0.00 55.36 54.99 1nfr s GLN 200 Cb -0.13 -4.61 -0.03 0.00 1.00 0.00 0.00 33.01 29.24 1nfr s GLN 200 CO 0.26 -2.06 0.25 0.95 -2.12 0.00 0.00 175.29 172.57 1nfr s THR 201 N 4.86 4.77 -0.02 -0.19 -4.23 -1.26 -3.93 115.64 115.64 1nfr s THR 201 Ca 0.35 -1.21 0.12 0.00 -1.18 0.00 0.00 61.69 59.77 1nfr s THR 201 Cb -0.07 -3.57 -0.20 0.00 1.34 0.00 0.00 72.50 70.00 1nfr s THR 201 CO 0.04 -0.32 0.89 0.00 -0.54 0.00 0.00 174.62 174.69 1nfr h ALA 202 N 1.45 0.64 0.00 3.99 0.00 -0.75 -3.31 119.26 121.28 1nfr h ALA 202 Ca -0.50 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.23 1nfr h ALA 202 Cb 1.23 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1nfr h ALA 202 CO 0.61 1.36 0.00 1.28 0.00 0.00 0.00 179.25 182.50 1nfr n LEU 203 N -3.11 0.58 -1.80 0.00 4.77 -1.06 -4.95 117.00 111.44 1nfr n LEU 203 Ca -0.10 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1nfr n LEU 203 Cb 0.98 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 1nfr n LEU 203 CO 0.45 -0.17 -0.04 0.61 -1.33 0.00 0.00 177.39 176.90 1nfr n GLY 204 N 1.20 -0.08 3.60 -0.72 0.00 -1.25 -5.01 105.19 102.94 1nfr n GLY 204 Ca 0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.07 0.94 0.70 1.61 1.70 -1.26 -5.06 118.95 112.51 1nfr s ARG 205 Ca 0.13 -0.43 -0.08 0.00 -0.47 0.00 0.00 55.73 54.89 1nfr s ARG 205 Cb -0.06 0.38 0.05 0.00 -0.57 0.00 0.00 34.95 34.75 1nfr s ARG 205 CO 0.17 -0.42 1.02 0.00 -1.08 0.00 0.00 175.30 174.99 1nfr s ALA 206 N -3.15 3.09 0.17 7.88 0.00 -1.25 -4.95 121.76 123.55 1nfr s ALA 206 Ca 0.08 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1nfr s ALA 206 Cb -0.01 -2.69 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 1nfr s ALA 206 CO -0.05 -1.24 0.49 0.00 0.00 0.00 0.00 175.76 174.96 1nfr s ALA 207 N -3.25 3.64 0.15 0.00 0.00 0.08 -4.94 121.76 117.44 1nfr s ALA 207 Ca 0.59 -0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 1nfr s ALA 207 Cb -0.11 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.59 1nfr s ALA 207 CO 0.46 0.55 0.60 -1.21 0.00 0.00 0.00 175.76 176.15 1nfr s GLU 208 N -2.51 4.09 0.42 0.00 0.41 -1.26 -0.96 118.70 118.89 1nfr s GLU 208 Ca 0.42 0.63 0.15 0.00 -0.41 0.00 0.00 54.97 55.76 1nfr s GLU 208 Cb -0.12 -2.99 1.01 0.00 -1.78 0.00 0.00 34.13 30.25 1nfr s GLU 208 CO 0.21 0.49 1.91 -1.00 -0.49 0.00 0.00 175.26 176.39 1nfr h PRO 209 N 3.74 0.45 0.00 0.39 0.13 -1.95 -1.31 132.00 133.44 1nfr h PRO 209 Ca -0.49 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1nfr h PRO 209 Cb 1.20 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1nfr h PRO 209 CO 0.65 0.29 -0.14 -0.24 -0.23 0.00 0.00 178.00 178.33 1nfr h VAL 210 N 0.46 0.97 0.00 1.56 3.04 -1.93 -1.92 116.25 118.43 1nfr h VAL 210 Ca 0.38 -0.51 -0.03 0.00 -1.01 0.00 0.00 66.70 65.53 1nfr h VAL 210 Cb 0.82 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1nfr h VAL 210 CO -0.13 0.14 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.09 1nfr h GLU 211 N 0.00 0.00 0.09 4.17 5.08 -1.63 0.37 114.58 122.66 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 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1nfr h GLU 211 CO 0.02 0.15 -1.62 0.28 -1.00 0.00 0.00 179.01 176.84 1nfr h VAL 212 N 0.00 1.03 -0.80 3.13 2.07 -1.46 -3.32 116.25 116.90 1nfr h VAL 212 Ca -0.00 -2.72 0.02 0.00 0.82 0.00 0.00 66.70 64.82 1nfr h VAL 212 Cb 0.31 2.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 1nfr h VAL 212 CO 0.02 0.78 0.53 0.28 0.02 0.00 0.00 177.57 179.19 1nfr h SER 213 N 0.05 0.88 -0.76 0.57 0.02 -0.79 -0.04 113.55 113.48 1nfr h SER 213 Ca -0.27 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.71 1nfr h SER 213 Cb 2.01 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 64.29 1nfr h SER 213 CO 0.13 0.62 0.50 0.78 -1.14 0.00 0.00 176.83 177.73 1nfr h ASN 214 N 1.03 0.77 0.36 3.07 2.35 -1.05 0.18 115.58 122.29 1nfr h ASN 214 Ca 0.31 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.89 1nfr h ASN 214 Cb -0.04 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1nfr h ASN 214 CO -0.08 0.51 -0.66 0.25 -1.65 0.00 0.00 177.43 175.80 1nfr h LEU 215 N 0.88 0.32 -0.49 1.61 5.85 -1.17 -2.36 115.31 119.95 1nfr h LEU 215 Ca 0.32 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1nfr h LEU 215 Cb 0.14 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1nfr h LEU 215 CO -0.10 0.89 0.01 0.58 -0.34 0.00 0.00 178.44 179.48 1nfr h VAL 216 N 0.19 1.26 -0.71 1.05 2.07 0.53 -2.01 116.25 118.63 1nfr h VAL 216 Ca -0.01 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1nfr h VAL 216 Cb 1.20 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1nfr h VAL 216 CO 0.10 0.37 0.26 0.58 0.02 0.00 0.00 177.57 178.90 1nfr h VAL 217 N 0.71 1.25 0.17 2.57 2.07 -0.67 -0.13 116.25 122.22 1nfr h VAL 217 Ca 0.14 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1nfr h VAL 217 Cb 0.49 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1nfr h VAL 217 CO 0.02 0.33 -0.08 0.22 0.02 0.00 0.00 177.57 178.08 1nfr h TYR 218 N 1.03 -0.21 0.00 1.57 3.20 -1.21 0.75 116.97 122.10 1nfr h TYR 218 Ca 0.23 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1nfr h TYR 218 Cb 0.25 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1nfr h TYR 218 CO 0.02 -0.11 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.14 1nfr h LEU 219 N -0.26 0.00 -0.26 2.82 3.38 -1.26 -2.42 115.31 117.32 1nfr h LEU 219 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1nfr h LEU 219 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1nfr h LEU 219 CO 0.04 0.22 -0.83 0.00 0.09 0.00 0.00 178.44 177.95 1nfr h ALA 220 N 1.78 0.58 -2.49 1.53 0.00 -0.63 -3.46 119.26 116.57 1nfr h ALA 220 Ca -0.00 -0.76 -0.46 0.00 0.00 0.00 0.00 54.91 53.69 1nfr h ALA 220 Cb 0.43 -0.13 0.12 0.00 0.00 0.00 0.00 17.79 18.20 1nfr h ALA 220 CO 0.03 1.04 0.37 -1.54 0.00 0.00 0.00 179.25 179.15 1nfr s SER 221 N -6.73 3.93 0.00 0.00 1.04 0.22 -4.88 113.70 107.29 1nfr s SER 221 Ca 0.00 0.76 0.27 0.00 0.48 0.00 0.00 55.95 57.46 1nfr s SER 221 Cb 0.11 -1.21 1.49 0.00 0.10 0.00 0.00 66.02 66.51 1nfr s SER 221 CO 0.79 -2.26 1.97 0.47 0.98 0.00 0.00 173.24 175.19 1nfr n ASP 222 N -3.55 0.30 -0.09 7.02 8.00 -1.26 -3.56 116.55 123.41 1nfr n ASP 222 Ca 0.09 -1.23 0.06 0.00 0.71 0.00 0.00 54.79 54.41 1nfr n ASP 222 Cb 0.60 -0.01 0.31 0.00 -0.02 0.00 0.00 41.12 42.00 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 -0.70 1.11 -0.55 -1.24 4.71 -1.26 -2.61 120.64 120.09 1nfr n GLU 223 Ca 0.20 -0.17 0.06 0.00 -0.01 0.00 0.00 57.16 57.24 1nfr n GLU 223 Cb 0.14 -1.19 0.12 0.00 -1.01 0.00 0.00 31.44 29.50 1nfr n GLU 223 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1nfr n SER 224 N -0.51 1.51 0.16 1.62 3.41 -1.23 -4.87 113.62 113.71 1nfr n SER 224 Ca 0.09 -2.98 0.19 0.00 -0.26 0.00 0.00 58.87 55.91 1nfr n SER 224 Cb 0.08 -0.40 0.75 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.48 0.00 -0.43 4.04 4.64 -1.74 -1.16 113.55 119.38 1nfr h SER 225 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1nfr h SER 225 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1nfr h SER 225 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1nfr n TYR 226 N -3.44 0.56 -3.82 4.77 9.36 -1.26 -4.92 117.16 118.41 1nfr n TYR 226 Ca 0.05 -0.40 -0.36 0.00 3.32 0.00 0.00 57.90 60.51 1nfr n TYR 226 Cb 0.57 -0.01 -0.11 0.00 -0.63 0.00 0.00 39.34 39.17 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 -1.08 5.63 -0.27 2.98 0.01 -0.44 -5.07 113.70 115.46 1nfr s SER 227 Ca 0.32 -0.00 -0.24 0.00 1.31 0.00 0.00 55.95 57.34 1nfr s SER 227 Cb 0.17 -2.00 0.07 0.00 0.21 0.00 0.00 66.02 64.48 1nfr s SER 227 CO 0.23 0.07 0.72 0.28 0.41 0.00 0.00 173.24 174.95 1nfr s THR 228 N 1.02 0.00 -0.01 1.44 -1.32 -1.26 -4.71 115.64 110.80 1nfr s THR 228 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1nfr s THR 228 Cb -0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1nfr s THR 228 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1nfr n GLY 229 N 2.91 0.47 3.91 6.08 0.00 0.38 -4.94 105.19 114.01 1nfr n GLY 229 Ca -0.15 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.99 3.81 -0.25 4.61 0.00 -1.26 -4.68 121.76 122.00 1nfr s ALA 230 Ca 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 51.96 50.61 1nfr s ALA 230 Cb 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 1nfr s ALA 230 CO 0.00 0.29 0.10 -1.21 0.00 0.00 0.00 175.76 174.94 1nfr s GLU 231 N -3.82 3.76 -0.36 0.00 2.02 -1.26 -1.18 118.70 117.86 1nfr s GLU 231 Ca 0.34 -0.42 -0.08 0.00 0.02 0.00 0.00 54.97 54.82 1nfr s GLU 231 Cb -0.09 -3.42 0.04 0.00 0.10 0.00 0.00 34.13 30.76 1nfr s GLU 231 CO 0.27 -0.16 0.15 -0.06 0.02 0.00 0.00 175.26 175.48 1nfr s PHE 232 N 1.58 3.26 -0.09 1.61 0.40 0.00 -4.99 117.98 119.75 1nfr s PHE 232 Ca 0.06 -1.32 -0.18 0.00 -0.60 0.00 0.00 56.93 54.90 1nfr s PHE 232 Cb -0.15 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 1nfr s PHE 232 CO 0.06 -0.72 0.48 0.08 0.70 0.00 0.00 175.22 175.82 1nfr s VAL 233 N 1.44 5.14 -0.47 -0.44 1.01 -1.26 -1.07 120.40 124.76 1nfr s VAL 233 Ca -0.00 0.97 0.05 0.00 0.00 0.00 0.00 61.98 63.00 1nfr s VAL 233 Cb -0.20 -3.82 0.18 0.00 0.00 0.00 0.00 36.38 32.54 1nfr s VAL 233 CO 0.04 0.36 0.39 0.55 0.00 0.00 0.00 175.10 176.44 1nfr n VAL 234 N 3.38 -0.60 -0.88 2.92 3.14 -1.01 -4.93 118.33 120.36 1nfr n VAL 234 Ca -0.08 -3.76 0.02 0.00 -2.96 0.00 0.00 64.34 57.56 1nfr n VAL 234 Cb 0.52 -1.78 0.03 0.00 -1.06 0.00 0.00 33.84 31.55 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 2.54 1.22 -0.50 6.55 5.75 -1.26 -2.05 116.55 128.80 1nfr n ASP 235 Ca 0.28 -2.02 -0.06 0.00 -0.01 0.00 0.00 54.79 52.97 1nfr n ASP 235 Cb 0.46 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 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 -0.51 0.76 0.00 6.12 0.00 -1.26 -3.20 105.19 107.10 1nfr n GLY 236 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.75 0.73 0.48 -0.02 0.00 -1.26 -0.10 105.19 104.27 1nfr n GLY 237 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 0.07 0.00 2.61 2.02 -1.67 -2.61 112.91 113.33 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 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 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 -5.55 0.65 0.75 3.16 0.24 -1.26 -2.10 118.33 114.22 1nfr n VAL 239 Ca -0.12 0.16 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1nfr n VAL 239 Cb 0.45 -0.90 0.40 0.00 -1.47 0.00 0.00 33.84 32.32 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 -1.34 2.54 -2.62 2.33 0.00 -0.99 -4.88 120.51 115.54 1nfr n ALA 240 Ca 0.06 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1nfr n ALA 240 Cb 0.14 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.39 2.78 -0.04 0.00 0.00 -0.89 -5.14 107.32 100.64 1nfr s GLY 241 Ca 0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.13 1nfr s GLY 241 CO 0.61 -2.10 0.10 1.08 0.00 0.00 0.00 173.10 172.79 1nfr s LEU 242 N -4.04 4.01 -0.45 0.66 1.43 -1.26 -5.03 118.68 114.00 1nfr s LEU 242 Ca 0.16 0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.22 1nfr s LEU 242 Cb -0.00 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1nfr s LEU 242 CO 0.10 0.31 1.82 0.00 0.23 0.00 0.00 176.35 178.81 1nfr s ALA 243 N -1.14 2.56 0.17 4.21 0.00 -1.26 -4.98 121.76 121.31 1nfr s ALA 243 Ca 0.21 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1nfr s ALA 243 Cb -0.12 -4.14 -0.03 0.00 0.00 0.00 0.00 23.12 18.83 1nfr s ALA 243 CO 0.11 -3.18 0.27 -1.01 0.00 0.00 0.00 175.76 171.95 1nfr s HIS 244 N 7.86 3.41 -2.69 0.00 0.09 -1.26 -5.26 115.29 117.45 1nfr s HIS 244 Ca 0.74 0.06 0.27 0.00 -0.00 0.00 0.00 55.06 56.13 1nfr s HIS 244 Cb -0.18 -1.61 0.73 0.00 -0.00 0.00 0.00 32.58 31.52 1nfr s HIS 244 CO 0.28 0.50 1.56 0.09 -0.00 0.00 0.00 174.74 177.18