#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1a s GLU 3 N 0.00 1.02 0.23 4.33 8.01 -1.26 -5.12 118.70 125.92 3m1a s GLU 3 Ca 0.00 -0.86 -0.30 0.00 0.01 0.00 0.00 54.97 53.82 3m1a s GLU 3 Cb 0.00 -1.08 -0.09 0.00 -4.31 0.00 0.00 34.13 28.64 3m1a s GLU 3 CO 0.00 0.26 1.37 0.45 0.01 0.00 0.00 175.26 177.35 3m1a s SER 4 N -1.31 6.78 0.33 -0.19 0.15 -1.26 -5.00 113.70 113.20 3m1a s SER 4 Ca 0.03 2.53 -0.27 0.00 0.70 0.00 0.00 55.95 58.94 3m1a s SER 4 Cb -0.09 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.51 3m1a s SER 4 CO 0.02 -0.61 1.07 0.00 1.20 0.00 0.00 173.24 174.92 3m1a s ALA 5 N 0.02 3.25 0.37 5.45 0.00 -1.26 -5.00 121.76 124.59 3m1a s ALA 5 Ca 0.58 0.80 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 3m1a s ALA 5 Cb -0.39 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.32 3m1a s ALA 5 CO 0.41 -0.17 1.46 0.15 0.00 0.00 0.00 175.76 177.61 3m1a s LYS 6 N -1.92 4.14 -0.31 0.00 -0.14 -1.26 -4.71 119.74 115.55 3m1a s LYS 6 Ca 0.50 2.53 -0.09 0.00 -1.36 0.00 0.00 55.97 57.55 3m1a s LYS 6 Cb -0.27 -2.98 -0.00 0.00 -1.68 0.00 0.00 37.83 32.90 3m1a s LYS 6 CO 0.35 -0.49 0.14 0.08 -0.76 0.00 0.00 175.35 174.67 3m1a s VAL 7 N -1.12 4.46 -0.14 3.17 1.01 -1.26 -1.05 120.40 125.47 3m1a s VAL 7 Ca 0.52 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3m1a s VAL 7 Cb -0.46 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3m1a s VAL 7 CO 0.62 0.05 0.06 0.26 0.00 0.00 0.00 175.10 176.09 3m1a s TRP 8 N 1.59 3.29 -0.25 5.22 0.52 0.77 -0.41 118.94 129.67 3m1a s TRP 8 Ca 0.04 0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.37 3m1a s TRP 8 Cb -0.17 -1.95 0.04 0.00 -1.15 0.00 0.00 33.47 30.24 3m1a s TRP 8 CO 0.05 0.38 -0.09 -1.17 0.02 0.00 0.00 176.95 176.14 3m1a s LEU 9 N -0.34 3.27 -0.27 2.99 2.96 0.58 -0.64 118.68 127.24 3m1a s LEU 9 Ca 0.09 -1.14 -0.04 0.00 -0.22 0.00 0.00 54.13 52.82 3m1a s LEU 9 Cb -0.12 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.99 3m1a s LEU 9 CO 0.02 -0.16 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.20 3m1a s VAL 10 N 1.21 3.33 0.30 1.68 1.01 0.35 -0.96 120.40 127.32 3m1a s VAL 10 Ca -0.04 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3m1a s VAL 10 Cb -0.18 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 3m1a s VAL 10 CO -0.05 0.14 0.82 0.42 0.00 0.00 0.00 175.10 176.43 3m1a s THR 11 N 1.40 4.46 -1.34 3.92 -4.23 -0.82 -0.67 115.64 118.36 3m1a s THR 11 Ca 0.01 1.40 -0.05 0.00 -1.18 0.00 0.00 61.69 61.87 3m1a s THR 11 Cb -0.17 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.87 3m1a s THR 11 CO -0.01 0.04 0.99 0.61 -0.54 0.00 0.00 174.62 175.71 3m1a n GLY 12 N 0.28 -0.43 0.31 3.99 0.00 -0.86 -2.65 105.19 105.83 3m1a n GLY 12 Ca 0.01 0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.35 3m1a n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1a n ALA 13 N -4.54 2.61 0.14 4.61 0.00 -0.62 -4.31 120.51 118.40 3m1a n ALA 13 Ca -0.14 -0.36 0.02 0.00 0.00 0.00 0.00 53.44 52.96 3m1a n ALA 13 Cb 0.61 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.85 3m1a n ALA 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3m1a h SER 14 N 1.49 0.00 -5.13 0.00 4.64 -1.89 -3.13 113.55 109.54 3m1a h SER 14 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3m1a h SER 14 Cb 0.32 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.26 3m1a h SER 14 CO 0.00 0.56 -0.62 -0.94 -0.87 0.00 0.00 176.83 174.96 3m1a s SER 15 N -6.50 0.59 0.94 4.97 1.04 -1.26 -4.80 113.70 108.67 3m1a s SER 15 Ca 0.03 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.07 3m1a s SER 15 Cb 0.09 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3m1a s SER 15 CO 0.74 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.78 3m1a n GLY 16 N -0.35 2.08 0.32 7.32 0.00 0.17 -2.58 105.19 112.15 3m1a n GLY 16 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3m1a n GLY 16 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m1a h PHE 17 N 0.00 1.00 -0.93 1.61 3.57 -1.91 -1.41 116.94 118.87 3m1a h PHE 17 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3m1a h PHE 17 Cb 0.00 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.37 3m1a h PHE 17 CO 0.00 0.52 0.62 0.78 -2.23 0.00 0.00 178.31 178.00 3m1a h GLY 18 N 1.00 1.31 1.48 2.40 0.00 -1.76 -1.01 103.07 106.49 3m1a h GLY 18 Ca 0.37 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 3m1a h GLY 18 CO -0.16 0.48 -0.20 -0.09 0.00 0.00 0.00 176.54 176.57 3m1a h ARG 19 N 1.27 0.60 -0.47 4.80 9.65 -1.01 -0.47 114.38 128.75 3m1a h ARG 19 Ca 0.34 -0.22 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 3m1a h ARG 19 Cb -0.15 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 3m1a h ARG 19 CO -0.07 0.77 0.03 0.00 2.80 0.00 0.00 179.97 183.50 3m1a h ALA 20 N 1.24 1.18 -0.07 2.80 0.00 -0.99 -0.05 119.26 123.37 3m1a h ALA 20 Ca 0.08 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3m1a h ALA 20 Cb 0.65 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3m1a h ALA 20 CO 0.05 0.54 -0.43 0.82 0.00 0.00 0.00 179.25 180.23 3m1a h ILE 21 N 0.71 1.41 -0.53 0.00 2.04 -0.73 -1.30 117.51 119.10 3m1a h ILE 21 Ca 0.15 -1.83 0.03 0.00 1.00 0.00 0.00 64.86 64.21 3m1a h ILE 21 Cb 0.39 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 3m1a h ILE 21 CO 0.01 0.53 0.30 0.00 0.00 0.00 0.00 178.15 179.00 3m1a h ALA 22 N 0.42 0.69 -0.31 1.87 0.00 -1.11 -1.50 119.26 119.31 3m1a h ALA 22 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3m1a h ALA 22 Cb 1.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3m1a h ALA 22 CO 0.09 -0.01 0.19 1.49 0.00 0.00 0.00 179.25 181.01 3m1a h GLU 23 N 0.59 0.37 -0.72 0.00 4.57 -0.99 -2.05 114.58 116.35 3m1a h GLU 23 Ca 0.22 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.45 3m1a h GLU 23 Cb 0.07 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 3m1a h GLU 23 CO -0.12 0.25 0.40 0.00 -1.18 0.00 0.00 179.01 178.35 3m1a h ALA 24 N 1.13 0.99 -0.09 2.92 0.00 -0.98 -1.33 119.26 121.90 3m1a h ALA 24 Ca 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3m1a h ALA 24 Cb -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3m1a h ALA 24 CO -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 3m1a h ALA 25 N 1.39 0.12 -0.44 0.00 0.00 -1.03 -2.74 119.26 116.57 3m1a h ALA 25 Ca 0.34 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3m1a h ALA 25 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3m1a h ALA 25 CO -0.22 -0.17 -0.06 -0.39 0.00 0.00 0.00 179.25 178.42 3m1a h VAL 26 N -0.14 1.25 0.00 0.00 -1.51 -1.22 -0.49 116.25 114.14 3m1a h VAL 26 Ca 0.02 -1.07 -0.01 0.00 -1.23 0.00 0.00 66.70 64.41 3m1a h VAL 26 Cb 0.39 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 30.53 3m1a h VAL 26 CO 0.01 0.37 -0.06 0.00 -1.23 0.00 0.00 177.57 176.66 3m1a h ALA 27 N 1.24 1.01 -0.05 5.19 0.00 -1.27 -2.26 119.26 123.12 3m1a h ALA 27 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m1a h ALA 27 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3m1a h ALA 27 CO 0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3m1a n ALA 28 N -2.13 2.55 -0.06 0.00 0.00 -0.92 -4.94 120.51 115.02 3m1a n ALA 28 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3m1a n ALA 28 Cb 0.35 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3m1a n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1a n GLY 29 N 1.18 0.50 3.79 0.00 0.00 -0.85 -5.08 105.19 104.74 3m1a n GLY 29 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3m1a n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m1a s ASP 30 N -2.92 4.82 -0.14 1.61 -0.00 -0.24 -4.82 116.67 114.99 3m1a s ASP 30 Ca 0.00 1.68 -0.18 0.00 -0.00 0.00 0.00 52.55 54.05 3m1a s ASP 30 Cb 0.00 -2.46 -0.04 0.00 -0.00 0.00 0.00 42.92 40.42 3m1a s ASP 30 CO 0.00 -1.81 0.48 -0.89 -0.00 0.00 0.00 175.17 172.95 3m1a s THR 31 N -2.98 5.17 -0.11 -1.27 2.01 -0.21 -4.38 115.64 113.87 3m1a s THR 31 Ca 0.60 0.94 0.02 0.00 0.31 0.00 0.00 61.69 63.56 3m1a s THR 31 Cb -0.16 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.55 3m1a s THR 31 CO 0.56 0.29 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.90 3m1a s VAL 32 N 0.86 1.71 -0.35 3.82 1.01 0.07 -0.16 120.40 127.36 3m1a s VAL 32 Ca 0.25 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 3m1a s VAL 32 Cb -0.15 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.72 3m1a s VAL 32 CO 0.10 0.48 0.18 -0.63 0.00 0.00 0.00 175.10 175.23 3m1a s ILE 33 N 0.76 4.49 -0.11 2.22 1.09 0.19 -1.13 121.20 128.71 3m1a s ILE 33 Ca -0.10 -0.75 -0.08 0.00 -1.10 0.00 0.00 60.65 58.62 3m1a s ILE 33 Cb -0.16 -3.44 -0.04 0.00 -1.06 0.00 0.00 42.46 37.76 3m1a s ILE 33 CO 0.01 -0.13 0.18 -0.83 -0.10 0.00 0.00 174.94 174.07 3m1a s GLY 34 N 1.56 2.19 0.23 6.18 0.00 -0.04 -0.49 107.32 116.95 3m1a s GLY 34 Ca 0.03 -0.59 0.10 0.00 0.00 0.00 0.00 44.72 44.25 3m1a s GLY 34 CO 0.06 -0.26 -0.07 -0.51 0.00 0.00 0.00 173.10 172.32 3m1a s THR 35 N -0.91 3.21 -0.01 0.90 -4.23 0.16 -1.55 115.64 113.21 3m1a s THR 35 Ca 0.16 -1.88 -0.28 0.00 -1.18 0.00 0.00 61.69 58.51 3m1a s THR 35 Cb -0.13 -2.66 0.10 0.00 1.34 0.00 0.00 72.50 71.16 3m1a s THR 35 CO 0.05 -0.27 0.86 0.00 -0.54 0.00 0.00 174.62 174.72 3m1a s ALA 36 N -2.09 -1.81 0.34 3.99 0.00 -1.04 -1.58 121.76 119.57 3m1a s ALA 36 Ca 0.28 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.30 3m1a s ALA 36 Cb -0.07 0.33 0.61 0.00 0.00 0.00 0.00 23.12 23.99 3m1a s ALA 36 CO 0.17 -0.64 2.00 0.00 0.00 0.00 0.00 175.76 177.29 3m1a h ARG 37 N 2.10 0.87 -5.15 0.00 3.08 -1.88 0.47 114.38 113.87 3m1a h ARG 37 Ca -0.23 -0.05 -0.67 0.00 0.07 0.00 0.00 59.98 59.09 3m1a h ARG 37 Cb 1.24 -0.20 -0.34 0.00 0.08 0.00 0.00 29.97 30.75 3m1a h ARG 37 CO 0.32 0.57 -0.86 1.03 -1.07 0.00 0.00 179.97 179.96 3m1a s ARG 38 N -5.75 3.02 0.44 0.04 0.52 -1.26 -4.32 118.95 111.63 3m1a s ARG 38 Ca -0.10 -0.84 0.16 0.00 -0.52 0.00 0.00 55.73 54.42 3m1a s ARG 38 Cb 0.18 -2.49 1.07 0.00 0.52 0.00 0.00 34.95 34.22 3m1a s ARG 38 CO 0.77 -0.08 1.95 1.79 0.02 0.00 0.00 175.30 179.75 3m1a h THR 39 N 5.86 0.84 0.00 0.02 1.35 -1.85 -0.26 112.91 118.86 3m1a h THR 39 Ca -0.37 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3m1a h THR 39 Cb 1.17 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3m1a h THR 39 CO 0.58 0.07 0.00 -0.33 -0.25 0.00 0.00 175.52 175.59 3m1a h GLU 40 N 0.38 0.00 0.00 4.72 3.07 -1.95 0.06 114.58 120.86 3m1a h GLU 40 Ca 0.32 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3m1a h GLU 40 Cb 0.71 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 3m1a h GLU 40 CO -0.09 0.00 -0.00 0.00 -1.40 0.00 0.00 179.01 177.52 3m1a h ALA 41 N 2.01 1.43 -0.58 3.43 0.00 -1.45 -2.71 119.26 121.39 3m1a h ALA 41 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m1a h ALA 41 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3m1a h ALA 41 CO 0.00 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.54 3m1a n LEU 42 N -3.71 4.02 -0.32 0.00 4.77 0.01 -4.71 117.00 117.05 3m1a n LEU 42 Ca -0.03 -2.23 0.12 0.00 -0.03 0.00 0.00 56.01 53.84 3m1a n LEU 42 Cb 0.09 -0.47 0.30 0.00 -2.33 0.00 0.00 43.42 41.01 3m1a n LEU 42 CO 0.26 0.85 1.13 0.44 -1.33 0.00 0.00 177.39 178.74 3m1a h ASP 43 N 3.53 0.59 -0.33 -1.43 3.32 -1.60 -0.97 116.42 119.53 3m1a h ASP 43 Ca 0.00 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3m1a h ASP 43 Cb 1.13 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 3m1a h ASP 43 CO 0.10 0.17 -0.01 -2.24 -1.72 0.00 0.00 179.24 175.53 3m1a h ASP 44 N 0.61 0.66 -0.07 6.45 3.04 -1.86 0.38 116.42 125.63 3m1a h ASP 44 Ca 0.55 -0.15 -0.02 0.00 -3.24 0.00 0.00 57.03 54.17 3m1a h ASP 44 Cb 0.92 -0.18 -0.00 0.00 -1.04 0.00 0.00 39.33 39.03 3m1a h ASP 44 CO -0.43 0.74 -0.04 0.25 -2.04 0.00 0.00 179.24 177.73 3m1a h LEU 45 N 0.65 0.15 -0.76 0.15 5.85 -1.55 -2.56 115.31 117.23 3m1a h LEU 45 Ca 0.13 -0.42 -0.10 0.00 0.84 0.00 0.00 57.88 58.32 3m1a h LEU 45 Cb 0.43 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3m1a h LEU 45 CO 0.02 0.54 -0.18 0.58 -0.34 0.00 0.00 178.44 179.06 3m1a h VAL 46 N -0.25 1.26 -0.72 1.05 2.07 -1.35 -0.39 116.25 117.94 3m1a h VAL 46 Ca 0.01 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3m1a h VAL 46 Cb 0.49 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3m1a h VAL 46 CO 0.01 0.42 0.43 0.00 0.02 0.00 0.00 177.57 178.45 3m1a h ALA 47 N 1.13 1.40 0.02 1.67 0.00 -0.95 -1.64 119.26 120.89 3m1a h ALA 47 Ca 0.10 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 3m1a h ALA 47 Cb 0.67 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3m1a h ALA 47 CO 0.05 0.52 -0.95 0.00 0.00 0.00 0.00 179.25 178.86 3m1a h ALA 48 N 1.48 0.39 -2.07 0.00 0.00 -1.01 -3.39 119.26 114.66 3m1a h ALA 48 Ca 0.26 -0.73 -0.57 0.00 0.00 0.00 0.00 54.91 53.86 3m1a h ALA 48 Cb -0.03 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.32 3m1a h ALA 48 CO -0.05 0.87 -0.91 0.66 0.00 0.00 0.00 179.25 179.81 3m1a n TYR 49 N -3.69 1.18 0.44 0.00 4.01 -0.20 -4.94 117.16 113.96 3m1a n TYR 49 Ca -0.06 -3.79 0.12 0.00 -0.16 0.00 0.00 57.90 54.01 3m1a n TYR 49 Cb 0.85 -0.43 0.48 0.00 -0.31 0.00 0.00 39.34 39.92 3m1a n TYR 49 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3m1a n PRO 50 N 1.16 0.21 -0.05 -0.72 -0.04 -0.64 -0.95 135.00 133.97 3m1a n PRO 50 Ca 0.25 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 3m1a n PRO 50 Cb 0.49 -1.86 -0.15 0.00 -0.04 0.00 0.00 33.50 31.93 3m1a n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3m1a n ASP 51 N -2.24 0.10 -0.00 3.54 10.43 -1.26 -4.63 116.55 122.48 3m1a n ASP 51 Ca 0.03 0.04 0.02 0.00 2.57 0.00 0.00 54.79 57.45 3m1a n ASP 51 Cb 0.26 1.33 -0.03 0.00 1.84 0.00 0.00 41.12 44.52 3m1a n ASP 51 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3m1a n ARG 52 N -2.56 4.63 -4.84 -1.24 1.74 -1.14 -5.01 116.66 108.24 3m1a n ARG 52 Ca -0.18 -0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.57 3m1a n ARG 52 Cb 0.87 -0.78 -0.13 0.00 -1.02 0.00 0.00 32.46 31.40 3m1a n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m1a s ALA 53 N -1.57 2.69 -0.00 7.54 0.00 -0.13 -0.75 121.76 129.54 3m1a s ALA 53 Ca 0.01 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3m1a s ALA 53 Cb 0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 3m1a s ALA 53 CO 0.19 0.51 -0.11 -2.00 0.00 0.00 0.00 175.76 174.34 3m1a s GLU 54 N -0.56 0.89 -0.22 0.00 2.12 -0.28 -4.73 118.70 115.93 3m1a s GLU 54 Ca 0.08 -0.45 -0.08 0.00 0.36 0.00 0.00 54.97 54.88 3m1a s GLU 54 Cb -0.12 -0.87 -0.04 0.00 0.26 0.00 0.00 34.13 33.37 3m1a s GLU 54 CO 0.01 0.23 0.07 0.00 -0.54 0.00 0.00 175.26 175.04 3m1a s ALA 55 N -0.36 3.29 -0.01 6.30 0.00 -1.26 -0.86 121.76 128.87 3m1a s ALA 55 Ca 0.04 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.12 3m1a s ALA 55 Cb -0.05 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 3m1a s ALA 55 CO -0.00 -0.17 -0.20 0.42 0.00 0.00 0.00 175.76 175.80 3m1a s ILE 56 N 1.03 1.61 -0.12 0.00 1.01 -0.60 -4.93 121.20 119.19 3m1a s ILE 56 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 3m1a s ILE 56 Cb -0.14 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3m1a s ILE 56 CO 0.03 0.41 1.15 -0.55 0.00 0.00 0.00 174.94 175.98 3m1a s SER 57 N -0.60 7.07 -0.20 3.58 0.15 -1.26 -2.51 113.70 119.93 3m1a s SER 57 Ca 0.08 1.65 -0.08 0.00 0.70 0.00 0.00 55.95 58.29 3m1a s SER 57 Cb -0.08 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 61.76 3m1a s SER 57 CO -0.00 -0.62 0.44 -0.22 1.20 0.00 0.00 173.24 174.04 3m1a s LEU 58 N 2.68 -0.52 -0.38 3.45 2.96 0.15 -4.89 118.68 122.13 3m1a s LEU 58 Ca 0.52 1.02 -0.14 0.00 -0.22 0.00 0.00 54.13 55.31 3m1a s LEU 58 Cb -0.21 1.46 0.01 0.00 0.50 0.00 0.00 46.19 47.94 3m1a s LEU 58 CO 0.16 -0.22 0.29 -0.62 -1.32 0.00 0.00 176.35 174.64 3m1a s ASP 59 N 2.21 6.10 0.07 3.68 -1.08 -1.26 -3.38 116.67 123.01 3m1a s ASP 59 Ca -0.05 -0.69 0.13 0.00 -0.52 0.00 0.00 52.55 51.42 3m1a s ASP 59 Cb -0.11 -2.16 0.57 0.00 -1.46 0.00 0.00 42.92 39.77 3m1a s ASP 59 CO -0.13 -0.38 1.41 0.52 0.52 0.00 0.00 175.17 177.11 3m1a n VAL 60 N 5.16 1.22 1.49 1.11 0.31 -1.26 -0.84 118.33 125.52 3m1a n VAL 60 Ca -0.11 0.34 0.14 0.00 -0.01 0.00 0.00 64.34 64.71 3m1a n VAL 60 Cb 0.48 -1.20 0.65 0.00 -0.91 0.00 0.00 33.84 32.86 3m1a n VAL 60 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3m1a n THR 61 N -1.68 0.00 -3.52 2.52 -2.24 -1.26 -4.08 114.28 104.01 3m1a n THR 61 Ca 0.02 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 3m1a n THR 61 Cb 0.13 -0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 3m1a n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3m1a s ASP 62 N -2.37 5.80 0.26 3.42 -1.08 -0.02 -4.96 116.67 117.71 3m1a s ASP 62 Ca 0.32 -2.00 -0.05 0.00 -0.52 0.00 0.00 52.55 50.31 3m1a s ASP 62 Cb 0.20 -2.04 0.30 0.00 -1.46 0.00 0.00 42.92 39.93 3m1a s ASP 62 CO 0.45 -0.69 1.89 1.23 0.52 0.00 0.00 175.17 178.56 3m1a h GLY 63 N 8.39 1.25 1.02 2.66 0.00 -1.83 -1.35 103.07 113.20 3m1a h GLY 63 Ca -0.19 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3m1a h GLY 63 CO 0.87 0.53 0.57 0.83 0.00 0.00 0.00 176.54 179.34 3m1a h GLU 64 N 1.17 1.29 -0.20 4.80 3.07 -1.96 -2.61 114.58 120.15 3m1a h GLU 64 Ca 0.30 -0.12 -0.19 0.00 -0.50 0.00 0.00 59.36 58.85 3m1a h GLU 64 Cb 0.01 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 27.65 3m1a h GLU 64 CO -0.05 0.90 -0.62 -0.09 -1.40 0.00 0.00 179.01 177.76 3m1a h ARG 65 N 1.31 0.69 -0.42 2.33 9.65 -1.73 -1.84 114.38 124.37 3m1a h ARG 65 Ca 0.34 -0.48 0.08 0.00 -1.10 0.00 0.00 59.98 58.83 3m1a h ARG 65 Cb -0.05 0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.52 3m1a h ARG 65 CO -0.06 1.10 -0.09 0.82 2.80 0.00 0.00 179.97 184.54 3m1a h ILE 66 N 0.51 0.59 -0.50 1.20 2.04 -1.11 0.91 117.51 121.16 3m1a h ILE 66 Ca -0.01 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3m1a h ILE 66 Cb 1.21 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3m1a h ILE 66 CO 0.12 0.00 0.14 0.44 0.00 0.00 0.00 178.15 178.86 3m1a h ASP 67 N 0.02 0.73 -0.26 1.72 3.32 -1.26 -0.52 116.42 120.17 3m1a h ASP 67 Ca 0.20 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3m1a h ASP 67 Cb 0.31 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3m1a h ASP 67 CO -0.42 0.76 0.16 0.58 -1.72 0.00 0.00 179.24 178.59 3m1a h VAL 68 N 0.67 1.04 -0.27 -1.35 2.07 -0.93 -1.82 116.25 115.66 3m1a h VAL 68 Ca 0.16 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3m1a h VAL 68 Cb 0.29 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3m1a h VAL 68 CO -0.00 0.06 0.07 0.58 0.02 0.00 0.00 177.57 178.29 3m1a h VAL 69 N 0.32 1.21 -0.28 2.57 2.07 -0.58 -0.37 116.25 121.20 3m1a h VAL 69 Ca 0.10 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.94 3m1a h VAL 69 Cb -0.01 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3m1a h VAL 69 CO -0.04 0.23 0.12 0.00 0.02 0.00 0.00 177.57 177.90 3m1a h ALA 70 N 0.89 0.33 -0.61 1.67 0.00 -1.10 0.35 119.26 120.78 3m1a h ALA 70 Ca 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3m1a h ALA 70 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3m1a h ALA 70 CO 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 179.25 179.03 3m1a h ALA 71 N 1.15 0.94 -0.33 0.00 0.00 -1.17 -2.14 119.26 117.71 3m1a h ALA 71 Ca 0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3m1a h ALA 71 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3m1a h ALA 71 CO -0.10 0.65 -0.01 0.22 0.00 0.00 0.00 179.25 180.01 3m1a h ASP 72 N 0.96 0.57 -0.51 0.00 3.58 -0.74 -0.67 116.42 119.62 3m1a h ASP 72 Ca 0.18 -0.32 0.01 0.00 0.42 0.00 0.00 57.03 57.32 3m1a h ASP 72 Cb 0.48 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 3m1a h ASP 72 CO 0.02 0.75 0.33 0.58 -2.88 0.00 0.00 179.24 178.04 3m1a h VAL 73 N 0.38 1.12 -0.70 2.25 2.07 -0.87 -2.32 116.25 118.18 3m1a h VAL 73 Ca 0.09 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3m1a h VAL 73 Cb 0.47 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3m1a h VAL 73 CO 0.02 0.12 0.34 -0.07 0.02 0.00 0.00 177.57 178.00 3m1a h LEU 74 N 0.67 0.90 -1.36 2.57 3.38 -1.25 -0.05 115.31 120.17 3m1a h LEU 74 Ca 0.19 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3m1a h LEU 74 Cb -0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3m1a h LEU 74 CO -0.05 0.76 -0.32 0.00 0.09 0.00 0.00 178.44 178.93 3m1a h ALA 75 N 1.38 1.41 0.00 1.53 0.00 -0.69 -0.18 119.26 122.70 3m1a h ALA 75 Ca 0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3m1a h ALA 75 Cb 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3m1a h ALA 75 CO -0.03 0.40 -1.58 0.54 0.00 0.00 0.00 179.25 178.58 3m1a n ARG 76 N -4.06 0.78 -0.00 0.00 1.74 -0.91 -4.53 116.66 109.67 3m1a n ARG 76 Ca -0.02 -0.08 0.06 0.00 -0.77 0.00 0.00 57.85 57.04 3m1a n ARG 76 Cb 0.37 -1.28 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 3m1a n ARG 76 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3m1a n TYR 77 N -2.01 0.00 0.00 -1.55 4.01 -0.05 -5.01 117.16 112.55 3m1a n TYR 77 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3m1a n TYR 77 Cb 0.43 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3m1a n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m1a n GLY 78 N 1.61 3.14 3.59 2.72 0.00 -0.08 -4.92 105.19 111.26 3m1a n GLY 78 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3m1a n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3m1a s ARG 79 N -0.31 0.86 -0.13 1.61 1.70 -1.26 -4.95 118.95 116.47 3m1a s ARG 79 Ca 0.00 -0.38 0.01 0.00 -0.47 0.00 0.00 55.73 54.89 3m1a s ARG 79 Cb 0.00 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 3m1a s ARG 79 CO 0.00 -0.38 -0.14 0.08 -1.08 0.00 0.00 175.30 173.78 3m1a s VAL 80 N -3.06 1.49 -0.11 4.99 1.01 -1.26 -4.77 120.40 118.68 3m1a s VAL 80 Ca 0.08 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3m1a s VAL 80 Cb -0.01 -1.39 -0.27 0.00 0.00 0.00 0.00 36.38 34.72 3m1a s VAL 80 CO -0.05 0.44 0.47 0.44 0.00 0.00 0.00 175.10 176.40 3m1a h ASP 81 N 7.78 0.40 -3.16 3.32 3.32 -1.11 -3.46 116.42 123.52 3m1a h ASP 81 Ca -0.34 -0.87 -0.55 0.00 0.02 0.00 0.00 57.03 55.28 3m1a h ASP 81 Cb 1.15 -0.13 -0.37 0.00 0.22 0.00 0.00 39.33 40.21 3m1a h ASP 81 CO 0.50 1.72 -0.81 -0.69 -1.72 0.00 0.00 179.24 178.24 3m1a s VAL 82 N -2.51 1.23 -0.22 -1.35 1.01 -0.49 -0.65 120.40 117.41 3m1a s VAL 82 Ca -0.21 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 3m1a s VAL 82 Cb 0.05 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3m1a s VAL 82 CO 0.76 0.40 0.10 -0.22 0.00 0.00 0.00 175.10 176.15 3m1a s LEU 83 N 1.63 3.81 -0.28 3.92 2.96 0.10 -0.31 118.68 130.51 3m1a s LEU 83 Ca 0.05 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.95 3m1a s LEU 83 Cb -0.13 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.61 3m1a s LEU 83 CO -0.09 0.08 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.30 3m1a s VAL 84 N 0.97 2.91 -0.75 1.68 1.01 -0.13 -0.39 120.40 125.70 3m1a s VAL 84 Ca 0.05 -1.31 -0.21 0.00 0.00 0.00 0.00 61.98 60.51 3m1a s VAL 84 Cb -0.14 -2.63 0.09 0.00 0.00 0.00 0.00 36.38 33.71 3m1a s VAL 84 CO 0.03 -0.02 1.03 0.20 0.00 0.00 0.00 175.10 176.33 3m1a s ASN 85 N 1.26 6.31 -0.02 3.32 0.02 0.20 -1.95 114.94 124.09 3m1a s ASN 85 Ca -0.04 -1.31 0.04 0.00 -1.02 0.00 0.00 52.86 50.53 3m1a s ASN 85 Cb -0.19 -2.42 -0.06 0.00 0.02 0.00 0.00 41.25 38.60 3m1a s ASN 85 CO -0.02 -1.33 0.06 -3.20 0.02 0.00 0.00 177.10 172.62 3m1a n ASN 86 N 7.41 4.00 -4.62 -1.22 5.15 -1.24 -1.72 115.26 123.03 3m1a n ASN 86 Ca 0.05 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.62 3m1a n ASN 86 Cb 0.47 0.92 0.01 0.00 -0.53 0.00 0.00 39.78 40.64 3m1a n ASN 86 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m1a n ALA 87 N -1.88 0.25 0.00 5.20 0.00 -1.08 -4.80 120.51 118.19 3m1a n ALA 87 Ca -0.03 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3m1a n ALA 87 Cb 0.35 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3m1a n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1a n GLY 88 N 1.15 -1.28 3.41 0.00 0.00 -1.26 -4.68 105.19 102.53 3m1a n GLY 88 Ca 0.09 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 3m1a n GLY 88 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3m1a s ARG 89 N -1.99 1.25 0.11 1.61 1.70 -1.26 -4.56 118.95 115.81 3m1a s ARG 89 Ca 0.00 -1.09 -0.25 0.00 -0.47 0.00 0.00 55.73 53.92 3m1a s ARG 89 Cb 0.00 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.74 3m1a s ARG 89 CO 0.00 -0.49 0.75 0.99 -1.08 0.00 0.00 175.30 175.48 3m1a s THR 90 N -3.94 4.53 -0.06 4.99 2.01 -0.47 -5.01 115.64 117.69 3m1a s THR 90 Ca 0.15 1.63 -0.03 0.00 0.31 0.00 0.00 61.69 63.76 3m1a s THR 90 Cb 0.02 -4.11 0.04 0.00 0.01 0.00 0.00 72.50 68.46 3m1a s THR 90 CO -0.00 0.47 0.13 -1.58 -0.69 0.00 0.00 174.62 172.95 3m1a s GLN 91 N -0.74 0.06 -0.08 4.92 0.74 -1.26 -0.79 119.66 122.51 3m1a s GLN 91 Ca 0.36 0.39 -0.00 0.00 0.05 0.00 0.00 55.36 56.16 3m1a s GLN 91 Cb -0.22 -0.22 0.02 0.00 1.10 0.00 0.00 33.01 33.70 3m1a s GLN 91 CO 0.24 -0.20 -0.06 0.08 -0.55 0.00 0.00 175.29 174.81 3m1a s VAL 92 N 1.43 0.78 -0.26 1.34 1.01 -0.49 -4.48 120.40 119.73 3m1a s VAL 92 Ca -0.06 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 3m1a s VAL 92 Cb -0.12 -0.82 0.17 0.00 0.00 0.00 0.00 36.38 35.61 3m1a s VAL 92 CO -0.05 0.31 1.27 -0.83 0.00 0.00 0.00 175.10 175.80 3m1a s GLY 93 N 1.50 0.04 0.47 4.51 0.00 0.15 -0.21 107.32 113.78 3m1a s GLY 93 Ca -0.00 2.76 -0.22 0.00 0.00 0.00 0.00 44.72 47.25 3m1a s GLY 93 CO -0.04 1.26 0.89 0.00 0.00 0.00 0.00 173.10 175.21 3m1a n ALA 94 N 0.82 -0.18 -0.09 3.20 0.00 -1.26 -4.24 120.51 118.77 3m1a n ALA 94 Ca -0.05 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.49 3m1a n ALA 94 Cb 0.58 -2.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.01 3m1a n ALA 94 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3m1a h PHE 95 N 1.13 -0.15 0.00 0.00 3.04 -1.95 -1.39 116.94 117.61 3m1a h PHE 95 Ca -0.45 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.52 3m1a h PHE 95 Cb 1.36 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.98 3m1a h PHE 95 CO 0.40 -0.13 -0.05 1.49 -2.02 0.00 0.00 178.31 178.00 3m1a h GLU 96 N 0.01 0.00 0.00 1.11 4.81 -2.04 -2.74 114.58 115.73 3m1a h GLU 96 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3m1a h GLU 96 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3m1a h GLU 96 CO -0.32 0.05 -0.54 1.49 -0.73 0.00 0.00 179.01 178.96 3m1a h GLU 97 N 0.00 0.00 -6.27 1.92 4.57 -1.63 -3.46 114.58 109.71 3m1a h GLU 97 Ca -0.00 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.63 3m1a h GLU 97 Cb 0.10 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3m1a h GLU 97 CO 0.01 0.00 0.83 0.99 -1.18 0.00 0.00 179.01 179.66 3m1a s THR 98 N -3.25 4.06 0.59 0.32 2.01 -0.77 -4.97 115.64 113.63 3m1a s THR 98 Ca 0.04 1.37 -0.14 0.00 0.31 0.00 0.00 61.69 63.27 3m1a s THR 98 Cb 0.09 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3m1a s THR 98 CO 0.72 -0.05 1.03 0.42 -0.69 0.00 0.00 174.62 176.05 3m1a s THR 99 N 2.83 4.29 0.27 -0.82 -4.23 -1.26 -4.91 115.64 111.81 3m1a s THR 99 Ca 0.59 0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 62.02 3m1a s THR 99 Cb -0.26 -3.60 0.27 0.00 1.34 0.00 0.00 72.50 70.24 3m1a s THR 99 CO 0.21 -0.77 1.93 -0.08 -0.54 0.00 0.00 174.62 175.37 3m1a h GLU 100 N 0.22 1.18 -0.38 3.99 4.81 -1.99 -1.41 114.58 121.01 3m1a h GLU 100 Ca -0.46 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3m1a h GLU 100 Cb 1.20 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 3m1a h GLU 100 CO 0.60 0.78 0.19 -0.09 -0.73 0.00 0.00 179.01 179.75 3m1a h ARG 101 N 1.21 0.54 -0.71 1.92 2.43 -1.99 0.50 114.38 118.28 3m1a h ARG 101 Ca 0.37 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 3m1a h ARG 101 Cb -0.02 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 3m1a h ARG 101 CO -0.11 0.47 0.44 0.93 -1.51 0.00 0.00 179.97 180.19 3m1a h GLU 102 N 0.47 0.84 -0.16 0.20 5.08 -1.83 -1.02 114.58 118.16 3m1a h GLU 102 Ca 0.13 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3m1a h GLU 102 Cb 0.10 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3m1a h GLU 102 CO -0.02 0.55 0.04 1.25 -1.00 0.00 0.00 179.01 179.84 3m1a h LEU 103 N 0.86 0.24 -0.40 1.33 5.85 -0.88 -2.34 115.31 119.97 3m1a h LEU 103 Ca 0.29 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3m1a h LEU 103 Cb 0.03 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3m1a h LEU 103 CO -0.11 0.40 0.19 0.03 -0.34 0.00 0.00 178.44 178.60 3m1a h ARG 104 N 0.07 0.58 -0.99 1.25 3.08 -0.67 -2.07 114.38 115.63 3m1a h ARG 104 Ca 0.05 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.07 3m1a h ARG 104 Cb 0.25 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 3m1a h ARG 104 CO -0.00 0.52 0.64 -0.44 -1.07 0.00 0.00 179.97 179.62 3m1a h ASP 105 N 0.51 1.04 -0.48 7.04 3.32 -1.21 -0.53 116.42 126.11 3m1a h ASP 105 Ca 0.14 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 3m1a h ASP 105 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3m1a h ASP 105 CO -0.02 0.67 -0.17 0.25 -1.72 0.00 0.00 179.24 178.26 3m1a h LEU 106 N 1.18 0.98 -1.30 1.55 5.85 -1.15 -2.70 115.31 119.72 3m1a h LEU 106 Ca 0.42 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3m1a h LEU 106 Cb 0.13 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3m1a h LEU 106 CO -0.16 1.14 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.76 3m1a h PHE 107 N 0.81 0.40 -0.09 1.25 0.04 -0.79 -1.05 116.94 117.51 3m1a h PHE 107 Ca 0.11 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3m1a h PHE 107 Cb 0.74 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 3m1a h PHE 107 CO 0.05 0.46 0.06 0.93 -0.60 0.00 0.00 178.31 179.21 3m1a h GLU 108 N 0.37 0.12 -0.16 1.51 4.39 -0.94 0.85 114.58 120.72 3m1a h GLU 108 Ca 0.08 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 3m1a h GLU 108 Cb 0.36 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3m1a h GLU 108 CO 0.02 0.10 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.72 3m1a h LEU 109 N 0.11 0.44 0.00 1.33 3.38 -1.27 0.92 115.31 120.21 3m1a h LEU 109 Ca 0.03 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3m1a h LEU 109 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3m1a h LEU 109 CO -0.01 0.84 -1.31 1.41 0.09 0.00 0.00 178.44 179.46 3m1a n HIS 110 N -4.50 0.62 0.05 1.13 8.25 -0.42 -4.46 115.22 115.89 3m1a n HIS 110 Ca -0.06 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3m1a n HIS 110 Cb 0.39 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.72 3m1a n HIS 110 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3m1a n VAL 111 N -2.49 0.59 -0.05 1.59 0.31 0.10 -4.69 118.33 113.69 3m1a n VAL 111 Ca -0.01 0.19 -0.11 0.00 -0.01 0.00 0.00 64.34 64.40 3m1a n VAL 111 Cb 0.55 -1.09 -0.06 0.00 -0.91 0.00 0.00 33.84 32.33 3m1a n VAL 111 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3m1a h PHE 112 N 0.00 0.28 0.28 3.52 0.04 -0.99 -0.44 116.94 119.63 3m1a h PHE 112 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3m1a h PHE 112 Cb 0.00 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3m1a h PHE 112 CO 0.00 0.42 -0.30 0.78 -0.60 0.00 0.00 178.31 178.61 3m1a h GLY 113 N 0.05 -0.67 0.64 -1.45 0.00 -0.96 -1.12 103.07 99.56 3m1a h GLY 113 Ca 0.05 0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.80 3m1a h GLY 113 CO 0.00 -0.26 0.52 -2.55 0.00 0.00 0.00 176.54 174.25 3m1a h PRO 114 N -0.62 0.88 -0.80 4.80 0.11 -1.77 -0.07 132.00 134.53 3m1a h PRO 114 Ca -0.01 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.08 3m1a h PRO 114 Cb 0.58 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.44 3m1a h PRO 114 CO -0.07 0.58 0.51 0.00 -0.21 0.00 0.00 178.00 178.82 3m1a h ALA 115 N 1.43 1.04 -0.37 -0.75 0.00 -0.87 -0.38 119.26 119.36 3m1a h ALA 115 Ca 0.39 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 3m1a h ALA 115 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3m1a h ALA 115 CO -0.20 0.34 -0.20 -0.09 0.00 0.00 0.00 179.25 179.10 3m1a h ARG 116 N 1.01 0.80 -0.40 0.00 2.43 -0.53 -1.36 114.38 116.33 3m1a h ARG 116 Ca 0.31 -0.36 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 3m1a h ARG 116 Cb -0.01 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3m1a h ARG 116 CO -0.10 0.98 -0.33 1.25 -1.51 0.00 0.00 179.97 180.26 3m1a h LEU 117 N 0.59 0.94 -0.33 3.80 5.85 -0.88 -2.02 115.31 123.26 3m1a h LEU 117 Ca 0.08 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3m1a h LEU 117 Cb 0.76 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3m1a h LEU 117 CO 0.06 1.18 0.15 0.74 -0.34 0.00 0.00 178.44 180.22 3m1a h THR 118 N 0.75 1.17 -0.63 1.05 2.02 -1.04 -2.55 112.91 113.68 3m1a h THR 118 Ca 0.08 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.79 3m1a h THR 118 Cb 0.90 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3m1a h THR 118 CO 0.08 0.18 0.42 0.03 0.37 0.00 0.00 175.52 176.60 3m1a h ARG 119 N 0.39 0.70 0.00 6.66 3.08 -1.11 -1.05 114.38 123.06 3m1a h ARG 119 Ca 0.11 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3m1a h ARG 119 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3m1a h ARG 119 CO -0.01 0.46 -0.37 0.00 -1.07 0.00 0.00 179.97 178.98 3m1a h ALA 120 N 1.64 1.13 0.00 0.04 0.00 -0.98 -3.27 119.26 117.82 3m1a h ALA 120 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3m1a h ALA 120 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3m1a h ALA 120 CO -0.07 0.46 -0.89 1.28 0.00 0.00 0.00 179.25 180.03 3m1a n LEU 121 N -3.72 0.59 -0.17 0.00 4.77 -0.89 -4.55 117.00 113.04 3m1a n LEU 121 Ca -0.01 -0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 55.50 3m1a n LEU 121 Cb 0.46 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3m1a n LEU 121 CO 0.37 0.15 1.05 0.25 -1.33 0.00 0.00 177.39 177.88 3m1a h LEU 122 N 0.00 0.48 -1.01 2.23 5.85 -1.26 -3.21 115.31 118.38 3m1a h LEU 122 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3m1a h LEU 122 Cb 0.42 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3m1a h LEU 122 CO 0.00 0.34 0.66 -0.65 -0.34 0.00 0.00 178.44 178.45 3m1a h PRO 123 N 0.59 1.26 -1.69 5.25 0.11 -1.80 -0.64 132.00 135.09 3m1a h PRO 123 Ca 0.20 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3m1a h PRO 123 Cb 0.03 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 30.85 3m1a h PRO 123 CO -0.10 0.84 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 3m1a n GLN 124 N -4.42 0.60 0.00 1.05 -0.00 -1.21 -1.21 117.38 112.19 3m1a n GLN 124 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.13 3m1a n GLN 124 Cb 0.07 -1.20 0.00 0.00 -0.00 0.00 0.00 30.24 29.11 3m1a n GLN 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3m1a n ARG 126 N 1.19 0.00 0.17 2.61 1.74 -0.25 -2.70 116.66 119.42 3m1a n ARG 126 Ca 0.00 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 3m1a n ARG 126 Cb 0.30 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 32.07 3m1a n ARG 126 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3m1a h GLU 127 N 0.00 0.02 0.01 5.56 5.08 -1.43 -2.42 114.58 121.41 3m1a h GLU 127 Ca 0.00 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3m1a h GLU 127 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3m1a h GLU 127 CO 0.00 0.41 -1.19 -0.09 -1.00 0.00 0.00 179.01 177.14 3m1a h ARG 128 N 0.02 0.03 0.00 2.33 2.43 -1.77 -3.48 114.38 113.93 3m1a h ARG 128 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3m1a h ARG 128 Cb 0.71 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3m1a h ARG 128 CO 0.05 0.91 0.00 0.41 -1.51 0.00 0.00 179.97 179.84 3m1a n GLY 129 N 1.42 0.44 3.45 2.80 0.00 -0.91 -5.06 105.19 107.33 3m1a n GLY 129 Ca -0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 3m1a n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m1a s SER 130 N -2.96 -0.57 0.00 1.61 1.04 -1.25 -4.47 113.70 107.11 3m1a s SER 130 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3m1a s SER 130 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3m1a s SER 130 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3m1a n GLY 131 N -0.11 3.87 2.98 7.32 0.00 -1.26 -4.65 105.19 113.34 3m1a n GLY 131 Ca -0.17 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 3m1a n GLY 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m1a s SER 132 N 0.00 1.27 -0.23 1.61 0.01 0.18 -0.12 113.70 116.42 3m1a s SER 132 Ca 0.00 -0.20 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 3m1a s SER 132 Cb 0.00 -0.48 0.01 0.00 0.21 0.00 0.00 66.02 65.76 3m1a s SER 132 CO 0.00 0.03 -0.06 -0.69 0.41 0.00 0.00 173.24 172.92 3m1a s VAL 133 N 0.50 3.00 -0.29 3.43 1.01 0.44 -0.72 120.40 127.78 3m1a s VAL 133 Ca -0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 3m1a s VAL 133 Cb -0.12 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3m1a s VAL 133 CO 0.01 0.31 0.04 -0.69 0.00 0.00 0.00 175.10 174.77 3m1a s VAL 134 N 1.38 3.65 -0.28 2.92 1.01 0.48 -0.14 120.40 129.41 3m1a s VAL 134 Ca 0.03 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 3m1a s VAL 134 Cb -0.15 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3m1a s VAL 134 CO -0.05 0.09 0.09 0.20 0.00 0.00 0.00 175.10 175.43 3m1a s ASN 135 N 1.44 5.19 -0.56 3.32 0.02 -0.07 -0.63 114.94 123.65 3m1a s ASN 135 Ca 0.01 -0.51 -0.28 0.00 -1.02 0.00 0.00 52.86 51.06 3m1a s ASN 135 Cb -0.17 -1.92 0.03 0.00 0.02 0.00 0.00 41.25 39.21 3m1a s ASN 135 CO 0.01 -0.14 1.15 -0.63 0.02 0.00 0.00 177.10 177.51 3m1a s ILE 136 N 1.56 4.09 0.00 0.60 -1.09 -0.70 -1.33 121.20 124.33 3m1a s ILE 136 Ca 0.04 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 3m1a s ILE 136 Cb -0.16 -4.69 0.00 0.00 -1.58 0.00 0.00 42.46 36.03 3m1a s ILE 136 CO 0.03 -1.27 0.00 -0.24 -1.23 0.00 0.00 174.94 172.24 3m1a n SER 137 N 8.23 0.00 -3.60 3.58 2.88 0.67 -4.89 113.62 120.50 3m1a n SER 137 Ca 0.08 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.58 3m1a n SER 137 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 3m1a n SER 137 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3m1a s SER 138 N -0.48 -0.14 0.61 -3.46 0.15 -1.20 -4.41 113.70 104.78 3m1a s SER 138 Ca 0.00 -0.02 0.30 0.00 0.70 0.00 0.00 55.95 56.93 3m1a s SER 138 Cb 0.00 0.16 1.62 0.00 -1.71 0.00 0.00 66.02 66.09 3m1a s SER 138 CO 0.00 -0.26 2.00 2.19 1.20 0.00 0.00 173.24 178.37 3m1a h PHE 139 N 2.00 0.00 0.00 3.44 -5.15 -1.73 0.45 116.94 115.95 3m1a h PHE 139 Ca -0.12 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.65 3m1a h PHE 139 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.34 3m1a h PHE 139 CO 0.29 0.00 0.00 0.41 -2.00 0.00 0.00 178.31 177.01 3m1a n GLY 140 N -1.38 -1.03 0.00 6.09 0.00 -1.26 -2.47 105.19 105.14 3m1a n GLY 140 Ca 0.03 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.06 3m1a n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1a n GLY 141 N 0.29 -0.87 0.00 -0.02 0.00 0.15 -3.50 105.19 101.23 3m1a n GLY 141 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3m1a n GLY 141 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m1a n GLN 142 N -1.36 4.11 -3.64 1.61 6.02 -1.03 -3.78 117.38 119.32 3m1a n GLN 142 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.95 3m1a n GLN 142 Cb 0.14 -0.64 -0.05 0.00 1.02 0.00 0.00 30.24 30.71 3m1a n GLN 142 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3m1a s LEU 143 N -2.15 0.43 0.23 1.08 0.05 -1.21 -5.05 118.68 112.06 3m1a s LEU 143 Ca 0.00 -0.31 -0.01 0.00 0.05 0.00 0.00 54.13 53.86 3m1a s LEU 143 Cb 0.00 1.81 -0.03 0.00 -2.05 0.00 0.00 46.19 45.92 3m1a s LEU 143 CO 0.00 -0.84 0.22 -0.55 -0.55 0.00 0.00 176.35 174.63 3m1a s SER 144 N -2.76 0.40 0.25 1.48 0.15 -1.26 -4.37 113.70 107.58 3m1a s SER 144 Ca 0.03 -1.39 -0.13 0.00 0.70 0.00 0.00 55.95 55.15 3m1a s SER 144 Cb 0.02 0.45 0.05 0.00 -1.71 0.00 0.00 66.02 64.83 3m1a s SER 144 CO -0.12 -0.94 0.69 2.22 1.20 0.00 0.00 173.24 176.29 3m1a n PHE 145 N -0.36 -1.75 -1.59 3.44 -1.74 -1.26 -5.08 117.46 109.13 3m1a n PHE 145 Ca 0.02 -1.28 -0.51 0.00 -0.56 0.00 0.00 57.45 55.12 3m1a n PHE 145 Cb 0.65 0.64 -0.06 0.00 1.52 0.00 0.00 39.48 42.23 3m1a n PHE 145 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3m1a n ALA 146 N -1.16 -0.90 -0.43 1.98 0.00 -1.26 -1.51 120.51 117.23 3m1a n ALA 146 Ca -0.12 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3m1a n ALA 146 Cb 0.46 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3m1a n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1a n GLY 147 N 2.43 1.81 0.68 0.00 0.00 -1.26 -4.69 105.19 104.17 3m1a n GLY 147 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 3m1a n GLY 147 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3m1a n PHE 148 N -2.00 0.45 -0.06 1.61 -0.00 -0.57 -0.67 117.46 116.22 3m1a n PHE 148 Ca 0.00 -0.44 -0.10 0.00 -0.00 0.00 0.00 57.45 56.91 3m1a n PHE 148 Cb 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.48 39.43 3m1a n PHE 148 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3m1a h SER 149 N 2.27 0.28 -0.27 -2.13 4.64 -1.79 -0.04 113.55 116.51 3m1a h SER 149 Ca 0.00 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3m1a h SER 149 Cb 0.73 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3m1a h SER 149 CO 0.00 0.24 -0.11 0.00 -0.87 0.00 0.00 176.83 176.08 3m1a h ALA 150 N 1.06 0.38 0.29 5.18 0.00 -1.86 -0.66 119.26 123.65 3m1a h ALA 150 Ca 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3m1a h ALA 150 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3m1a h ALA 150 CO -0.02 0.24 -0.14 -0.92 0.00 0.00 0.00 179.25 178.41 3m1a h TYR 151 N 0.30 -0.37 -0.75 0.00 3.20 -1.74 -1.68 116.97 115.94 3m1a h TYR 151 Ca 0.06 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3m1a h TYR 151 Cb 0.62 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.97 3m1a h TYR 151 CO 0.06 -0.23 0.48 0.77 -1.64 0.00 0.00 178.16 177.60 3m1a h SER 152 N -0.40 0.82 -0.64 -2.11 0.02 -1.00 -1.37 113.55 108.88 3m1a h SER 152 Ca -0.04 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3m1a h SER 152 Cb 0.30 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 3m1a h SER 152 CO 0.06 0.58 0.31 0.00 -1.14 0.00 0.00 176.83 176.64 3m1a h ALA 153 N 1.29 0.85 -0.42 3.77 0.00 -0.90 0.59 119.26 124.44 3m1a h ALA 153 Ca 0.28 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3m1a h ALA 153 Cb -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3m1a h ALA 153 CO -0.08 -0.07 -0.13 1.79 0.00 0.00 0.00 179.25 180.75 3m1a h THR 154 N 0.55 1.28 -0.23 0.00 1.35 -0.76 -2.42 112.91 112.66 3m1a h THR 154 Ca 0.30 -1.25 -0.15 0.00 -0.55 0.00 0.00 66.41 64.76 3m1a h THR 154 Cb 0.29 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 3m1a h THR 154 CO -0.24 0.42 -0.46 0.11 -0.25 0.00 0.00 175.52 175.10 3m1a h LYS 155 N 0.66 0.61 -0.72 4.72 1.79 -0.85 -1.95 116.57 120.83 3m1a h LYS 155 Ca 0.10 -0.34 -0.06 0.00 -2.18 0.00 0.00 60.65 58.17 3m1a h LYS 155 Cb 0.68 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 3m1a h LYS 155 CO 0.05 0.94 0.21 0.00 -1.08 0.00 0.00 179.45 179.57 3m1a h ALA 156 N 1.01 0.94 -0.38 3.86 0.00 -0.91 0.15 119.26 123.93 3m1a h ALA 156 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3m1a h ALA 156 Cb 0.99 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3m1a h ALA 156 CO 0.09 0.64 0.23 0.00 0.00 0.00 0.00 179.25 180.21 3m1a h ALA 157 N 1.10 0.48 -0.78 0.00 0.00 -1.25 -0.24 119.26 118.57 3m1a h ALA 157 Ca 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3m1a h ALA 157 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3m1a h ALA 157 CO -0.00 -0.10 0.30 1.25 0.00 0.00 0.00 179.25 180.70 3m1a h LEU 158 N 0.47 1.07 -0.80 0.00 5.85 -0.87 -0.30 115.31 120.73 3m1a h LEU 158 Ca 0.15 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3m1a h LEU 158 Cb -0.01 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3m1a h LEU 158 CO -0.06 0.95 0.25 -0.33 -0.34 0.00 0.00 178.44 178.91 3m1a h GLU 159 N 1.13 1.14 -0.01 1.25 5.08 -0.37 -1.43 114.58 121.38 3m1a h GLU 159 Ca 0.26 -0.23 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 3m1a h GLU 159 Cb 0.22 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3m1a h GLU 159 CO -0.02 0.96 -0.91 1.96 -1.00 0.00 0.00 179.01 180.00 3m1a h GLN 160 N 1.10 0.38 -0.78 2.33 1.08 -0.55 0.39 115.11 119.06 3m1a h GLN 160 Ca 0.24 -0.39 0.05 0.00 -1.45 0.00 0.00 58.65 57.10 3m1a h GLN 160 Cb 0.28 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.77 3m1a h GLN 160 CO -0.01 1.07 0.47 -0.07 -0.95 0.00 0.00 178.83 179.34 3m1a h LEU 161 N 0.22 0.74 -0.65 1.46 3.38 -1.02 -2.17 115.31 117.27 3m1a h LEU 161 Ca -0.07 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3m1a h LEU 161 Cb 1.54 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 3m1a h LEU 161 CO 0.15 0.48 0.14 0.28 0.09 0.00 0.00 178.44 179.59 3m1a h SER 162 N 0.87 0.99 0.08 -0.43 0.02 -0.87 -1.38 113.55 112.84 3m1a h SER 162 Ca 0.33 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3m1a h SER 162 Cb 0.14 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3m1a h SER 162 CO -0.16 0.98 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.14 3m1a h GLU 163 N 0.96 -0.10 0.14 3.45 5.08 -0.72 -0.95 114.58 122.44 3m1a h GLU 163 Ca 0.20 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3m1a h GLU 163 Cb 0.38 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3m1a h GLU 163 CO 0.01 0.01 -0.23 0.78 -1.00 0.00 0.00 179.01 178.58 3m1a h GLY 164 N -0.19 -0.44 0.42 -3.84 0.00 -1.37 -2.76 103.07 94.90 3m1a h GLY 164 Ca -0.01 0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.64 3m1a h GLY 164 CO 0.02 -0.21 -0.09 -2.00 0.00 0.00 0.00 176.54 174.26 3m1a h LEU 165 N -0.44 -0.31 -0.56 3.11 5.85 -1.27 -2.42 115.31 119.28 3m1a h LEU 165 Ca 0.02 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.94 3m1a h LEU 165 Cb 0.45 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 3m1a h LEU 165 CO -0.11 -0.11 -0.00 0.00 -0.34 0.00 0.00 178.44 177.87 3m1a h ALA 166 N 1.22 0.53 -0.60 1.25 0.00 -1.07 0.33 119.26 120.92 3m1a h ALA 166 Ca 0.13 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3m1a h ALA 166 Cb 0.23 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3m1a h ALA 166 CO -0.29 -0.39 0.40 0.22 0.00 0.00 0.00 179.25 179.19 3m1a h ASP 167 N 0.12 0.64 1.29 0.00 3.58 -1.17 -1.85 116.42 119.03 3m1a h ASP 167 Ca 0.29 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.58 3m1a h ASP 167 Cb 0.45 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 3m1a h ASP 167 CO -0.47 0.45 -0.71 -0.33 -2.88 0.00 0.00 179.24 175.30 3m1a h GLU 168 N 0.75 0.00 0.00 0.28 5.08 -0.53 -3.37 114.58 116.80 3m1a h GLU 168 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3m1a h GLU 168 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3m1a h GLU 168 CO -0.06 0.69 -0.65 1.33 -1.00 0.00 0.00 179.01 179.32 3m1a n VAL 169 N -3.27 0.00 -0.32 3.13 0.24 -0.42 -4.43 118.33 113.26 3m1a n VAL 169 Ca 0.01 -0.24 0.22 0.00 -2.04 0.00 0.00 64.34 62.29 3m1a n VAL 169 Cb 0.82 0.90 0.43 0.00 -1.47 0.00 0.00 33.84 34.52 3m1a n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3m1a h ALA 170 N 1.52 1.76 0.00 2.33 0.00 -1.49 0.19 119.26 123.57 3m1a h ALA 170 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3m1a h ALA 170 Cb 0.30 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3m1a h ALA 170 CO 0.00 -0.61 0.00 -1.35 0.00 0.00 0.00 179.25 177.29 3m1a h PRO 171 N 0.22 0.00 -0.03 0.00 0.11 -1.83 -2.11 132.00 128.35 3m1a h PRO 171 Ca 0.70 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.81 3m1a h PRO 171 Cb 1.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.71 3m1a h PRO 171 CO -0.67 0.00 -0.05 1.19 -0.21 0.00 0.00 178.00 178.26 3m1a n PHE 172 N -2.35 0.00 -0.89 0.65 3.01 0.65 -4.95 117.46 113.58 3m1a n PHE 172 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3m1a n PHE 172 Cb 0.14 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 3m1a n PHE 172 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m1a n GLY 173 N 1.33 0.54 3.72 1.37 0.00 -0.79 -3.85 105.19 107.50 3m1a n GLY 173 Ca 0.14 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3m1a n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m1a s ILE 174 N -2.00 5.07 -0.07 -0.61 1.01 -1.18 -4.18 121.20 119.24 3m1a s ILE 174 Ca 0.00 1.31 -0.14 0.00 0.00 0.00 0.00 60.65 61.81 3m1a s ILE 174 Cb 0.00 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 3m1a s ILE 174 CO 0.00 0.29 0.37 -0.54 0.00 0.00 0.00 174.94 175.05 3m1a s LYS 175 N 0.66 4.04 -0.14 2.79 1.02 0.83 -4.13 119.74 124.81 3m1a s LYS 175 Ca 0.34 0.29 0.01 0.00 0.02 0.00 0.00 55.97 56.63 3m1a s LYS 175 Cb -0.17 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 3m1a s LYS 175 CO 0.16 0.49 -0.17 0.08 -0.92 0.00 0.00 175.35 174.99 3m1a s VAL 176 N -0.37 1.72 -0.14 3.17 1.01 -1.26 -0.42 120.40 124.12 3m1a s VAL 176 Ca 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3m1a s VAL 176 Cb -0.15 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.68 3m1a s VAL 176 CO 0.10 0.48 -0.12 -0.22 0.00 0.00 0.00 175.10 175.34 3m1a s LEU 177 N 1.24 1.55 -0.29 3.92 2.96 0.80 -4.60 118.68 124.25 3m1a s LEU 177 Ca 0.01 -0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 53.32 3m1a s LEU 177 Cb -0.14 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 3m1a s LEU 177 CO -0.08 -0.08 0.40 -0.63 -1.32 0.00 0.00 176.35 174.64 3m1a s ILE 178 N 1.55 5.14 -0.18 6.68 1.01 0.11 -0.89 121.20 134.63 3m1a s ILE 178 Ca 0.05 0.50 -0.07 0.00 0.00 0.00 0.00 60.65 61.13 3m1a s ILE 178 Cb -0.13 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3m1a s ILE 178 CO -0.10 0.07 0.07 -0.69 0.00 0.00 0.00 174.94 174.30 3m1a s VAL 179 N 2.13 4.90 -0.58 2.92 1.01 -0.45 -1.17 120.40 129.15 3m1a s VAL 179 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.18 3m1a s VAL 179 Cb -0.16 -3.20 0.16 0.00 0.00 0.00 0.00 36.38 33.19 3m1a s VAL 179 CO 0.10 0.48 0.41 -1.61 0.00 0.00 0.00 175.10 174.48 3m1a s GLU 180 N 0.21 1.88 0.61 2.72 2.02 0.69 -0.24 118.70 126.59 3m1a s GLU 180 Ca 0.05 -2.82 -0.06 0.00 0.02 0.00 0.00 54.97 52.16 3m1a s GLU 180 Cb -0.12 -2.75 0.01 0.00 0.10 0.00 0.00 34.13 31.37 3m1a s GLU 180 CO 0.00 -1.29 0.92 -1.25 0.02 0.00 0.00 175.26 173.66 3m1a s PRO 181 N -0.78 2.87 0.00 0.39 0.04 -1.26 -0.88 135.00 135.38 3m1a s PRO 181 Ca 0.26 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.31 3m1a s PRO 181 Cb -0.06 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3m1a s PRO 181 CO -0.15 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.55 3m1a n GLY 182 N -2.64 1.83 3.76 0.56 0.00 -0.73 -3.51 105.19 104.46 3m1a n GLY 182 Ca 0.05 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 3m1a n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1a s ALA 183 N -2.98 3.31 0.14 4.61 0.00 -1.26 -4.97 121.76 120.60 3m1a s ALA 183 Ca 0.00 0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.68 3m1a s ALA 183 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3m1a s ALA 183 CO 0.00 0.15 -0.15 -0.06 0.00 0.00 0.00 175.76 175.70 3m1a s PHE 184 N -1.30 2.56 0.33 0.00 0.08 -1.26 -0.80 117.98 117.59 3m1a s PHE 184 Ca 0.44 -0.25 -0.29 0.00 0.12 0.00 0.00 56.93 56.96 3m1a s PHE 184 Cb -0.25 -1.31 -0.12 0.00 -0.57 0.00 0.00 43.02 40.77 3m1a s PHE 184 CO 0.31 0.44 1.35 2.89 -0.10 0.00 0.00 175.22 180.11 3m1a n ARG 185 N 0.48 2.22 -0.54 0.44 1.85 -0.48 -4.68 116.66 115.96 3m1a n ARG 185 Ca -0.13 0.78 0.06 0.00 -1.00 0.00 0.00 57.85 57.55 3m1a n ARG 185 Cb 0.54 -2.40 0.25 0.00 -1.05 0.00 0.00 32.46 29.80 3m1a n ARG 185 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3m1a n THR 186 N 0.65 2.37 0.00 8.89 -2.24 -1.26 -4.73 114.28 117.96 3m1a n THR 186 Ca 0.05 -2.00 0.00 0.00 -2.27 0.00 0.00 64.05 59.83 3m1a n THR 186 Cb 0.36 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3m1a n THR 186 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3m1a n ASN 187 N -0.59 0.00 -0.02 3.42 5.15 -1.26 -2.70 115.26 119.26 3m1a n ASN 187 Ca 0.24 1.00 -0.16 0.00 -0.60 0.00 0.00 54.58 55.06 3m1a n ASN 187 Cb 0.95 -0.50 -0.14 0.00 -0.53 0.00 0.00 39.78 39.56 3m1a n ASN 187 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3m1a n LEU 188 N -2.19 1.92 0.01 1.20 7.99 -1.26 -4.41 117.00 120.27 3m1a n LEU 188 Ca 0.00 0.23 0.13 0.00 -0.01 0.00 0.00 56.01 56.36 3m1a n LEU 188 Cb 0.00 -0.57 0.45 0.00 -0.11 0.00 0.00 43.42 43.19 3m1a n LEU 188 CO 0.00 0.69 0.76 0.49 -1.51 0.00 0.00 177.39 177.81 3m1a n PHE 189 N -3.27 0.13 -3.85 -1.77 3.72 -1.26 -5.01 117.46 106.15 3m1a n PHE 189 Ca -0.28 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3m1a n PHE 189 Cb 1.05 -0.48 -0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3m1a n PHE 189 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m1a n GLY 190 N 1.47 -1.92 3.23 1.37 0.00 -1.10 -0.66 105.19 107.59 3m1a n GLY 190 Ca 0.06 -1.36 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 3m1a n GLY 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m1a s LYS 191 N -0.11 0.99 0.74 1.61 3.01 -1.26 -2.64 119.74 122.09 3m1a s LYS 191 Ca 0.00 -1.21 -0.10 0.00 -1.01 0.00 0.00 55.97 53.64 3m1a s LYS 191 Cb 0.00 -0.86 0.05 0.00 -1.01 0.00 0.00 37.83 36.01 3m1a s LYS 191 CO 0.00 0.17 1.10 0.20 0.51 0.00 0.00 175.35 177.33 3m1a s GLY 192 N -2.40 1.62 0.61 -3.33 0.00 -1.26 -4.71 107.32 97.85 3m1a s GLY 192 Ca 0.08 -0.60 -0.19 0.00 0.00 0.00 0.00 44.72 44.01 3m1a s GLY 192 CO 0.03 -0.18 1.25 0.00 0.00 0.00 0.00 173.10 174.20 3m1a s ALA 193 N -3.41 2.50 -0.05 3.20 0.00 -1.26 -4.87 121.76 117.87 3m1a s ALA 193 Ca 0.60 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 53.64 3m1a s ALA 193 Cb -0.11 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3m1a s ALA 193 CO 0.49 -1.35 0.13 0.00 0.00 0.00 0.00 175.76 175.02 3m1a s ALA 194 N -1.49 -0.29 -0.08 0.00 0.00 -1.26 -1.37 121.76 117.27 3m1a s ALA 194 Ca 0.79 0.41 0.04 0.00 0.00 0.00 0.00 51.96 53.20 3m1a s ALA 194 Cb -0.34 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3m1a s ALA 194 CO 0.37 -0.08 -0.20 -0.47 0.00 0.00 0.00 175.76 175.37 3m1a s TYR 195 N 0.30 2.19 -0.19 0.00 5.04 0.03 -4.96 117.35 119.76 3m1a s TYR 195 Ca -0.02 -0.84 0.01 0.00 -2.44 0.00 0.00 57.07 53.78 3m1a s TYR 195 Cb -0.03 -1.49 0.03 0.00 0.35 0.00 0.00 41.96 40.82 3m1a s TYR 195 CO -0.01 -0.34 -0.16 -0.06 -1.34 0.00 0.00 175.55 173.64 3m1a s PHE 196 N 0.36 2.66 0.62 4.97 0.08 -1.26 -1.39 117.98 124.02 3m1a s PHE 196 Ca -0.15 -1.64 -0.18 0.00 0.12 0.00 0.00 56.93 55.07 3m1a s PHE 196 Cb -0.17 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.46 3m1a s PHE 196 CO 0.07 -0.78 1.24 -1.12 -0.10 0.00 0.00 175.22 174.52 3m1a s SER 197 N 1.32 4.91 0.14 1.36 0.01 0.71 -4.95 113.70 117.19 3m1a s SER 197 Ca 0.02 2.47 -0.34 0.00 1.31 0.00 0.00 55.95 59.40 3m1a s SER 197 Cb -0.14 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.32 3m1a s SER 197 CO -0.11 -1.79 1.13 1.21 0.41 0.00 0.00 173.24 174.10 3m1a n GLU 198 N -1.79 0.91 -3.62 12.44 2.13 -1.26 -4.87 120.64 124.58 3m1a n GLU 198 Ca 0.14 0.33 -0.40 0.00 0.66 0.00 0.00 57.16 57.89 3m1a n GLU 198 Cb 0.49 -1.81 -0.11 0.00 0.27 0.00 0.00 31.44 30.28 3m1a n GLU 198 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3m1a s GLU 199 N -0.23 2.99 0.42 5.31 2.02 -1.26 -4.80 118.70 123.15 3m1a s GLU 199 Ca 0.77 -0.96 0.04 0.00 0.02 0.00 0.00 54.97 54.83 3m1a s GLU 199 Cb -0.93 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 29.62 3m1a s GLU 199 CO 0.52 -0.61 0.60 0.54 0.02 0.00 0.00 175.26 176.33 3m1a s ASN 200 N 1.57 5.77 0.50 -0.19 2.20 -1.26 -4.83 114.94 118.70 3m1a s ASN 200 Ca 0.03 -0.02 0.17 0.00 -0.94 0.00 0.00 52.86 52.10 3m1a s ASN 200 Cb -0.18 -1.21 1.23 0.00 -2.00 0.00 0.00 41.25 39.08 3m1a s ASN 200 CO 0.07 -0.68 2.09 -0.65 -2.94 0.00 0.00 177.10 174.99 3m1a h PRO 201 N 0.56 0.00 -0.58 3.55 0.11 -1.99 -0.12 132.00 133.52 3m1a h PRO 201 Ca -0.45 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.78 3m1a h PRO 201 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3m1a h PRO 201 CO 0.53 0.08 0.40 0.00 -0.21 0.00 0.00 178.00 178.80 3m1a h ALA 202 N 1.92 2.12 -0.00 -0.75 0.00 -2.04 -3.27 119.26 117.24 3m1a h ALA 202 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m1a h ALA 202 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3m1a h ALA 202 CO 0.01 -0.26 -0.07 0.66 0.00 0.00 0.00 179.25 179.58 3m1a n TYR 203 N -4.46 0.00 -0.33 0.00 4.01 -0.19 -4.82 117.16 111.38 3m1a n TYR 203 Ca 0.10 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.89 3m1a n TYR 203 Cb 0.43 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.67 3m1a n TYR 203 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3m1a h ALA 204 N 0.27 1.35 -0.29 -0.72 0.00 -1.26 0.13 119.26 118.75 3m1a h ALA 204 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3m1a h ALA 204 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3m1a h ALA 204 CO 0.00 0.13 -0.18 1.05 0.00 0.00 0.00 179.25 180.24 3m1a h GLU 205 N 0.86 0.52 0.09 0.00 4.11 -1.88 0.15 114.58 118.43 3m1a h GLU 205 Ca 0.46 -0.17 -0.20 0.00 0.07 0.00 0.00 59.36 59.51 3m1a h GLU 205 Cb 0.47 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3m1a h GLU 205 CO -0.27 0.68 -0.98 0.87 0.07 0.00 0.00 179.01 179.38 3m1a h LYS 206 N 0.47 0.18 0.01 1.06 1.79 -1.69 -3.39 116.57 115.00 3m1a h LYS 206 Ca 0.08 -0.31 -0.19 0.00 -2.18 0.00 0.00 60.65 58.05 3m1a h LYS 206 Cb 0.59 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 3m1a h LYS 206 CO 0.04 1.15 -0.89 0.28 -1.08 0.00 0.00 179.45 178.95 3m1a h VAL 207 N -0.54 1.59 -0.20 0.50 2.07 -0.79 -3.36 116.25 115.51 3m1a h VAL 207 Ca -0.21 -2.89 0.05 0.00 0.82 0.00 0.00 66.70 64.46 3m1a h VAL 207 Cb 1.53 2.59 -0.07 0.00 -1.52 0.00 0.00 31.29 33.82 3m1a h VAL 207 CO 0.04 0.83 -0.46 1.23 0.02 0.00 0.00 177.57 179.23 3m1a h GLY 208 N 2.36 -0.78 1.32 2.17 0.00 -1.15 -1.29 103.07 105.70 3m1a h GLY 208 Ca -0.02 0.57 0.10 0.00 0.00 0.00 0.00 47.33 47.98 3m1a h GLY 208 CO 0.12 -0.20 0.25 -2.55 0.00 0.00 0.00 176.54 174.15 3m1a h PRO 209 N -0.48 0.00 -0.31 4.80 0.11 -1.78 -1.99 132.00 132.36 3m1a h PRO 209 Ca 0.08 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 3m1a h PRO 209 Cb 0.63 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3m1a h PRO 209 CO -0.45 0.00 -0.45 1.15 -0.21 0.00 0.00 178.00 178.03 3m1a h THR 210 N 0.00 1.28 -0.65 -1.15 2.02 -1.43 -0.63 112.91 112.35 3m1a h THR 210 Ca 0.16 -1.64 0.01 0.00 0.77 0.00 0.00 66.41 65.71 3m1a h THR 210 Cb 0.65 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3m1a h THR 210 CO -0.00 0.53 0.43 -0.09 0.37 0.00 0.00 175.52 176.76 3m1a h ARG 211 N 0.64 0.84 -0.48 6.66 2.43 -0.80 -1.84 114.38 121.83 3m1a h ARG 211 Ca 0.04 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3m1a h ARG 211 Cb 1.03 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 3m1a h ARG 211 CO 0.10 0.56 0.11 1.96 -1.51 0.00 0.00 179.97 181.19 3m1a h GLN 212 N 0.87 0.77 -1.00 0.20 1.08 -1.22 -2.31 115.11 113.49 3m1a h GLN 212 Ca 0.24 -0.19 0.09 0.00 -1.45 0.00 0.00 58.65 57.35 3m1a h GLN 212 Cb -0.08 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.18 3m1a h GLN 212 CO -0.06 0.75 0.64 1.25 -0.95 0.00 0.00 178.83 180.46 3m1a h LEU 213 N 0.65 1.00 0.00 1.46 6.46 -0.86 -0.86 115.31 123.16 3m1a h LEU 213 Ca 0.15 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 3m1a h LEU 213 Cb 0.33 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 3m1a h LEU 213 CO 0.00 0.60 -0.15 0.58 -0.62 0.00 0.00 178.44 178.85 3m1a h VAL 214 N 1.11 0.00 0.03 1.05 2.07 -1.16 -3.35 116.25 115.99 3m1a h VAL 214 Ca 0.46 -0.95 -0.36 0.00 0.82 0.00 0.00 66.70 66.66 3m1a h VAL 214 Cb 0.29 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3m1a h VAL 214 CO -0.21 0.00 -2.22 0.00 0.02 0.00 0.00 177.57 175.16 3m1a n GLN 215 N -2.96 0.68 0.00 1.57 6.02 -0.84 -5.07 117.38 116.79 3m1a n GLN 215 Ca 0.04 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 3m1a n GLN 215 Cb 0.52 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.17 3m1a n GLN 215 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m1a n GLY 216 N 1.95 3.24 2.71 1.08 0.00 -0.39 -5.10 105.19 108.69 3m1a n GLY 216 Ca -0.35 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 43.80 3m1a n GLY 216 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3m1a n PRO 222 N -0.72 0.53 -2.48 1.61 -0.02 -1.20 -4.72 135.00 128.00 3m1a n PRO 222 Ca 0.00 -1.30 -0.27 0.00 -2.02 0.00 0.00 63.50 59.91 3m1a n PRO 222 Cb 0.00 -0.84 0.02 0.00 -0.02 0.00 0.00 33.50 32.66 3m1a n PRO 222 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3m1a s GLY 223 N -0.99 1.57 -0.42 -1.23 0.00 0.02 -4.77 107.32 101.50 3m1a s GLY 223 Ca 0.27 -0.63 -0.10 0.00 0.00 0.00 0.00 44.72 44.26 3m1a s GLY 223 CO -0.16 -0.39 0.28 -0.35 0.00 0.00 0.00 173.10 172.48 3m1a s ASP 224 N -4.23 5.71 0.51 1.64 3.68 -1.26 -1.39 116.67 121.33 3m1a s ASP 224 Ca 0.52 -1.46 0.16 0.00 2.13 0.00 0.00 52.55 53.90 3m1a s ASP 224 Cb -0.10 -2.02 1.23 0.00 -1.45 0.00 0.00 42.92 40.58 3m1a s ASP 224 CO 0.45 -0.55 2.12 -0.65 0.13 0.00 0.00 175.17 176.67 3m1a h PRO 225 N 8.45 0.00 -0.10 4.34 0.11 -1.97 -0.15 132.00 142.69 3m1a h PRO 225 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 3m1a h PRO 225 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3m1a h PRO 225 CO 0.77 0.04 -0.04 0.00 -0.21 0.00 0.00 178.00 178.57 3m1a h ALA 226 N 1.96 0.14 -0.86 -0.75 0.00 -1.94 0.11 119.26 117.92 3m1a h ALA 226 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3m1a h ALA 226 Cb 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3m1a h ALA 226 CO 0.01 -0.11 0.55 1.57 0.00 0.00 0.00 179.25 181.26 3m1a h LYS 227 N -0.15 1.03 -0.40 0.00 2.10 -1.82 -0.06 116.57 117.28 3m1a h LYS 227 Ca 0.02 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 3m1a h LYS 227 Cb 0.47 -0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 31.55 3m1a h LYS 227 CO 0.01 0.68 0.21 0.00 -2.00 0.00 0.00 179.45 178.36 3m1a h ALA 228 N 1.37 0.51 -0.52 0.07 0.00 -0.91 -1.52 119.26 118.25 3m1a h ALA 228 Ca 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3m1a h ALA 228 Cb 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3m1a h ALA 228 CO -0.13 0.05 0.21 0.00 0.00 0.00 0.00 179.25 179.38 3m1a h ALA 229 N 1.06 1.39 -0.36 0.00 0.00 -0.20 -1.88 119.26 119.27 3m1a h ALA 229 Ca 0.14 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3m1a h ALA 229 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3m1a h ALA 229 CO -0.02 0.46 -0.11 0.00 0.00 0.00 0.00 179.25 179.58 3m1a h ALA 230 N 1.49 1.13 -0.17 0.00 0.00 -0.68 -2.82 119.26 118.20 3m1a h ALA 230 Ca 0.18 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3m1a h ALA 230 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3m1a h ALA 230 CO -0.02 0.55 -0.55 0.00 0.00 0.00 0.00 179.25 179.23 3m1a h ALA 231 N 1.30 0.72 -0.18 0.00 0.00 -0.51 0.38 119.26 120.97 3m1a h ALA 231 Ca 0.10 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3m1a h ALA 231 Cb 0.53 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3m1a h ALA 231 CO 0.03 0.69 -0.02 0.82 0.00 0.00 0.00 179.25 180.77 3m1a h ILE 232 N 0.40 0.85 -0.73 0.00 2.04 -1.35 -0.02 117.51 118.69 3m1a h ILE 232 Ca 0.01 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3m1a h ILE 232 Cb 1.09 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3m1a h ILE 232 CO 0.10 0.01 0.26 0.03 0.00 0.00 0.00 178.15 178.55 3m1a h ARG 233 N 0.03 1.11 0.30 2.37 3.08 -1.18 -0.73 114.38 119.36 3m1a h ARG 233 Ca 0.09 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3m1a h ARG 233 Cb 0.12 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3m1a h ARG 233 CO -0.16 0.92 -0.17 1.25 -1.07 0.00 0.00 179.97 180.74 3m1a h LEU 234 N 1.08 -0.41 -0.92 3.04 6.46 -0.78 0.25 115.31 124.02 3m1a h LEU 234 Ca 0.24 0.02 0.18 0.00 -0.12 0.00 0.00 57.88 58.20 3m1a h LEU 234 Cb 0.25 0.12 -0.10 0.00 -0.73 0.00 0.00 40.66 40.19 3m1a h LEU 234 CO -0.01 -0.27 0.51 0.00 -0.62 0.00 0.00 178.44 178.04 3m1a h ALA 235 N 0.26 1.47 -0.06 1.25 0.00 -0.58 -0.21 119.26 121.39 3m1a h ALA 235 Ca -0.03 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3m1a h ALA 235 Cb 0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3m1a h ALA 235 CO 0.04 -0.10 -0.58 -0.07 0.00 0.00 0.00 179.25 178.54 3m1a h LEU 236 N 0.66 0.20 0.00 0.00 3.38 -0.84 -3.24 115.31 115.46 3m1a h LEU 236 Ca 0.53 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.27 3m1a h LEU 236 Cb 0.81 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3m1a h LEU 236 CO -0.39 0.73 -0.65 -0.78 0.09 0.00 0.00 178.44 177.44 3m1a h ASP 237 N 0.13 0.00 -4.07 -0.43 3.58 0.48 -3.47 116.42 112.65 3m1a h ASP 237 Ca -0.00 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.91 3m1a h ASP 237 Cb 1.05 0.00 0.12 0.00 1.72 0.00 0.00 39.33 42.22 3m1a h ASP 237 CO 0.09 0.56 0.52 -0.89 -2.88 0.00 0.00 179.24 176.63 3m1a s THR 238 N -2.93 2.49 0.07 2.25 2.01 -0.23 -4.97 115.64 114.32 3m1a s THR 238 Ca 0.03 0.33 -0.34 0.00 0.31 0.00 0.00 61.69 62.02 3m1a s THR 238 Cb 0.08 -3.15 -0.18 0.00 0.01 0.00 0.00 72.50 69.26 3m1a s THR 238 CO 0.76 -0.04 1.60 1.05 -0.69 0.00 0.00 174.62 177.30 3m1a h GLU 239 N 1.22 -0.98 -5.03 4.92 9.09 -1.90 -3.33 114.58 118.58 3m1a h GLU 239 Ca -0.50 0.07 -0.69 0.00 0.05 0.00 0.00 59.36 58.28 3m1a h GLU 239 Cb 1.29 0.22 -0.18 0.00 -1.65 0.00 0.00 28.75 28.44 3m1a h GLU 239 CO 0.56 -0.65 0.81 -1.59 0.05 0.00 0.00 179.01 178.19 3m1a s LYS 240 N -6.00 3.58 -0.06 1.06 0.00 -1.26 -5.01 119.74 112.04 3m1a s LYS 240 Ca -0.18 -1.73 -0.30 0.00 0.00 0.00 0.00 55.97 53.76 3m1a s LYS 240 Cb 0.04 -4.88 -0.04 0.00 0.00 0.00 0.00 37.83 32.95 3m1a s LYS 240 CO 0.62 -1.77 1.32 0.99 0.00 0.00 0.00 175.35 176.51 3m1a s THR 241 N 2.71 4.01 0.77 3.79 2.01 -1.25 -4.99 115.64 122.70 3m1a s THR 241 Ca 0.32 1.33 -0.11 0.00 0.31 0.00 0.00 61.69 63.54 3m1a s THR 241 Cb -0.05 -3.86 0.06 0.00 0.01 0.00 0.00 72.50 68.66 3m1a s THR 241 CO -0.09 -0.04 1.09 -2.16 -0.69 0.00 0.00 174.62 172.73 3m1a s PRO 242 N 2.71 2.25 0.13 4.92 0.04 -1.26 -4.95 135.00 138.84 3m1a s PRO 242 Ca 0.60 1.12 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 3m1a s PRO 242 Cb -0.27 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3m1a s PRO 242 CO 0.22 -1.63 1.32 1.25 0.04 0.00 0.00 177.00 178.21 3m1a h LEU 243 N -1.12 0.67 -8.44 -3.56 5.85 -1.94 -3.44 115.31 103.35 3m1a h LEU 243 Ca -0.44 -0.49 -0.58 0.00 0.84 0.00 0.00 57.88 57.21 3m1a h LEU 243 Cb 1.23 -0.20 -0.29 0.00 0.37 0.00 0.00 40.66 41.78 3m1a h LEU 243 CO 0.52 1.27 -0.85 -0.13 -0.34 0.00 0.00 178.44 178.91 3m1a s ARG 244 N -3.48 1.55 -0.32 1.25 0.52 -1.26 0.06 118.95 117.28 3m1a s ARG 244 Ca -0.07 -0.76 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 3m1a s ARG 244 Cb 0.09 -1.54 0.10 0.00 0.52 0.00 0.00 34.95 34.13 3m1a s ARG 244 CO 0.88 0.41 0.12 -1.17 0.02 0.00 0.00 175.30 175.56 3m1a s LEU 245 N -0.64 1.78 0.49 2.53 0.20 -0.32 -4.95 118.68 117.76 3m1a s LEU 245 Ca 0.08 -1.64 -0.21 0.00 0.69 0.00 0.00 54.13 53.04 3m1a s LEU 245 Cb -0.08 -0.72 -0.07 0.00 -0.43 0.00 0.00 46.19 44.88 3m1a s LEU 245 CO -0.00 -0.41 1.11 0.00 -0.29 0.00 0.00 176.35 176.76 3m1a s ALA 246 N 1.63 2.87 -0.13 5.97 0.00 -1.26 -0.22 121.76 130.62 3m1a s ALA 246 Ca 0.11 0.79 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 3m1a s ALA 246 Cb -0.18 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3m1a s ALA 246 CO -0.25 -0.56 -0.10 -0.51 0.00 0.00 0.00 175.76 174.33 3m1a s LEU 247 N -3.34 1.40 0.00 0.00 1.43 -0.06 -4.83 118.68 113.27 3m1a s LEU 247 Ca 0.67 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3m1a s LEU 247 Cb -0.23 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.01 3m1a s LEU 247 CO 0.28 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3m1a n GLY 248 N 4.83 2.03 0.16 -3.19 0.00 -1.26 -1.77 105.19 105.99 3m1a n GLY 248 Ca -0.15 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 3m1a n GLY 248 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3m1a h GLY 249 N 0.00 0.37 1.41 -0.02 0.00 -1.98 -2.51 103.07 100.34 3m1a h GLY 249 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 3m1a h GLY 249 CO 0.00 -0.08 0.19 1.29 0.00 0.00 0.00 176.54 177.95 3m1a h ASP 250 N 0.11 0.69 -0.23 0.19 3.04 -1.99 -0.91 116.42 117.32 3m1a h ASP 250 Ca 0.18 -0.09 -0.01 0.00 -3.24 0.00 0.00 57.03 53.87 3m1a h ASP 250 Cb 0.24 -0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 38.34 3m1a h ASP 250 CO -0.29 0.64 0.11 0.00 -2.04 0.00 0.00 179.24 177.66 3m1a h ALA 251 N 1.46 0.30 -0.27 4.15 0.00 -1.69 -0.21 119.26 123.00 3m1a h ALA 251 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m1a h ALA 251 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3m1a h ALA 251 CO -0.01 -0.14 0.17 0.28 0.00 0.00 0.00 179.25 179.55 3m1a h VAL 252 N 0.25 1.06 -0.44 0.00 2.07 -1.02 -0.29 116.25 117.88 3m1a h VAL 252 Ca 0.08 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3m1a h VAL 252 Cb 0.11 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3m1a h VAL 252 CO -0.01 0.06 0.29 0.44 0.02 0.00 0.00 177.57 178.37 3m1a h ASP 253 N 0.36 0.49 0.03 0.57 3.32 -0.99 0.14 116.42 120.33 3m1a h ASP 253 Ca 0.10 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3m1a h ASP 253 Cb -0.03 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3m1a h ASP 253 CO -0.03 0.35 -0.01 -0.26 -1.72 0.00 0.00 179.24 177.57 3m1a h PHE 254 N 0.58 -0.04 -0.81 4.55 0.04 -0.82 -1.48 116.94 118.96 3m1a h PHE 254 Ca 0.16 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.95 3m1a h PHE 254 Cb -0.05 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 3m1a h PHE 254 CO -0.05 0.06 0.53 -0.07 -0.60 0.00 0.00 178.31 178.18 3m1a h LEU 255 N -0.12 0.90 -0.50 1.54 3.38 -0.85 -1.85 115.31 117.81 3m1a h LEU 255 Ca -0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3m1a h LEU 255 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3m1a h LEU 255 CO 0.01 0.63 0.05 0.74 0.09 0.00 0.00 178.44 179.96 3m1a h THR 256 N 1.06 1.26 -0.39 0.22 2.02 -0.88 -1.35 112.91 114.85 3m1a h THR 256 Ca 0.31 -1.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.40 3m1a h THR 256 Cb -0.06 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3m1a h THR 256 CO -0.09 0.35 -0.15 1.23 0.37 0.00 0.00 175.52 177.23 3m1a h GLY 257 N 0.72 0.77 0.88 2.16 0.00 -0.97 -1.37 103.07 105.25 3m1a h GLY 257 Ca 0.15 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 3m1a h GLY 257 CO 0.02 0.54 -0.22 0.84 0.00 0.00 0.00 176.54 177.72 3m1a h HIS 258 N 0.64 0.68 -0.50 5.60 6.17 -1.26 -1.85 115.15 124.61 3m1a h HIS 258 Ca 0.10 -0.20 0.08 0.00 0.71 0.00 0.00 60.37 61.06 3m1a h HIS 258 Cb 0.61 -0.14 -0.06 0.00 2.52 0.00 0.00 27.41 30.34 3m1a h HIS 258 CO 0.03 0.89 0.15 -0.07 0.71 0.00 0.00 177.93 179.65 3m1a h LEU 259 N 0.26 0.12 -0.05 0.26 3.38 -1.01 -0.64 115.31 117.63 3m1a h LEU 259 Ca 0.04 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3m1a h LEU 259 Cb 0.78 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3m1a h LEU 259 CO 0.06 0.09 0.03 0.44 0.09 0.00 0.00 178.44 179.15 3m1a h ASP 260 N 0.31 0.07 -0.38 -0.43 3.32 -1.24 -1.00 116.42 117.07 3m1a h ASP 260 Ca 0.25 -0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.23 3m1a h ASP 260 Cb 0.29 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3m1a h ASP 260 CO -0.28 0.15 0.18 -1.28 -1.72 0.00 0.00 179.24 176.29 3m1a h SER 261 N -0.01 0.25 -0.32 6.45 0.87 -1.09 0.23 113.55 119.92 3m1a h SER 261 Ca 0.02 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3m1a h SER 261 Cb 0.09 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3m1a h SER 261 CO -0.00 0.18 0.05 0.58 -0.53 0.00 0.00 176.83 177.12 3m1a h VAL 262 N 0.37 1.23 -0.53 2.23 2.07 -1.07 -2.09 116.25 118.46 3m1a h VAL 262 Ca 0.16 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3m1a h VAL 262 Cb 0.09 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3m1a h VAL 262 CO -0.13 0.27 0.31 -0.09 0.02 0.00 0.00 177.57 177.95 3m1a h ARG 263 N 0.35 0.72 -0.58 1.57 9.65 -0.95 -1.27 114.38 123.88 3m1a h ARG 263 Ca 0.10 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.85 3m1a h ARG 263 Cb 0.34 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 3m1a h ARG 263 CO 0.01 0.53 0.13 0.00 2.80 0.00 0.00 179.97 183.44 3m1a h ALA 264 N 1.15 1.15 -0.16 2.80 0.00 -0.84 -1.45 119.26 121.91 3m1a h ALA 264 Ca 0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3m1a h ALA 264 Cb -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3m1a h ALA 264 CO -0.03 0.58 -0.25 1.49 0.00 0.00 0.00 179.25 181.04 3m1a h GLU 265 N 0.86 0.45 -0.47 0.00 4.81 -1.12 -1.61 114.58 117.51 3m1a h GLU 265 Ca 0.19 -0.27 0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3m1a h GLU 265 Cb 0.32 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 3m1a h GLU 265 CO 0.00 0.86 0.14 1.25 -0.73 0.00 0.00 179.01 180.53 3m1a h LEU 266 N 0.08 0.10 0.17 1.64 5.85 -1.08 -1.70 115.31 120.38 3m1a h LEU 266 Ca 0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3m1a h LEU 266 Cb 0.82 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3m1a h LEU 266 CO 0.06 0.09 -0.10 0.74 -0.34 0.00 0.00 178.44 178.88 3m1a h THR 267 N 0.29 0.78 -0.74 1.05 2.02 -1.20 -0.62 112.91 114.49 3m1a h THR 267 Ca 0.23 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.50 3m1a h THR 267 Cb 0.26 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 3m1a h THR 267 CO -0.26 0.00 0.39 -0.08 0.37 0.00 0.00 175.52 175.94 3m1a h GLU 268 N -0.26 0.64 -0.37 6.66 4.57 -1.14 -2.97 114.58 121.71 3m1a h GLU 268 Ca -0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3m1a h GLU 268 Cb 0.22 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3m1a h GLU 268 CO 0.02 0.43 0.00 0.91 -1.18 0.00 0.00 179.01 179.19 3m1a n TRP 269 N -4.82 0.49 -0.22 0.92 7.02 -0.65 -4.56 117.44 115.60 3m1a n TRP 269 Ca 0.12 -0.24 -0.06 0.00 -1.02 0.00 0.00 57.50 56.29 3m1a n TRP 269 Cb 0.27 0.00 0.04 0.00 -2.42 0.00 0.00 31.31 29.20 3m1a n TRP 269 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3m1a h GLU 270 N 3.69 0.86 -0.21 -0.99 4.81 -0.94 -0.62 114.58 121.17 3m1a h GLU 270 Ca 0.00 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3m1a h GLU 270 Cb 0.82 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 3m1a h GLU 270 CO 0.00 0.63 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.46 3m1a h LYS 271 N 0.86 -0.23 -0.24 1.92 3.64 -1.82 0.46 116.57 121.16 3m1a h LYS 271 Ca 0.23 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3m1a h LYS 271 Cb -0.01 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3m1a h LYS 271 CO -0.04 -0.16 0.15 0.28 -2.27 0.00 0.00 179.45 177.42 3m1a h VAL 272 N -0.24 1.07 -0.51 2.00 2.07 -1.77 -1.95 116.25 116.92 3m1a h VAL 272 Ca 0.13 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.60 3m1a h VAL 272 Cb 0.43 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.86 3m1a h VAL 272 CO -0.35 0.07 0.04 0.28 0.02 0.00 0.00 177.57 177.63 3m1a h SER 273 N 0.31 -0.12 1.39 0.57 0.02 -0.78 -2.62 113.55 112.32 3m1a h SER 273 Ca 0.09 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3m1a h SER 273 Cb -0.02 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3m1a h SER 273 CO -0.02 -0.03 0.00 0.03 -1.14 0.00 0.00 176.83 175.67 3m1a h ARG 274 N 0.17 0.00 0.00 3.45 3.08 -0.72 -3.30 114.38 117.06 3m1a h ARG 274 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3m1a h ARG 274 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3m1a h ARG 274 CO -0.39 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.92 3m1a n GLY 275 N 0.74 -0.92 0.47 0.04 0.00 -0.75 -3.84 105.19 100.93 3m1a n GLY 275 Ca 0.03 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.99 3m1a n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m1a n THR 276 N -1.04 0.17 -1.94 2.61 -2.24 -1.24 -4.90 114.28 105.70 3m1a n THR 276 Ca 0.20 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 3m1a n THR 276 Cb 0.11 0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.66 3m1a n THR 276 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3m1a s ASP 277 N -1.59 5.62 0.00 3.42 1.01 -1.25 -5.21 116.67 118.66 3m1a s ASP 277 Ca 0.32 1.14 0.21 0.00 0.71 0.00 0.00 52.55 54.93 3m1a s ASP 277 Cb 0.17 -2.01 1.24 0.00 1.01 0.00 0.00 42.92 43.33 3m1a s ASP 277 CO 0.26 -1.22 1.62 0.49 0.21 0.00 0.00 175.17 176.54