#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1a s ALA 5 N 0.00 3.35 0.28 -1.46 0.00 -1.26 -5.04 121.76 117.63 3m1a s ALA 5 Ca 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.41 3m1a s ALA 5 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 3m1a s ALA 5 CO 0.00 0.22 0.63 0.15 0.00 0.00 0.00 175.76 176.76 3m1a s LYS 6 N -1.25 3.86 -0.32 0.00 1.02 -1.26 -4.79 119.74 117.01 3m1a s LYS 6 Ca 0.41 0.41 -0.21 0.00 0.02 0.00 0.00 55.97 56.61 3m1a s LYS 6 Cb -0.25 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 3m1a s LYS 6 CO 0.30 0.23 0.64 0.08 -0.92 0.00 0.00 175.35 175.69 3m1a s VAL 7 N -1.93 4.91 -0.20 3.17 1.01 -1.26 -1.53 120.40 124.57 3m1a s VAL 7 Ca 0.50 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 63.24 3m1a s VAL 7 Cb -0.11 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3m1a s VAL 7 CO 0.21 -0.19 0.05 0.26 0.00 0.00 0.00 175.10 175.43 3m1a s TRP 8 N 2.66 3.16 -0.24 5.22 0.52 0.90 -0.53 118.94 130.62 3m1a s TRP 8 Ca 0.26 -0.14 -0.07 0.00 0.02 0.00 0.00 56.10 56.17 3m1a s TRP 8 Cb -0.15 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.04 3m1a s TRP 8 CO 0.12 -0.03 0.05 -1.17 0.02 0.00 0.00 176.95 175.94 3m1a s LEU 9 N 0.74 3.32 -0.22 2.99 1.98 0.19 -0.18 118.68 127.51 3m1a s LEU 9 Ca 0.02 -0.25 0.02 0.00 -2.89 0.00 0.00 54.13 51.03 3m1a s LEU 9 Cb -0.14 -1.88 0.05 0.00 0.66 0.00 0.00 46.19 44.88 3m1a s LEU 9 CO 0.02 -0.03 -0.12 -0.69 -1.89 0.00 0.00 176.35 173.64 3m1a s VAL 10 N 1.59 1.87 0.54 1.68 1.01 0.35 -0.21 120.40 127.22 3m1a s VAL 10 Ca 0.06 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 60.73 3m1a s VAL 10 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 3m1a s VAL 10 CO 0.02 0.15 0.93 0.42 0.00 0.00 0.00 175.10 176.62 3m1a s THR 11 N 1.29 4.74 -1.55 3.92 -4.23 -0.54 -0.54 115.64 118.73 3m1a s THR 11 Ca -0.03 0.74 -0.10 0.00 -1.18 0.00 0.00 61.69 61.12 3m1a s THR 11 Cb -0.17 -3.83 0.08 0.00 1.34 0.00 0.00 72.50 69.92 3m1a s THR 11 CO -0.08 -0.92 0.68 0.61 -0.54 0.00 0.00 174.62 174.37 3m1a n GLY 12 N -2.25 -0.36 0.02 3.99 0.00 -0.66 -3.30 105.19 102.63 3m1a n GLY 12 Ca 0.04 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.44 2.62 0.17 4.61 0.00 -0.54 -3.85 120.51 119.08 3m1a n ALA 13 Ca -0.09 -0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.20 3m1a n ALA 13 Cb 0.58 -1.49 0.21 0.00 0.00 0.00 0.00 19.45 18.75 3m1a n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3m1a h SER 14 N 0.11 0.00 -5.18 0.00 0.87 -1.88 -3.15 113.55 104.31 3m1a h SER 14 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3m1a h SER 14 Cb 0.13 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.01 3m1a h SER 14 CO 0.00 0.42 -0.03 -0.94 -0.53 0.00 0.00 176.83 175.74 3m1a s SER 15 N -6.41 -0.14 1.04 6.23 1.04 -1.25 -4.78 113.70 109.43 3m1a s SER 15 Ca 0.02 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.62 3m1a s SER 15 Cb 0.09 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.83 3m1a s SER 15 CO 0.71 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 174.36 3m1a n GLY 16 N -0.39 3.10 0.25 7.32 0.00 -0.94 -2.60 105.19 111.92 3m1a n GLY 16 Ca -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 0.77 -0.75 1.61 3.57 -1.89 -1.66 116.94 118.58 3m1a h PHE 17 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3m1a h PHE 17 Cb 0.00 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 3m1a h PHE 17 CO 0.00 0.46 0.39 0.78 -2.23 0.00 0.00 178.31 177.72 3m1a h GLY 18 N 0.82 1.13 0.73 2.40 0.00 -1.62 0.35 103.07 106.88 3m1a h GLY 18 Ca 0.24 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3m1a h GLY 18 CO -0.08 0.50 -0.14 -0.09 0.00 0.00 0.00 176.54 176.74 3m1a h ARG 19 N 1.06 0.33 -0.63 4.80 9.65 -1.29 -1.16 114.38 127.14 3m1a h ARG 19 Ca 0.26 -0.18 0.12 0.00 -1.10 0.00 0.00 59.98 59.09 3m1a h ARG 19 Cb 0.06 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 28.56 3m1a h ARG 19 CO -0.04 0.73 0.16 0.00 2.80 0.00 0.00 179.97 183.62 3m1a h ALA 20 N 0.60 0.78 -0.37 2.80 0.00 -0.99 0.01 119.26 122.09 3m1a h ALA 20 Ca 0.02 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3m1a h ALA 20 Cb 0.67 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3m1a h ALA 20 CO 0.03 -0.28 -0.02 0.82 0.00 0.00 0.00 179.25 179.80 3m1a h ILE 21 N 0.30 1.27 -0.68 0.00 2.04 -0.80 -0.95 117.51 118.68 3m1a h ILE 21 Ca 0.34 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3m1a h ILE 21 Cb 0.50 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3m1a h ILE 21 CO -0.40 0.35 0.33 0.00 0.00 0.00 0.00 178.15 178.43 3m1a h ALA 22 N 0.86 0.88 -0.54 1.87 0.00 -0.78 -1.84 119.26 119.70 3m1a h ALA 22 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3m1a h ALA 22 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3m1a h ALA 22 CO 0.02 0.44 0.11 0.93 0.00 0.00 0.00 179.25 180.75 3m1a h GLU 23 N 0.94 0.87 -0.14 0.00 5.08 -0.88 -2.25 114.58 118.20 3m1a h GLU 23 Ca 0.23 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3m1a h GLU 23 Cb 0.11 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3m1a h GLU 23 CO -0.03 0.83 -0.24 0.00 -1.00 0.00 0.00 179.01 178.58 3m1a h ALA 24 N 1.00 1.34 -0.29 3.43 0.00 -0.94 -0.79 119.26 123.01 3m1a h ALA 24 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3m1a h ALA 24 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3m1a h ALA 24 CO 0.01 0.45 -0.17 0.00 0.00 0.00 0.00 179.25 179.53 3m1a h ALA 25 N 1.54 0.41 -0.53 0.00 0.00 -1.14 -1.28 119.26 118.26 3m1a h ALA 25 Ca 0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3m1a h ALA 25 Cb 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3m1a h ALA 25 CO 0.04 0.33 -0.02 -0.39 0.00 0.00 0.00 179.25 179.21 3m1a h VAL 26 N 0.38 1.26 0.00 0.00 -1.51 -1.15 0.34 116.25 115.57 3m1a h VAL 26 Ca 0.06 -1.10 -0.05 0.00 -1.23 0.00 0.00 66.70 64.38 3m1a h VAL 26 Cb 0.70 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 3m1a h VAL 26 CO 0.05 0.39 -0.25 0.00 -1.23 0.00 0.00 177.57 176.53 3m1a h ALA 27 N 1.14 1.38 -0.01 5.19 0.00 -1.04 -1.58 119.26 124.34 3m1a h ALA 27 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3m1a h ALA 27 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3m1a h ALA 27 CO 0.03 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3m1a n ALA 28 N -2.40 2.64 -0.47 0.00 0.00 -0.49 -4.89 120.51 114.89 3m1a n ALA 28 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3m1a n ALA 28 Cb 0.33 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.99 0.74 3.76 0.00 0.00 -0.59 -5.07 105.19 105.02 3m1a n GLY 29 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.88 3.15 -0.15 1.61 -0.00 0.09 -4.82 116.67 113.67 3m1a s ASP 30 Ca 0.00 0.96 -0.06 0.00 -0.00 0.00 0.00 52.55 53.45 3m1a s ASP 30 Cb 0.00 -1.51 -0.04 0.00 -0.00 0.00 0.00 42.92 41.37 3m1a s ASP 30 CO 0.00 -2.77 0.04 -0.89 -0.00 0.00 0.00 175.17 171.54 3m1a s THR 31 N -3.22 4.58 -0.07 -1.27 2.01 -0.58 -4.30 115.64 112.79 3m1a s THR 31 Ca 0.65 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.56 3m1a s THR 31 Cb -0.15 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.34 3m1a s THR 31 CO 0.54 0.51 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.12 3m1a s VAL 32 N 0.00 1.46 -0.28 3.82 1.01 0.61 -0.07 120.40 126.95 3m1a s VAL 32 Ca 0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3m1a s VAL 32 Cb -0.12 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.00 3m1a s VAL 32 CO 0.01 0.42 0.02 -0.63 0.00 0.00 0.00 175.10 174.93 3m1a s ILE 33 N 0.38 3.44 -0.14 2.22 1.09 0.75 -1.58 121.20 127.36 3m1a s ILE 33 Ca -0.12 -0.95 -0.11 0.00 -1.10 0.00 0.00 60.65 58.37 3m1a s ILE 33 Cb -0.15 -2.81 -0.05 0.00 -1.06 0.00 0.00 42.46 38.39 3m1a s ILE 33 CO 0.04 0.07 0.22 -0.83 -0.10 0.00 0.00 174.94 174.34 3m1a s GLY 34 N 1.40 2.19 0.06 6.18 0.00 -0.12 -0.50 107.32 116.53 3m1a s GLY 34 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 44.72 44.27 3m1a s GLY 34 CO -0.00 0.07 -0.26 -0.51 0.00 0.00 0.00 173.10 172.40 3m1a s THR 35 N -0.23 2.23 0.12 0.90 -4.23 0.30 -0.61 115.64 114.12 3m1a s THR 35 Ca 0.15 -1.43 -0.24 0.00 -1.18 0.00 0.00 61.69 58.98 3m1a s THR 35 Cb -0.13 -1.89 0.07 0.00 1.34 0.00 0.00 72.50 71.89 3m1a s THR 35 CO 0.04 0.32 0.63 0.00 -0.54 0.00 0.00 174.62 175.07 3m1a s ALA 36 N -0.86 -1.64 0.19 3.99 0.00 -0.96 -1.47 121.76 121.01 3m1a s ALA 36 Ca 0.12 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 3m1a s ALA 36 Cb -0.10 0.74 0.11 0.00 0.00 0.00 0.00 23.12 23.86 3m1a s ALA 36 CO 0.03 -0.71 1.84 0.00 0.00 0.00 0.00 175.76 176.93 3m1a h ARG 37 N 2.14 0.85 -6.18 0.00 -0.00 -1.88 -0.00 114.38 109.30 3m1a h ARG 37 Ca -0.32 -0.06 -0.63 0.00 -0.50 0.00 0.00 59.98 58.46 3m1a h ARG 37 Cb 1.28 -0.19 -0.30 0.00 0.00 0.00 0.00 29.97 30.77 3m1a h ARG 37 CO 0.38 0.58 -0.87 1.03 0.00 0.00 0.00 179.97 181.09 3m1a s ARG 38 N -6.07 1.83 0.00 0.04 0.52 -1.26 -4.40 118.95 109.60 3m1a s ARG 38 Ca -0.13 -0.80 0.26 0.00 -0.52 0.00 0.00 55.73 54.54 3m1a s ARG 38 Cb 0.14 -1.76 0.73 0.00 0.52 0.00 0.00 34.95 34.58 3m1a s ARG 38 CO 0.77 0.47 1.56 0.25 0.02 0.00 0.00 175.30 178.37 3m1a n THR 39 N 2.55 0.00 -0.30 0.02 -2.24 -1.26 -4.51 114.28 108.54 3m1a n THR 39 Ca -0.16 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.70 3m1a n THR 39 Cb 0.52 0.21 0.29 0.00 -2.10 0.00 0.00 70.33 69.25 3m1a n THR 39 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3m1a h GLU 40 N 0.50 0.23 0.00 -0.78 4.81 -1.97 0.47 114.58 117.84 3m1a h GLU 40 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3m1a h GLU 40 Cb 0.49 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3m1a h GLU 40 CO 0.00 0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.43 3m1a h ALA 41 N 1.76 1.00 -0.04 2.92 0.00 -1.86 -2.58 119.26 120.47 3m1a h ALA 41 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3m1a h ALA 41 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3m1a h ALA 41 CO -0.63 0.00 0.00 1.28 0.00 0.00 0.00 179.25 179.90 3m1a n LEU 42 N -3.04 1.84 -0.29 0.00 4.77 0.15 -4.37 117.00 116.06 3m1a n LEU 42 Ca -0.00 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3m1a n LEU 42 Cb 0.25 -0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.46 3m1a n LEU 42 CO 0.25 0.32 1.17 0.44 -1.33 0.00 0.00 177.39 178.24 3m1a h ASP 43 N 2.84 0.78 -0.47 -1.43 3.32 -1.52 -1.38 116.42 118.57 3m1a h ASP 43 Ca 0.00 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 3m1a h ASP 43 Cb 0.60 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3m1a h ASP 43 CO 0.00 0.50 -0.24 -2.24 -1.72 0.00 0.00 179.24 175.54 3m1a h ASP 44 N 0.92 1.02 -0.17 6.45 3.04 -1.83 0.00 116.42 125.85 3m1a h ASP 44 Ca 0.36 -0.41 -0.01 0.00 -3.24 0.00 0.00 57.03 53.73 3m1a h ASP 44 Cb 0.17 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.17 3m1a h ASP 44 CO -0.17 1.20 0.08 0.25 -2.04 0.00 0.00 179.24 178.56 3m1a h LEU 45 N 0.83 0.23 -0.27 0.15 5.85 -1.74 0.25 115.31 120.61 3m1a h LEU 45 Ca 0.10 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3m1a h LEU 45 Cb 0.82 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3m1a h LEU 45 CO 0.07 0.30 0.15 0.58 -0.34 0.00 0.00 178.44 179.20 3m1a h VAL 46 N 0.14 1.11 -0.36 1.05 2.07 -1.17 0.11 116.25 119.21 3m1a h VAL 46 Ca 0.06 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3m1a h VAL 46 Cb 0.14 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3m1a h VAL 46 CO -0.01 0.11 -0.26 0.00 0.02 0.00 0.00 177.57 177.44 3m1a h ALA 47 N 1.04 0.87 -0.03 1.67 0.00 -0.92 -1.69 119.26 120.19 3m1a h ALA 47 Ca 0.09 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3m1a h ALA 47 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3m1a h ALA 47 CO -0.02 0.63 -0.61 0.00 0.00 0.00 0.00 179.25 179.26 3m1a h ALA 48 N 1.07 0.93 -2.12 0.00 0.00 -0.30 -3.34 119.26 115.51 3m1a h ALA 48 Ca 0.08 -0.55 -0.58 0.00 0.00 0.00 0.00 54.91 53.87 3m1a h ALA 48 Cb 0.77 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.06 3m1a h ALA 48 CO 0.06 0.74 -0.82 0.66 0.00 0.00 0.00 179.25 179.90 3m1a n TYR 49 N -3.84 2.02 0.31 0.00 4.01 0.37 -4.96 117.16 115.06 3m1a n TYR 49 Ca -0.02 -3.91 0.20 0.00 -0.16 0.00 0.00 57.90 54.01 3m1a n TYR 49 Cb 0.61 -0.47 0.97 0.00 -0.31 0.00 0.00 39.34 40.14 3m1a n TYR 49 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3m1a h PRO 50 N 3.97 0.00 0.00 -0.72 0.11 -1.44 -1.04 132.00 132.88 3m1a h PRO 50 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3m1a h PRO 50 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3m1a h PRO 50 CO 0.68 0.00 -1.13 -0.25 -0.21 0.00 0.00 178.00 177.09 3m1a n ASP 51 N -2.98 0.82 0.00 -2.05 8.00 -1.26 -4.56 116.55 114.53 3m1a n ASP 51 Ca -0.01 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.82 3m1a n ASP 51 Cb 0.15 1.24 0.00 0.00 -0.02 0.00 0.00 41.12 42.49 3m1a n ASP 51 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3m1a n ARG 52 N -1.62 3.19 -4.67 -1.24 1.74 -0.80 -5.02 116.66 108.24 3m1a n ARG 52 Ca 0.01 -0.22 -0.24 0.00 -0.77 0.00 0.00 57.85 56.63 3m1a n ARG 52 Cb 0.34 -0.70 -0.16 0.00 -1.02 0.00 0.00 32.46 30.91 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 -0.52 1.31 0.01 7.54 0.00 -0.46 -0.28 121.76 129.36 3m1a s ALA 53 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3m1a s ALA 53 Cb 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3m1a s ALA 53 CO 0.00 0.20 -0.03 -2.00 0.00 0.00 0.00 175.76 173.93 3m1a s GLU 54 N 0.27 0.24 -0.17 0.00 2.12 -0.61 -4.64 118.70 115.91 3m1a s GLU 54 Ca -0.07 -0.22 -0.03 0.00 0.36 0.00 0.00 54.97 55.00 3m1a s GLU 54 Cb -0.12 -0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.09 3m1a s GLU 54 CO 0.02 0.04 -0.06 0.00 -0.54 0.00 0.00 175.26 174.72 3m1a s ALA 55 N -0.38 2.84 -0.06 6.30 0.00 -1.26 -0.94 121.76 128.26 3m1a s ALA 55 Ca -0.02 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.04 3m1a s ALA 55 Cb -0.03 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 3m1a s ALA 55 CO -0.00 0.02 -0.24 0.42 0.00 0.00 0.00 175.76 175.96 3m1a s ILE 56 N 0.71 2.01 -0.04 0.00 1.01 0.22 -4.97 121.20 120.14 3m1a s ILE 56 Ca -0.03 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 3m1a s ILE 56 Cb -0.15 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3m1a s ILE 56 CO 0.02 0.56 1.37 -0.55 0.00 0.00 0.00 174.94 176.34 3m1a s SER 57 N -0.10 6.88 -0.21 3.58 0.15 -1.26 -2.28 113.70 120.46 3m1a s SER 57 Ca -0.05 2.00 -0.07 0.00 0.70 0.00 0.00 55.95 58.53 3m1a s SER 57 Cb -0.14 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.72 3m1a s SER 57 CO 0.04 -0.73 0.45 -0.22 1.20 0.00 0.00 173.24 173.98 3m1a s LEU 58 N 2.75 -0.72 -0.39 3.45 2.96 -0.01 -4.88 118.68 121.84 3m1a s LEU 58 Ca 0.62 1.03 -0.18 0.00 -0.22 0.00 0.00 54.13 55.38 3m1a s LEU 58 Cb -0.29 1.47 0.01 0.00 0.50 0.00 0.00 46.19 47.88 3m1a s LEU 58 CO 0.24 -0.23 0.47 -0.62 -1.32 0.00 0.00 176.35 174.89 3m1a s ASP 59 N 2.65 6.24 0.00 3.68 -1.08 -1.26 -3.49 116.67 123.42 3m1a s ASP 59 Ca -0.01 -0.35 0.20 0.00 -0.52 0.00 0.00 52.55 51.87 3m1a s ASP 59 Cb -0.12 -2.24 1.02 0.00 -1.46 0.00 0.00 42.92 40.11 3m1a s ASP 59 CO -0.14 -0.53 1.63 1.33 0.52 0.00 0.00 175.17 177.99 3m1a n VAL 60 N 5.45 0.38 0.54 1.11 0.24 -1.26 -1.21 118.33 123.58 3m1a n VAL 60 Ca -0.06 0.10 0.13 0.00 -2.04 0.00 0.00 64.34 62.46 3m1a n VAL 60 Cb 0.48 -0.76 0.43 0.00 -1.47 0.00 0.00 33.84 32.52 3m1a n VAL 60 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3m1a n THR 61 N -1.28 0.68 -3.61 3.34 -1.04 -1.26 -3.99 114.28 107.12 3m1a n THR 61 Ca 0.10 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 3m1a n THR 61 Cb 0.16 -0.78 -0.10 0.00 -1.82 0.00 0.00 70.33 67.79 3m1a n THR 61 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3m1a s ASP 62 N -4.50 5.60 0.25 8.00 -1.08 -0.35 -4.97 116.67 119.63 3m1a s ASP 62 Ca 0.08 -1.73 -0.05 0.00 -0.52 0.00 0.00 52.55 50.34 3m1a s ASP 62 Cb 0.11 -1.97 0.28 0.00 -1.46 0.00 0.00 42.92 39.88 3m1a s ASP 62 CO 0.53 -0.60 1.81 1.23 0.52 0.00 0.00 175.17 178.67 3m1a h GLY 63 N 8.38 1.12 1.00 2.66 0.00 -1.84 -1.77 103.07 112.62 3m1a h GLY 63 Ca -0.21 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 3m1a h GLY 63 CO 0.79 0.57 0.34 0.83 0.00 0.00 0.00 176.54 179.07 3m1a h GLU 64 N 1.02 0.74 -0.66 4.80 3.07 -1.96 -2.20 114.58 119.39 3m1a h GLU 64 Ca 0.23 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 3m1a h GLU 64 Cb 0.22 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 3m1a h GLU 64 CO -0.02 0.52 0.26 -0.09 -1.40 0.00 0.00 179.01 178.28 3m1a h ARG 65 N 0.74 0.99 -0.39 2.33 9.65 -1.81 -1.74 114.38 124.15 3m1a h ARG 65 Ca 0.20 -0.18 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 3m1a h ARG 65 Cb -0.04 -0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 28.31 3m1a h ARG 65 CO -0.04 0.83 -0.10 0.82 2.80 0.00 0.00 179.97 184.29 3m1a h ILE 66 N 0.94 0.61 -0.42 1.20 2.04 -1.06 -0.90 117.51 119.91 3m1a h ILE 66 Ca 0.22 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.10 3m1a h ILE 66 Cb 0.22 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3m1a h ILE 66 CO -0.02 0.00 0.24 0.44 0.00 0.00 0.00 178.15 178.82 3m1a h ASP 67 N -0.00 0.39 -0.30 1.72 3.32 -0.92 0.21 116.42 120.84 3m1a h ASP 67 Ca 0.19 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3m1a h ASP 67 Cb 0.29 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3m1a h ASP 67 CO -0.40 0.28 0.13 0.58 -1.72 0.00 0.00 179.24 178.11 3m1a h VAL 68 N 0.49 1.17 -0.24 -1.35 2.07 -0.92 -1.72 116.25 115.76 3m1a h VAL 68 Ca 0.17 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3m1a h VAL 68 Cb 0.02 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3m1a h VAL 68 CO -0.08 0.18 0.03 0.58 0.02 0.00 0.00 177.57 178.30 3m1a h VAL 69 N 0.34 1.23 -0.35 2.57 2.07 -0.98 0.20 116.25 121.33 3m1a h VAL 69 Ca 0.10 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.90 3m1a h VAL 69 Cb 0.16 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3m1a h VAL 69 CO -0.01 0.25 0.01 0.00 0.02 0.00 0.00 177.57 177.84 3m1a h ALA 70 N 0.84 0.32 -0.90 1.67 0.00 -0.86 -0.93 119.26 119.40 3m1a h ALA 70 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3m1a h ALA 70 Cb 0.34 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3m1a h ALA 70 CO 0.01 -0.39 0.57 0.00 0.00 0.00 0.00 179.25 179.43 3m1a h ALA 71 N 1.30 1.15 -0.37 0.00 0.00 -1.14 -1.66 119.26 118.53 3m1a h ALA 71 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3m1a h ALA 71 Cb 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3m1a h ALA 71 CO -0.28 0.58 0.06 0.22 0.00 0.00 0.00 179.25 179.84 3m1a h ASP 72 N 1.23 0.58 -0.50 0.00 3.58 -0.03 -1.55 116.42 119.74 3m1a h ASP 72 Ca 0.33 -0.26 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 3m1a h ASP 72 Cb -0.09 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 3m1a h ASP 72 CO -0.07 0.69 -0.02 0.58 -2.88 0.00 0.00 179.24 177.54 3m1a h VAL 73 N 0.45 1.26 -0.49 2.25 2.07 -1.08 -2.22 116.25 118.50 3m1a h VAL 73 Ca 0.11 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 3m1a h VAL 73 Cb 0.35 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3m1a h VAL 73 CO 0.01 0.39 0.03 -0.07 0.02 0.00 0.00 177.57 177.94 3m1a h LEU 74 N 0.76 0.76 -0.34 2.57 3.38 -1.21 -0.33 115.31 120.89 3m1a h LEU 74 Ca 0.14 -0.17 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 3m1a h LEU 74 Cb 0.55 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3m1a h LEU 74 CO 0.03 0.81 -0.77 0.00 0.09 0.00 0.00 178.44 178.60 3m1a h ALA 75 N 1.28 0.53 0.11 1.53 0.00 -1.19 -0.66 119.26 120.86 3m1a h ALA 75 Ca 0.15 -0.62 -0.34 0.00 0.00 0.00 0.00 54.91 54.09 3m1a h ALA 75 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3m1a h ALA 75 CO 0.02 0.76 -1.88 0.00 0.00 0.00 0.00 179.25 178.15 3m1a h ARG 76 N 0.29 0.22 0.00 0.00 3.08 -1.28 -3.38 114.38 113.31 3m1a h ARG 76 Ca -0.04 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.60 3m1a h ARG 76 Cb 1.36 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 3m1a h ARG 76 CO 0.13 1.07 -1.64 0.66 -1.07 0.00 0.00 179.97 179.13 3m1a n TYR 77 N -3.40 0.40 0.00 3.04 4.01 -0.15 -4.99 117.16 116.06 3m1a n TYR 77 Ca -0.27 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3m1a n TYR 77 Cb 1.05 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 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 1.26 3.22 3.61 2.72 0.00 -0.25 -4.94 105.19 110.81 3m1a n GLY 78 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.48 0.82 -0.12 1.61 1.70 -1.25 -4.92 118.95 116.32 3m1a s ARG 79 Ca 0.00 -0.38 -0.00 0.00 -0.47 0.00 0.00 55.73 54.87 3m1a s ARG 79 Cb 0.00 0.33 0.02 0.00 -0.57 0.00 0.00 34.95 34.73 3m1a s ARG 79 CO 0.00 -0.37 -0.09 0.08 -1.08 0.00 0.00 175.30 173.84 3m1a s VAL 80 N -3.00 1.11 -0.02 4.99 1.01 -1.26 -4.76 120.40 118.46 3m1a s VAL 80 Ca 0.09 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 3m1a s VAL 80 Cb -0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 36.38 34.95 3m1a s VAL 80 CO -0.04 0.38 0.77 0.44 0.00 0.00 0.00 175.10 176.65 3m1a h ASP 81 N 8.12 0.65 -3.22 3.32 3.32 -1.18 -3.46 116.42 123.97 3m1a h ASP 81 Ca -0.31 -0.89 -0.50 0.00 0.02 0.00 0.00 57.03 55.34 3m1a h ASP 81 Cb 1.13 -0.21 -0.37 0.00 0.22 0.00 0.00 39.33 40.10 3m1a h ASP 81 CO 0.43 1.74 -0.79 -0.69 -1.72 0.00 0.00 179.24 178.21 3m1a s VAL 82 N -2.59 0.83 -0.22 -1.35 1.01 -0.37 -1.19 120.40 116.53 3m1a s VAL 82 Ca -0.14 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 3m1a s VAL 82 Cb 0.05 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3m1a s VAL 82 CO 0.88 0.28 0.11 -0.22 0.00 0.00 0.00 175.10 176.15 3m1a s LEU 83 N 1.78 3.95 -0.27 3.92 2.96 -0.51 -0.64 118.68 129.87 3m1a s LEU 83 Ca 0.04 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3m1a s LEU 83 Cb -0.13 -2.04 0.05 0.00 0.50 0.00 0.00 46.19 44.57 3m1a s LEU 83 CO -0.07 0.11 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.31 3m1a s VAL 84 N 0.80 2.60 -0.68 1.68 1.01 0.71 -0.05 120.40 126.46 3m1a s VAL 84 Ca 0.06 -1.41 -0.24 0.00 0.00 0.00 0.00 61.98 60.39 3m1a s VAL 84 Cb -0.13 -2.47 0.06 0.00 0.00 0.00 0.00 36.38 33.84 3m1a s VAL 84 CO 0.02 -0.00 1.04 0.20 0.00 0.00 0.00 175.10 176.36 3m1a s ASN 85 N 1.20 6.17 0.00 3.32 -0.87 -0.28 -1.47 114.94 123.02 3m1a s ASN 85 Ca -0.05 -0.86 0.00 0.00 -1.57 0.00 0.00 52.86 50.37 3m1a s ASN 85 Cb -0.19 -2.45 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 3m1a s ASN 85 CO -0.04 -1.54 0.00 -3.20 -2.57 0.00 0.00 177.10 169.75 3m1a n ASN 86 N 8.12 2.51 -4.65 -1.22 5.15 -1.23 -1.91 115.26 122.03 3m1a n ASN 86 Ca -0.02 -0.16 -0.41 0.00 -0.60 0.00 0.00 54.58 53.39 3m1a n ASN 86 Cb 0.46 0.82 0.02 0.00 -0.53 0.00 0.00 39.78 40.55 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 -1.07 0.63 0.00 5.20 0.00 -1.21 -4.66 120.51 119.40 3m1a n ALA 87 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3m1a n ALA 87 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.29 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 1.05 -1.96 3.24 0.00 0.00 -1.26 -4.69 105.19 101.57 3m1a n GLY 88 Ca 0.09 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.94 0.94 0.43 1.61 1.70 -1.26 -4.60 118.95 115.82 3m1a s ARG 89 Ca 0.00 -1.04 -0.23 0.00 -0.47 0.00 0.00 55.73 53.99 3m1a s ARG 89 Cb 0.00 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 3m1a s ARG 89 CO 0.00 -0.32 1.07 0.99 -1.08 0.00 0.00 175.30 175.97 3m1a s THR 90 N -3.90 3.59 -0.15 4.99 2.01 -0.66 -4.97 115.64 116.56 3m1a s THR 90 Ca 0.09 1.17 -0.09 0.00 0.31 0.00 0.00 61.69 63.18 3m1a s THR 90 Cb 0.04 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 69.02 3m1a s THR 90 CO -0.07 -0.03 0.37 -1.58 -0.69 0.00 0.00 174.62 172.61 3m1a s GLN 91 N -2.65 0.36 -0.03 4.92 0.74 -1.26 -1.14 119.66 120.61 3m1a s GLN 91 Ca 0.60 0.67 0.02 0.00 0.05 0.00 0.00 55.36 56.70 3m1a s GLN 91 Cb -0.23 0.01 0.01 0.00 1.10 0.00 0.00 33.01 33.90 3m1a s GLN 91 CO 0.28 -0.13 -0.06 0.08 -0.55 0.00 0.00 175.29 174.90 3m1a s VAL 92 N 1.10 0.61 0.00 1.34 1.01 -0.64 -4.54 120.40 119.28 3m1a s VAL 92 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3m1a s VAL 92 Cb -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3m1a s VAL 92 CO -0.09 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3m1a n GLY 93 N 3.62 1.14 3.74 4.51 0.00 -0.41 -1.64 105.19 116.15 3m1a n GLY 93 Ca -0.21 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 3m1a n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1a s ALA 94 N -1.86 2.70 0.26 4.61 0.00 -1.26 -4.08 121.76 122.13 3m1a s ALA 94 Ca 0.00 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 3m1a s ALA 94 Cb 0.00 -3.57 0.54 0.00 0.00 0.00 0.00 23.12 20.09 3m1a s ALA 94 CO 0.00 -1.45 1.72 0.35 0.00 0.00 0.00 175.76 176.38 3m1a h PHE 95 N 1.21 0.54 0.00 0.00 3.04 -1.95 -1.26 116.94 118.51 3m1a h PHE 95 Ca -0.51 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.38 3m1a h PHE 95 Cb 1.31 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.69 3m1a h PHE 95 CO 0.45 0.02 -0.49 1.49 -2.02 0.00 0.00 178.31 177.76 3m1a h GLU 96 N 0.42 0.00 0.00 1.11 4.81 -2.02 -2.84 114.58 116.07 3m1a h GLU 96 Ca 0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 3m1a h GLU 96 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3m1a h GLU 96 CO -0.45 0.49 -0.16 0.39 -0.73 0.00 0.00 179.01 178.55 3m1a n GLU 97 N -3.70 0.09 -2.44 1.92 1.02 -0.56 -4.81 120.64 112.15 3m1a n GLU 97 Ca -0.01 0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 3m1a n GLU 97 Cb 0.55 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 3m1a n GLU 97 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3m1a s THR 98 N -3.04 4.15 0.72 2.62 2.01 -0.69 -4.47 115.64 116.92 3m1a s THR 98 Ca 0.12 1.28 -0.11 0.00 0.31 0.00 0.00 61.69 63.29 3m1a s THR 98 Cb 0.17 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.49 3m1a s THR 98 CO 0.60 -0.54 1.07 0.42 -0.69 0.00 0.00 174.62 175.48 3m1a s THR 99 N 4.44 3.84 0.25 -0.82 -4.23 -1.26 -4.89 115.64 112.98 3m1a s THR 99 Ca 0.55 0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 61.62 3m1a s THR 99 Cb -0.15 -3.28 0.25 0.00 1.34 0.00 0.00 72.50 70.66 3m1a s THR 99 CO 0.24 -0.78 1.89 -0.08 -0.54 0.00 0.00 174.62 175.35 3m1a h GLU 100 N -0.82 1.16 -0.47 3.99 4.81 -1.98 -1.93 114.58 119.33 3m1a h GLU 100 Ca -0.44 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3m1a h GLU 100 Cb 1.22 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3m1a h GLU 100 CO 0.56 0.77 0.27 0.00 -0.73 0.00 0.00 179.01 179.87 3m1a h ARG 101 N 1.19 0.65 -0.73 1.92 3.08 -1.98 0.14 114.38 118.65 3m1a h ARG 101 Ca 0.40 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.42 3m1a h ARG 101 Cb 0.06 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 3m1a h ARG 101 CO -0.14 0.50 0.45 0.93 -1.07 0.00 0.00 179.97 180.64 3m1a h GLU 102 N 0.62 0.84 0.00 0.04 5.08 -1.85 0.92 114.58 120.24 3m1a h GLU 102 Ca 0.17 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3m1a h GLU 102 Cb 0.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3m1a h GLU 102 CO -0.03 0.56 -0.00 1.25 -1.00 0.00 0.00 179.01 179.79 3m1a h LEU 103 N 0.87 -0.00 -0.59 1.33 5.85 -0.98 -2.71 115.31 119.09 3m1a h LEU 103 Ca 0.30 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3m1a h LEU 103 Cb 0.06 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3m1a h LEU 103 CO -0.13 0.38 0.34 0.03 -0.34 0.00 0.00 178.44 178.72 3m1a h ARG 104 N -0.38 0.65 -0.58 1.25 3.08 -0.63 -1.65 114.38 116.11 3m1a h ARG 104 Ca -0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3m1a h ARG 104 Cb 0.38 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3m1a h ARG 104 CO 0.00 0.43 0.35 -0.44 -1.07 0.00 0.00 179.97 179.24 3m1a h ASP 105 N 0.67 0.57 -0.64 7.04 3.32 -0.85 -0.10 116.42 126.43 3m1a h ASP 105 Ca 0.24 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 3m1a h ASP 105 Cb 0.06 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3m1a h ASP 105 CO -0.12 0.40 0.05 0.25 -1.72 0.00 0.00 179.24 178.09 3m1a h LEU 106 N 0.69 1.07 -1.28 1.55 5.85 -1.30 -2.22 115.31 119.66 3m1a h LEU 106 Ca 0.23 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3m1a h LEU 106 Cb 0.03 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3m1a h LEU 106 CO -0.10 1.09 0.01 -0.26 -0.34 0.00 0.00 178.44 178.83 3m1a h PHE 107 N 1.02 0.50 -0.49 1.25 0.04 -0.73 -1.32 116.94 117.22 3m1a h PHE 107 Ca 0.19 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 3m1a h PHE 107 Cb 0.51 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3m1a h PHE 107 CO 0.04 0.49 0.20 0.93 -0.60 0.00 0.00 178.31 179.37 3m1a h GLU 108 N 0.47 0.73 -0.27 1.51 4.39 -0.50 -0.34 114.58 120.57 3m1a h GLU 108 Ca 0.10 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 3m1a h GLU 108 Cb 0.30 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3m1a h GLU 108 CO 0.01 0.65 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.22 3m1a h LEU 109 N 0.65 0.66 0.00 1.33 3.38 -1.17 -2.03 115.31 118.12 3m1a h LEU 109 Ca 0.16 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3m1a h LEU 109 Cb 0.19 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3m1a h LEU 109 CO -0.01 0.98 -1.49 1.41 0.09 0.00 0.00 178.44 179.41 3m1a n HIS 110 N -4.35 0.00 0.06 1.13 8.25 -0.52 -4.47 115.22 115.33 3m1a n HIS 110 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3m1a n HIS 110 Cb 0.42 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.88 0.86 -0.04 1.59 0.31 -0.24 -4.67 118.33 114.26 3m1a n VAL 111 Ca -0.00 0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 64.47 3m1a n VAL 111 Cb 0.43 -1.29 -0.08 0.00 -0.91 0.00 0.00 33.84 31.99 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 0.39 0.25 3.52 0.04 -1.34 -0.97 116.94 118.83 3m1a h PHE 112 Ca 0.00 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 3m1a h PHE 112 Cb 0.00 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3m1a h PHE 112 CO 0.00 0.78 -0.20 0.78 -0.60 0.00 0.00 178.31 179.07 3m1a h GLY 113 N -0.11 -0.47 0.83 -1.45 0.00 -1.49 -0.63 103.07 99.75 3m1a h GLY 113 Ca 0.01 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.62 3m1a h GLY 113 CO 0.04 -0.20 0.66 -2.55 0.00 0.00 0.00 176.54 174.49 3m1a h PRO 114 N -0.46 1.20 -0.62 4.80 0.11 -1.78 -0.60 132.00 134.65 3m1a h PRO 114 Ca -0.01 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.04 3m1a h PRO 114 Cb 0.42 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 3m1a h PRO 114 CO -0.02 0.80 0.40 0.00 -0.21 0.00 0.00 178.00 178.97 3m1a h ALA 115 N 1.43 0.79 -0.42 -0.75 0.00 -0.99 -1.03 119.26 118.30 3m1a h ALA 115 Ca 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 3m1a h ALA 115 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3m1a h ALA 115 CO -0.14 0.19 0.14 -0.09 0.00 0.00 0.00 179.25 179.35 3m1a h ARG 116 N 0.81 0.65 -0.42 0.00 2.43 -0.59 -1.58 114.38 115.67 3m1a h ARG 116 Ca 0.23 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3m1a h ARG 116 Cb -0.06 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3m1a h ARG 116 CO -0.07 0.63 0.10 1.25 -1.51 0.00 0.00 179.97 180.37 3m1a h LEU 117 N 0.54 0.64 -0.52 3.80 6.46 -0.98 -2.28 115.31 122.97 3m1a h LEU 117 Ca 0.14 -0.24 0.01 0.00 -0.12 0.00 0.00 57.88 57.67 3m1a h LEU 117 Cb 0.25 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 3m1a h LEU 117 CO -0.01 0.71 0.34 0.74 -0.62 0.00 0.00 178.44 179.60 3m1a h THR 118 N 0.54 1.11 -0.90 1.05 2.02 -1.12 -2.40 112.91 113.21 3m1a h THR 118 Ca 0.13 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3m1a h THR 118 Cb 0.33 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 3m1a h THR 118 CO 0.00 0.12 0.56 0.03 0.37 0.00 0.00 175.52 176.60 3m1a h ARG 119 N 0.68 1.22 0.00 6.66 3.08 -1.15 0.23 114.38 125.10 3m1a h ARG 119 Ca 0.20 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3m1a h ARG 119 Cb -0.05 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 3m1a h ARG 119 CO -0.06 0.84 -0.30 0.00 -1.07 0.00 0.00 179.97 179.38 3m1a h ALA 120 N 1.37 1.29 0.00 0.04 0.00 -0.97 -3.21 119.26 117.79 3m1a h ALA 120 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3m1a h ALA 120 Cb -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3m1a h ALA 120 CO -0.06 0.38 -1.41 1.28 0.00 0.00 0.00 179.25 179.44 3m1a n LEU 121 N -3.88 0.47 -0.23 0.00 4.77 -0.87 -4.52 117.00 112.74 3m1a n LEU 121 Ca -0.02 -0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 3m1a n LEU 121 Cb 0.38 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 3m1a n LEU 121 CO 0.36 0.12 1.06 0.25 -1.33 0.00 0.00 177.39 177.85 3m1a h LEU 122 N 0.00 0.83 -0.45 2.23 5.85 -0.97 -3.17 115.31 119.63 3m1a h LEU 122 Ca 0.00 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3m1a h LEU 122 Cb 0.69 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3m1a h LEU 122 CO 0.00 0.70 0.16 -0.65 -0.34 0.00 0.00 178.44 178.31 3m1a h PRO 123 N 0.89 0.32 -1.86 5.25 0.11 -1.80 -0.49 132.00 134.43 3m1a h PRO 123 Ca 0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3m1a h PRO 123 Cb 0.07 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3m1a h PRO 123 CO -0.03 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 177.97 3m1a n GLN 124 N -5.01 0.18 0.00 1.05 -0.00 -1.20 -0.93 117.38 111.47 3m1a n GLN 124 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.04 3m1a n GLN 124 Cb 0.17 -1.41 0.00 0.00 -0.00 0.00 0.00 30.24 29.01 3m1a n GLN 124 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3m1a n ARG 126 N 1.13 0.00 -0.08 2.61 0.63 -0.19 -2.08 116.66 118.68 3m1a n ARG 126 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3m1a n ARG 126 Cb 0.09 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.22 3m1a n ARG 126 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3m1a h GLU 127 N 0.00 0.72 -0.04 -0.14 5.08 -1.29 -2.84 114.58 116.06 3m1a h GLU 127 Ca 0.00 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 58.00 3m1a h GLU 127 Cb 0.00 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3m1a h GLU 127 CO 0.00 0.69 -0.83 -0.09 -1.00 0.00 0.00 179.01 177.79 3m1a h ARG 128 N 0.69 0.40 0.00 2.33 2.43 -1.66 -3.48 114.38 115.09 3m1a h ARG 128 Ca 0.15 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3m1a h ARG 128 Cb 0.34 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3m1a h ARG 128 CO 0.01 1.03 0.00 0.41 -1.51 0.00 0.00 179.97 179.90 3m1a n GLY 129 N 0.74 0.67 3.45 2.80 0.00 -1.07 -5.07 105.19 106.70 3m1a n GLY 129 Ca -0.05 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.65 -0.59 0.00 1.61 1.04 -1.26 -4.49 113.70 107.37 3m1a s SER 130 Ca 0.00 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.66 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 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3m1a n GLY 131 N 0.06 3.66 3.16 7.32 0.00 -1.26 -4.67 105.19 113.46 3m1a n GLY 131 Ca -0.18 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 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 1.86 -0.20 1.61 0.01 -0.33 -0.10 113.70 116.55 3m1a s SER 132 Ca 0.00 -0.39 -0.00 0.00 1.31 0.00 0.00 55.95 56.86 3m1a s SER 132 Cb 0.00 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.08 3m1a s SER 132 CO 0.00 0.12 -0.14 -0.69 0.41 0.00 0.00 173.24 172.94 3m1a s VAL 133 N -0.63 2.47 -0.28 3.43 1.01 0.17 -1.43 120.40 125.14 3m1a s VAL 133 Ca 0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3m1a s VAL 133 Cb -0.07 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3m1a s VAL 133 CO 0.01 0.44 -0.00 -0.69 0.00 0.00 0.00 175.10 174.85 3m1a s VAL 134 N 1.33 3.21 -0.23 2.92 1.01 0.92 -0.92 120.40 128.64 3m1a s VAL 134 Ca 0.04 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 3m1a s VAL 134 Cb -0.14 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3m1a s VAL 134 CO -0.09 0.07 0.02 0.20 0.00 0.00 0.00 175.10 175.30 3m1a s ASN 135 N 1.35 4.78 -0.59 3.32 0.02 0.41 -1.13 114.94 123.11 3m1a s ASN 135 Ca -0.01 -0.27 -0.25 0.00 -1.02 0.00 0.00 52.86 51.31 3m1a s ASN 135 Cb -0.18 -1.84 0.04 0.00 0.02 0.00 0.00 41.25 39.29 3m1a s ASN 135 CO -0.02 -0.02 1.03 -0.63 0.02 0.00 0.00 177.10 177.48 3m1a s ILE 136 N 1.48 4.25 0.00 0.60 -1.09 -0.80 -0.76 121.20 124.88 3m1a s ILE 136 Ca 0.06 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 3m1a s ILE 136 Cb -0.15 -4.63 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 3m1a s ILE 136 CO 0.01 -1.27 0.00 -0.24 -1.23 0.00 0.00 174.94 172.21 3m1a n SER 137 N 7.86 0.00 -3.61 3.58 2.88 0.64 -4.89 113.62 120.08 3m1a n SER 137 Ca 0.03 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.54 3m1a n SER 137 Cb 0.48 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.83 -0.13 0.55 -3.46 0.15 -1.21 -4.40 113.70 104.38 3m1a s SER 138 Ca 0.00 -0.07 0.26 0.00 0.70 0.00 0.00 55.95 56.83 3m1a s SER 138 Cb 0.00 0.19 1.47 0.00 -1.71 0.00 0.00 66.02 65.97 3m1a s SER 138 CO 0.00 -0.32 2.04 2.19 1.20 0.00 0.00 173.24 178.35 3m1a h PHE 139 N 2.00 0.00 0.00 3.44 -5.15 -1.71 -1.07 116.94 114.44 3m1a h PHE 139 Ca -0.18 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.59 3m1a h PHE 139 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 3m1a h PHE 139 CO 0.30 0.00 0.00 0.41 -2.00 0.00 0.00 178.31 177.02 3m1a n GLY 140 N -1.54 -0.83 0.00 6.09 0.00 -1.26 -1.88 105.19 105.77 3m1a n GLY 140 Ca 0.05 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.32 -0.96 0.00 -0.02 0.00 -0.41 -3.48 105.19 99.01 3m1a n GLY 141 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.41 5.38 -3.43 1.61 6.02 -0.79 -3.92 117.38 120.84 3m1a n GLN 142 Ca 0.05 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.90 3m1a n GLN 142 Cb 0.16 -0.44 -0.02 0.00 1.02 0.00 0.00 30.24 30.96 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 -1.55 -0.55 0.27 1.08 0.05 -1.22 -5.04 118.68 111.72 3m1a s LEU 143 Ca 0.00 0.01 -0.03 0.00 0.05 0.00 0.00 54.13 54.15 3m1a s LEU 143 Cb 0.00 2.54 -0.02 0.00 -2.05 0.00 0.00 46.19 46.66 3m1a s LEU 143 CO 0.00 -0.93 0.34 -0.55 -0.55 0.00 0.00 176.35 174.66 3m1a s SER 144 N -2.71 0.52 0.22 1.48 0.15 -1.26 -4.35 113.70 107.76 3m1a s SER 144 Ca 0.01 -1.35 -0.22 0.00 0.70 0.00 0.00 55.95 55.09 3m1a s SER 144 Cb -0.01 0.54 0.06 0.00 -1.71 0.00 0.00 66.02 64.90 3m1a s SER 144 CO -0.12 -1.08 0.91 0.72 1.20 0.00 0.00 173.24 174.87 3m1a s PHE 145 N -3.70 -0.05 -0.11 3.44 -0.71 -1.26 -5.07 117.98 110.52 3m1a s PHE 145 Ca 0.32 -0.37 -0.41 0.00 -1.04 0.00 0.00 56.93 55.43 3m1a s PHE 145 Cb 0.02 0.70 -0.19 0.00 -1.21 0.00 0.00 43.02 42.34 3m1a s PHE 145 CO 0.16 -1.04 1.26 0.00 -1.34 0.00 0.00 175.22 174.25 3m1a n ALA 146 N -0.54 -2.59 -0.27 1.99 0.00 -1.26 -1.45 120.51 116.39 3m1a n ALA 146 Ca -0.05 0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3m1a n ALA 146 Cb 0.60 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 2.32 1.30 0.10 0.00 0.00 -1.26 -4.69 105.19 102.97 3m1a n GLY 147 Ca 0.22 0.00 0.01 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 0.07 -0.16 1.61 -0.00 -0.53 -1.29 117.46 115.16 3m1a n PHE 148 Ca 0.00 -0.51 -0.09 0.00 -0.00 0.00 0.00 57.45 56.84 3m1a n PHE 148 Cb 0.00 -0.05 -0.00 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 0.31 0.72 -0.16 -2.13 4.64 -1.78 -0.53 113.55 114.61 3m1a h SER 149 Ca 0.00 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 3m1a h SER 149 Cb 0.55 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3m1a h SER 149 CO 0.00 0.79 0.01 0.00 -0.87 0.00 0.00 176.83 176.76 3m1a h ALA 150 N 0.96 0.22 0.23 5.18 0.00 -1.88 0.20 119.26 124.18 3m1a h ALA 150 Ca 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3m1a h ALA 150 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3m1a h ALA 150 CO 0.01 -0.09 -0.19 -0.92 0.00 0.00 0.00 179.25 178.06 3m1a h TYR 151 N 0.04 -0.50 -0.78 0.00 3.20 -1.78 -1.49 116.97 115.67 3m1a h TYR 151 Ca 0.05 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3m1a h TYR 151 Cb 0.36 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 3m1a h TYR 151 CO 0.03 -0.29 0.51 0.77 -1.64 0.00 0.00 178.16 177.54 3m1a h SER 152 N -0.44 0.86 -0.71 -2.11 0.02 -1.10 -1.29 113.55 108.78 3m1a h SER 152 Ca -0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3m1a h SER 152 Cb 0.39 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3m1a h SER 152 CO -0.02 0.61 0.44 0.00 -1.14 0.00 0.00 176.83 176.72 3m1a h ALA 153 N 1.31 0.90 -0.30 3.77 0.00 -0.72 0.20 119.26 124.43 3m1a h ALA 153 Ca 0.30 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 3m1a h ALA 153 Cb -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3m1a h ALA 153 CO -0.09 0.36 -0.51 1.79 0.00 0.00 0.00 179.25 180.80 3m1a h THR 154 N 0.97 1.28 -0.25 0.00 1.35 -0.85 -2.37 112.91 113.04 3m1a h THR 154 Ca 0.26 -1.69 -0.16 0.00 -0.55 0.00 0.00 66.41 64.26 3m1a h THR 154 Cb -0.05 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3m1a h THR 154 CO -0.05 0.55 -0.51 0.11 -0.25 0.00 0.00 175.52 175.38 3m1a h LYS 155 N 0.66 0.69 -0.59 4.72 1.79 -0.99 -1.80 116.57 121.05 3m1a h LYS 155 Ca 0.02 -0.41 -0.04 0.00 -2.18 0.00 0.00 60.65 58.04 3m1a h LYS 155 Cb 1.12 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.78 3m1a h LYS 155 CO 0.12 1.03 0.22 0.00 -1.08 0.00 0.00 179.45 179.74 3m1a h ALA 156 N 0.89 0.77 -0.40 3.86 0.00 -0.63 0.76 119.26 124.52 3m1a h ALA 156 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3m1a h ALA 156 Cb 1.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3m1a h ALA 156 CO 0.10 0.40 0.26 0.00 0.00 0.00 0.00 179.25 180.01 3m1a h ALA 157 N 1.07 0.51 -0.73 0.00 0.00 -1.32 -1.55 119.26 117.25 3m1a h ALA 157 Ca 0.19 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3m1a h ALA 157 Cb 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3m1a h ALA 157 CO -0.01 -0.02 0.44 1.25 0.00 0.00 0.00 179.25 180.91 3m1a h LEU 158 N 0.53 0.71 -0.68 0.00 5.85 -1.03 -1.42 115.31 119.27 3m1a h LEU 158 Ca 0.15 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3m1a h LEU 158 Cb -0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3m1a h LEU 158 CO -0.03 0.48 0.40 -0.33 -0.34 0.00 0.00 178.44 178.62 3m1a h GLU 159 N 0.85 0.93 -0.01 1.25 5.08 -0.47 -1.35 114.58 120.86 3m1a h GLU 159 Ca 0.30 -0.09 -0.22 0.00 -1.00 0.00 0.00 59.36 58.35 3m1a h GLU 159 Cb 0.08 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3m1a h GLU 159 CO -0.14 0.67 -0.93 1.96 -1.00 0.00 0.00 179.01 179.58 3m1a h GLN 160 N 0.92 0.43 -0.72 2.33 1.08 -1.02 0.11 115.11 118.24 3m1a h GLN 160 Ca 0.24 -0.45 0.11 0.00 -1.45 0.00 0.00 58.65 57.11 3m1a h GLN 160 Cb -0.01 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.46 3m1a h GLN 160 CO -0.04 1.11 0.32 -0.07 -0.95 0.00 0.00 178.83 179.20 3m1a h LEU 161 N 0.24 0.37 -0.45 1.46 4.07 -1.19 -1.92 115.31 117.89 3m1a h LEU 161 Ca -0.08 0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 3m1a h LEU 161 Cb 1.56 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.31 3m1a h LEU 161 CO 0.16 0.19 0.02 0.28 -1.08 0.00 0.00 178.44 178.01 3m1a h SER 162 N 0.52 0.77 -0.38 -0.43 0.02 -0.49 -0.62 113.55 112.94 3m1a h SER 162 Ca 0.37 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3m1a h SER 162 Cb 0.47 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3m1a h SER 162 CO -0.32 0.88 0.25 -0.33 -1.14 0.00 0.00 176.83 176.16 3m1a h GLU 163 N 0.64 0.51 -0.12 3.45 5.08 -0.55 0.18 114.58 123.77 3m1a h GLU 163 Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3m1a h GLU 163 Cb 0.47 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3m1a h GLU 163 CO 0.02 0.36 0.05 0.78 -1.00 0.00 0.00 179.01 179.22 3m1a h GLY 164 N 0.51 0.19 0.73 -3.84 0.00 -1.29 -2.90 103.07 96.47 3m1a h GLY 164 Ca 0.14 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.43 3m1a h GLY 164 CO -0.03 0.09 0.53 -2.00 0.00 0.00 0.00 176.54 175.14 3m1a h LEU 165 N 0.04 0.84 -0.85 3.11 5.85 -0.94 -2.67 115.31 120.69 3m1a h LEU 165 Ca 0.04 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3m1a h LEU 165 Cb 0.16 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3m1a h LEU 165 CO -0.00 0.54 0.43 0.00 -0.34 0.00 0.00 178.44 179.06 3m1a h ALA 166 N 1.40 1.09 -0.32 1.25 0.00 -0.84 -1.37 119.26 120.47 3m1a h ALA 166 Ca 0.37 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3m1a h ALA 166 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3m1a h ALA 166 CO -0.17 0.64 -0.32 0.22 0.00 0.00 0.00 179.25 179.61 3m1a h ASP 167 N 1.20 0.74 -0.38 0.00 3.58 -1.31 -2.07 116.42 118.17 3m1a h ASP 167 Ca 0.29 -0.30 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 3m1a h ASP 167 Cb 0.09 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 3m1a h ASP 167 CO -0.04 1.00 -0.28 -0.33 -2.88 0.00 0.00 179.24 176.71 3m1a h GLU 168 N 0.60 0.87 -0.02 0.28 5.08 -1.11 -3.35 114.58 116.93 3m1a h GLU 168 Ca 0.07 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3m1a h GLU 168 Cb 0.84 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3m1a h GLU 168 CO 0.07 1.07 -0.45 1.33 -1.00 0.00 0.00 179.01 180.03 3m1a n VAL 169 N -4.17 0.00 -0.23 3.13 0.24 -0.56 -4.36 118.33 112.39 3m1a n VAL 169 Ca -0.02 -0.28 -0.02 0.00 -2.04 0.00 0.00 64.34 61.99 3m1a n VAL 169 Cb 0.48 1.28 0.05 0.00 -1.47 0.00 0.00 33.84 34.17 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 3.94 0.25 0.00 2.33 0.00 -1.50 -1.35 119.26 122.92 3m1a h ALA 170 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3m1a h ALA 170 Cb 0.78 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3m1a h ALA 170 CO 0.00 -0.53 0.00 -1.35 0.00 0.00 0.00 179.25 177.37 3m1a h PRO 171 N -0.07 0.00 -0.01 0.00 0.11 -1.83 0.10 132.00 130.31 3m1a h PRO 171 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3m1a h PRO 171 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3m1a h PRO 171 CO -0.71 0.00 -0.27 1.19 -0.21 0.00 0.00 178.00 178.00 3m1a n PHE 172 N -2.56 0.00 -0.71 0.65 0.99 -0.53 -4.95 117.46 110.35 3m1a n PHE 172 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3m1a n PHE 172 Cb 0.15 -0.16 0.00 0.00 -1.00 0.00 0.00 39.48 38.47 3m1a n PHE 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3m1a n GLY 173 N 1.36 0.65 3.74 1.37 0.00 0.36 -3.98 105.19 108.69 3m1a n GLY 173 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.07 4.86 -0.04 -0.61 1.01 -1.09 -4.19 121.20 119.08 3m1a s ILE 174 Ca 0.00 1.52 -0.09 0.00 0.00 0.00 0.00 60.65 62.07 3m1a s ILE 174 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 3m1a s ILE 174 CO 0.00 0.33 0.27 -0.54 0.00 0.00 0.00 174.94 175.01 3m1a s LYS 175 N 0.21 3.65 -0.10 2.79 1.02 0.85 -4.19 119.74 123.96 3m1a s LYS 175 Ca 0.37 0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.46 3m1a s LYS 175 Cb -0.19 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 33.97 3m1a s LYS 175 CO 0.21 0.70 -0.16 0.08 -0.92 0.00 0.00 175.35 175.26 3m1a s VAL 176 N -1.14 1.50 -0.13 3.17 1.01 -1.26 -0.65 120.40 122.90 3m1a s VAL 176 Ca 0.22 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 3m1a s VAL 176 Cb -0.14 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3m1a s VAL 176 CO 0.11 0.44 -0.11 -0.22 0.00 0.00 0.00 175.10 175.32 3m1a s LEU 177 N 0.87 1.43 -0.33 3.92 2.96 -0.10 -4.50 118.68 122.93 3m1a s LEU 177 Ca -0.09 -0.39 -0.15 0.00 -0.22 0.00 0.00 54.13 53.28 3m1a s LEU 177 Cb -0.15 -1.01 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 3m1a s LEU 177 CO 0.00 -0.09 0.33 -0.63 -1.32 0.00 0.00 176.35 174.65 3m1a s ILE 178 N 1.59 5.19 -0.16 6.68 1.01 0.08 -0.44 121.20 135.15 3m1a s ILE 178 Ca 0.05 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 3m1a s ILE 178 Cb -0.13 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 3m1a s ILE 178 CO -0.09 -0.04 0.20 -0.69 0.00 0.00 0.00 174.94 174.32 3m1a s VAL 179 N 1.96 5.37 -0.70 2.92 1.01 0.06 -0.16 120.40 130.87 3m1a s VAL 179 Ca 0.11 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.49 3m1a s VAL 179 Cb -0.17 -3.53 0.19 0.00 0.00 0.00 0.00 36.38 32.88 3m1a s VAL 179 CO 0.11 0.46 0.58 -0.62 0.00 0.00 0.00 175.10 175.63 3m1a n GLU 180 N 3.18 2.07 -2.13 2.72 1.02 0.87 -0.26 120.64 128.10 3m1a n GLU 180 Ca -0.15 -4.55 -0.33 0.00 -0.02 0.00 0.00 57.16 52.11 3m1a n GLU 180 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 3m1a n GLU 180 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3m1a s PRO 181 N -1.77 3.45 0.00 3.49 0.04 -1.26 -1.47 135.00 137.47 3m1a s PRO 181 Ca 0.29 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.50 3m1a s PRO 181 Cb 0.01 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3m1a s PRO 181 CO -0.12 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.62 3m1a n GLY 182 N -1.05 1.69 3.71 0.56 0.00 -0.44 -3.28 105.19 106.37 3m1a n GLY 182 Ca 0.08 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.22 3.23 0.18 4.61 0.00 -1.26 -5.01 121.76 120.28 3m1a s ALA 183 Ca 0.00 0.42 0.11 0.00 0.00 0.00 0.00 51.96 52.49 3m1a s ALA 183 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3m1a s ALA 183 CO 0.00 -0.25 -0.21 -0.06 0.00 0.00 0.00 175.76 175.24 3m1a s PHE 184 N 1.08 2.39 0.47 0.00 0.40 -1.26 -1.94 117.98 119.12 3m1a s PHE 184 Ca 0.48 -0.33 -0.24 0.00 -0.60 0.00 0.00 56.93 56.25 3m1a s PHE 184 Cb -0.20 -1.20 -0.07 0.00 0.51 0.00 0.00 43.02 42.06 3m1a s PHE 184 CO 0.24 0.47 1.33 0.50 0.70 0.00 0.00 175.22 178.46 3m1a s ARG 185 N -2.58 3.59 0.00 0.44 6.06 0.46 -4.82 118.95 122.11 3m1a s ARG 185 Ca 0.20 2.18 0.00 0.00 -2.50 0.00 0.00 55.73 55.61 3m1a s ARG 185 Cb -0.09 -2.50 0.00 0.00 0.06 0.00 0.00 34.95 32.42 3m1a s ARG 185 CO 0.10 -0.81 0.35 0.25 -2.50 0.00 0.00 175.30 172.69 3m1a n THR 186 N -0.44 0.00 0.23 4.11 -2.24 -1.26 -4.72 114.28 109.96 3m1a n THR 186 Ca 0.07 -0.49 0.07 0.00 -2.27 0.00 0.00 64.05 61.43 3m1a n THR 186 Cb 0.44 1.01 0.56 0.00 -2.10 0.00 0.00 70.33 70.24 3m1a n THR 186 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3m1a h ASN 187 N 0.00 0.00 0.00 3.42 2.35 -1.93 -0.90 115.58 118.52 3m1a h ASN 187 Ca 0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 3m1a h ASN 187 Cb 0.01 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 3m1a h ASN 187 CO 0.00 0.20 -1.80 0.00 -1.65 0.00 0.00 177.43 174.17 3m1a n LEU 188 N -4.02 1.90 0.01 1.61 -0.00 -1.26 -4.66 117.00 110.58 3m1a n LEU 188 Ca -0.02 0.39 0.11 0.00 -0.00 0.00 0.00 56.01 56.49 3m1a n LEU 188 Cb 0.27 -0.89 0.03 0.00 -0.00 0.00 0.00 43.42 42.83 3m1a n LEU 188 CO 0.34 0.38 0.07 0.49 -0.00 0.00 0.00 177.39 178.67 3m1a n PHE 189 N -4.36 0.11 0.00 1.47 3.72 -1.24 -5.04 117.46 112.12 3m1a n PHE 189 Ca -0.41 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3m1a n PHE 189 Cb 0.76 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 1.43 0.66 3.22 1.37 0.00 -0.34 -2.22 105.19 109.31 3m1a n GLY 190 Ca 0.03 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 3m1a n GLY 190 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m1a s LYS 191 N -1.49 2.44 0.87 1.61 2.20 -1.26 -3.10 119.74 121.01 3m1a s LYS 191 Ca 0.00 -0.82 -0.12 0.00 -0.36 0.00 0.00 55.97 54.67 3m1a s LYS 191 Cb 0.00 -2.03 0.11 0.00 -1.51 0.00 0.00 37.83 34.41 3m1a s LYS 191 CO 0.00 0.30 1.11 0.20 -0.36 0.00 0.00 175.35 176.60 3m1a s GLY 192 N 0.00 1.60 0.66 5.54 0.00 -1.26 -4.90 107.32 108.96 3m1a s GLY 192 Ca -0.07 -0.31 -0.18 0.00 0.00 0.00 0.00 44.72 44.16 3m1a s GLY 192 CO 0.04 0.19 1.28 0.00 0.00 0.00 0.00 173.10 174.61 3m1a n ALA 193 N -3.69 1.05 -3.70 3.20 0.00 -1.26 -4.87 120.51 111.23 3m1a n ALA 193 Ca 0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 3m1a n ALA 193 Cb 0.57 -2.32 -0.15 0.00 0.00 0.00 0.00 19.45 17.56 3m1a n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m1a s ALA 194 N -1.44 -0.22 -0.10 0.00 0.00 -1.26 -1.65 121.76 117.10 3m1a s ALA 194 Ca 0.82 0.61 0.03 0.00 0.00 0.00 0.00 51.96 53.41 3m1a s ALA 194 Cb -0.37 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3m1a s ALA 194 CO 0.41 -0.14 -0.19 -0.47 0.00 0.00 0.00 175.76 175.37 3m1a s TYR 195 N 1.09 2.66 -0.19 0.00 5.04 -0.29 -4.97 117.35 120.69 3m1a s TYR 195 Ca -0.09 -0.75 0.01 0.00 -2.44 0.00 0.00 57.07 53.80 3m1a s TYR 195 Cb -0.11 -1.74 0.03 0.00 0.35 0.00 0.00 41.96 40.49 3m1a s TYR 195 CO -0.05 -0.25 -0.15 -0.06 -1.34 0.00 0.00 175.55 173.70 3m1a s PHE 196 N 0.17 2.60 0.87 4.97 0.08 -1.26 -1.62 117.98 123.79 3m1a s PHE 196 Ca -0.11 -1.62 -0.12 0.00 0.12 0.00 0.00 56.93 55.21 3m1a s PHE 196 Cb -0.16 -1.77 0.11 0.00 -0.57 0.00 0.00 43.02 40.63 3m1a s PHE 196 CO 0.06 -0.77 1.08 0.43 -0.10 0.00 0.00 175.22 175.92 3m1a n SER 197 N 4.65 0.32 -4.55 1.36 7.64 -0.65 -4.92 113.62 117.46 3m1a n SER 197 Ca -0.17 0.48 -0.48 0.00 1.01 0.00 0.00 58.87 59.71 3m1a n SER 197 Cb 0.48 -1.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 3m1a n SER 197 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3m1a n GLU 198 N -3.53 0.98 -3.17 1.43 2.13 -1.26 -4.92 120.64 112.29 3m1a n GLU 198 Ca 0.12 0.35 -0.39 0.00 0.66 0.00 0.00 57.16 57.89 3m1a n GLU 198 Cb 0.51 -1.73 -0.06 0.00 0.27 0.00 0.00 31.44 30.44 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 -0.78 4.28 -0.23 5.31 2.02 -1.26 -4.80 118.70 123.24 3m1a s GLU 199 Ca 0.69 0.60 -0.05 0.00 0.02 0.00 0.00 54.97 56.23 3m1a s GLU 199 Cb -0.84 -3.52 -0.02 0.00 0.10 0.00 0.00 34.13 29.86 3m1a s GLU 199 CO 0.55 -0.07 -0.01 1.21 0.02 0.00 0.00 175.26 176.96 3m1a s ASN 200 N 0.97 4.58 0.48 -0.19 3.84 -1.26 -5.01 114.94 118.35 3m1a s ASN 200 Ca 0.29 -0.32 0.25 0.00 0.21 0.00 0.00 52.86 53.29 3m1a s ASN 200 Cb -0.16 -1.80 1.30 0.00 -0.55 0.00 0.00 41.25 40.04 3m1a s ASN 200 CO 0.12 -0.02 1.87 1.55 -2.79 0.00 0.00 177.10 177.83 3m1a h PRO 201 N 8.09 0.18 -0.01 0.43 0.13 -2.00 0.25 132.00 139.07 3m1a h PRO 201 Ca -0.40 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3m1a h PRO 201 Cb 1.17 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3m1a h PRO 201 CO 0.60 0.12 0.04 0.00 -0.23 0.00 0.00 178.00 178.52 3m1a h ALA 202 N 1.58 1.18 -0.11 -0.56 0.00 -2.04 -2.25 119.26 117.05 3m1a h ALA 202 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3m1a h ALA 202 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3m1a h ALA 202 CO -0.09 -0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.78 3m1a n TYR 203 N -3.27 0.14 -0.23 0.00 4.01 0.06 -4.76 117.16 113.11 3m1a n TYR 203 Ca -0.03 -0.15 -0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3m1a n TYR 203 Cb 0.11 -0.01 0.22 0.00 -0.31 0.00 0.00 39.34 39.35 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 2.13 1.42 -0.07 -0.72 0.00 -1.24 0.11 119.26 120.90 3m1a h ALA 204 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3m1a h ALA 204 Cb 0.54 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3m1a h ALA 204 CO 0.00 0.52 -0.51 0.93 0.00 0.00 0.00 179.25 180.19 3m1a h GLU 205 N 1.05 0.20 0.10 0.00 5.08 -1.86 0.13 114.58 119.28 3m1a h GLU 205 Ca 0.28 -0.12 -0.22 0.00 -1.00 0.00 0.00 59.36 58.30 3m1a h GLU 205 Cb -0.09 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3m1a h GLU 205 CO -0.06 0.67 -1.10 0.87 -1.00 0.00 0.00 179.01 178.39 3m1a h LYS 206 N 0.16 0.21 0.12 2.33 1.79 -1.80 -3.40 116.57 115.98 3m1a h LYS 206 Ca 0.00 -0.36 -0.29 0.00 -2.18 0.00 0.00 60.65 57.82 3m1a h LYS 206 Cb 0.96 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3m1a h LYS 206 CO 0.08 1.17 -1.40 0.28 -1.08 0.00 0.00 179.45 178.50 3m1a h VAL 207 N -0.45 1.32 -0.87 0.50 2.07 -0.80 -3.36 116.25 114.65 3m1a h VAL 207 Ca -0.24 -2.92 0.14 0.00 0.82 0.00 0.00 66.70 64.50 3m1a h VAL 207 Cb 1.61 2.85 -0.14 0.00 -1.52 0.00 0.00 31.29 34.09 3m1a h VAL 207 CO 0.05 0.85 -0.38 1.23 0.02 0.00 0.00 177.57 179.34 3m1a h GLY 208 N 1.64 -0.03 1.83 2.17 0.00 -0.91 -0.32 103.07 107.46 3m1a h GLY 208 Ca -0.19 0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.66 3m1a h GLY 208 CO 0.18 -0.19 0.08 -2.55 0.00 0.00 0.00 176.54 174.06 3m1a h PRO 209 N -0.05 0.09 -0.07 4.80 0.11 -1.78 -1.80 132.00 133.30 3m1a h PRO 209 Ca 0.30 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 66.19 3m1a h PRO 209 Cb 0.58 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.68 3m1a h PRO 209 CO -0.89 0.06 -0.80 1.15 -0.21 0.00 0.00 178.00 177.30 3m1a h THR 210 N 0.09 1.31 -0.53 -1.15 2.02 -1.27 -1.10 112.91 112.28 3m1a h THR 210 Ca 0.05 -2.06 0.10 0.00 0.77 0.00 0.00 66.41 65.27 3m1a h THR 210 Cb 0.09 2.25 -0.08 0.00 -1.74 0.00 0.00 68.15 68.66 3m1a h THR 210 CO -0.01 0.63 0.09 -0.09 0.37 0.00 0.00 175.52 176.52 3m1a h ARG 211 N 0.33 0.21 -0.56 6.66 2.43 -0.80 -1.95 114.38 120.71 3m1a h ARG 211 Ca -0.08 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 3m1a h ARG 211 Cb 1.46 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 3m1a h ARG 211 CO 0.16 0.14 0.10 1.96 -1.51 0.00 0.00 179.97 180.82 3m1a h GLN 212 N 0.22 0.88 -0.48 0.20 1.08 -1.19 -0.93 115.11 114.89 3m1a h GLN 212 Ca 0.27 -0.20 0.07 0.00 -1.45 0.00 0.00 58.65 57.34 3m1a h GLN 212 Cb 0.39 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.64 3m1a h GLN 212 CO -0.37 0.81 0.16 1.25 -0.95 0.00 0.00 178.83 179.73 3m1a h LEU 213 N 0.84 0.15 0.00 1.46 6.46 -0.48 -2.90 115.31 120.84 3m1a h LEU 213 Ca 0.18 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3m1a h LEU 213 Cb 0.36 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3m1a h LEU 213 CO 0.01 0.12 -0.58 -0.37 -0.62 0.00 0.00 178.44 176.99 3m1a h VAL 214 N 0.33 0.00 -0.50 1.05 -1.51 -1.02 -3.51 116.25 111.09 3m1a h VAL 214 Ca 0.23 -0.85 -0.26 0.00 -1.23 0.00 0.00 66.70 64.60 3m1a h VAL 214 Cb 0.25 1.53 -0.15 0.00 -2.13 0.00 0.00 31.29 30.79 3m1a h VAL 214 CO -0.25 0.00 0.33 0.00 -1.23 0.00 0.00 177.57 176.42 3m1a n GLN 215 N -2.63 1.62 -0.74 5.19 6.02 -0.39 -5.12 117.38 121.33 3m1a n GLN 215 Ca 0.02 -1.50 -0.01 0.00 -0.01 0.00 0.00 57.00 55.50 3m1a n GLN 215 Cb 0.51 -1.59 0.01 0.00 1.02 0.00 0.00 30.24 30.19 3m1a n GLN 215 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3m1a n SER 220 N -0.32 0.08 -4.77 1.08 2.88 -1.26 -4.95 113.62 106.36 3m1a n SER 220 Ca 0.30 -1.07 -0.39 0.00 -1.33 0.00 0.00 58.87 56.38 3m1a n SER 220 Cb 1.09 -0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 64.45 3m1a n SER 220 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3m1a s GLN 221 N -2.52 4.61 0.25 -1.46 1.11 -1.26 -5.00 119.66 115.39 3m1a s GLN 221 Ca 0.04 1.23 0.09 0.00 0.01 0.00 0.00 55.36 56.72 3m1a s GLN 221 Cb -0.00 -3.17 0.28 0.00 -1.01 0.00 0.00 33.01 29.10 3m1a s GLN 221 CO 0.02 0.51 1.57 -1.35 0.01 0.00 0.00 175.29 176.05 3m1a h PRO 222 N 4.05 0.06 -6.71 2.91 0.11 -1.92 -3.39 132.00 127.10 3m1a h PRO 222 Ca -0.47 -0.04 -0.50 0.00 0.11 0.00 0.00 66.00 65.11 3m1a h PRO 222 Cb 1.20 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3m1a h PRO 222 CO 0.66 0.69 0.34 0.20 -0.21 0.00 0.00 178.00 179.69 3m1a s GLY 223 N -4.46 3.10 -0.45 -0.55 0.00 -0.82 -4.85 107.32 99.29 3m1a s GLY 223 Ca -0.02 0.60 -0.15 0.00 0.00 0.00 0.00 44.72 45.15 3m1a s GLY 223 CO 0.78 1.21 0.36 -0.35 0.00 0.00 0.00 173.10 175.09 3m1a s ASP 224 N -1.03 6.12 0.54 1.64 3.68 -1.26 -0.40 116.67 125.95 3m1a s ASP 224 Ca 0.41 -1.17 0.21 0.00 2.13 0.00 0.00 52.55 54.13 3m1a s ASP 224 Cb -0.26 -2.17 1.43 0.00 -1.45 0.00 0.00 42.92 40.48 3m1a s ASP 224 CO 0.31 -0.57 2.17 -0.65 0.13 0.00 0.00 175.17 176.57 3m1a h PRO 225 N 8.70 0.00 -0.33 4.34 0.11 -1.96 0.45 132.00 143.31 3m1a h PRO 225 Ca -0.28 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.69 3m1a h PRO 225 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3m1a h PRO 225 CO 0.82 0.02 -0.34 0.00 -0.21 0.00 0.00 178.00 178.28 3m1a h ALA 226 N 1.98 0.49 -0.23 -0.75 0.00 -1.93 -0.91 119.26 117.91 3m1a h ALA 226 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 3m1a h ALA 226 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3m1a h ALA 226 CO 0.00 0.56 -0.29 0.87 0.00 0.00 0.00 179.25 180.39 3m1a h LYS 227 N 0.60 0.47 -0.44 0.00 1.57 -1.72 -1.88 116.57 115.18 3m1a h LYS 227 Ca 0.05 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3m1a h LYS 227 Cb 0.93 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3m1a h LYS 227 CO 0.08 0.72 0.24 0.00 -0.57 0.00 0.00 179.45 179.92 3m1a h ALA 228 N 1.28 0.56 -0.52 3.86 0.00 -0.76 -1.73 119.26 121.95 3m1a h ALA 228 Ca 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3m1a h ALA 228 Cb 0.72 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3m1a h ALA 228 CO 0.06 0.08 0.32 0.00 0.00 0.00 0.00 179.25 179.70 3m1a h ALA 229 N 1.09 0.66 -0.81 0.00 0.00 -0.96 -2.09 119.26 117.15 3m1a h ALA 229 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3m1a h ALA 229 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3m1a h ALA 229 CO -0.03 0.04 0.53 0.00 0.00 0.00 0.00 179.25 179.80 3m1a h ALA 230 N 1.22 1.48 -0.30 0.00 0.00 -1.11 -2.12 119.26 118.44 3m1a h ALA 230 Ca 0.20 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 3m1a h ALA 230 Cb -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3m1a h ALA 230 CO -0.08 0.45 -0.51 0.00 0.00 0.00 0.00 179.25 179.11 3m1a h ALA 231 N 1.52 0.53 -0.49 0.00 0.00 -0.96 -1.46 119.26 118.40 3m1a h ALA 231 Ca 0.32 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3m1a h ALA 231 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3m1a h ALA 231 CO -0.09 0.68 0.26 0.82 0.00 0.00 0.00 179.25 180.93 3m1a h ILE 232 N 0.66 1.00 -0.57 0.00 2.04 -1.23 0.47 117.51 119.88 3m1a h ILE 232 Ca 0.02 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3m1a h ILE 232 Cb 1.11 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3m1a h ILE 232 CO 0.11 0.10 0.28 0.03 0.00 0.00 0.00 178.15 178.67 3m1a h ARG 233 N 0.52 0.82 -0.47 2.37 3.08 -1.14 -1.49 114.38 118.07 3m1a h ARG 233 Ca 0.20 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3m1a h ARG 233 Cb 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3m1a h ARG 233 CO -0.12 0.66 0.31 1.25 -1.07 0.00 0.00 179.97 181.00 3m1a h LEU 234 N 0.77 0.55 -0.42 3.04 6.46 -0.92 0.04 115.31 124.83 3m1a h LEU 234 Ca 0.20 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 3m1a h LEU 234 Cb 0.11 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 39.87 3m1a h LEU 234 CO -0.03 0.41 0.20 0.00 -0.62 0.00 0.00 178.44 178.41 3m1a h ALA 235 N 1.17 0.52 -0.27 1.25 0.00 -0.53 -1.36 119.26 120.04 3m1a h ALA 235 Ca 0.17 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3m1a h ALA 235 Cb -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3m1a h ALA 235 CO -0.04 -0.16 -0.13 -0.07 0.00 0.00 0.00 179.25 178.85 3m1a h LEU 236 N 0.41 0.44 -0.54 0.00 3.38 -1.06 -2.86 115.31 115.07 3m1a h LEU 236 Ca 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3m1a h LEU 236 Cb 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3m1a h LEU 236 CO -0.13 0.61 0.00 0.44 0.09 0.00 0.00 178.44 179.44 3m1a h ASP 237 N 0.42 0.00 -3.52 -0.43 3.45 -0.50 -3.44 116.42 112.40 3m1a h ASP 237 Ca 0.08 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 57.01 3m1a h ASP 237 Cb 0.49 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.23 3m1a h ASP 237 CO 0.03 0.00 0.30 -0.89 -1.57 0.00 0.00 179.24 177.11 3m1a s THR 238 N -3.30 4.58 0.11 0.35 2.01 -0.56 -4.99 115.64 113.85 3m1a s THR 238 Ca 0.06 1.94 -0.26 0.00 0.31 0.00 0.00 61.69 63.75 3m1a s THR 238 Cb 0.10 -4.26 -0.08 0.00 0.01 0.00 0.00 72.50 68.26 3m1a s THR 238 CO 0.51 0.33 1.65 -0.08 -0.69 0.00 0.00 174.62 176.34 3m1a h GLU 239 N 5.64 -0.37 -5.43 4.92 4.57 -1.86 -3.11 114.58 118.94 3m1a h GLU 239 Ca -0.43 0.03 -0.67 0.00 -1.18 0.00 0.00 59.36 57.10 3m1a h GLU 239 Cb 1.21 0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 29.75 3m1a h GLU 239 CO 0.72 -0.25 1.35 0.15 -1.18 0.00 0.00 179.01 179.80 3m1a s LYS 240 N -6.09 3.75 0.10 1.92 -0.14 -1.26 -5.02 119.74 113.00 3m1a s LYS 240 Ca -0.15 -1.77 -0.31 0.00 -1.36 0.00 0.00 55.97 52.38 3m1a s LYS 240 Cb 0.08 -5.18 -0.08 0.00 -1.68 0.00 0.00 37.83 30.97 3m1a s LYS 240 CO 0.66 -1.98 1.46 0.99 -0.76 0.00 0.00 175.35 175.72 3m1a s THR 241 N 3.40 3.20 0.66 2.17 2.01 -1.18 -4.96 115.64 120.94 3m1a s THR 241 Ca 0.42 0.81 -0.16 0.00 0.31 0.00 0.00 61.69 63.06 3m1a s THR 241 Cb -0.02 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.98 3m1a s THR 241 CO -0.05 0.04 1.18 -2.16 -0.69 0.00 0.00 174.62 172.95 3m1a s PRO 242 N 1.50 2.61 0.24 4.92 0.04 -1.26 -4.90 135.00 138.16 3m1a s PRO 242 Ca 0.67 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.39 3m1a s PRO 242 Cb -0.38 -1.90 0.27 0.00 0.04 0.00 0.00 34.50 32.54 3m1a s PRO 242 CO 0.30 -1.46 1.69 1.25 0.04 0.00 0.00 177.00 178.82 3m1a h LEU 243 N 0.24 0.73 -8.21 -3.56 5.85 -1.93 -3.43 115.31 105.00 3m1a h LEU 243 Ca -0.49 -0.23 -0.52 0.00 0.84 0.00 0.00 57.88 57.48 3m1a h LEU 243 Cb 1.29 -0.20 -0.30 0.00 0.37 0.00 0.00 40.66 41.82 3m1a h LEU 243 CO 0.53 0.89 -0.82 -0.13 -0.34 0.00 0.00 178.44 178.57 3m1a s ARG 244 N -4.71 1.44 -0.31 1.25 0.52 -1.26 -0.74 118.95 115.14 3m1a s ARG 244 Ca -0.09 -0.54 -0.00 0.00 -0.52 0.00 0.00 55.73 54.58 3m1a s ARG 244 Cb 0.14 -1.32 0.10 0.00 0.52 0.00 0.00 34.95 34.39 3m1a s ARG 244 CO 0.82 0.27 0.08 -1.17 0.02 0.00 0.00 175.30 175.32 3m1a s LEU 245 N -0.12 2.58 0.42 2.53 2.96 0.78 -4.93 118.68 122.89 3m1a s LEU 245 Ca 0.01 -1.67 -0.24 0.00 -0.22 0.00 0.00 54.13 52.01 3m1a s LEU 245 Cb -0.09 -0.98 -0.08 0.00 0.50 0.00 0.00 46.19 45.55 3m1a s LEU 245 CO 0.01 -0.40 1.16 0.00 -1.32 0.00 0.00 176.35 175.79 3m1a s ALA 246 N 1.52 3.08 -0.07 5.97 0.00 -1.26 -0.09 121.76 130.91 3m1a s ALA 246 Ca 0.09 0.93 0.01 0.00 0.00 0.00 0.00 51.96 52.99 3m1a s ALA 246 Cb -0.18 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.59 3m1a s ALA 246 CO -0.22 -0.55 -0.09 -0.51 0.00 0.00 0.00 175.76 174.40 3m1a s LEU 247 N -2.71 1.44 0.00 0.00 1.43 -0.55 -4.83 118.68 113.48 3m1a s LEU 247 Ca 0.60 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3m1a s LEU 247 Cb -0.29 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.21 3m1a s LEU 247 CO 0.36 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.53 3m1a n GLY 248 N 4.12 0.49 0.36 -3.19 0.00 -1.26 -1.33 105.19 104.39 3m1a n GLY 248 Ca -0.21 -1.47 0.07 0.00 0.00 0.00 0.00 46.02 44.41 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 1.05 1.00 -0.02 0.00 -1.99 -2.11 103.07 100.99 3m1a h GLY 249 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.02 3m1a h GLY 249 CO 0.00 0.22 0.35 1.29 0.00 0.00 0.00 176.54 178.40 3m1a h ASP 250 N 0.79 0.61 0.01 0.19 3.04 -1.98 -0.63 116.42 118.44 3m1a h ASP 250 Ca 0.34 -0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 54.12 3m1a h ASP 250 Cb 0.32 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 3m1a h ASP 250 CO -0.12 0.44 -0.00 0.00 -2.04 0.00 0.00 179.24 177.51 3m1a h ALA 251 N 1.20 -0.01 -0.69 4.15 0.00 -1.63 -1.47 119.26 120.81 3m1a h ALA 251 Ca 0.20 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3m1a h ALA 251 Cb -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3m1a h ALA 251 CO -0.05 -0.48 0.33 0.28 0.00 0.00 0.00 179.25 179.34 3m1a h VAL 252 N -0.06 0.84 -0.51 0.00 2.07 -1.22 -1.42 116.25 115.95 3m1a h VAL 252 Ca -0.00 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 3m1a h VAL 252 Cb 0.06 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3m1a h VAL 252 CO 0.00 0.10 0.02 0.44 0.02 0.00 0.00 177.57 178.16 3m1a h ASP 253 N 0.57 0.87 -0.53 0.57 3.32 -0.92 -1.47 116.42 118.82 3m1a h ASP 253 Ca 0.34 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3m1a h ASP 253 Cb 0.36 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3m1a h ASP 253 CO -0.27 0.95 0.25 -0.26 -1.72 0.00 0.00 179.24 178.18 3m1a h PHE 254 N 0.76 0.76 -0.32 4.55 0.04 -0.93 -1.87 116.94 119.94 3m1a h PHE 254 Ca 0.15 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.78 3m1a h PHE 254 Cb 0.49 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3m1a h PHE 254 CO 0.04 0.60 -0.17 -0.07 -0.60 0.00 0.00 178.31 178.10 3m1a h LEU 255 N 0.71 0.71 -0.81 1.54 3.38 -1.13 -1.45 115.31 118.26 3m1a h LEU 255 Ca 0.18 -0.42 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 3m1a h LEU 255 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3m1a h LEU 255 CO -0.02 0.97 -0.47 0.71 0.09 0.00 0.00 178.44 179.72 3m1a h THR 256 N 0.45 1.33 -0.36 0.22 1.35 -1.29 -0.05 112.91 114.55 3m1a h THR 256 Ca 0.07 -1.66 0.06 0.00 -0.55 0.00 0.00 66.41 64.33 3m1a h THR 256 Cb 0.71 1.75 -0.05 0.00 -1.73 0.00 0.00 68.15 68.83 3m1a h THR 256 CO 0.05 0.50 0.05 1.23 -0.25 0.00 0.00 175.52 177.10 3m1a h GLY 257 N 1.26 0.40 0.88 5.82 0.00 -1.11 -0.07 103.07 110.25 3m1a h GLY 257 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 3m1a h GLY 257 CO 0.08 -0.05 0.02 0.84 0.00 0.00 0.00 176.54 177.43 3m1a h HIS 258 N 0.16 0.56 -0.94 5.60 6.17 -1.02 -2.36 115.15 123.32 3m1a h HIS 258 Ca 0.17 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 61.16 3m1a h HIS 258 Cb 0.22 -0.15 -0.05 0.00 2.52 0.00 0.00 27.41 29.95 3m1a h HIS 258 CO -0.21 0.64 0.59 -0.07 0.71 0.00 0.00 177.93 179.58 3m1a h LEU 259 N 0.32 1.10 -0.23 0.26 3.38 -0.93 -1.14 115.31 118.07 3m1a h LEU 259 Ca 0.09 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3m1a h LEU 259 Cb 0.40 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3m1a h LEU 259 CO 0.01 0.83 0.14 0.44 0.09 0.00 0.00 178.44 179.95 3m1a h ASP 260 N 1.28 0.23 -0.33 -0.43 3.32 -0.86 -1.16 116.42 118.48 3m1a h ASP 260 Ca 0.34 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 3m1a h ASP 260 Cb -0.10 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3m1a h ASP 260 CO -0.07 0.17 -0.18 0.77 -1.72 0.00 0.00 179.24 178.21 3m1a h SER 261 N 0.29 0.73 -0.65 6.45 4.64 -1.15 -1.85 113.55 122.02 3m1a h SER 261 Ca 0.09 -0.42 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3m1a h SER 261 Cb -0.01 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 3m1a h SER 261 CO -0.03 0.99 0.35 0.58 -0.87 0.00 0.00 176.83 177.85 3m1a h VAL 262 N 0.48 1.21 -0.44 0.95 2.07 -1.16 -1.88 116.25 117.46 3m1a h VAL 262 Ca 0.07 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3m1a h VAL 262 Cb 0.72 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3m1a h VAL 262 CO 0.05 0.23 0.29 -0.09 0.02 0.00 0.00 177.57 178.07 3m1a h ARG 263 N 0.89 0.59 -0.56 1.57 9.65 -1.12 -1.58 114.38 123.81 3m1a h ARG 263 Ca 0.23 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.02 3m1a h ARG 263 Cb 0.05 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 3m1a h ARG 263 CO -0.04 0.39 0.15 0.00 2.80 0.00 0.00 179.97 183.27 3m1a h ALA 264 N 1.16 1.21 0.00 2.80 0.00 -1.12 -2.15 119.26 121.17 3m1a h ALA 264 Ca 0.16 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3m1a h ALA 264 Cb -0.06 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.52 3m1a h ALA 264 CO -0.03 0.55 -0.99 1.49 0.00 0.00 0.00 179.25 180.26 3m1a h GLU 265 N 0.82 0.66 -0.39 0.00 4.81 -1.19 -1.65 114.58 117.64 3m1a h GLU 265 Ca 0.18 -0.72 0.06 0.00 -0.13 0.00 0.00 59.36 58.75 3m1a h GLU 265 Cb 0.28 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 3m1a h GLU 265 CO -0.00 1.30 0.10 1.25 -0.73 0.00 0.00 179.01 180.93 3m1a h LEU 266 N 0.32 0.06 -0.06 1.64 5.85 -1.23 -2.27 115.31 119.62 3m1a h LEU 266 Ca -0.13 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3m1a h LEU 266 Cb 1.66 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 3m1a h LEU 266 CO 0.20 0.07 0.04 0.74 -0.34 0.00 0.00 178.44 179.14 3m1a h THR 267 N 0.24 1.05 -0.84 1.05 2.02 -1.33 -0.53 112.91 114.57 3m1a h THR 267 Ca 0.19 -0.15 0.12 0.00 0.77 0.00 0.00 66.41 67.34 3m1a h THR 267 Cb 0.21 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 3m1a h THR 267 CO -0.23 0.05 0.54 -0.08 0.37 0.00 0.00 175.52 176.17 3m1a h GLU 268 N 0.04 0.68 -0.23 6.66 4.57 -1.09 -2.96 114.58 122.25 3m1a h GLU 268 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3m1a h GLU 268 Cb 0.04 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3m1a h GLU 268 CO -0.00 0.45 0.00 0.91 -1.18 0.00 0.00 179.01 179.19 3m1a n TRP 269 N -4.53 0.29 -0.23 0.92 7.02 -0.87 -4.70 117.44 115.35 3m1a n TRP 269 Ca 0.15 -0.28 0.02 0.00 -1.02 0.00 0.00 57.50 56.38 3m1a n TRP 269 Cb 0.40 -0.01 0.14 0.00 -2.42 0.00 0.00 31.31 29.42 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 2.36 0.40 -0.10 -0.99 4.81 -0.92 0.05 114.58 120.20 3m1a h GLU 270 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3m1a h GLU 270 Cb 0.66 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3m1a h GLU 270 CO 0.00 0.27 0.05 0.87 -0.73 0.00 0.00 179.01 179.47 3m1a h LYS 271 N 0.42 0.14 -0.08 1.92 1.57 -1.84 0.25 116.57 118.95 3m1a h LYS 271 Ca 0.36 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.16 3m1a h LYS 271 Cb 0.50 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3m1a h LYS 271 CO -0.36 0.19 -0.17 0.28 -0.57 0.00 0.00 179.45 178.82 3m1a h VAL 272 N 0.05 0.57 -0.28 0.50 2.07 -1.81 0.31 116.25 117.65 3m1a h VAL 272 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 3m1a h VAL 272 Cb 0.10 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 3m1a h VAL 272 CO -0.00 0.00 -0.19 0.28 0.02 0.00 0.00 177.57 177.67 3m1a h SER 273 N -0.24 -0.63 1.22 0.57 0.02 -0.68 -1.45 113.55 112.36 3m1a h SER 273 Ca 0.08 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3m1a h SER 273 Cb 0.35 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3m1a h SER 273 CO -0.22 -0.23 0.00 0.03 -1.14 0.00 0.00 176.83 175.27 3m1a h ARG 274 N -0.17 0.00 0.00 3.45 3.08 -0.34 -2.94 114.38 117.46 3m1a h ARG 274 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3m1a h ARG 274 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3m1a h ARG 274 CO -0.38 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.93 3m1a n GLY 275 N 0.43 -1.16 0.41 0.04 0.00 0.08 -3.03 105.19 101.96 3m1a n GLY 275 Ca 0.02 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.51 0.00 -1.95 2.61 -2.24 -1.11 -4.91 114.28 105.17 3m1a n THR 276 Ca 0.05 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.23 3m1a n THR 276 Cb 0.22 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 68.90 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 -2.11 5.71 0.00 3.42 1.01 -1.17 -5.17 116.67 118.36 3m1a s ASP 277 Ca 0.36 2.64 0.23 0.00 0.71 0.00 0.00 52.55 56.48 3m1a s ASP 277 Cb 0.21 -2.63 1.38 0.00 1.01 0.00 0.00 42.92 42.88 3m1a s ASP 277 CO 0.37 -1.26 1.75 2.22 0.21 0.00 0.00 175.17 178.46