#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1a h GLU 3 N 0.00 0.34 -0.02 4.33 9.09 -2.06 -2.48 114.58 123.79 3m1a h GLU 3 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 3m1a h GLU 3 Cb 0.00 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.02 3m1a h GLU 3 CO 0.00 0.23 -0.40 -1.13 0.05 0.00 0.00 179.01 177.76 3m1a n SER 4 N -4.47 2.00 -4.78 3.06 3.41 -1.26 -4.97 113.62 106.60 3m1a n SER 4 Ca 0.06 -1.49 -0.36 0.00 -0.26 0.00 0.00 58.87 56.82 3m1a n SER 4 Cb 0.27 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 3m1a n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m1a s ALA 5 N -2.43 3.01 0.18 7.33 0.00 -0.94 -4.99 121.76 123.92 3m1a s ALA 5 Ca 0.20 0.76 0.11 0.00 0.00 0.00 0.00 51.96 53.03 3m1a s ALA 5 Cb 0.18 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3m1a s ALA 5 CO 0.54 -0.37 -0.20 0.15 0.00 0.00 0.00 175.76 175.88 3m1a s LYS 6 N -2.69 1.67 -0.35 0.00 -0.14 -1.26 -4.92 119.74 112.05 3m1a s LYS 6 Ca 0.61 -1.41 -0.21 0.00 -1.36 0.00 0.00 55.97 53.60 3m1a s LYS 6 Cb -0.23 -1.95 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 3m1a s LYS 6 CO 0.28 0.42 0.66 0.08 -0.76 0.00 0.00 175.35 176.03 3m1a s VAL 7 N -1.57 4.87 -0.19 3.17 1.01 -1.26 -1.32 120.40 125.11 3m1a s VAL 7 Ca 0.21 0.64 -0.08 0.00 0.00 0.00 0.00 61.98 62.75 3m1a s VAL 7 Cb -0.09 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3m1a s VAL 7 CO 0.11 -0.32 0.09 0.26 0.00 0.00 0.00 175.10 175.24 3m1a s TRP 8 N 2.76 3.31 -0.28 5.22 0.52 0.76 -0.52 118.94 130.71 3m1a s TRP 8 Ca 0.25 0.17 -0.04 0.00 0.02 0.00 0.00 56.10 56.50 3m1a s TRP 8 Cb -0.14 -2.11 0.02 0.00 -1.15 0.00 0.00 33.47 30.08 3m1a s TRP 8 CO 0.15 0.20 0.02 -1.17 0.02 0.00 0.00 176.95 176.17 3m1a s LEU 9 N 0.37 3.62 -0.20 2.99 2.96 -0.39 0.19 118.68 128.23 3m1a s LEU 9 Ca 0.05 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.13 3m1a s LEU 9 Cb -0.12 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.80 3m1a s LEU 9 CO -0.01 -0.18 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.02 3m1a s VAL 10 N 1.41 2.52 0.18 1.68 1.01 0.42 -0.85 120.40 126.77 3m1a s VAL 10 Ca 0.01 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 3m1a s VAL 10 Cb -0.17 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.02 3m1a s VAL 10 CO -0.00 0.47 0.68 0.42 0.00 0.00 0.00 175.10 176.67 3m1a s THR 11 N 1.35 4.62 -1.12 3.92 -4.23 -0.99 -1.02 115.64 118.17 3m1a s THR 11 Ca 0.05 1.24 -0.03 0.00 -1.18 0.00 0.00 61.69 61.76 3m1a s THR 11 Cb -0.14 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.84 3m1a s THR 11 CO -0.09 0.29 0.96 0.61 -0.54 0.00 0.00 174.62 175.84 3m1a n GLY 12 N 0.94 -0.32 0.39 3.99 0.00 -0.02 -2.85 105.19 107.33 3m1a n GLY 12 Ca -0.04 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.18 2.73 -0.15 4.61 0.00 -0.24 -4.17 120.51 119.09 3m1a n ALA 13 Ca -0.14 -0.42 -0.09 0.00 0.00 0.00 0.00 53.44 52.78 3m1a n ALA 13 Cb 0.61 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 1.93 0.69 -5.46 0.00 0.87 -1.87 -3.11 113.55 106.59 3m1a h SER 14 Ca 0.00 -0.25 -0.20 0.00 -1.23 0.00 0.00 61.79 60.11 3m1a h SER 14 Cb 0.49 -0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.16 3m1a h SER 14 CO 0.00 0.76 -0.29 -0.94 -0.53 0.00 0.00 176.83 175.83 3m1a s SER 15 N -6.10 0.41 0.89 6.23 1.04 -1.26 -4.75 113.70 110.15 3m1a s SER 15 Ca -0.13 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.02 3m1a s SER 15 Cb 0.11 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3m1a s SER 15 CO 0.78 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3m1a n GLY 16 N -0.43 0.99 0.33 7.32 0.00 0.47 -2.58 105.19 111.29 3m1a n GLY 16 Ca 0.01 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.44 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 0.98 -0.81 1.61 3.57 -1.89 -1.76 116.94 118.64 3m1a h PHE 17 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 3m1a h PHE 17 Cb 0.00 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.39 3m1a h PHE 17 CO 0.00 0.37 0.53 0.78 -2.23 0.00 0.00 178.31 177.76 3m1a h GLY 18 N 0.86 1.13 1.01 2.40 0.00 -1.75 -1.21 103.07 105.52 3m1a h GLY 18 Ca 0.45 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 3m1a h GLY 18 CO -0.27 0.32 -0.14 -0.09 0.00 0.00 0.00 176.54 176.35 3m1a h ARG 19 N 0.96 0.81 -0.70 4.80 9.65 -1.06 -2.01 114.38 126.83 3m1a h ARG 19 Ca 0.33 -0.33 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 3m1a h ARG 19 Cb 0.09 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3m1a h ARG 19 CO -0.10 0.96 0.20 0.00 2.80 0.00 0.00 179.97 183.82 3m1a h ALA 20 N 0.83 0.93 -0.16 2.80 0.00 -1.03 -0.79 119.26 121.84 3m1a h ALA 20 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3m1a h ALA 20 Cb 0.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3m1a h ALA 20 CO 0.05 0.63 0.10 0.82 0.00 0.00 0.00 179.25 180.84 3m1a h ILE 21 N 1.05 1.03 -0.29 0.00 2.04 -1.17 0.28 117.51 120.45 3m1a h ILE 21 Ca 0.22 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 66.03 3m1a h ILE 21 Cb 0.33 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3m1a h ILE 21 CO -0.00 0.04 0.16 0.00 0.00 0.00 0.00 178.15 178.34 3m1a h ALA 22 N 1.07 0.36 -0.13 1.87 0.00 -1.18 -1.65 119.26 119.60 3m1a h ALA 22 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3m1a h ALA 22 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3m1a h ALA 22 CO -0.02 -0.22 -0.48 0.93 0.00 0.00 0.00 179.25 179.46 3m1a h GLU 23 N 0.33 0.34 -0.73 0.00 5.08 -0.96 -1.87 114.58 116.76 3m1a h GLU 23 Ca 0.12 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3m1a h GLU 23 Cb 0.02 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3m1a h GLU 23 CO -0.07 0.75 0.27 0.00 -1.00 0.00 0.00 179.01 178.96 3m1a h ALA 24 N 1.22 0.95 0.01 3.43 0.00 -0.68 0.40 119.26 124.59 3m1a h ALA 24 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3m1a h ALA 24 Cb 0.94 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3m1a h ALA 24 CO 0.08 0.59 -0.00 0.00 0.00 0.00 0.00 179.25 179.92 3m1a h ALA 25 N 1.13 -0.01 -0.44 0.00 0.00 -0.91 -1.17 119.26 117.86 3m1a h ALA 25 Ca 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3m1a h ALA 25 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3m1a h ALA 25 CO -0.02 -0.47 0.07 0.28 0.00 0.00 0.00 179.25 179.12 3m1a h VAL 26 N -0.09 1.21 0.00 0.00 2.07 -1.11 -0.60 116.25 117.72 3m1a h VAL 26 Ca -0.00 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3m1a h VAL 26 Cb 0.09 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3m1a h VAL 26 CO 0.00 0.28 -0.34 0.00 0.02 0.00 0.00 177.57 177.53 3m1a h ALA 27 N 1.44 1.22 -0.00 1.67 0.00 -0.75 -2.15 119.26 120.68 3m1a h ALA 27 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3m1a h ALA 27 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3m1a h ALA 27 CO 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 179.25 179.65 3m1a n ALA 28 N -2.38 2.63 -0.14 0.00 0.00 -0.46 -4.90 120.51 115.27 3m1a n ALA 28 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3m1a n ALA 28 Cb 0.42 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.19 0.62 3.79 0.00 0.00 -0.81 -5.03 105.19 104.96 3m1a n GLY 29 Ca 0.18 0.00 -0.30 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 -2.85 4.55 -0.13 1.61 -0.00 -0.30 -4.68 116.67 114.87 3m1a s ASP 30 Ca 0.00 1.45 -0.12 0.00 -0.00 0.00 0.00 52.55 53.88 3m1a s ASP 30 Cb 0.00 -2.20 -0.05 0.00 -0.00 0.00 0.00 42.92 40.67 3m1a s ASP 30 CO 0.00 -1.95 0.25 -0.89 -0.00 0.00 0.00 175.17 172.58 3m1a s THR 31 N -3.08 5.33 -0.07 -1.27 2.01 -0.43 -4.29 115.64 113.83 3m1a s THR 31 Ca 0.61 0.46 0.03 0.00 0.31 0.00 0.00 61.69 63.09 3m1a s THR 31 Cb -0.15 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.81 3m1a s THR 31 CO 0.55 0.49 -0.16 -0.69 -0.69 0.00 0.00 174.62 174.12 3m1a s VAL 32 N -0.21 1.39 -0.31 3.82 1.01 0.35 -0.17 120.40 126.29 3m1a s VAL 32 Ca 0.16 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 3m1a s VAL 32 Cb -0.13 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.02 3m1a s VAL 32 CO 0.05 0.41 0.09 -0.63 0.00 0.00 0.00 175.10 175.02 3m1a s ILE 33 N 0.51 3.99 -0.12 2.22 1.09 0.13 -1.77 121.20 127.26 3m1a s ILE 33 Ca -0.14 -0.77 -0.09 0.00 -1.10 0.00 0.00 60.65 58.55 3m1a s ILE 33 Cb -0.16 -3.10 -0.04 0.00 -1.06 0.00 0.00 42.46 38.10 3m1a s ILE 33 CO 0.05 0.02 0.19 -0.83 -0.10 0.00 0.00 174.94 174.26 3m1a s GLY 34 N 1.49 2.19 0.08 6.18 0.00 -0.15 -0.44 107.32 116.68 3m1a s GLY 34 Ca 0.02 -0.57 0.07 0.00 0.00 0.00 0.00 44.72 44.24 3m1a s GLY 34 CO 0.03 -0.19 -0.13 -0.51 0.00 0.00 0.00 173.10 172.30 3m1a s THR 35 N -0.76 3.16 0.23 0.90 -4.23 -0.19 -0.46 115.64 114.29 3m1a s THR 35 Ca 0.15 -1.26 -0.13 0.00 -1.18 0.00 0.00 61.69 59.27 3m1a s THR 35 Cb -0.13 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3m1a s THR 35 CO 0.05 0.18 0.48 0.00 -0.54 0.00 0.00 174.62 174.78 3m1a s ALA 36 N -1.12 -0.36 0.14 3.99 0.00 -0.97 -0.84 121.76 122.60 3m1a s ALA 36 Ca 0.19 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 3m1a s ALA 36 Cb -0.11 1.01 0.01 0.00 0.00 0.00 0.00 23.12 24.03 3m1a s ALA 36 CO 0.11 -0.84 1.75 0.00 0.00 0.00 0.00 175.76 176.78 3m1a h ARG 37 N 2.26 0.23 -5.08 0.00 2.47 -1.88 0.20 114.38 112.58 3m1a h ARG 37 Ca -0.27 -0.01 -0.66 0.00 -1.26 0.00 0.00 59.98 57.78 3m1a h ARG 37 Cb 1.25 -0.05 -0.31 0.00 -1.65 0.00 0.00 29.97 29.20 3m1a h ARG 37 CO 0.36 0.15 -0.80 1.03 0.56 0.00 0.00 179.97 181.28 3m1a s ARG 38 N -6.17 3.18 0.33 0.04 0.52 -1.26 -4.38 118.95 111.22 3m1a s ARG 38 Ca -0.13 -0.74 0.12 0.00 -0.52 0.00 0.00 55.73 54.46 3m1a s ARG 38 Cb 0.11 -2.72 1.03 0.00 0.52 0.00 0.00 34.95 33.89 3m1a s ARG 38 CO 0.70 -0.13 1.64 1.79 0.02 0.00 0.00 175.30 179.32 3m1a h THR 39 N 5.78 0.24 -0.51 0.02 1.35 -1.84 0.45 112.91 118.40 3m1a h THR 39 Ca -0.40 -0.08 0.15 0.00 -0.55 0.00 0.00 66.41 65.52 3m1a h THR 39 Cb 1.16 -0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.55 3m1a h THR 39 CO 0.61 0.04 0.40 -0.33 -0.25 0.00 0.00 175.52 175.99 3m1a h GLU 40 N 0.24 0.00 0.00 4.72 3.07 -1.97 0.22 114.58 120.86 3m1a h GLU 40 Ca 0.71 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.55 3m1a h GLU 40 Cb 1.62 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.53 3m1a h GLU 40 CO -0.66 0.00 -0.06 0.00 -1.40 0.00 0.00 179.01 176.89 3m1a h ALA 41 N 1.67 1.26 -0.56 3.43 0.00 -1.33 -2.70 119.26 121.04 3m1a h ALA 41 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3m1a h ALA 41 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3m1a h ALA 41 CO -0.00 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.61 3m1a n LEU 42 N -3.55 5.15 -0.22 0.00 4.77 0.07 -4.68 117.00 118.53 3m1a n LEU 42 Ca -0.02 -2.61 -0.04 0.00 -0.03 0.00 0.00 56.01 53.31 3m1a n LEU 42 Cb 0.18 -0.64 0.06 0.00 -2.33 0.00 0.00 43.42 40.69 3m1a n LEU 42 CO 0.28 0.66 1.12 0.44 -1.33 0.00 0.00 177.39 178.55 3m1a h ASP 43 N 3.79 0.65 -0.01 -1.43 3.32 -1.59 -2.85 116.42 118.31 3m1a h ASP 43 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3m1a h ASP 43 Cb 1.73 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.13 3m1a h ASP 43 CO 0.39 0.46 -0.18 -2.24 -1.72 0.00 0.00 179.24 175.94 3m1a h ASP 44 N 0.78 0.33 -0.15 6.45 -0.00 -1.86 -0.52 116.42 121.45 3m1a h ASP 44 Ca 0.26 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.03 57.16 3m1a h ASP 44 Cb 0.01 -0.09 -0.00 0.00 -0.00 0.00 0.00 39.33 39.25 3m1a h ASP 44 CO -0.10 0.53 -0.06 0.25 -0.00 0.00 0.00 179.24 179.86 3m1a h LEU 45 N 0.32 0.32 -1.02 0.15 5.85 -1.87 -2.29 115.31 116.76 3m1a h LEU 45 Ca 0.06 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 3m1a h LEU 45 Cb 0.50 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3m1a h LEU 45 CO 0.03 0.64 -0.15 0.58 -0.34 0.00 0.00 178.44 179.21 3m1a h VAL 46 N -0.01 1.24 -0.46 1.05 2.07 -1.31 -1.44 116.25 117.39 3m1a h VAL 46 Ca 0.04 -1.09 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 3m1a h VAL 46 Cb 0.52 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3m1a h VAL 46 CO 0.02 0.36 -0.11 0.00 0.02 0.00 0.00 177.57 177.86 3m1a h ALA 47 N 1.36 0.64 -0.04 1.67 0.00 -1.08 -2.24 119.26 119.56 3m1a h ALA 47 Ca 0.09 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3m1a h ALA 47 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3m1a h ALA 47 CO 0.03 0.54 -0.58 0.00 0.00 0.00 0.00 179.25 179.24 3m1a h ALA 48 N 0.88 0.95 -2.08 0.00 0.00 -1.15 -3.36 119.26 114.50 3m1a h ALA 48 Ca 0.12 -0.53 -0.56 0.00 0.00 0.00 0.00 54.91 53.94 3m1a h ALA 48 Cb 0.66 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.95 3m1a h ALA 48 CO 0.05 0.72 -0.95 0.66 0.00 0.00 0.00 179.25 179.72 3m1a n TYR 49 N -3.88 1.18 -0.04 0.00 4.01 -0.56 -4.99 117.16 112.88 3m1a n TYR 49 Ca -0.02 -3.80 0.18 0.00 -0.16 0.00 0.00 57.90 54.10 3m1a n TYR 49 Cb 0.59 -0.43 0.63 0.00 -0.31 0.00 0.00 39.34 39.82 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 3.75 0.12 0.00 -0.72 0.11 -1.56 -1.22 132.00 132.48 3m1a h PRO 50 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3m1a h PRO 50 Cb 0.80 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3m1a h PRO 50 CO 0.60 0.08 -0.92 -0.25 -0.21 0.00 0.00 178.00 177.30 3m1a n ASP 51 N -4.41 0.63 0.00 -2.05 10.43 -1.26 -4.50 116.55 115.39 3m1a n ASP 51 Ca 0.11 -0.15 0.00 0.00 2.57 0.00 0.00 54.79 57.32 3m1a n ASP 51 Cb 0.57 0.63 0.00 0.00 1.84 0.00 0.00 41.12 44.16 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 -1.97 -0.60 -4.82 -1.24 1.74 -0.80 -5.02 116.66 103.95 3m1a n ARG 52 Ca 0.02 -0.30 -0.26 0.00 -0.77 0.00 0.00 57.85 56.54 3m1a n ARG 52 Cb 0.43 -0.80 -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 -0.00 1.51 0.02 7.54 0.00 -0.53 -0.49 121.76 129.80 3m1a s ALA 53 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3m1a s ALA 53 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3m1a s ALA 53 CO 0.00 0.27 -0.07 -2.00 0.00 0.00 0.00 175.76 173.96 3m1a s GLU 54 N 0.04 0.51 -0.13 0.00 2.12 -0.73 -4.76 118.70 115.76 3m1a s GLU 54 Ca -0.04 -0.51 -0.05 0.00 0.36 0.00 0.00 54.97 54.74 3m1a s GLU 54 Cb -0.11 -0.39 -0.04 0.00 0.26 0.00 0.00 34.13 33.85 3m1a s GLU 54 CO 0.02 0.09 0.03 0.00 -0.54 0.00 0.00 175.26 174.86 3m1a s ALA 55 N -0.80 3.34 -0.03 6.30 0.00 -1.26 -0.98 121.76 128.34 3m1a s ALA 55 Ca -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.18 3m1a s ALA 55 Cb -0.06 -1.69 -0.00 0.00 0.00 0.00 0.00 23.12 21.37 3m1a s ALA 55 CO 0.00 0.39 -0.11 0.42 0.00 0.00 0.00 175.76 176.46 3m1a s ILE 56 N -0.27 0.94 -0.09 0.00 1.01 0.39 -4.96 121.20 118.22 3m1a s ILE 56 Ca 0.07 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 3m1a s ILE 56 Cb -0.12 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3m1a s ILE 56 CO 0.02 0.28 1.35 -0.55 0.00 0.00 0.00 174.94 176.05 3m1a s SER 57 N 0.07 6.89 -0.14 3.58 0.15 -1.26 -2.29 113.70 120.70 3m1a s SER 57 Ca -0.02 1.90 -0.07 0.00 0.70 0.00 0.00 55.95 58.47 3m1a s SER 57 Cb -0.08 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.74 3m1a s SER 57 CO 0.01 -0.75 0.33 -0.22 1.20 0.00 0.00 173.24 173.80 3m1a s LEU 58 N 3.13 0.04 -0.32 3.45 2.96 0.70 -4.90 118.68 123.74 3m1a s LEU 58 Ca 0.60 0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 55.14 3m1a s LEU 58 Cb -0.26 1.04 0.00 0.00 0.50 0.00 0.00 46.19 47.46 3m1a s LEU 58 CO 0.21 -0.19 0.16 -0.62 -1.32 0.00 0.00 176.35 174.59 3m1a s ASP 59 N 1.56 5.58 0.35 3.68 -1.08 -1.26 -3.62 116.67 121.87 3m1a s ASP 59 Ca -0.08 -0.63 0.27 0.00 -0.52 0.00 0.00 52.55 51.59 3m1a s ASP 59 Cb -0.10 -2.00 1.15 0.00 -1.46 0.00 0.00 42.92 40.50 3m1a s ASP 59 CO -0.11 -0.24 1.79 0.58 0.52 0.00 0.00 175.17 177.72 3m1a h VAL 60 N 5.71 0.00 0.00 1.11 2.07 -1.95 0.51 116.25 123.71 3m1a h VAL 60 Ca -0.31 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3m1a h VAL 60 Cb 1.14 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3m1a h VAL 60 CO 0.63 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.57 3m1a n THR 61 N -2.47 0.11 -3.30 2.57 -2.24 -1.26 -4.12 114.28 103.57 3m1a n THR 61 Ca 0.01 0.03 -0.46 0.00 -2.27 0.00 0.00 64.05 61.36 3m1a n THR 61 Cb 0.22 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.99 6.26 0.23 3.42 -1.08 0.17 -4.94 116.67 117.74 3m1a s ASP 62 Ca 0.14 -1.89 -0.07 0.00 -0.52 0.00 0.00 52.55 50.21 3m1a s ASP 62 Cb 0.18 -2.21 0.20 0.00 -1.46 0.00 0.00 42.92 39.62 3m1a s ASP 62 CO 0.50 -0.83 1.83 1.23 0.52 0.00 0.00 175.17 178.41 3m1a h GLY 63 N 8.80 1.33 0.52 2.66 0.00 -1.83 -1.75 103.07 112.80 3m1a h GLY 63 Ca -0.25 -0.65 0.06 0.00 0.00 0.00 0.00 47.33 46.49 3m1a h GLY 63 CO 1.01 0.62 0.04 0.83 0.00 0.00 0.00 176.54 179.03 3m1a h GLU 64 N 1.23 0.14 -0.58 4.80 4.39 -1.95 -2.13 114.58 120.48 3m1a h GLU 64 Ca 0.30 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.92 3m1a h GLU 64 Cb 0.10 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3m1a h GLU 64 CO -0.04 0.09 0.08 -0.09 -1.16 0.00 0.00 179.01 177.89 3m1a h ARG 65 N 0.14 0.95 -0.34 2.33 9.65 -1.77 -2.27 114.38 123.08 3m1a h ARG 65 Ca 0.17 -0.24 0.06 0.00 -1.10 0.00 0.00 59.98 58.87 3m1a h ARG 65 Cb 0.21 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.61 3m1a h ARG 65 CO -0.25 0.89 -0.01 0.82 2.80 0.00 0.00 179.97 184.22 3m1a h ILE 66 N 0.89 0.74 -0.42 1.20 2.04 -1.04 0.61 117.51 121.54 3m1a h ILE 66 Ca 0.18 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.03 3m1a h ILE 66 Cb 0.41 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3m1a h ILE 66 CO 0.01 0.02 0.25 0.44 0.00 0.00 0.00 178.15 178.86 3m1a h ASP 67 N 0.09 0.40 -0.19 1.72 3.32 -1.09 -0.24 116.42 120.43 3m1a h ASP 67 Ca 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3m1a h ASP 67 Cb 0.23 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3m1a h ASP 67 CO -0.28 0.29 0.09 0.58 -1.72 0.00 0.00 179.24 178.20 3m1a h VAL 68 N 0.50 1.13 -0.07 -1.35 2.07 -1.00 -2.11 116.25 115.42 3m1a h VAL 68 Ca 0.17 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3m1a h VAL 68 Cb 0.01 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3m1a h VAL 68 CO -0.07 0.13 0.02 0.58 0.02 0.00 0.00 177.57 178.24 3m1a h VAL 69 N 0.18 1.16 -0.40 2.57 2.07 -0.66 -0.81 116.25 120.36 3m1a h VAL 69 Ca 0.06 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3m1a h VAL 69 Cb 0.12 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3m1a h VAL 69 CO -0.01 0.14 0.18 0.00 0.02 0.00 0.00 177.57 177.90 3m1a h ALA 70 N 0.84 0.49 -0.86 1.67 0.00 -1.02 -0.20 119.26 120.18 3m1a h ALA 70 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3m1a h ALA 70 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3m1a h ALA 70 CO -0.00 -0.19 0.52 0.00 0.00 0.00 0.00 179.25 179.58 3m1a h ALA 71 N 1.23 1.10 -0.49 0.00 0.00 -1.29 -1.44 119.26 118.36 3m1a h ALA 71 Ca 0.18 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3m1a h ALA 71 Cb 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3m1a h ALA 71 CO -0.14 0.56 -0.17 0.22 0.00 0.00 0.00 179.25 179.72 3m1a h ASP 72 N 1.18 0.99 -0.31 0.00 3.58 -0.49 -0.96 116.42 120.40 3m1a h ASP 72 Ca 0.31 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.34 3m1a h ASP 72 Cb -0.04 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 3m1a h ASP 72 CO -0.06 1.13 -0.07 0.58 -2.88 0.00 0.00 179.24 177.94 3m1a h VAL 73 N 0.85 1.28 -0.81 2.25 2.07 -0.85 -1.77 116.25 119.28 3m1a h VAL 73 Ca 0.12 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3m1a h VAL 73 Cb 0.73 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3m1a h VAL 73 CO 0.06 0.36 0.43 -0.07 0.02 0.00 0.00 177.57 178.37 3m1a h LEU 74 N 0.37 1.01 -0.59 2.57 3.38 -1.16 0.31 115.31 121.21 3m1a h LEU 74 Ca 0.08 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3m1a h LEU 74 Cb 0.56 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3m1a h LEU 74 CO 0.03 0.82 -0.01 0.00 0.09 0.00 0.00 178.44 179.37 3m1a h ALA 75 N 1.34 0.79 0.00 1.53 0.00 -1.03 0.15 119.26 122.05 3m1a h ALA 75 Ca 0.28 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 3m1a h ALA 75 Cb 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 3m1a h ALA 75 CO -0.04 0.64 -1.96 0.54 0.00 0.00 0.00 179.25 178.43 3m1a n ARG 76 N -4.20 0.65 -0.01 0.00 1.74 -0.68 -4.32 116.66 109.85 3m1a n ARG 76 Ca 0.02 0.19 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 3m1a n ARG 76 Cb 0.35 -1.69 -0.15 0.00 -1.02 0.00 0.00 32.46 29.95 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 -2.94 0.00 0.00 -1.55 4.01 0.08 -4.99 117.16 111.77 3m1a n TYR 77 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 3m1a n TYR 77 Cb 1.09 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 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 1.35 2.98 3.57 2.72 0.00 0.04 -4.92 105.19 110.93 3m1a n GLY 78 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.14 0.89 -0.10 1.61 1.70 -1.25 -4.93 118.95 116.73 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 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 3m1a s ARG 79 CO 0.00 -0.40 -0.11 0.08 -1.08 0.00 0.00 175.30 173.80 3m1a s VAL 80 N -3.13 1.18 -0.13 4.99 1.01 -1.26 -4.80 120.40 118.25 3m1a s VAL 80 Ca 0.07 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 3m1a s VAL 80 Cb -0.01 -1.13 -0.26 0.00 0.00 0.00 0.00 36.38 34.99 3m1a s VAL 80 CO -0.06 0.38 0.39 0.44 0.00 0.00 0.00 175.10 176.25 3m1a h ASP 81 N 7.66 0.36 -3.27 3.32 3.32 -1.18 -3.46 116.42 123.17 3m1a h ASP 81 Ca -0.31 -0.86 -0.61 0.00 0.02 0.00 0.00 57.03 55.26 3m1a h ASP 81 Cb 1.16 -0.12 -0.34 0.00 0.22 0.00 0.00 39.33 40.25 3m1a h ASP 81 CO 0.45 1.76 -0.85 -0.69 -1.72 0.00 0.00 179.24 178.20 3m1a s VAL 82 N -2.52 1.66 -0.18 -1.35 1.01 -0.44 -0.43 120.40 118.15 3m1a s VAL 82 Ca -0.23 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 3m1a s VAL 82 Cb 0.06 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3m1a s VAL 82 CO 0.75 0.47 0.01 -0.22 0.00 0.00 0.00 175.10 176.10 3m1a s LEU 83 N 0.88 3.42 -0.27 3.92 2.96 -0.05 -1.27 118.68 128.27 3m1a s LEU 83 Ca -0.08 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 3m1a s LEU 83 Cb -0.15 -1.85 0.04 0.00 0.50 0.00 0.00 46.19 44.73 3m1a s LEU 83 CO -0.01 0.14 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.43 3m1a s VAL 84 N 0.58 2.77 -0.80 1.68 1.01 -0.03 0.14 120.40 125.75 3m1a s VAL 84 Ca -0.00 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 3m1a s VAL 84 Cb -0.14 -2.54 0.09 0.00 0.00 0.00 0.00 36.38 33.80 3m1a s VAL 84 CO 0.02 0.01 1.07 0.20 0.00 0.00 0.00 175.10 176.40 3m1a s ASN 85 N 1.25 6.39 -0.01 3.32 0.02 -0.07 -2.34 114.94 123.49 3m1a s ASN 85 Ca -0.04 -1.47 0.07 0.00 -1.02 0.00 0.00 52.86 50.40 3m1a s ASN 85 Cb -0.19 -2.42 -0.10 0.00 0.02 0.00 0.00 41.25 38.56 3m1a s ASN 85 CO -0.03 -1.29 0.14 -3.20 0.02 0.00 0.00 177.10 172.74 3m1a n ASN 86 N 7.32 3.51 -4.66 -1.22 5.15 -1.24 -1.59 115.26 122.53 3m1a n ASN 86 Ca 0.11 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.64 3m1a n ASN 86 Cb 0.47 1.28 -0.02 0.00 -0.53 0.00 0.00 39.78 40.99 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 -1.74 0.74 0.00 5.20 0.00 -1.13 -4.83 120.51 118.75 3m1a n ALA 87 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3m1a n ALA 87 Cb 0.18 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 1.51 -0.23 3.25 0.00 0.00 -1.26 -4.75 105.19 103.70 3m1a n GLY 88 Ca 0.09 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.00 0.64 0.36 1.61 1.70 -1.26 -4.56 118.95 115.44 3m1a s ARG 89 Ca 0.00 -0.07 -0.24 0.00 -0.47 0.00 0.00 55.73 54.95 3m1a s ARG 89 Cb 0.00 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.57 3m1a s ARG 89 CO 0.00 -0.17 0.95 0.99 -1.08 0.00 0.00 175.30 175.99 3m1a s THR 90 N -1.08 4.24 -0.20 4.99 2.01 -0.65 -4.99 115.64 119.96 3m1a s THR 90 Ca -0.11 1.70 -0.08 0.00 0.31 0.00 0.00 61.69 63.50 3m1a s THR 90 Cb -0.05 -3.87 0.08 0.00 0.01 0.00 0.00 72.50 68.67 3m1a s THR 90 CO 0.04 -0.01 0.44 -1.58 -0.69 0.00 0.00 174.62 172.83 3m1a s GLN 91 N -2.42 0.38 -0.04 4.92 0.74 -1.26 -1.69 119.66 120.29 3m1a s GLN 91 Ca 0.54 0.98 0.05 0.00 0.05 0.00 0.00 55.36 56.98 3m1a s GLN 91 Cb -0.16 0.22 -0.00 0.00 1.10 0.00 0.00 33.01 34.17 3m1a s GLN 91 CO 0.21 -0.21 -0.18 0.08 -0.55 0.00 0.00 175.29 174.63 3m1a s VAL 92 N 2.15 1.51 0.00 1.34 1.01 -0.33 -4.38 120.40 121.70 3m1a s VAL 92 Ca -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3m1a s VAL 92 Cb -0.10 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.98 3m1a s VAL 92 CO -0.13 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3m1a n GLY 93 N 3.09 1.62 3.74 4.51 0.00 0.10 -0.60 105.19 117.66 3m1a n GLY 93 Ca -0.18 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.94 2.44 0.19 4.61 0.00 -1.26 -4.23 121.76 121.56 3m1a s ALA 94 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 3m1a s ALA 94 Cb 0.00 -3.47 0.22 0.00 0.00 0.00 0.00 23.12 19.87 3m1a s ALA 94 CO 0.00 -1.37 1.70 0.35 0.00 0.00 0.00 175.76 176.43 3m1a h PHE 95 N 0.59 0.07 0.00 0.00 3.04 -1.95 -1.64 116.94 117.05 3m1a h PHE 95 Ca -0.50 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.44 3m1a h PHE 95 Cb 1.30 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.86 3m1a h PHE 95 CO 0.46 -0.07 -0.23 1.49 -2.02 0.00 0.00 178.31 177.93 3m1a h GLU 96 N 0.18 0.00 0.00 1.11 4.81 -2.03 -2.76 114.58 115.88 3m1a h GLU 96 Ca 0.27 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3m1a h GLU 96 Cb 0.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3m1a h GLU 96 CO -0.39 0.23 -0.31 1.49 -0.73 0.00 0.00 179.01 179.30 3m1a h GLU 97 N 0.00 0.00 -6.28 1.92 4.57 -1.67 -3.46 114.58 109.66 3m1a h GLU 97 Ca -0.00 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.62 3m1a h GLU 97 Cb 0.46 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3m1a h GLU 97 CO 0.03 0.18 0.73 0.99 -1.18 0.00 0.00 179.01 179.77 3m1a s THR 98 N -3.12 4.27 0.61 0.32 2.01 -0.90 -4.95 115.64 113.87 3m1a s THR 98 Ca 0.05 1.58 -0.11 0.00 0.31 0.00 0.00 61.69 63.53 3m1a s THR 98 Cb 0.06 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3m1a s THR 98 CO 0.71 -0.03 1.01 0.42 -0.69 0.00 0.00 174.62 176.04 3m1a s THR 99 N 2.44 4.72 0.24 -0.82 -4.23 -1.26 -4.91 115.64 111.82 3m1a s THR 99 Ca 0.55 0.83 -0.06 0.00 -1.18 0.00 0.00 61.69 61.84 3m1a s THR 99 Cb -0.24 -3.87 0.20 0.00 1.34 0.00 0.00 72.50 69.93 3m1a s THR 99 CO 0.20 -1.11 1.81 -0.08 -0.54 0.00 0.00 174.62 174.90 3m1a h GLU 100 N -0.25 0.75 -0.30 3.99 4.81 -1.99 -1.74 114.58 119.86 3m1a h GLU 100 Ca -0.44 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3m1a h GLU 100 Cb 1.19 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 3m1a h GLU 100 CO 0.62 0.50 0.09 -0.09 -0.73 0.00 0.00 179.01 179.39 3m1a h ARG 101 N 0.77 0.20 -0.77 1.92 9.65 -1.99 -0.20 114.38 123.96 3m1a h ARG 101 Ca 0.37 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.25 3m1a h ARG 101 Cb 0.31 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.80 3m1a h ARG 101 CO -0.23 0.13 0.51 0.93 2.80 0.00 0.00 179.97 184.12 3m1a h GLU 102 N 0.21 1.01 0.38 0.20 5.08 -1.88 -0.91 114.58 118.67 3m1a h GLU 102 Ca 0.14 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3m1a h GLU 102 Cb 0.12 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3m1a h GLU 102 CO -0.15 0.67 -0.18 1.25 -1.00 0.00 0.00 179.01 179.59 3m1a h LEU 103 N 1.04 -0.43 -0.30 1.33 5.85 -0.96 -2.11 115.31 119.73 3m1a h LEU 103 Ca 0.29 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.02 3m1a h LEU 103 Cb -0.10 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3m1a h LEU 103 CO -0.07 -0.24 0.00 0.03 -0.34 0.00 0.00 178.44 177.82 3m1a h ARG 104 N -0.59 0.09 -0.81 1.25 3.08 -0.94 -1.93 114.38 114.52 3m1a h ARG 104 Ca -0.05 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.05 3m1a h ARG 104 Cb 0.44 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 3m1a h ARG 104 CO 0.09 0.06 0.49 -0.44 -1.07 0.00 0.00 179.97 179.10 3m1a h ASP 105 N 0.09 0.76 -0.57 7.04 3.32 -1.15 -0.73 116.42 125.19 3m1a h ASP 105 Ca 0.14 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 3m1a h ASP 105 Cb 0.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3m1a h ASP 105 CO -0.24 0.49 0.03 0.25 -1.72 0.00 0.00 179.24 178.05 3m1a h LEU 106 N 0.89 0.98 -0.81 1.55 5.85 -1.01 -2.25 115.31 120.51 3m1a h LEU 106 Ca 0.36 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3m1a h LEU 106 Cb 0.18 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3m1a h LEU 106 CO -0.18 1.02 0.46 -0.26 -0.34 0.00 0.00 178.44 179.14 3m1a h PHE 107 N 0.93 1.10 -0.37 1.25 0.04 -0.60 -1.07 116.94 118.22 3m1a h PHE 107 Ca 0.17 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 61.00 3m1a h PHE 107 Cb 0.50 -0.35 -0.06 0.00 2.20 0.00 0.00 35.95 38.23 3m1a h PHE 107 CO 0.03 0.76 -0.05 0.93 -0.60 0.00 0.00 178.31 179.38 3m1a h GLU 108 N 1.12 0.04 -0.29 1.51 4.39 -0.89 0.96 114.58 121.43 3m1a h GLU 108 Ca 0.29 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 3m1a h GLU 108 Cb 0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3m1a h GLU 108 CO -0.05 0.03 -0.14 1.25 -1.16 0.00 0.00 179.01 178.94 3m1a h LEU 109 N 0.05 0.63 0.00 1.33 6.46 -1.27 -1.02 115.31 121.48 3m1a h LEU 109 Ca 0.18 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 3m1a h LEU 109 Cb 0.26 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 3m1a h LEU 109 CO -0.34 0.89 -1.67 1.41 -0.62 0.00 0.00 178.44 178.11 3m1a n HIS 110 N -4.42 0.04 0.07 1.25 8.25 -0.42 -4.43 115.22 115.56 3m1a n HIS 110 Ca -0.03 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3m1a n HIS 110 Cb 0.37 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.06 0.75 -0.09 1.59 0.31 0.24 -4.69 118.33 114.38 3m1a n VAL 111 Ca -0.02 0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 64.43 3m1a n VAL 111 Cb 0.50 -1.19 -0.05 0.00 -0.91 0.00 0.00 33.84 32.19 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 0.86 0.85 3.52 0.04 -1.32 -0.70 116.94 120.19 3m1a h PHE 112 Ca 0.00 -0.28 -0.04 0.00 2.80 0.00 0.00 57.97 60.45 3m1a h PHE 112 Cb 0.00 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 37.98 3m1a h PHE 112 CO 0.00 1.04 -0.41 0.78 -0.60 0.00 0.00 178.31 179.12 3m1a h GLY 113 N 0.45 -1.19 0.33 -1.45 0.00 -1.33 -1.43 103.07 98.44 3m1a h GLY 113 Ca 0.03 0.44 0.14 0.00 0.00 0.00 0.00 47.33 47.95 3m1a h GLY 113 CO 0.08 -0.43 0.56 -2.55 0.00 0.00 0.00 176.54 174.20 3m1a h PRO 114 N -1.16 0.79 -0.81 4.80 0.11 -1.77 0.86 132.00 134.82 3m1a h PRO 114 Ca -0.12 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 3m1a h PRO 114 Cb 0.88 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.77 3m1a h PRO 114 CO 0.19 0.53 0.49 0.00 -0.21 0.00 0.00 178.00 179.00 3m1a h ALA 115 N 1.56 1.03 -0.34 -0.75 0.00 -0.99 0.38 119.26 120.15 3m1a h ALA 115 Ca 0.50 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 3m1a h ALA 115 Cb 0.62 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3m1a h ALA 115 CO -0.32 0.49 -0.25 -0.09 0.00 0.00 0.00 179.25 179.08 3m1a h ARG 116 N 1.11 0.78 -0.46 0.00 2.43 -0.32 -0.80 114.38 117.11 3m1a h ARG 116 Ca 0.29 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 3m1a h ARG 116 Cb -0.05 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3m1a h ARG 116 CO -0.06 1.00 0.01 1.25 -1.51 0.00 0.00 179.97 180.67 3m1a h LEU 117 N 0.56 0.80 -0.28 3.80 6.46 -0.68 -2.24 115.31 123.72 3m1a h LEU 117 Ca 0.07 -0.30 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 3m1a h LEU 117 Cb 0.82 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 3m1a h LEU 117 CO 0.07 0.90 0.15 0.74 -0.62 0.00 0.00 178.44 179.68 3m1a h THR 118 N 0.67 1.12 -0.46 1.05 2.02 -0.88 -2.84 112.91 113.59 3m1a h THR 118 Ca 0.13 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3m1a h THR 118 Cb 0.49 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3m1a h THR 118 CO 0.02 0.12 0.22 0.03 0.37 0.00 0.00 175.52 176.29 3m1a h ARG 119 N 0.33 0.63 -0.14 6.66 3.08 -1.02 -0.31 114.38 123.62 3m1a h ARG 119 Ca 0.10 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3m1a h ARG 119 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3m1a h ARG 119 CO -0.02 0.49 -0.15 0.00 -1.07 0.00 0.00 179.97 179.23 3m1a h ALA 120 N 1.61 1.48 0.00 0.04 0.00 -1.19 -3.29 119.26 117.90 3m1a h ALA 120 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3m1a h ALA 120 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3m1a h ALA 120 CO -0.02 0.37 -1.74 1.28 0.00 0.00 0.00 179.25 179.13 3m1a n LEU 121 N -4.26 0.17 -0.18 0.00 4.77 -0.74 -4.52 117.00 112.24 3m1a n LEU 121 Ca -0.01 -0.09 -0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3m1a n LEU 121 Cb 0.28 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 3m1a n LEU 121 CO 0.38 0.04 0.89 -0.07 -1.33 0.00 0.00 177.39 177.31 3m1a h LEU 122 N 0.00 -0.07 -0.82 2.23 4.07 -1.15 -3.21 115.31 116.35 3m1a h LEU 122 Ca 0.00 0.11 0.01 0.00 0.08 0.00 0.00 57.88 58.09 3m1a h LEU 122 Cb 0.84 0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.71 3m1a h LEU 122 CO 0.00 -0.02 0.54 -0.65 -1.08 0.00 0.00 178.44 177.23 3m1a h PRO 123 N 0.21 1.07 -1.79 1.13 0.11 -1.79 -0.14 132.00 130.79 3m1a h PRO 123 Ca 0.29 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3m1a h PRO 123 Cb 0.44 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3m1a h PRO 123 CO -0.41 0.71 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 3m1a n GLN 124 N -4.52 0.30 0.00 1.05 -0.00 -1.22 -0.69 117.38 112.30 3m1a n GLN 124 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 3m1a n GLN 124 Cb 0.02 -1.35 0.00 0.00 -0.00 0.00 0.00 30.24 28.91 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 1.13 0.00 -0.11 2.61 1.74 -0.07 -1.99 116.66 119.98 3m1a n ARG 126 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3m1a n ARG 126 Cb 0.15 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.56 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 0.89 -0.44 5.56 5.08 -1.17 -3.07 114.58 121.44 3m1a h GLU 127 Ca 0.00 -0.49 -0.14 0.00 -1.00 0.00 0.00 59.36 57.72 3m1a h GLU 127 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3m1a h GLU 127 CO 0.00 1.14 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.77 3m1a h ARG 128 N 0.70 0.97 0.00 2.33 2.43 -1.64 -3.47 114.38 115.70 3m1a h ARG 128 Ca 0.05 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3m1a h ARG 128 Cb 1.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3m1a h ARG 128 CO 0.10 1.12 0.00 0.41 -1.51 0.00 0.00 179.97 180.09 3m1a n GLY 129 N -0.01 0.75 3.36 2.80 0.00 -1.16 -5.07 105.19 105.85 3m1a n GLY 129 Ca -0.01 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.57 -0.36 0.00 1.61 1.04 -1.25 -4.46 113.70 107.71 3m1a s SER 130 Ca 0.00 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 3m1a s SER 130 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3m1a s SER 130 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3m1a n GLY 131 N 0.24 3.84 2.98 7.32 0.00 -1.26 -4.70 105.19 113.61 3m1a n GLY 131 Ca -0.18 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 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 0.97 -0.21 1.61 0.01 0.42 -1.05 113.70 115.46 3m1a s SER 132 Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.12 3m1a s SER 132 Cb 0.00 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.05 3m1a s SER 132 CO 0.00 0.06 -0.14 -0.69 0.41 0.00 0.00 173.24 172.88 3m1a s VAL 133 N 0.09 2.35 -0.34 3.43 1.01 0.11 -0.87 120.40 126.18 3m1a s VAL 133 Ca -0.01 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 3m1a s VAL 133 Cb -0.06 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.29 3m1a s VAL 133 CO -0.00 0.35 0.07 -0.69 0.00 0.00 0.00 175.10 174.83 3m1a s VAL 134 N 1.28 2.90 -0.30 2.92 1.01 0.12 -1.17 120.40 127.16 3m1a s VAL 134 Ca 0.01 -1.79 -0.12 0.00 0.00 0.00 0.00 61.98 60.09 3m1a s VAL 134 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3m1a s VAL 134 CO -0.09 -0.38 0.21 0.20 0.00 0.00 0.00 175.10 175.04 3m1a s ASN 135 N 1.37 6.04 -0.43 3.32 0.02 -0.03 -0.89 114.94 124.35 3m1a s ASN 135 Ca 0.02 -0.14 -0.25 0.00 -1.02 0.00 0.00 52.86 51.47 3m1a s ASN 135 Cb -0.21 -2.13 0.02 0.00 0.02 0.00 0.00 41.25 38.96 3m1a s ASN 135 CO -0.04 -0.11 0.87 -0.63 0.02 0.00 0.00 177.10 177.21 3m1a s ILE 136 N 1.75 4.57 0.00 0.60 -1.09 -0.62 -0.93 121.20 125.49 3m1a s ILE 136 Ca 0.07 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 3m1a s ILE 136 Cb -0.16 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.36 3m1a s ILE 136 CO 0.11 -0.69 0.00 -0.24 -1.23 0.00 0.00 174.94 172.89 3m1a n SER 137 N 6.88 0.00 -3.58 3.58 2.88 0.85 -4.88 113.62 119.35 3m1a n SER 137 Ca 0.05 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.53 3m1a n SER 137 Cb 0.48 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 0.14 -0.26 0.55 -3.46 0.15 -1.22 -4.32 113.70 105.28 3m1a s SER 138 Ca 0.00 -0.09 0.27 0.00 0.70 0.00 0.00 55.95 56.83 3m1a s SER 138 Cb 0.00 0.34 1.45 0.00 -1.71 0.00 0.00 66.02 66.10 3m1a s SER 138 CO 0.00 -0.57 1.97 2.19 1.20 0.00 0.00 173.24 178.03 3m1a h PHE 139 N 2.00 0.00 0.00 3.44 -5.15 -1.71 0.83 116.94 116.35 3m1a h PHE 139 Ca -0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.56 3m1a h PHE 139 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 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 -1.60 -0.76 0.04 6.09 0.00 -1.26 -2.37 105.19 105.34 3m1a n GLY 140 Ca 0.10 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.78 -1.05 0.00 -0.02 0.00 0.29 -3.30 105.19 100.32 3m1a n GLY 141 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.74 3.41 -3.46 1.61 6.02 -1.00 -3.80 117.38 118.41 3m1a n GLN 142 Ca 0.03 -0.13 -0.15 0.00 -0.01 0.00 0.00 57.00 56.74 3m1a n GLN 142 Cb 0.17 -0.56 -0.04 0.00 1.02 0.00 0.00 30.24 30.83 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 -1.05 -0.61 0.30 1.08 0.05 -1.21 -5.05 118.68 112.20 3m1a s LEU 143 Ca 0.00 0.32 0.05 0.00 0.05 0.00 0.00 54.13 54.54 3m1a s LEU 143 Cb 0.00 2.57 -0.03 0.00 -2.05 0.00 0.00 46.19 46.67 3m1a s LEU 143 CO 0.00 -0.81 0.22 -0.55 -0.55 0.00 0.00 176.35 174.66 3m1a s SER 144 N -2.06 1.42 0.12 1.48 0.15 -1.26 -4.32 113.70 109.23 3m1a s SER 144 Ca -0.04 -1.64 -0.09 0.00 0.70 0.00 0.00 55.95 54.87 3m1a s SER 144 Cb -0.01 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 3m1a s SER 144 CO -0.03 -0.98 0.45 2.22 1.20 0.00 0.00 173.24 176.10 3m1a n PHE 145 N -0.57 -1.17 -1.80 3.44 -1.74 -1.26 -5.08 117.46 109.29 3m1a n PHE 145 Ca 0.04 -0.68 -0.41 0.00 -0.56 0.00 0.00 57.45 55.84 3m1a n PHE 145 Cb 0.64 0.34 -0.02 0.00 1.52 0.00 0.00 39.48 41.96 3m1a n PHE 145 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3m1a s ALA 146 N -1.49 3.72 0.00 1.98 0.00 -1.26 -1.81 121.76 122.90 3m1a s ALA 146 Ca 0.10 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3m1a s ALA 146 Cb -0.02 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3m1a s ALA 146 CO 0.04 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.24 3m1a n GLY 147 N 2.04 1.51 0.32 0.00 0.00 -1.26 -4.65 105.19 103.15 3m1a n GLY 147 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 0.24 -0.10 1.61 -0.00 -0.75 -0.72 117.46 115.74 3m1a n PHE 148 Ca 0.00 -0.52 -0.10 0.00 -0.00 0.00 0.00 57.45 56.83 3m1a n PHE 148 Cb 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.48 39.40 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 0.99 0.45 -0.00 -2.13 4.64 -1.79 -0.44 113.55 115.27 3m1a h SER 149 Ca 0.00 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3m1a h SER 149 Cb 0.64 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3m1a h SER 149 CO 0.01 0.58 0.00 0.00 -0.87 0.00 0.00 176.83 176.54 3m1a h ALA 150 N 0.89 0.00 0.45 5.18 0.00 -1.86 -0.49 119.26 123.43 3m1a h ALA 150 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3m1a h ALA 150 Cb 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3m1a h ALA 150 CO 0.00 -0.38 -0.44 -0.92 0.00 0.00 0.00 179.25 177.51 3m1a h TYR 151 N -0.24 -1.20 -0.84 0.00 3.20 -1.73 -2.33 116.97 113.82 3m1a h TYR 151 Ca 0.00 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.00 3m1a h TYR 151 Cb 0.24 0.47 -0.08 0.00 1.54 0.00 0.00 36.73 38.89 3m1a h TYR 151 CO 0.01 -0.60 0.46 0.77 -1.64 0.00 0.00 178.16 177.16 3m1a h SER 152 N -0.90 0.62 -0.77 -2.11 0.02 -1.09 -1.70 113.55 107.61 3m1a h SER 152 Ca -0.05 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3m1a h SER 152 Cb 0.79 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 3m1a h SER 152 CO -0.06 0.31 0.48 0.00 -1.14 0.00 0.00 176.83 176.42 3m1a h ALA 153 N 1.51 1.02 -0.25 3.77 0.00 -0.81 0.11 119.26 124.62 3m1a h ALA 153 Ca 0.43 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 3m1a h ALA 153 Cb 0.51 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3m1a h ALA 153 CO -0.30 0.25 -0.57 1.79 0.00 0.00 0.00 179.25 180.41 3m1a h THR 154 N 0.91 1.29 -0.26 0.00 1.35 -0.82 -2.29 112.91 113.09 3m1a h THR 154 Ca 0.32 -1.78 -0.16 0.00 -0.55 0.00 0.00 66.41 64.24 3m1a h THR 154 Cb 0.08 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3m1a h THR 154 CO -0.14 0.57 -0.49 0.11 -0.25 0.00 0.00 175.52 175.32 3m1a h LYS 155 N 0.59 0.70 -0.38 4.72 1.79 -1.05 -2.32 116.57 120.62 3m1a h LYS 155 Ca 0.01 -0.42 -0.07 0.00 -2.18 0.00 0.00 60.65 57.99 3m1a h LYS 155 Cb 1.17 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 3m1a h LYS 155 CO 0.12 1.04 -0.06 0.00 -1.08 0.00 0.00 179.45 179.47 3m1a h ALA 156 N 0.89 1.19 -0.32 3.86 0.00 -0.76 -0.67 119.26 123.45 3m1a h ALA 156 Ca 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3m1a h ALA 156 Cb 1.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3m1a h ALA 156 CO 0.10 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.92 3m1a h ALA 157 N 1.35 0.42 -0.50 0.00 0.00 -1.18 -1.77 119.26 117.59 3m1a h ALA 157 Ca 0.11 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3m1a h ALA 157 Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3m1a h ALA 157 CO 0.02 0.12 0.25 1.25 0.00 0.00 0.00 179.25 180.90 3m1a h LEU 158 N 0.35 0.36 -0.68 0.00 7.12 -1.16 -0.32 115.31 120.99 3m1a h LEU 158 Ca 0.10 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.15 3m1a h LEU 158 Cb 0.36 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.41 3m1a h LEU 158 CO 0.01 0.25 0.44 -0.33 -0.13 0.00 0.00 178.44 178.68 3m1a h GLU 159 N 0.49 0.87 -0.09 1.25 5.08 -0.96 -1.59 114.58 119.64 3m1a h GLU 159 Ca 0.22 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.32 3m1a h GLU 159 Cb 0.13 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3m1a h GLU 159 CO -0.15 0.58 -0.79 1.96 -1.00 0.00 0.00 179.01 179.61 3m1a h GLN 160 N 0.90 0.54 -0.75 2.33 1.08 -0.92 0.88 115.11 119.16 3m1a h GLN 160 Ca 0.25 -0.46 0.09 0.00 -1.45 0.00 0.00 58.65 57.08 3m1a h GLN 160 Cb -0.08 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.39 3m1a h GLN 160 CO -0.07 1.09 0.41 -0.07 -0.95 0.00 0.00 178.83 179.24 3m1a h LEU 161 N 0.36 0.57 -0.29 1.46 4.07 -0.96 -1.94 115.31 118.57 3m1a h LEU 161 Ca -0.05 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 3m1a h LEU 161 Cb 1.39 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 3m1a h LEU 161 CO 0.14 0.33 -0.01 0.28 -1.08 0.00 0.00 178.44 178.10 3m1a h SER 162 N 0.70 0.52 -0.39 -0.43 0.02 -0.78 -1.27 113.55 111.92 3m1a h SER 162 Ca 0.36 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3m1a h SER 162 Cb 0.34 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3m1a h SER 162 CO -0.25 0.72 0.19 -0.33 -1.14 0.00 0.00 176.83 176.03 3m1a h GLU 163 N 0.31 0.39 0.10 3.45 5.08 -0.60 0.53 114.58 123.84 3m1a h GLU 163 Ca 0.08 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3m1a h GLU 163 Cb 0.46 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3m1a h GLU 163 CO 0.02 0.26 -0.05 0.78 -1.00 0.00 0.00 179.01 179.02 3m1a h GLY 164 N 0.40 -0.14 0.41 -3.84 0.00 -1.32 -2.95 103.07 95.62 3m1a h GLY 164 Ca 0.17 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.61 3m1a h GLY 164 CO -0.12 -0.05 -0.05 -2.00 0.00 0.00 0.00 176.54 174.32 3m1a h LEU 165 N -0.29 -0.24 -0.81 3.11 5.85 -1.14 -2.59 115.31 119.20 3m1a h LEU 165 Ca -0.01 0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.98 3m1a h LEU 165 Cb 0.24 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.33 3m1a h LEU 165 CO 0.02 -0.08 0.29 0.00 -0.34 0.00 0.00 178.44 178.33 3m1a h ALA 166 N 1.30 1.18 -0.35 1.25 0.00 -0.85 -0.43 119.26 121.36 3m1a h ALA 166 Ca 0.15 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 3m1a h ALA 166 Cb 0.23 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3m1a h ALA 166 CO -0.30 -0.31 -0.21 0.22 0.00 0.00 0.00 179.25 178.64 3m1a h ASP 167 N 0.36 0.68 0.23 0.00 3.58 -1.29 -2.29 116.42 117.70 3m1a h ASP 167 Ca 0.48 -0.23 -0.15 0.00 0.42 0.00 0.00 57.03 57.55 3m1a h ASP 167 Cb 0.84 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 3m1a h ASP 167 CO -0.50 0.89 -0.56 -0.33 -2.88 0.00 0.00 179.24 175.86 3m1a h GLU 168 N 0.60 0.35 -0.01 0.28 5.08 -0.79 -3.33 114.58 116.75 3m1a h GLU 168 Ca 0.09 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3m1a h GLU 168 Cb 0.69 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3m1a h GLU 168 CO 0.05 0.82 -0.34 1.33 -1.00 0.00 0.00 179.01 179.87 3m1a n VAL 169 N -3.92 0.00 -0.28 3.13 0.24 -0.48 -4.44 118.33 112.58 3m1a n VAL 169 Ca -0.03 -0.33 0.05 0.00 -2.04 0.00 0.00 64.34 61.99 3m1a n VAL 169 Cb 0.60 1.19 0.19 0.00 -1.47 0.00 0.00 33.84 34.34 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 2.79 1.15 0.00 2.33 0.00 -1.52 -1.05 119.26 122.96 3m1a h ALA 170 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m1a h ALA 170 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3m1a h ALA 170 CO 0.00 -0.09 0.00 -1.35 0.00 0.00 0.00 179.25 177.81 3m1a h PRO 171 N 0.59 0.00 -0.42 0.00 0.11 -1.82 -0.93 132.00 129.54 3m1a h PRO 171 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3m1a h PRO 171 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3m1a h PRO 171 CO -0.34 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.64 3m1a n PHE 172 N -2.82 0.55 -1.18 0.65 3.01 -0.41 -4.95 117.46 112.30 3m1a n PHE 172 Ca -0.02 -0.27 -0.06 0.00 1.01 0.00 0.00 57.45 58.10 3m1a n PHE 172 Cb 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 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 1.45 0.87 3.75 1.37 0.00 -0.35 -3.89 105.19 108.38 3m1a n GLY 173 Ca 0.19 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.21 4.80 -0.15 -0.61 1.01 -1.11 -4.29 121.20 118.64 3m1a s ILE 174 Ca 0.00 1.50 -0.09 0.00 0.00 0.00 0.00 60.65 62.05 3m1a s ILE 174 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3m1a s ILE 174 CO 0.00 0.38 0.17 -0.54 0.00 0.00 0.00 174.94 174.94 3m1a s LYS 175 N -0.05 3.86 -0.11 2.79 1.02 -0.21 -4.29 119.74 122.74 3m1a s LYS 175 Ca 0.36 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.24 3m1a s LYS 175 Cb -0.20 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 3m1a s LYS 175 CO 0.21 0.52 -0.12 0.08 -0.92 0.00 0.00 175.35 175.12 3m1a s VAL 176 N -0.30 1.28 -0.13 3.17 1.01 -1.26 0.07 120.40 124.25 3m1a s VAL 176 Ca 0.13 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3m1a s VAL 176 Cb -0.12 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.06 3m1a s VAL 176 CO 0.02 0.40 -0.14 -0.22 0.00 0.00 0.00 175.10 175.17 3m1a s LEU 177 N 1.35 1.64 -0.26 3.92 2.96 -0.32 -4.57 118.68 123.40 3m1a s LEU 177 Ca -0.00 -0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 53.31 3m1a s LEU 177 Cb -0.14 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 3m1a s LEU 177 CO -0.06 -0.03 0.41 -0.63 -1.32 0.00 0.00 176.35 174.72 3m1a s ILE 178 N 1.29 5.15 -0.17 6.68 1.01 0.62 -0.85 121.20 134.93 3m1a s ILE 178 Ca -0.00 0.66 -0.08 0.00 0.00 0.00 0.00 60.65 61.22 3m1a s ILE 178 Cb -0.14 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3m1a s ILE 178 CO -0.06 0.15 0.11 -0.69 0.00 0.00 0.00 174.94 174.45 3m1a s VAL 179 N 2.05 5.24 -0.64 2.92 1.01 -0.11 -0.92 120.40 129.95 3m1a s VAL 179 Ca 0.17 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.32 3m1a s VAL 179 Cb -0.16 -3.35 0.18 0.00 0.00 0.00 0.00 36.38 33.06 3m1a s VAL 179 CO 0.09 0.50 0.49 -0.62 0.00 0.00 0.00 175.10 175.57 3m1a n GLU 180 N 3.03 1.58 -2.50 2.72 1.02 0.47 -0.10 120.64 126.85 3m1a n GLU 180 Ca -0.17 -4.24 -0.27 0.00 -0.02 0.00 0.00 57.16 52.46 3m1a n GLU 180 Cb 0.53 -2.15 0.02 0.00 -0.02 0.00 0.00 31.44 29.82 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 -1.29 3.11 0.00 3.49 0.04 -1.26 -1.55 135.00 137.54 3m1a s PRO 181 Ca 0.28 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.34 3m1a s PRO 181 Cb -0.00 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3m1a s PRO 181 CO -0.16 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.76 3m1a n GLY 182 N -2.46 1.46 3.82 0.56 0.00 -1.06 -3.18 105.19 104.34 3m1a n GLY 182 Ca 0.03 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.88 2.95 0.18 4.61 0.00 -1.26 -4.89 121.76 120.46 3m1a s ALA 183 Ca 0.00 0.31 0.10 0.00 0.00 0.00 0.00 51.96 52.36 3m1a s ALA 183 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 3m1a s ALA 183 CO 0.00 -0.38 -0.15 -0.06 0.00 0.00 0.00 175.76 175.16 3m1a s PHE 184 N -2.47 2.51 0.37 0.00 0.08 -1.26 -0.00 117.98 117.21 3m1a s PHE 184 Ca 0.61 -0.27 -0.28 0.00 0.12 0.00 0.00 56.93 57.11 3m1a s PHE 184 Cb -0.12 -1.24 -0.11 0.00 -0.57 0.00 0.00 43.02 40.98 3m1a s PHE 184 CO 0.30 0.50 1.42 -0.98 -0.10 0.00 0.00 175.22 176.36 3m1a s ARG 185 N -2.73 4.15 0.00 0.44 1.70 -0.13 -4.72 118.95 117.66 3m1a s ARG 185 Ca 0.23 2.44 0.00 0.00 -0.47 0.00 0.00 55.73 57.93 3m1a s ARG 185 Cb -0.09 -2.97 0.00 0.00 -0.57 0.00 0.00 34.95 31.32 3m1a s ARG 185 CO 0.13 -0.45 0.61 0.25 -1.08 0.00 0.00 175.30 174.77 3m1a n THR 186 N 0.50 0.24 0.17 4.99 -2.24 -1.26 -4.71 114.28 111.97 3m1a n THR 186 Ca 0.01 -0.61 0.05 0.00 -2.27 0.00 0.00 64.05 61.23 3m1a n THR 186 Cb 0.40 0.89 0.16 0.00 -2.10 0.00 0.00 70.33 69.69 3m1a n THR 186 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3m1a h ASN 187 N 0.00 0.00 0.01 3.42 -0.00 -1.92 -1.53 115.58 115.56 3m1a h ASN 187 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.30 55.93 3m1a h ASN 187 Cb 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.40 3m1a h ASN 187 CO 0.00 0.42 -2.09 0.18 -0.00 0.00 0.00 177.43 175.94 3m1a n LEU 188 N -3.31 2.15 -0.34 6.14 7.99 -1.26 -4.69 117.00 123.69 3m1a n LEU 188 Ca 0.01 0.28 0.11 0.00 -0.01 0.00 0.00 56.01 56.41 3m1a n LEU 188 Cb 0.63 -0.91 0.04 0.00 -0.11 0.00 0.00 43.42 43.07 3m1a n LEU 188 CO 0.38 0.57 0.29 0.49 -1.51 0.00 0.00 177.39 177.61 3m1a n PHE 189 N -4.08 0.00 -2.55 -1.77 3.72 -1.25 -5.05 117.46 106.48 3m1a n PHE 189 Ca -0.44 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.00 3m1a n PHE 189 Cb 0.86 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 39.36 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 -1.88 3.30 1.37 0.00 -0.58 -0.40 105.19 108.44 3m1a n GLY 190 Ca 0.08 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.71 1.19 0.95 1.61 3.01 -1.26 -3.10 119.74 121.43 3m1a s LYS 191 Ca 0.00 -1.40 -0.15 0.00 -1.01 0.00 0.00 55.97 53.41 3m1a s LYS 191 Cb 0.00 -1.09 0.17 0.00 -1.01 0.00 0.00 37.83 35.90 3m1a s LYS 191 CO 0.00 0.20 1.20 0.20 0.51 0.00 0.00 175.35 177.47 3m1a s GLY 192 N -2.80 1.65 0.57 -3.33 0.00 -1.26 -4.66 107.32 97.49 3m1a s GLY 192 Ca 0.15 -0.84 -0.18 0.00 0.00 0.00 0.00 44.72 43.86 3m1a s GLY 192 CO 0.05 -0.18 1.08 0.00 0.00 0.00 0.00 173.10 174.06 3m1a s ALA 193 N -3.50 2.70 -0.05 3.20 0.00 -1.26 -4.90 121.76 117.94 3m1a s ALA 193 Ca 0.68 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 3m1a s ALA 193 Cb -0.10 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3m1a s ALA 193 CO 0.53 -0.80 0.12 0.00 0.00 0.00 0.00 175.76 175.61 3m1a s ALA 194 N -2.14 -0.26 -0.07 0.00 0.00 -1.26 -1.64 121.76 116.39 3m1a s ALA 194 Ca 0.68 0.41 0.04 0.00 0.00 0.00 0.00 51.96 53.08 3m1a s ALA 194 Cb -0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3m1a s ALA 194 CO 0.32 -0.08 -0.20 -0.47 0.00 0.00 0.00 175.76 175.32 3m1a s TYR 195 N 0.37 2.58 -0.22 0.00 5.04 -0.68 -4.98 117.35 119.47 3m1a s TYR 195 Ca -0.03 -0.57 0.01 0.00 -2.44 0.00 0.00 57.07 54.04 3m1a s TYR 195 Cb -0.04 -1.66 0.05 0.00 0.35 0.00 0.00 41.96 40.67 3m1a s TYR 195 CO -0.01 -0.12 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.93 3m1a s PHE 196 N -0.19 2.50 0.84 4.97 0.08 -1.26 -1.19 117.98 123.73 3m1a s PHE 196 Ca -0.02 -1.73 -0.12 0.00 0.12 0.00 0.00 56.93 55.18 3m1a s PHE 196 Cb -0.13 -1.65 0.10 0.00 -0.57 0.00 0.00 43.02 40.77 3m1a s PHE 196 CO 0.03 -0.77 1.19 -1.12 -0.10 0.00 0.00 175.22 174.46 3m1a s SER 197 N 1.36 3.35 0.39 1.36 0.01 0.23 -4.96 113.70 115.45 3m1a s SER 197 Ca -0.04 2.33 -0.27 0.00 1.31 0.00 0.00 55.95 59.28 3m1a s SER 197 Cb -0.18 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.36 3m1a s SER 197 CO -0.07 -2.83 1.41 -1.84 0.41 0.00 0.00 173.24 170.32 3m1a n GLU 198 N -3.58 2.39 -3.61 12.44 0.28 -1.26 -4.86 120.64 122.43 3m1a n GLU 198 Ca 0.13 0.84 -0.40 0.00 -0.16 0.00 0.00 57.16 57.57 3m1a n GLU 198 Cb 0.51 -2.56 -0.11 0.00 1.43 0.00 0.00 31.44 30.70 3m1a n GLU 198 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3m1a s GLU 199 N -2.16 2.85 0.60 3.44 2.02 -1.26 -4.78 118.70 119.42 3m1a s GLU 199 Ca 0.56 -1.06 -0.15 0.00 0.02 0.00 0.00 54.97 54.35 3m1a s GLU 199 Cb -0.49 -3.70 -0.03 0.00 0.10 0.00 0.00 34.13 30.01 3m1a s GLU 199 CO 0.61 -0.67 1.05 -0.80 0.02 0.00 0.00 175.26 175.47 3m1a s ASN 200 N 1.55 5.81 0.56 -0.19 -0.87 -1.26 -4.77 114.94 115.76 3m1a s ASN 200 Ca 0.02 1.76 0.27 0.00 -1.57 0.00 0.00 52.86 53.34 3m1a s ASN 200 Cb -0.19 -2.53 1.48 0.00 -0.02 0.00 0.00 41.25 40.00 3m1a s ASN 200 CO 0.06 -1.15 2.00 -0.65 -2.57 0.00 0.00 177.10 174.79 3m1a h PRO 201 N 0.32 0.00 0.00 -0.60 0.11 -1.99 0.57 132.00 130.41 3m1a h PRO 201 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3m1a h PRO 201 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3m1a h PRO 201 CO 0.58 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.30 3m1a h ALA 202 N 1.68 1.02 -0.00 -0.75 0.00 -2.04 -3.21 119.26 115.95 3m1a h ALA 202 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m1a h ALA 202 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3m1a h ALA 202 CO -0.00 0.09 -0.19 0.66 0.00 0.00 0.00 179.25 179.81 3m1a n TYR 203 N -3.20 0.00 -0.26 0.00 4.01 0.00 -4.80 117.16 112.92 3m1a n TYR 203 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 3m1a n TYR 203 Cb 0.35 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.54 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 0.77 1.06 -0.98 -0.72 0.00 -1.04 -0.21 119.26 118.14 3m1a h ALA 204 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m1a h ALA 204 Cb 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3m1a h ALA 204 CO 0.00 -0.07 0.63 1.49 0.00 0.00 0.00 179.25 181.30 3m1a h GLU 205 N 0.60 1.31 0.21 0.00 4.81 -1.87 -0.81 114.58 118.83 3m1a h GLU 205 Ca 0.38 -0.09 -0.32 0.00 -0.13 0.00 0.00 59.36 59.20 3m1a h GLU 205 Cb 0.45 -0.29 0.02 0.00 0.63 0.00 0.00 28.75 29.57 3m1a h GLU 205 CO -0.30 0.88 -1.48 0.87 -0.73 0.00 0.00 179.01 178.25 3m1a h LYS 206 N 1.34 0.44 0.04 1.92 1.79 -1.77 -3.39 116.57 116.94 3m1a h LYS 206 Ca 0.36 -0.75 -0.28 0.00 -2.18 0.00 0.00 60.65 57.80 3m1a h LYS 206 Cb -0.12 0.28 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 3m1a h LYS 206 CO -0.07 1.36 -1.51 0.28 -1.08 0.00 0.00 179.45 178.43 3m1a h VAL 207 N 0.02 1.12 -0.52 0.50 2.07 -1.03 -3.37 116.25 115.05 3m1a h VAL 207 Ca -0.28 -2.88 0.05 0.00 0.82 0.00 0.00 66.70 64.41 3m1a h VAL 207 Cb 2.04 2.61 -0.08 0.00 -1.52 0.00 0.00 31.29 34.35 3m1a h VAL 207 CO 0.21 0.71 -0.50 1.23 0.02 0.00 0.00 177.57 179.24 3m1a h GLY 208 N 2.79 -1.11 1.37 2.17 0.00 -1.34 0.13 103.07 107.07 3m1a h GLY 208 Ca -0.21 0.77 0.09 0.00 0.00 0.00 0.00 47.33 47.97 3m1a h GLY 208 CO 0.11 -0.16 0.23 -2.55 0.00 0.00 0.00 176.54 174.17 3m1a h PRO 209 N -0.24 0.00 -0.22 4.80 0.11 -1.78 -1.66 132.00 133.01 3m1a h PRO 209 Ca 0.09 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 3m1a h PRO 209 Cb 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3m1a h PRO 209 CO -0.62 0.00 -0.11 1.15 -0.21 0.00 0.00 178.00 178.21 3m1a h THR 210 N 0.00 1.31 -0.76 -1.15 2.02 -1.18 -1.38 112.91 111.78 3m1a h THR 210 Ca 0.14 -1.19 0.11 0.00 0.77 0.00 0.00 66.41 66.24 3m1a h THR 210 Cb 0.60 1.62 -0.08 0.00 -1.74 0.00 0.00 68.15 68.55 3m1a h THR 210 CO -0.00 0.36 0.38 -0.09 0.37 0.00 0.00 175.52 176.54 3m1a h ARG 211 N 0.17 0.60 -0.32 6.66 2.43 -0.39 -1.73 114.38 121.80 3m1a h ARG 211 Ca 0.05 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3m1a h ARG 211 Cb 0.61 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3m1a h ARG 211 CO 0.03 0.40 0.21 0.37 -1.51 0.00 0.00 179.97 179.47 3m1a h GLN 212 N 0.62 0.41 -0.19 0.20 5.75 -1.14 -1.19 115.11 119.57 3m1a h GLN 212 Ca 0.38 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 3m1a h GLN 212 Cb 0.44 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3m1a h GLN 212 CO -0.29 0.27 0.12 1.25 -2.65 0.00 0.00 178.83 177.53 3m1a h LEU 213 N 0.42 0.22 -0.56 -2.39 5.85 -0.85 0.66 115.31 118.66 3m1a h LEU 213 Ca 0.12 -0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.65 3m1a h LEU 213 Cb -0.04 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3m1a h LEU 213 CO -0.03 0.19 -0.65 0.58 -0.34 0.00 0.00 178.44 178.18 3m1a h VAL 214 N 0.24 1.39 0.00 1.05 2.07 -1.13 -2.06 116.25 117.81 3m1a h VAL 214 Ca 0.07 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.52 3m1a h VAL 214 Cb 0.00 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3m1a h VAL 214 CO -0.01 0.61 0.00 0.00 0.02 0.00 0.00 177.57 178.19 3m1a n GLN 215 N -3.85 0.47 -0.75 1.57 6.02 -0.47 -4.86 117.38 115.51 3m1a n GLN 215 Ca -0.03 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3m1a n GLN 215 Cb 0.65 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 0.41 0.81 1.71 1.08 0.00 -0.78 -5.07 105.19 103.35 3m1a n GLY 216 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3m1a n GLY 216 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m1a n SER 217 N 0.00 5.87 0.00 1.61 7.64 0.20 -4.72 113.62 124.23 3m1a n SER 217 Ca 0.00 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.11 3m1a n SER 217 Cb 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 3m1a n SER 217 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3m1a n SER 220 N 0.81 -0.40 -3.81 6.43 2.88 -1.26 -4.72 113.62 113.54 3m1a n SER 220 Ca 0.17 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.47 3m1a n SER 220 Cb 0.56 0.56 -0.17 0.00 -0.75 0.00 0.00 64.21 64.40 3m1a n SER 220 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3m1a s GLN 221 N -5.11 0.91 0.28 -1.46 0.00 -1.26 -5.14 119.66 107.87 3m1a s GLN 221 Ca 0.00 -0.05 -0.25 0.00 -0.00 0.00 0.00 55.36 55.06 3m1a s GLN 221 Cb 0.00 -1.25 -0.09 0.00 0.00 0.00 0.00 33.01 31.67 3m1a s GLN 221 CO 0.00 -0.32 0.88 -1.25 0.00 0.00 0.00 175.29 174.60 3m1a s PRO 222 N 1.88 4.53 0.79 9.60 0.04 -1.26 -4.77 135.00 145.80 3m1a s PRO 222 Ca 0.05 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 3m1a s PRO 222 Cb -0.13 -2.90 0.06 0.00 0.04 0.00 0.00 34.50 31.57 3m1a s PRO 222 CO -0.06 0.35 1.12 0.20 0.04 0.00 0.00 177.00 178.65 3m1a s GLY 223 N -1.55 1.61 -0.40 0.56 0.00 1.00 -4.66 107.32 103.89 3m1a s GLY 223 Ca 0.46 -0.42 -0.12 0.00 0.00 0.00 0.00 44.72 44.65 3m1a s GLY 223 CO 0.24 0.03 0.25 -0.35 0.00 0.00 0.00 173.10 173.27 3m1a s ASP 224 N -4.26 5.85 0.31 1.64 3.68 -1.26 -0.96 116.67 121.67 3m1a s ASP 224 Ca 0.61 -1.08 -0.01 0.00 2.13 0.00 0.00 52.55 54.20 3m1a s ASP 224 Cb -0.12 -2.07 0.49 0.00 -1.45 0.00 0.00 42.92 39.77 3m1a s ASP 224 CO 0.52 -0.45 1.94 -0.65 0.13 0.00 0.00 175.17 176.66 3m1a h PRO 225 N 8.51 0.94 -0.83 4.34 0.11 -1.97 -0.46 132.00 142.64 3m1a h PRO 225 Ca -0.26 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 3m1a h PRO 225 Cb 1.10 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 3m1a h PRO 225 CO 0.72 0.68 0.38 0.00 -0.21 0.00 0.00 178.00 179.56 3m1a h ALA 226 N 1.48 1.10 -0.27 -0.75 0.00 -1.94 -0.15 119.26 118.73 3m1a h ALA 226 Ca 0.24 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3m1a h ALA 226 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3m1a h ALA 226 CO -0.04 0.66 -0.33 0.87 0.00 0.00 0.00 179.25 180.42 3m1a h LYS 227 N 1.19 0.58 -0.63 0.00 1.57 -1.80 -2.25 116.57 115.22 3m1a h LYS 227 Ca 0.28 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3m1a h LYS 227 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3m1a h LYS 227 CO -0.03 0.83 0.05 0.00 -0.57 0.00 0.00 179.45 179.73 3m1a h ALA 228 N 1.15 0.85 -0.54 3.86 0.00 -0.80 -1.81 119.26 121.97 3m1a h ALA 228 Ca 0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3m1a h ALA 228 Cb 0.81 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3m1a h ALA 228 CO 0.07 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.12 3m1a h ALA 229 N 1.01 0.71 -0.99 0.00 0.00 -0.85 -2.12 119.26 117.03 3m1a h ALA 229 Ca 0.19 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3m1a h ALA 229 Cb 0.51 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3m1a h ALA 229 CO 0.02 0.41 0.65 0.00 0.00 0.00 0.00 179.25 180.33 3m1a h ALA 230 N 1.02 1.36 -0.86 0.00 0.00 -1.30 -2.67 119.26 116.80 3m1a h ALA 230 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3m1a h ALA 230 Cb 0.33 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3m1a h ALA 230 CO 0.00 0.54 0.45 0.00 0.00 0.00 0.00 179.25 180.25 3m1a h ALA 231 N 1.42 1.10 -0.05 0.00 0.00 -0.82 -0.85 119.26 120.06 3m1a h ALA 231 Ca 0.40 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3m1a h ALA 231 Cb 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3m1a h ALA 231 CO -0.13 0.62 -0.06 0.82 0.00 0.00 0.00 179.25 180.50 3m1a h ILE 232 N 1.20 0.82 -0.51 0.00 2.04 -1.08 -1.02 117.51 118.96 3m1a h ILE 232 Ca 0.30 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.18 3m1a h ILE 232 Cb 0.05 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3m1a h ILE 232 CO -0.05 0.00 0.32 0.03 0.00 0.00 0.00 178.15 178.45 3m1a h ARG 233 N -0.09 0.62 -0.07 2.37 3.08 -1.20 0.03 114.38 119.13 3m1a h ARG 233 Ca 0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3m1a h ARG 233 Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3m1a h ARG 233 CO -0.10 0.41 -0.04 1.25 -1.07 0.00 0.00 179.97 180.42 3m1a h LEU 234 N 0.64 -0.13 -0.49 3.04 6.46 -1.02 0.80 115.31 124.62 3m1a h LEU 234 Ca 0.20 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 58.04 3m1a h LEU 234 Cb -0.02 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.94 3m1a h LEU 234 CO -0.07 -0.06 0.22 0.00 -0.62 0.00 0.00 178.44 177.91 3m1a h ALA 235 N 1.02 0.61 0.00 1.25 0.00 -0.70 -0.61 119.26 120.84 3m1a h ALA 235 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3m1a h ALA 235 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3m1a h ALA 235 CO -0.09 -0.15 -0.21 -0.07 0.00 0.00 0.00 179.25 178.73 3m1a h LEU 236 N 0.43 0.00 -0.11 0.00 3.38 -0.71 -2.93 115.31 115.37 3m1a h LEU 236 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3m1a h LEU 236 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3m1a h LEU 236 CO -0.18 0.21 -0.21 -0.67 0.09 0.00 0.00 178.44 177.68 3m1a n ASP 237 N -4.08 0.38 -4.75 -0.43 2.03 0.25 -4.83 116.55 105.13 3m1a n ASP 237 Ca -0.02 -0.19 -0.40 0.00 0.52 0.00 0.00 54.79 54.69 3m1a n ASP 237 Cb 0.28 -0.08 -0.05 0.00 -0.72 0.00 0.00 41.12 40.54 3m1a n ASP 237 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3m1a s THR 238 N -2.78 4.32 0.19 5.18 2.01 -0.67 -4.97 115.64 118.92 3m1a s THR 238 Ca 0.19 1.99 -0.14 0.00 0.31 0.00 0.00 61.69 64.04 3m1a s THR 238 Cb 0.19 -4.28 0.15 0.00 0.01 0.00 0.00 72.50 68.57 3m1a s THR 238 CO 0.56 0.43 1.66 1.05 -0.69 0.00 0.00 174.62 177.63 3m1a h GLU 239 N 4.82 0.05 -4.11 4.92 9.09 -1.88 -3.09 114.58 124.38 3m1a h GLU 239 Ca -0.44 -0.00 -0.77 0.00 0.05 0.00 0.00 59.36 58.20 3m1a h GLU 239 Cb 1.21 -0.01 -0.24 0.00 -1.65 0.00 0.00 28.75 28.06 3m1a h GLU 239 CO 0.69 0.03 0.47 -1.59 0.05 0.00 0.00 179.01 178.66 3m1a s LYS 240 N -6.20 3.80 0.03 1.06 0.00 -1.26 -5.02 119.74 112.15 3m1a s LYS 240 Ca -0.14 -2.52 -0.30 0.00 0.00 0.00 0.00 55.97 53.01 3m1a s LYS 240 Cb 0.17 -4.63 -0.07 0.00 0.00 0.00 0.00 37.83 33.30 3m1a s LYS 240 CO 0.72 -1.43 1.50 0.99 0.00 0.00 0.00 175.35 177.13 3m1a s THR 241 N 0.48 3.46 0.58 3.79 2.01 -1.17 -4.99 115.64 119.80 3m1a s THR 241 Ca 0.27 0.86 -0.19 0.00 0.31 0.00 0.00 61.69 62.94 3m1a s THR 241 Cb -0.08 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3m1a s THR 241 CO -0.08 -0.00 1.17 -2.16 -0.69 0.00 0.00 174.62 172.86 3m1a s PRO 242 N 2.50 3.08 0.21 4.92 0.04 -1.26 -4.94 135.00 139.55 3m1a s PRO 242 Ca 0.68 1.72 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 3m1a s PRO 242 Cb -0.35 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.40 3m1a s PRO 242 CO 0.29 -1.09 1.73 1.25 0.04 0.00 0.00 177.00 179.21 3m1a h LEU 243 N 0.93 1.04 -8.63 -3.56 5.85 -1.94 -3.43 115.31 105.57 3m1a h LEU 243 Ca -0.50 -0.22 -0.60 0.00 0.84 0.00 0.00 57.88 57.40 3m1a h LEU 243 Cb 1.28 -0.27 -0.25 0.00 0.37 0.00 0.00 40.66 41.79 3m1a h LEU 243 CO 0.56 1.00 -0.85 -0.13 -0.34 0.00 0.00 178.44 178.68 3m1a s ARG 244 N -5.28 1.39 -0.26 1.25 0.52 -1.26 -0.28 118.95 115.02 3m1a s ARG 244 Ca -0.12 -1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 54.04 3m1a s ARG 244 Cb 0.15 -1.57 0.08 0.00 0.52 0.00 0.00 34.95 34.13 3m1a s ARG 244 CO 0.84 0.39 0.06 -1.17 0.02 0.00 0.00 175.30 175.44 3m1a s LEU 245 N -1.40 1.98 0.39 2.53 2.96 -0.10 -4.93 118.68 120.10 3m1a s LEU 245 Ca 0.08 -1.32 -0.25 0.00 -0.22 0.00 0.00 54.13 52.42 3m1a s LEU 245 Cb -0.09 -0.83 -0.09 0.00 0.50 0.00 0.00 46.19 45.68 3m1a s LEU 245 CO 0.03 -0.36 1.07 0.00 -1.32 0.00 0.00 176.35 175.77 3m1a s ALA 246 N 1.66 3.13 -0.11 5.97 0.00 -1.26 -0.40 121.76 130.74 3m1a s ALA 246 Ca 0.04 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 3m1a s ALA 246 Cb -0.17 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.68 3m1a s ALA 246 CO -0.17 -0.26 -0.05 -0.51 0.00 0.00 0.00 175.76 174.78 3m1a s LEU 247 N -2.48 1.08 0.00 0.00 1.43 -0.59 -4.87 118.68 113.25 3m1a s LEU 247 Ca 0.56 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3m1a s LEU 247 Cb -0.24 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.24 3m1a s LEU 247 CO 0.31 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.34 3m1a n GLY 248 N 4.99 2.26 0.32 -3.19 0.00 -1.26 -2.55 105.19 105.77 3m1a n GLY 248 Ca -0.11 -1.74 -0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 0.94 0.90 -0.02 0.00 -1.98 -1.91 103.07 101.01 3m1a h GLY 249 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3m1a h GLY 249 CO 0.00 0.42 0.09 -0.55 0.00 0.00 0.00 176.54 176.50 3m1a h ASP 250 N 0.88 0.43 -0.22 0.19 3.32 -1.88 -1.20 116.42 117.92 3m1a h ASP 250 Ca 0.22 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3m1a h ASP 250 Cb 0.10 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3m1a h ASP 250 CO -0.03 0.52 0.12 0.00 -1.72 0.00 0.00 179.24 178.13 3m1a h ALA 251 N 0.93 0.28 -0.59 3.45 0.00 -1.72 -0.66 119.26 120.95 3m1a h ALA 251 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3m1a h ALA 251 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3m1a h ALA 251 CO -0.00 -0.18 0.36 0.28 0.00 0.00 0.00 179.25 179.70 3m1a h VAL 252 N 0.25 1.06 -0.16 0.00 2.07 -1.26 -0.12 116.25 118.09 3m1a h VAL 252 Ca 0.08 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3m1a h VAL 252 Cb 0.07 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3m1a h VAL 252 CO -0.01 0.13 0.07 0.44 0.02 0.00 0.00 177.57 178.22 3m1a h ASP 253 N 0.71 0.10 -0.16 0.57 3.32 -1.05 -0.24 116.42 119.67 3m1a h ASP 253 Ca 0.24 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3m1a h ASP 253 Cb 0.03 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3m1a h ASP 253 CO -0.10 0.08 0.09 -0.26 -1.72 0.00 0.00 179.24 177.33 3m1a h PHE 254 N 0.16 0.18 -0.21 4.55 0.04 -0.85 -0.66 116.94 120.14 3m1a h PHE 254 Ca 0.07 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 3m1a h PHE 254 Cb 0.02 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3m1a h PHE 254 CO -0.10 0.11 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.63 3m1a h LEU 255 N 0.20 0.38 -0.66 1.54 3.38 -0.90 -1.31 115.31 117.94 3m1a h LEU 255 Ca 0.06 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3m1a h LEU 255 Cb -0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3m1a h LEU 255 CO -0.03 0.62 0.13 0.71 0.09 0.00 0.00 178.44 179.97 3m1a h THR 256 N 0.14 1.26 -0.95 0.22 1.35 -1.07 -1.95 112.91 111.91 3m1a h THR 256 Ca 0.06 -0.99 0.07 0.00 -0.55 0.00 0.00 66.41 64.99 3m1a h THR 256 Cb 0.44 0.63 -0.06 0.00 -1.73 0.00 0.00 68.15 67.42 3m1a h THR 256 CO 0.01 0.37 0.62 1.23 -0.25 0.00 0.00 175.52 177.50 3m1a h GLY 257 N 1.00 1.41 0.85 5.82 0.00 -0.93 -2.40 103.07 108.82 3m1a h GLY 257 Ca 0.20 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 3m1a h GLY 257 CO 0.01 0.31 -0.50 0.84 0.00 0.00 0.00 176.54 177.21 3m1a h HIS 258 N 1.09 0.67 -0.93 5.60 6.17 -1.04 -2.18 115.15 124.53 3m1a h HIS 258 Ca 0.41 -0.30 0.06 0.00 0.71 0.00 0.00 60.37 61.24 3m1a h HIS 258 Cb 0.19 -0.10 -0.06 0.00 2.52 0.00 0.00 27.41 29.96 3m1a h HIS 258 CO -0.00 1.08 0.59 -0.07 0.71 0.00 0.00 177.93 180.24 3m1a h LEU 259 N 0.07 0.95 0.53 0.26 3.38 -1.27 -0.00 115.31 119.24 3m1a h LEU 259 Ca -0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3m1a h LEU 259 Cb 1.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3m1a h LEU 259 CO 0.10 0.62 -0.33 -0.78 0.09 0.00 0.00 178.44 178.14 3m1a h ASP 260 N 1.09 -0.84 -0.58 -0.43 -0.00 -1.42 -0.57 116.42 113.68 3m1a h ASP 260 Ca 0.40 0.05 -0.05 0.00 -0.00 0.00 0.00 57.03 57.42 3m1a h ASP 260 Cb 0.13 0.25 -0.03 0.00 -0.00 0.00 0.00 39.33 39.68 3m1a h ASP 260 CO -0.16 -0.52 0.18 0.77 -0.00 0.00 0.00 179.24 179.51 3m1a h SER 261 N -0.82 0.88 -0.00 2.28 4.64 -1.06 -0.15 113.55 119.30 3m1a h SER 261 Ca -0.06 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3m1a h SER 261 Cb 0.67 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3m1a h SER 261 CO 0.06 0.83 0.00 0.58 -0.87 0.00 0.00 176.83 177.43 3m1a h VAL 262 N 0.91 1.22 -0.54 0.95 2.07 -0.95 -1.57 116.25 118.34 3m1a h VAL 262 Ca 0.20 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3m1a h VAL 262 Cb 0.28 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3m1a h VAL 262 CO -0.01 0.17 0.35 -0.09 0.02 0.00 0.00 177.57 178.01 3m1a h ARG 263 N -0.27 0.72 -0.55 1.57 9.65 -0.98 -1.56 114.38 122.96 3m1a h ARG 263 Ca 0.00 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.88 3m1a h ARG 263 Cb 0.27 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 28.65 3m1a h ARG 263 CO 0.00 0.50 0.28 0.00 2.80 0.00 0.00 179.97 183.55 3m1a h ALA 264 N 1.18 0.72 -0.63 2.80 0.00 -0.90 -0.57 119.26 121.86 3m1a h ALA 264 Ca 0.20 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3m1a h ALA 264 Cb -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3m1a h ALA 264 CO -0.04 -0.06 0.11 1.49 0.00 0.00 0.00 179.25 180.75 3m1a h GLU 265 N 0.55 1.01 -0.48 0.00 4.81 -1.09 -1.21 114.58 118.16 3m1a h GLU 265 Ca 0.25 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3m1a h GLU 265 Cb 0.16 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3m1a h GLU 265 CO -0.17 0.93 0.28 1.25 -0.73 0.00 0.00 179.01 180.58 3m1a h LEU 266 N 0.96 0.46 -0.09 1.64 5.85 -0.88 -1.62 115.31 121.63 3m1a h LEU 266 Ca 0.19 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3m1a h LEU 266 Cb 0.41 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3m1a h LEU 266 CO 0.01 0.32 0.03 0.74 -0.34 0.00 0.00 178.44 179.21 3m1a h THR 267 N 0.57 1.15 -0.69 1.05 2.02 -0.74 -1.33 112.91 114.94 3m1a h THR 267 Ca 0.20 -0.43 0.09 0.00 0.77 0.00 0.00 66.41 67.04 3m1a h THR 267 Cb 0.02 1.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 3m1a h THR 267 CO -0.09 0.13 0.33 -0.08 0.37 0.00 0.00 175.52 176.17 3m1a h GLU 268 N -0.02 0.55 -0.62 6.66 4.57 -1.07 -2.57 114.58 122.08 3m1a h GLU 268 Ca 0.03 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3m1a h GLU 268 Cb 0.17 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3m1a h GLU 268 CO -0.00 0.36 0.00 0.91 -1.18 0.00 0.00 179.01 179.10 3m1a n TRP 269 N -4.89 0.83 -0.20 0.92 7.02 -0.62 -4.65 117.44 115.84 3m1a n TRP 269 Ca 0.11 -0.41 -0.07 0.00 -1.02 0.00 0.00 57.50 56.10 3m1a n TRP 269 Cb 0.28 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.19 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 3.64 0.83 -0.54 -0.99 4.81 -0.81 0.26 114.58 121.78 3m1a h GLU 270 Ca 0.00 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3m1a h GLU 270 Cb 0.83 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 3m1a h GLU 270 CO 0.00 0.70 0.34 0.87 -0.73 0.00 0.00 179.01 180.19 3m1a h LYS 271 N 0.78 0.67 -0.04 1.92 1.57 -1.82 0.13 116.57 119.77 3m1a h LYS 271 Ca 0.19 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3m1a h LYS 271 Cb 0.15 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3m1a h LYS 271 CO -0.02 0.44 -0.06 0.28 -0.57 0.00 0.00 179.45 179.52 3m1a h VAL 272 N 0.69 0.83 -0.46 0.50 2.07 -1.79 -0.37 116.25 117.72 3m1a h VAL 272 Ca 0.21 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 3m1a h VAL 272 Cb -0.03 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3m1a h VAL 272 CO -0.07 0.00 0.10 0.28 0.02 0.00 0.00 177.57 177.91 3m1a h SER 273 N -0.09 0.03 1.21 0.57 0.02 -0.30 -2.03 113.55 112.96 3m1a h SER 273 Ca 0.04 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3m1a h SER 273 Cb 0.14 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3m1a h SER 273 CO -0.10 0.05 -0.26 0.03 -1.14 0.00 0.00 176.83 175.42 3m1a h ARG 274 N 0.24 0.00 0.00 3.45 3.08 -0.62 -3.22 114.38 117.32 3m1a h ARG 274 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3m1a h ARG 274 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3m1a h ARG 274 CO -0.28 0.26 0.00 0.41 -1.07 0.00 0.00 179.97 179.29 3m1a n GLY 275 N 0.54 -0.64 0.03 0.04 0.00 -0.16 -2.94 105.19 102.06 3m1a n GLY 275 Ca 0.01 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.15 0.00 1.40 2.61 -2.24 -1.22 -5.08 114.28 108.61 3m1a n THR 276 Ca 0.09 -0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 3m1a n THR 276 Cb 0.09 0.33 0.44 0.00 -2.10 0.00 0.00 70.33 69.09 3m1a n THR 276 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97