#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1a s LYS 6 N 0.00 2.37 -0.38 0.00 -0.14 -1.26 -4.95 119.74 115.37 3m1a s LYS 6 Ca 0.00 -0.82 -0.17 0.00 -1.36 0.00 0.00 55.97 53.62 3m1a s LYS 6 Cb 0.00 -2.38 0.01 0.00 -1.68 0.00 0.00 37.83 33.77 3m1a s LYS 6 CO 0.00 0.58 0.42 0.08 -0.76 0.00 0.00 175.35 175.67 3m1a s VAL 7 N -0.98 5.10 -0.17 3.17 1.01 -1.26 -0.39 120.40 126.88 3m1a s VAL 7 Ca 0.16 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 3m1a s VAL 7 Cb -0.11 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3m1a s VAL 7 CO 0.07 -0.28 0.11 0.26 0.00 0.00 0.00 175.10 175.26 3m1a s TRP 8 N 2.14 3.40 -0.27 5.22 0.52 0.14 -0.86 118.94 129.22 3m1a s TRP 8 Ca 0.13 0.30 -0.02 0.00 0.02 0.00 0.00 56.10 56.53 3m1a s TRP 8 Cb -0.17 -2.07 0.03 0.00 -1.15 0.00 0.00 33.47 30.11 3m1a s TRP 8 CO 0.13 0.36 -0.03 -1.17 0.02 0.00 0.00 176.95 176.26 3m1a s LEU 9 N 0.01 3.48 -0.25 2.99 2.96 0.23 -0.34 118.68 127.76 3m1a s LEU 9 Ca 0.08 -1.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.00 3m1a s LEU 9 Cb -0.12 -1.69 0.05 0.00 0.50 0.00 0.00 46.19 44.93 3m1a s LEU 9 CO -0.00 -0.18 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.06 3m1a s VAL 10 N 1.31 2.37 0.47 1.68 1.01 -0.49 -0.09 120.40 126.66 3m1a s VAL 10 Ca -0.02 -1.42 -0.20 0.00 0.00 0.00 0.00 61.98 60.35 3m1a s VAL 10 Cb -0.18 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.80 3m1a s VAL 10 CO -0.03 0.07 0.98 0.42 0.00 0.00 0.00 175.10 176.55 3m1a s THR 11 N 1.18 4.24 -1.62 3.92 -4.23 -0.40 -1.25 115.64 117.48 3m1a s THR 11 Ca -0.05 1.32 -0.01 0.00 -1.18 0.00 0.00 61.69 61.77 3m1a s THR 11 Cb -0.19 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.08 3m1a s THR 11 CO -0.05 -0.38 0.12 0.61 -0.54 0.00 0.00 174.62 174.38 3m1a n GLY 12 N -0.74 -0.44 0.00 3.99 0.00 -0.46 -2.81 105.19 104.73 3m1a n GLY 12 Ca 0.08 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.27 1.92 -0.24 4.61 0.00 -0.46 -3.51 120.51 120.55 3m1a n ALA 13 Ca -0.20 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.21 3m1a n ALA 13 Cb 0.66 -1.32 0.28 0.00 0.00 0.00 0.00 19.45 19.08 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 0.00 0.81 -5.24 0.00 0.87 -1.89 -2.46 113.55 105.64 3m1a h SER 14 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 3m1a h SER 14 Cb 0.32 -0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.02 3m1a h SER 14 CO 0.00 0.53 -0.11 -0.94 -0.53 0.00 0.00 176.83 175.78 3m1a s SER 15 N -6.13 -0.10 1.97 6.23 1.04 -1.23 -4.81 113.70 110.67 3m1a s SER 15 Ca -0.11 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.40 3m1a s SER 15 Cb 0.19 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.90 3m1a s SER 15 CO 0.79 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3m1a n GLY 16 N -0.38 3.69 0.28 7.32 0.00 -0.50 -3.02 105.19 112.58 3m1a n GLY 16 Ca -0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 3m1a n GLY 16 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m1a h PHE 17 N 0.00 1.09 -0.60 1.61 3.57 -1.90 -2.86 116.94 117.85 3m1a h PHE 17 Ca 0.00 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.33 3m1a h PHE 17 Cb 0.00 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 3m1a h PHE 17 CO 0.00 1.01 0.35 0.78 -2.23 0.00 0.00 178.31 178.22 3m1a h GLY 18 N 0.86 0.87 0.88 2.40 0.00 -1.70 -0.91 103.07 105.46 3m1a h GLY 18 Ca 0.14 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.24 3m1a h GLY 18 CO 0.04 0.19 0.24 0.07 0.00 0.00 0.00 176.54 177.08 3m1a h ARG 19 N 0.68 0.47 -0.83 4.80 -0.00 -1.35 -1.94 114.38 116.21 3m1a h ARG 19 Ca 0.25 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 60.17 3m1a h ARG 19 Cb 0.09 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.97 29.91 3m1a h ARG 19 CO -0.13 0.31 0.40 0.00 -0.00 0.00 0.00 179.97 180.55 3m1a h ALA 20 N 1.19 1.13 -0.19 0.08 0.00 -1.23 -0.27 119.26 119.98 3m1a h ALA 20 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3m1a h ALA 20 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3m1a h ALA 20 CO -0.09 0.65 -0.01 0.82 0.00 0.00 0.00 179.25 180.62 3m1a h ILE 21 N 1.18 1.26 -0.53 0.00 2.04 -1.02 -0.91 117.51 119.53 3m1a h ILE 21 Ca 0.29 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3m1a h ILE 21 Cb 0.12 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3m1a h ILE 21 CO -0.04 0.28 0.17 0.00 0.00 0.00 0.00 178.15 178.56 3m1a h ALA 22 N 0.77 0.69 -0.78 1.87 0.00 -1.21 -1.34 119.26 119.26 3m1a h ALA 22 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3m1a h ALA 22 Cb 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3m1a h ALA 22 CO 0.01 0.35 0.52 1.49 0.00 0.00 0.00 179.25 181.62 3m1a h GLU 23 N 0.73 0.93 -0.19 0.00 4.57 -1.04 -2.26 114.58 117.31 3m1a h GLU 23 Ca 0.17 -0.06 -0.21 0.00 -1.18 0.00 0.00 59.36 58.09 3m1a h GLU 23 Cb 0.27 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3m1a h GLU 23 CO -0.01 0.61 -0.70 0.00 -1.18 0.00 0.00 179.01 177.74 3m1a h ALA 24 N 1.54 0.40 0.15 2.92 0.00 -0.58 -2.56 119.26 121.14 3m1a h ALA 24 Ca 0.31 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3m1a h ALA 24 Cb 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3m1a h ALA 24 CO -0.09 0.69 -0.10 0.00 0.00 0.00 0.00 179.25 179.75 3m1a h ALA 25 N 0.65 -0.23 -0.76 0.00 0.00 -1.03 -1.32 119.26 116.56 3m1a h ALA 25 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3m1a h ALA 25 Cb 1.32 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 3m1a h ALA 25 CO 0.14 -0.64 0.38 -0.39 0.00 0.00 0.00 179.25 178.74 3m1a h VAL 26 N -0.24 1.24 0.00 0.00 -1.51 -1.48 -0.98 116.25 113.29 3m1a h VAL 26 Ca -0.01 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 64.78 3m1a h VAL 26 Cb 0.21 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 29.64 3m1a h VAL 26 CO 0.01 0.28 -0.04 0.00 -1.23 0.00 0.00 177.57 176.59 3m1a h ALA 27 N 1.19 1.28 -0.00 5.19 0.00 -1.34 -1.57 119.26 124.01 3m1a h ALA 27 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3m1a h ALA 27 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3m1a h ALA 27 CO -0.03 0.05 -0.37 0.00 0.00 0.00 0.00 179.25 178.90 3m1a n ALA 28 N -2.23 3.26 0.00 0.00 0.00 -0.51 -4.95 120.51 116.08 3m1a n ALA 28 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3m1a n ALA 28 Cb 0.15 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.45 0.83 3.94 0.00 0.00 -0.59 -5.06 105.19 105.76 3m1a n GLY 29 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.31 4.88 -0.18 1.61 -0.00 -0.46 -4.69 116.67 115.52 3m1a s ASP 30 Ca 0.00 0.37 -0.08 0.00 -0.00 0.00 0.00 52.55 52.84 3m1a s ASP 30 Cb 0.00 -1.06 -0.04 0.00 -0.00 0.00 0.00 42.92 41.82 3m1a s ASP 30 CO 0.00 -1.53 0.09 -0.89 -0.00 0.00 0.00 175.17 172.84 3m1a s THR 31 N -3.17 5.05 -0.06 -1.27 2.01 0.47 -4.27 115.64 114.39 3m1a s THR 31 Ca 0.60 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.71 3m1a s THR 31 Cb -0.11 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.13 3m1a s THR 31 CO 0.44 0.47 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.92 3m1a s VAL 32 N 0.18 1.93 -0.32 3.82 1.01 0.36 0.24 120.40 127.63 3m1a s VAL 32 Ca 0.06 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3m1a s VAL 32 Cb -0.12 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.67 3m1a s VAL 32 CO -0.00 0.54 0.05 -0.63 0.00 0.00 0.00 175.10 175.06 3m1a s ILE 33 N -0.04 3.29 -0.08 2.22 1.01 0.54 -1.38 121.20 126.76 3m1a s ILE 33 Ca -0.06 -1.34 -0.16 0.00 0.00 0.00 0.00 60.65 59.09 3m1a s ILE 33 Cb -0.14 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 3m1a s ILE 33 CO 0.04 -0.17 0.40 -0.83 0.00 0.00 0.00 174.94 174.38 3m1a s GLY 34 N 1.35 2.38 0.07 6.18 0.00 0.26 -1.39 107.32 116.17 3m1a s GLY 34 Ca -0.03 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.48 3m1a s GLY 34 CO 0.00 0.44 -0.08 -0.51 0.00 0.00 0.00 173.10 172.95 3m1a s THR 35 N -0.07 3.48 0.18 0.90 -4.23 -0.38 -0.35 115.64 115.17 3m1a s THR 35 Ca 0.23 -1.08 -0.17 0.00 -1.18 0.00 0.00 61.69 59.49 3m1a s THR 35 Cb -0.15 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.13 3m1a s THR 35 CO 0.10 0.22 0.49 0.00 -0.54 0.00 0.00 174.62 174.88 3m1a s ALA 36 N -1.14 -0.89 0.23 3.99 0.00 -0.75 -1.35 121.76 121.85 3m1a s ALA 36 Ca 0.20 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.89 3m1a s ALA 36 Cb -0.11 0.83 0.39 0.00 0.00 0.00 0.00 23.12 24.22 3m1a s ALA 36 CO 0.12 -0.76 1.76 0.00 0.00 0.00 0.00 175.76 176.88 3m1a h ARG 37 N 2.25 0.53 -4.72 0.00 -0.00 -1.86 0.27 114.38 110.85 3m1a h ARG 37 Ca -0.30 -0.03 -0.57 0.00 -0.50 0.00 0.00 59.98 58.58 3m1a h ARG 37 Cb 1.26 -0.12 -0.34 0.00 0.00 0.00 0.00 29.97 30.77 3m1a h ARG 37 CO 0.40 0.35 -0.83 1.03 0.00 0.00 0.00 179.97 180.92 3m1a s ARG 38 N -6.04 2.09 0.38 0.04 0.52 -1.26 -4.37 118.95 110.30 3m1a s ARG 38 Ca -0.12 -0.53 0.11 0.00 -0.52 0.00 0.00 55.73 54.66 3m1a s ARG 38 Cb 0.19 -1.73 0.75 0.00 0.52 0.00 0.00 34.95 34.68 3m1a s ARG 38 CO 0.76 -0.00 1.87 1.79 0.02 0.00 0.00 175.30 179.74 3m1a h THR 39 N 5.94 1.22 0.00 0.02 1.35 -1.85 -3.22 112.91 116.36 3m1a h THR 39 Ca -0.29 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3m1a h THR 39 Cb 1.19 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3m1a h THR 39 CO 0.48 0.30 0.26 -0.33 -0.25 0.00 0.00 175.52 175.98 3m1a h GLU 40 N 0.12 0.00 0.00 4.72 3.07 -1.97 -1.27 114.58 119.25 3m1a h GLU 40 Ca 0.02 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3m1a h GLU 40 Cb 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3m1a h GLU 40 CO 0.04 0.00 -0.43 0.00 -1.40 0.00 0.00 179.01 177.21 3m1a h ALA 41 N 1.32 0.79 -0.49 3.43 0.00 -1.93 -3.31 119.26 119.07 3m1a h ALA 41 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3m1a h ALA 41 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3m1a h ALA 41 CO 0.00 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.75 3m1a n LEU 42 N -3.03 3.47 -0.24 0.00 4.77 -0.48 -4.69 117.00 116.81 3m1a n LEU 42 Ca 0.02 -1.59 -0.03 0.00 -0.03 0.00 0.00 56.01 54.38 3m1a n LEU 42 Cb 0.61 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 3m1a n LEU 42 CO 0.37 0.79 1.12 0.44 -1.33 0.00 0.00 177.39 178.79 3m1a h ASP 43 N 4.21 0.65 -0.75 -1.43 5.19 -1.67 -2.31 116.42 120.30 3m1a h ASP 43 Ca 0.00 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 3m1a h ASP 43 Cb 0.94 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.29 3m1a h ASP 43 CO 0.00 0.44 0.36 -2.24 -3.12 0.00 0.00 179.24 174.68 3m1a h ASP 44 N 0.78 0.99 -0.18 6.45 -0.00 -1.89 0.91 116.42 123.49 3m1a h ASP 44 Ca 0.28 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.03 57.20 3m1a h ASP 44 Cb 0.08 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.15 3m1a h ASP 44 CO -0.13 0.84 0.10 0.25 -0.00 0.00 0.00 179.24 180.30 3m1a h LEU 45 N 1.09 0.22 -1.30 0.15 5.85 -1.78 0.17 115.31 119.71 3m1a h LEU 45 Ca 0.26 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3m1a h LEU 45 Cb 0.11 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3m1a h LEU 45 CO -0.03 0.24 0.28 0.58 -0.34 0.00 0.00 178.44 179.17 3m1a h VAL 46 N 0.19 1.18 -0.42 1.05 2.07 -1.22 -0.65 116.25 118.44 3m1a h VAL 46 Ca 0.06 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3m1a h VAL 46 Cb 0.07 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3m1a h VAL 46 CO -0.01 0.20 0.02 0.00 0.02 0.00 0.00 177.57 177.79 3m1a h ALA 47 N 1.55 0.56 -0.36 1.67 0.00 -0.35 -2.64 119.26 119.69 3m1a h ALA 47 Ca 0.19 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3m1a h ALA 47 Cb 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3m1a h ALA 47 CO -0.03 0.33 -0.43 0.00 0.00 0.00 0.00 179.25 179.13 3m1a h ALA 48 N 0.90 0.53 -2.77 0.00 0.00 -0.29 -3.36 119.26 114.28 3m1a h ALA 48 Ca 0.12 -0.47 -0.61 0.00 0.00 0.00 0.00 54.91 53.95 3m1a h ALA 48 Cb 0.46 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 17.73 3m1a h ALA 48 CO 0.02 0.67 -0.65 0.66 0.00 0.00 0.00 179.25 179.95 3m1a n TYR 49 N -4.05 2.64 0.23 0.00 4.01 -0.29 -4.97 117.16 114.73 3m1a n TYR 49 Ca -0.03 -4.12 0.10 0.00 -0.16 0.00 0.00 57.90 53.69 3m1a n TYR 49 Cb 0.57 -0.48 0.51 0.00 -0.31 0.00 0.00 39.34 39.63 3m1a n TYR 49 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3m1a h PRO 50 N 5.11 0.00 -0.00 -0.72 0.13 -1.63 -1.41 132.00 133.48 3m1a h PRO 50 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3m1a h PRO 50 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3m1a h PRO 50 CO 0.69 0.21 -0.65 -0.25 -0.23 0.00 0.00 178.00 177.77 3m1a n ASP 51 N -3.46 0.85 0.00 1.44 10.43 -1.26 -4.52 116.55 120.03 3m1a n ASP 51 Ca -0.00 -0.68 0.00 0.00 2.57 0.00 0.00 54.79 56.68 3m1a n ASP 51 Cb 0.39 0.52 0.00 0.00 1.84 0.00 0.00 41.12 43.87 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 -1.30 0.88 -5.17 -1.24 1.74 -1.09 -5.03 116.66 105.45 3m1a n ARG 52 Ca 0.06 -0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.75 3m1a n ARG 52 Cb 0.34 -0.41 -0.17 0.00 -1.02 0.00 0.00 32.46 31.21 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 -0.15 2.04 0.03 7.54 0.00 -0.55 -0.48 121.76 130.19 3m1a s ALA 53 Ca 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.04 3m1a s ALA 53 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3m1a s ALA 53 CO 0.00 0.36 -0.11 -2.00 0.00 0.00 0.00 175.76 174.01 3m1a s GLU 54 N -0.00 0.78 -0.19 0.00 2.12 -0.48 -4.73 118.70 116.20 3m1a s GLU 54 Ca -0.07 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.57 3m1a s GLU 54 Cb -0.14 -0.74 -0.02 0.00 0.26 0.00 0.00 34.13 33.49 3m1a s GLU 54 CO 0.05 0.18 -0.02 0.00 -0.54 0.00 0.00 175.26 174.93 3m1a s ALA 55 N -0.79 2.98 0.06 6.30 0.00 -1.26 -0.57 121.76 128.47 3m1a s ALA 55 Ca -0.00 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.06 3m1a s ALA 55 Cb -0.07 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 3m1a s ALA 55 CO 0.01 -0.11 -0.21 0.42 0.00 0.00 0.00 175.76 175.87 3m1a s ILE 56 N 0.93 2.58 -0.34 0.00 1.01 0.53 -4.96 121.20 120.95 3m1a s ILE 56 Ca 0.01 -1.33 -0.27 0.00 0.00 0.00 0.00 60.65 59.06 3m1a s ILE 56 Cb -0.14 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.25 3m1a s ILE 56 CO 0.02 0.29 0.97 -0.55 0.00 0.00 0.00 174.94 175.67 3m1a s SER 57 N -1.53 6.78 -0.20 3.58 0.15 -1.26 -1.81 113.70 119.41 3m1a s SER 57 Ca 0.14 0.78 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 3m1a s SER 57 Cb -0.10 -2.49 0.10 0.00 -1.71 0.00 0.00 66.02 61.81 3m1a s SER 57 CO 0.05 -0.84 0.41 -0.22 1.20 0.00 0.00 173.24 173.83 3m1a s LEU 58 N 3.51 -0.63 -0.40 3.45 2.96 0.96 -4.92 118.68 123.60 3m1a s LEU 58 Ca 0.41 0.83 -0.17 0.00 -0.22 0.00 0.00 54.13 54.97 3m1a s LEU 58 Cb -0.12 1.28 0.01 0.00 0.50 0.00 0.00 46.19 47.86 3m1a s LEU 58 CO 0.17 -0.24 0.46 -0.62 -1.32 0.00 0.00 176.35 174.79 3m1a s ASP 59 N 2.59 6.22 0.00 3.68 -1.08 -1.26 -3.28 116.67 123.55 3m1a s ASP 59 Ca 0.01 -0.46 0.19 0.00 -0.52 0.00 0.00 52.55 51.77 3m1a s ASP 59 Cb -0.13 -2.24 1.02 0.00 -1.46 0.00 0.00 42.92 40.12 3m1a s ASP 59 CO -0.13 -0.54 1.57 1.33 0.52 0.00 0.00 175.17 177.91 3m1a n VAL 60 N 5.45 0.28 0.39 1.11 0.24 -1.26 -1.27 118.33 123.27 3m1a n VAL 60 Ca -0.07 0.07 0.14 0.00 -2.04 0.00 0.00 64.34 62.44 3m1a n VAL 60 Cb 0.48 -0.76 0.45 0.00 -1.47 0.00 0.00 33.84 32.54 3m1a n VAL 60 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3m1a h THR 61 N 0.00 0.00 -3.29 3.34 2.02 -1.93 -3.36 112.91 109.70 3m1a h THR 61 Ca 0.00 -0.53 -0.74 0.00 0.77 0.00 0.00 66.41 65.91 3m1a h THR 61 Cb 0.11 1.45 -0.27 0.00 -1.74 0.00 0.00 68.15 67.70 3m1a h THR 61 CO 0.00 0.00 -0.28 -0.62 0.37 0.00 0.00 175.52 174.99 3m1a s ASP 62 N -5.10 5.97 0.24 4.18 -1.08 -0.40 -4.96 116.67 115.53 3m1a s ASP 62 Ca 0.06 -1.99 -0.05 0.00 -0.52 0.00 0.00 52.55 50.04 3m1a s ASP 62 Cb 0.09 -2.10 0.37 0.00 -1.46 0.00 0.00 42.92 39.82 3m1a s ASP 62 CO 0.54 -0.73 1.81 1.23 0.52 0.00 0.00 175.17 178.54 3m1a h GLY 63 N 8.48 1.22 0.99 2.66 0.00 -1.85 -1.77 103.07 112.79 3m1a h GLY 63 Ca -0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3m1a h GLY 63 CO 0.91 0.12 0.31 0.83 0.00 0.00 0.00 176.54 178.71 3m1a h GLU 64 N 0.75 0.86 -0.15 4.80 3.07 -1.96 -2.18 114.58 119.78 3m1a h GLU 64 Ca 0.38 -0.11 -0.11 0.00 -0.50 0.00 0.00 59.36 59.02 3m1a h GLU 64 Cb 0.34 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 3m1a h GLU 64 CO -0.24 0.68 -0.38 -0.09 -1.40 0.00 0.00 179.01 177.58 3m1a h ARG 65 N 0.83 0.32 0.10 2.33 9.65 -1.77 -1.96 114.38 123.87 3m1a h ARG 65 Ca 0.21 -0.14 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 3m1a h ARG 65 Cb 0.08 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 3m1a h ARG 65 CO -0.03 0.65 -0.12 0.82 2.80 0.00 0.00 179.97 184.09 3m1a h ILE 66 N 0.27 0.71 -0.77 1.20 2.04 -1.08 -0.75 117.51 119.13 3m1a h ILE 66 Ca 0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.99 3m1a h ILE 66 Cb 0.79 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 3m1a h ILE 66 CO 0.06 0.00 0.40 0.44 0.00 0.00 0.00 178.15 179.05 3m1a h ASP 67 N -0.26 0.52 0.05 1.72 5.19 -1.15 0.21 116.42 122.69 3m1a h ASP 67 Ca 0.01 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3m1a h ASP 67 Cb 0.26 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3m1a h ASP 67 CO -0.05 0.28 -0.02 0.58 -3.12 0.00 0.00 179.24 176.91 3m1a h VAL 68 N 0.65 1.23 -0.28 -1.35 2.07 -1.24 -2.48 116.25 114.85 3m1a h VAL 68 Ca 0.39 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3m1a h VAL 68 Cb 0.43 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 3m1a h VAL 68 CO -0.29 0.24 -0.06 0.58 0.02 0.00 0.00 177.57 178.07 3m1a h VAL 69 N -0.50 0.73 -0.42 2.57 2.07 -0.97 -0.72 116.25 119.02 3m1a h VAL 69 Ca -0.01 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3m1a h VAL 69 Cb 0.45 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3m1a h VAL 69 CO 0.01 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.75 3m1a h ALA 70 N 1.27 0.50 -0.61 1.67 0.00 -0.98 -0.87 119.26 120.25 3m1a h ALA 70 Ca 0.13 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3m1a h ALA 70 Cb 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3m1a h ALA 70 CO -0.28 -0.24 0.03 0.00 0.00 0.00 0.00 179.25 178.76 3m1a h ALA 71 N 1.28 0.81 -0.52 0.00 0.00 -1.20 -2.19 119.26 117.44 3m1a h ALA 71 Ca 0.20 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3m1a h ALA 71 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3m1a h ALA 71 CO -0.20 0.63 0.07 0.22 0.00 0.00 0.00 179.25 179.98 3m1a h ASP 72 N 0.95 0.84 -0.31 0.00 3.58 -0.80 -1.50 116.42 119.18 3m1a h ASP 72 Ca 0.17 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 3m1a h ASP 72 Cb 0.53 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3m1a h ASP 72 CO 0.03 0.89 0.16 0.58 -2.88 0.00 0.00 179.24 178.02 3m1a h VAL 73 N 0.75 1.15 -0.08 2.25 2.07 -1.07 -1.99 116.25 119.32 3m1a h VAL 73 Ca 0.16 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 3m1a h VAL 73 Cb 0.42 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3m1a h VAL 73 CO 0.01 0.15 -0.35 -0.07 0.02 0.00 0.00 177.57 177.34 3m1a h LEU 74 N 0.38 0.17 -0.11 2.57 3.38 -1.25 0.18 115.31 120.63 3m1a h LEU 74 Ca 0.11 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3m1a h LEU 74 Cb 0.10 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3m1a h LEU 74 CO -0.01 0.51 -0.16 0.00 0.09 0.00 0.00 178.44 178.87 3m1a h ALA 75 N 1.50 0.16 0.01 1.53 0.00 -1.24 -1.39 119.26 119.84 3m1a h ALA 75 Ca 0.02 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.33 3m1a h ALA 75 Cb 0.69 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3m1a h ALA 75 CO 0.05 0.06 -1.38 0.00 0.00 0.00 0.00 179.25 177.99 3m1a h ARG 76 N -0.13 0.02 0.00 0.00 3.08 -1.21 -3.37 114.38 112.77 3m1a h ARG 76 Ca 0.01 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.82 3m1a h ARG 76 Cb 0.71 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 3m1a h ARG 76 CO 0.04 0.77 -2.22 0.66 -1.07 0.00 0.00 179.97 178.15 3m1a n TYR 77 N -3.21 0.00 0.00 3.04 4.01 0.62 -5.01 117.16 116.61 3m1a n TYR 77 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3m1a n TYR 77 Cb 1.00 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 1.56 2.73 3.61 2.72 0.00 -0.52 -4.96 105.19 110.32 3m1a n GLY 78 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.61 0.32 -0.12 1.61 1.70 -1.26 -4.94 118.95 115.65 3m1a s ARG 79 Ca 0.00 -0.15 -0.00 0.00 -0.47 0.00 0.00 55.73 55.11 3m1a s ARG 79 Cb 0.00 0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.54 3m1a s ARG 79 CO 0.00 -0.14 -0.08 0.08 -1.08 0.00 0.00 175.30 174.08 3m1a s VAL 80 N -2.39 1.08 -0.09 4.99 1.01 -1.26 -4.80 120.40 118.94 3m1a s VAL 80 Ca 0.11 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 3m1a s VAL 80 Cb 0.01 -1.11 -0.28 0.00 0.00 0.00 0.00 36.38 35.00 3m1a s VAL 80 CO -0.04 0.34 0.59 0.44 0.00 0.00 0.00 175.10 176.42 3m1a h ASP 81 N 8.16 0.46 -3.27 3.32 3.32 -1.37 -3.45 116.42 123.59 3m1a h ASP 81 Ca -0.30 -0.89 -0.57 0.00 0.02 0.00 0.00 57.03 55.29 3m1a h ASP 81 Cb 1.13 -0.15 -0.37 0.00 0.22 0.00 0.00 39.33 40.16 3m1a h ASP 81 CO 0.41 1.69 -0.81 -0.69 -1.72 0.00 0.00 179.24 178.12 3m1a s VAL 82 N -2.51 1.33 -0.24 -1.35 1.01 -0.48 -0.41 120.40 117.74 3m1a s VAL 82 Ca -0.19 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 3m1a s VAL 82 Cb 0.05 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3m1a s VAL 82 CO 0.80 0.27 0.27 -0.22 0.00 0.00 0.00 175.10 176.21 3m1a s LEU 83 N 1.56 4.09 -0.30 3.92 2.96 -0.05 -0.60 118.68 130.25 3m1a s LEU 83 Ca 0.02 0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.13 3m1a s LEU 83 Cb -0.14 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.31 3m1a s LEU 83 CO -0.09 -0.04 0.02 -0.69 -1.32 0.00 0.00 176.35 174.23 3m1a s VAL 84 N 1.47 3.16 -0.70 1.68 1.01 0.88 -0.18 120.40 127.71 3m1a s VAL 84 Ca 0.12 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 3m1a s VAL 84 Cb -0.15 -2.79 0.07 0.00 0.00 0.00 0.00 36.38 33.51 3m1a s VAL 84 CO 0.08 -0.09 1.03 0.20 0.00 0.00 0.00 175.10 176.32 3m1a s ASN 85 N 1.29 6.22 0.00 3.32 -0.87 -0.46 -1.28 114.94 123.17 3m1a s ASN 85 Ca -0.04 -1.03 0.00 0.00 -1.57 0.00 0.00 52.86 50.22 3m1a s ASN 85 Cb -0.19 -2.44 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 3m1a s ASN 85 CO -0.00 -1.46 0.00 -3.20 -2.57 0.00 0.00 177.10 169.86 3m1a n ASN 86 N 7.86 4.06 -4.64 -1.22 5.15 -1.23 -1.32 115.26 123.92 3m1a n ASN 86 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 3m1a n ASN 86 Cb 0.46 0.75 -0.01 0.00 -0.53 0.00 0.00 39.78 40.45 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 -1.29 0.56 0.00 5.20 0.00 -1.12 -4.77 120.51 119.08 3m1a n ALA 87 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3m1a n ALA 87 Cb 0.06 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.37 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 1.00 -1.70 3.24 0.00 0.00 -1.26 -4.67 105.19 101.80 3m1a n GLY 88 Ca 0.07 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.84 0.94 0.28 1.61 1.70 -1.26 -4.60 118.95 115.77 3m1a s ARG 89 Ca 0.00 -1.03 -0.18 0.00 -0.47 0.00 0.00 55.73 54.04 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 -0.31 0.76 0.95 -1.08 0.00 0.00 175.30 175.61 3m1a s THR 90 N -3.90 4.58 -0.05 4.99 -4.23 -0.79 -4.98 115.64 111.27 3m1a s THR 90 Ca 0.09 1.20 -0.06 0.00 -1.18 0.00 0.00 61.69 61.74 3m1a s THR 90 Cb 0.04 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 70.14 3m1a s THR 90 CO -0.07 0.02 0.16 -1.58 -0.54 0.00 0.00 174.62 172.61 3m1a s GLN 91 N -2.44 0.26 -0.03 3.99 0.74 -1.26 -1.04 119.66 119.89 3m1a s GLN 91 Ca 0.49 0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.99 3m1a s GLN 91 Cb -0.14 0.12 0.03 0.00 1.10 0.00 0.00 33.01 34.12 3m1a s GLN 91 CO 0.19 -0.04 0.03 0.08 -0.55 0.00 0.00 175.29 175.00 3m1a s VAL 92 N -0.23 -0.02 -0.28 1.34 1.01 -0.71 -4.61 120.40 116.90 3m1a s VAL 92 Ca -0.03 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 3m1a s VAL 92 Cb -0.03 -0.15 0.17 0.00 0.00 0.00 0.00 36.38 36.37 3m1a s VAL 92 CO 0.01 0.13 1.30 -0.83 0.00 0.00 0.00 175.10 175.71 3m1a s GLY 93 N 1.46 0.14 0.56 4.51 0.00 0.00 -1.17 107.32 112.83 3m1a s GLY 93 Ca -0.04 3.07 -0.21 0.00 0.00 0.00 0.00 44.72 47.54 3m1a s GLY 93 CO -0.03 1.66 1.33 0.00 0.00 0.00 0.00 173.10 176.07 3m1a s ALA 94 N -0.26 2.74 0.18 3.20 0.00 -1.26 -3.83 121.76 122.54 3m1a s ALA 94 Ca 0.06 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 3m1a s ALA 94 Cb -0.04 -3.55 0.15 0.00 0.00 0.00 0.00 23.12 19.68 3m1a s ALA 94 CO -0.11 -1.37 1.64 0.35 0.00 0.00 0.00 175.76 176.28 3m1a h PHE 95 N 1.31 -0.33 0.00 0.00 3.04 -1.96 -1.56 116.94 117.45 3m1a h PHE 95 Ca -0.51 0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.40 3m1a h PHE 95 Cb 1.30 0.22 -0.01 0.00 2.56 0.00 0.00 35.95 40.02 3m1a h PHE 95 CO 0.46 -0.24 -0.41 1.49 -2.02 0.00 0.00 178.31 177.59 3m1a h GLU 96 N -0.03 0.00 -0.00 1.11 4.81 -2.02 -2.31 114.58 116.13 3m1a h GLU 96 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3m1a h GLU 96 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3m1a h GLU 96 CO -0.52 0.41 -0.02 0.39 -0.73 0.00 0.00 179.01 178.54 3m1a n GLU 97 N -4.01 0.57 -2.99 1.92 -0.58 -0.65 -4.76 120.64 110.15 3m1a n GLU 97 Ca -0.02 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.25 3m1a n GLU 97 Cb 0.44 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.76 3m1a n GLU 97 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3m1a s THR 98 N -2.47 4.84 0.69 2.62 2.01 -0.84 -4.59 115.64 117.90 3m1a s THR 98 Ca 0.31 1.15 -0.13 0.00 0.31 0.00 0.00 61.69 63.32 3m1a s THR 98 Cb 0.20 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.63 3m1a s THR 98 CO 0.45 -0.19 1.10 0.42 -0.69 0.00 0.00 174.62 175.70 3m1a s THR 99 N 2.85 3.35 0.40 -0.82 -4.23 -1.26 -4.87 115.64 111.06 3m1a s THR 99 Ca 0.31 0.56 0.06 0.00 -1.18 0.00 0.00 61.69 61.44 3m1a s THR 99 Cb -0.14 -3.08 0.27 0.00 1.34 0.00 0.00 72.50 70.88 3m1a s THR 99 CO 0.12 -0.46 2.05 -0.08 -0.54 0.00 0.00 174.62 175.71 3m1a h GLU 100 N -0.32 0.58 -0.37 3.99 4.81 -1.99 -1.50 114.58 119.78 3m1a h GLU 100 Ca -0.46 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.67 3m1a h GLU 100 Cb 1.24 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3m1a h GLU 100 CO 0.54 0.38 -0.06 0.00 -0.73 0.00 0.00 179.01 179.14 3m1a h ARG 101 N 0.60 0.70 -0.74 1.92 3.08 -1.99 -0.22 114.38 117.73 3m1a h ARG 101 Ca 0.16 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3m1a h ARG 101 Cb -0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3m1a h ARG 101 CO -0.04 0.83 0.31 0.93 -1.07 0.00 0.00 179.97 180.94 3m1a h GLU 102 N 0.50 1.07 0.74 0.04 5.08 -1.78 -0.09 114.58 120.14 3m1a h GLU 102 Ca 0.10 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3m1a h GLU 102 Cb 0.55 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3m1a h GLU 102 CO 0.03 0.86 -0.35 1.25 -1.00 0.00 0.00 179.01 179.79 3m1a h LEU 103 N 1.06 -0.84 -0.82 1.33 5.85 -1.15 -2.83 115.31 117.92 3m1a h LEU 103 Ca 0.25 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.07 3m1a h LEU 103 Cb 0.17 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3m1a h LEU 103 CO -0.03 -0.48 0.47 0.03 -0.34 0.00 0.00 178.44 178.09 3m1a h ARG 104 N -1.20 0.76 -0.68 1.25 3.08 -0.99 -1.75 114.38 114.85 3m1a h ARG 104 Ca -0.10 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.93 3m1a h ARG 104 Cb 0.78 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 3m1a h ARG 104 CO 0.17 0.51 0.42 -0.44 -1.07 0.00 0.00 179.97 179.55 3m1a h ASP 105 N 0.79 0.69 -0.34 7.04 3.32 -1.07 -0.50 116.42 126.35 3m1a h ASP 105 Ca 0.39 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.36 3m1a h ASP 105 Cb 0.35 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3m1a h ASP 105 CO -0.24 0.48 -0.06 0.25 -1.72 0.00 0.00 179.24 177.95 3m1a h LEU 106 N 0.83 0.71 -1.28 1.55 5.85 -1.16 -2.40 115.31 119.41 3m1a h LEU 106 Ca 0.27 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3m1a h LEU 106 Cb 0.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3m1a h LEU 106 CO -0.11 0.82 -0.35 -0.26 -0.34 0.00 0.00 178.44 178.20 3m1a h PHE 107 N 0.68 0.00 -0.13 1.25 0.04 -0.63 -1.70 116.94 116.45 3m1a h PHE 107 Ca 0.13 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 3m1a h PHE 107 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3m1a h PHE 107 CO 0.02 0.35 0.05 0.93 -0.60 0.00 0.00 178.31 179.06 3m1a h GLU 108 N 0.00 0.20 -0.20 1.51 4.39 -0.63 -1.11 114.58 118.74 3m1a h GLU 108 Ca -0.00 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 3m1a h GLU 108 Cb 0.65 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3m1a h GLU 108 CO 0.05 0.31 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.83 3m1a h LEU 109 N 0.04 0.62 0.00 1.33 3.38 -1.25 -1.63 115.31 117.80 3m1a h LEU 109 Ca 0.04 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3m1a h LEU 109 Cb 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3m1a h LEU 109 CO -0.00 1.02 -1.38 1.41 0.09 0.00 0.00 178.44 179.58 3m1a n HIS 110 N -4.33 0.37 0.02 1.13 8.25 -0.66 -4.41 115.22 115.60 3m1a n HIS 110 Ca -0.06 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3m1a n HIS 110 Cb 0.48 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 -2.27 0.32 -0.14 1.59 0.31 -0.54 -4.70 118.33 112.90 3m1a n VAL 111 Ca -0.01 0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.34 3m1a n VAL 111 Cb 0.52 -0.98 -0.01 0.00 -0.91 0.00 0.00 33.84 32.46 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 0.64 0.50 3.52 0.04 -1.35 -0.34 116.94 119.94 3m1a h PHE 112 Ca 0.00 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 3m1a h PHE 112 Cb 0.00 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 3m1a h PHE 112 CO 0.00 0.58 -0.50 0.78 -0.60 0.00 0.00 178.31 178.58 3m1a h GLY 113 N 0.50 -1.23 0.81 -1.45 0.00 -1.43 -1.34 103.07 98.93 3m1a h GLY 113 Ca 0.13 0.58 0.05 0.00 0.00 0.00 0.00 47.33 48.09 3m1a h GLY 113 CO -0.01 -0.37 0.65 -2.55 0.00 0.00 0.00 176.54 174.26 3m1a h PRO 114 N -1.00 1.18 -0.68 4.80 0.11 -1.75 -1.74 132.00 132.93 3m1a h PRO 114 Ca -0.06 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.00 3m1a h PRO 114 Cb 0.87 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 31.67 3m1a h PRO 114 CO -0.06 0.78 0.43 0.00 -0.21 0.00 0.00 178.00 178.94 3m1a h ALA 115 N 1.44 0.88 -0.38 -0.75 0.00 -0.92 -1.05 119.26 118.48 3m1a h ALA 115 Ca 0.42 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 3m1a h ALA 115 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3m1a h ALA 115 CO -0.15 0.22 -0.27 -0.09 0.00 0.00 0.00 179.25 178.96 3m1a h ARG 116 N 0.86 0.85 -0.58 0.00 2.43 -0.71 -1.81 114.38 115.43 3m1a h ARG 116 Ca 0.27 -0.41 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3m1a h ARG 116 Cb -0.02 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3m1a h ARG 116 CO -0.09 1.05 0.30 1.25 -1.51 0.00 0.00 179.97 180.97 3m1a h LEU 117 N 0.65 0.73 -0.24 3.80 6.46 -1.14 -2.33 115.31 123.25 3m1a h LEU 117 Ca 0.07 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 3m1a h LEU 117 Cb 0.84 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 3m1a h LEU 117 CO 0.07 0.63 0.05 0.74 -0.62 0.00 0.00 178.44 179.32 3m1a h THR 118 N 0.78 1.22 -0.98 1.05 2.02 -1.05 -2.23 112.91 113.71 3m1a h THR 118 Ca 0.20 -0.71 0.07 0.00 0.77 0.00 0.00 66.41 66.74 3m1a h THR 118 Cb 0.08 1.24 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 3m1a h THR 118 CO -0.03 0.23 0.63 0.03 0.37 0.00 0.00 175.52 176.75 3m1a h ARG 119 N 0.20 1.11 -0.29 6.66 3.08 -1.24 -0.40 114.38 123.51 3m1a h ARG 119 Ca 0.07 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3m1a h ARG 119 Cb 0.29 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3m1a h ARG 119 CO 0.00 0.74 -0.20 0.00 -1.07 0.00 0.00 179.97 179.44 3m1a h ALA 120 N 1.45 1.12 -0.01 0.04 0.00 -1.05 -3.13 119.26 117.67 3m1a h ALA 120 Ca 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m1a h ALA 120 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3m1a h ALA 120 CO -0.17 0.55 -0.53 1.28 0.00 0.00 0.00 179.25 180.37 3m1a n LEU 121 N -4.15 1.47 -0.09 0.00 4.77 -0.87 -4.41 117.00 113.71 3m1a n LEU 121 Ca 0.00 -0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 55.33 3m1a n LEU 121 Cb 0.38 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3m1a n LEU 121 CO 0.42 0.29 0.62 0.25 -1.33 0.00 0.00 177.39 177.63 3m1a h LEU 122 N 1.47 0.67 -0.65 2.23 5.85 -1.02 -3.30 115.31 120.56 3m1a h LEU 122 Ca 0.00 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.39 3m1a h LEU 122 Cb 0.63 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 3m1a h LEU 122 CO 0.00 0.97 0.22 -0.65 -0.34 0.00 0.00 178.44 178.65 3m1a h PRO 123 N 0.38 0.37 -1.64 5.25 0.11 -1.77 -0.94 132.00 133.76 3m1a h PRO 123 Ca 0.05 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3m1a h PRO 123 Cb 0.75 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3m1a h PRO 123 CO 0.06 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 3m1a n GLN 124 N -5.03 0.34 0.00 1.05 -0.00 -1.24 -1.04 117.38 111.46 3m1a n GLN 124 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 3m1a n GLN 124 Cb 0.33 -1.33 0.00 0.00 -0.00 0.00 0.00 30.24 29.24 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 0.82 0.00 -0.01 2.61 0.63 -0.36 -1.74 116.66 118.61 3m1a n ARG 126 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 3m1a n ARG 126 Cb 0.17 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.09 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 0.64 -0.00 -0.14 5.08 -1.34 -3.15 114.58 115.66 3m1a h GLU 127 Ca 0.00 -0.44 -0.16 0.00 -1.00 0.00 0.00 59.36 57.76 3m1a h GLU 127 Cb 0.00 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3m1a h GLU 127 CO 0.00 1.06 -0.74 -0.09 -1.00 0.00 0.00 179.01 178.25 3m1a h ARG 128 N 0.48 0.02 0.00 2.33 2.43 -1.60 -3.47 114.38 114.57 3m1a h ARG 128 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3m1a h ARG 128 Cb 1.19 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3m1a h ARG 128 CO 0.12 0.75 0.00 0.41 -1.51 0.00 0.00 179.97 179.74 3m1a n GLY 129 N 0.58 0.48 3.35 2.80 0.00 -1.19 -5.05 105.19 106.16 3m1a n GLY 129 Ca -0.01 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.83 -0.35 0.00 1.61 1.04 -1.25 -4.43 113.70 107.49 3m1a s SER 130 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 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 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 3m1a n GLY 131 N 0.13 3.60 3.04 7.32 0.00 -1.26 -4.61 105.19 113.41 3m1a n GLY 131 Ca -0.17 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 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 1.32 -0.23 1.61 0.01 0.45 -0.19 113.70 116.67 3m1a s SER 132 Ca 0.00 -0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.02 3m1a s SER 132 Cb 0.00 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.97 3m1a s SER 132 CO 0.00 0.10 -0.05 -0.69 0.41 0.00 0.00 173.24 173.01 3m1a s VAL 133 N -0.01 3.15 -0.30 3.43 1.01 0.87 -0.87 120.40 127.68 3m1a s VAL 133 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3m1a s VAL 133 Cb -0.07 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.86 3m1a s VAL 133 CO 0.00 0.33 -0.01 -0.69 0.00 0.00 0.00 175.10 174.74 3m1a s VAL 134 N 1.42 2.95 -0.35 2.92 1.01 0.75 -0.86 120.40 128.24 3m1a s VAL 134 Ca 0.04 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.52 3m1a s VAL 134 Cb -0.15 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3m1a s VAL 134 CO -0.04 -0.09 0.21 0.20 0.00 0.00 0.00 175.10 175.38 3m1a s ASN 135 N 1.25 5.82 -0.52 3.32 0.02 -0.09 -1.35 114.94 123.39 3m1a s ASN 135 Ca -0.05 -0.71 -0.28 0.00 -1.02 0.00 0.00 52.86 50.80 3m1a s ASN 135 Cb -0.20 -2.07 0.02 0.00 0.02 0.00 0.00 41.25 39.02 3m1a s ASN 135 CO -0.01 -0.30 1.35 -0.63 0.02 0.00 0.00 177.10 177.52 3m1a s ILE 136 N 1.63 3.90 0.00 0.60 -1.09 -0.43 -1.40 121.20 124.41 3m1a s ILE 136 Ca 0.04 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 3m1a s ILE 136 Cb -0.18 -4.45 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 3m1a s ILE 136 CO 0.08 -1.08 0.00 -0.24 -1.23 0.00 0.00 174.94 172.47 3m1a n SER 137 N 9.02 0.00 -3.63 3.58 2.88 0.18 -4.87 113.62 120.78 3m1a n SER 137 Ca 0.13 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.62 3m1a n SER 137 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 3m1a n SER 137 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3m1a s SER 138 N -0.42 -0.22 0.53 -3.46 0.15 -1.22 -4.42 113.70 104.64 3m1a s SER 138 Ca 0.00 -0.19 0.33 0.00 0.70 0.00 0.00 55.95 56.79 3m1a s SER 138 Cb 0.00 0.37 1.49 0.00 -1.71 0.00 0.00 66.02 66.17 3m1a s SER 138 CO 0.00 -0.65 1.85 2.19 1.20 0.00 0.00 173.24 177.82 3m1a h PHE 139 N 2.00 0.05 0.00 3.44 -5.15 -1.73 0.20 116.94 115.75 3m1a h PHE 139 Ca -0.23 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.54 3m1a h PHE 139 Cb 1.22 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.38 3m1a h PHE 139 CO 0.32 0.01 0.00 0.41 -2.00 0.00 0.00 178.31 177.05 3m1a n GLY 140 N -1.72 -0.94 0.02 6.09 0.00 -1.26 -1.93 105.19 105.44 3m1a n GLY 140 Ca 0.22 0.16 0.06 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.98 -0.87 0.00 -0.02 0.00 0.06 -3.41 105.19 99.96 3m1a n GLY 141 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.59 4.50 -3.56 1.61 6.02 -0.81 -3.86 117.38 119.69 3m1a n GLN 142 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 3m1a n GLN 142 Cb 0.12 -0.36 -0.04 0.00 1.02 0.00 0.00 30.24 30.98 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 -1.36 -0.01 0.28 1.08 0.05 -1.22 -5.04 118.68 112.46 3m1a s LEU 143 Ca 0.00 -0.05 -0.06 0.00 0.05 0.00 0.00 54.13 54.07 3m1a s LEU 143 Cb 0.00 2.13 -0.01 0.00 -2.05 0.00 0.00 46.19 46.26 3m1a s LEU 143 CO 0.00 -0.83 0.41 -0.55 -0.55 0.00 0.00 176.35 174.84 3m1a s SER 144 N -2.46 0.39 0.18 1.48 0.15 -1.26 -4.34 113.70 107.85 3m1a s SER 144 Ca -0.01 -1.26 -0.24 0.00 0.70 0.00 0.00 55.95 55.15 3m1a s SER 144 Cb 0.00 0.58 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 3m1a s SER 144 CO -0.08 -1.16 0.96 0.72 1.20 0.00 0.00 173.24 174.88 3m1a s PHE 145 N -3.62 -0.07 0.08 3.44 -0.71 -1.26 -5.07 117.98 110.76 3m1a s PHE 145 Ca 0.29 -0.28 -0.36 0.00 -1.04 0.00 0.00 56.93 55.53 3m1a s PHE 145 Cb 0.01 0.67 -0.18 0.00 -1.21 0.00 0.00 43.02 42.31 3m1a s PHE 145 CO 0.14 -0.92 1.13 0.00 -1.34 0.00 0.00 175.22 174.24 3m1a n ALA 146 N -0.52 -2.09 -0.18 1.99 0.00 -1.26 -1.07 120.51 117.38 3m1a n ALA 146 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3m1a n ALA 146 Cb 0.60 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.99 1.87 0.21 0.00 0.00 -1.25 -4.69 105.19 103.32 3m1a n GLY 147 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 0.13 0.01 1.61 -0.00 -0.23 -0.82 117.46 116.16 3m1a n PHE 148 Ca 0.00 -0.40 -0.12 0.00 -0.00 0.00 0.00 57.45 56.94 3m1a n PHE 148 Cb 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 39.48 39.38 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 0.71 0.05 0.15 -2.13 4.64 -1.76 0.14 113.55 115.34 3m1a h SER 149 Ca 0.00 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3m1a h SER 149 Cb 0.49 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3m1a h SER 149 CO 0.00 0.15 -0.07 0.00 -0.87 0.00 0.00 176.83 176.04 3m1a h ALA 150 N 0.90 -0.20 -0.47 5.18 0.00 -1.86 -0.55 119.26 122.27 3m1a h ALA 150 Ca 0.01 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3m1a h ALA 150 Cb 0.11 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 3m1a h ALA 150 CO -0.00 -0.56 0.02 -0.92 0.00 0.00 0.00 179.25 177.78 3m1a h TYR 151 N -0.30 0.01 -0.46 0.00 3.20 -1.79 -1.93 116.97 115.70 3m1a h TYR 151 Ca -0.02 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3m1a h TYR 151 Cb 0.23 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3m1a h TYR 151 CO -0.04 -0.08 0.00 0.77 -1.64 0.00 0.00 178.16 177.17 3m1a h SER 152 N 0.13 0.80 -0.47 -2.11 0.02 -0.78 -2.19 113.55 108.95 3m1a h SER 152 Ca 0.23 -0.31 0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3m1a h SER 152 Cb 0.34 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 3m1a h SER 152 CO -0.37 0.91 0.18 0.00 -1.14 0.00 0.00 176.83 176.41 3m1a h ALA 153 N 0.92 0.57 -0.49 3.77 0.00 -0.82 0.19 119.26 123.40 3m1a h ALA 153 Ca 0.13 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3m1a h ALA 153 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3m1a h ALA 153 CO 0.02 -0.20 0.13 1.79 0.00 0.00 0.00 179.25 180.99 3m1a h THR 154 N 0.37 1.24 -0.11 0.00 1.35 -1.16 -1.72 112.91 112.87 3m1a h THR 154 Ca 0.22 -0.82 -0.16 0.00 -0.55 0.00 0.00 66.41 65.10 3m1a h THR 154 Cb 0.20 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 3m1a h THR 154 CO -0.21 0.29 -0.63 0.11 -0.25 0.00 0.00 175.52 174.84 3m1a h LYS 155 N 0.67 0.40 -0.51 4.72 1.79 -1.09 -1.66 116.57 120.88 3m1a h LYS 155 Ca 0.16 -0.28 -0.11 0.00 -2.18 0.00 0.00 60.65 58.23 3m1a h LYS 155 Cb 0.31 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 3m1a h LYS 155 CO -0.00 0.90 -0.12 0.00 -1.08 0.00 0.00 179.45 179.15 3m1a h ALA 156 N 1.03 0.82 -0.25 3.86 0.00 -0.57 0.52 119.26 124.67 3m1a h ALA 156 Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3m1a h ALA 156 Cb 1.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3m1a h ALA 156 CO 0.11 0.66 0.05 0.00 0.00 0.00 0.00 179.25 180.07 3m1a h ALA 157 N 0.99 0.26 -0.87 0.00 0.00 -1.12 -1.54 119.26 116.97 3m1a h ALA 157 Ca 0.13 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3m1a h ALA 157 Cb 0.67 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3m1a h ALA 157 CO 0.05 -0.36 0.57 1.25 0.00 0.00 0.00 179.25 180.75 3m1a h LEU 158 N 0.15 0.95 -0.69 0.00 5.85 -1.02 -0.87 115.31 119.68 3m1a h LEU 158 Ca 0.11 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3m1a h LEU 158 Cb 0.11 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3m1a h LEU 158 CO -0.14 0.67 0.27 -0.33 -0.34 0.00 0.00 178.44 178.56 3m1a h GLU 159 N 1.12 1.05 0.01 1.25 5.08 -0.63 -2.24 114.58 120.22 3m1a h GLU 159 Ca 0.34 -0.20 -0.20 0.00 -1.00 0.00 0.00 59.36 58.30 3m1a h GLU 159 Cb -0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3m1a h GLU 159 CO -0.10 0.87 -0.91 1.96 -1.00 0.00 0.00 179.01 179.84 3m1a h GLN 160 N 0.99 0.15 -0.40 2.33 1.08 -0.81 0.87 115.11 119.33 3m1a h GLN 160 Ca 0.23 -0.18 0.06 0.00 -1.45 0.00 0.00 58.65 57.31 3m1a h GLN 160 Cb 0.23 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 3m1a h GLN 160 CO -0.02 0.95 0.10 -0.07 -0.95 0.00 0.00 178.83 178.85 3m1a h LEU 161 N 0.08 0.06 -0.37 1.46 4.07 -1.18 -2.16 115.31 117.26 3m1a h LEU 161 Ca -0.04 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3m1a h LEU 161 Cb 1.55 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 43.35 3m1a h LEU 161 CO 0.13 0.07 0.24 0.28 -1.08 0.00 0.00 178.44 178.08 3m1a h SER 162 N 0.24 0.44 -0.21 -0.43 0.02 -1.12 -1.63 113.55 110.87 3m1a h SER 162 Ca 0.19 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3m1a h SER 162 Cb 0.21 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3m1a h SER 162 CO -0.23 0.34 0.00 -0.33 -1.14 0.00 0.00 176.83 175.47 3m1a h GLU 163 N 0.50 0.06 -0.37 3.45 5.08 -0.67 0.55 114.58 123.18 3m1a h GLU 163 Ca 0.14 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3m1a h GLU 163 Cb -0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3m1a h GLU 163 CO -0.03 0.04 0.09 0.78 -1.00 0.00 0.00 179.01 178.89 3m1a h GLY 164 N 0.07 0.65 0.89 -3.84 0.00 -1.28 -2.93 103.07 96.63 3m1a h GLY 164 Ca 0.10 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.03 3m1a h GLY 164 CO -0.16 0.38 0.18 -2.00 0.00 0.00 0.00 176.54 174.93 3m1a h LEU 165 N 0.46 0.27 -0.50 3.11 5.85 -1.21 -2.31 115.31 120.98 3m1a h LEU 165 Ca 0.12 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3m1a h LEU 165 Cb 0.32 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 3m1a h LEU 165 CO 0.00 0.20 -0.00 0.00 -0.34 0.00 0.00 178.44 178.30 3m1a h ALA 166 N 1.16 0.47 -0.68 1.25 0.00 -0.76 0.27 119.26 120.96 3m1a h ALA 166 Ca 0.13 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3m1a h ALA 166 Cb 0.03 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3m1a h ALA 166 CO -0.08 -0.39 0.24 0.22 0.00 0.00 0.00 179.25 179.25 3m1a h ASP 167 N 0.11 0.97 -0.70 0.00 3.58 -1.44 -2.30 116.42 116.65 3m1a h ASP 167 Ca 0.25 -0.19 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 3m1a h ASP 167 Cb 0.38 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 3m1a h ASP 167 CO -0.42 0.90 0.19 -0.33 -2.88 0.00 0.00 179.24 176.69 3m1a h GLU 168 N 0.98 1.10 -0.01 0.28 5.08 -0.52 -3.32 114.58 118.18 3m1a h GLU 168 Ca 0.22 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3m1a h GLU 168 Cb 0.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3m1a h GLU 168 CO -0.01 0.97 -0.60 1.33 -1.00 0.00 0.00 179.01 179.70 3m1a n VAL 169 N -4.27 0.00 -0.28 3.13 0.24 -0.08 -4.35 118.33 112.71 3m1a n VAL 169 Ca 0.05 -0.20 0.09 0.00 -2.04 0.00 0.00 64.34 62.24 3m1a n VAL 169 Cb 0.25 1.14 0.22 0.00 -1.47 0.00 0.00 33.84 33.97 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 3.12 1.00 0.00 2.33 0.00 -1.51 0.24 119.26 124.44 3m1a h ALA 170 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3m1a h ALA 170 Cb 0.58 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3m1a h ALA 170 CO 0.00 -0.45 0.00 -1.35 0.00 0.00 0.00 179.25 177.45 3m1a h PRO 171 N 0.13 0.00 -0.01 0.00 0.11 -1.81 -1.21 132.00 129.21 3m1a h PRO 171 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3m1a h PRO 171 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3m1a h PRO 171 CO -0.69 0.00 -0.04 1.19 -0.21 0.00 0.00 178.00 178.25 3m1a n PHE 172 N -2.35 0.00 -1.01 0.65 0.99 0.83 -4.92 117.46 111.66 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 0.13 -0.02 -0.00 0.00 -1.00 0.00 0.00 39.48 38.59 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 1.20 0.47 3.72 1.37 0.00 -0.46 -3.88 105.19 107.62 3m1a n GLY 173 Ca 0.18 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.97 5.05 -0.06 -0.61 1.01 -1.14 -4.25 121.20 119.23 3m1a s ILE 174 Ca 0.00 1.35 -0.18 0.00 0.00 0.00 0.00 60.65 61.82 3m1a s ILE 174 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3m1a s ILE 174 CO 0.00 0.29 0.48 -0.54 0.00 0.00 0.00 174.94 175.17 3m1a s LYS 175 N 0.64 4.22 -0.14 2.79 1.02 0.73 -4.14 119.74 124.86 3m1a s LYS 175 Ca 0.35 0.50 0.01 0.00 0.02 0.00 0.00 55.97 56.85 3m1a s LYS 175 Cb -0.17 -3.35 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 3m1a s LYS 175 CO 0.17 0.36 -0.16 0.08 -0.92 0.00 0.00 175.35 174.87 3m1a s VAL 176 N -0.05 1.69 -0.11 3.17 1.01 -1.26 -0.09 120.40 124.75 3m1a s VAL 176 Ca 0.26 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3m1a s VAL 176 Cb -0.16 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.69 3m1a s VAL 176 CO 0.13 0.48 -0.11 -0.22 0.00 0.00 0.00 175.10 175.37 3m1a s LEU 177 N 1.23 1.48 -0.24 3.92 2.96 -0.04 -4.60 118.68 123.40 3m1a s LEU 177 Ca 0.00 -0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 53.39 3m1a s LEU 177 Cb -0.14 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 3m1a s LEU 177 CO -0.07 -0.05 0.38 -0.63 -1.32 0.00 0.00 176.35 174.65 3m1a s ILE 178 N 1.34 5.19 -0.15 6.68 1.01 0.14 -0.91 121.20 134.49 3m1a s ILE 178 Ca -0.01 0.61 -0.05 0.00 0.00 0.00 0.00 60.65 61.20 3m1a s ILE 178 Cb -0.14 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3m1a s ILE 178 CO -0.05 0.20 0.03 -0.69 0.00 0.00 0.00 174.94 174.42 3m1a s VAL 179 N 1.74 4.52 -0.60 2.92 1.01 -0.49 -0.57 120.40 128.93 3m1a s VAL 179 Ca 0.16 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.05 3m1a s VAL 179 Cb -0.15 -2.98 0.21 0.00 0.00 0.00 0.00 36.38 33.45 3m1a s VAL 179 CO 0.09 0.52 0.56 -0.62 0.00 0.00 0.00 175.10 175.64 3m1a n GLU 180 N 3.04 1.65 -2.38 2.72 1.02 0.39 0.52 120.64 127.60 3m1a n GLU 180 Ca -0.18 -4.18 -0.32 0.00 -0.02 0.00 0.00 57.16 52.47 3m1a n GLU 180 Cb 0.53 -2.04 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.52 3.87 0.00 3.49 0.04 -1.26 -1.15 135.00 138.47 3m1a s PRO 181 Ca 0.32 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3m1a s PRO 181 Cb 0.06 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3m1a s PRO 181 CO -0.12 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.00 3m1a n GLY 182 N -1.37 1.21 3.84 0.56 0.00 -0.33 -3.41 105.19 105.69 3m1a n GLY 182 Ca 0.07 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.70 3.69 0.19 4.61 0.00 -1.26 -5.03 121.76 120.26 3m1a s ALA 183 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.82 3m1a s ALA 183 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 3m1a s ALA 183 CO 0.00 0.49 0.01 -0.06 0.00 0.00 0.00 175.76 176.19 3m1a s PHE 184 N -1.17 2.83 0.36 0.00 0.08 -1.26 -2.05 117.98 116.77 3m1a s PHE 184 Ca 0.27 -0.15 -0.28 0.00 0.12 0.00 0.00 56.93 56.89 3m1a s PHE 184 Cb -0.16 -1.35 -0.10 0.00 -0.57 0.00 0.00 43.02 40.83 3m1a s PHE 184 CO 0.15 0.53 1.37 -0.98 -0.10 0.00 0.00 175.22 176.19 3m1a s ARG 185 N -3.08 4.20 -0.05 0.44 1.70 0.75 -2.75 118.95 120.16 3m1a s ARG 185 Ca 0.28 2.33 0.08 0.00 -0.47 0.00 0.00 55.73 57.95 3m1a s ARG 185 Cb -0.09 -2.98 0.12 0.00 -0.57 0.00 0.00 34.95 31.43 3m1a s ARG 185 CO 0.19 -0.36 1.00 0.25 -1.08 0.00 0.00 175.30 175.30 3m1a n THR 186 N 0.57 0.92 0.21 4.99 -2.24 -1.26 -4.63 114.28 112.84 3m1a n THR 186 Ca 0.01 -1.08 0.08 0.00 -2.27 0.00 0.00 64.05 60.80 3m1a n THR 186 Cb 0.41 0.27 0.41 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.00 3.42 -1.07 -1.92 -2.10 115.58 113.91 3m1a h ASN 187 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.02 3m1a h ASN 187 Cb 1.04 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.24 3m1a h ASN 187 CO 0.00 0.27 -1.90 0.18 0.07 0.00 0.00 177.43 176.06 3m1a n LEU 188 N -3.43 1.96 -0.57 6.14 4.32 -1.26 -4.65 117.00 119.51 3m1a n LEU 188 Ca 0.00 0.36 0.12 0.00 -0.02 0.00 0.00 56.01 56.47 3m1a n LEU 188 Cb 0.46 -0.90 0.12 0.00 -1.62 0.00 0.00 43.42 41.48 3m1a n LEU 188 CO 0.35 0.45 0.48 0.49 -1.22 0.00 0.00 177.39 177.94 3m1a n PHE 189 N -4.29 0.00 0.00 -1.77 3.72 -1.26 -5.06 117.46 108.80 3m1a n PHE 189 Ca -0.43 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 3m1a n PHE 189 Cb 0.79 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.37 -1.74 3.78 1.37 0.00 -0.79 -1.42 105.19 107.76 3m1a n GLY 190 Ca 0.12 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 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 -4.46 4.41 1.03 1.61 3.01 -1.25 -2.28 119.74 121.80 3m1a s LYS 191 Ca 0.00 0.94 -0.16 0.00 -1.01 0.00 0.00 55.97 55.74 3m1a s LYS 191 Cb 0.00 -3.29 0.21 0.00 -1.01 0.00 0.00 37.83 33.74 3m1a s LYS 191 CO 0.00 0.49 1.20 0.20 0.51 0.00 0.00 175.35 177.75 3m1a s GLY 192 N -0.71 1.66 0.48 -3.33 0.00 -1.26 -4.87 107.32 99.29 3m1a s GLY 192 Ca 0.34 -0.95 -0.21 0.00 0.00 0.00 0.00 44.72 43.89 3m1a s GLY 192 CO 0.22 -0.19 1.09 0.00 0.00 0.00 0.00 173.10 174.22 3m1a s ALA 193 N -3.44 2.88 -0.04 3.20 0.00 -1.26 -4.95 121.76 118.15 3m1a s ALA 193 Ca 0.70 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 3m1a s ALA 193 Cb -0.08 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.76 3m1a s ALA 193 CO 0.54 -0.50 0.09 0.00 0.00 0.00 0.00 175.76 175.89 3m1a s ALA 194 N -1.77 -0.08 -0.11 0.00 0.00 -1.26 -1.88 121.76 116.65 3m1a s ALA 194 Ca 0.66 0.49 0.01 0.00 0.00 0.00 0.00 51.96 53.12 3m1a s ALA 194 Cb -0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3m1a s ALA 194 CO 0.26 -0.13 -0.13 -0.47 0.00 0.00 0.00 175.76 175.29 3m1a s TYR 195 N 1.13 2.79 -0.14 0.00 5.04 -0.20 -4.98 117.35 120.98 3m1a s TYR 195 Ca -0.09 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 3m1a s TYR 195 Cb -0.12 -1.80 0.03 0.00 0.35 0.00 0.00 41.96 40.41 3m1a s TYR 195 CO -0.04 -0.13 -0.12 -0.06 -1.34 0.00 0.00 175.55 173.86 3m1a s PHE 196 N 0.13 1.98 0.96 4.97 0.08 -1.26 -1.74 117.98 123.10 3m1a s PHE 196 Ca -0.07 -1.11 -0.10 0.00 0.12 0.00 0.00 56.93 55.77 3m1a s PHE 196 Cb -0.15 -1.49 0.17 0.00 -0.57 0.00 0.00 43.02 40.99 3m1a s PHE 196 CO 0.05 -0.63 1.13 -1.12 -0.10 0.00 0.00 175.22 174.55 3m1a s SER 197 N 1.55 2.56 0.25 1.36 0.01 -0.32 -4.95 113.70 114.16 3m1a s SER 197 Ca 0.04 2.11 -0.30 0.00 1.31 0.00 0.00 55.95 59.11 3m1a s SER 197 Cb -0.13 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.42 3m1a s SER 197 CO -0.10 -3.32 1.15 1.21 0.41 0.00 0.00 173.24 172.60 3m1a n GLU 198 N -4.37 1.48 -3.61 12.44 2.13 -1.26 -4.91 120.64 122.54 3m1a n GLU 198 Ca 0.11 0.52 -0.37 0.00 0.66 0.00 0.00 57.16 58.08 3m1a n GLU 198 Cb 0.52 -2.00 -0.07 0.00 0.27 0.00 0.00 31.44 30.16 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 -0.99 4.06 -0.16 5.31 2.02 -1.26 -4.81 118.70 122.86 3m1a s GLU 199 Ca 0.65 0.08 -0.05 0.00 0.02 0.00 0.00 54.97 55.66 3m1a s GLU 199 Cb -0.73 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.11 3m1a s GLU 199 CO 0.56 0.40 -0.00 1.21 0.02 0.00 0.00 175.26 177.45 3m1a s ASN 200 N -0.03 5.08 0.27 -0.19 3.84 -1.26 -5.03 114.94 117.63 3m1a s ASN 200 Ca 0.16 -0.05 -0.04 0.00 0.21 0.00 0.00 52.86 53.14 3m1a s ASN 200 Cb -0.13 -1.83 0.56 0.00 -0.55 0.00 0.00 41.25 39.30 3m1a s ASN 200 CO 0.05 0.18 1.60 -0.65 -2.79 0.00 0.00 177.10 175.49 3m1a h PRO 201 N 6.63 0.05 -0.13 0.43 0.11 -1.99 0.09 132.00 137.18 3m1a h PRO 201 Ca -0.34 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.81 3m1a h PRO 201 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3m1a h PRO 201 CO 0.65 0.03 0.26 0.00 -0.21 0.00 0.00 178.00 178.73 3m1a h ALA 202 N 1.86 1.58 0.00 -0.75 0.00 -2.05 -1.95 119.26 117.95 3m1a h ALA 202 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3m1a h ALA 202 Cb 0.91 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3m1a h ALA 202 CO -0.82 -0.33 -0.62 0.66 0.00 0.00 0.00 179.25 178.14 3m1a n TYR 203 N -3.38 0.00 -0.32 0.00 4.01 -0.07 -4.76 117.16 112.65 3m1a n TYR 203 Ca 0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.76 3m1a n TYR 203 Cb 0.36 -0.02 0.15 0.00 -0.31 0.00 0.00 39.34 39.52 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 1.61 1.21 -0.72 -0.72 0.00 -0.50 -0.28 119.26 119.86 3m1a h ALA 204 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.04 3m1a h ALA 204 Cb 0.29 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3m1a h ALA 204 CO 0.00 0.27 0.48 1.05 0.00 0.00 0.00 179.25 181.05 3m1a h GLU 205 N 0.97 0.40 0.06 0.00 4.11 -1.86 0.26 114.58 118.52 3m1a h GLU 205 Ca 0.39 -0.02 -0.35 0.00 0.07 0.00 0.00 59.36 59.44 3m1a h GLU 205 Cb 0.20 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3m1a h GLU 205 CO -0.18 0.27 -1.99 1.63 0.07 0.00 0.00 179.01 178.80 3m1a n LYS 206 N -4.47 0.68 0.06 1.06 4.76 -0.25 -4.36 118.16 115.63 3m1a n LYS 206 Ca 0.13 0.31 -0.11 0.00 -2.87 0.00 0.00 58.31 55.78 3m1a n LYS 206 Cb 0.49 -1.66 -0.13 0.00 -1.84 0.00 0.00 35.03 31.90 3m1a n LYS 206 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3m1a h VAL 207 N -0.30 1.47 -0.07 -0.18 2.07 -1.15 -3.38 116.25 114.70 3m1a h VAL 207 Ca -0.47 -3.15 0.01 0.00 0.82 0.00 0.00 66.70 63.91 3m1a h VAL 207 Cb 1.80 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 34.36 3m1a h VAL 207 CO -0.07 0.87 -0.04 0.61 0.02 0.00 0.00 177.57 178.96 3m1a n GLY 208 N 1.47 -2.09 0.42 2.17 0.00 0.90 -1.07 105.19 106.99 3m1a n GLY 208 Ca -0.07 0.44 0.24 0.00 0.00 0.00 0.00 46.02 46.64 3m1a n GLY 208 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3m1a h PRO 209 N 0.00 0.00 -0.06 1.61 0.11 -1.79 -2.00 132.00 129.88 3m1a h PRO 209 Ca 0.01 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.95 3m1a h PRO 209 Cb 0.03 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.15 3m1a h PRO 209 CO -0.07 0.00 -0.65 1.15 -0.21 0.00 0.00 178.00 178.23 3m1a h THR 210 N 0.00 1.36 -0.51 -1.15 2.02 -1.30 -0.75 112.91 112.58 3m1a h THR 210 Ca 0.33 -1.99 0.09 0.00 0.77 0.00 0.00 66.41 65.62 3m1a h THR 210 Cb 1.35 2.34 -0.07 0.00 -1.74 0.00 0.00 68.15 70.02 3m1a h THR 210 CO -0.00 0.60 0.08 -0.09 0.37 0.00 0.00 175.52 176.48 3m1a h ARG 211 N 0.13 0.21 -0.41 6.66 2.43 -0.63 -1.72 114.38 121.04 3m1a h ARG 211 Ca -0.06 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 3m1a h ARG 211 Cb 1.31 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 3m1a h ARG 211 CO 0.13 0.14 -0.03 0.37 -1.51 0.00 0.00 179.97 179.06 3m1a h GLN 212 N 0.21 0.68 0.15 0.20 5.75 -1.36 0.01 115.11 120.75 3m1a h GLN 212 Ca 0.26 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3m1a h GLN 212 Cb 0.37 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3m1a h GLN 212 CO -0.36 0.72 -0.19 1.25 -2.65 0.00 0.00 178.83 177.60 3m1a h LEU 213 N 0.64 -0.52 -0.34 -2.39 6.46 -0.60 -3.25 115.31 115.31 3m1a h LEU 213 Ca 0.12 0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 57.82 3m1a h LEU 213 Cb 0.45 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 3m1a h LEU 213 CO 0.02 -0.28 -0.28 0.58 -0.62 0.00 0.00 178.44 177.87 3m1a h VAL 214 N -0.39 1.29 0.00 1.05 2.07 -1.01 -3.51 116.25 115.76 3m1a h VAL 214 Ca 0.01 -1.44 -0.40 0.00 0.82 0.00 0.00 66.70 65.69 3m1a h VAL 214 Cb 0.39 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3m1a h VAL 214 CO -0.08 0.47 2.07 0.00 0.02 0.00 0.00 177.57 180.05 3m1a n GLN 215 N -4.22 2.51 0.00 1.57 6.02 -0.04 -5.11 117.38 118.10 3m1a n GLN 215 Ca -0.03 -1.50 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 3m1a n GLN 215 Cb 0.47 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.35 3m1a n GLN 215 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3m1a n GLN 221 N 3.41 0.00 0.02 -1.09 6.02 -1.11 -4.87 117.38 119.76 3m1a n GLN 221 Ca 0.54 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.47 3m1a n GLN 221 Cb 0.38 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.53 3m1a n GLN 221 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3m1a h PRO 222 N 0.00 0.00 -6.84 -1.09 0.14 -1.88 -3.37 132.00 118.96 3m1a h PRO 222 Ca 0.00 0.00 -0.52 0.00 0.14 0.00 0.00 66.00 65.62 3m1a h PRO 222 Cb 0.00 0.00 0.05 0.00 0.14 0.00 0.00 31.00 31.19 3m1a h PRO 222 CO 0.00 0.57 0.60 0.20 0.14 0.00 0.00 178.00 179.51 3m1a s GLY 223 N -4.90 2.95 -0.37 1.56 0.00 -0.87 -4.81 107.32 100.88 3m1a s GLY 223 Ca -0.02 1.16 -0.11 0.00 0.00 0.00 0.00 44.72 45.74 3m1a s GLY 223 CO 0.81 1.83 0.21 -0.35 0.00 0.00 0.00 173.10 175.60 3m1a s ASP 224 N -0.48 5.73 0.49 1.64 3.68 -1.26 -0.18 116.67 126.29 3m1a s ASP 224 Ca 0.49 -0.93 0.15 0.00 2.13 0.00 0.00 52.55 54.39 3m1a s ASP 224 Cb -0.38 -2.03 1.15 0.00 -1.45 0.00 0.00 42.92 40.22 3m1a s ASP 224 CO 0.48 -0.36 2.09 -0.65 0.13 0.00 0.00 175.17 176.86 3m1a h PRO 225 N 8.44 0.04 -0.35 4.34 0.11 -1.95 -1.28 132.00 141.35 3m1a h PRO 225 Ca -0.26 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.68 3m1a h PRO 225 Cb 1.11 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m1a h PRO 225 CO 0.66 0.08 -0.43 0.00 -0.21 0.00 0.00 178.00 178.11 3m1a h ALA 226 N 1.92 0.57 -0.50 -0.75 0.00 -1.94 -0.96 119.26 117.60 3m1a h ALA 226 Ca 0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3m1a h ALA 226 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3m1a h ALA 226 CO 0.01 0.68 -0.01 0.87 0.00 0.00 0.00 179.25 180.79 3m1a h LYS 227 N 0.71 0.86 -0.38 0.00 1.57 -1.78 -2.41 116.57 115.13 3m1a h LYS 227 Ca 0.05 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3m1a h LYS 227 Cb 1.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 3m1a h LYS 227 CO 0.10 0.87 0.20 0.00 -0.57 0.00 0.00 179.45 180.04 3m1a h ALA 228 N 1.19 0.49 -0.58 3.86 0.00 -1.08 -1.36 119.26 121.78 3m1a h ALA 228 Ca 0.15 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3m1a h ALA 228 Cb 0.50 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3m1a h ALA 228 CO 0.02 0.04 0.31 0.00 0.00 0.00 0.00 179.25 179.62 3m1a h ALA 229 N 1.05 0.76 -0.45 0.00 0.00 -1.10 -1.15 119.26 118.38 3m1a h ALA 229 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3m1a h ALA 229 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3m1a h ALA 229 CO -0.02 -0.03 0.14 0.00 0.00 0.00 0.00 179.25 179.34 3m1a h ALA 230 N 1.31 1.41 -0.30 0.00 0.00 -1.21 -2.55 119.26 117.92 3m1a h ALA 230 Ca 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3m1a h ALA 230 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3m1a h ALA 230 CO -0.18 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.51 3m1a h ALA 231 N 1.51 0.41 -0.43 0.00 0.00 -0.66 -2.30 119.26 117.80 3m1a h ALA 231 Ca 0.15 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3m1a h ALA 231 Cb 0.19 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 3m1a h ALA 231 CO -0.01 0.16 -0.12 0.82 0.00 0.00 0.00 179.25 180.10 3m1a h ILE 232 N 0.33 0.55 -0.30 0.00 2.04 -0.84 -1.35 117.51 117.94 3m1a h ILE 232 Ca 0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 3m1a h ILE 232 Cb 0.45 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3m1a h ILE 232 CO 0.02 0.00 -0.13 0.03 0.00 0.00 0.00 178.15 178.06 3m1a h ARG 233 N -0.02 0.51 0.29 2.37 3.08 -1.36 -1.17 114.38 118.08 3m1a h ARG 233 Ca 0.21 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3m1a h ARG 233 Cb 0.33 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3m1a h ARG 233 CO -0.45 0.64 -0.14 1.25 -1.07 0.00 0.00 179.97 180.20 3m1a h LEU 234 N 0.47 -0.33 -0.91 3.04 6.46 -0.91 -0.70 115.31 122.43 3m1a h LEU 234 Ca 0.08 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.95 3m1a h LEU 234 Cb 0.51 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.45 3m1a h LEU 234 CO 0.03 -0.21 0.55 0.00 -0.62 0.00 0.00 178.44 178.18 3m1a h ALA 235 N 0.29 1.35 -0.22 1.25 0.00 -0.94 -1.94 119.26 119.04 3m1a h ALA 235 Ca -0.04 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3m1a h ALA 235 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3m1a h ALA 235 CO 0.07 0.15 -0.25 -0.07 0.00 0.00 0.00 179.25 179.14 3m1a h LEU 236 N 0.88 0.42 0.00 0.00 3.38 -0.99 -3.13 115.31 115.86 3m1a h LEU 236 Ca 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3m1a h LEU 236 Cb 0.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3m1a h LEU 236 CO -0.27 0.67 0.00 -0.67 0.09 0.00 0.00 178.44 178.26 3m1a n ASP 237 N -4.13 0.00 -4.76 -0.43 2.03 -0.29 -4.76 116.55 104.22 3m1a n ASP 237 Ca -0.00 0.12 -0.40 0.00 0.52 0.00 0.00 54.79 55.03 3m1a n ASP 237 Cb 0.39 -0.36 -0.05 0.00 -0.72 0.00 0.00 41.12 40.37 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 -2.73 4.52 0.17 5.18 2.01 -1.11 -4.99 115.64 118.68 3m1a s THR 238 Ca 0.21 1.72 -0.15 0.00 0.31 0.00 0.00 61.69 63.78 3m1a s THR 238 Cb 0.18 -4.15 0.05 0.00 0.01 0.00 0.00 72.50 68.58 3m1a s THR 238 CO 0.44 0.44 1.82 -0.08 -0.69 0.00 0.00 174.62 176.56 3m1a h GLU 239 N 4.98 0.61 -4.05 4.92 4.22 -1.89 -3.19 114.58 120.17 3m1a h GLU 239 Ca -0.45 -0.04 -0.77 0.00 0.08 0.00 0.00 59.36 58.18 3m1a h GLU 239 Cb 1.21 -0.14 -0.24 0.00 0.50 0.00 0.00 28.75 30.08 3m1a h GLU 239 CO 0.69 0.40 0.16 0.15 -2.18 0.00 0.00 179.01 178.23 3m1a s LYS 240 N -6.15 3.52 0.20 1.92 -0.14 -1.26 -5.06 119.74 112.77 3m1a s LYS 240 Ca -0.13 -2.25 -0.31 0.00 -1.36 0.00 0.00 55.97 51.92 3m1a s LYS 240 Cb 0.12 -4.47 -0.10 0.00 -1.68 0.00 0.00 37.83 31.70 3m1a s LYS 240 CO 0.73 -1.37 1.47 0.99 -0.76 0.00 0.00 175.35 176.42 3m1a s THR 241 N 0.74 2.76 0.55 2.17 2.01 -1.21 -4.96 115.64 117.70 3m1a s THR 241 Ca 0.18 0.59 -0.21 0.00 0.31 0.00 0.00 61.69 62.56 3m1a s THR 241 Cb -0.12 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 3m1a s THR 241 CO -0.07 0.07 1.26 -2.16 -0.69 0.00 0.00 174.62 173.03 3m1a s PRO 242 N 0.40 3.18 0.24 4.92 0.04 -1.26 -4.91 135.00 137.61 3m1a s PRO 242 Ca 0.64 1.99 -0.04 0.00 0.04 0.00 0.00 61.00 63.63 3m1a s PRO 242 Cb -0.42 -2.16 0.26 0.00 0.04 0.00 0.00 34.50 32.23 3m1a s PRO 242 CO 0.37 -1.08 1.72 1.25 0.04 0.00 0.00 177.00 179.29 3m1a h LEU 243 N 1.34 0.82 -8.54 -3.56 5.85 -1.93 -3.43 115.31 105.86 3m1a h LEU 243 Ca -0.50 -0.22 -0.53 0.00 0.84 0.00 0.00 57.88 57.47 3m1a h LEU 243 Cb 1.29 -0.22 -0.24 0.00 0.37 0.00 0.00 40.66 41.87 3m1a h LEU 243 CO 0.57 0.90 -0.82 -0.13 -0.34 0.00 0.00 178.44 178.62 3m1a s ARG 244 N -4.94 1.14 -0.31 1.25 0.52 -1.26 -0.69 118.95 114.67 3m1a s ARG 244 Ca -0.10 -0.99 -0.02 0.00 -0.52 0.00 0.00 55.73 54.10 3m1a s ARG 244 Cb 0.14 -1.28 0.11 0.00 0.52 0.00 0.00 34.95 34.44 3m1a s ARG 244 CO 0.82 0.31 0.14 -1.17 0.02 0.00 0.00 175.30 175.42 3m1a s LEU 245 N -1.50 1.25 0.43 2.53 0.20 0.26 -4.94 118.68 116.92 3m1a s LEU 245 Ca 0.05 -1.58 -0.23 0.00 0.69 0.00 0.00 54.13 53.06 3m1a s LEU 245 Cb -0.09 -0.56 -0.09 0.00 -0.43 0.00 0.00 46.19 45.03 3m1a s LEU 245 CO 0.03 -0.41 1.06 0.00 -0.29 0.00 0.00 176.35 176.74 3m1a s ALA 246 N 1.73 3.00 -0.10 5.97 0.00 -1.26 -0.46 121.76 130.63 3m1a s ALA 246 Ca 0.11 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 3m1a s ALA 246 Cb -0.18 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3m1a s ALA 246 CO -0.27 -0.29 -0.02 -0.51 0.00 0.00 0.00 175.76 174.68 3m1a s LEU 247 N -2.97 0.89 0.00 0.00 1.43 -0.30 -4.85 118.68 112.88 3m1a s LEU 247 Ca 0.62 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3m1a s LEU 247 Cb -0.21 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.42 3m1a s LEU 247 CO 0.26 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3m1a n GLY 248 N 5.06 1.68 0.37 -3.19 0.00 -1.26 -1.18 105.19 106.67 3m1a n GLY 248 Ca -0.09 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.50 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 1.51 0.90 -0.02 0.00 -1.99 -2.30 103.07 101.16 3m1a h GLY 249 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.00 3m1a h GLY 249 CO 0.00 0.05 0.22 1.29 0.00 0.00 0.00 176.54 178.10 3m1a h ASP 250 N 0.78 0.36 -0.23 0.19 3.04 -1.99 -0.80 116.42 117.76 3m1a h ASP 250 Ca 0.51 0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 54.30 3m1a h ASP 250 Cb 0.77 -0.07 -0.01 0.00 -1.04 0.00 0.00 39.33 38.98 3m1a h ASP 250 CO -0.28 0.26 0.13 0.00 -2.04 0.00 0.00 179.24 177.31 3m1a h ALA 251 N 1.18 0.30 -0.67 4.15 0.00 -1.71 -1.89 119.26 120.62 3m1a h ALA 251 Ca 0.16 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3m1a h ALA 251 Cb 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3m1a h ALA 251 CO -0.08 -0.17 0.41 0.28 0.00 0.00 0.00 179.25 179.69 3m1a h VAL 252 N 0.27 1.06 -0.35 0.00 2.07 -1.24 -0.95 116.25 117.12 3m1a h VAL 252 Ca 0.08 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3m1a h VAL 252 Cb 0.06 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3m1a h VAL 252 CO -0.01 0.14 0.17 0.44 0.02 0.00 0.00 177.57 178.33 3m1a h ASP 253 N 0.79 0.45 -0.77 0.57 3.32 -1.05 -0.08 116.42 119.65 3m1a h ASP 253 Ca 0.28 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3m1a h ASP 253 Cb 0.06 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3m1a h ASP 253 CO -0.12 0.45 0.49 -0.26 -1.72 0.00 0.00 179.24 178.08 3m1a h PHE 254 N 0.43 0.98 -0.11 4.55 0.04 -1.08 -1.04 116.94 120.71 3m1a h PHE 254 Ca 0.12 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 3m1a h PHE 254 Cb 0.12 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 37.94 3m1a h PHE 254 CO -0.02 0.63 -0.12 -0.07 -0.60 0.00 0.00 178.31 178.13 3m1a h LEU 255 N 1.04 0.29 -1.06 1.54 3.38 -0.96 -2.05 115.31 117.50 3m1a h LEU 255 Ca 0.28 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3m1a h LEU 255 Cb -0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3m1a h LEU 255 CO -0.06 0.73 0.12 0.71 0.09 0.00 0.00 178.44 180.03 3m1a h THR 256 N -0.15 1.22 -0.31 0.22 1.35 -0.97 0.54 112.91 114.82 3m1a h THR 256 Ca 0.01 -0.80 0.01 0.00 -0.55 0.00 0.00 66.41 65.09 3m1a h THR 256 Cb 0.65 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 3m1a h THR 256 CO 0.03 0.30 0.18 1.23 -0.25 0.00 0.00 175.52 177.00 3m1a h GLY 257 N 0.95 0.42 1.04 5.82 0.00 -1.15 -0.02 103.07 110.13 3m1a h GLY 257 Ca 0.17 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.25 3m1a h GLY 257 CO -0.00 0.12 -0.19 0.84 0.00 0.00 0.00 176.54 177.31 3m1a h HIS 258 N 0.37 1.00 -0.90 5.60 6.17 -1.06 -2.68 115.15 123.64 3m1a h HIS 258 Ca 0.12 -0.24 -0.02 0.00 0.71 0.00 0.00 60.37 60.94 3m1a h HIS 258 Cb -0.00 -0.23 -0.04 0.00 2.52 0.00 0.00 27.41 29.65 3m1a h HIS 258 CO -0.08 1.02 0.50 -0.07 0.71 0.00 0.00 177.93 180.01 3m1a h LEU 259 N 0.69 1.13 0.02 0.26 3.38 -0.76 -1.32 115.31 118.71 3m1a h LEU 259 Ca 0.10 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3m1a h LEU 259 Cb 0.75 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3m1a h LEU 259 CO 0.06 0.90 -0.08 0.44 0.09 0.00 0.00 178.44 179.85 3m1a h ASP 260 N 1.26 -0.22 -0.41 -0.43 3.32 -0.92 -1.38 116.42 117.64 3m1a h ASP 260 Ca 0.32 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.28 3m1a h ASP 260 Cb 0.03 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3m1a h ASP 260 CO -0.05 -0.11 -0.17 0.77 -1.72 0.00 0.00 179.24 177.96 3m1a h SER 261 N -0.14 0.90 -0.22 6.45 4.64 -1.29 -1.09 113.55 122.80 3m1a h SER 261 Ca 0.03 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 3m1a h SER 261 Cb 0.17 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3m1a h SER 261 CO -0.07 1.06 0.08 0.58 -0.87 0.00 0.00 176.83 177.61 3m1a h VAL 262 N 0.79 1.18 -0.44 0.95 2.07 -1.20 -2.23 116.25 117.37 3m1a h VAL 262 Ca 0.12 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.13 3m1a h VAL 262 Cb 0.70 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3m1a h VAL 262 CO 0.05 0.18 0.16 -0.09 0.02 0.00 0.00 177.57 177.90 3m1a h ARG 263 N 0.19 0.32 -0.52 1.57 9.65 -1.04 -1.28 114.38 123.27 3m1a h ARG 263 Ca 0.07 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 3m1a h ARG 263 Cb 0.21 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3m1a h ARG 263 CO -0.00 0.21 0.21 0.00 2.80 0.00 0.00 179.97 183.20 3m1a h ALA 264 N 1.29 0.68 -0.08 2.80 0.00 -1.12 -2.13 119.26 120.70 3m1a h ALA 264 Ca 0.21 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3m1a h ALA 264 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3m1a h ALA 264 CO -0.21 0.29 0.01 1.49 0.00 0.00 0.00 179.25 180.83 3m1a h GLU 265 N 0.71 0.04 -0.43 0.00 4.81 -1.20 -0.64 114.58 117.86 3m1a h GLU 265 Ca 0.18 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 3m1a h GLU 265 Cb 0.19 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3m1a h GLU 265 CO -0.02 0.03 0.08 1.25 -0.73 0.00 0.00 179.01 179.62 3m1a h LEU 266 N 0.04 -0.01 0.08 1.64 5.85 -1.09 -1.32 115.31 120.50 3m1a h LEU 266 Ca 0.04 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3m1a h LEU 266 Cb 0.03 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3m1a h LEU 266 CO -0.05 0.03 -0.08 0.74 -0.34 0.00 0.00 178.44 178.73 3m1a h THR 267 N 0.21 0.81 -0.81 1.05 2.02 -1.16 -1.14 112.91 113.89 3m1a h THR 267 Ca 0.21 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.46 3m1a h THR 267 Cb 0.27 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 3m1a h THR 267 CO -0.29 0.00 0.48 -0.08 0.37 0.00 0.00 175.52 176.00 3m1a h GLU 268 N -0.19 0.83 -0.23 6.66 4.57 -0.72 -2.85 114.58 122.65 3m1a h GLU 268 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3m1a h GLU 268 Cb 0.18 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3m1a h GLU 268 CO -0.02 0.55 0.00 0.91 -1.18 0.00 0.00 179.01 179.27 3m1a n TRP 269 N -4.69 0.29 -0.25 0.92 7.02 -0.53 -4.60 117.44 115.59 3m1a n TRP 269 Ca 0.12 -0.14 0.02 0.00 -1.02 0.00 0.00 57.50 56.47 3m1a n TRP 269 Cb 0.21 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.24 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 4.10 0.59 -0.52 -0.99 4.81 -0.96 0.22 114.58 121.83 3m1a h GLU 270 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3m1a h GLU 270 Cb 0.89 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 3m1a h GLU 270 CO 0.00 0.39 0.32 0.87 -0.73 0.00 0.00 179.01 179.86 3m1a h LYS 271 N 0.60 0.62 -0.12 1.92 1.57 -1.82 0.41 116.57 119.76 3m1a h LYS 271 Ca 0.35 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 3m1a h LYS 271 Cb 0.38 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3m1a h LYS 271 CO -0.27 0.41 0.03 0.28 -0.57 0.00 0.00 179.45 179.33 3m1a h VAL 272 N 0.63 1.18 -0.23 0.50 2.07 -1.72 -1.62 116.25 117.07 3m1a h VAL 272 Ca 0.20 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3m1a h VAL 272 Cb -0.00 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 3m1a h VAL 272 CO -0.08 0.17 -0.29 0.28 0.02 0.00 0.00 177.57 177.67 3m1a h SER 273 N -0.00 -0.92 1.24 0.57 0.02 -0.77 -2.33 113.55 111.37 3m1a h SER 273 Ca 0.04 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3m1a h SER 273 Cb 0.23 0.42 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 3m1a h SER 273 CO -0.00 -0.32 -0.02 0.03 -1.14 0.00 0.00 176.83 175.38 3m1a h ARG 274 N -0.31 0.00 0.00 3.45 3.08 -0.90 -3.04 114.38 116.66 3m1a h ARG 274 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3m1a h ARG 274 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3m1a h ARG 274 CO -0.40 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 178.92 3m1a n GLY 275 N 0.29 -1.34 0.15 0.04 0.00 -0.61 -3.20 105.19 100.52 3m1a n GLY 275 Ca 0.01 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.27 0.00 -2.02 2.61 -2.24 -1.15 -4.85 114.28 104.35 3m1a n THR 276 Ca 0.02 -0.08 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 3m1a n THR 276 Cb 0.25 -0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.40 6.31 0.00 3.42 1.01 -1.19 -5.18 116.67 118.64 3m1a s ASP 277 Ca 0.31 1.42 0.15 0.00 0.71 0.00 0.00 52.55 55.14 3m1a s ASP 277 Cb 0.20 -2.47 0.88 0.00 1.01 0.00 0.00 42.92 42.54 3m1a s ASP 277 CO 0.46 -0.79 1.30 0.49 0.21 0.00 0.00 175.17 176.83