#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6m s SER 3 N 0.00 1.06 0.00 1.96 1.04 -1.13 -4.90 113.70 111.73 1s6m s SER 3 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1s6m s SER 3 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1s6m s SER 3 CO 0.00 -0.39 0.00 0.00 0.98 0.00 0.00 173.24 173.83 1s6m n HIS 4 N 0.41 0.00 -5.11 5.02 1.44 -1.26 -1.67 115.22 114.05 1s6m n HIS 4 Ca -0.15 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.23 1s6m n HIS 4 Cb 0.59 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.54 1s6m n HIS 4 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 1s6m s VAL 6 N -0.56 2.32 -0.16 0.61 -7.23 -1.26 -5.00 120.40 109.12 1s6m s VAL 6 Ca 0.00 -0.93 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 1s6m s VAL 6 Cb 0.00 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1s6m s VAL 6 CO 0.00 0.55 0.21 -0.76 -0.31 0.00 0.00 175.10 174.79 1s6m s LEU 7 N 0.24 4.26 0.00 1.32 1.02 -0.34 -4.96 118.68 120.23 1s6m s LEU 7 Ca -0.14 0.40 0.01 0.00 0.02 0.00 0.00 54.13 54.42 1s6m s LEU 7 Cb -0.17 -2.22 0.01 0.00 0.02 0.00 0.00 46.19 43.83 1s6m s LEU 7 CO 0.07 0.19 0.10 0.35 0.02 0.00 0.00 176.35 177.08 1s6m n THR 8 N 3.25 0.00 -0.31 5.49 -2.24 -1.26 -0.41 114.28 118.80 1s6m n THR 8 Ca -0.15 -2.28 0.14 0.00 -2.27 0.00 0.00 64.05 59.49 1s6m n THR 8 Cb 0.52 0.35 0.32 0.00 -2.10 0.00 0.00 70.33 69.42 1s6m n THR 8 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1s6m h ARG 9 N 0.00 0.38 0.00 -0.78 9.65 -1.85 0.86 114.38 122.64 1s6m h ARG 9 Ca -0.39 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 1s6m h ARG 9 Cb 1.24 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 1s6m h ARG 9 CO 0.65 0.25 0.00 -0.56 2.80 0.00 0.00 179.97 183.10 1s6m h GLN 10 N 0.39 0.00 -0.20 0.20 3.07 -1.96 -2.14 115.11 114.47 1s6m h GLN 10 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.31 1s6m h GLN 10 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1s6m h GLN 10 CO -0.54 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.13 1s6m n ASP 11 N -2.31 2.92 0.28 0.06 10.43 0.29 -4.47 116.55 123.76 1s6m n ASP 11 Ca 0.00 -1.92 0.13 0.00 2.57 0.00 0.00 54.79 55.57 1s6m n ASP 11 Cb 0.15 -0.12 0.81 0.00 1.84 0.00 0.00 41.12 43.80 1s6m n ASP 11 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1s6m h ILE 12 N 4.13 0.66 -0.01 0.53 2.10 -1.39 -1.93 117.51 121.60 1s6m h ILE 12 Ca 0.00 -0.14 -0.26 0.00 1.08 0.00 0.00 64.86 65.54 1s6m h ILE 12 Cb 0.89 1.09 0.02 0.00 -1.09 0.00 0.00 36.82 37.73 1s6m h ILE 12 CO 0.00 0.03 -1.02 1.23 -1.08 0.00 0.00 178.15 177.31 1s6m h GLY 13 N 0.19 0.79 0.88 8.18 0.00 -1.82 -3.24 103.07 108.05 1s6m h GLY 13 Ca -0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 47.33 45.92 1s6m h GLY 13 CO 0.00 1.21 -0.00 0.07 0.00 0.00 0.00 176.54 177.82 1s6m h ARG 14 N 0.41 0.53 -0.46 4.80 0.11 -1.75 -2.98 114.38 115.03 1s6m h ARG 14 Ca -0.12 -0.17 0.13 0.00 0.10 0.00 0.00 59.98 59.92 1s6m h ARG 14 Cb 1.67 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.69 1s6m h ARG 14 CO 0.20 0.68 0.36 0.00 0.10 0.00 0.00 179.97 181.31 1s6m h ALA 15 N 0.84 2.34 -0.02 0.08 0.00 -1.44 0.61 119.26 121.67 1s6m h ALA 15 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s6m h ALA 15 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1s6m h ALA 15 CO 0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 179.25 178.55 1s6m n ALA 16 N -2.55 2.75 0.57 0.00 0.00 -1.15 -3.82 120.51 116.30 1s6m n ALA 16 Ca 0.08 -0.62 0.11 0.00 0.00 0.00 0.00 53.44 53.01 1s6m n ALA 16 Cb 0.57 -0.89 0.27 0.00 0.00 0.00 0.00 19.45 19.40 1s6m n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s6m n SER 17 N 0.73 2.80 0.00 0.00 3.41 0.20 -4.05 113.62 116.71 1s6m n SER 17 Ca 0.14 -1.91 0.02 0.00 -0.26 0.00 0.00 58.87 56.86 1s6m n SER 17 Cb 0.51 -0.24 0.15 0.00 -0.26 0.00 0.00 64.21 64.37 1s6m n SER 17 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1s6m n TYR 18 N 1.05 0.00 -0.09 7.33 4.01 -1.20 -2.19 117.16 126.07 1s6m n TYR 18 Ca 0.18 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.72 1s6m n TYR 18 Cb 0.49 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.39 1s6m n TYR 18 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1s6m n TYR 19 N -0.63 0.43 0.01 -0.72 4.02 -1.26 -4.57 117.16 114.44 1s6m n TYR 19 Ca 0.04 0.10 -0.11 0.00 -0.01 0.00 0.00 57.90 57.91 1s6m n TYR 19 Cb 0.02 -1.05 0.03 0.00 -0.02 0.00 0.00 39.34 38.31 1s6m n TYR 19 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1s6m h GLU 20 N -0.06 0.55 0.00 -0.72 4.81 -1.74 -3.47 114.58 113.95 1s6m h GLU 20 Ca -0.53 -0.39 -0.11 0.00 -0.13 0.00 0.00 59.36 58.20 1s6m h GLU 20 Cb 1.91 0.06 0.06 0.00 0.63 0.00 0.00 28.75 31.41 1s6m h GLU 20 CO -0.06 1.01 0.02 -0.25 -0.73 0.00 0.00 179.01 179.00 1s6m n ASP 21 N -3.92 -1.54 0.00 1.04 10.43 -1.21 -4.87 116.55 116.47 1s6m n ASP 21 Ca -0.04 -0.61 0.00 0.00 2.57 0.00 0.00 54.79 56.71 1s6m n ASP 21 Cb 0.66 -0.28 0.00 0.00 1.84 0.00 0.00 41.12 43.34 1s6m n ASP 21 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s6m n GLY 22 N 0.09 0.47 3.48 0.44 0.00 -1.26 -4.87 105.19 103.54 1s6m n GLY 22 Ca 0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 1s6m n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6m s ALA 23 N -2.00 -1.69 -0.61 4.61 0.00 -1.26 -3.91 121.76 116.90 1s6m s ALA 23 Ca 0.00 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.71 1s6m s ALA 23 Cb 0.00 0.67 0.28 0.00 0.00 0.00 0.00 23.12 24.06 1s6m s ALA 23 CO 0.00 -0.75 0.79 -0.40 0.00 0.00 0.00 175.76 175.41 1s6m n ASP 24 N -0.32 3.80 -1.54 0.00 3.85 -1.26 -4.41 116.55 116.66 1s6m n ASP 24 Ca -0.13 -3.48 0.10 0.00 -0.71 0.00 0.00 54.79 50.57 1s6m n ASP 24 Cb 0.63 -0.64 0.35 0.00 -1.35 0.00 0.00 41.12 40.12 1s6m n ASP 24 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1s6m n ASP 25 N 0.56 4.62 -3.63 -1.12 2.03 -1.26 -5.12 116.55 112.63 1s6m n ASP 25 Ca 0.30 -2.37 -0.10 0.00 0.52 0.00 0.00 54.79 53.14 1s6m n ASP 25 Cb 0.41 -0.56 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 1s6m n ASP 25 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1s6m s TYR 26 N -1.69 0.37 0.00 -0.67 1.51 -1.26 -5.17 117.35 110.43 1s6m s TYR 26 Ca 0.51 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1s6m s TYR 26 Cb 0.32 0.34 0.00 0.00 -0.11 0.00 0.00 41.96 42.51 1s6m s TYR 26 CO 0.26 -1.17 0.00 -0.40 -1.11 0.00 0.00 175.55 173.13 1s6m n ASP 32 N -0.79 0.00 -0.08 2.29 5.68 -1.26 -5.04 116.55 117.35 1s6m n ASP 32 Ca -0.03 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.39 1s6m n ASP 32 Cb 0.61 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 41.01 1s6m n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s6m n ALA 33 N -0.28 3.07 -3.50 2.12 0.00 -1.26 -4.67 120.51 115.98 1s6m n ALA 33 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 53.44 52.90 1s6m n ALA 33 Cb 0.00 -1.23 -0.17 0.00 0.00 0.00 0.00 19.45 18.06 1s6m n ALA 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1s6m s SER 34 N -2.76 1.64 -0.04 0.00 1.04 -1.26 -0.73 113.70 111.58 1s6m s SER 34 Ca 0.19 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.20 1s6m s SER 34 Cb 0.19 -0.76 0.03 0.00 0.10 0.00 0.00 66.02 65.57 1s6m s SER 34 CO 0.58 0.01 0.34 -0.70 0.98 0.00 0.00 173.24 174.45 1s6m s GLU 35 N 0.73 0.62 0.34 4.02 2.12 -0.61 -4.02 118.70 121.92 1s6m s GLU 35 Ca -0.14 -0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.10 1s6m s GLU 35 Cb -0.15 0.28 -0.06 0.00 0.26 0.00 0.00 34.13 34.46 1s6m s GLU 35 CO 0.03 -0.16 0.66 -1.58 -0.54 0.00 0.00 175.26 173.68 1s6m s TRP 36 N -0.97 3.47 -0.08 5.30 0.52 -0.84 -0.69 118.94 125.66 1s6m s TRP 36 Ca -0.10 0.87 -0.20 0.00 0.02 0.00 0.00 56.10 56.69 1s6m s TRP 36 Cb -0.04 -2.29 0.04 0.00 -1.15 0.00 0.00 33.47 30.03 1s6m s TRP 36 CO 0.04 0.04 0.46 -1.14 0.02 0.00 0.00 176.95 176.36 1s6m s GLN 37 N -3.63 0.73 0.00 4.98 0.74 -0.59 -4.73 119.66 117.17 1s6m s GLN 37 Ca 0.48 0.19 0.00 0.00 0.05 0.00 0.00 55.36 56.08 1s6m s GLN 37 Cb -0.11 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.35 1s6m s GLN 37 CO 0.30 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.26 1s6m n GLY 38 N 1.67 3.55 0.21 2.59 0.00 -1.26 -1.41 105.19 110.53 1s6m n GLY 38 Ca -0.18 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.04 1s6m n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6m h LYS 39 N 0.00 0.48 -0.27 1.61 1.57 -1.88 -1.87 116.57 116.21 1s6m h LYS 39 Ca 0.00 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1s6m h LYS 39 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1s6m h LYS 39 CO 0.00 0.87 -0.01 0.78 -0.57 0.00 0.00 179.45 180.52 1s6m h GLY 40 N 1.14 0.44 1.04 3.86 0.00 -1.66 0.08 103.07 107.97 1s6m h GLY 40 Ca 0.02 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 1s6m h GLY 40 CO 0.09 0.23 -0.59 0.00 0.00 0.00 0.00 176.54 176.28 1s6m h ALA 41 N 1.60 0.30 -0.97 3.60 0.00 -1.36 -2.54 119.26 119.88 1s6m h ALA 41 Ca 0.09 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1s6m h ALA 41 Cb 0.28 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1s6m h ALA 41 CO 0.01 0.54 0.64 0.93 0.00 0.00 0.00 179.25 181.37 1s6m h GLU 42 N 0.40 1.18 -0.98 0.00 4.39 -0.86 -0.08 114.58 118.64 1s6m h GLU 42 Ca -0.02 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.64 1s6m h GLU 42 Cb 1.21 -0.27 -0.06 0.00 -0.10 0.00 0.00 28.75 29.54 1s6m h GLU 42 CO 0.12 0.78 0.64 1.49 -1.16 0.00 0.00 179.01 180.89 1s6m h GLU 43 N 1.22 1.21 -0.08 2.33 4.57 -0.77 -2.28 114.58 120.78 1s6m h GLU 43 Ca 0.39 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1s6m h GLU 43 Cb 0.02 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.34 1s6m h GLU 43 CO -0.12 0.80 0.00 1.28 -1.18 0.00 0.00 179.01 179.79 1s6m n LEU 44 N -4.46 1.58 0.00 1.64 4.77 -0.87 -4.93 117.00 114.73 1s6m n LEU 44 Ca 0.13 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1s6m n LEU 44 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1s6m n LEU 44 CO 0.35 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1s6m n GLY 45 N 1.16 0.52 3.48 -0.72 0.00 -0.86 -5.05 105.19 103.73 1s6m n GLY 45 Ca 0.18 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1s6m n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6m s LEU 46 N 0.00 3.46 0.09 0.99 1.43 -0.10 -5.02 118.68 119.54 1s6m s LEU 46 Ca 0.00 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 1s6m s LEU 46 Cb 0.00 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.35 1s6m s LEU 46 CO 0.00 0.04 0.42 -0.94 0.23 0.00 0.00 176.35 176.10 1s6m s SER 47 N 1.18 -0.27 0.00 2.29 1.04 -1.26 -4.13 113.70 112.55 1s6m s SER 47 Ca 0.04 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1s6m s SER 47 Cb -0.14 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1s6m s SER 47 CO 0.03 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1s6m n GLY 48 N 0.07 -0.22 3.77 7.32 0.00 -1.26 -4.89 105.19 109.98 1s6m n GLY 48 Ca -0.17 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 1s6m n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s6m s GLU 49 N 0.00 3.85 -0.46 1.61 2.12 -1.26 -1.98 118.70 122.58 1s6m s GLU 49 Ca 0.00 2.41 -0.29 0.00 0.36 0.00 0.00 54.97 57.45 1s6m s GLU 49 Cb 0.00 -2.76 0.03 0.00 0.26 0.00 0.00 34.13 31.66 1s6m s GLU 49 CO 0.00 -0.68 1.15 0.08 -0.54 0.00 0.00 175.26 175.27 1s6m s VAL 50 N -1.19 4.21 -0.13 3.70 1.01 -1.26 -4.82 120.40 121.93 1s6m s VAL 50 Ca 0.58 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 1s6m s VAL 50 Cb -0.43 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.34 1s6m s VAL 50 CO 0.57 -0.96 1.41 -0.62 0.00 0.00 0.00 175.10 175.49 1s6m s ASP 51 N 2.46 6.84 0.36 3.32 2.15 -1.26 -4.90 116.67 125.64 1s6m s ASP 51 Ca 0.48 1.89 0.07 0.00 0.43 0.00 0.00 52.55 55.42 1s6m s ASP 51 Cb -0.08 -2.54 0.77 0.00 -0.30 0.00 0.00 42.92 40.78 1s6m s ASP 51 CO 0.31 -0.82 1.93 0.77 -0.17 0.00 0.00 175.17 177.19 1s6m h SER 52 N 8.70 0.65 -0.15 -0.34 4.64 -1.99 -1.38 113.55 123.69 1s6m h SER 52 Ca -0.31 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 1s6m h SER 52 Cb 1.13 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1s6m h SER 52 CO 0.96 0.40 0.04 0.50 -0.87 0.00 0.00 176.83 177.86 1s6m h LYS 53 N 0.73 0.25 -0.43 4.77 3.64 -2.01 -2.37 116.57 121.15 1s6m h LYS 53 Ca 0.35 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.56 1s6m h LYS 53 Cb 0.40 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1s6m h LYS 53 CO -0.13 0.40 -0.16 -0.09 -2.27 0.00 0.00 179.45 177.20 1s6m h ARG 54 N 0.05 0.82 -0.71 1.90 9.65 -1.90 -2.90 114.38 121.29 1s6m h ARG 54 Ca 0.05 -0.30 0.07 0.00 -1.10 0.00 0.00 59.98 58.69 1s6m h ARG 54 Cb 0.26 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.73 1s6m h ARG 54 CO 0.00 0.93 0.40 0.35 2.80 0.00 0.00 179.97 184.44 1s6m h PHE 55 N 0.73 0.73 -0.56 2.20 -0.00 -1.12 -0.18 116.94 118.73 1s6m h PHE 55 Ca 0.11 0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 58.05 1s6m h PHE 55 Cb 0.67 -0.22 -0.02 0.00 -0.00 0.00 0.00 35.95 36.38 1s6m h PHE 55 CO 0.04 0.34 0.11 0.00 -0.00 0.00 0.00 178.31 178.79 1s6m h ARG 56 N 0.72 0.91 -0.63 1.11 3.08 -1.30 -1.28 114.38 117.00 1s6m h ARG 56 Ca 0.32 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1s6m h ARG 56 Cb 0.22 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1s6m h ARG 56 CO -0.20 0.87 0.12 0.93 -1.07 0.00 0.00 179.97 180.62 1s6m h GLU 57 N 0.81 1.01 -0.18 0.04 5.08 -1.21 -2.25 114.58 117.87 1s6m h GLU 57 Ca 0.17 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1s6m h GLU 57 Cb 0.39 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1s6m h GLU 57 CO 0.01 0.92 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.46 1s6m h LEU 58 N 0.95 0.44 -1.63 1.33 3.38 -0.84 0.51 115.31 119.45 1s6m h LEU 58 Ca 0.20 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1s6m h LEU 58 Cb 0.39 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1s6m h LEU 58 CO 0.01 0.80 -0.20 -0.07 0.09 0.00 0.00 178.44 179.07 1s6m h LEU 59 N 0.35 0.00 -0.55 1.67 3.38 -0.86 -1.95 115.31 117.35 1s6m h LEU 59 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s6m h LEU 59 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1s6m h LEU 59 CO 0.07 0.20 -0.19 0.00 0.09 0.00 0.00 178.44 178.61 1s6m n ALA 60 N -2.36 2.95 -0.67 1.53 0.00 -0.88 -4.67 120.51 116.40 1s6m n ALA 60 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1s6m n ALA 60 Cb 0.30 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1s6m n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6m n GLY 61 N 1.30 0.88 3.13 0.00 0.00 -0.73 -5.04 105.19 104.73 1s6m n GLY 61 Ca 0.14 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1s6m n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s6m s ASN 62 N -2.49 5.61 0.00 1.61 3.84 0.13 -4.48 114.94 119.16 1s6m s ASN 62 Ca 0.00 -3.03 0.07 0.00 0.21 0.00 0.00 52.86 50.10 1s6m s ASN 62 Cb 0.00 -1.92 0.32 0.00 -0.55 0.00 0.00 41.25 39.11 1s6m s ASN 62 CO 0.00 -0.35 1.12 -0.38 -2.79 0.00 0.00 177.10 174.70 1s6m n ILE 63 N 3.28 1.12 0.00 -5.21 -0.00 -1.26 -4.08 119.36 113.21 1s6m n ILE 63 Ca 0.12 0.28 0.00 0.00 -0.00 0.00 0.00 62.75 63.15 1s6m n ILE 63 Cb 0.39 -1.17 0.00 0.00 -0.00 0.00 0.00 39.64 38.86 1s6m n ILE 63 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1s6m n GLY 64 N -0.74 1.53 0.00 7.39 0.00 -1.26 -4.88 105.19 107.23 1s6m n GLY 64 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1s6m n GLY 64 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s6m n GLU 65 N 8.79 0.00 0.00 1.61 0.00 -1.26 -2.76 120.64 127.02 1s6m n GLU 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1s6m n GLU 65 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1s6m n GLU 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s6m n GLY 66 N 0.00 0.77 3.97 8.31 0.00 -1.26 -5.14 105.19 111.84 1s6m n GLY 66 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1s6m n GLY 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s6m s HIS 67 N -1.47 1.90 0.69 1.61 2.46 -1.11 -5.10 115.29 114.26 1s6m s HIS 67 Ca 0.00 -0.66 -0.12 0.00 0.47 0.00 0.00 55.06 54.75 1s6m s HIS 67 Cb 0.00 -2.16 0.01 0.00 -0.13 0.00 0.00 32.58 30.30 1s6m s HIS 67 CO 0.00 -0.71 1.07 -0.98 -2.47 0.00 0.00 174.74 171.65 1s6m s ARG 68 N -4.44 2.82 0.26 2.88 3.03 -1.26 -4.82 118.95 117.43 1s6m s ARG 68 Ca 0.52 1.11 -0.04 0.00 2.03 0.00 0.00 55.73 59.35 1s6m s ARG 68 Cb -0.05 -1.97 0.07 0.00 -1.03 0.00 0.00 34.95 31.97 1s6m s ARG 68 CO 0.32 -1.20 0.17 -0.89 -1.13 0.00 0.00 175.30 172.57 1s6m n ILE 69 N -2.92 0.00 -1.73 4.99 5.41 -1.26 -4.79 119.36 119.06 1s6m n ILE 69 Ca 0.08 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1s6m n ILE 69 Cb 0.53 -0.40 0.00 0.00 -0.71 0.00 0.00 39.64 39.06 1s6m n ILE 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1s6m n ARG 71 N -2.56 -2.14 0.19 0.38 1.74 -1.26 -5.04 116.66 107.97 1s6m n ARG 71 Ca 0.03 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.25 1s6m n ARG 71 Cb 0.11 -3.14 0.60 0.00 -1.02 0.00 0.00 32.46 29.00 1s6m n ARG 71 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1s6m h SER 72 N 0.00 0.00 0.00 0.55 4.64 -2.00 -2.75 113.55 113.99 1s6m h SER 72 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s6m h SER 72 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1s6m h SER 72 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1s6m n ALA 73 N -1.90 2.36 -2.03 5.18 0.00 -1.26 -4.81 120.51 118.05 1s6m n ALA 73 Ca 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1s6m n ALA 73 Cb 0.24 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1s6m n ALA 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s6m s THR 74 N -2.00 3.06 0.36 0.00 2.01 -1.04 -4.97 115.64 113.07 1s6m s THR 74 Ca 0.34 0.67 -0.28 0.00 0.31 0.00 0.00 61.69 62.74 1s6m s THR 74 Cb 0.16 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 1s6m s THR 74 CO 0.26 0.03 1.35 -0.13 -0.69 0.00 0.00 174.62 175.44 1s6m s ARG 75 N 1.71 4.18 0.41 4.92 0.52 -1.26 -4.91 118.95 124.51 1s6m s ARG 75 Ca 0.69 2.28 0.29 0.00 -0.52 0.00 0.00 55.73 58.47 1s6m s ARG 75 Cb -0.39 -2.95 1.21 0.00 0.52 0.00 0.00 34.95 33.34 1s6m s ARG 75 CO 0.31 -0.36 1.86 1.96 0.02 0.00 0.00 175.30 179.08 1s6m h GLN 76 N 3.07 0.00 -0.27 3.54 4.20 -1.96 -2.13 115.11 121.57 1s6m h GLN 76 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1s6m h GLN 76 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1s6m h GLN 76 CO 0.64 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.40 1s6m n ASP 77 N -2.66 2.23 -4.57 1.46 5.68 -1.26 -4.91 116.55 112.52 1s6m n ASP 77 Ca 0.01 -1.83 -0.26 0.00 -0.50 0.00 0.00 54.79 52.21 1s6m n ASP 77 Cb 0.26 -0.17 -0.11 0.00 -1.14 0.00 0.00 41.12 39.96 1s6m n ASP 77 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1s6m s SER 78 N -1.46 3.63 0.06 -1.12 0.01 -0.80 -5.14 113.70 108.89 1s6m s SER 78 Ca 0.33 -1.32 -0.17 0.00 1.31 0.00 0.00 55.95 56.10 1s6m s SER 78 Cb 0.18 -0.34 -0.06 0.00 0.21 0.00 0.00 66.02 66.01 1s6m s SER 78 CO 0.27 -0.40 0.52 -0.54 0.41 0.00 0.00 173.24 173.50 1s6m s LYS 79 N -3.70 4.10 0.02 12.44 1.02 -1.26 -4.83 119.74 127.52 1s6m s LYS 79 Ca 0.34 0.62 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 1s6m s LYS 79 Cb 0.08 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1s6m s LYS 79 CO 0.17 0.63 0.98 -2.00 -0.92 0.00 0.00 175.35 174.21 1s6m s GLU 80 N -1.21 4.58 -0.18 1.68 2.12 -1.26 -5.00 118.70 119.43 1s6m s GLU 80 Ca 0.29 1.43 -0.12 0.00 0.36 0.00 0.00 54.97 56.93 1s6m s GLU 80 Cb -0.18 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 1s6m s GLU 80 CO 0.18 -0.01 0.21 1.03 -0.54 0.00 0.00 175.26 176.13 1s6m s ARG 81 N 0.85 4.22 -0.01 4.30 0.52 -1.26 -2.41 118.95 125.16 1s6m s ARG 81 Ca 0.51 -0.06 0.17 0.00 -0.52 0.00 0.00 55.73 55.83 1s6m s ARG 81 Cb -0.21 -3.43 -0.21 0.00 0.52 0.00 0.00 34.95 31.62 1s6m s ARG 81 CO 0.28 0.26 0.59 0.44 0.02 0.00 0.00 175.30 176.89 1s6m n ILE 82 N 3.57 0.00 -3.39 1.52 -5.35 0.45 -4.83 119.36 111.34 1s6m n ILE 82 Ca -0.14 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1s6m n ILE 82 Cb 0.52 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1s6m n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s6m n GLY 83 N 1.44 -1.24 2.79 3.28 0.00 -1.16 -3.12 105.19 107.18 1s6m n GLY 83 Ca 0.01 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 1s6m n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s6m s LEU 84 N 0.00 -0.06 -0.23 0.99 2.96 0.56 -1.20 118.68 121.70 1s6m s LEU 84 Ca 0.00 0.06 -0.19 0.00 -0.22 0.00 0.00 54.13 53.78 1s6m s LEU 84 Cb 0.00 0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.95 1s6m s LEU 84 CO 0.00 -0.28 0.55 -0.62 -1.32 0.00 0.00 176.35 174.68 1s6m s ASP 85 N 2.30 6.53 -0.30 3.68 -1.08 -1.26 -0.96 116.67 125.58 1s6m s ASP 85 Ca 0.04 0.64 -0.04 0.00 -0.52 0.00 0.00 52.55 52.67 1s6m s ASP 85 Cb -0.14 -2.30 0.04 0.00 -1.46 0.00 0.00 42.92 39.05 1s6m s ASP 85 CO -0.08 -0.27 0.03 -0.76 0.52 0.00 0.00 175.17 174.60 1s6m s LEU 86 N 2.12 3.89 -0.32 -1.34 1.43 -0.27 -4.23 118.68 119.95 1s6m s LEU 86 Ca 0.24 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 1s6m s LEU 86 Cb -0.16 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1s6m s LEU 86 CO 0.09 -0.25 0.18 -0.89 0.23 0.00 0.00 176.35 175.72 1s6m s THR 87 N 1.35 4.79 -0.21 5.49 2.01 -0.67 -0.74 115.64 127.66 1s6m s THR 87 Ca -0.02 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.45 1s6m s THR 87 Cb -0.19 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1s6m s THR 87 CO 0.00 0.03 0.36 -0.36 -0.69 0.00 0.00 174.62 173.96 1s6m s PHE 88 N 1.64 3.36 -0.06 4.92 0.40 -0.49 -2.82 117.98 124.93 1s6m s PHE 88 Ca 0.05 0.54 0.05 0.00 -0.60 0.00 0.00 56.93 56.97 1s6m s PHE 88 Cb -0.17 -2.49 -0.00 0.00 0.51 0.00 0.00 43.02 40.87 1s6m s PHE 88 CO 0.07 -0.01 -0.20 -1.12 0.70 0.00 0.00 175.22 174.66 1s6m s SER 89 N 1.07 2.57 0.59 1.36 0.01 -1.26 -1.46 113.70 116.58 1s6m s SER 89 Ca 0.17 -0.43 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 1s6m s SER 89 Cb -0.15 -0.83 -0.02 0.00 0.21 0.00 0.00 66.02 65.24 1s6m s SER 89 CO 0.07 0.17 0.95 0.00 0.41 0.00 0.00 173.24 174.85 1s6m s ALA 90 N 0.08 3.19 0.61 1.44 0.00 -0.89 -4.84 121.76 121.34 1s6m s ALA 90 Ca -0.07 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 1s6m s ALA 90 Cb -0.14 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1s6m s ALA 90 CO 0.04 -0.71 1.18 -2.14 0.00 0.00 0.00 175.76 174.13 1s6m s PRO 91 N -5.06 2.92 0.18 0.00 0.02 -1.26 -4.82 135.00 126.98 1s6m s PRO 91 Ca 0.53 1.74 -0.14 0.00 0.02 0.00 0.00 61.00 63.15 1s6m s PRO 91 Cb -0.11 -1.93 0.17 0.00 0.02 0.00 0.00 34.50 32.65 1s6m s PRO 91 CO 0.49 -1.23 1.68 -0.22 -0.33 0.00 0.00 177.00 177.39 1s6m h LYS 92 N 0.70 0.09 -0.51 5.54 1.63 -1.95 -1.42 116.57 120.65 1s6m h LYS 92 Ca -0.50 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.38 1s6m h LYS 92 Cb 1.29 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.87 1s6m h LYS 92 CO 0.55 0.06 0.34 0.66 -3.45 0.00 0.00 179.45 177.61 1s6m h SER 93 N 0.09 0.30 -0.16 4.20 4.64 -1.93 -0.69 113.55 119.99 1s6m h SER 93 Ca 0.24 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 1s6m h SER 93 Cb 0.36 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1s6m h SER 93 CO -0.42 0.18 -0.54 0.58 -0.87 0.00 0.00 176.83 175.77 1s6m h VAL 94 N 0.33 1.29 -0.52 0.95 2.07 -1.63 -1.95 116.25 116.79 1s6m h VAL 94 Ca 0.23 -1.75 -0.06 0.00 0.82 0.00 0.00 66.70 65.94 1s6m h VAL 94 Cb 0.48 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1s6m h VAL 94 CO -0.05 0.56 0.10 0.28 0.02 0.00 0.00 177.57 178.47 1s6m h SER 95 N 0.58 0.82 0.03 0.57 0.02 -0.80 -2.47 113.55 112.31 1s6m h SER 95 Ca 0.01 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1s6m h SER 95 Cb 1.12 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1s6m h SER 95 CO 0.11 0.87 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.52 1s6m h LEU 96 N 0.74 -0.21 -1.37 5.07 4.07 -1.05 0.15 115.31 122.72 1s6m h LEU 96 Ca 0.16 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 1s6m h LEU 96 Cb 0.39 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1s6m h LEU 96 CO 0.01 -0.11 0.04 -0.61 -1.08 0.00 0.00 178.44 176.68 1s6m h GLN 97 N -0.15 0.45 0.23 1.13 5.75 -1.34 0.34 115.11 121.52 1s6m h GLN 97 Ca 0.02 -0.08 -0.33 0.00 -0.15 0.00 0.00 58.65 58.11 1s6m h GLN 97 Cb 0.17 -0.08 0.03 0.00 1.07 0.00 0.00 27.48 28.67 1s6m h GLN 97 CO -0.05 0.45 -1.54 0.00 -2.65 0.00 0.00 178.83 175.05 1s6m h ALA 98 N 1.60 -0.06 0.00 3.38 0.00 -1.15 -2.64 119.26 120.40 1s6m h ALA 98 Ca 0.10 -0.94 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 1s6m h ALA 98 Cb 0.24 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1s6m h ALA 98 CO 0.00 0.78 -1.96 1.28 0.00 0.00 0.00 179.25 179.35 1s6m n LEU 99 N -3.71 0.00 -0.13 0.00 4.77 0.49 -3.00 117.00 115.41 1s6m n LEU 99 Ca -0.19 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.50 1s6m n LEU 99 Cb 1.08 0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 42.10 1s6m n LEU 99 CO 0.57 0.03 -1.39 0.52 -1.33 0.00 0.00 177.39 175.78 1s6m n VAL 100 N -2.24 1.49 0.14 4.08 0.31 0.08 -4.47 118.33 117.72 1s6m n VAL 100 Ca -0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1s6m n VAL 100 Cb 0.57 -1.90 0.14 0.00 -0.91 0.00 0.00 33.84 31.74 1s6m n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s6m h ALA 101 N -0.98 0.82 -1.37 3.52 0.00 -1.56 -3.46 119.26 116.23 1s6m h ALA 101 Ca -0.65 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1s6m h ALA 101 Cb 1.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1s6m h ALA 101 CO -0.40 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1s6m n GLY 102 N 0.59 0.52 3.30 0.00 0.00 -1.09 -5.02 105.19 103.49 1s6m n GLY 102 Ca -0.00 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 1s6m n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s6m s ASP 103 N -2.50 6.23 0.61 1.61 3.68 -1.01 -4.93 116.67 120.34 1s6m s ASP 103 Ca 0.00 -2.00 0.33 0.00 2.13 0.00 0.00 52.55 53.01 1s6m s ASP 103 Cb 0.00 -2.18 1.97 0.00 -1.45 0.00 0.00 42.92 41.26 1s6m s ASP 103 CO 0.00 -0.77 2.28 0.00 0.13 0.00 0.00 175.17 176.81 1s6m h ALA 104 N 8.59 1.39 0.00 3.66 0.00 -1.91 -1.82 119.26 129.16 1s6m h ALA 104 Ca -0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1s6m h ALA 104 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1s6m h ALA 104 CO 0.96 0.00 0.00 0.93 0.00 0.00 0.00 179.25 181.14 1s6m h GLU 105 N 0.00 0.00 0.00 0.00 4.39 -1.97 -2.34 114.58 114.66 1s6m h GLU 105 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1s6m h GLU 105 Cb 0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1s6m h GLU 105 CO 0.00 0.00 -0.79 0.82 -1.16 0.00 0.00 179.01 177.89 1s6m h ILE 106 N 0.00 1.44 -0.42 3.13 2.04 -1.73 -2.03 117.51 119.94 1s6m h ILE 106 Ca 0.00 -2.80 -0.05 0.00 1.00 0.00 0.00 64.86 63.00 1s6m h ILE 106 Cb 0.52 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 1s6m h ILE 106 CO 0.00 0.77 0.05 0.40 0.00 0.00 0.00 178.15 179.37 1s6m h ILE 107 N 0.00 1.25 -0.62 -0.67 1.08 -1.52 -1.79 117.51 115.24 1s6m h ILE 107 Ca -0.01 -0.91 -0.06 0.00 -0.39 0.00 0.00 64.86 63.50 1s6m h ILE 107 Cb 1.50 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 36.25 1s6m h ILE 107 CO 0.10 0.31 0.15 0.50 -0.69 0.00 0.00 178.15 178.52 1s6m h LYS 108 N 0.55 0.97 -0.90 2.37 3.64 -1.45 -1.08 116.57 120.67 1s6m h LYS 108 Ca 0.12 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1s6m h LYS 108 Cb 0.40 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1s6m h LYS 108 CO 0.01 0.86 0.52 0.00 -2.27 0.00 0.00 179.45 178.57 1s6m h ALA 109 N 1.23 1.21 -0.15 5.00 0.00 -0.99 -0.33 119.26 125.23 1s6m h ALA 109 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1s6m h ALA 109 Cb 0.33 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1s6m h ALA 109 CO 0.00 0.65 -0.07 1.25 0.00 0.00 0.00 179.25 181.09 1s6m h HIS 110 N 1.26 0.36 -0.76 0.00 -0.00 -0.95 -2.34 115.15 112.71 1s6m h HIS 110 Ca 0.32 -0.09 0.03 0.00 -0.00 0.00 0.00 60.37 60.63 1s6m h HIS 110 Cb -0.01 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 27.27 1s6m h HIS 110 CO 0.01 0.63 0.49 -0.44 -0.00 0.00 0.00 177.93 178.61 1s6m h ASP 111 N -0.01 0.81 -0.28 3.26 3.32 -0.88 -1.49 116.42 121.15 1s6m h ASP 111 Ca 0.03 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1s6m h ASP 111 Cb 0.53 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1s6m h ASP 111 CO 0.02 0.56 0.11 0.03 -1.72 0.00 0.00 179.24 178.24 1s6m h ARG 112 N 0.96 0.42 -0.71 3.56 3.08 -1.04 -0.88 114.38 119.77 1s6m h ARG 112 Ca 0.30 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.32 1s6m h ARG 112 Cb -0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1s6m h ARG 112 CO -0.10 0.45 0.43 0.00 -1.07 0.00 0.00 179.97 179.67 1s6m h ALA 113 N 0.95 0.95 -0.17 0.04 0.00 -1.14 -0.28 119.26 119.62 1s6m h ALA 113 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1s6m h ALA 113 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1s6m h ALA 113 CO -0.01 0.15 0.05 0.28 0.00 0.00 0.00 179.25 179.73 1s6m h VAL 114 N 0.80 1.18 -0.89 0.00 2.07 -1.07 -2.04 116.25 116.31 1s6m h VAL 114 Ca 0.31 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1s6m h VAL 114 Cb 0.12 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1s6m h VAL 114 CO -0.15 0.18 0.59 0.00 0.02 0.00 0.00 177.57 178.20 1s6m h ALA 115 N 0.87 1.13 -0.23 1.67 0.00 -0.69 -1.66 119.26 120.35 1s6m h ALA 115 Ca 0.06 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1s6m h ALA 115 Cb 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1s6m h ALA 115 CO -0.00 0.52 -0.45 0.00 0.00 0.00 0.00 179.25 179.32 1s6m h ARG 116 N 1.20 0.58 -0.56 0.00 3.08 -1.00 -2.84 114.38 114.84 1s6m h ARG 116 Ca 0.33 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1s6m h ARG 116 Cb -0.13 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1s6m h ARG 116 CO -0.07 0.92 -0.05 1.15 -1.07 0.00 0.00 179.97 180.85 1s6m h THR 117 N 0.47 1.27 0.00 2.04 2.02 -1.02 -2.83 112.91 114.86 1s6m h THR 117 Ca 0.03 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 1s6m h THR 117 Cb 0.97 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1s6m h THR 117 CO 0.09 0.43 -0.14 -0.07 0.37 0.00 0.00 175.52 176.19 1s6m h LEU 118 N 0.91 0.00 -0.89 2.58 3.38 -1.23 -1.49 115.31 118.57 1s6m h LEU 118 Ca 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1s6m h LEU 118 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1s6m h LEU 118 CO 0.04 0.14 -0.22 -0.33 0.09 0.00 0.00 178.44 178.16 1s6m h GLU 119 N 0.00 0.57 0.00 1.13 5.08 -1.25 -0.55 114.58 119.56 1s6m h GLU 119 Ca -0.00 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1s6m h GLU 119 Cb 0.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1s6m h GLU 119 CO 0.02 0.75 -0.44 1.96 -1.00 0.00 0.00 179.01 180.30 1s6m h GLN 120 N 0.51 0.00 -0.01 2.33 4.20 -1.27 -2.66 115.11 118.20 1s6m h GLN 120 Ca 0.08 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.59 1s6m h GLN 120 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1s6m h GLN 120 CO 0.05 0.44 -0.84 0.00 -0.67 0.00 0.00 178.83 177.81 1s6m h ALA 121 N 1.56 0.55 -0.50 3.87 0.00 -0.97 -3.19 119.26 120.58 1s6m h ALA 121 Ca -0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.11 1s6m h ALA 121 Cb 1.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1s6m h ALA 121 CO 0.06 0.87 -0.09 1.49 0.00 0.00 0.00 179.25 181.57 1s6m h GLU 122 N 0.14 0.91 0.00 0.00 4.81 -0.99 -1.83 114.58 117.62 1s6m h GLU 122 Ca -0.04 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1s6m h GLU 122 Cb 1.45 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1s6m h GLU 122 CO 0.13 0.96 0.00 0.00 -0.73 0.00 0.00 179.01 179.37 1s6m h ALA 123 N 1.07 1.00 -0.50 2.92 0.00 -1.46 -0.53 119.26 121.75 1s6m h ALA 123 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1s6m h ALA 123 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1s6m h ALA 123 CO 0.04 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.83 1s6m n ARG 124 N -2.66 2.56 -2.12 0.00 1.74 -0.69 -4.60 116.66 110.89 1s6m n ARG 124 Ca -0.02 -2.38 -0.42 0.00 -0.77 0.00 0.00 57.85 54.26 1s6m n ARG 124 Cb 0.07 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 1s6m n ARG 124 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s6m s ALA 125 N -1.34 3.62 0.21 7.54 0.00 -0.21 -4.54 121.76 127.05 1s6m s ALA 125 Ca 0.42 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.58 1s6m s ALA 125 Cb 0.24 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1s6m s ALA 125 CO 0.32 -0.65 0.05 -0.65 0.00 0.00 0.00 175.76 174.84 1s6m s GLN 126 N 0.85 1.23 0.15 0.00 -0.21 -1.25 -0.17 119.66 120.26 1s6m s GLN 126 Ca 0.64 -1.63 -0.15 0.00 0.02 0.00 0.00 55.36 54.25 1s6m s GLN 126 Cb -0.39 -0.21 0.02 0.00 1.00 0.00 0.00 33.01 33.44 1s6m s GLN 126 CO 0.32 -0.22 0.40 0.00 -2.12 0.00 0.00 175.29 173.68 1s6m s ALA 127 N -3.75 -0.70 0.30 6.09 0.00 -0.84 -0.98 121.76 121.88 1s6m s ALA 127 Ca 0.30 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.02 1s6m s ALA 127 Cb 0.07 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1s6m s ALA 127 CO 0.08 -0.69 0.24 1.03 0.00 0.00 0.00 175.76 176.43 1s6m s ARG 128 N -3.86 2.77 -0.27 0.00 0.52 -1.26 -1.16 118.95 115.69 1s6m s ARG 128 Ca 0.08 -1.22 -0.16 0.00 -0.52 0.00 0.00 55.73 53.91 1s6m s ARG 128 Cb 0.01 -2.49 0.08 0.00 0.52 0.00 0.00 34.95 33.07 1s6m s ARG 128 CO -0.06 0.21 0.67 -1.14 0.02 0.00 0.00 175.30 175.00 1s6m s GLN 129 N -3.93 0.69 -0.08 3.54 0.74 -0.75 -4.94 119.66 114.93 1s6m s GLN 129 Ca 0.38 1.19 0.00 0.00 0.05 0.00 0.00 55.36 56.98 1s6m s GLN 129 Cb -0.06 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.15 1s6m s GLN 129 CO 0.26 -0.15 -0.08 0.21 -0.55 0.00 0.00 175.29 174.98 1s6m s LYS 130 N 1.60 2.91 -0.11 1.67 2.20 -1.26 -1.09 119.74 125.66 1s6m s LYS 130 Ca -0.10 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1s6m s LYS 130 Cb -0.05 -2.62 0.04 0.00 -1.51 0.00 0.00 37.83 33.69 1s6m s LYS 130 CO -0.19 0.56 0.03 0.42 -0.36 0.00 0.00 175.35 175.81 1s6m s ILE 131 N -0.54 0.31 -1.38 5.43 1.01 -0.63 -4.87 121.20 120.53 1s6m s ILE 131 Ca 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.64 1s6m s ILE 131 Cb -0.12 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1s6m s ILE 131 CO 0.02 0.08 0.42 0.00 0.00 0.00 0.00 174.94 175.46 1s6m n GLN 132 N 5.15 -2.46 0.00 2.79 6.02 -1.26 -1.97 117.38 125.65 1s6m n GLN 132 Ca -0.07 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1s6m n GLN 132 Cb 0.49 -4.19 0.00 0.00 1.02 0.00 0.00 30.24 27.56 1s6m n GLN 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s6m n GLY 133 N -2.05 2.98 3.69 1.08 0.00 -1.26 -5.01 105.19 104.62 1s6m n GLY 133 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1s6m n GLY 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s6m s LYS 134 N -0.21 4.19 -0.12 1.61 2.20 -0.83 -5.07 119.74 121.51 1s6m s LYS 134 Ca 0.00 0.10 -0.12 0.00 -0.36 0.00 0.00 55.97 55.59 1s6m s LYS 134 Cb 0.00 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1s6m s LYS 134 CO 0.00 0.07 0.28 0.99 -0.36 0.00 0.00 175.35 176.33 1s6m s THR 135 N 0.97 5.29 0.06 3.43 2.01 -1.26 -1.60 115.64 124.55 1s6m s THR 135 Ca 0.17 0.52 0.07 0.00 0.31 0.00 0.00 61.69 62.76 1s6m s THR 135 Cb -0.14 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1s6m s THR 135 CO 0.06 0.48 -0.20 -0.13 -0.69 0.00 0.00 174.62 174.15 1s6m s ARG 136 N -0.19 1.21 -0.23 4.92 0.52 -0.25 -4.99 118.95 119.94 1s6m s ARG 136 Ca 0.17 -0.99 -0.08 0.00 -0.52 0.00 0.00 55.73 54.31 1s6m s ARG 136 Cb -0.13 -1.35 -0.04 0.00 0.52 0.00 0.00 34.95 33.94 1s6m s ARG 136 CO 0.06 0.33 0.09 0.42 0.02 0.00 0.00 175.30 176.22 1s6m s ILE 137 N -0.95 4.74 -0.12 1.52 1.01 -1.26 -1.82 121.20 124.32 1s6m s ILE 137 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 1s6m s ILE 137 Cb -0.09 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1s6m s ILE 137 CO 0.03 0.38 -0.11 -0.70 0.00 0.00 0.00 174.94 174.53 1s6m s GLU 138 N 1.08 3.26 -0.43 2.79 2.12 -0.31 -5.00 118.70 122.22 1s6m s GLU 138 Ca 0.05 -0.65 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1s6m s GLU 138 Cb -0.14 -2.64 0.02 0.00 0.26 0.00 0.00 34.13 31.64 1s6m s GLU 138 CO 0.04 0.31 1.03 0.99 -0.54 0.00 0.00 175.26 177.08 1s6m s THR 139 N 0.12 4.39 0.03 -1.70 2.01 -1.26 -1.99 115.64 117.23 1s6m s THR 139 Ca -0.05 1.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.98 1s6m s THR 139 Cb -0.15 -4.48 -0.33 0.00 0.01 0.00 0.00 72.50 67.55 1s6m s THR 139 CO 0.04 -0.81 0.97 0.74 -0.69 0.00 0.00 174.62 174.88 1s6m h THR 140 N 6.05 1.27 0.00 -0.82 2.02 -0.89 -3.49 112.91 117.05 1s6m h THR 140 Ca -0.23 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 64.20 1s6m h THR 140 Cb 1.07 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 70.45 1s6m h THR 140 CO 1.06 0.83 0.00 0.61 0.37 0.00 0.00 175.52 178.40 1s6m n GLY 141 N 1.70 0.29 2.91 2.16 0.00 -0.97 -4.98 105.19 106.31 1s6m n GLY 141 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1s6m n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6m s ASN 142 N -2.06 0.15 0.09 1.61 2.20 -1.26 -4.66 114.94 111.01 1s6m s ASN 142 Ca 0.00 -0.14 0.00 0.00 -0.94 0.00 0.00 52.86 51.78 1s6m s ASN 142 Cb 0.00 0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.22 1s6m s ASN 142 CO 0.00 -0.07 -0.02 -0.76 -2.94 0.00 0.00 177.10 173.31 1s6m s LEU 143 N -0.39 2.32 -0.25 3.54 1.43 -1.26 -4.64 118.68 119.42 1s6m s LEU 143 Ca -0.04 -1.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.01 1s6m s LEU 143 Cb -0.03 0.12 0.04 0.00 0.03 0.00 0.00 46.19 46.36 1s6m s LEU 143 CO -0.00 -0.59 -0.10 -0.69 0.23 0.00 0.00 176.35 175.20 1s6m s VAL 144 N -3.84 2.42 -0.05 -1.59 1.01 -1.26 -1.82 120.40 115.27 1s6m s VAL 144 Ca 0.13 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1s6m s VAL 144 Cb 0.07 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1s6m s VAL 144 CO -0.05 0.12 -0.17 -0.63 0.00 0.00 0.00 175.10 174.37 1s6m s ILE 145 N 1.21 1.46 -0.28 2.22 1.01 -0.50 -1.68 121.20 124.64 1s6m s ILE 145 Ca -0.04 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 1s6m s ILE 145 Cb -0.18 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1s6m s ILE 145 CO -0.06 0.42 0.09 -0.83 0.00 0.00 0.00 174.94 174.56 1s6m s GLY 146 N 0.11 1.79 -0.21 6.18 0.00 -0.24 -1.54 107.32 113.41 1s6m s GLY 146 Ca -0.06 -1.29 -0.08 0.00 0.00 0.00 0.00 44.72 43.29 1s6m s GLY 146 CO 0.03 0.60 0.08 0.54 0.00 0.00 0.00 173.10 174.35 1s6m s LYS 147 N 1.57 3.90 -0.21 2.90 1.02 0.13 -0.70 119.74 128.36 1s6m s LYS 147 Ca 0.05 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.68 1s6m s LYS 147 Cb -0.16 -3.29 0.05 0.00 -0.52 0.00 0.00 37.83 33.90 1s6m s LYS 147 CO 0.04 0.12 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.43 1s6m s PHE 148 N 0.81 2.43 -0.08 3.18 0.40 -0.57 -1.57 117.98 122.59 1s6m s PHE 148 Ca 0.04 -1.64 -0.20 0.00 -0.60 0.00 0.00 56.93 54.53 1s6m s PHE 148 Cb -0.13 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1s6m s PHE 148 CO 0.02 -0.75 0.56 0.50 0.70 0.00 0.00 175.22 176.25 1s6m s ARG 149 N 1.39 4.35 0.31 0.44 3.52 0.09 -0.63 118.95 128.42 1s6m s ARG 149 Ca -0.03 0.62 0.10 0.00 -0.13 0.00 0.00 55.73 56.30 1s6m s ARG 149 Cb -0.17 -3.41 -0.06 0.00 -1.56 0.00 0.00 34.95 29.75 1s6m s ARG 149 CO -0.08 0.19 -0.12 -1.01 -0.81 0.00 0.00 175.30 173.48 1s6m s HIS 150 N 0.45 2.29 0.00 5.12 3.76 0.60 -4.80 115.29 122.70 1s6m s HIS 150 Ca 0.30 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1s6m s HIS 150 Cb -0.16 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.30 1s6m s HIS 150 CO 0.14 0.58 0.09 0.39 -0.85 0.00 0.00 174.74 175.09 1s6m n GLU 151 N -0.71 3.25 -4.24 1.40 1.02 -1.26 -2.48 120.64 117.63 1s6m n GLU 151 Ca -0.05 -0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 56.82 1s6m n GLU 151 Cb 0.62 -0.48 -0.11 0.00 -0.02 0.00 0.00 31.44 31.46 1s6m n GLU 151 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1s6m s THR 152 N -0.49 1.28 0.71 2.62 -4.23 -1.25 -0.81 115.64 113.48 1s6m s THR 152 Ca 0.00 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1s6m s THR 152 Cb 0.00 -1.55 0.12 0.00 1.34 0.00 0.00 72.50 72.41 1s6m s THR 152 CO 0.00 -0.47 0.99 -0.94 -0.54 0.00 0.00 174.62 173.66 1s6m s SER 153 N -2.54 4.39 0.57 3.99 1.04 -0.82 -4.72 113.70 115.61 1s6m s SER 153 Ca 0.10 -0.31 0.32 0.00 0.48 0.00 0.00 55.95 56.54 1s6m s SER 153 Cb -0.04 -0.11 1.73 0.00 0.10 0.00 0.00 66.02 67.70 1s6m s SER 153 CO 0.03 -1.83 2.17 -0.09 0.98 0.00 0.00 173.24 174.50 1s6m h ARG 154 N -0.51 0.00 -0.69 4.02 9.65 -1.99 -1.10 114.38 123.76 1s6m h ARG 154 Ca -0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 1s6m h ARG 154 Cb 1.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1s6m h ARG 154 CO 0.41 0.06 0.00 0.39 2.80 0.00 0.00 179.97 183.63 1s6m n GLU 155 N -3.54 3.20 -1.97 0.20 -0.58 -1.26 -4.85 120.64 111.83 1s6m n GLU 155 Ca -0.02 -2.77 -0.13 0.00 -0.42 0.00 0.00 57.16 53.82 1s6m n GLU 155 Cb 0.17 -1.72 -0.02 0.00 -0.57 0.00 0.00 31.44 29.30 1s6m n GLU 155 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1s6m n ARG 156 N 1.40 -1.01 -2.41 3.49 5.12 -0.42 -5.02 116.66 117.82 1s6m n ARG 156 Ca 0.25 0.74 -0.27 0.00 -1.93 0.00 0.00 57.85 56.64 1s6m n ARG 156 Cb 0.75 -4.92 0.02 0.00 -1.16 0.00 0.00 32.46 27.15 1s6m n ARG 156 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1s6m s ASP 157 N -2.55 5.89 0.21 0.55 1.01 -1.26 -4.77 116.67 115.75 1s6m s ASP 157 Ca 0.00 0.88 -0.30 0.00 0.71 0.00 0.00 52.55 53.83 1s6m s ASP 157 Cb 0.00 -1.98 -0.09 0.00 1.01 0.00 0.00 42.92 41.85 1s6m s ASP 157 CO 0.00 -0.89 1.42 -2.84 0.21 0.00 0.00 175.17 173.07 1s6m s PRO 158 N -4.94 4.30 -0.48 8.23 0.02 -1.26 -1.95 135.00 138.92 1s6m s PRO 158 Ca 0.52 2.22 0.07 0.00 0.02 0.00 0.00 61.00 63.83 1s6m s PRO 158 Cb -0.11 -3.15 0.18 0.00 0.02 0.00 0.00 34.50 31.45 1s6m s PRO 158 CO 0.46 -0.40 0.64 -1.14 -0.33 0.00 0.00 177.00 176.23 1s6m s GLN 159 N 0.01 0.99 -0.08 5.54 2.00 0.01 -4.77 119.66 123.36 1s6m s GLN 159 Ca 0.60 -1.07 -0.30 0.00 -2.00 0.00 0.00 55.36 52.60 1s6m s GLN 159 Cb -0.40 -0.25 -0.05 0.00 0.80 0.00 0.00 33.01 33.10 1s6m s GLN 159 CO 0.39 -1.31 1.70 -1.17 -0.50 0.00 0.00 175.29 174.41 1s6m s LEU 160 N 0.95 4.23 0.15 3.68 2.96 -1.26 -3.75 118.68 125.64 1s6m s LEU 160 Ca 0.27 2.17 -0.17 0.00 -0.22 0.00 0.00 54.13 56.18 1s6m s LEU 160 Cb -0.01 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 43.18 1s6m s LEU 160 CO -0.07 -1.03 0.45 -1.38 -1.32 0.00 0.00 176.35 172.99 1s6m s HIS 161 N 4.44 -0.19 -0.04 5.38 -3.43 -1.03 -2.09 115.29 118.33 1s6m s HIS 161 Ca 0.76 -0.12 0.01 0.00 -0.80 0.00 0.00 55.06 54.91 1s6m s HIS 161 Cb -0.33 0.31 0.02 0.00 -1.43 0.00 0.00 32.58 31.15 1s6m s HIS 161 CO 0.31 -0.77 -0.05 0.99 -2.00 0.00 0.00 174.74 173.22 1s6m s THR 162 N -3.82 0.57 -0.44 -5.38 2.01 -0.54 -0.29 115.64 107.75 1s6m s THR 162 Ca 0.05 -0.16 -0.19 0.00 0.31 0.00 0.00 61.69 61.70 1s6m s THR 162 Cb 0.01 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.97 1s6m s THR 162 CO -0.09 0.22 0.53 -1.00 -0.69 0.00 0.00 174.62 173.59 1s6m s HIS 163 N 0.79 3.12 -0.54 4.92 3.76 0.20 -1.40 115.29 126.13 1s6m s HIS 163 Ca -0.11 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.33 1s6m s HIS 163 Cb -0.14 -3.13 0.09 0.00 1.11 0.00 0.00 32.58 30.51 1s6m s HIS 163 CO 0.00 -0.80 0.61 0.00 -0.85 0.00 0.00 174.74 173.70 1s6m s ALA 164 N 2.43 3.46 -0.54 -1.40 0.00 0.08 -1.51 121.76 124.27 1s6m s ALA 164 Ca 0.16 -2.10 -0.21 0.00 0.00 0.00 0.00 51.96 49.81 1s6m s ALA 164 Cb -0.16 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.64 1s6m s ALA 164 CO 0.15 -2.11 0.77 0.08 0.00 0.00 0.00 175.76 174.65 1s6m s VAL 165 N 2.38 4.65 -0.28 0.00 1.01 0.12 -1.12 120.40 127.17 1s6m s VAL 165 Ca 0.10 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 1s6m s VAL 165 Cb -0.23 -4.43 -0.00 0.00 0.00 0.00 0.00 36.38 31.71 1s6m s VAL 165 CO 0.08 -1.00 0.83 -0.63 0.00 0.00 0.00 175.10 174.37 1s6m s ILE 166 N 3.22 4.78 0.47 2.22 1.01 -0.13 -1.08 121.20 131.69 1s6m s ILE 166 Ca 0.20 1.37 -0.21 0.00 0.00 0.00 0.00 60.65 62.01 1s6m s ILE 166 Cb -0.17 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 1s6m s ILE 166 CO 0.14 -0.20 1.04 -0.76 0.00 0.00 0.00 174.94 175.15 1s6m s LEU 167 N 2.97 3.90 -1.01 2.97 1.43 -0.67 -0.32 118.68 127.95 1s6m s LEU 167 Ca 0.34 1.95 -0.23 0.00 -1.03 0.00 0.00 54.13 55.16 1s6m s LEU 167 Cb -0.14 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.57 1s6m s LEU 167 CO 0.11 -0.73 1.79 0.21 0.23 0.00 0.00 176.35 177.95 1s6m s ASN 168 N -1.90 5.66 0.00 2.29 3.04 -1.18 -4.73 114.94 118.11 1s6m s ASN 168 Ca 0.66 -1.19 0.00 0.00 0.04 0.00 0.00 52.86 52.37 1s6m s ASN 168 Cb -0.17 -2.57 0.00 0.00 -1.54 0.00 0.00 41.25 36.97 1s6m s ASN 168 CO 0.21 -2.31 0.00 1.07 -3.04 0.00 0.00 177.10 173.03 1s6m n THR 170 N 7.46 0.00 -3.46 -5.21 5.66 0.97 -4.22 114.28 115.48 1s6m n THR 170 Ca 0.40 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 61.02 1s6m n THR 170 Cb 0.48 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.18 1s6m n THR 170 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1s6m s LYS 171 N -1.67 4.15 0.91 1.09 2.20 -1.26 -0.50 119.74 124.64 1s6m s LYS 171 Ca 0.00 0.07 -0.13 0.00 -0.36 0.00 0.00 55.97 55.55 1s6m s LYS 171 Cb 0.00 -3.54 0.17 0.00 -1.51 0.00 0.00 37.83 32.96 1s6m s LYS 171 CO 0.00 -0.01 1.26 1.03 -0.36 0.00 0.00 175.35 177.27 1s6m s ARG 172 N 1.23 0.96 0.34 4.03 0.52 -0.46 -4.87 118.95 120.71 1s6m s ARG 172 Ca 0.16 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1s6m s ARG 172 Cb -0.14 -1.93 0.61 0.00 0.52 0.00 0.00 34.95 34.01 1s6m s ARG 172 CO 0.07 -2.17 2.00 0.77 0.02 0.00 0.00 175.30 175.99 1s6m h SER 173 N -1.41 0.74 0.00 0.23 0.02 -1.94 -2.17 113.55 109.02 1s6m h SER 173 Ca -0.44 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1s6m h SER 173 Cb 1.25 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1s6m h SER 173 CO 0.42 0.55 0.00 -0.90 -1.14 0.00 0.00 176.83 175.76 1s6m n ASP 174 N -4.43 0.00 0.00 3.07 5.75 -1.26 -4.90 116.55 114.78 1s6m n ASP 174 Ca 0.06 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 1s6m n ASP 174 Cb 0.05 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1s6m n ASP 174 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s6m n GLY 175 N 0.86 1.03 3.80 6.12 0.00 -0.82 -5.06 105.19 111.12 1s6m n GLY 175 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1s6m n GLY 175 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s6m s GLN 176 N -0.47 4.28 -0.04 1.61 -1.52 -1.26 -4.80 119.66 117.46 1s6m s GLN 176 Ca 0.00 0.82 -0.21 0.00 -1.95 0.00 0.00 55.36 54.02 1s6m s GLN 176 Cb 0.00 -3.25 -0.05 0.00 -0.22 0.00 0.00 33.01 29.50 1s6m s GLN 176 CO 0.00 0.61 0.60 -1.58 -0.25 0.00 0.00 175.29 174.68 1s6m s TRP 177 N -1.07 3.62 0.25 0.91 0.52 -1.26 -1.35 118.94 120.56 1s6m s TRP 177 Ca 0.30 1.16 0.02 0.00 0.02 0.00 0.00 56.10 57.60 1s6m s TRP 177 Cb -0.20 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 1s6m s TRP 177 CO 0.20 0.25 0.18 1.03 0.02 0.00 0.00 176.95 178.63 1s6m s ARG 178 N 0.23 1.41 0.69 4.98 1.81 0.34 -4.93 118.95 123.48 1s6m s ARG 178 Ca 0.32 -1.77 -0.14 0.00 -1.72 0.00 0.00 55.73 52.42 1s6m s ARG 178 Cb -0.18 0.25 0.02 0.00 -0.45 0.00 0.00 34.95 34.59 1s6m s ARG 178 CO 0.16 -0.47 1.10 0.00 -0.68 0.00 0.00 175.30 175.41 1s6m s ALA 179 N -3.89 2.41 0.02 2.13 0.00 -1.26 -0.02 121.76 121.15 1s6m s ALA 179 Ca 0.39 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 1s6m s ALA 179 Cb 0.05 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1s6m s ALA 179 CO 0.17 -1.43 0.78 -1.17 0.00 0.00 0.00 175.76 174.12 1s6m s LEU 180 N -5.20 4.42 -0.50 0.00 2.96 -1.26 -4.64 118.68 114.45 1s6m s LEU 180 Ca 0.65 1.43 -0.22 0.00 -0.22 0.00 0.00 54.13 55.77 1s6m s LEU 180 Cb -0.19 -3.25 0.04 0.00 0.50 0.00 0.00 46.19 43.29 1s6m s LEU 180 CO 0.46 -0.04 0.75 -0.75 -1.32 0.00 0.00 176.35 175.45 1s6m s LYS 181 N 0.23 3.26 0.00 1.98 2.20 -0.15 -4.92 119.74 122.35 1s6m s LYS 181 Ca 0.40 -0.47 0.23 0.00 -0.36 0.00 0.00 55.97 55.78 1s6m s LYS 181 Cb -0.20 -4.03 0.96 0.00 -1.51 0.00 0.00 37.83 33.05 1s6m s LYS 181 CO 0.23 -1.24 1.67 0.27 -0.36 0.00 0.00 175.35 175.92 1s6m n ASN 182 N 6.67 1.30 -0.21 1.43 0.23 -1.26 -3.90 115.26 119.52 1s6m n ASN 182 Ca -0.02 -1.57 -0.09 0.00 -0.53 0.00 0.00 54.58 52.37 1s6m n ASN 182 Cb 0.47 -0.06 -0.05 0.00 -2.08 0.00 0.00 39.78 38.07 1s6m n ASN 182 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1s6m h ASP 183 N 1.82 -1.59 -0.23 0.53 5.19 -1.94 -1.38 116.42 118.82 1s6m h ASP 183 Ca 0.00 0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 1s6m h ASP 183 Cb 0.40 0.71 -0.02 0.00 0.18 0.00 0.00 39.33 40.60 1s6m h ASP 183 CO 0.00 -0.34 0.10 -0.33 -3.12 0.00 0.00 179.24 175.55 1s6m h GLU 184 N -0.24 0.40 -0.01 3.56 4.39 -1.84 -1.49 114.58 119.35 1s6m h GLU 184 Ca 0.16 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 1s6m h GLU 184 Cb 0.56 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1s6m h GLU 184 CO -0.69 0.35 -0.31 0.82 -1.16 0.00 0.00 179.01 178.01 1s6m h ILE 185 N 0.40 1.52 -0.25 3.13 2.04 -1.65 -2.99 117.51 119.70 1s6m h ILE 185 Ca 0.10 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 1s6m h ILE 185 Cb 0.11 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1s6m h ILE 185 CO -0.01 0.54 0.13 0.58 0.00 0.00 0.00 178.15 179.39 1s6m h VAL 186 N -0.41 1.13 0.00 1.67 2.07 -1.14 -2.51 116.25 117.07 1s6m h VAL 186 Ca -0.04 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1s6m h VAL 186 Cb 1.05 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1s6m h VAL 186 CO 0.06 0.13 0.00 0.29 0.02 0.00 0.00 177.57 178.07 1s6m n LYS 187 N -4.84 0.07 -0.65 1.57 5.02 -0.57 -2.64 118.16 116.12 1s6m n LYS 187 Ca -0.03 0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.63 1s6m n LYS 187 Cb 0.09 -1.63 0.34 0.00 -0.02 0.00 0.00 35.03 33.81 1s6m n LYS 187 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s6m n ALA 188 N -1.60 3.26 -0.15 7.82 0.00 -0.95 -4.67 120.51 124.22 1s6m n ALA 188 Ca 0.03 -1.79 -0.04 0.00 0.00 0.00 0.00 53.44 51.64 1s6m n ALA 188 Cb 0.21 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 18.75 1s6m n ALA 188 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1s6m h THR 189 N 3.56 0.91 -0.41 0.00 2.02 -1.45 0.37 112.91 117.92 1s6m h THR 189 Ca 0.00 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1s6m h THR 189 Cb 1.57 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1s6m h THR 189 CO 0.30 0.08 0.06 -0.09 0.37 0.00 0.00 175.52 176.23 1s6m h ARG 190 N 0.41 0.68 -0.37 6.66 2.43 -1.87 -0.89 114.38 121.44 1s6m h ARG 190 Ca 0.21 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1s6m h ARG 190 Cb 0.16 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1s6m h ARG 190 CO -0.18 0.73 0.24 -0.92 -1.51 0.00 0.00 179.97 178.33 1s6m h TYR 191 N 0.53 0.45 0.00 2.20 3.20 -1.81 -1.77 116.97 119.76 1s6m h TYR 191 Ca 0.12 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1s6m h TYR 191 Cb 0.38 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1s6m h TYR 191 CO 0.03 0.28 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.57 1s6m h LEU 192 N 0.49 0.00 -0.88 2.82 3.38 -0.79 -1.75 115.31 118.58 1s6m h LEU 192 Ca 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1s6m h LEU 192 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1s6m h LEU 192 CO -0.04 0.18 -0.40 1.23 0.09 0.00 0.00 178.44 179.51 1s6m h GLY 193 N 0.66 0.36 1.93 0.83 0.00 -0.33 -2.43 103.07 104.08 1s6m h GLY 193 Ca -0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 1s6m h GLY 193 CO 0.02 0.31 -0.68 0.00 0.00 0.00 0.00 176.54 176.20 1s6m h ALA 194 N 1.30 0.85 -0.49 3.60 0.00 -0.65 -2.15 119.26 121.73 1s6m h ALA 194 Ca 0.03 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 1s6m h ALA 194 Cb 0.83 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1s6m h ALA 194 CO 0.07 0.82 -0.03 0.28 0.00 0.00 0.00 179.25 180.39 1s6m h VAL 195 N 0.05 1.27 -0.52 0.00 2.07 -1.10 -1.66 116.25 116.36 1s6m h VAL 195 Ca -0.01 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1s6m h VAL 195 Cb 1.20 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1s6m h VAL 195 CO 0.09 0.39 0.23 0.22 0.02 0.00 0.00 177.57 178.53 1s6m h TYR 196 N 0.74 0.77 -0.60 1.57 3.20 -1.28 -1.69 116.97 119.67 1s6m h TYR 196 Ca 0.14 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1s6m h TYR 196 Cb 0.55 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1s6m h TYR 196 CO 0.04 0.61 0.37 -0.91 -1.64 0.00 0.00 178.16 176.64 1s6m h ASN 197 N 0.70 0.72 -0.35 -2.11 -0.26 -1.25 -1.29 115.58 111.74 1s6m h ASN 197 Ca 0.18 -0.05 -0.06 0.00 -0.56 0.00 0.00 56.30 55.80 1s6m h ASN 197 Cb 0.15 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1s6m h ASN 197 CO -0.02 0.56 -0.02 0.00 -1.06 0.00 0.00 177.43 176.88 1s6m h ALA 198 N 1.19 0.47 -0.47 -0.83 0.00 -1.09 -1.73 119.26 116.80 1s6m h ALA 198 Ca 0.22 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1s6m h ALA 198 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1s6m h ALA 198 CO -0.04 0.26 -0.20 0.93 0.00 0.00 0.00 179.25 180.19 1s6m h GLU 199 N 0.43 0.95 -0.23 0.00 4.39 -1.24 -1.96 114.58 116.93 1s6m h GLU 199 Ca 0.10 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1s6m h GLU 199 Cb 0.49 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1s6m h GLU 199 CO 0.02 1.06 0.09 1.25 -1.16 0.00 0.00 179.01 180.27 1s6m h LEU 200 N 0.82 0.31 -0.68 1.33 5.85 -1.20 -1.42 115.31 120.32 1s6m h LEU 200 Ca 0.11 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1s6m h LEU 200 Cb 0.76 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1s6m h LEU 200 CO 0.06 0.39 0.40 0.00 -0.34 0.00 0.00 178.44 178.94 1s6m h ALA 201 N 0.94 0.91 -0.61 1.25 0.00 -1.25 -0.52 119.26 119.98 1s6m h ALA 201 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1s6m h ALA 201 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1s6m h ALA 201 CO -0.01 0.10 0.21 1.25 0.00 0.00 0.00 179.25 180.80 1s6m h HIS 202 N 0.74 0.95 -0.14 0.00 -0.00 -1.13 -1.37 115.15 114.19 1s6m h HIS 202 Ca 0.30 -0.09 -0.12 0.00 -0.00 0.00 0.00 60.37 60.46 1s6m h HIS 202 Cb 0.14 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1s6m h HIS 202 CO -0.07 0.78 -0.43 0.93 -0.00 0.00 0.00 177.93 179.14 1s6m h GLU 203 N 0.85 0.34 -0.08 5.26 4.39 -0.68 -2.84 114.58 121.82 1s6m h GLU 203 Ca 0.20 -0.17 -0.19 0.00 0.34 0.00 0.00 59.36 59.54 1s6m h GLU 203 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1s6m h GLU 203 CO -0.01 0.71 -0.74 -0.07 -1.16 0.00 0.00 179.01 177.75 1s6m h LEU 204 N 0.28 0.50 -1.43 1.33 3.38 -0.90 -3.06 115.31 115.40 1s6m h LEU 204 Ca 0.02 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1s6m h LEU 204 Cb 0.88 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1s6m h LEU 204 CO 0.07 1.07 -0.24 1.56 0.09 0.00 0.00 178.44 180.99 1s6m h GLN 205 N 0.28 0.00 0.00 1.13 4.20 -1.16 -2.13 115.11 117.43 1s6m h GLN 205 Ca -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1s6m h GLN 205 Cb 1.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1s6m h GLN 205 CO 0.13 0.24 -0.13 0.87 -0.67 0.00 0.00 178.83 179.27 1s6m h LYS 206 N 0.00 0.00 0.00 1.46 1.57 -1.40 -2.66 116.57 115.55 1s6m h LYS 206 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s6m h LYS 206 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1s6m h LYS 206 CO 0.03 0.13 -0.42 1.28 -0.57 0.00 0.00 179.45 179.90 1s6m n LEU 207 N -3.23 0.43 0.00 2.94 4.77 -0.82 -4.96 117.00 116.12 1s6m n LEU 207 Ca 0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1s6m n LEU 207 Cb 0.41 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1s6m n LEU 207 CO 0.32 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1s6m n GLY 208 N 1.49 1.09 3.86 -0.72 0.00 -1.00 -5.10 105.19 104.81 1s6m n GLY 208 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1s6m n GLY 208 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s6m s TYR 209 N -2.00 3.49 -0.12 1.61 1.51 -1.09 -5.03 117.35 115.71 1s6m s TYR 209 Ca 0.00 0.94 -0.07 0.00 -1.01 0.00 0.00 57.07 56.93 1s6m s TYR 209 Cb 0.00 -2.30 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1s6m s TYR 209 CO 0.00 0.32 0.13 -1.14 -1.11 0.00 0.00 175.55 173.76 1s6m s GLN 210 N -2.51 3.43 0.12 -0.62 2.00 -1.26 -4.40 119.66 116.42 1s6m s GLN 210 Ca 0.44 -0.14 0.07 0.00 -2.00 0.00 0.00 55.36 53.72 1s6m s GLN 210 Cb -0.12 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.47 1s6m s GLN 210 CO 0.20 0.77 -0.06 -0.51 -0.50 0.00 0.00 175.29 175.20 1s6m s LEU 211 N -1.01 3.20 -0.28 3.68 1.43 -1.26 -1.13 118.68 123.30 1s6m s LEU 211 Ca 0.15 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1s6m s LEU 211 Cb -0.12 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.22 1s6m s LEU 211 CO 0.04 0.16 -0.06 -0.60 0.23 0.00 0.00 176.35 176.12 1s6m s ARG 212 N -2.41 2.14 0.01 1.70 3.52 -0.34 -4.74 118.95 118.83 1s6m s ARG 212 Ca 0.24 -1.43 -0.29 0.00 -0.13 0.00 0.00 55.73 54.11 1s6m s ARG 212 Cb -0.11 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1s6m s ARG 212 CO 0.16 -0.65 0.94 0.71 -0.81 0.00 0.00 175.30 175.64 1s6m s TYR 213 N 1.10 3.68 -0.07 5.12 1.51 -1.26 -2.54 117.35 124.89 1s6m s TYR 213 Ca -0.05 1.66 -0.00 0.00 -1.01 0.00 0.00 57.07 57.67 1s6m s TYR 213 Cb -0.20 -3.06 -0.00 0.00 -0.11 0.00 0.00 41.96 38.59 1s6m s TYR 213 CO -0.05 0.05 -0.01 0.78 -1.11 0.00 0.00 175.55 175.22 1s6m h GLY 214 N 6.52 0.00 0.00 0.71 0.00 -1.64 -3.49 103.07 105.17 1s6m h GLY 214 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1s6m h GLY 214 CO 0.74 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.56 1s6m n LYS 215 N -4.00 0.00 0.01 4.80 5.02 -1.26 -4.91 118.16 117.82 1s6m n LYS 215 Ca -0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1s6m n LYS 215 Cb 0.01 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.04 1s6m n LYS 215 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1s6m n ASP 216 N 0.00 0.68 0.00 4.39 8.00 -1.26 -4.91 116.55 123.45 1s6m n ASP 216 Ca 0.00 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1s6m n ASP 216 Cb 0.00 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1s6m n ASP 216 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s6m n GLY 217 N 1.43 0.92 3.99 0.44 0.00 -1.26 -5.09 105.19 105.62 1s6m n GLY 217 Ca 0.03 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1s6m n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s6m s ASN 218 N -2.11 5.58 0.11 1.61 0.02 -1.26 -4.94 114.94 113.95 1s6m s ASN 218 Ca 0.00 -0.17 -0.12 0.00 -1.02 0.00 0.00 52.86 51.55 1s6m s ASN 218 Cb 0.00 -0.90 0.01 0.00 0.02 0.00 0.00 41.25 40.39 1s6m s ASN 218 CO 0.00 -0.85 0.29 0.72 0.02 0.00 0.00 177.10 177.28 1s6m s PHE 219 N -2.49 -0.01 0.05 2.20 -0.71 -1.26 -1.53 117.98 114.22 1s6m s PHE 219 Ca 0.54 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 56.06 1s6m s PHE 219 Cb -0.10 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1s6m s PHE 219 CO 0.35 -0.62 -0.04 -0.51 -1.34 0.00 0.00 175.22 173.06 1s6m s ASP 220 N -2.84 0.54 0.26 1.98 1.01 -1.05 -4.73 116.67 111.84 1s6m s ASP 220 Ca 0.04 -0.77 -0.31 0.00 0.71 0.00 0.00 52.55 52.22 1s6m s ASP 220 Cb 0.03 0.13 -0.12 0.00 1.01 0.00 0.00 42.92 43.98 1s6m s ASP 220 CO -0.11 -0.43 1.62 0.18 0.21 0.00 0.00 175.17 176.64 1s6m n LEU 221 N 0.78 4.15 0.05 1.23 4.77 -1.26 -1.20 117.00 125.52 1s6m n LEU 221 Ca -0.18 1.12 0.18 0.00 -0.03 0.00 0.00 56.01 57.10 1s6m n LEU 221 Cb 0.58 -1.57 0.68 0.00 -2.33 0.00 0.00 43.42 40.78 1s6m n LEU 221 CO 0.25 0.11 1.16 0.00 -1.33 0.00 0.00 177.39 177.58 1s6m h ALA 222 N 5.37 2.40 -0.17 -1.18 0.00 -1.42 -2.89 119.26 121.37 1s6m h ALA 222 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1s6m h ALA 222 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s6m h ALA 222 CO 0.84 -0.53 0.00 -2.39 0.00 0.00 0.00 179.25 177.17 1s6m n HIS 223 N -4.40 0.23 -4.05 0.00 1.44 -1.26 -4.76 115.22 102.42 1s6m n HIS 223 Ca 0.07 -0.11 -0.30 0.00 -2.01 0.00 0.00 57.72 55.37 1s6m n HIS 223 Cb 0.51 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.45 1s6m n HIS 223 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1s6m s ILE 224 N -1.77 1.60 0.72 0.61 1.01 -1.09 -4.75 121.20 117.52 1s6m s ILE 224 Ca 0.22 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1s6m s ILE 224 Cb 0.11 -1.49 0.09 0.00 0.01 0.00 0.00 42.46 41.18 1s6m s ILE 224 CO 0.16 0.46 1.01 1.51 0.00 0.00 0.00 174.94 178.09 1s6m s ASP 225 N 1.45 4.53 0.26 3.58 1.47 -1.26 -4.82 116.67 121.88 1s6m s ASP 225 Ca 0.04 0.12 -0.04 0.00 1.18 0.00 0.00 52.55 53.85 1s6m s ASP 225 Cb -0.13 -0.65 0.34 0.00 -0.34 0.00 0.00 42.92 42.14 1s6m s ASP 225 CO -0.10 -1.75 1.92 -0.09 0.68 0.00 0.00 175.17 175.82 1s6m h ARG 226 N -0.60 1.24 -0.49 2.11 9.65 -1.99 -1.50 114.38 122.79 1s6m h ARG 226 Ca -0.42 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.40 1s6m h ARG 226 Cb 1.29 -0.28 -0.03 0.00 -1.39 0.00 0.00 29.97 29.56 1s6m h ARG 226 CO 0.50 0.82 0.31 0.37 2.80 0.00 0.00 179.97 184.77 1s6m h GLN 227 N 1.27 0.62 -0.26 0.20 4.15 -1.99 -0.47 115.11 118.63 1s6m h GLN 227 Ca 0.39 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.68 1s6m h GLN 227 Cb -0.03 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 1s6m h GLN 227 CO -0.11 0.41 -0.22 1.96 -1.93 0.00 0.00 178.83 178.94 1s6m h GLN 228 N 0.64 0.49 -0.22 1.69 4.20 -1.78 -2.23 115.11 117.89 1s6m h GLN 228 Ca 0.19 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1s6m h GLN 228 Cb -0.04 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1s6m h GLN 228 CO -0.06 0.68 -0.00 0.82 -0.67 0.00 0.00 178.83 179.60 1s6m h ILE 229 N 0.44 1.26 0.00 2.54 2.04 -0.65 -2.94 117.51 120.20 1s6m h ILE 229 Ca 0.07 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1s6m h ILE 229 Cb 0.62 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1s6m h ILE 229 CO 0.04 0.28 -0.15 -0.33 0.00 0.00 0.00 178.15 177.99 1s6m h GLU 230 N 0.16 0.00 0.00 2.37 5.08 -0.95 -1.80 114.58 119.44 1s6m h GLU 230 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1s6m h GLU 230 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1s6m h GLU 230 CO 0.01 0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 1s6m n GLY 231 N -0.74 -1.16 0.36 -3.84 0.00 -0.85 -2.03 105.19 96.92 1s6m n GLY 231 Ca -0.02 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1s6m n GLY 231 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s6m n PHE 232 N -2.13 0.00 -3.24 1.61 3.01 -0.69 -4.82 117.46 111.19 1s6m n PHE 232 Ca 0.02 -1.16 -0.25 0.00 1.01 0.00 0.00 57.45 57.07 1s6m n PHE 232 Cb 0.19 -0.19 -0.06 0.00 -0.01 0.00 0.00 39.48 39.40 1s6m n PHE 232 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1s6m n SER 233 N -1.19 2.27 -0.18 4.37 7.64 -0.86 -4.67 113.62 121.00 1s6m n SER 233 Ca 0.16 -3.17 -0.09 0.00 1.01 0.00 0.00 58.87 56.79 1s6m n SER 233 Cb 0.68 -0.64 0.01 0.00 -1.01 0.00 0.00 64.21 63.25 1s6m n SER 233 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1s6m h LYS 234 N 3.80 0.83 -0.96 1.43 1.57 -1.88 -2.73 116.57 118.63 1s6m h LYS 234 Ca 0.13 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1s6m h LYS 234 Cb 0.75 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 1s6m h LYS 234 CO 0.66 0.82 0.62 0.00 -0.57 0.00 0.00 179.45 180.98 1s6m h ARG 235 N 0.71 1.27 -0.50 3.15 2.47 -1.96 -0.67 114.38 118.85 1s6m h ARG 235 Ca 0.15 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1s6m h ARG 235 Cb 0.39 -0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 1s6m h ARG 235 CO 0.01 0.86 0.17 1.15 0.56 0.00 0.00 179.97 182.72 1s6m h THR 236 N 1.31 1.19 -0.38 2.04 2.02 -1.94 -1.37 112.91 115.78 1s6m h THR 236 Ca 0.35 -0.63 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 1s6m h THR 236 Cb -0.12 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1s6m h THR 236 CO -0.07 0.24 -0.31 -0.08 0.37 0.00 0.00 175.52 175.67 1s6m h GLU 237 N 0.71 0.83 -0.56 6.66 4.81 -0.97 -2.15 114.58 123.90 1s6m h GLU 237 Ca 0.17 -0.39 -0.11 0.00 -0.13 0.00 0.00 59.36 58.91 1s6m h GLU 237 Cb 0.18 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1s6m h GLU 237 CO -0.01 1.02 -0.07 1.96 -0.73 0.00 0.00 179.01 181.18 1s6m h GLN 238 N 0.70 1.02 -0.53 1.92 4.20 -0.44 -2.36 115.11 119.62 1s6m h GLN 238 Ca 0.08 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.36 1s6m h GLN 238 Cb 0.86 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1s6m h GLN 238 CO 0.08 1.04 0.07 0.82 -0.67 0.00 0.00 178.83 180.17 1s6m h ILE 239 N 0.92 1.26 -0.39 2.54 2.04 -1.22 -2.50 117.51 120.14 1s6m h ILE 239 Ca 0.15 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 1s6m h ILE 239 Cb 0.63 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1s6m h ILE 239 CO 0.04 0.35 0.07 0.00 0.00 0.00 0.00 178.15 178.62 1s6m h ALA 240 N 0.98 1.40 -0.07 1.87 0.00 -1.22 -2.60 119.26 119.60 1s6m h ALA 240 Ca 0.16 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1s6m h ALA 240 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1s6m h ALA 240 CO 0.01 0.43 -0.59 1.49 0.00 0.00 0.00 179.25 180.59 1s6m h GLU 241 N 0.57 0.25 -0.17 0.00 4.81 -1.17 -2.51 114.58 116.35 1s6m h GLU 241 Ca 0.13 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1s6m h GLU 241 Cb 0.25 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1s6m h GLU 241 CO 0.00 0.77 0.06 2.35 -0.73 0.00 0.00 179.01 181.45 1s6m h TRP 242 N 0.18 0.27 -0.65 0.92 2.91 -1.08 -1.05 115.95 117.45 1s6m h TRP 242 Ca -0.00 -0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.00 1s6m h TRP 242 Cb 1.09 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.63 1s6m h TRP 242 CO 0.02 0.36 0.43 1.88 -1.03 0.00 0.00 178.44 180.10 1s6m h TYR 243 N 0.11 0.81 -0.58 2.65 0.05 -1.48 -2.51 116.97 116.01 1s6m h TYR 243 Ca 0.06 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1s6m h TYR 243 Cb 0.21 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1s6m h TYR 243 CO -0.00 0.50 0.28 0.00 -1.05 0.00 0.00 178.16 177.88 1s6m h ALA 244 N 1.25 0.75 -0.67 3.88 0.00 -1.26 0.36 119.26 123.57 1s6m h ALA 244 Ca 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1s6m h ALA 244 Cb -0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1s6m h ALA 244 CO -0.06 0.32 0.24 0.00 0.00 0.00 0.00 179.25 179.75 1s6m h ALA 245 N 1.11 1.16 -0.09 0.00 0.00 -0.95 -1.86 119.26 118.62 1s6m h ALA 245 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s6m h ALA 245 Cb 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1s6m h ALA 245 CO -0.02 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.36 1s6m n ARG 246 N -4.29 1.54 -2.21 0.00 5.12 -0.97 -4.93 116.66 110.92 1s6m n ARG 246 Ca 0.06 -0.80 -0.15 0.00 -1.93 0.00 0.00 57.85 55.03 1s6m n ARG 246 Cb 0.19 -1.40 -0.01 0.00 -1.16 0.00 0.00 32.46 30.08 1s6m n ARG 246 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s6m n GLY 247 N 1.07 -0.10 3.88 -0.13 0.00 -0.70 -5.01 105.19 104.20 1s6m n GLY 247 Ca 0.17 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1s6m n GLY 247 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6m s LEU 248 N -4.15 4.32 -0.30 0.99 2.01 0.04 -5.01 118.68 116.57 1s6m s LEU 248 Ca 0.00 0.69 -0.18 0.00 0.01 0.00 0.00 54.13 54.65 1s6m s LEU 248 Cb 0.00 -3.07 -0.02 0.00 0.01 0.00 0.00 46.19 43.11 1s6m s LEU 248 CO 0.00 0.14 0.53 -0.62 1.01 0.00 0.00 176.35 177.41 1s6m s ASP 249 N -1.99 6.40 0.61 2.29 3.68 -1.26 -4.53 116.67 121.86 1s6m s ASP 249 Ca 0.35 0.32 0.32 0.00 2.13 0.00 0.00 52.55 55.67 1s6m s ASP 249 Cb -0.13 -2.28 1.85 0.00 -1.45 0.00 0.00 42.92 40.91 1s6m s ASP 249 CO 0.20 -0.38 2.18 -0.65 0.13 0.00 0.00 175.17 176.65 1s6m h PRO 250 N 8.20 0.00 0.00 4.34 0.11 -1.98 -2.06 132.00 140.61 1s6m h PRO 250 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1s6m h PRO 250 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1s6m h PRO 250 CO 0.75 0.00 -0.05 -0.91 -0.21 0.00 0.00 178.00 177.57 1s6m h ASN 251 N 0.00 0.00 0.00 -2.05 2.35 -2.06 -3.34 115.58 110.48 1s6m h ASN 251 Ca 0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 1s6m h ASN 251 Cb 0.28 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.43 1s6m h ASN 251 CO -0.00 0.05 -0.79 -1.54 -1.65 0.00 0.00 177.43 173.50 1s6m n SER 252 N -3.15 1.30 -4.78 5.81 3.41 -0.78 -5.09 113.62 110.34 1s6m n SER 252 Ca 0.01 -2.82 -0.37 0.00 -0.26 0.00 0.00 58.87 55.44 1s6m n SER 252 Cb 0.40 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1s6m n SER 252 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1s6m s VAL 253 N -1.40 4.18 0.76 -3.33 -7.23 -1.18 -4.97 120.40 107.22 1s6m s VAL 253 Ca 0.35 1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 62.18 1s6m s VAL 253 Cb 0.38 -3.96 0.04 0.00 0.56 0.00 0.00 36.38 33.40 1s6m s VAL 253 CO -0.12 0.10 1.08 -0.94 -0.31 0.00 0.00 175.10 174.91 1s6m s SER 254 N -1.65 4.85 0.20 4.85 1.04 -1.26 -4.82 113.70 116.91 1s6m s SER 254 Ca 0.51 1.44 -0.10 0.00 0.48 0.00 0.00 55.95 58.28 1s6m s SER 254 Cb -0.18 -2.23 0.22 0.00 0.10 0.00 0.00 66.02 63.93 1s6m s SER 254 CO 0.23 -1.76 1.78 0.25 0.98 0.00 0.00 173.24 174.72 1s6m h LEU 255 N -0.94 0.40 -0.52 2.42 5.85 -1.99 -0.85 115.31 119.68 1s6m h LEU 255 Ca -0.46 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.36 1s6m h LEU 255 Cb 1.24 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1s6m h LEU 255 CO 0.58 0.26 0.23 -0.08 -0.34 0.00 0.00 178.44 179.09 1s6m h GLU 256 N 0.54 0.43 -0.32 1.25 4.81 -1.99 -0.26 114.58 119.04 1s6m h GLU 256 Ca 0.28 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1s6m h GLU 256 Cb 0.23 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1s6m h GLU 256 CO -0.21 0.29 -0.19 1.96 -0.73 0.00 0.00 179.01 180.12 1s6m h GLN 257 N 0.45 0.60 -0.01 1.92 4.20 -1.79 -1.39 115.11 119.09 1s6m h GLN 257 Ca 0.24 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1s6m h GLN 257 Cb 0.20 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1s6m h GLN 257 CO -0.20 0.76 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.50 1s6m h LYS 258 N 0.54 0.02 -0.75 1.46 3.64 -0.38 -1.66 116.57 119.44 1s6m h LYS 258 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1s6m h LYS 258 Cb 0.63 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 1s6m h LYS 258 CO 0.04 0.35 0.42 1.96 -2.27 0.00 0.00 179.45 179.96 1s6m h GLN 259 N -0.31 1.03 -0.60 1.90 4.20 -1.01 -1.84 115.11 118.49 1s6m h GLN 259 Ca 0.00 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1s6m h GLN 259 Cb 0.34 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1s6m h GLN 259 CO 0.00 0.74 0.25 0.00 -0.67 0.00 0.00 178.83 179.16 1s6m h ALA 260 N 1.43 0.77 -0.56 3.87 0.00 -1.12 0.11 119.26 123.76 1s6m h ALA 260 Ca 0.27 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1s6m h ALA 260 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1s6m h ALA 260 CO -0.05 0.37 0.04 0.00 0.00 0.00 0.00 179.25 179.62 1s6m h ALA 261 N 1.10 1.02 -0.02 0.00 0.00 -0.78 -0.70 119.26 119.88 1s6m h ALA 261 Ca 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1s6m h ALA 261 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1s6m h ALA 261 CO -0.02 0.62 -0.15 0.87 0.00 0.00 0.00 179.25 180.57 1s6m h LYS 262 N 0.87 0.13 -0.01 0.00 1.57 -1.05 -3.15 116.57 114.92 1s6m h LYS 262 Ca 0.17 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1s6m h LYS 262 Cb 0.45 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1s6m h LYS 262 CO 0.02 0.80 -0.02 0.28 -0.57 0.00 0.00 179.45 179.97 1s6m h VAL 263 N -0.49 1.40 0.00 0.50 2.07 -0.79 -3.33 116.25 115.60 1s6m h VAL 263 Ca -0.01 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1s6m h VAL 263 Cb 0.84 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1s6m h VAL 263 CO 0.03 0.31 0.00 -0.07 0.02 0.00 0.00 177.57 177.86 1s6m h LEU 264 N -0.45 0.00 -0.84 2.57 3.38 -1.30 -2.97 115.31 115.70 1s6m h LEU 264 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6m h LEU 264 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1s6m h LEU 264 CO 0.00 0.00 -0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1s6m n SER 265 N -2.74 1.31 -4.77 -0.43 3.41 -1.19 -4.92 113.62 104.29 1s6m n SER 265 Ca 0.02 -1.43 -0.39 0.00 -0.26 0.00 0.00 58.87 56.81 1s6m n SER 265 Cb 0.34 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1s6m n SER 265 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1s6m s ARG 266 N -2.00 4.46 0.30 4.33 0.52 -1.12 -4.94 118.95 120.49 1s6m s ARG 266 Ca 0.39 1.69 0.07 0.00 -0.52 0.00 0.00 55.73 57.36 1s6m s ARG 266 Cb 0.21 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 1s6m s ARG 266 CO 0.34 0.09 0.24 0.00 0.02 0.00 0.00 175.30 175.99 1s6m s ALA 267 N -1.35 3.72 0.33 2.13 0.00 -1.26 -5.09 121.76 120.23 1s6m s ALA 267 Ca 0.49 -1.55 -0.28 0.00 0.00 0.00 0.00 51.96 50.62 1s6m s ALA 267 Cb -0.28 -1.22 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 1s6m s ALA 267 CO 0.36 0.12 1.17 0.21 0.00 0.00 0.00 175.76 177.62 1s6m s LYS 268 N -3.92 4.40 -0.59 0.00 2.47 -1.26 -4.98 119.74 115.87 1s6m s LYS 268 Ca 0.37 1.91 -0.28 0.00 -1.56 0.00 0.00 55.97 56.42 1s6m s LYS 268 Cb -0.07 -3.01 0.02 0.00 -1.46 0.00 0.00 37.83 33.32 1s6m s LYS 268 CO 0.26 -0.04 1.33 0.21 0.16 0.00 0.00 175.35 177.27 1s6m s LYS 269 N -1.79 3.35 0.09 4.03 2.36 -1.26 -5.02 119.74 121.51 1s6m s LYS 269 Ca 0.49 0.31 0.07 0.00 -2.55 0.00 0.00 55.97 54.29 1s6m s LYS 269 Cb -0.33 -4.10 -0.04 0.00 -1.05 0.00 0.00 37.83 32.31 1s6m s LYS 269 CO 0.43 -1.88 -0.10 0.95 1.55 0.00 0.00 175.35 176.30 1s6m s THR 270 N 5.69 3.37 1.05 3.43 -4.23 -1.26 -5.13 115.64 118.56 1s6m s THR 270 Ca 0.47 -1.22 -0.13 0.00 -1.18 0.00 0.00 61.69 59.64 1s6m s THR 270 Cb -0.09 -2.56 0.22 0.00 1.34 0.00 0.00 72.50 71.40 1s6m s THR 270 CO 0.24 0.14 1.08 -0.94 -0.54 0.00 0.00 174.62 174.60 1s6m s SER 271 N -2.11 2.16 0.06 3.99 1.04 -1.26 -5.09 113.70 112.49 1s6m s SER 271 Ca 0.21 1.24 -0.05 0.00 0.48 0.00 0.00 55.95 57.83 1s6m s SER 271 Cb -0.11 -1.93 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 1s6m s SER 271 CO 0.13 -3.43 0.07 0.68 0.98 0.00 0.00 173.24 171.68 1s6m s VAL 272 N -2.85 0.17 -0.55 5.02 -7.23 -1.26 -5.10 120.40 108.59 1s6m s VAL 272 Ca 0.66 -1.37 -0.28 0.00 -1.81 0.00 0.00 61.98 59.18 1s6m s VAL 272 Cb -0.20 -1.23 0.03 0.00 0.56 0.00 0.00 36.38 35.54 1s6m s VAL 272 CO 0.59 -0.76 1.15 -0.62 -0.31 0.00 0.00 175.10 175.16 1s6m s ASP 273 N -2.60 6.49 0.34 4.85 -1.08 -1.26 -4.92 116.67 118.49 1s6m s ASP 273 Ca 0.02 0.17 0.04 0.00 -0.52 0.00 0.00 52.55 52.26 1s6m s ASP 273 Cb 0.04 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.63 1s6m s ASP 273 CO -0.08 -1.39 1.93 0.08 0.52 0.00 0.00 175.17 176.23 1s6m h ARG 274 N 9.43 0.82 -0.12 4.34 -0.00 -2.00 -1.73 114.38 125.11 1s6m h ARG 274 Ca -0.24 -0.05 -0.19 0.00 -0.00 0.00 0.00 59.98 59.49 1s6m h ARG 274 Cb 1.06 -0.18 0.00 0.00 -0.00 0.00 0.00 29.97 30.84 1s6m h ARG 274 CO 1.16 0.54 -0.72 1.49 -0.00 0.00 0.00 179.97 182.44 1s6m h GLU 275 N 0.84 0.57 -0.23 0.08 4.81 -2.00 -3.21 114.58 115.43 1s6m h GLU 275 Ca 0.35 -0.45 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 1s6m h GLU 275 Cb 0.29 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1s6m h GLU 275 CO -0.13 1.07 -0.45 0.00 -0.73 0.00 0.00 179.01 178.77 1s6m h ALA 276 N 0.81 0.79 -0.67 2.92 0.00 -1.90 -3.21 119.26 117.99 1s6m h ALA 276 Ca -0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1s6m h ALA 276 Cb 1.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1s6m h ALA 276 CO 0.13 0.66 0.36 1.25 0.00 0.00 0.00 179.25 181.65 1s6m h LEU 277 N 0.47 0.85 -0.58 0.00 5.85 -1.34 -2.07 115.31 118.50 1s6m h LEU 277 Ca 0.03 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1s6m h LEU 277 Cb 0.97 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1s6m h LEU 277 CO 0.09 0.71 0.36 -0.09 -0.34 0.00 0.00 178.44 179.17 1s6m h ARG 278 N 0.93 0.69 -0.30 1.25 1.12 -1.56 -0.65 114.38 115.86 1s6m h ARG 278 Ca 0.24 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 59.01 1s6m h ARG 278 Cb 0.06 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 29.84 1s6m h ARG 278 CO -0.04 0.46 -0.03 0.00 -3.11 0.00 0.00 179.97 177.25 1s6m h ALA 279 N 1.25 1.39 -0.41 2.80 0.00 -1.51 -1.74 119.26 121.03 1s6m h ALA 279 Ca 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1s6m h ALA 279 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1s6m h ALA 279 CO -0.09 0.42 0.09 1.49 0.00 0.00 0.00 179.25 181.16 1s6m h GLU 280 N 0.45 0.67 -0.19 0.00 4.81 -0.56 -2.10 114.58 117.67 1s6m h GLU 280 Ca 0.10 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1s6m h GLU 280 Cb 0.34 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1s6m h GLU 280 CO 0.01 0.70 -0.05 -1.49 -0.73 0.00 0.00 179.01 177.46 1s6m h TRP 281 N 0.53 -0.10 -0.83 0.92 6.55 -0.45 0.10 115.95 122.67 1s6m h TRP 281 Ca 0.13 0.02 0.04 0.00 0.95 0.00 0.00 58.89 60.02 1s6m h TRP 281 Cb 0.34 0.07 -0.05 0.00 -0.86 0.00 0.00 29.16 28.66 1s6m h TRP 281 CO 0.02 -0.08 0.53 1.96 -1.05 0.00 0.00 178.44 179.82 1s6m h GLN 282 N 0.00 0.99 -0.32 0.49 4.20 -1.24 0.12 115.11 119.36 1s6m h GLN 282 Ca 0.09 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 1s6m h GLN 282 Cb 0.14 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1s6m h GLN 282 CO -0.19 0.66 -0.42 0.00 -0.67 0.00 0.00 178.83 178.21 1s6m h ALA 283 N 1.35 0.66 -0.65 3.87 0.00 -1.02 -2.27 119.26 121.21 1s6m h ALA 283 Ca 0.34 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1s6m h ALA 283 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1s6m h ALA 283 CO -0.12 0.67 0.14 1.15 0.00 0.00 0.00 179.25 181.08 1s6m h THR 284 N 0.65 1.25 -0.63 0.00 2.02 -0.40 -2.07 112.91 113.72 1s6m h THR 284 Ca 0.05 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1s6m h THR 284 Cb 0.98 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1s6m h THR 284 CO 0.09 0.36 0.33 0.00 0.37 0.00 0.00 175.52 176.67 1s6m h ALA 285 N 1.16 0.81 -0.63 6.16 0.00 -0.55 -1.71 119.26 124.51 1s6m h ALA 285 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1s6m h ALA 285 Cb 0.38 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1s6m h ALA 285 CO 0.00 0.35 0.35 0.87 0.00 0.00 0.00 179.25 180.82 1s6m h LYS 286 N 0.87 0.88 -0.96 0.00 1.57 -1.18 -1.62 116.57 116.12 1s6m h LYS 286 Ca 0.22 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 1s6m h LYS 286 Cb 0.08 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.15 1s6m h LYS 286 CO -0.03 0.66 0.62 1.49 -0.57 0.00 0.00 179.45 181.63 1s6m h GLU 287 N 0.86 1.09 -0.00 3.15 4.22 -0.97 -0.00 114.58 122.92 1s6m h GLU 287 Ca 0.22 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.60 1s6m h GLU 287 Cb 0.04 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1s6m h GLU 287 CO -0.04 0.72 -0.00 1.28 -2.18 0.00 0.00 179.01 178.79 1s6m n LEU 288 N -4.49 0.22 -0.98 1.64 4.77 -0.68 -4.92 117.00 112.57 1s6m n LEU 288 Ca 0.15 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1s6m n LEU 288 Cb 0.18 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1s6m n LEU 288 CO 0.33 0.04 -0.11 0.61 -1.33 0.00 0.00 177.39 176.92 1s6m n GLY 289 N 1.04 0.10 3.71 -0.72 0.00 -0.02 -4.84 105.19 104.47 1s6m n GLY 289 Ca 0.23 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1s6m n GLY 289 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s6m s ILE 290 N -2.43 4.74 -0.28 -0.61 1.01 -0.65 -5.02 121.20 117.95 1s6m s ILE 290 Ca 0.00 1.97 -0.04 0.00 0.00 0.00 0.00 60.65 62.58 1s6m s ILE 290 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1s6m s ILE 290 CO 0.00 0.14 0.02 -0.62 0.00 0.00 0.00 174.94 174.48 1s6m s ASP 291 N 1.03 4.78 0.00 3.58 -1.08 -1.26 -4.73 116.67 118.99 1s6m s ASP 291 Ca 0.53 -0.88 0.27 0.00 -0.52 0.00 0.00 52.55 51.95 1s6m s ASP 291 Cb -0.22 -1.77 1.32 0.00 -1.46 0.00 0.00 42.92 40.78 1s6m s ASP 291 CO 0.28 -0.18 1.88 0.49 0.52 0.00 0.00 175.17 178.15 1s6m n PHE 292 N 4.75 0.03 0.49 -5.34 3.01 -1.26 -4.89 117.46 114.26 1s6m n PHE 292 Ca -0.15 -0.02 0.04 0.00 1.01 0.00 0.00 57.45 58.33 1s6m n PHE 292 Cb 0.47 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.17 1s6m n PHE 292 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20