#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8h s LYS 2 N 0.00 3.16 0.60 1.61 2.47 -1.26 -4.62 119.74 121.70 1k8h s LYS 2 Ca 0.00 2.03 0.00 0.00 -1.56 0.00 0.00 55.97 56.44 1k8h s LYS 2 Cb 0.00 -4.36 0.00 0.00 -1.46 0.00 0.00 37.83 32.01 1k8h s LYS 2 CO 0.00 -2.07 0.00 0.43 0.16 0.00 0.00 175.35 173.87 1k8h n SER 3 N 11.55 -7.85 -4.93 1.43 7.64 -1.26 -4.94 113.62 115.27 1k8h n SER 3 Ca 0.29 1.59 -0.26 0.00 1.01 0.00 0.00 58.87 61.51 1k8h n SER 3 Cb 0.45 -4.86 0.03 0.00 -1.01 0.00 0.00 64.21 58.82 1k8h n SER 3 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1k8h s ASP 4 N -6.40 5.53 -0.25 6.43 1.11 -1.26 -5.08 116.67 116.74 1k8h s ASP 4 Ca 0.00 0.57 -0.02 0.00 0.18 0.00 0.00 52.55 53.28 1k8h s ASP 4 Cb 0.00 -1.56 0.03 0.00 1.07 0.00 0.00 42.92 42.46 1k8h s ASP 4 CO 0.00 -1.07 -0.06 -0.75 1.18 0.00 0.00 175.17 174.48 1k8h s LYS 5 N -4.93 2.78 0.23 8.23 2.47 -1.26 -5.11 119.74 122.15 1k8h s LYS 5 Ca 0.54 -1.02 -0.12 0.00 -1.56 0.00 0.00 55.97 53.81 1k8h s LYS 5 Cb -0.10 -3.00 -0.07 0.00 -1.46 0.00 0.00 37.83 33.19 1k8h s LYS 5 CO 0.43 -0.43 0.59 0.96 0.16 0.00 0.00 175.35 177.06 1k8h s ILE 6 N 1.31 4.86 -0.21 5.43 -4.36 -1.26 -4.90 121.20 122.08 1k8h s ILE 6 Ca -0.01 0.65 -0.06 0.00 -0.26 0.00 0.00 60.65 60.97 1k8h s ILE 6 Cb -0.17 -3.65 -0.03 0.00 1.25 0.00 0.00 42.46 39.86 1k8h s ILE 6 CO -0.04 -0.02 0.04 -0.63 0.24 0.00 0.00 174.94 174.53 1k8h s ILE 7 N -1.77 4.27 0.31 8.37 1.01 -1.21 -5.05 121.20 127.14 1k8h s ILE 7 Ca 0.46 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.76 1k8h s ILE 7 Cb -0.12 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.32 1k8h s ILE 7 CO 0.20 0.41 0.72 -2.16 0.00 0.00 0.00 174.94 174.11 1k8h s PRO 8 N 1.01 4.00 0.28 2.79 0.04 -1.26 -1.97 135.00 139.90 1k8h s PRO 8 Ca 0.03 0.65 0.01 0.00 0.04 0.00 0.00 61.00 61.73 1k8h s PRO 8 Cb -0.14 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 1k8h s PRO 8 CO 0.02 0.18 0.29 0.42 0.04 0.00 0.00 177.00 177.96 1k8h s ILE 9 N -1.94 0.00 0.00 0.56 -1.09 -0.14 -4.92 121.20 113.67 1k8h s ILE 9 Ca 0.53 -1.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.10 1k8h s ILE 9 Cb -0.11 -2.50 0.00 0.00 -1.58 0.00 0.00 42.46 38.27 1k8h s ILE 9 CO 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 174.94 173.89 1k8h n ALA 10 N -0.48 0.00 -2.95 9.38 0.00 -1.24 -2.54 120.51 122.68 1k8h n ALA 10 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1k8h n ALA 10 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 1k8h n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k8h n GLU 11 N 0.00 -2.07 -4.10 0.00 1.02 -1.21 -4.94 120.64 109.33 1k8h n GLU 11 Ca 0.00 1.83 -0.10 0.00 -0.02 0.00 0.00 57.16 58.86 1k8h n GLU 11 Cb 0.00 -2.42 -0.08 0.00 -0.02 0.00 0.00 31.44 28.92 1k8h n GLU 11 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1k8h s ASN 12 N -0.62 0.11 -0.20 1.62 2.47 -1.18 -4.99 114.94 112.15 1k8h s ASN 12 Ca -0.06 -1.16 0.19 0.00 0.42 0.00 0.00 52.86 52.24 1k8h s ASN 12 Cb 0.00 0.42 0.41 0.00 -1.45 0.00 0.00 41.25 40.63 1k8h s ASN 12 CO 0.28 -0.89 1.22 0.29 -3.72 0.00 0.00 177.10 174.28 1k8h n LYS 13 N -0.25 1.10 -0.02 0.43 5.02 -1.26 -4.78 118.16 118.40 1k8h n LYS 13 Ca -0.02 -2.35 -0.13 0.00 -2.02 0.00 0.00 58.31 53.79 1k8h n LYS 13 Cb 0.64 -0.54 -0.10 0.00 -0.02 0.00 0.00 35.03 35.01 1k8h n LYS 13 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1k8h h GLU 14 N 1.59 0.03 -0.01 1.97 4.39 -1.98 -2.74 114.58 117.84 1k8h h GLU 14 Ca -0.28 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.41 1k8h h GLU 14 Cb 1.42 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.05 1k8h h GLU 14 CO 0.02 0.52 -0.25 0.00 -1.16 0.00 0.00 179.01 178.14 1k8h h ALA 15 N 0.52 -0.70 -0.52 3.43 0.00 -1.87 -1.00 119.26 119.12 1k8h h ALA 15 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1k8h h ALA 15 Cb 0.51 0.72 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1k8h h ALA 15 CO 0.00 -0.77 -0.09 -0.22 0.00 0.00 0.00 179.25 178.17 1k8h h LYS 16 N -0.30 0.03 -0.16 0.00 3.64 -1.69 0.90 116.57 118.98 1k8h h LYS 16 Ca 0.01 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1k8h h LYS 16 Cb 0.33 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1k8h h LYS 16 CO -0.17 0.02 -0.42 0.00 -2.27 0.00 0.00 179.45 176.61 1k8h h ALA 17 N 1.51 -0.57 -2.02 5.00 0.00 -1.14 -3.34 119.26 118.70 1k8h h ALA 17 Ca 0.26 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.62 1k8h h ALA 17 Cb 0.40 0.79 -0.39 0.00 0.00 0.00 0.00 17.79 18.58 1k8h h ALA 17 CO -0.51 -0.92 -1.08 1.17 0.00 0.00 0.00 179.25 177.92 1k8h n LYS 18 N -5.43 0.94 0.00 0.00 4.81 -0.41 -5.05 118.16 113.01 1k8h n LYS 18 Ca -0.04 -3.39 0.00 0.00 -0.87 0.00 0.00 58.31 54.02 1k8h n LYS 18 Cb 0.36 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.02 1k8h n LYS 18 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1k8h n TYR 19 N 1.14 0.00 -2.36 5.64 4.01 0.31 -4.80 117.16 121.10 1k8h n TYR 19 Ca 0.23 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.54 1k8h n TYR 19 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 1k8h n TYR 19 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1k8h s ASP 20 N 0.00 6.96 0.18 7.72 2.15 -1.26 -3.78 116.67 128.64 1k8h s ASP 20 Ca 0.00 1.93 -0.09 0.00 0.43 0.00 0.00 52.55 54.81 1k8h s ASP 20 Cb 0.00 -2.56 -0.07 0.00 -0.30 0.00 0.00 42.92 40.00 1k8h s ASP 20 CO 0.00 -0.65 0.50 -0.51 -0.17 0.00 0.00 175.17 174.34 1k8h s ILE 21 N 2.40 4.98 0.02 4.11 2.07 -1.26 -2.42 121.20 131.09 1k8h s ILE 21 Ca 0.59 0.44 0.00 0.00 -1.41 0.00 0.00 60.65 60.27 1k8h s ILE 21 Cb -0.27 -3.64 0.00 0.00 0.13 0.00 0.00 42.46 38.68 1k8h s ILE 21 CO 0.23 0.04 0.00 0.18 -1.91 0.00 0.00 174.94 173.48 1k8h n LEU 22 N 0.18 0.01 -4.61 8.50 4.77 -0.88 -5.00 117.00 119.96 1k8h n LEU 22 Ca -0.02 0.03 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 1k8h n LEU 22 Cb 0.52 0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 1k8h n LEU 22 CO 0.45 -0.52 -0.31 -0.70 -1.33 0.00 0.00 177.39 174.98 1k8h s GLU 23 N -1.06 1.97 0.19 3.23 2.12 -1.25 -5.01 118.70 118.89 1k8h s GLU 23 Ca 0.00 -1.94 -0.01 0.00 0.36 0.00 0.00 54.97 53.38 1k8h s GLU 23 Cb 0.00 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.58 1k8h s GLU 23 CO 0.00 0.05 0.14 0.95 -0.54 0.00 0.00 175.26 175.85 1k8h s THR 24 N -2.62 0.01 0.16 -1.70 -4.23 -1.26 -0.93 115.64 105.08 1k8h s THR 24 Ca 0.35 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1k8h s THR 24 Cb 0.04 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1k8h s THR 24 CO 0.18 -0.05 0.01 -0.31 -0.54 0.00 0.00 174.62 173.92 1k8h s TYR 25 N -4.14 1.13 -0.12 3.99 2.02 -0.68 -4.97 117.35 114.57 1k8h s TYR 25 Ca 0.37 -1.06 0.02 0.00 -0.37 0.00 0.00 57.07 56.02 1k8h s TYR 25 Cb 0.07 -0.64 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 1k8h s TYR 25 CO 0.11 -0.27 -0.16 -1.21 -1.57 0.00 0.00 175.55 172.44 1k8h s GLU 26 N -3.94 2.36 0.04 -0.62 0.41 -1.26 -2.73 118.70 112.96 1k8h s GLU 26 Ca 0.24 -0.61 0.04 0.00 -0.41 0.00 0.00 54.97 54.23 1k8h s GLU 26 Cb 0.06 -1.99 -0.02 0.00 -1.78 0.00 0.00 34.13 30.40 1k8h s GLU 26 CO 0.03 -0.06 -0.13 0.00 -0.49 0.00 0.00 175.26 174.61 1k8h s ALA 27 N 0.98 1.06 -0.12 5.21 0.00 -1.06 -4.72 121.76 123.10 1k8h s ALA 27 Ca -0.06 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1k8h s ALA 27 Cb -0.15 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1k8h s ALA 27 CO -0.02 0.17 -0.17 0.20 0.00 0.00 0.00 175.76 175.94 1k8h s GLY 28 N -1.26 1.14 0.25 0.00 0.00 -1.25 -0.93 107.32 105.27 1k8h s GLY 28 Ca -0.01 -0.85 -0.14 0.00 0.00 0.00 0.00 44.72 43.72 1k8h s GLY 28 CO 0.01 0.17 0.65 -1.50 0.00 0.00 0.00 173.10 172.44 1k8h s ILE 29 N 0.97 4.75 -0.17 0.90 1.10 0.10 -2.06 121.20 126.78 1k8h s ILE 29 Ca -0.06 0.88 -0.04 0.00 -0.51 0.00 0.00 60.65 60.92 1k8h s ILE 29 Cb -0.15 -3.69 0.08 0.00 0.15 0.00 0.00 42.46 38.85 1k8h s ILE 29 CO -0.02 0.00 0.21 0.54 -2.11 0.00 0.00 174.94 173.56 1k8h s VAL 30 N -1.75 -0.31 0.22 4.00 0.11 -1.26 -3.76 120.40 117.64 1k8h s VAL 30 Ca 0.47 0.02 -0.22 0.00 -2.93 0.00 0.00 61.98 59.32 1k8h s VAL 30 Cb -0.13 -0.57 0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1k8h s VAL 30 CO 0.19 -0.10 0.72 -1.48 -3.33 0.00 0.00 175.10 171.11 1k8h s LEU 31 N 2.32 -0.34 -0.19 2.54 2.34 -1.26 -5.00 118.68 119.09 1k8h s LEU 31 Ca 0.05 -0.38 -0.11 0.00 0.06 0.00 0.00 54.13 53.75 1k8h s LEU 31 Cb -0.15 2.59 0.06 0.00 -0.56 0.00 0.00 46.19 48.13 1k8h s LEU 31 CO -0.10 -1.15 0.46 -1.59 -1.06 0.00 0.00 176.35 172.91 1k8h s LYS 32 N -3.75 0.46 0.00 1.48 -2.85 -1.26 -4.92 119.74 108.89 1k8h s LYS 32 Ca 0.08 0.86 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 1k8h s LYS 32 Cb -0.04 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 1k8h s LYS 32 CO -0.00 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.71 1k8h n GLY 33 N 4.17 -0.79 0.00 0.59 0.00 -1.26 -4.97 105.19 102.94 1k8h n GLY 33 Ca -0.22 0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.35 1k8h n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k8h n SER 34 N 0.00 2.22 -0.01 1.61 2.88 -1.26 -4.67 113.62 114.39 1k8h n SER 34 Ca 0.00 -0.26 -0.13 0.00 -1.33 0.00 0.00 58.87 57.16 1k8h n SER 34 Cb 0.00 1.19 -0.09 0.00 -0.75 0.00 0.00 64.21 64.56 1k8h n SER 34 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1k8h h GLU 35 N 0.00 0.02 -0.41 -1.46 4.39 -1.99 -1.30 114.58 113.83 1k8h h GLU 35 Ca 0.00 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.78 1k8h h GLU 35 Cb 0.25 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.81 1k8h h GLU 35 CO 0.00 0.42 -0.20 -0.24 -1.16 0.00 0.00 179.01 177.83 1k8h h VAL 36 N -0.39 0.41 -0.01 3.13 3.04 -1.91 -1.90 116.25 118.61 1k8h h VAL 36 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1k8h h VAL 36 Cb 0.42 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.10 1k8h h VAL 36 CO 0.00 0.00 -0.01 0.50 -1.01 0.00 0.00 177.57 177.05 1k8h h LYS 37 N -0.13 0.02 -0.36 4.17 3.64 -1.83 -1.78 116.57 120.29 1k8h h LYS 37 Ca 0.20 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1k8h h LYS 37 Cb 0.43 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 1k8h h LYS 37 CO -0.49 0.57 -0.27 0.77 -2.27 0.00 0.00 179.45 177.76 1k8h h SER 38 N -0.52 -0.89 -0.07 4.20 0.02 -1.05 -0.13 113.55 115.12 1k8h h SER 38 Ca 0.00 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1k8h h SER 38 Cb 0.56 0.43 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 1k8h h SER 38 CO 0.00 -0.29 -0.08 0.25 -1.14 0.00 0.00 176.83 175.58 1k8h h LEU 39 N -0.22 0.18 -0.57 5.07 5.85 -1.46 -3.02 115.31 121.15 1k8h h LEU 39 Ca 0.17 -0.50 0.12 0.00 0.84 0.00 0.00 57.88 58.51 1k8h h LEU 39 Cb 0.49 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.37 1k8h h LEU 39 CO -0.49 0.65 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.06 1k8h h ARG 40 N -0.27 0.02 0.28 1.25 2.43 -0.98 -2.62 114.38 114.49 1k8h h ARG 40 Ca 0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1k8h h ARG 40 Cb 0.60 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1k8h h ARG 40 CO 0.02 0.02 -0.27 0.93 -1.51 0.00 0.00 179.97 179.16 1k8h h GLU 41 N 0.02 -0.52 -0.11 0.20 5.08 -1.07 -3.45 114.58 114.74 1k8h h GLU 41 Ca 0.28 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1k8h h GLU 41 Cb 0.43 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 29.65 1k8h h GLU 41 CO -0.56 -0.35 -0.09 1.17 -1.00 0.00 0.00 179.01 178.18 1k8h n LYS 42 N -3.97 0.07 -2.02 2.33 4.81 -1.02 -5.13 118.16 113.24 1k8h n LYS 42 Ca -0.06 -0.69 -0.33 0.00 -0.87 0.00 0.00 58.31 56.35 1k8h n LYS 42 Cb 0.25 0.21 0.02 0.00 0.02 0.00 0.00 35.03 35.53 1k8h n LYS 42 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1k8h s GLY 43 N 0.87 2.29 0.28 3.14 0.00 -1.02 -4.92 107.32 107.96 1k8h s GLY 43 Ca 0.23 0.57 0.10 0.00 0.00 0.00 0.00 44.72 45.63 1k8h s GLY 43 CO -0.11 0.92 -0.03 -1.59 0.00 0.00 0.00 173.10 172.29 1k8h s THR 44 N -2.21 3.18 -0.12 0.90 2.01 -1.25 -4.97 115.64 113.19 1k8h s THR 44 Ca 0.67 -1.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.63 1k8h s THR 44 Cb -0.20 -2.76 0.06 0.00 0.01 0.00 0.00 72.50 69.61 1k8h s THR 44 CO 0.35 -0.35 0.26 -0.69 -0.69 0.00 0.00 174.62 173.50 1k8h s VAL 45 N -2.38 -0.24 -0.03 3.82 1.01 -1.26 0.10 120.40 121.41 1k8h s VAL 45 Ca 0.32 0.22 0.23 0.00 0.00 0.00 0.00 61.98 62.75 1k8h s VAL 45 Cb -0.05 -0.42 0.42 0.00 0.00 0.00 0.00 36.38 36.33 1k8h s VAL 45 CO 0.19 0.09 1.18 -0.24 0.00 0.00 0.00 175.10 176.32 1k8h n SER 46 N 4.84 1.10 -2.66 3.32 2.88 -1.17 -4.95 113.62 116.99 1k8h n SER 46 Ca -0.15 -2.32 -0.03 0.00 -1.33 0.00 0.00 58.87 55.04 1k8h n SER 46 Cb 0.51 -0.34 0.04 0.00 -0.75 0.00 0.00 64.21 63.68 1k8h n SER 46 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1k8h n PHE 47 N 0.22 -0.23 -1.67 0.66 -0.00 -1.25 -5.12 117.46 110.07 1k8h n PHE 47 Ca 0.08 -0.55 -0.46 0.00 -0.00 0.00 0.00 57.45 56.52 1k8h n PHE 47 Cb 1.06 1.03 -0.04 0.00 -0.00 0.00 0.00 39.48 41.54 1k8h n PHE 47 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1k8h n LYS 48 N 2.46 2.07 -2.67 -4.13 5.02 -1.26 -3.76 118.16 115.90 1k8h n LYS 48 Ca 0.10 0.75 -0.03 0.00 -2.02 0.00 0.00 58.31 57.11 1k8h n LYS 48 Cb 0.67 -2.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.23 1k8h n LYS 48 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k8h s ASP 49 N 0.76 -0.22 -0.12 4.39 -1.08 -1.26 -4.94 116.67 114.19 1k8h s ASP 49 Ca 0.77 -0.26 0.02 0.00 -0.52 0.00 0.00 52.55 52.56 1k8h s ASP 49 Cb -0.69 0.29 0.01 0.00 -1.46 0.00 0.00 42.92 41.08 1k8h s ASP 49 CO 0.41 -0.01 -0.17 -0.94 0.52 0.00 0.00 175.17 174.98 1k8h s SER 50 N 1.03 2.65 0.04 -0.34 1.04 -1.26 -2.00 113.70 114.86 1k8h s SER 50 Ca 0.23 -0.48 0.04 0.00 0.48 0.00 0.00 55.95 56.22 1k8h s SER 50 Cb 0.13 -1.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.03 1k8h s SER 50 CO -0.11 0.03 -0.13 0.12 0.98 0.00 0.00 173.24 174.13 1k8h s PHE 51 N 0.98 1.12 -0.09 5.02 2.19 -0.06 -4.47 117.98 122.67 1k8h s PHE 51 Ca -0.06 -0.38 0.03 0.00 0.33 0.00 0.00 56.93 56.85 1k8h s PHE 51 Cb -0.15 -0.66 0.01 0.00 -1.31 0.00 0.00 43.02 40.91 1k8h s PHE 51 CO -0.02 0.02 -0.17 0.08 1.83 0.00 0.00 175.22 176.96 1k8h s VAL 52 N -0.96 1.55 0.01 3.12 1.01 -1.19 -1.29 120.40 122.64 1k8h s VAL 52 Ca -0.00 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1k8h s VAL 52 Cb -0.08 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1k8h s VAL 52 CO 0.01 0.45 -0.14 0.00 0.00 0.00 0.00 175.10 175.42 1k8h s ARG 53 N 0.67 1.06 -0.19 2.72 1.70 -0.94 -4.05 118.95 119.91 1k8h s ARG 53 Ca -0.13 -0.58 -0.19 0.00 -0.47 0.00 0.00 55.73 54.36 1k8h s ARG 53 Cb -0.16 -1.04 -0.03 0.00 -0.57 0.00 0.00 34.95 33.15 1k8h s ARG 53 CO 0.04 0.28 0.54 0.42 -1.08 0.00 0.00 175.30 175.49 1k8h s ILE 54 N -0.48 5.09 0.11 4.99 1.01 -1.26 -2.26 121.20 128.40 1k8h s ILE 54 Ca 0.04 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1k8h s ILE 54 Cb -0.06 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1k8h s ILE 54 CO 0.00 0.18 -0.01 -1.61 0.00 0.00 0.00 174.94 173.50 1k8h s GLU 55 N 1.60 0.87 1.48 2.79 0.41 -1.19 -4.93 118.70 119.73 1k8h s GLU 55 Ca 0.25 -1.38 0.00 0.00 -0.41 0.00 0.00 54.97 53.43 1k8h s GLU 55 Cb -0.16 0.01 0.00 0.00 -1.78 0.00 0.00 34.13 32.21 1k8h s GLU 55 CO 0.10 -0.14 0.00 -1.71 -0.49 0.00 0.00 175.26 173.02 1k8h n ASN 56 N -0.07 0.00 -0.17 -0.19 5.15 -1.26 -2.01 115.26 116.72 1k8h n ASN 56 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1k8h n ASN 56 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1k8h n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k8h n GLY 57 N 0.00 0.38 3.17 8.20 0.00 -1.26 -4.86 105.19 110.82 1k8h n GLY 57 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1k8h n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k8h s GLU 58 N 0.00 0.98 -0.10 1.61 8.01 -0.85 -4.61 118.70 123.75 1k8h s GLU 58 Ca 0.00 -1.48 -0.30 0.00 0.01 0.00 0.00 54.97 53.21 1k8h s GLU 58 Cb 0.00 0.19 -0.02 0.00 -4.31 0.00 0.00 34.13 29.99 1k8h s GLU 58 CO 0.00 -0.26 1.09 0.00 0.01 0.00 0.00 175.26 176.10 1k8h s ALA 59 N -4.02 3.47 -0.10 5.21 0.00 -1.17 -3.20 121.76 121.95 1k8h s ALA 59 Ca 0.26 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 1k8h s ALA 59 Cb 0.07 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1k8h s ALA 59 CO 0.03 -0.72 0.02 -1.58 0.00 0.00 0.00 175.76 173.52 1k8h s TRP 60 N 2.22 3.22 -0.13 0.00 0.52 -0.96 -2.22 118.94 121.60 1k8h s TRP 60 Ca 0.51 0.23 0.02 0.00 0.02 0.00 0.00 56.10 56.88 1k8h s TRP 60 Cb -0.21 -1.82 0.01 0.00 -1.15 0.00 0.00 33.47 30.30 1k8h s TRP 60 CO 0.19 0.49 -0.19 -1.17 0.02 0.00 0.00 176.95 176.28 1k8h s LEU 61 N -0.84 1.96 -0.12 2.99 2.96 -0.75 -2.22 118.68 122.66 1k8h s LEU 61 Ca 0.13 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1k8h s LEU 61 Cb -0.12 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.28 1k8h s LEU 61 CO 0.02 0.05 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.47 1k8h s TYR 62 N 0.91 2.15 0.22 5.38 5.04 -0.41 -1.12 117.35 129.53 1k8h s TYR 62 Ca -0.06 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.52 1k8h s TYR 62 Cb -0.15 -1.53 -0.05 0.00 0.35 0.00 0.00 41.96 40.58 1k8h s TYR 62 CO -0.02 -0.52 0.09 -0.80 -1.34 0.00 0.00 175.55 172.95 1k8h s ASN 63 N 0.98 0.83 -0.33 4.32 -0.87 -1.26 -0.88 114.94 117.72 1k8h s ASN 63 Ca -0.06 -1.35 0.06 0.00 -1.57 0.00 0.00 52.86 49.94 1k8h s ASN 63 Cb -0.15 0.23 0.23 0.00 -0.02 0.00 0.00 41.25 41.54 1k8h s ASN 63 CO -0.02 -0.74 1.20 -0.11 -2.57 0.00 0.00 177.10 174.85 1k8h n LEU 64 N -0.36 -1.42 -0.02 0.60 7.94 -0.85 -3.88 117.00 119.02 1k8h n LEU 64 Ca -0.01 -2.59 -0.02 0.00 -1.11 0.00 0.00 56.01 52.29 1k8h n LEU 64 Cb 0.66 0.43 -0.03 0.00 0.53 0.00 0.00 43.42 45.01 1k8h n LEU 64 CO 0.35 1.51 -0.61 0.00 -1.11 0.00 0.00 177.39 177.53 1k8h n TYR 65 N -0.62 0.00 -0.68 1.96 0.18 -1.25 -4.64 117.16 112.12 1k8h n TYR 65 Ca -0.14 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.33 1k8h n TYR 65 Cb 0.75 -0.17 0.17 0.00 -0.38 0.00 0.00 39.34 39.70 1k8h n TYR 65 CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 1k8h n ILE 66 N -2.10 0.00 -3.42 -3.48 3.06 -1.26 -3.02 119.36 109.14 1k8h n ILE 66 Ca -0.05 -0.05 -0.28 0.00 -2.50 0.00 0.00 62.75 59.87 1k8h n ILE 66 Cb 0.58 -0.94 -0.11 0.00 0.54 0.00 0.00 39.64 39.71 1k8h n ILE 66 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1k8h s ALA 67 N -2.59 1.16 0.91 1.51 0.00 0.29 -4.64 121.76 118.40 1k8h s ALA 67 Ca 0.65 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1k8h s ALA 67 Cb -0.23 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1k8h s ALA 67 CO 0.60 -2.04 0.00 -2.30 0.00 0.00 0.00 175.76 172.02 1k8h n PRO 68 N 3.42 1.04 -3.49 0.00 -0.02 -1.26 -3.96 135.00 130.73 1k8h n PRO 68 Ca 0.21 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.47 1k8h n PRO 68 Cb 0.43 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.91 1k8h n PRO 68 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1k8h s TYR 69 N -0.05 1.95 0.24 6.00 -0.85 -1.26 -4.95 117.35 118.44 1k8h s TYR 69 Ca 0.00 -0.68 0.01 0.00 -0.52 0.00 0.00 57.07 55.88 1k8h s TYR 69 Cb 0.00 -2.10 0.01 0.00 0.38 0.00 0.00 41.96 40.25 1k8h s TYR 69 CO 0.00 -0.57 0.10 1.63 -1.52 0.00 0.00 175.55 175.20 1k8h n LYS 70 N -1.85 1.26 -2.43 -3.49 4.01 -1.26 -4.94 118.16 109.46 1k8h n LYS 70 Ca 0.05 -1.64 -0.04 0.00 -0.51 0.00 0.00 58.31 56.17 1k8h n LYS 70 Cb 0.62 0.30 -0.04 0.00 -0.51 0.00 0.00 35.03 35.41 1k8h n LYS 70 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1k8h n HIS 71 N -0.86 -3.77 0.00 2.13 8.25 -1.26 -5.06 115.22 114.65 1k8h n HIS 71 Ca -0.05 2.13 0.00 0.00 -0.26 0.00 0.00 57.72 59.54 1k8h n HIS 71 Cb 0.29 -3.57 0.00 0.00 1.12 0.00 0.00 29.99 27.83 1k8h n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k8h n ALA 72 N 1.33 1.78 0.00 -1.41 0.00 -1.26 -5.09 120.51 115.85 1k8h n ALA 72 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1k8h n ALA 72 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1k8h n ALA 72 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1k8h n THR 73 N -1.40 0.00 -3.57 0.00 5.66 -1.26 -5.10 114.28 108.61 1k8h n THR 73 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1k8h n THR 73 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 1k8h n THR 73 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1k8h s ILE 74 N -1.00 -0.08 0.51 1.09 -4.36 -1.26 -5.11 121.20 111.00 1k8h s ILE 74 Ca 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.88 1k8h s ILE 74 Cb 0.00 -0.81 0.00 0.00 1.25 0.00 0.00 42.46 42.90 1k8h s ILE 74 CO 0.00 -0.54 0.00 1.21 0.24 0.00 0.00 174.94 175.85 1k8h n GLU 75 N 5.26 -3.08 -0.89 0.37 2.13 -1.26 -4.47 120.64 118.70 1k8h n GLU 75 Ca -0.06 2.37 0.07 0.00 0.66 0.00 0.00 57.16 60.19 1k8h n GLU 75 Cb 0.45 -3.68 0.40 0.00 0.27 0.00 0.00 31.44 28.88 1k8h n GLU 75 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1k8h n ASN 76 N -4.34 5.70 -1.16 4.31 0.23 -1.26 -4.74 115.26 113.99 1k8h n ASN 76 Ca -0.05 -2.92 0.15 0.00 -0.53 0.00 0.00 54.58 51.23 1k8h n ASN 76 Cb 0.68 -0.69 -0.04 0.00 -2.08 0.00 0.00 39.78 37.65 1k8h n ASN 76 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1k8h n HIS 77 N 0.63 -2.81 -3.67 -2.53 8.25 -1.26 -4.87 115.22 108.95 1k8h n HIS 77 Ca 0.28 1.44 -0.22 0.00 -0.26 0.00 0.00 57.72 58.95 1k8h n HIS 77 Cb 1.19 -2.56 -0.02 0.00 1.12 0.00 0.00 29.99 29.73 1k8h n HIS 77 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1k8h s ASP 78 N -5.93 6.31 0.00 0.41 1.47 -1.26 -5.06 116.67 112.61 1k8h s ASP 78 Ca 0.00 0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.99 1k8h s ASP 78 Cb 0.00 -1.95 0.00 0.00 -0.34 0.00 0.00 42.92 40.63 1k8h s ASP 78 CO 0.00 -0.18 0.99 -2.65 0.68 0.00 0.00 175.17 174.00 1k8h n PRO 79 N -1.60 0.00 -4.12 2.11 -0.02 -1.26 -4.78 135.00 125.32 1k8h n PRO 79 Ca -0.07 0.60 -0.18 0.00 -2.02 0.00 0.00 63.50 61.83 1k8h n PRO 79 Cb 0.57 -1.49 -0.16 0.00 -0.02 0.00 0.00 33.50 32.40 1k8h n PRO 79 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k8h s LEU 80 N -4.36 1.47 0.45 2.45 1.43 -1.25 -4.74 118.68 114.14 1k8h s LEU 80 Ca 0.00 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1k8h s LEU 80 Cb 0.00 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.87 1k8h s LEU 80 CO 0.00 -0.03 0.51 -0.13 0.23 0.00 0.00 176.35 176.93 1k8h s ARG 81 N 0.66 2.57 0.17 1.70 0.52 -1.26 -4.44 118.95 118.86 1k8h s ARG 81 Ca -0.08 -1.50 -0.32 0.00 -0.52 0.00 0.00 55.73 53.32 1k8h s ARG 81 Cb -0.11 -2.52 -0.11 0.00 0.52 0.00 0.00 34.95 32.73 1k8h s ARG 81 CO -0.00 -0.36 1.74 -1.59 0.02 0.00 0.00 175.30 175.10 1k8h s LYS 82 N -4.30 4.14 -0.15 3.54 0.00 -1.26 -4.48 119.74 117.23 1k8h s LYS 82 Ca 0.51 2.56 0.01 0.00 0.00 0.00 0.00 55.97 59.06 1k8h s LYS 82 Cb -0.06 -3.30 0.00 0.00 0.00 0.00 0.00 37.83 34.48 1k8h s LYS 82 CO 0.31 -0.77 -0.18 1.03 0.00 0.00 0.00 175.35 175.73 1k8h s ARG 83 N 1.81 3.12 0.00 1.78 0.52 -0.27 -5.02 118.95 120.89 1k8h s ARG 83 Ca 0.76 -0.80 -0.21 0.00 -0.52 0.00 0.00 55.73 54.97 1k8h s ARG 83 Cb -0.47 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.40 1k8h s ARG 83 CO 0.33 -0.01 0.60 -1.59 0.02 0.00 0.00 175.30 174.66 1k8h s LYS 84 N 0.85 4.32 -0.05 3.54 0.00 -1.26 -1.81 119.74 125.33 1k8h s LYS 84 Ca -0.05 0.75 0.04 0.00 0.00 0.00 0.00 55.97 56.71 1k8h s LYS 84 Cb -0.15 -3.34 -0.00 0.00 0.00 0.00 0.00 37.83 34.34 1k8h s LYS 84 CO -0.02 0.38 -0.16 -0.51 0.00 0.00 0.00 175.35 175.05 1k8h s LEU 85 N -0.25 1.87 1.02 2.77 1.02 -0.94 -4.21 118.68 119.96 1k8h s LEU 85 Ca 0.31 -0.33 -0.13 0.00 0.02 0.00 0.00 54.13 54.00 1k8h s LEU 85 Cb -0.18 -0.91 0.14 0.00 0.02 0.00 0.00 46.19 45.25 1k8h s LEU 85 CO 0.18 0.13 0.73 0.18 0.02 0.00 0.00 176.35 177.58 1k8h n LEU 86 N 3.25 0.39 -3.61 1.79 4.77 -0.88 -3.07 117.00 119.66 1k8h n LEU 86 Ca -0.19 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1k8h n LEU 86 Cb 0.53 -1.27 -0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1k8h n LEU 86 CO 0.25 -2.98 1.08 -0.22 -1.33 0.00 0.00 177.39 174.20 1k8h s LEU 87 N -4.35 -0.05 0.00 2.23 2.96 -1.26 -3.78 118.68 114.43 1k8h s LEU 87 Ca 0.63 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1k8h s LEU 87 Cb -0.21 1.33 0.00 0.00 0.50 0.00 0.00 46.19 47.81 1k8h s LEU 87 CO 0.64 -0.25 0.01 1.57 -1.32 0.00 0.00 176.35 176.99 1k8h n HIS 88 N -0.47 -2.47 -0.02 5.38 -0.00 -1.26 -4.91 115.22 111.48 1k8h n HIS 88 Ca -0.08 -0.01 -0.04 0.00 0.46 0.00 0.00 57.72 58.05 1k8h n HIS 88 Cb 0.63 -0.01 -0.02 0.00 -0.12 0.00 0.00 29.99 30.47 1k8h n HIS 88 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1k8h n LYS 89 N -1.80 0.09 -0.02 1.57 4.81 -1.26 -4.46 118.16 117.09 1k8h n LYS 89 Ca 0.00 0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 1k8h n LYS 89 Cb 0.00 -0.80 -0.10 0.00 0.02 0.00 0.00 35.03 34.16 1k8h n LYS 89 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1k8h h ARG 90 N -0.10 0.01 0.13 1.64 2.43 -1.96 -3.13 114.38 113.41 1k8h h ARG 90 Ca -0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1k8h h ARG 90 Cb 1.11 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1k8h h ARG 90 CO -0.05 0.55 -0.13 0.93 -1.51 0.00 0.00 179.97 179.76 1k8h h GLU 91 N -0.52 -0.27 -0.54 0.20 5.08 -1.98 -2.91 114.58 113.64 1k8h h GLU 91 Ca 0.00 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1k8h h GLU 91 Cb 0.55 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 1k8h h GLU 91 CO 0.00 -0.18 -0.09 -0.84 -1.00 0.00 0.00 179.01 176.90 1k8h h ILE 92 N -0.28 0.50 0.12 3.13 -0.00 -1.78 0.02 117.51 119.21 1k8h h ILE 92 Ca 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 64.86 64.85 1k8h h ILE 92 Cb 0.27 0.46 -0.01 0.00 -0.00 0.00 0.00 36.82 37.54 1k8h h ILE 92 CO -0.04 0.01 -0.15 -0.03 -0.00 0.00 0.00 178.15 177.94 1k8h h MET 93 N 0.04 -0.27 -0.20 0.16 4.05 -1.46 -0.87 114.93 116.38 1k8h h MET 93 Ca 0.26 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.76 1k8h h MET 93 Cb 0.41 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.21 1k8h h MET 93 CO -0.52 -0.18 -0.25 -0.09 0.23 0.00 0.00 176.91 176.11 1k8h h ARG 94 N -0.28 -0.27 -0.16 0.39 2.43 -1.36 -2.48 114.38 112.65 1k8h h ARG 94 Ca -0.01 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1k8h h ARG 94 Cb 0.25 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.79 1k8h h ARG 94 CO -0.04 -0.18 -0.41 -0.07 -1.51 0.00 0.00 179.97 177.76 1k8h h LEU 95 N -0.28 -1.30 -0.51 3.80 3.38 -0.96 -1.43 115.31 118.02 1k8h h LEU 95 Ca 0.12 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.37 1k8h h LEU 95 Cb 0.46 0.54 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 1k8h h LEU 95 CO -0.35 -0.42 -0.13 0.22 0.09 0.00 0.00 178.44 177.85 1k8h h TYR 96 N -0.47 -0.27 0.01 1.13 3.20 -0.91 -0.19 116.97 119.47 1k8h h TYR 96 Ca 0.08 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1k8h h TYR 96 Cb 0.62 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1k8h h TYR 96 CO -0.49 -0.22 -0.01 0.78 -1.64 0.00 0.00 178.16 176.58 1k8h h GLY 97 N 0.00 -0.02 0.00 1.82 0.00 -0.97 -1.92 103.07 101.98 1k8h h GLY 97 Ca 0.24 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.61 1k8h h GLY 97 CO -0.52 -0.01 -0.50 0.50 0.00 0.00 0.00 176.54 176.02 1k8h h LYS 98 N -0.02 -0.59 -0.51 4.80 1.57 -1.26 -0.69 116.57 119.87 1k8h h LYS 98 Ca -0.00 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1k8h h LYS 98 Cb 0.01 0.13 -0.10 0.00 0.08 0.00 0.00 32.23 32.36 1k8h h LYS 98 CO 0.00 -0.39 -0.10 0.28 -0.57 0.00 0.00 179.45 178.67 1k8h h VAL 99 N -0.61 0.50 0.14 0.50 2.07 -1.15 -0.47 116.25 117.23 1k8h h VAL 99 Ca 0.04 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1k8h h VAL 99 Cb 0.69 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1k8h h VAL 99 CO -0.38 0.00 -0.07 -0.61 0.02 0.00 0.00 177.57 176.54 1k8h h GLN 100 N 0.02 -0.18 0.08 1.57 5.75 -0.98 0.97 115.11 122.35 1k8h h GLN 100 Ca 0.25 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1k8h h GLN 100 Cb 0.38 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1k8h h GLN 100 CO -0.51 -0.12 -0.04 0.93 -2.65 0.00 0.00 178.83 176.44 1k8h h GLU 101 N -0.29 -0.10 -0.57 1.69 5.08 -1.18 -3.16 114.58 116.04 1k8h h GLU 101 Ca -0.02 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1k8h h GLU 101 Cb 0.14 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.31 1k8h h GLU 101 CO 0.03 -0.00 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.71 1k8h h LYS 102 N -0.17 0.03 0.00 2.33 3.64 -1.22 -3.45 116.57 117.73 1k8h h LYS 102 Ca -0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1k8h h LYS 102 Cb 0.14 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1k8h h LYS 102 CO 0.02 0.02 0.00 0.41 -2.27 0.00 0.00 179.45 177.62 1k8h n GLY 103 N -1.38 0.08 3.28 5.01 0.00 -1.19 -5.09 105.19 105.89 1k8h n GLY 103 Ca 0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1k8h n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k8h s TYR 104 N 0.00 1.36 0.09 1.61 1.51 0.34 -4.33 117.35 117.93 1k8h s TYR 104 Ca 0.00 -0.92 0.01 0.00 -1.01 0.00 0.00 57.07 55.15 1k8h s TYR 104 Cb 0.00 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1k8h s TYR 104 CO 0.00 -0.08 -0.06 -0.08 -1.11 0.00 0.00 175.55 174.22 1k8h s THR 105 N -3.49 0.62 -0.03 -0.71 -1.32 -1.11 -4.20 115.64 105.40 1k8h s THR 105 Ca 0.24 -1.92 0.07 0.00 -1.21 0.00 0.00 61.69 58.87 1k8h s THR 105 Cb 0.05 -1.67 -0.02 0.00 -1.51 0.00 0.00 72.50 69.36 1k8h s THR 105 CO 0.05 -0.89 -0.23 -0.63 -2.21 0.00 0.00 174.62 170.71 1k8h s ILE 106 N -3.67 1.83 0.08 5.08 1.09 -1.26 -2.46 121.20 121.90 1k8h s ILE 106 Ca 0.11 -0.98 0.03 0.00 -1.10 0.00 0.00 60.65 58.71 1k8h s ILE 106 Cb 0.06 -1.53 -0.03 0.00 -1.06 0.00 0.00 42.46 39.89 1k8h s ILE 106 CO -0.05 0.52 -0.08 0.27 -0.10 0.00 0.00 174.94 175.49 1k8h s ILE 107 N -0.42 0.75 0.46 2.92 -5.25 -1.09 -3.16 121.20 115.41 1k8h s ILE 107 Ca 0.05 -1.58 -0.11 0.00 -0.99 0.00 0.00 60.65 58.02 1k8h s ILE 107 Cb -0.10 -1.26 -0.06 0.00 2.95 0.00 0.00 42.46 43.99 1k8h s ILE 107 CO 0.00 -0.61 0.84 -2.16 -1.79 0.00 0.00 174.94 171.22 1k8h s PRO 108 N -2.80 3.75 0.00 0.37 0.04 -1.26 -1.39 135.00 133.71 1k8h s PRO 108 Ca 0.03 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1k8h s PRO 108 Cb -0.02 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1k8h s PRO 108 CO -0.01 -0.17 0.00 -0.11 0.04 0.00 0.00 177.00 176.74 1k8h n LEU 109 N -1.69 0.00 -4.09 -3.56 7.94 -0.15 -4.80 117.00 110.65 1k8h n LEU 109 Ca 0.03 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.65 1k8h n LEU 109 Cb 0.54 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.32 1k8h n LEU 109 CO 0.50 0.00 -0.50 -1.59 -1.11 0.00 0.00 177.39 174.68 1k8h s LYS 110 N 0.79 2.27 -0.11 1.96 -2.85 -1.25 -3.09 119.74 117.45 1k8h s LYS 110 Ca 0.00 -0.59 0.02 0.00 -1.00 0.00 0.00 55.97 54.39 1k8h s LYS 110 Cb 0.00 -1.85 0.02 0.00 -2.06 0.00 0.00 37.83 33.94 1k8h s LYS 110 CO 0.00 0.02 -0.15 -0.48 0.10 0.00 0.00 175.35 174.83 1k8h s LEU 111 N 0.75 1.73 0.02 2.77 2.34 -1.05 -2.73 118.68 122.50 1k8h s LEU 111 Ca -0.12 -0.44 0.04 0.00 0.06 0.00 0.00 54.13 53.68 1k8h s LEU 111 Cb -0.16 -1.11 -0.02 0.00 -0.56 0.00 0.00 46.19 44.34 1k8h s LEU 111 CO 0.02 0.01 -0.13 -0.72 -1.06 0.00 0.00 176.35 174.47 1k8h s TYR 112 N 1.04 1.16 -0.21 3.48 -0.85 -1.06 -0.97 117.35 119.94 1k8h s TYR 112 Ca -0.05 -0.29 -0.06 0.00 -0.52 0.00 0.00 57.07 56.15 1k8h s TYR 112 Cb -0.15 -0.71 -0.03 0.00 0.38 0.00 0.00 41.96 41.46 1k8h s TYR 112 CO -0.03 0.01 0.02 1.67 -1.52 0.00 0.00 175.55 175.71 1k8h s TRP 113 N -0.62 3.07 0.06 -3.49 -2.14 -0.83 -1.81 118.94 113.18 1k8h s TRP 113 Ca 0.03 -0.40 0.07 0.00 2.66 0.00 0.00 56.10 58.46 1k8h s TRP 113 Cb -0.07 -2.12 -0.04 0.00 -3.10 0.00 0.00 33.47 28.15 1k8h s TRP 113 CO 0.00 -0.23 -0.14 -1.59 -2.66 0.00 0.00 176.95 172.33 1k8h s LYS 114 N 1.10 2.14 0.00 3.25 -2.85 -0.41 -3.29 119.74 119.68 1k8h s LYS 114 Ca 0.03 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 54.04 1k8h s LYS 114 Cb -0.14 -2.27 0.00 0.00 -2.06 0.00 0.00 37.83 33.36 1k8h s LYS 114 CO 0.02 0.54 0.00 -1.71 0.10 0.00 0.00 175.35 174.30 1k8h n ASN 115 N 1.28 0.00 0.00 0.03 5.15 -1.26 -2.72 115.26 117.73 1k8h n ASN 115 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1k8h n ASN 115 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1k8h n ASN 115 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1k8h n ASN 116 N 2.27 0.00 -4.14 1.20 2.85 -1.26 -5.17 115.26 111.01 1k8h n ASN 116 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 1k8h n ASN 116 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 1k8h n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1k8h s LYS 117 N 0.00 0.78 0.21 1.20 3.01 -1.10 -4.94 119.74 118.89 1k8h s LYS 117 Ca 0.00 -1.32 -0.03 0.00 -1.01 0.00 0.00 55.97 53.61 1k8h s LYS 117 Cb 0.00 0.01 -0.05 0.00 -1.01 0.00 0.00 37.83 36.78 1k8h s LYS 117 CO 0.00 -0.09 0.43 0.08 0.51 0.00 0.00 175.35 176.28 1k8h s VAL 118 N -3.80 5.14 -0.12 3.17 1.01 -1.25 -1.29 120.40 123.27 1k8h s VAL 118 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1k8h s VAL 118 Cb 0.07 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1k8h s VAL 118 CO -0.05 -0.15 -0.15 -0.54 0.00 0.00 0.00 175.10 174.21 1k8h s LYS 119 N -3.18 2.26 -0.14 2.72 1.02 -0.75 -0.72 119.74 120.96 1k8h s LYS 119 Ca 0.41 -0.57 -0.02 0.00 0.02 0.00 0.00 55.97 55.81 1k8h s LYS 119 Cb -0.11 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.21 1k8h s LYS 119 CO 0.28 -0.11 -0.06 0.08 -0.92 0.00 0.00 175.35 174.62 1k8h s VAL 120 N 1.12 3.71 -0.24 3.17 1.01 -0.10 -2.56 120.40 126.51 1k8h s VAL 120 Ca -0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1k8h s VAL 120 Cb -0.14 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1k8h s VAL 120 CO -0.04 0.52 0.17 -0.22 0.00 0.00 0.00 175.10 175.53 1k8h s LEU 121 N 0.16 4.11 -0.09 3.92 2.96 -1.11 -2.58 118.68 126.05 1k8h s LEU 121 Ca -0.03 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1k8h s LEU 121 Cb -0.14 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 1k8h s LEU 121 CO 0.03 0.05 -0.08 0.27 -1.32 0.00 0.00 176.35 175.30 1k8h s ILE 122 N 1.11 3.57 -0.18 6.68 -0.00 -1.10 -0.98 121.20 130.29 1k8h s ILE 122 Ca 0.08 -0.51 -0.03 0.00 -0.00 0.00 0.00 60.65 60.19 1k8h s ILE 122 Cb -0.14 -2.48 -0.02 0.00 -0.00 0.00 0.00 42.46 39.83 1k8h s ILE 122 CO 0.05 0.56 -0.07 0.00 -0.00 0.00 0.00 174.94 175.49 1k8h s ALA 123 N -0.38 2.81 -0.17 2.27 0.00 -0.48 -1.69 121.76 124.11 1k8h s ALA 123 Ca 0.05 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.80 1k8h s ALA 123 Cb -0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1k8h s ALA 123 CO 0.02 -0.07 0.65 -1.17 0.00 0.00 0.00 175.76 175.18 1k8h s LEU 124 N 0.88 4.18 0.18 0.00 2.96 -0.10 -2.69 118.68 124.08 1k8h s LEU 124 Ca -0.02 0.91 0.07 0.00 -0.22 0.00 0.00 54.13 54.87 1k8h s LEU 124 Cb -0.15 -2.93 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 1k8h s LEU 124 CO 0.01 -0.25 -0.14 0.00 -1.32 0.00 0.00 176.35 174.66 1k8h s ALA 125 N 1.70 1.84 0.17 5.97 0.00 -1.03 -2.08 121.76 128.34 1k8h s ALA 125 Ca 0.30 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 1k8h s ALA 125 Cb -0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 1k8h s ALA 125 CO 0.11 0.04 0.51 0.21 0.00 0.00 0.00 175.76 176.64 1k8h s LYS 126 N -3.53 3.85 -0.59 0.00 2.36 -1.02 -2.76 119.74 118.05 1k8h s LYS 126 Ca 0.20 0.32 -0.26 0.00 -2.55 0.00 0.00 55.97 53.67 1k8h s LYS 126 Cb -0.01 -2.82 -0.04 0.00 -1.05 0.00 0.00 37.83 33.91 1k8h s LYS 126 CO 0.05 0.43 2.08 0.20 1.55 0.00 0.00 175.35 179.65 1k8h s GLY 127 N -2.03 -0.06 0.00 5.54 0.00 -1.26 -4.35 107.32 105.15 1k8h s GLY 127 Ca 0.41 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1k8h s GLY 127 CO 0.20 3.71 0.00 0.28 0.00 0.00 0.00 173.10 177.29 1k8h n LYS 128 N 9.10 0.00 -4.18 2.90 5.02 -1.26 -4.82 118.16 124.92 1k8h n LYS 128 Ca 0.28 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.33 1k8h n LYS 128 Cb 0.53 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.37 1k8h n LYS 128 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1k8h s LYS 129 N 0.00 1.37 -0.09 1.97 -2.85 -1.26 -4.85 119.74 114.03 1k8h s LYS 129 Ca 0.00 -0.25 0.20 0.00 -1.00 0.00 0.00 55.97 54.92 1k8h s LYS 129 Cb 0.00 -1.32 0.42 0.00 -2.06 0.00 0.00 37.83 34.87 1k8h s LYS 129 CO 0.00 -0.13 1.19 1.28 0.10 0.00 0.00 175.35 177.79 1k8h n LEU 130 N 4.39 1.69 -4.89 2.77 4.32 -1.26 -5.08 117.00 118.93 1k8h n LEU 130 Ca -0.18 -2.76 -0.27 0.00 -0.02 0.00 0.00 56.01 52.78 1k8h n LEU 130 Cb 0.51 -0.22 -0.01 0.00 -1.62 0.00 0.00 43.42 42.08 1k8h n LEU 130 CO 0.20 0.86 0.03 -0.72 -1.22 0.00 0.00 177.39 176.54 1k8h s TYR 131 N -1.32 1.68 -0.15 -1.77 -0.85 -1.26 -4.97 117.35 108.71 1k8h s TYR 131 Ca 0.35 -0.84 -0.11 0.00 -0.52 0.00 0.00 57.07 55.96 1k8h s TYR 131 Cb 0.38 -1.90 0.04 0.00 0.38 0.00 0.00 41.96 40.86 1k8h s TYR 131 CO -0.13 -0.41 0.21 -3.47 -1.52 0.00 0.00 175.55 170.23 1k8h n ASP 132 N -1.72 -1.88 -0.50 -0.18 2.03 -1.26 -5.31 116.55 107.73 1k8h n ASP 132 Ca -0.03 1.45 0.14 0.00 0.52 0.00 0.00 54.79 56.87 1k8h n ASP 132 Cb 0.64 -5.29 0.51 0.00 -0.72 0.00 0.00 41.12 36.26 1k8h n ASP 132 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82