#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 1.19 -0.39 1.61 2.20 -1.26 -5.05 119.74 118.05 1k8h s LYS 2 Ca 0.00 -2.25 0.01 0.00 -0.36 0.00 0.00 55.97 53.37 1k8h s LYS 2 Cb 0.00 -1.86 0.12 0.00 -1.51 0.00 0.00 37.83 34.58 1k8h s LYS 2 CO 0.00 -1.33 0.17 -1.12 -0.36 0.00 0.00 175.35 172.71 1k8h s SER 3 N -0.09 3.86 0.46 1.43 0.01 -1.26 -5.12 113.70 112.99 1k8h s SER 3 Ca 0.28 -2.24 -0.04 0.00 1.31 0.00 0.00 55.95 55.26 1k8h s SER 3 Cb -0.03 -1.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 1k8h s SER 3 CO -0.15 -0.33 0.75 -0.62 0.41 0.00 0.00 173.24 173.30 1k8h s ASP 4 N 0.85 6.23 -0.39 2.44 2.15 -1.26 -5.08 116.67 121.61 1k8h s ASP 4 Ca 0.14 0.82 0.05 0.00 0.43 0.00 0.00 52.55 53.99 1k8h s ASP 4 Cb -0.22 -2.17 0.18 0.00 -0.30 0.00 0.00 42.92 40.41 1k8h s ASP 4 CO -0.09 -0.55 0.71 -0.54 -0.17 0.00 0.00 175.17 174.52 1k8h s LYS 5 N -4.67 0.70 0.58 4.34 1.02 -1.26 -5.16 119.74 115.29 1k8h s LYS 5 Ca 0.46 -0.22 -0.02 0.00 0.02 0.00 0.00 55.97 56.21 1k8h s LYS 5 Cb -0.10 0.09 0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1k8h s LYS 5 CO 0.43 -1.02 0.85 0.96 -0.92 0.00 0.00 175.35 175.65 1k8h s ILE 6 N 1.87 2.96 -0.15 2.17 -5.25 -1.26 -4.94 121.20 116.60 1k8h s ILE 6 Ca 0.16 -0.40 0.01 0.00 -0.99 0.00 0.00 60.65 59.43 1k8h s ILE 6 Cb -0.03 -3.16 0.01 0.00 2.95 0.00 0.00 42.46 42.23 1k8h s ILE 6 CO -0.08 -0.14 -0.19 -0.63 -1.79 0.00 0.00 174.94 172.10 1k8h s ILE 7 N -2.91 2.29 0.13 8.37 1.09 -1.19 -5.07 121.20 123.92 1k8h s ILE 7 Ca 0.56 -0.90 -0.19 0.00 -1.10 0.00 0.00 60.65 59.03 1k8h s ILE 7 Cb -0.10 -1.94 -0.07 0.00 -1.06 0.00 0.00 42.46 39.28 1k8h s ILE 7 CO 0.41 0.53 0.62 -2.16 -0.10 0.00 0.00 174.94 174.24 1k8h s PRO 8 N 0.86 4.18 0.17 2.79 0.04 -1.26 -2.25 135.00 139.54 1k8h s PRO 8 Ca -0.05 0.74 -0.01 0.00 0.04 0.00 0.00 61.00 61.71 1k8h s PRO 8 Cb -0.15 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1k8h s PRO 8 CO -0.02 0.54 0.10 0.42 0.04 0.00 0.00 177.00 178.08 1k8h s ILE 9 N -1.30 0.05 0.48 0.56 -1.09 -0.91 -4.95 121.20 114.05 1k8h s ILE 9 Ca 0.35 -1.96 0.00 0.00 -2.23 0.00 0.00 60.65 56.80 1k8h s ILE 9 Cb -0.18 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1k8h s ILE 9 CO 0.20 -0.19 0.00 0.00 -1.23 0.00 0.00 174.94 173.72 1k8h n ALA 10 N -0.20 -2.90 0.00 9.38 0.00 -1.23 -2.17 120.51 123.39 1k8h n ALA 10 Ca -0.01 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1k8h n ALA 10 Cb 0.65 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1k8h n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1k8h n GLU 11 N -3.74 0.00 -4.08 0.00 0.00 -1.07 -4.45 120.64 107.30 1k8h n GLU 11 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.02 1k8h n GLU 11 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.84 1k8h n GLU 11 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1k8h s ASN 12 N 0.00 0.54 0.00 4.31 0.01 -1.21 -4.83 114.94 113.76 1k8h s ASN 12 Ca 0.00 -0.89 0.04 0.00 -0.71 0.00 0.00 52.86 51.30 1k8h s ASN 12 Cb 0.00 0.16 0.06 0.00 0.41 0.00 0.00 41.25 41.88 1k8h s ASN 12 CO 0.00 -0.51 0.97 2.29 -1.51 0.00 0.00 177.10 178.34 1k8h n LYS 13 N 0.44 0.00 -0.02 -0.60 -0.00 -1.26 -4.87 118.16 111.85 1k8h n LYS 13 Ca -0.16 -1.03 -0.13 0.00 -0.00 0.00 0.00 58.31 56.99 1k8h n LYS 13 Cb 0.60 0.36 -0.10 0.00 -0.00 0.00 0.00 35.03 35.88 1k8h n LYS 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1k8h h GLU 14 N 0.14 0.02 -0.36 -1.58 3.07 -1.98 -3.21 114.58 110.69 1k8h h GLU 14 Ca -0.45 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.47 1k8h h GLU 14 Cb 1.43 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.26 1k8h h GLU 14 CO -0.20 0.52 -0.26 0.00 -1.40 0.00 0.00 179.01 177.67 1k8h h ALA 15 N 0.50 -0.07 -0.63 3.43 0.00 -1.93 -1.59 119.26 118.97 1k8h h ALA 15 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1k8h h ALA 15 Cb 0.52 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 1k8h h ALA 15 CO 0.00 -0.65 -0.06 -0.22 0.00 0.00 0.00 179.25 178.32 1k8h h LYS 16 N -0.21 0.06 -0.54 0.00 3.11 -1.62 0.61 116.57 117.98 1k8h h LYS 16 Ca 0.17 -0.00 0.11 0.00 -2.81 0.00 0.00 60.65 58.12 1k8h h LYS 16 Cb 0.48 -0.01 -0.10 0.00 -1.00 0.00 0.00 32.23 31.60 1k8h h LYS 16 CO -0.48 0.04 -0.10 0.00 -2.81 0.00 0.00 179.45 176.10 1k8h h ALA 17 N 1.60 0.39 -0.67 5.00 0.00 -1.29 -3.42 119.26 120.88 1k8h h ALA 17 Ca 0.32 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1k8h h ALA 17 Cb 0.52 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1k8h h ALA 17 CO -0.59 -0.43 0.00 1.17 0.00 0.00 0.00 179.25 179.40 1k8h n LYS 18 N -5.35 0.00 -1.54 0.00 0.00 -0.25 -5.00 118.16 106.03 1k8h n LYS 18 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.95 1k8h n LYS 18 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.27 1k8h n LYS 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1k8h n TYR 19 N -2.17 1.54 -2.28 5.64 4.01 0.20 -4.89 117.16 119.21 1k8h n TYR 19 Ca 0.00 0.10 -0.42 0.00 -0.16 0.00 0.00 57.90 57.42 1k8h n TYR 19 Cb 0.00 -2.62 -0.03 0.00 -0.31 0.00 0.00 39.34 36.38 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 9.86 6.90 0.44 7.72 2.15 -1.25 -3.28 116.67 139.21 1k8h s ASP 20 Ca 1.05 2.02 -0.14 0.00 0.43 0.00 0.00 52.55 55.91 1k8h s ASP 20 Cb -0.45 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 39.53 1k8h s ASP 20 CO 0.35 -0.70 0.86 -0.63 -0.17 0.00 0.00 175.17 174.89 1k8h s ILE 21 N 2.48 4.64 0.00 4.11 1.09 -1.26 -2.54 121.20 129.73 1k8h s ILE 21 Ca 0.62 0.96 0.00 0.00 -1.10 0.00 0.00 60.65 61.13 1k8h s ILE 21 Cb -0.29 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 1k8h s ILE 21 CO 0.25 -0.52 0.00 -0.11 -0.10 0.00 0.00 174.94 174.46 1k8h n LEU 22 N -1.21 0.00 -4.53 2.97 -0.00 0.12 -4.95 117.00 109.39 1k8h n LEU 22 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.78 1k8h n LEU 22 Cb 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.86 1k8h n LEU 22 CO 0.45 -0.48 -0.45 -1.83 -0.00 0.00 0.00 177.39 175.09 1k8h s GLU 23 N -0.96 1.94 0.09 1.96 -1.05 -1.26 -4.95 118.70 114.47 1k8h s GLU 23 Ca 0.00 -1.23 0.01 0.00 -0.15 0.00 0.00 54.97 53.60 1k8h s GLU 23 Cb 0.00 -2.14 -0.04 0.00 -0.44 0.00 0.00 34.13 31.51 1k8h s GLU 23 CO 0.00 0.45 -0.06 0.95 0.95 0.00 0.00 175.26 177.55 1k8h s THR 24 N -1.47 0.62 0.34 1.83 -4.23 -1.26 -0.97 115.64 110.50 1k8h s THR 24 Ca 0.22 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1k8h s THR 24 Cb -0.10 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 1k8h s THR 24 CO 0.13 -0.88 0.14 -0.47 -0.54 0.00 0.00 174.62 173.00 1k8h s TYR 25 N -3.63 1.70 -0.06 3.99 5.04 -0.98 -4.99 117.35 118.42 1k8h s TYR 25 Ca 0.11 -1.31 0.03 0.00 -2.44 0.00 0.00 57.07 53.46 1k8h s TYR 25 Cb 0.05 -0.98 0.01 0.00 0.35 0.00 0.00 41.96 41.39 1k8h s TYR 25 CO -0.05 -0.42 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.38 1k8h s GLU 26 N -3.78 1.92 -0.12 4.97 8.01 -1.26 -2.44 118.70 125.99 1k8h s GLU 26 Ca 0.33 -0.54 0.02 0.00 0.01 0.00 0.00 54.97 54.78 1k8h s GLU 26 Cb 0.05 -1.57 0.01 0.00 -4.31 0.00 0.00 34.13 28.31 1k8h s GLU 26 CO 0.17 0.11 -0.16 0.00 0.01 0.00 0.00 175.26 175.39 1k8h s ALA 27 N 0.43 1.82 -0.24 5.21 0.00 -1.01 -4.72 121.76 123.26 1k8h s ALA 27 Ca -0.12 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 1k8h s ALA 27 Cb -0.15 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 1k8h s ALA 27 CO 0.04 -0.11 0.20 0.20 0.00 0.00 0.00 175.76 176.09 1k8h s GLY 28 N 1.03 1.99 0.33 0.00 0.00 -1.25 -1.26 107.32 108.17 1k8h s GLY 28 Ca -0.05 -0.85 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 1k8h s GLY 28 CO -0.03 0.48 0.65 -1.50 0.00 0.00 0.00 173.10 172.70 1k8h s ILE 29 N 1.15 4.89 -0.24 0.90 2.07 0.09 -1.99 121.20 128.08 1k8h s ILE 29 Ca 0.09 0.39 -0.03 0.00 -1.41 0.00 0.00 60.65 59.70 1k8h s ILE 29 Cb -0.14 -3.71 0.13 0.00 0.13 0.00 0.00 42.46 38.87 1k8h s ILE 29 CO 0.05 -0.36 0.34 0.68 -1.91 0.00 0.00 174.94 173.74 1k8h s VAL 30 N -2.16 -0.54 0.23 4.00 -7.23 -1.26 -4.14 120.40 109.30 1k8h s VAL 30 Ca 0.48 -0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.44 1k8h s VAL 30 Cb -0.11 -0.79 -0.01 0.00 0.56 0.00 0.00 36.38 36.03 1k8h s VAL 30 CO 0.29 -0.15 0.43 -1.48 -0.31 0.00 0.00 175.10 173.88 1k8h s LEU 31 N 2.50 0.43 0.09 1.32 2.34 -1.26 -4.96 118.68 119.14 1k8h s LEU 31 Ca 0.11 -0.93 0.00 0.00 0.06 0.00 0.00 54.13 53.37 1k8h s LEU 31 Cb -0.15 1.62 -0.04 0.00 -0.56 0.00 0.00 46.19 47.06 1k8h s LEU 31 CO -0.16 -1.09 -0.02 -0.54 -1.06 0.00 0.00 176.35 173.48 1k8h s LYS 32 N -4.02 0.79 0.00 1.48 1.02 -1.26 -4.95 119.74 112.81 1k8h s LYS 32 Ca 0.22 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1k8h s LYS 32 Cb 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1k8h s LYS 32 CO 0.08 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1k8h n GLY 33 N -0.01 0.31 0.81 -3.33 0.00 -1.26 -4.75 105.19 96.96 1k8h n GLY 33 Ca -0.11 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.43 1k8h n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k8h n SER 34 N 0.00 2.65 -0.00 1.61 3.41 -1.26 -4.42 113.62 115.61 1k8h n SER 34 Ca 0.00 -1.83 -0.12 0.00 -0.26 0.00 0.00 58.87 56.65 1k8h n SER 34 Cb 0.00 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1k8h n SER 34 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1k8h h GLU 35 N 3.96 0.08 -0.26 4.33 3.07 -1.98 -0.95 114.58 122.83 1k8h h GLU 35 Ca 0.00 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 1k8h h GLU 35 Cb 0.91 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.73 1k8h h GLU 35 CO 0.00 0.29 -0.36 0.28 -1.40 0.00 0.00 179.01 177.83 1k8h h VAL 36 N -0.15 0.22 0.07 3.13 2.07 -1.93 -0.90 116.25 118.76 1k8h h VAL 36 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1k8h h VAL 36 Cb 0.25 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1k8h h VAL 36 CO 0.00 0.00 -0.03 0.11 0.02 0.00 0.00 177.57 177.67 1k8h h LYS 37 N -0.36 -0.09 -0.50 1.57 1.79 -1.83 -1.47 116.57 115.68 1k8h h LYS 37 Ca 0.12 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.70 1k8h h LYS 37 Cb 0.56 0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 31.14 1k8h h LYS 37 CO -0.45 0.39 -0.15 1.03 -1.08 0.00 0.00 179.45 179.18 1k8h h SER 38 N -0.61 -0.55 -0.03 0.86 0.87 -1.07 -0.72 113.55 112.30 1k8h h SER 38 Ca -0.01 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1k8h h SER 38 Cb 0.52 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1k8h h SER 38 CO 0.02 -0.19 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.02 1k8h h LEU 39 N -0.03 0.09 -0.53 2.23 3.38 -1.25 -2.47 115.31 116.72 1k8h h LEU 39 Ca 0.24 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 57.82 1k8h h LEU 39 Cb 0.40 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 1k8h h LEU 39 CO -0.53 0.57 -0.12 -0.09 0.09 0.00 0.00 178.44 178.35 1k8h h ARG 40 N -0.39 0.01 -0.00 1.13 2.43 -0.82 -0.40 114.38 116.33 1k8h h ARG 40 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1k8h h ARG 40 Cb 0.54 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1k8h h ARG 40 CO 0.01 0.00 -0.00 1.05 -1.51 0.00 0.00 179.97 179.52 1k8h h GLU 41 N 0.01 0.01 0.00 0.20 4.11 -1.22 -3.40 114.58 114.29 1k8h h GLU 41 Ca 0.26 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1k8h h GLU 41 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1k8h h GLU 41 CO -0.54 0.49 0.00 1.63 0.07 0.00 0.00 179.01 180.66 1k8h n LYS 42 N -4.85 0.00 0.00 1.06 4.76 -0.93 -5.03 118.16 113.17 1k8h n LYS 42 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1k8h n LYS 42 Cb 0.25 -0.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.70 1k8h n LYS 42 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k8h n GLY 43 N 0.67 0.96 0.00 0.72 0.00 -0.19 -5.08 105.19 102.28 1k8h n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k8h n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k8h n THR 44 N 0.00 0.00 -1.68 2.61 -2.24 -1.26 -5.01 114.28 106.70 1k8h n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k8h n THR 44 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1k8h n THR 44 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1k8h n VAL 45 N 0.00 -4.73 -2.82 2.28 3.14 -1.08 -4.74 118.33 110.38 1k8h n VAL 45 Ca 0.00 2.21 -0.06 0.00 -2.96 0.00 0.00 64.34 63.53 1k8h n VAL 45 Cb 0.00 -3.16 0.01 0.00 -1.06 0.00 0.00 33.84 29.63 1k8h n VAL 45 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1k8h n SER 46 N -1.38 -7.93 0.11 6.55 2.88 -1.25 -4.40 113.62 108.19 1k8h n SER 46 Ca 0.00 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1k8h n SER 46 Cb 0.14 -5.27 0.00 0.00 -0.75 0.00 0.00 64.21 58.33 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 0.07 -1.74 -2.00 0.66 -0.00 -1.26 -4.02 117.46 109.17 1k8h n PHE 47 Ca 0.07 0.31 -0.07 0.00 -0.00 0.00 0.00 57.45 57.76 1k8h n PHE 47 Cb 0.31 0.46 -0.07 0.00 -0.00 0.00 0.00 39.48 40.19 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 -3.34 0.00 -0.90 -4.13 5.02 -1.26 -4.87 118.16 108.67 1k8h n LYS 48 Ca 0.00 -0.93 -0.03 0.00 -2.02 0.00 0.00 58.31 55.33 1k8h n LYS 48 Cb 0.02 0.47 -0.03 0.00 -0.02 0.00 0.00 35.03 35.46 1k8h n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1k8h n ASP 49 N 0.00 -0.32 -4.37 4.39 2.03 -1.26 -5.03 116.55 111.98 1k8h n ASP 49 Ca -0.26 -1.74 -0.32 0.00 0.52 0.00 0.00 54.79 53.00 1k8h n ASP 49 Cb 0.69 0.08 -0.15 0.00 -0.72 0.00 0.00 41.12 41.02 1k8h n ASP 49 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1k8h s SER 50 N -0.90 3.49 0.10 1.67 1.04 -1.26 -2.33 113.70 115.51 1k8h s SER 50 Ca 0.05 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1k8h s SER 50 Cb 0.06 -0.68 -0.04 0.00 0.10 0.00 0.00 66.02 65.46 1k8h s SER 50 CO -0.03 0.31 -0.05 -0.36 0.98 0.00 0.00 173.24 174.09 1k8h s PHE 51 N -0.54 0.85 -0.11 5.02 0.40 -0.05 -4.58 117.98 118.97 1k8h s PHE 51 Ca 0.07 -0.95 0.02 0.00 -0.60 0.00 0.00 56.93 55.47 1k8h s PHE 51 Cb -0.11 -0.50 0.01 0.00 0.51 0.00 0.00 43.02 42.93 1k8h s PHE 51 CO 0.01 -0.20 -0.17 0.54 0.70 0.00 0.00 175.22 176.10 1k8h s VAL 52 N -3.68 1.60 -0.08 -0.44 0.11 -1.23 -0.99 120.40 115.68 1k8h s VAL 52 Ca 0.12 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 58.48 1k8h s VAL 52 Cb 0.06 -1.44 0.01 0.00 -1.53 0.00 0.00 36.38 33.47 1k8h s VAL 52 CO -0.05 0.46 -0.17 -0.60 -3.33 0.00 0.00 175.10 171.41 1k8h s ARG 53 N 0.85 2.25 -0.12 1.54 3.52 -0.82 -4.29 118.95 121.87 1k8h s ARG 53 Ca -0.09 -0.60 -0.29 0.00 -0.13 0.00 0.00 55.73 54.62 1k8h s ARG 53 Cb -0.15 -1.79 -0.01 0.00 -1.56 0.00 0.00 34.95 31.44 1k8h s ARG 53 CO 0.00 0.06 1.00 -1.50 -0.81 0.00 0.00 175.30 174.06 1k8h s ILE 54 N 0.61 4.78 -0.05 4.11 1.10 -1.26 -2.08 121.20 128.40 1k8h s ILE 54 Ca -0.15 2.03 0.04 0.00 -0.51 0.00 0.00 60.65 62.05 1k8h s ILE 54 Cb -0.16 -4.31 -0.03 0.00 0.15 0.00 0.00 42.46 38.11 1k8h s ILE 54 CO 0.05 -0.01 -0.15 -1.61 -2.11 0.00 0.00 174.94 171.11 1k8h s GLU 55 N 2.14 2.54 -0.75 3.50 0.41 -1.10 -4.90 118.70 120.54 1k8h s GLU 55 Ca 0.47 -0.70 -0.12 0.00 -0.41 0.00 0.00 54.97 54.22 1k8h s GLU 55 Cb -0.18 -2.38 -0.23 0.00 -1.78 0.00 0.00 34.13 29.56 1k8h s GLU 55 CO 0.16 0.60 1.73 0.09 -0.49 0.00 0.00 175.26 177.36 1k8h n ASN 56 N 2.38 -0.71 0.00 -0.19 4.13 -1.26 -1.81 115.26 117.80 1k8h n ASN 56 Ca -0.17 -0.25 0.00 0.00 1.68 0.00 0.00 54.58 55.84 1k8h n ASN 56 Cb 0.52 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1k8h n ASN 56 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k8h n GLY 57 N 4.35 1.29 3.39 7.41 0.00 -1.26 -5.12 105.19 115.25 1k8h n GLY 57 Ca 0.50 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 1.66 -0.04 1.61 8.01 -0.75 -4.63 118.70 124.55 1k8h s GLU 58 Ca 0.00 -1.71 -0.30 0.00 0.01 0.00 0.00 54.97 52.97 1k8h s GLU 58 Cb 0.00 0.38 -0.04 0.00 -4.31 0.00 0.00 34.13 30.16 1k8h s GLU 58 CO 0.00 -0.65 1.30 0.00 0.01 0.00 0.00 175.26 175.92 1k8h s ALA 59 N -3.54 3.55 0.07 5.21 0.00 -1.26 -2.69 121.76 123.10 1k8h s ALA 59 Ca 0.34 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.03 1k8h s ALA 59 Cb 0.02 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1k8h s ALA 59 CO 0.18 -0.87 0.12 -1.58 0.00 0.00 0.00 175.76 173.62 1k8h s TRP 60 N 2.42 3.31 -0.06 0.00 0.52 -0.88 -2.12 118.94 122.13 1k8h s TRP 60 Ca 0.59 0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.90 1k8h s TRP 60 Cb -0.27 -1.68 0.00 0.00 -1.15 0.00 0.00 33.47 30.37 1k8h s TRP 60 CO 0.23 0.55 -0.17 -1.17 0.02 0.00 0.00 176.95 176.42 1k8h s LEU 61 N -2.38 1.84 -0.12 2.99 2.96 -0.81 -1.94 118.68 121.22 1k8h s LEU 61 Ca 0.31 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1k8h s LEU 61 Cb -0.12 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.58 1k8h s LEU 61 CO 0.23 0.11 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.73 1k8h s TYR 62 N 0.35 2.15 -0.03 5.38 5.04 -0.16 -1.41 117.35 128.66 1k8h s TYR 62 Ca -0.11 -1.04 0.05 0.00 -2.44 0.00 0.00 57.07 53.52 1k8h s TYR 62 Cb -0.15 -1.53 -0.01 0.00 0.35 0.00 0.00 41.96 40.63 1k8h s TYR 62 CO 0.04 -0.52 -0.18 1.21 -1.34 0.00 0.00 175.55 174.76 1k8h s ASN 63 N 0.98 2.22 -0.03 4.32 3.84 -1.26 -0.87 114.94 124.14 1k8h s ASN 63 Ca -0.06 -0.35 0.06 0.00 0.21 0.00 0.00 52.86 52.71 1k8h s ASN 63 Cb -0.15 -0.45 -0.09 0.00 -0.55 0.00 0.00 41.25 40.01 1k8h s ASN 63 CO -0.02 0.19 0.08 -0.11 -2.79 0.00 0.00 177.10 174.45 1k8h n LEU 64 N 2.90 0.00 -2.52 3.21 7.94 -0.98 -3.52 117.00 124.03 1k8h n LEU 64 Ca -0.17 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.46 1k8h n LEU 64 Cb 0.53 0.07 -0.06 0.00 0.53 0.00 0.00 43.42 44.50 1k8h n LEU 64 CO 0.24 0.07 1.60 0.00 -1.11 0.00 0.00 177.39 178.20 1k8h n TYR 65 N -1.96 1.63 -2.62 1.96 9.36 -1.25 -4.61 117.16 119.67 1k8h n TYR 65 Ca -0.05 -1.96 0.00 0.00 3.32 0.00 0.00 57.90 59.20 1k8h n TYR 65 Cb 0.42 -1.39 0.00 0.00 -0.63 0.00 0.00 39.34 37.74 1k8h n TYR 65 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1k8h n ILE 66 N 0.89 0.00 -1.69 2.97 5.41 -1.26 -2.62 119.36 123.05 1k8h n ILE 66 Ca 0.49 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 64.24 1k8h n ILE 66 Cb 0.54 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 1k8h n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k8h n ALA 67 N -3.00 -3.08 -0.12 -1.39 0.00 -1.26 -4.78 120.51 106.88 1k8h n ALA 67 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1k8h n ALA 67 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 1k8h n ALA 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1k8h h PRO 68 N 0.47 0.53 -3.74 0.00 0.11 -1.94 -3.47 132.00 123.96 1k8h h PRO 68 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1k8h h PRO 68 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1k8h h PRO 68 CO 0.02 0.51 -0.89 0.98 -0.21 0.00 0.00 178.00 178.41 1k8h n TYR 69 N -4.69 -4.41 -2.66 0.65 9.36 -1.26 -5.03 117.16 109.11 1k8h n TYR 69 Ca -0.01 2.32 -0.03 0.00 3.32 0.00 0.00 57.90 63.50 1k8h n TYR 69 Cb 0.13 -3.51 0.10 0.00 -0.63 0.00 0.00 39.34 35.43 1k8h n TYR 69 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1k8h n LYS 70 N -0.10 0.18 -1.47 2.98 3.00 -1.26 -5.12 118.16 116.38 1k8h n LYS 70 Ca 0.00 -0.75 0.19 0.00 -0.00 0.00 0.00 58.31 57.75 1k8h n LYS 70 Cb 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 35.03 34.80 1k8h n LYS 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1k8h n HIS 71 N 0.35 -3.82 -1.58 5.64 -0.00 -1.26 -5.02 115.22 109.53 1k8h n HIS 71 Ca -0.08 2.03 0.00 0.00 0.46 0.00 0.00 57.72 60.13 1k8h n HIS 71 Cb 0.74 -3.48 0.00 0.00 -0.12 0.00 0.00 29.99 27.14 1k8h n HIS 71 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1k8h n ALA 72 N -3.54 -2.12 -2.51 1.57 0.00 -1.26 -4.96 120.51 107.70 1k8h n ALA 72 Ca -0.05 0.41 -0.04 0.00 0.00 0.00 0.00 53.44 53.76 1k8h n ALA 72 Cb 0.69 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 1k8h n ALA 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1k8h n THR 73 N 0.10-13.01 -2.23 0.00 -1.04 -1.26 -4.99 114.28 91.85 1k8h n THR 73 Ca 0.00 2.89 0.04 0.00 -2.04 0.00 0.00 64.05 64.93 1k8h n THR 73 Cb 0.00 -6.41 0.08 0.00 -1.82 0.00 0.00 70.33 62.18 1k8h n THR 73 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1k8h n ILE 74 N 1.72 0.81 -3.43 12.58 -5.35 -1.26 -4.99 119.36 119.44 1k8h n ILE 74 Ca -0.31 -1.88 -0.39 0.00 -0.27 0.00 0.00 62.75 59.90 1k8h n ILE 74 Cb 0.48 0.58 -0.09 0.00 -1.74 0.00 0.00 39.64 38.87 1k8h n ILE 74 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1k8h s GLU 75 N -1.30 4.03 0.14 6.28 8.01 -1.26 -4.79 118.70 129.80 1k8h s GLU 75 Ca 0.35 -0.01 0.00 0.00 0.01 0.00 0.00 54.97 55.32 1k8h s GLU 75 Cb 0.38 -3.63 0.00 0.00 -4.31 0.00 0.00 34.13 26.57 1k8h s GLU 75 CO -0.13 -0.21 0.00 0.09 0.01 0.00 0.00 175.26 175.02 1k8h n ASN 76 N 5.13 0.00 -3.18 -0.19 3.02 -1.26 -4.78 115.26 113.99 1k8h n ASN 76 Ca -0.10 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.39 1k8h n ASN 76 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1k8h n ASN 76 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1k8h n HIS 77 N 0.00 -2.86 -1.71 3.10 8.25 -1.26 -4.83 115.22 115.91 1k8h n HIS 77 Ca 0.00 1.11 -0.43 0.00 -0.26 0.00 0.00 57.72 58.14 1k8h n HIS 77 Cb 0.00 -3.82 -0.03 0.00 1.12 0.00 0.00 29.99 27.26 1k8h n HIS 77 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k8h s ASP 78 N -2.93 5.92 -0.07 0.41 1.01 -1.26 -4.86 116.67 114.89 1k8h s ASP 78 Ca 0.03 2.10 -0.06 0.00 0.71 0.00 0.00 52.55 55.34 1k8h s ASP 78 Cb -0.01 -2.52 -0.22 0.00 1.01 0.00 0.00 42.92 41.18 1k8h s ASP 78 CO 0.78 -1.56 3.50 -0.81 0.21 0.00 0.00 175.17 177.30 1k8h n PRO 79 N 8.20 2.06 0.00 8.23 -0.04 -1.26 -4.71 135.00 147.47 1k8h n PRO 79 Ca 0.25 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 1k8h n PRO 79 Cb 0.44 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1k8h n PRO 79 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1k8h n LEU 80 N 2.26 0.00 -3.69 1.53 -0.00 -1.26 -4.45 117.00 111.39 1k8h n LEU 80 Ca 0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.35 1k8h n LEU 80 Cb 0.87 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 44.18 1k8h n LEU 80 CO 0.15 0.00 0.11 -0.13 -0.00 0.00 0.00 177.39 177.52 1k8h s ARG 81 N 0.00 0.45 0.21 1.47 1.81 -1.23 -5.08 118.95 116.58 1k8h s ARG 81 Ca 0.00 0.83 -0.23 0.00 -1.72 0.00 0.00 55.73 54.61 1k8h s ARG 81 Cb 0.00 0.03 -0.08 0.00 -0.45 0.00 0.00 34.95 34.45 1k8h s ARG 81 CO 0.00 -0.15 0.77 0.21 -0.68 0.00 0.00 175.30 175.46 1k8h s LYS 82 N 1.30 4.44 0.07 3.54 2.20 -1.26 -4.07 119.74 125.95 1k8h s LYS 82 Ca -0.09 1.06 0.09 0.00 -0.36 0.00 0.00 55.97 56.67 1k8h s LYS 82 Cb -0.07 -3.05 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1k8h s LYS 82 CO -0.12 0.47 -0.24 1.03 -0.36 0.00 0.00 175.35 176.12 1k8h s ARG 83 N -1.58 1.52 -0.17 4.03 1.81 -0.50 -5.04 118.95 119.01 1k8h s ARG 83 Ca 0.40 -1.11 -0.04 0.00 -1.72 0.00 0.00 55.73 53.26 1k8h s ARG 83 Cb -0.20 -1.75 -0.03 0.00 -0.45 0.00 0.00 34.95 32.53 1k8h s ARG 83 CO 0.24 0.44 -0.02 -1.59 -0.68 0.00 0.00 175.30 173.68 1k8h s LYS 84 N -1.45 3.69 0.48 3.54 0.00 -1.26 -1.93 119.74 122.81 1k8h s LYS 84 Ca 0.10 -0.50 0.06 0.00 0.00 0.00 0.00 55.97 55.62 1k8h s LYS 84 Cb -0.10 -2.97 -0.01 0.00 0.00 0.00 0.00 37.83 34.75 1k8h s LYS 84 CO 0.03 0.20 0.26 -0.51 0.00 0.00 0.00 175.35 175.33 1k8h s LEU 85 N 0.49 2.84 0.30 2.77 1.43 -0.90 -4.10 118.68 121.51 1k8h s LEU 85 Ca -0.02 -1.21 0.07 0.00 -1.03 0.00 0.00 54.13 51.94 1k8h s LEU 85 Cb -0.14 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1k8h s LEU 85 CO 0.02 -0.83 0.24 -0.22 0.23 0.00 0.00 176.35 175.79 1k8h s LEU 86 N -4.08 3.65 0.00 1.79 2.96 -0.84 -4.07 118.68 118.09 1k8h s LEU 86 Ca 0.33 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1k8h s LEU 86 Cb 0.00 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.47 1k8h s LEU 86 CO 0.19 -0.21 0.00 -0.11 -1.32 0.00 0.00 176.35 174.90 1k8h n LEU 87 N -1.27 0.00 0.00 -0.68 0.00 -1.26 -3.76 117.00 110.03 1k8h n LEU 87 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.97 1k8h n LEU 87 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.01 1k8h n LEU 87 CO 0.43 0.00 0.00 1.41 0.00 0.00 0.00 177.39 179.23 1k8h n HIS 88 N 0.00 0.00 0.00 1.96 8.25 -1.26 -5.06 115.22 119.10 1k8h n HIS 88 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1k8h n HIS 88 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1k8h n HIS 88 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1k8h n LYS 89 N 0.00 0.00 -0.03 -0.41 4.81 -1.26 -4.94 118.16 116.33 1k8h n LYS 89 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1k8h n LYS 89 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1k8h n LYS 89 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1k8h h ARG 90 N 0.00 0.09 -0.60 1.64 2.47 -1.99 -3.27 114.38 112.73 1k8h h ARG 90 Ca 0.00 -0.05 0.12 0.00 -1.26 0.00 0.00 59.98 58.79 1k8h h ARG 90 Cb 0.00 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.22 1k8h h ARG 90 CO 0.00 0.59 -0.01 0.93 0.56 0.00 0.00 179.97 182.04 1k8h h GLU 91 N -0.40 0.10 -0.15 0.04 4.39 -1.99 -1.88 114.58 114.70 1k8h h GLU 91 Ca 0.00 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1k8h h GLU 91 Cb 0.58 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 1k8h h GLU 91 CO 0.01 0.07 -0.41 0.82 -1.16 0.00 0.00 179.01 178.34 1k8h h ILE 92 N 0.11 0.00 -0.27 3.13 2.04 -1.89 -0.12 117.51 120.51 1k8h h ILE 92 Ca 0.31 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.22 1k8h h ILE 92 Cb 0.49 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1k8h h ILE 92 CO -0.52 0.00 -0.07 0.24 0.00 0.00 0.00 178.15 177.80 1k8h h MET 93 N -0.40 -0.01 -0.51 2.37 2.86 -1.58 -2.47 114.93 115.19 1k8h h MET 93 Ca 0.03 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 1k8h h MET 93 Cb 0.49 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.06 1k8h h MET 93 CO -0.35 -0.00 -0.12 -0.09 1.06 0.00 0.00 176.91 177.41 1k8h h ARG 94 N -0.01 0.01 -0.19 1.72 2.43 -0.85 0.12 114.38 117.60 1k8h h ARG 94 Ca 0.13 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1k8h h ARG 94 Cb 0.20 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1k8h h ARG 94 CO -0.28 0.01 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.08 1k8h h LEU 95 N 0.01 -0.15 0.46 3.80 3.38 -0.60 -0.61 115.31 121.61 1k8h h LEU 95 Ca 0.25 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1k8h h LEU 95 Cb 0.38 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1k8h h LEU 95 CO -0.52 -0.05 -0.22 0.22 0.09 0.00 0.00 178.44 177.96 1k8h h TYR 96 N 0.02 -0.58 0.25 1.13 3.20 -0.95 -1.36 116.97 118.69 1k8h h TYR 96 Ca 0.09 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1k8h h TYR 96 Cb 0.13 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1k8h h TYR 96 CO -0.20 -0.31 -0.18 0.78 -1.64 0.00 0.00 178.16 176.61 1k8h h GLY 97 N -0.71 -0.44 0.26 1.82 0.00 -0.93 -2.08 103.07 101.00 1k8h h GLY 97 Ca -0.06 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1k8h h GLY 97 CO 0.10 -0.18 -0.13 1.70 0.00 0.00 0.00 176.54 178.04 1k8h h LYS 98 N -0.43 -0.34 -0.45 4.80 3.64 -1.18 -2.11 116.57 120.49 1k8h h LYS 98 Ca -0.02 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1k8h h LYS 98 Cb 0.38 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.18 1k8h h LYS 98 CO 0.00 -0.23 -0.18 0.28 -2.27 0.00 0.00 179.45 177.06 1k8h h VAL 99 N -0.61 0.43 0.03 2.00 2.07 -1.38 -0.20 116.25 118.59 1k8h h VAL 99 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1k8h h VAL 99 Cb 0.27 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1k8h h VAL 99 CO 0.06 0.00 -0.01 -0.61 0.02 0.00 0.00 177.57 177.03 1k8h h GLN 100 N -0.08 -0.03 0.38 1.57 -0.00 -1.47 1.32 115.11 116.79 1k8h h GLN 100 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.85 1k8h h GLN 100 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.91 1k8h h GLN 100 CO -0.51 0.46 -0.18 1.49 0.00 0.00 0.00 178.83 180.09 1k8h h GLU 101 N -0.54 -0.49 -0.57 1.69 4.57 -1.27 -3.33 114.58 114.63 1k8h h GLU 101 Ca -0.00 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.33 1k8h h GLU 101 Cb 0.51 0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 29.10 1k8h h GLU 101 CO 0.01 -0.20 -0.12 0.87 -1.18 0.00 0.00 179.01 178.39 1k8h h LYS 102 N -1.02 0.02 0.00 1.92 1.79 -1.17 -3.45 116.57 114.67 1k8h h LYS 102 Ca -0.05 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1k8h h LYS 102 Cb 0.52 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1k8h h LYS 102 CO 0.09 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.88 1k8h n GLY 103 N -1.39 -0.06 3.31 3.86 0.00 -1.21 -5.10 105.19 104.60 1k8h n GLY 103 Ca 0.07 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 1.50 0.07 1.61 1.51 0.45 -4.51 117.35 117.98 1k8h s TYR 104 Ca 0.00 -0.75 0.05 0.00 -1.01 0.00 0.00 57.07 55.36 1k8h s TYR 104 Cb 0.00 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1k8h s TYR 104 CO 0.00 0.13 -0.13 -0.08 -1.11 0.00 0.00 175.55 174.36 1k8h s THR 105 N -3.24 1.06 -0.08 -0.71 -1.32 -1.08 -4.09 115.64 106.17 1k8h s THR 105 Ca 0.22 -1.33 0.04 0.00 -1.21 0.00 0.00 61.69 59.41 1k8h s THR 105 Cb 0.03 -1.07 -0.01 0.00 -1.51 0.00 0.00 72.50 69.94 1k8h s THR 105 CO 0.05 -0.27 -0.21 0.27 -2.21 0.00 0.00 174.62 172.24 1k8h s ILE 106 N -1.41 2.37 0.06 5.08 -4.36 -1.26 -2.39 121.20 119.29 1k8h s ILE 106 Ca -0.02 -0.93 0.04 0.00 -0.26 0.00 0.00 60.65 59.48 1k8h s ILE 106 Cb -0.09 -1.91 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 1k8h s ILE 106 CO 0.02 0.56 -0.12 0.27 0.24 0.00 0.00 174.94 175.91 1k8h s ILE 107 N 0.01 0.93 0.05 8.37 -4.36 -1.13 -3.58 121.20 121.49 1k8h s ILE 107 Ca -0.07 -1.23 -0.28 0.00 -0.26 0.00 0.00 60.65 58.81 1k8h s ILE 107 Cb -0.15 -0.92 -0.05 0.00 1.25 0.00 0.00 42.46 42.59 1k8h s ILE 107 CO 0.05 -0.27 0.88 -2.16 0.24 0.00 0.00 174.94 173.68 1k8h s PRO 108 N -1.68 4.59 0.00 0.37 0.04 -1.26 -2.11 135.00 134.93 1k8h s PRO 108 Ca -0.05 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1k8h s PRO 108 Cb -0.10 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1k8h s PRO 108 CO 0.02 0.17 0.00 -0.11 0.04 0.00 0.00 177.00 177.12 1k8h n LEU 109 N 3.08 0.00 -4.07 -3.56 7.94 0.31 -4.71 117.00 115.98 1k8h n LEU 109 Ca 0.01 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.62 1k8h n LEU 109 Cb 0.50 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.28 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 0.00 2.38 -0.11 1.96 -2.85 -1.25 -2.61 119.74 117.25 1k8h s LYS 110 Ca 0.00 -0.62 0.01 0.00 -1.00 0.00 0.00 55.97 54.37 1k8h s LYS 110 Cb 0.00 -2.03 0.02 0.00 -2.06 0.00 0.00 37.83 33.76 1k8h s LYS 110 CO 0.00 -0.08 -0.15 -0.48 0.10 0.00 0.00 175.35 174.74 1k8h s LEU 111 N 1.03 1.69 0.07 2.77 2.34 -0.92 -2.60 118.68 123.06 1k8h s LEU 111 Ca -0.05 -0.43 0.03 0.00 0.06 0.00 0.00 54.13 53.75 1k8h s LEU 111 Cb -0.15 -1.09 -0.03 0.00 -0.56 0.00 0.00 46.19 44.36 1k8h s LEU 111 CO -0.03 -0.00 -0.10 -0.72 -1.06 0.00 0.00 176.35 174.44 1k8h s TYR 112 N 1.08 0.92 -0.19 3.48 1.13 -1.07 -2.14 117.35 120.56 1k8h s TYR 112 Ca -0.05 -0.57 -0.03 0.00 -1.41 0.00 0.00 57.07 55.01 1k8h s TYR 112 Cb -0.14 -0.53 -0.01 0.00 -1.10 0.00 0.00 41.96 40.18 1k8h s TYR 112 CO -0.03 -0.03 -0.06 1.67 -2.51 0.00 0.00 175.55 174.58 1k8h s TRP 113 N -1.86 2.94 0.03 -3.49 -2.14 -0.95 -1.40 118.94 112.06 1k8h s TRP 113 Ca -0.02 -0.78 0.04 0.00 2.66 0.00 0.00 56.10 58.00 1k8h s TRP 113 Cb -0.07 -2.03 -0.04 0.00 -3.10 0.00 0.00 33.47 28.24 1k8h s TRP 113 CO 0.00 -0.40 -0.06 0.15 -2.66 0.00 0.00 176.95 173.99 1k8h s LYS 114 N 1.07 2.51 0.00 3.25 3.01 -0.51 -3.19 119.74 125.87 1k8h s LYS 114 Ca 0.01 -0.77 0.00 0.00 -1.01 0.00 0.00 55.97 54.19 1k8h s LYS 114 Cb -0.15 -2.49 0.00 0.00 -1.01 0.00 0.00 37.83 34.18 1k8h s LYS 114 CO -0.00 0.58 0.00 -1.71 0.51 0.00 0.00 175.35 174.73 1k8h n ASN 115 N 1.27 0.00 0.00 2.83 2.85 -1.26 -2.70 115.26 118.25 1k8h n ASN 115 Ca -0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1k8h n ASN 115 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1k8h n ASN 115 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1k8h n ASN 116 N 2.21 0.00 -4.13 1.20 2.85 -1.26 -5.17 115.26 110.96 1k8h n ASN 116 Ca 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 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 0.72 0.19 1.20 1.02 -1.10 -5.00 119.74 116.77 1k8h s LYS 117 Ca 0.00 -1.24 -0.09 0.00 0.02 0.00 0.00 55.97 54.67 1k8h s LYS 117 Cb 0.00 -0.07 -0.07 0.00 -0.52 0.00 0.00 37.83 37.18 1k8h s LYS 117 CO 0.00 -0.04 0.49 0.08 -0.92 0.00 0.00 175.35 174.96 1k8h s VAL 118 N -3.50 5.00 -0.12 3.17 1.01 -1.26 -1.42 120.40 123.27 1k8h s VAL 118 Ca 0.08 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1k8h s VAL 118 Cb 0.05 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1k8h s VAL 118 CO -0.06 0.01 -0.15 -0.75 0.00 0.00 0.00 175.10 174.14 1k8h s LYS 119 N -2.65 2.26 -0.12 2.72 2.47 -0.49 -0.73 119.74 123.20 1k8h s LYS 119 Ca 0.44 -0.57 -0.02 0.00 -1.56 0.00 0.00 55.97 54.26 1k8h s LYS 119 Cb -0.12 -1.96 -0.03 0.00 -1.46 0.00 0.00 37.83 34.26 1k8h s LYS 119 CO 0.22 -0.10 -0.02 0.08 0.16 0.00 0.00 175.35 175.68 1k8h s VAL 120 N 1.11 4.06 -0.23 4.02 1.01 -0.38 -2.61 120.40 127.37 1k8h s VAL 120 Ca -0.04 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 1k8h s VAL 120 Cb -0.14 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1k8h s VAL 120 CO -0.04 0.55 0.25 -0.22 0.00 0.00 0.00 175.10 175.64 1k8h s LEU 121 N -0.27 4.11 -0.13 3.92 2.96 -1.07 -2.39 118.68 125.80 1k8h s LEU 121 Ca 0.05 0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1k8h s LEU 121 Cb -0.12 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 1k8h s LEU 121 CO 0.02 -0.00 -0.08 0.27 -1.32 0.00 0.00 176.35 175.24 1k8h s ILE 122 N 1.26 3.52 -0.13 6.68 -4.36 -1.02 -0.53 121.20 126.62 1k8h s ILE 122 Ca 0.11 -0.50 -0.03 0.00 -0.26 0.00 0.00 60.65 59.98 1k8h s ILE 122 Cb -0.14 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 1k8h s ILE 122 CO 0.06 0.52 -0.02 0.00 0.24 0.00 0.00 174.94 175.74 1k8h s ALA 123 N 0.21 3.13 -0.24 2.27 0.00 -0.90 -2.32 121.76 123.92 1k8h s ALA 123 Ca -0.05 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 1k8h s ALA 123 Cb -0.14 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 1k8h s ALA 123 CO 0.04 0.37 0.21 -0.51 0.00 0.00 0.00 175.76 175.87 1k8h s LEU 124 N -0.17 4.12 0.23 0.00 1.02 -0.14 -2.84 118.68 120.90 1k8h s LEU 124 Ca 0.04 0.18 0.10 0.00 0.02 0.00 0.00 54.13 54.47 1k8h s LEU 124 Cb -0.13 -2.19 -0.05 0.00 0.02 0.00 0.00 46.19 43.85 1k8h s LEU 124 CO 0.02 0.03 -0.18 0.00 0.02 0.00 0.00 176.35 176.24 1k8h s ALA 125 N 1.16 2.39 0.07 4.21 0.00 -1.01 0.12 121.76 128.70 1k8h s ALA 125 Ca 0.10 -1.73 0.04 0.00 0.00 0.00 0.00 51.96 50.37 1k8h s ALA 125 Cb -0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1k8h s ALA 125 CO 0.06 0.22 -0.11 0.21 0.00 0.00 0.00 175.76 176.14 1k8h s LYS 126 N -3.36 0.74 0.00 0.00 2.20 -1.05 -2.65 119.74 115.61 1k8h s LYS 126 Ca 0.25 -0.95 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1k8h s LYS 126 Cb -0.04 -0.58 0.00 0.00 -1.51 0.00 0.00 37.83 35.70 1k8h s LYS 126 CO 0.11 0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 1k8h n GLY 127 N 1.12 1.52 1.34 5.54 0.00 -1.26 -4.12 105.19 109.33 1k8h n GLY 127 Ca -0.20 -0.43 0.18 0.00 0.00 0.00 0.00 46.02 45.56 1k8h n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k8h n LYS 128 N 0.00 -2.80 0.10 1.61 5.02 -1.26 -4.32 118.16 116.51 1k8h n LYS 128 Ca 0.00 1.96 -0.04 0.00 -2.02 0.00 0.00 58.31 58.21 1k8h n LYS 128 Cb 0.00 -3.38 0.15 0.00 -0.02 0.00 0.00 35.03 31.78 1k8h n LYS 128 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1k8h h LYS 129 N -1.26 0.18 -7.42 1.97 1.57 -2.03 -3.45 116.57 106.13 1k8h h LYS 129 Ca -0.02 -0.12 -0.42 0.00 -1.87 0.00 0.00 60.65 58.23 1k8h h LYS 129 Cb 1.24 0.02 0.19 0.00 0.08 0.00 0.00 32.23 33.76 1k8h h LYS 129 CO 0.02 0.71 0.15 -0.51 -0.57 0.00 0.00 179.45 179.25 1k8h s LEU 130 N -7.90 0.79 0.59 2.94 1.02 -1.26 -4.90 118.68 109.97 1k8h s LEU 130 Ca -0.03 0.60 0.00 0.00 0.02 0.00 0.00 54.13 54.71 1k8h s LEU 130 Cb 0.12 -2.33 0.00 0.00 0.02 0.00 0.00 46.19 44.00 1k8h s LEU 130 CO 0.78 -4.07 0.00 -1.22 0.02 0.00 0.00 176.35 171.86 1k8h n TYR 131 N -4.72 -3.89 -0.03 0.29 4.02 -1.26 -4.74 117.16 106.83 1k8h n TYR 131 Ca 0.13 2.12 -0.11 0.00 -0.01 0.00 0.00 57.90 60.03 1k8h n TYR 131 Cb 0.60 -3.54 -0.14 0.00 -0.02 0.00 0.00 39.34 36.23 1k8h n TYR 131 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1k8h n ASP 132 N -4.36 1.02 0.00 7.72 9.92 -1.26 -5.07 116.55 124.53 1k8h n ASP 132 Ca -0.08 0.33 0.03 0.00 -0.53 0.00 0.00 54.79 54.53 1k8h n ASP 132 Cb 0.69 -0.10 0.17 0.00 -0.64 0.00 0.00 41.12 41.24 1k8h n ASP 132 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87