#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8h n LYS 2 N 0.00 -3.31 -0.08 1.61 4.76 -1.26 -4.88 118.16 115.00 1k8h n LYS 2 Ca 0.00 2.65 -0.10 0.00 -2.87 0.00 0.00 58.31 57.99 1k8h n LYS 2 Cb 0.00 -3.90 -0.08 0.00 -1.84 0.00 0.00 35.03 29.22 1k8h n LYS 2 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1k8h n SER 3 N -4.36 2.67 -2.76 4.39 7.64 -1.26 -4.81 113.62 115.14 1k8h n SER 3 Ca -0.08 -0.07 -0.02 0.00 1.01 0.00 0.00 58.87 59.71 1k8h n SER 3 Cb 0.69 -0.11 0.08 0.00 -1.01 0.00 0.00 64.21 63.87 1k8h n SER 3 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1k8h n ASP 4 N -2.89 0.25 -4.72 6.43 5.68 -1.26 -5.12 116.55 114.92 1k8h n ASP 4 Ca -0.27 -2.17 -0.24 0.00 -0.50 0.00 0.00 54.79 51.62 1k8h n ASP 4 Cb 0.81 0.03 -0.07 0.00 -1.14 0.00 0.00 41.12 40.75 1k8h n ASP 4 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1k8h s LYS 5 N -2.09 2.30 0.22 0.11 2.36 -1.26 -5.10 119.74 116.27 1k8h s LYS 5 Ca 0.20 -1.64 0.03 0.00 -2.55 0.00 0.00 55.97 52.02 1k8h s LYS 5 Cb 0.38 -2.10 -0.03 0.00 -1.05 0.00 0.00 37.83 35.03 1k8h s LYS 5 CO -0.07 0.07 0.36 0.42 1.55 0.00 0.00 175.35 177.68 1k8h s ILE 6 N -2.47 5.26 -0.12 5.43 1.01 -1.26 -4.86 121.20 124.19 1k8h s ILE 6 Ca 0.38 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1k8h s ILE 6 Cb -0.01 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1k8h s ILE 6 CO 0.22 -0.27 -0.17 -0.63 0.00 0.00 0.00 174.94 174.09 1k8h s ILE 7 N -1.93 1.65 0.19 2.92 1.09 -1.22 -5.08 121.20 118.81 1k8h s ILE 7 Ca 0.35 -0.73 -0.19 0.00 -1.10 0.00 0.00 60.65 58.98 1k8h s ILE 7 Cb -0.10 -1.49 -0.08 0.00 -1.06 0.00 0.00 42.46 39.73 1k8h s ILE 7 CO 0.30 0.47 0.69 -2.16 -0.10 0.00 0.00 174.94 174.14 1k8h s PRO 8 N 0.97 4.24 0.13 2.79 0.04 -1.26 -2.41 135.00 139.50 1k8h s PRO 8 Ca -0.06 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 61.81 1k8h s PRO 8 Cb -0.15 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 1k8h s PRO 8 CO -0.02 0.44 0.03 0.42 0.04 0.00 0.00 177.00 177.91 1k8h s ILE 9 N -1.45 0.28 0.51 0.56 1.01 -0.90 -4.95 121.20 116.26 1k8h s ILE 9 Ca 0.40 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 59.13 1k8h s ILE 9 Cb -0.17 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1k8h s ILE 9 CO 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 174.94 174.63 1k8h n ALA 10 N -0.12 -3.30 -3.65 9.38 0.00 -1.23 -2.20 120.51 119.39 1k8h n ALA 10 Ca -0.07 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1k8h n ALA 10 Cb 0.63 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.62 1k8h n ALA 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1k8h s GLU 11 N -4.47 0.07 -0.30 0.00 -1.05 -1.17 -4.50 118.70 107.28 1k8h s GLU 11 Ca 0.00 0.10 -0.21 0.00 -0.15 0.00 0.00 54.97 54.71 1k8h s GLU 11 Cb 0.00 0.02 0.19 0.00 -0.44 0.00 0.00 34.13 33.90 1k8h s GLU 11 CO 0.00 -0.01 1.32 1.21 0.95 0.00 0.00 175.26 178.73 1k8h s ASN 12 N 0.68 -0.11 -0.35 0.83 3.84 -1.25 -4.43 114.94 114.16 1k8h s ASN 12 Ca -0.03 0.20 0.10 0.00 0.21 0.00 0.00 52.86 53.35 1k8h s ASN 12 Cb -0.03 0.55 0.45 0.00 -0.55 0.00 0.00 41.25 41.67 1k8h s ASN 12 CO -0.12 -0.03 1.11 2.29 -2.79 0.00 0.00 177.10 177.56 1k8h n LYS 13 N 2.28 2.87 -0.02 0.43 0.00 -1.26 -4.82 118.16 117.65 1k8h n LYS 13 Ca -0.13 -4.05 -0.13 0.00 -0.00 0.00 0.00 58.31 54.00 1k8h n LYS 13 Cb 0.57 -2.00 -0.10 0.00 -0.00 0.00 0.00 35.03 33.49 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 2.52 0.03 0.00 -1.58 3.07 -1.95 -2.95 114.58 113.72 1k8h h GLU 14 Ca 0.19 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.06 1k8h h GLU 14 Cb 1.22 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.08 1k8h h GLU 14 CO 0.67 0.52 -0.47 0.00 -1.40 0.00 0.00 179.01 178.33 1k8h h ALA 15 N 0.50 -0.90 -0.57 3.43 0.00 -1.89 -1.86 119.26 117.98 1k8h h ALA 15 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1k8h h ALA 15 Cb 0.52 0.90 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 1k8h h ALA 15 CO 0.00 -1.04 -0.08 -0.22 0.00 0.00 0.00 179.25 177.91 1k8h h LYS 16 N -0.59 0.05 -0.16 0.00 1.63 -1.68 -2.18 116.57 113.63 1k8h h LYS 16 Ca 0.01 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1k8h h LYS 16 Cb 0.63 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.19 1k8h h LYS 16 CO -0.31 0.03 -0.41 0.00 -3.45 0.00 0.00 179.45 175.31 1k8h h ALA 17 N 1.55 -0.55 -2.46 5.00 0.00 -1.23 -3.45 119.26 118.13 1k8h h ALA 17 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1k8h h ALA 17 Cb 0.45 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1k8h h ALA 17 CO -0.54 -0.90 0.00 1.63 0.00 0.00 0.00 179.25 179.43 1k8h n LYS 18 N -5.43 0.00 -1.41 0.00 4.01 -0.75 -5.04 118.16 109.54 1k8h n LYS 18 Ca -0.04 0.00 -0.48 0.00 -0.51 0.00 0.00 58.31 57.28 1k8h n LYS 18 Cb 0.36 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.75 1k8h n LYS 18 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1k8h n TYR 19 N -1.27 0.86 -2.29 2.13 4.01 -1.06 -4.82 117.16 114.72 1k8h n TYR 19 Ca 0.00 0.51 -0.42 0.00 -0.16 0.00 0.00 57.90 57.83 1k8h n TYR 19 Cb 0.00 -2.36 -0.03 0.00 -0.31 0.00 0.00 39.34 36.64 1k8h n TYR 19 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1k8h s ASP 20 N 7.91 6.90 0.07 7.72 1.11 -1.25 -3.93 116.67 135.20 1k8h s ASP 20 Ca 1.27 2.01 -0.30 0.00 0.18 0.00 0.00 52.55 55.71 1k8h s ASP 20 Cb -1.29 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 40.08 1k8h s ASP 20 CO 0.55 -0.69 1.15 -0.63 1.18 0.00 0.00 175.17 176.72 1k8h s ILE 21 N 2.49 4.15 0.00 0.77 1.01 -1.26 -2.26 121.20 126.09 1k8h s ILE 21 Ca 0.61 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.84 1k8h s ILE 21 Cb -0.29 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1k8h s ILE 21 CO 0.24 0.14 0.00 0.18 0.00 0.00 0.00 174.94 175.51 1k8h n LEU 22 N 3.74 0.00 -4.73 2.97 4.77 0.48 -4.98 117.00 119.24 1k8h n LEU 22 Ca 0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 1k8h n LEU 22 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1k8h n LEU 22 CO 0.55 0.00 -0.25 -1.61 -1.33 0.00 0.00 177.39 174.75 1k8h s GLU 23 N 0.00 2.60 0.13 3.23 8.01 -1.26 -4.92 118.70 126.48 1k8h s GLU 23 Ca 0.00 -1.24 0.00 0.00 0.01 0.00 0.00 54.97 53.74 1k8h s GLU 23 Cb 0.00 -2.36 -0.04 0.00 -4.31 0.00 0.00 34.13 27.42 1k8h s GLU 23 CO 0.00 0.38 0.01 0.95 0.01 0.00 0.00 175.26 176.62 1k8h s THR 24 N -2.22 0.35 0.28 3.63 -4.23 -1.26 -0.76 115.64 111.42 1k8h s THR 24 Ca 0.32 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1k8h s THR 24 Cb -0.07 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 1k8h s THR 24 CO 0.22 -0.60 0.29 -0.72 -0.54 0.00 0.00 174.62 173.27 1k8h s TYR 25 N -3.87 1.28 0.03 3.99 1.13 -0.98 -5.02 117.35 113.90 1k8h s TYR 25 Ca 0.20 -1.40 0.04 0.00 -1.41 0.00 0.00 57.07 54.50 1k8h s TYR 25 Cb 0.07 -0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 40.47 1k8h s TYR 25 CO -0.00 -0.86 -0.12 -1.21 -2.51 0.00 0.00 175.55 170.85 1k8h s GLU 26 N -3.67 0.83 0.08 -3.49 8.01 -1.26 -2.84 118.70 116.37 1k8h s GLU 26 Ca 0.36 -0.66 0.02 0.00 0.01 0.00 0.00 54.97 54.71 1k8h s GLU 26 Cb 0.03 -0.80 -0.03 0.00 -4.31 0.00 0.00 34.13 29.01 1k8h s GLU 26 CO 0.19 0.20 -0.08 0.00 0.01 0.00 0.00 175.26 175.58 1k8h s ALA 27 N -0.77 0.90 -0.12 5.21 0.00 -1.12 -4.74 121.76 121.11 1k8h s ALA 27 Ca 0.01 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1k8h s ALA 27 Cb -0.07 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1k8h s ALA 27 CO 0.01 -0.12 -0.17 0.20 0.00 0.00 0.00 175.76 175.68 1k8h s GLY 28 N -2.44 1.15 0.26 0.00 0.00 -1.24 -2.42 107.32 102.64 1k8h s GLY 28 Ca 0.04 -0.87 -0.22 0.00 0.00 0.00 0.00 44.72 43.67 1k8h s GLY 28 CO -0.02 0.20 0.82 -0.42 0.00 0.00 0.00 173.10 173.67 1k8h s ILE 29 N 1.01 4.42 -1.77 0.90 1.01 -1.24 -1.93 121.20 123.61 1k8h s ILE 29 Ca -0.05 1.51 0.22 0.00 0.00 0.00 0.00 60.65 62.32 1k8h s ILE 29 Cb -0.15 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 1k8h s ILE 29 CO -0.03 0.18 1.03 1.33 0.00 0.00 0.00 174.94 177.44 1k8h n VAL 30 N 0.65 0.00 -1.41 2.92 0.24 -1.25 -4.63 118.33 114.84 1k8h n VAL 30 Ca -0.01 -0.21 0.18 0.00 -2.04 0.00 0.00 64.34 62.27 1k8h n VAL 30 Cb 0.51 1.20 -0.06 0.00 -1.47 0.00 0.00 33.84 34.01 1k8h n VAL 30 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1k8h n LEU 31 N -0.35 -0.81 -0.32 1.34 4.32 -1.26 -4.86 117.00 115.05 1k8h n LEU 31 Ca 0.08 1.84 0.00 0.00 -0.02 0.00 0.00 56.01 57.91 1k8h n LEU 31 Cb 0.43 -4.48 0.00 0.00 -1.62 0.00 0.00 43.42 37.75 1k8h n LEU 31 CO 0.31 -3.18 0.23 0.29 -1.22 0.00 0.00 177.39 173.82 1k8h n LYS 32 N -4.24 0.00 0.00 3.23 5.02 -1.26 -5.07 118.16 115.84 1k8h n LYS 32 Ca -0.03 -0.67 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 1k8h n LYS 32 Cb 0.65 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 1k8h n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k8h n GLY 33 N 0.00 1.51 0.46 0.72 0.00 -1.26 -4.73 105.19 101.89 1k8h n GLY 33 Ca 0.00 -0.71 0.27 0.00 0.00 0.00 0.00 46.02 45.58 1k8h n GLY 33 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1k8h h SER 34 N 0.00 0.00 -0.32 1.61 0.02 -1.99 -0.64 113.55 112.23 1k8h h SER 34 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1k8h h SER 34 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1k8h h SER 34 CO 0.00 0.00 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.36 1k8h h GLU 35 N 0.00 0.08 -0.14 3.45 4.39 -1.98 -0.34 114.58 120.05 1k8h h GLU 35 Ca 0.37 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.10 1k8h h GLU 35 Cb 1.85 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.42 1k8h h GLU 35 CO -0.00 0.06 -0.50 0.28 -1.16 0.00 0.00 179.01 177.68 1k8h h VAL 36 N 0.09 0.05 -0.01 3.13 2.07 -1.52 -1.62 116.25 118.44 1k8h h VAL 36 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1k8h h VAL 36 Cb 0.21 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1k8h h VAL 36 CO -0.26 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.43 1k8h h LYS 37 N -0.55 0.03 -0.32 1.57 1.79 -1.67 -1.44 116.57 115.98 1k8h h LYS 37 Ca 0.05 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 1k8h h LYS 37 Cb 0.67 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.23 1k8h h LYS 37 CO -0.43 0.53 -0.31 0.77 -1.08 0.00 0.00 179.45 178.93 1k8h h SER 38 N -0.47 -1.00 -0.06 0.86 0.02 -1.01 -0.33 113.55 111.57 1k8h h SER 38 Ca 0.00 0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1k8h h SER 38 Cb 0.52 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 1k8h h SER 38 CO 0.00 -0.32 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.27 1k8h h LEU 39 N -0.27 0.13 -0.54 5.07 3.38 -1.39 -3.01 115.31 118.67 1k8h h LEU 39 Ca 0.15 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.80 1k8h h LEU 39 Cb 0.52 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 1k8h h LEU 39 CO -0.48 0.53 -0.11 0.03 0.09 0.00 0.00 178.44 178.50 1k8h h ARG 40 N -0.28 0.02 0.20 1.13 3.08 -0.95 -2.71 114.38 114.86 1k8h h ARG 40 Ca 0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1k8h h ARG 40 Cb 0.49 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1k8h h ARG 40 CO 0.01 0.01 -0.19 0.93 -1.07 0.00 0.00 179.97 179.66 1k8h h GLU 41 N 0.02 -0.37 -0.12 0.04 5.08 -1.10 -3.43 114.58 114.69 1k8h h GLU 41 Ca 0.26 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1k8h h GLU 41 Cb 0.41 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.60 1k8h h GLU 41 CO -0.54 -0.25 -0.10 1.17 -1.00 0.00 0.00 179.01 178.29 1k8h n LYS 42 N -3.47 0.11 -1.94 2.33 0.00 -1.07 -4.97 118.16 109.14 1k8h n LYS 42 Ca -0.05 -0.75 -0.29 0.00 0.00 0.00 0.00 58.31 57.22 1k8h n LYS 42 Cb 0.18 0.03 0.13 0.00 0.00 0.00 0.00 35.03 35.37 1k8h n LYS 42 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1k8h s GLY 43 N 0.58 1.68 -0.30 3.14 0.00 -1.05 -4.89 107.32 106.48 1k8h s GLY 43 Ca 0.24 -0.92 -0.11 0.00 0.00 0.00 0.00 44.72 43.94 1k8h s GLY 43 CO -0.10 -0.31 0.73 -0.51 0.00 0.00 0.00 173.10 172.91 1k8h s THR 44 N -3.69 -0.87 -0.28 0.90 -4.23 -1.26 -4.95 115.64 101.27 1k8h s THR 44 Ca 0.67 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.37 1k8h s THR 44 Cb -0.08 -1.00 0.49 0.00 1.34 0.00 0.00 72.50 73.26 1k8h s THR 44 CO 0.50 0.00 1.11 0.52 -0.54 0.00 0.00 174.62 176.22 1k8h n VAL 45 N 5.34 1.52 -3.64 2.29 0.31 -1.26 -3.04 118.33 119.85 1k8h n VAL 45 Ca -0.10 -3.24 -0.40 0.00 -0.01 0.00 0.00 64.34 60.59 1k8h n VAL 45 Cb 0.50 0.70 -0.11 0.00 -0.91 0.00 0.00 33.84 34.01 1k8h n VAL 45 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1k8h s SER 46 N -3.70 5.61 0.00 4.52 1.04 -1.26 -4.57 113.70 115.33 1k8h s SER 46 Ca 0.32 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1k8h s SER 46 Cb 0.35 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.50 1k8h s SER 46 CO -0.02 -0.38 0.00 0.49 0.98 0.00 0.00 173.24 174.31 1k8h n PHE 47 N 4.94 -0.69 -1.83 5.02 3.72 -1.26 -5.04 117.46 122.31 1k8h n PHE 47 Ca -0.12 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.24 1k8h n PHE 47 Cb 0.45 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.12 1k8h n PHE 47 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1k8h n LYS 48 N 0.00 2.21 -0.28 -1.08 4.81 -1.26 -4.62 118.16 117.94 1k8h n LYS 48 Ca 0.00 -3.54 0.01 0.00 -0.87 0.00 0.00 58.31 53.91 1k8h n LYS 48 Cb 0.00 -1.76 0.02 0.00 0.02 0.00 0.00 35.03 33.30 1k8h n LYS 48 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1k8h n ASP 49 N -0.88 0.38 -4.15 3.14 9.92 -1.26 -5.05 116.55 118.65 1k8h n ASP 49 Ca 0.27 -1.83 -0.32 0.00 -0.53 0.00 0.00 54.79 52.37 1k8h n ASP 49 Cb 0.81 -0.16 -0.17 0.00 -0.64 0.00 0.00 41.12 40.97 1k8h n ASP 49 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1k8h s SER 50 N -0.92 2.99 0.16 -2.24 1.04 -1.26 -2.37 113.70 111.10 1k8h s SER 50 Ca 0.04 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 55.92 1k8h s SER 50 Cb 0.03 -1.38 -0.05 0.00 0.10 0.00 0.00 66.02 64.73 1k8h s SER 50 CO 0.00 0.06 -0.04 0.72 0.98 0.00 0.00 173.24 174.97 1k8h s PHE 51 N 0.87 1.23 -0.05 5.02 -0.12 -0.61 -4.79 117.98 119.52 1k8h s PHE 51 Ca -0.06 -0.92 0.04 0.00 -0.05 0.00 0.00 56.93 55.93 1k8h s PHE 51 Cb -0.15 -0.69 0.00 0.00 -0.63 0.00 0.00 43.02 41.55 1k8h s PHE 51 CO -0.02 -0.10 -0.16 0.08 -0.05 0.00 0.00 175.22 174.97 1k8h s VAL 52 N -3.53 1.40 0.01 -2.49 1.01 -1.17 -1.30 120.40 114.33 1k8h s VAL 52 Ca 0.21 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1k8h s VAL 52 Cb 0.05 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1k8h s VAL 52 CO 0.03 0.41 -0.14 -0.13 0.00 0.00 0.00 175.10 175.26 1k8h s ARG 53 N 0.24 1.06 -0.22 2.72 0.52 -0.06 -4.23 118.95 118.98 1k8h s ARG 53 Ca -0.08 -0.59 -0.10 0.00 -0.52 0.00 0.00 55.73 54.44 1k8h s ARG 53 Cb -0.13 -1.04 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 1k8h s ARG 53 CO 0.03 0.28 0.14 0.96 0.02 0.00 0.00 175.30 176.73 1k8h s ILE 54 N -0.51 5.30 0.13 1.52 -4.36 -1.26 -2.01 121.20 120.01 1k8h s ILE 54 Ca 0.04 0.15 0.05 0.00 -0.26 0.00 0.00 60.65 60.63 1k8h s ILE 54 Cb -0.06 -3.45 -0.04 0.00 1.25 0.00 0.00 42.46 40.16 1k8h s ILE 54 CO 0.00 0.38 -0.11 -0.70 0.24 0.00 0.00 174.94 174.75 1k8h s GLU 55 N 0.82 1.00 1.71 0.37 2.12 -1.18 -4.88 118.70 118.67 1k8h s GLU 55 Ca 0.07 -1.32 0.00 0.00 0.36 0.00 0.00 54.97 54.08 1k8h s GLU 55 Cb -0.13 -0.68 0.00 0.00 0.26 0.00 0.00 34.13 33.58 1k8h s GLU 55 CO 0.02 0.11 0.00 -1.71 -0.54 0.00 0.00 175.26 173.14 1k8h n ASN 56 N 0.20 0.00 -0.00 -1.70 2.85 -1.26 -2.19 115.26 113.16 1k8h n ASN 56 Ca -0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 1k8h n ASN 56 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1k8h n ASN 56 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k8h n GLY 57 N 0.00 0.28 3.12 8.20 0.00 -1.26 -4.64 105.19 110.89 1k8h n GLY 57 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.69 -0.04 1.61 2.02 -0.93 -4.41 118.70 117.65 1k8h s GLU 58 Ca 0.00 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 53.81 1k8h s GLU 58 Cb 0.00 -0.58 -0.04 0.00 0.10 0.00 0.00 34.13 33.61 1k8h s GLU 58 CO 0.00 0.12 1.31 0.00 0.02 0.00 0.00 175.26 176.71 1k8h s ALA 59 N -1.37 3.55 -0.07 5.21 0.00 -0.96 -3.13 121.76 124.98 1k8h s ALA 59 Ca -0.05 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1k8h s ALA 59 Cb -0.10 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1k8h s ALA 59 CO 0.01 -0.88 -0.17 -1.58 0.00 0.00 0.00 175.76 173.15 1k8h s TRP 60 N 2.43 2.65 -0.08 0.00 0.52 -0.85 -2.10 118.94 121.51 1k8h s TRP 60 Ca 0.60 -0.45 0.04 0.00 0.02 0.00 0.00 56.10 56.31 1k8h s TRP 60 Cb -0.28 -1.68 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 1k8h s TRP 60 CO 0.24 -0.03 -0.20 -0.48 0.02 0.00 0.00 176.95 176.49 1k8h s LEU 61 N -0.28 2.34 -0.12 2.99 0.05 -1.12 -0.88 118.68 121.65 1k8h s LEU 61 Ca 0.01 -0.42 0.02 0.00 0.05 0.00 0.00 54.13 53.79 1k8h s LEU 61 Cb -0.13 -1.47 0.01 0.00 -2.05 0.00 0.00 46.19 42.56 1k8h s LEU 61 CO 0.03 0.23 -0.17 -0.31 -0.55 0.00 0.00 176.35 175.58 1k8h s TYR 62 N -0.05 2.17 -0.14 3.48 2.02 -0.42 -2.62 117.35 121.80 1k8h s TYR 62 Ca -0.05 -1.06 0.02 0.00 -0.37 0.00 0.00 57.07 55.60 1k8h s TYR 62 Cb -0.14 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1k8h s TYR 62 CO 0.05 -0.53 -0.20 0.54 -1.57 0.00 0.00 175.55 173.83 1k8h s ASN 63 N 0.98 3.29 -0.15 2.29 2.20 -1.26 -1.57 114.94 120.72 1k8h s ASN 63 Ca -0.06 -0.55 0.18 0.00 -0.94 0.00 0.00 52.86 51.50 1k8h s ASN 63 Cb -0.15 -1.48 -0.26 0.00 -2.00 0.00 0.00 41.25 37.37 1k8h s ASN 63 CO -0.02 0.10 0.20 0.18 -2.94 0.00 0.00 177.10 174.62 1k8h n LEU 64 N 3.93 0.09 -4.19 3.54 4.77 -1.00 -4.20 117.00 119.94 1k8h n LEU 64 Ca -0.19 0.04 -0.35 0.00 -0.03 0.00 0.00 56.01 55.48 1k8h n LEU 64 Cb 0.52 0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 41.86 1k8h n LEU 64 CO 0.28 0.41 -0.36 -0.47 -1.33 0.00 0.00 177.39 175.92 1k8h s TYR 65 N -2.66 3.22 0.04 -1.77 6.14 -1.25 -4.41 117.35 116.65 1k8h s TYR 65 Ca -0.09 -1.74 0.05 0.00 0.64 0.00 0.00 57.07 55.93 1k8h s TYR 65 Cb 0.07 -2.11 -0.02 0.00 0.42 0.00 0.00 41.96 40.32 1k8h s TYR 65 CO 0.84 -0.77 -0.15 0.96 0.64 0.00 0.00 175.55 177.07 1k8h s ILE 66 N 1.29 1.20 -0.19 3.14 -4.36 -1.26 -4.81 121.20 116.20 1k8h s ILE 66 Ca -0.04 -1.01 -0.16 0.00 -0.26 0.00 0.00 60.65 59.18 1k8h s ILE 66 Cb -0.19 -1.07 -0.12 0.00 1.25 0.00 0.00 42.46 42.33 1k8h s ILE 66 CO -0.01 0.06 -0.03 0.00 0.24 0.00 0.00 174.94 175.20 1k8h n ALA 67 N 1.94 0.73 -1.61 2.27 0.00 -1.17 -4.96 120.51 117.72 1k8h n ALA 67 Ca -0.18 -0.57 -0.41 0.00 0.00 0.00 0.00 53.44 52.29 1k8h n ALA 67 Cb 0.54 -0.24 0.01 0.00 0.00 0.00 0.00 19.45 19.76 1k8h n ALA 67 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1k8h n PRO 68 N -4.47 1.34 -1.08 0.00 -0.02 -1.26 -4.92 135.00 124.59 1k8h n PRO 68 Ca -0.26 0.48 -0.05 0.00 -2.02 0.00 0.00 63.50 61.65 1k8h n PRO 68 Cb 0.56 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1k8h n PRO 68 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1k8h n TYR 69 N -0.55 -0.18 -3.08 6.00 0.18 -1.26 -5.07 117.16 113.20 1k8h n TYR 69 Ca 0.09 -0.52 -0.23 0.00 1.88 0.00 0.00 57.90 59.12 1k8h n TYR 69 Cb 0.40 0.56 0.01 0.00 -0.38 0.00 0.00 39.34 39.92 1k8h n TYR 69 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1k8h s LYS 70 N 0.01 3.18 -1.72 -3.48 2.47 -1.26 -4.30 119.74 114.65 1k8h s LYS 70 Ca 0.01 -0.45 -0.01 0.00 -1.56 0.00 0.00 55.97 53.96 1k8h s LYS 70 Cb 0.04 -2.58 0.00 0.00 -1.46 0.00 0.00 37.83 33.83 1k8h s LYS 70 CO -0.01 -0.16 0.18 1.58 0.16 0.00 0.00 175.35 177.10 1k8h n HIS 71 N -2.00 -1.29 -1.75 4.03 -0.00 -1.26 -4.88 115.22 108.06 1k8h n HIS 71 Ca -0.00 0.15 -0.03 0.00 0.46 0.00 0.00 57.72 58.30 1k8h n HIS 71 Cb 0.57 -4.13 0.15 0.00 -0.12 0.00 0.00 29.99 26.46 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 -2.47 4.05 0.14 1.57 0.00 -1.26 -4.73 120.51 117.80 1k8h n ALA 72 Ca -0.21 -3.43 -0.01 0.00 0.00 0.00 0.00 53.44 49.79 1k8h n ALA 72 Cb 0.67 -0.35 0.24 0.00 0.00 0.00 0.00 19.45 20.01 1k8h n ALA 72 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1k8h h THR 73 N 1.50 1.35 -3.46 0.00 1.35 -1.91 -3.42 112.91 108.32 1k8h h THR 73 Ca 0.11 -1.68 -0.60 0.00 -0.55 0.00 0.00 66.41 63.69 1k8h h THR 73 Cb 1.18 1.87 -0.10 0.00 -1.73 0.00 0.00 68.15 69.36 1k8h h THR 73 CO 0.23 0.49 -0.00 -0.63 -0.25 0.00 0.00 175.52 175.36 1k8h s ILE 74 N -3.95 5.08 0.34 6.82 1.01 -1.26 -4.93 121.20 124.31 1k8h s ILE 74 Ca -0.03 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1k8h s ILE 74 Cb 0.13 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1k8h s ILE 74 CO 0.76 0.16 0.00 1.21 0.00 0.00 0.00 174.94 177.06 1k8h n GLU 75 N 4.88 -2.77 -2.14 2.79 2.13 -1.26 -4.87 120.64 119.40 1k8h n GLU 75 Ca -0.04 1.87 -0.28 0.00 0.66 0.00 0.00 57.16 59.37 1k8h n GLU 75 Cb 0.50 -3.36 0.05 0.00 0.27 0.00 0.00 31.44 28.90 1k8h n GLU 75 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1k8h s ASN 76 N -6.88 5.37 -0.00 4.31 0.02 -1.26 -4.99 114.94 111.52 1k8h s ASN 76 Ca 0.00 0.85 0.00 0.00 -1.02 0.00 0.00 52.86 52.70 1k8h s ASN 76 Cb 0.00 -1.70 -0.00 0.00 0.02 0.00 0.00 41.25 39.57 1k8h s ASN 76 CO 0.00 -1.29 -0.00 1.57 0.02 0.00 0.00 177.10 177.40 1k8h n HIS 77 N -2.84 0.00 -2.05 2.20 -0.00 -1.26 -5.09 115.22 106.18 1k8h n HIS 77 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1k8h n HIS 77 Cb 0.58 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 1k8h n HIS 77 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1k8h n ASP 78 N -2.46 -8.60 -3.24 0.26 9.92 -1.26 -4.55 116.55 106.61 1k8h n ASP 78 Ca -0.00 1.43 -0.22 0.00 -0.53 0.00 0.00 54.79 55.47 1k8h n ASP 78 Cb 0.50 -4.79 -0.03 0.00 -0.64 0.00 0.00 41.12 36.16 1k8h n ASP 78 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1k8h n PRO 79 N 1.73 0.93 0.00 -0.24 -0.02 -1.26 -3.66 135.00 132.48 1k8h n PRO 79 Ca 0.00 -1.12 0.00 0.00 -2.02 0.00 0.00 63.50 60.36 1k8h n PRO 79 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1k8h n PRO 79 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1k8h n LEU 80 N 5.80 0.00 0.00 2.45 4.77 -1.26 -4.44 117.00 124.32 1k8h n LEU 80 Ca 0.30 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.36 1k8h n LEU 80 Cb 0.18 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1k8h n LEU 80 CO 0.77 -0.33 -0.10 0.54 -1.33 0.00 0.00 177.39 176.93 1k8h n ARG 81 N -2.00 -1.15 -3.51 3.23 5.12 -1.24 -4.17 116.66 112.94 1k8h n ARG 81 Ca 0.00 0.76 -0.14 0.00 -1.93 0.00 0.00 57.85 56.54 1k8h n ARG 81 Cb 0.00 -1.40 -0.05 0.00 -1.16 0.00 0.00 32.46 29.85 1k8h n ARG 81 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1k8h s LYS 82 N -1.24 0.96 0.09 5.56 -2.85 -1.26 -4.20 119.74 116.81 1k8h s LYS 82 Ca 0.00 0.03 0.07 0.00 -1.00 0.00 0.00 55.97 55.07 1k8h s LYS 82 Cb 0.00 0.45 -0.03 0.00 -2.06 0.00 0.00 37.83 36.19 1k8h s LYS 82 CO 0.00 -0.34 -0.18 0.50 0.10 0.00 0.00 175.35 175.42 1k8h s ARG 83 N -1.88 1.01 -0.05 1.78 6.06 -1.08 -5.07 118.95 119.72 1k8h s ARG 83 Ca -0.05 -1.08 0.04 0.00 -2.50 0.00 0.00 55.73 52.14 1k8h s ARG 83 Cb -0.00 -1.18 -0.02 0.00 0.06 0.00 0.00 34.95 33.80 1k8h s ARG 83 CO 0.02 0.27 -0.18 -1.59 -2.50 0.00 0.00 175.30 171.32 1k8h s LYS 84 N -1.84 2.52 -0.03 5.12 -2.85 -1.26 -2.80 119.74 118.60 1k8h s LYS 84 Ca 0.03 -0.76 0.01 0.00 -1.00 0.00 0.00 55.97 54.25 1k8h s LYS 84 Cb -0.10 -2.31 0.02 0.00 -2.06 0.00 0.00 37.83 33.38 1k8h s LYS 84 CO 0.03 0.54 -0.04 -0.51 0.10 0.00 0.00 175.35 175.47 1k8h s LEU 85 N -0.53 1.45 0.00 2.77 1.02 -0.89 -3.95 118.68 118.55 1k8h s LEU 85 Ca 0.07 -0.12 -0.18 0.00 0.02 0.00 0.00 54.13 53.93 1k8h s LEU 85 Cb -0.11 -0.40 0.26 0.00 0.02 0.00 0.00 46.19 45.96 1k8h s LEU 85 CO 0.01 -0.03 0.88 0.18 0.02 0.00 0.00 176.35 177.41 1k8h n LEU 86 N 3.83 0.00 0.00 1.79 4.77 -0.81 -2.26 117.00 124.31 1k8h n LEU 86 Ca -0.23 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1k8h n LEU 86 Cb 0.52 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1k8h n LEU 86 CO 0.24 -2.06 0.00 -0.11 -1.33 0.00 0.00 177.39 174.13 1k8h n LEU 87 N 0.00 0.00 0.00 2.23 -0.00 -1.26 -3.61 117.00 114.36 1k8h n LEU 87 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 1k8h n LEU 87 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1k8h n LEU 87 CO 0.33 0.00 0.00 1.41 -0.00 0.00 0.00 177.39 179.13 1k8h n HIS 88 N 0.00 0.00 0.00 1.96 8.25 -1.26 -5.04 115.22 119.13 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 0.36 0.64 0.00 0.00 176.34 177.34 1k8h n LYS 89 N -0.84 0.00 -0.02 -0.41 2.85 -1.26 -5.00 118.16 113.48 1k8h n LYS 89 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1k8h n LYS 89 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1k8h n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1k8h h ARG 90 N 0.00 0.01 -0.51 -1.58 3.08 -1.99 -3.10 114.38 110.29 1k8h h ARG 90 Ca 0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1k8h h ARG 90 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1k8h h ARG 90 CO 0.00 0.52 -0.12 0.93 -1.07 0.00 0.00 179.97 180.23 1k8h h GLU 91 N -0.49 0.01 -0.19 0.04 5.08 -1.97 -1.74 114.58 115.32 1k8h h GLU 91 Ca 0.00 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1k8h h GLU 91 Cb 0.52 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1k8h h GLU 91 CO 0.00 0.01 -0.04 0.82 -1.00 0.00 0.00 179.01 178.79 1k8h h ILE 92 N 0.01 0.81 0.22 3.13 5.03 -1.86 -0.64 117.51 124.20 1k8h h ILE 92 Ca 0.25 -0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.98 1k8h h ILE 92 Cb 0.38 0.80 -0.01 0.00 -3.03 0.00 0.00 36.82 34.97 1k8h h ILE 92 CO -0.52 0.00 -0.19 -0.03 -0.68 0.00 0.00 178.15 176.73 1k8h h MET 93 N 0.01 -0.39 -0.23 2.37 4.05 -1.28 -0.95 114.93 118.51 1k8h h MET 93 Ca 0.09 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 1k8h h MET 93 Cb 0.14 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 30.95 1k8h h MET 93 CO -0.20 -0.26 -0.32 0.00 0.23 0.00 0.00 176.91 176.36 1k8h h ARG 94 N -0.40 -0.33 0.06 0.39 3.08 -1.35 -1.48 114.38 114.35 1k8h h ARG 94 Ca -0.03 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1k8h h ARG 94 Cb 0.34 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1k8h h ARG 94 CO -0.01 -0.22 -0.53 -0.07 -1.07 0.00 0.00 179.97 178.08 1k8h h LEU 95 N -0.34 -1.61 -0.50 3.04 3.38 -1.11 -1.84 115.31 116.34 1k8h h LEU 95 Ca 0.12 0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.37 1k8h h LEU 95 Cb 0.54 0.60 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 1k8h h LEU 95 CO -0.42 -0.53 -0.12 0.22 0.09 0.00 0.00 178.44 177.68 1k8h h TYR 96 N -0.70 -0.25 -0.26 1.13 3.20 -0.94 0.11 116.97 119.26 1k8h h TYR 96 Ca 0.00 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1k8h h TYR 96 Cb 0.73 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.14 1k8h h TYR 96 CO -0.49 -0.21 -0.07 0.78 -1.64 0.00 0.00 178.16 176.54 1k8h h GLY 97 N 0.00 0.18 0.50 1.82 0.00 -0.87 -1.22 103.07 103.50 1k8h h GLY 97 Ca 0.24 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 1k8h h GLY 97 CO -0.51 -0.10 -0.21 1.70 0.00 0.00 0.00 176.54 177.42 1k8h h LYS 98 N -0.01 -0.57 -0.52 4.80 3.64 -0.84 -1.82 116.57 121.25 1k8h h LYS 98 Ca 0.13 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.65 1k8h h LYS 98 Cb 0.20 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.05 1k8h h LYS 98 CO -0.27 -0.31 -0.12 -0.24 -2.27 0.00 0.00 179.45 176.23 1k8h h VAL 99 N -1.10 0.49 -0.01 2.00 3.04 -1.02 -0.21 116.25 119.45 1k8h h VAL 99 Ca -0.06 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1k8h h VAL 99 Cb 0.52 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1k8h h VAL 99 CO 0.10 0.00 -0.01 -0.61 -1.01 0.00 0.00 177.57 176.04 1k8h h GLN 100 N 0.01 0.02 0.44 4.17 4.15 -1.33 1.42 115.11 123.98 1k8h h GLN 100 Ca 0.25 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 1k8h h GLN 100 Cb 0.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1k8h h GLN 100 CO -0.53 0.53 -0.21 1.49 -1.93 0.00 0.00 178.83 178.18 1k8h h GLU 101 N -0.50 -0.58 -0.59 1.69 4.81 -1.15 -3.32 114.58 114.94 1k8h h GLU 101 Ca 0.00 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.39 1k8h h GLU 101 Cb 0.53 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 1k8h h GLU 101 CO 0.00 -0.31 -0.09 0.87 -0.73 0.00 0.00 179.01 178.75 1k8h h LYS 102 N -1.09 0.04 0.00 1.92 6.56 -1.21 -3.45 116.57 119.34 1k8h h LYS 102 Ca -0.06 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1k8h h LYS 102 Cb 0.53 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1k8h h LYS 102 CO 0.10 0.02 0.00 0.41 -2.06 0.00 0.00 179.45 177.92 1k8h n GLY 103 N -1.39 -0.07 3.24 3.86 0.00 -1.21 -5.11 105.19 104.52 1k8h n GLY 103 Ca 0.07 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 1.22 0.34 1.61 2.02 0.49 -4.41 117.35 118.61 1k8h s TYR 104 Ca 0.00 -0.88 0.07 0.00 -0.37 0.00 0.00 57.07 55.89 1k8h s TYR 104 Cb 0.00 -0.67 -0.07 0.00 -0.40 0.00 0.00 41.96 40.82 1k8h s TYR 104 CO 0.00 -0.06 -0.03 -0.08 -1.57 0.00 0.00 175.55 173.81 1k8h s THR 105 N -3.49 1.83 -0.05 -0.71 -1.32 -1.08 -4.04 115.64 106.78 1k8h s THR 105 Ca 0.19 -2.10 0.04 0.00 -1.21 0.00 0.00 61.69 58.62 1k8h s THR 105 Cb 0.04 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 1k8h s THR 105 CO 0.02 -0.15 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.49 1k8h s ILE 106 N -2.87 1.31 0.07 5.08 1.09 -1.26 -1.69 121.20 122.94 1k8h s ILE 106 Ca 0.33 -0.64 0.03 0.00 -1.10 0.00 0.00 60.65 59.27 1k8h s ILE 106 Cb 0.06 -1.14 -0.03 0.00 -1.06 0.00 0.00 42.46 40.29 1k8h s ILE 106 CO 0.15 0.38 -0.09 0.27 -0.10 0.00 0.00 174.94 175.56 1k8h s ILE 107 N 0.16 0.75 0.57 2.92 -0.00 -1.12 -3.07 121.20 121.42 1k8h s ILE 107 Ca -0.06 -1.44 -0.04 0.00 -0.00 0.00 0.00 60.65 59.11 1k8h s ILE 107 Cb -0.12 -1.10 0.02 0.00 -0.00 0.00 0.00 42.46 41.26 1k8h s ILE 107 CO 0.02 -0.51 0.86 -2.16 -0.00 0.00 0.00 174.94 173.15 1k8h s PRO 108 N -2.40 2.81 0.00 0.37 0.04 -1.26 -2.62 135.00 131.93 1k8h s PRO 108 Ca -0.00 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1k8h s PRO 108 Cb -0.05 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1k8h s PRO 108 CO -0.01 -0.69 0.00 -0.11 0.04 0.00 0.00 177.00 176.23 1k8h n LEU 109 N -2.51 0.00 -4.07 -3.56 7.94 -0.87 -4.84 117.00 109.09 1k8h n LEU 109 Ca 0.05 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.67 1k8h n LEU 109 Cb 0.58 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.36 1k8h n LEU 109 CO 0.51 0.00 -0.49 -0.54 -1.11 0.00 0.00 177.39 175.75 1k8h s LYS 110 N 1.08 2.14 -0.11 1.96 1.02 -1.24 -3.07 119.74 121.51 1k8h s LYS 110 Ca 0.00 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.45 1k8h s LYS 110 Cb 0.00 -1.74 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1k8h s LYS 110 CO 0.00 0.03 -0.15 -0.48 -0.92 0.00 0.00 175.35 173.83 1k8h s LEU 111 N 0.70 1.74 0.09 3.17 2.34 -0.94 -2.80 118.68 122.98 1k8h s LEU 111 Ca -0.13 -0.44 0.02 0.00 0.06 0.00 0.00 54.13 53.64 1k8h s LEU 111 Cb -0.16 -1.12 -0.04 0.00 -0.56 0.00 0.00 46.19 44.32 1k8h s LEU 111 CO 0.03 0.01 -0.08 -0.72 -1.06 0.00 0.00 176.35 174.53 1k8h s TYR 112 N 1.04 0.90 -0.19 3.48 -0.85 -1.04 -2.11 117.35 118.58 1k8h s TYR 112 Ca -0.05 -0.75 -0.03 0.00 -0.52 0.00 0.00 57.07 55.72 1k8h s TYR 112 Cb -0.15 -0.51 -0.01 0.00 0.38 0.00 0.00 41.96 41.67 1k8h s TYR 112 CO -0.03 -0.09 -0.07 1.67 -1.52 0.00 0.00 175.55 175.52 1k8h s TRP 113 N -2.83 2.92 0.03 -3.49 -2.14 -1.01 -1.28 118.94 111.15 1k8h s TRP 113 Ca 0.06 -0.80 0.04 0.00 2.66 0.00 0.00 56.10 58.05 1k8h s TRP 113 Cb -0.00 -2.01 -0.04 0.00 -3.10 0.00 0.00 33.47 28.32 1k8h s TRP 113 CO -0.02 -0.41 -0.07 0.15 -2.66 0.00 0.00 176.95 173.95 1k8h s LYS 114 N 1.04 2.46 0.00 3.25 1.02 -0.51 -3.42 119.74 123.59 1k8h s LYS 114 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1k8h s LYS 114 Cb -0.15 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 1k8h s LYS 114 CO -0.01 0.57 0.00 -1.71 -0.92 0.00 0.00 175.35 173.29 1k8h n ASN 115 N 1.26 0.00 0.00 2.83 5.15 -1.26 -2.70 115.26 120.54 1k8h n ASN 115 Ca -0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 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 2.33 0.00 -4.13 1.20 2.85 -1.26 -5.14 115.26 111.10 1k8h n ASN 116 Ca 0.00 -0.01 -0.09 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 0.76 0.19 1.20 1.02 -1.10 -5.03 119.74 116.78 1k8h s LYS 117 Ca 0.00 -1.31 -0.13 0.00 0.02 0.00 0.00 55.97 54.55 1k8h s LYS 117 Cb 0.00 0.04 -0.07 0.00 -0.52 0.00 0.00 37.83 37.28 1k8h s LYS 117 CO 0.00 -0.10 0.58 0.08 -0.92 0.00 0.00 175.35 174.98 1k8h s VAL 118 N -3.82 4.85 -0.12 3.17 1.01 -1.26 -1.42 120.40 122.81 1k8h s VAL 118 Ca 0.12 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.88 1k8h s VAL 118 Cb 0.07 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1k8h s VAL 118 CO -0.06 0.11 -0.15 -0.75 0.00 0.00 0.00 175.10 174.26 1k8h s LYS 119 N -2.30 2.19 -0.19 2.72 2.20 -0.40 -3.60 119.74 120.36 1k8h s LYS 119 Ca 0.42 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.45 1k8h s LYS 119 Cb -0.14 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.26 1k8h s LYS 119 CO 0.20 -0.10 -0.02 0.08 -0.36 0.00 0.00 175.35 175.14 1k8h s VAL 120 N 1.10 3.79 -0.24 4.02 1.01 -1.01 -2.50 120.40 126.57 1k8h s VAL 120 Ca -0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1k8h s VAL 120 Cb -0.14 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1k8h s VAL 120 CO -0.03 0.44 0.19 -0.22 0.00 0.00 0.00 175.10 175.48 1k8h s LEU 121 N 0.94 4.12 0.08 3.92 0.20 -1.12 -2.79 118.68 124.03 1k8h s LEU 121 Ca 0.01 0.16 0.08 0.00 0.69 0.00 0.00 54.13 55.06 1k8h s LEU 121 Cb -0.14 -2.16 -0.03 0.00 -0.43 0.00 0.00 46.19 43.42 1k8h s LEU 121 CO 0.01 0.04 -0.20 -0.51 -0.29 0.00 0.00 176.35 175.40 1k8h s ILE 122 N 1.12 1.64 0.20 6.68 2.07 -1.13 -2.05 121.20 129.72 1k8h s ILE 122 Ca 0.09 -1.42 0.08 0.00 -1.41 0.00 0.00 60.65 57.99 1k8h s ILE 122 Cb -0.14 -1.48 -0.05 0.00 0.13 0.00 0.00 42.46 40.93 1k8h s ILE 122 CO 0.05 -0.01 -0.16 0.00 -1.91 0.00 0.00 174.94 172.92 1k8h s ALA 123 N -1.07 2.04 -0.24 1.50 0.00 -1.08 -2.32 121.76 120.60 1k8h s ALA 123 Ca 0.06 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.30 1k8h s ALA 123 Cb -0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1k8h s ALA 123 CO 0.03 0.12 0.14 -0.51 0.00 0.00 0.00 175.76 175.55 1k8h s LEU 124 N -3.16 4.03 0.07 0.00 2.01 0.06 -2.79 118.68 118.90 1k8h s LEU 124 Ca 0.21 0.08 -0.02 0.00 0.01 0.00 0.00 54.13 54.41 1k8h s LEU 124 Cb -0.02 -2.08 -0.04 0.00 0.01 0.00 0.00 46.19 44.06 1k8h s LEU 124 CO 0.07 0.06 0.25 0.00 1.01 0.00 0.00 176.35 177.75 1k8h s ALA 125 N 1.06 3.94 0.14 4.21 0.00 -0.68 -0.39 121.76 130.05 1k8h s ALA 125 Ca 0.07 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.38 1k8h s ALA 125 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1k8h s ALA 125 CO 0.04 0.77 -0.22 -1.59 0.00 0.00 0.00 175.76 174.77 1k8h s LYS 126 N -2.45 1.28 -0.34 0.00 0.00 -0.96 -2.63 119.74 114.65 1k8h s LYS 126 Ca 0.35 -1.33 -0.30 0.00 0.00 0.00 0.00 55.97 54.70 1k8h s LYS 126 Cb -0.13 -1.55 -0.08 0.00 0.00 0.00 0.00 37.83 36.08 1k8h s LYS 126 CO 0.26 0.34 2.27 0.41 0.00 0.00 0.00 175.35 178.63 1k8h n GLY 127 N 0.69 0.65 3.63 0.59 0.00 -1.26 -4.08 105.19 105.41 1k8h n GLY 127 Ca -0.16 0.81 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 1k8h n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k8h s LYS 128 N 6.81 0.52 0.32 1.61 2.47 -1.26 -5.03 119.74 125.18 1k8h s LYS 128 Ca 1.04 0.51 0.00 0.00 -1.56 0.00 0.00 55.97 55.96 1k8h s LYS 128 Cb -0.48 0.25 0.00 0.00 -1.46 0.00 0.00 37.83 36.14 1k8h s LYS 128 CO 0.38 -0.08 0.00 1.17 0.16 0.00 0.00 175.35 176.97 1k8h n LYS 129 N 1.95 0.00 -1.81 4.03 0.00 -1.26 -4.23 118.16 116.84 1k8h n LYS 129 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.19 1k8h n LYS 129 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.59 1k8h n LYS 129 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1k8h n LEU 130 N -3.37 -5.75 -3.82 3.14 7.94 -1.26 -5.03 117.00 108.85 1k8h n LEU 130 Ca 0.00 2.91 -0.10 0.00 -1.11 0.00 0.00 56.01 57.72 1k8h n LEU 130 Cb 0.00 -2.83 -0.06 0.00 0.53 0.00 0.00 43.42 41.06 1k8h n LEU 130 CO 0.00 -1.22 0.05 -0.31 -1.11 0.00 0.00 177.39 174.80 1k8h s TYR 131 N -0.96 0.12 0.61 1.96 2.02 -1.26 -5.13 117.35 114.71 1k8h s TYR 131 Ca 0.00 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1k8h s TYR 131 Cb 0.00 0.09 0.00 0.00 -0.40 0.00 0.00 41.96 41.65 1k8h s TYR 131 CO 0.00 -0.71 0.00 -0.25 -1.57 0.00 0.00 175.55 173.02 1k8h n ASP 132 N -0.20 -7.82 0.00 2.29 9.92 -1.26 -5.36 116.55 114.12 1k8h n ASP 132 Ca -0.12 1.53 0.00 0.00 -0.53 0.00 0.00 54.79 55.68 1k8h n ASP 132 Cb 0.63 -4.91 0.00 0.00 -0.64 0.00 0.00 41.12 36.20 1k8h n ASP 132 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87