#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 -4.83 -2.64 1.61 3.00 -1.26 -4.98 118.16 109.07 1k8h n LYS 2 Ca 0.00 3.57 -0.32 0.00 -0.00 0.00 0.00 58.31 61.57 1k8h n LYS 2 Cb 0.00 -4.83 -0.04 0.00 0.00 0.00 0.00 35.03 30.16 1k8h n LYS 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1k8h s SER 3 N -0.62 6.63 0.00 3.14 1.04 -1.26 -5.02 113.70 117.60 1k8h s SER 3 Ca -0.15 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.69 1k8h s SER 3 Cb 0.01 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1k8h s SER 3 CO 0.39 -0.48 0.00 -0.67 0.98 0.00 0.00 173.24 173.47 1k8h n ASP 4 N -1.32 0.00 -1.03 7.02 2.03 -1.26 -5.04 116.55 116.96 1k8h n ASP 4 Ca 0.05 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.30 1k8h n ASP 4 Cb 0.54 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.89 1k8h n ASP 4 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1k8h n LYS 5 N -1.53 0.07 -4.29 -0.67 5.02 -1.26 -5.12 118.16 110.39 1k8h n LYS 5 Ca 0.00 -0.86 -0.34 0.00 -2.02 0.00 0.00 58.31 55.09 1k8h n LYS 5 Cb 0.00 0.49 -0.14 0.00 -0.02 0.00 0.00 35.03 35.36 1k8h n LYS 5 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1k8h s ILE 6 N 0.01 3.29 -0.11 -0.18 1.09 -1.26 -3.58 121.20 120.46 1k8h s ILE 6 Ca 0.00 -0.55 0.02 0.00 -1.10 0.00 0.00 60.65 59.03 1k8h s ILE 6 Cb 0.02 -2.44 0.01 0.00 -1.06 0.00 0.00 42.46 38.99 1k8h s ILE 6 CO -0.01 0.47 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.51 1k8h s ILE 7 N 0.91 1.62 -0.07 2.92 -1.09 -0.87 -5.02 121.20 119.59 1k8h s ILE 7 Ca -0.02 -0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 57.38 1k8h s ILE 7 Cb -0.15 -1.45 -0.02 0.00 -1.58 0.00 0.00 42.46 39.26 1k8h s ILE 7 CO 0.00 0.46 1.04 -2.16 -1.23 0.00 0.00 174.94 173.06 1k8h s PRO 8 N 0.83 4.44 -0.03 2.79 0.04 -1.26 -2.13 135.00 139.68 1k8h s PRO 8 Ca -0.09 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.45 1k8h s PRO 8 Cb -0.16 -3.52 -0.00 0.00 0.04 0.00 0.00 34.50 30.86 1k8h s PRO 8 CO 0.01 -0.28 -0.15 0.42 0.04 0.00 0.00 177.00 177.04 1k8h s ILE 9 N 1.79 1.23 0.32 0.56 1.01 -1.18 -4.96 121.20 119.98 1k8h s ILE 9 Ca 0.51 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1k8h s ILE 9 Cb -0.20 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1k8h s ILE 9 CO 0.21 0.36 0.00 0.00 0.00 0.00 0.00 174.94 175.51 1k8h n ALA 10 N 3.02 -1.71 -3.64 9.38 0.00 -1.26 -1.15 120.51 125.16 1k8h n ALA 10 Ca -0.17 0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.61 1k8h n ALA 10 Cb 0.54 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 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 -4.10 0.70 0.33 0.00 4.04 -1.26 -4.48 118.70 113.93 1k8h s GLU 11 Ca 0.00 1.22 0.04 0.00 0.04 0.00 0.00 54.97 56.26 1k8h s GLU 11 Cb 0.00 0.14 -0.02 0.00 0.02 0.00 0.00 34.13 34.27 1k8h s GLU 11 CO 0.00 -0.15 0.33 1.21 -1.84 0.00 0.00 175.26 174.81 1k8h s ASN 12 N 1.62 1.35 -0.04 0.83 2.47 -1.26 -4.89 114.94 115.02 1k8h s ASN 12 Ca -0.10 -1.65 0.02 0.00 0.42 0.00 0.00 52.86 51.55 1k8h s ASN 12 Cb -0.05 0.58 0.05 0.00 -1.45 0.00 0.00 41.25 40.38 1k8h s ASN 12 CO -0.20 -1.12 0.56 1.17 -3.72 0.00 0.00 177.10 173.79 1k8h n LYS 13 N -0.58 0.16 -0.01 0.43 4.81 -1.26 -4.94 118.16 116.77 1k8h n LYS 13 Ca 0.05 -0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.19 1k8h n LYS 13 Cb 0.62 0.14 -0.10 0.00 0.02 0.00 0.00 35.03 35.71 1k8h n LYS 13 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1k8h h GLU 14 N 0.12 0.01 -0.21 1.64 4.81 -1.95 -3.11 114.58 115.88 1k8h h GLU 14 Ca -0.07 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1k8h h GLU 14 Cb 0.97 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.28 1k8h h GLU 14 CO -0.03 0.50 -0.37 0.00 -0.73 0.00 0.00 179.01 178.38 1k8h h ALA 15 N 0.52 -0.42 -0.59 2.92 0.00 -1.93 -1.83 119.26 117.92 1k8h h ALA 15 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1k8h h ALA 15 Cb 0.49 0.72 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 1k8h h ALA 15 CO 0.00 -0.83 -0.07 -0.22 0.00 0.00 0.00 179.25 178.12 1k8h h LYS 16 N -0.39 0.05 -0.00 0.00 3.64 -1.69 -2.92 116.57 115.26 1k8h h LYS 16 Ca 0.11 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1k8h h LYS 16 Cb 0.58 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1k8h h LYS 16 CO -0.43 0.03 -0.00 0.00 -2.27 0.00 0.00 179.45 176.79 1k8h h ALA 17 N 1.56 -0.48 0.00 5.00 0.00 -1.27 -3.45 119.26 120.63 1k8h h ALA 17 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1k8h h ALA 17 Cb 0.47 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1k8h h ALA 17 CO -0.56 -0.48 0.00 1.17 0.00 0.00 0.00 179.25 179.38 1k8h n LYS 18 N -2.52 0.00 -1.39 0.00 3.00 -1.05 -5.02 118.16 111.18 1k8h n LYS 18 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.31 57.81 1k8h n LYS 18 Cb 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 35.03 34.88 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 -2.59 1.00 -2.27 5.64 4.01 -1.15 -4.83 117.16 116.97 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 -2.38 -0.03 0.00 -0.31 0.00 0.00 39.34 36.63 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 7.71 6.89 0.36 7.72 -1.08 -1.24 -3.99 116.67 133.05 1k8h s ASP 20 Ca 1.24 2.02 -0.22 0.00 -0.52 0.00 0.00 52.55 55.07 1k8h s ASP 20 Cb -1.24 -2.56 -0.10 0.00 -1.46 0.00 0.00 42.92 37.56 1k8h s ASP 20 CO 0.55 -0.71 0.91 -0.51 0.52 0.00 0.00 175.17 175.93 1k8h s ILE 21 N 2.58 4.37 0.08 4.11 2.07 -1.26 -2.44 121.20 130.71 1k8h s ILE 21 Ca 0.62 1.54 0.00 0.00 -1.41 0.00 0.00 60.65 61.40 1k8h s ILE 21 Cb -0.29 -3.77 0.00 0.00 0.13 0.00 0.00 42.46 38.53 1k8h s ILE 21 CO 0.25 -0.10 0.00 -0.11 -1.91 0.00 0.00 174.94 173.06 1k8h n LEU 22 N -0.08 0.19 -4.35 8.50 0.00 -0.14 -4.96 117.00 116.15 1k8h n LEU 22 Ca 0.04 0.13 -0.23 0.00 0.00 0.00 0.00 56.01 55.96 1k8h n LEU 22 Cb 0.52 0.02 -0.11 0.00 0.00 0.00 0.00 43.42 43.85 1k8h n LEU 22 CO 0.41 -0.61 -0.49 -0.70 0.00 0.00 0.00 177.39 175.99 1k8h s GLU 23 N -1.41 1.33 0.09 1.96 2.56 -1.25 -5.00 118.70 116.98 1k8h s GLU 23 Ca 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 54.97 53.55 1k8h s GLU 23 Cb 0.00 -1.43 -0.04 0.00 2.00 0.00 0.00 34.13 34.67 1k8h s GLU 23 CO 0.00 0.29 -0.08 0.95 -0.56 0.00 0.00 175.26 175.87 1k8h s THR 24 N -2.01 0.72 0.40 -1.70 -4.23 -1.26 -0.86 115.64 106.70 1k8h s THR 24 Ca 0.17 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1k8h s THR 24 Cb -0.06 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 1k8h s THR 24 CO 0.07 -0.72 0.08 -0.31 -0.54 0.00 0.00 174.62 173.20 1k8h s TYR 25 N -2.98 1.89 -0.02 3.99 1.51 -0.85 -5.01 117.35 115.88 1k8h s TYR 25 Ca 0.07 -1.09 0.04 0.00 -1.01 0.00 0.00 57.07 55.07 1k8h s TYR 25 Cb 0.01 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1k8h s TYR 25 CO -0.03 -0.07 -0.14 -1.83 -1.11 0.00 0.00 175.55 172.36 1k8h s GLU 26 N -3.80 1.31 0.04 -0.62 -1.05 -1.26 -2.81 118.70 110.52 1k8h s GLU 26 Ca 0.25 -0.51 0.04 0.00 -0.15 0.00 0.00 54.97 54.60 1k8h s GLU 26 Cb 0.05 -1.22 -0.02 0.00 -0.44 0.00 0.00 34.13 32.49 1k8h s GLU 26 CO 0.13 0.26 -0.12 0.00 0.95 0.00 0.00 175.26 176.48 1k8h s ALA 27 N -0.15 1.00 -0.12 -0.84 0.00 -0.99 -4.78 121.76 115.88 1k8h s ALA 27 Ca 0.02 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1k8h s ALA 27 Cb -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1k8h s ALA 27 CO 0.00 0.15 -0.17 0.20 0.00 0.00 0.00 175.76 175.95 1k8h s GLY 28 N -1.28 1.14 0.41 0.00 0.00 -1.26 -1.05 107.32 105.28 1k8h s GLY 28 Ca -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.84 1k8h s GLY 28 CO 0.01 0.19 0.66 -0.42 0.00 0.00 0.00 173.10 173.54 1k8h s ILE 29 N 0.99 5.01 -0.24 0.90 1.01 -1.20 -1.87 121.20 125.81 1k8h s ILE 29 Ca -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1k8h s ILE 29 Cb -0.15 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.50 1k8h s ILE 29 CO -0.03 -0.69 -0.11 0.54 0.00 0.00 0.00 174.94 174.66 1k8h s VAL 30 N -2.50 2.43 0.84 2.92 0.11 -1.26 -4.52 120.40 118.41 1k8h s VAL 30 Ca 0.43 -1.27 -0.13 0.00 -2.93 0.00 0.00 61.98 58.09 1k8h s VAL 30 Cb -0.10 -2.28 0.20 0.00 -1.53 0.00 0.00 36.38 32.67 1k8h s VAL 30 CO 0.40 0.16 0.44 0.18 -3.33 0.00 0.00 175.10 172.95 1k8h n LEU 31 N 4.56 0.00 0.00 2.54 4.32 -1.26 -5.04 117.00 122.12 1k8h n LEU 31 Ca -0.16 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 1k8h n LEU 31 Cb 0.45 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 1k8h n LEU 31 CO 0.24 -2.23 0.00 0.29 -1.22 0.00 0.00 177.39 174.47 1k8h n LYS 32 N -2.93 0.00 0.06 3.23 4.76 -1.26 -5.05 118.16 116.97 1k8h n LYS 32 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1k8h n LYS 32 Cb 0.31 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.50 1k8h n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k8h n GLY 33 N 0.58 -0.21 0.72 0.72 0.00 -1.26 -4.87 105.19 100.87 1k8h n GLY 33 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.95 2.08 -0.01 1.61 3.41 -1.26 -4.22 113.62 112.28 1k8h n SER 34 Ca 0.00 -1.99 -0.12 0.00 -0.26 0.00 0.00 58.87 56.49 1k8h n SER 34 Cb 0.00 -0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 1k8h n SER 34 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1k8h h GLU 35 N 2.28 0.10 -0.11 4.33 4.57 -1.97 -1.20 114.58 122.58 1k8h h GLU 35 Ca 0.00 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 1k8h h GLU 35 Cb 0.52 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 1k8h h GLU 35 CO 0.00 0.34 -0.53 0.28 -1.18 0.00 0.00 179.01 177.93 1k8h h VAL 36 N -0.16 0.02 -0.02 0.32 2.07 -1.96 -1.03 116.25 115.50 1k8h h VAL 36 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1k8h h VAL 36 Cb 0.30 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1k8h h VAL 36 CO 0.00 0.00 -0.02 0.07 0.02 0.00 0.00 177.57 177.64 1k8h h LYS 37 N -0.59 0.05 -0.39 1.57 2.10 -1.85 -1.45 116.57 116.01 1k8h h LYS 37 Ca 0.04 -0.03 0.08 0.00 -2.00 0.00 0.00 60.65 58.74 1k8h h LYS 37 Cb 0.68 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.93 1k8h h LYS 37 CO -0.42 0.54 -0.25 0.77 -2.00 0.00 0.00 179.45 178.09 1k8h h SER 38 N -0.45 -0.85 -0.03 7.07 0.02 -1.15 -0.62 113.55 117.54 1k8h h SER 38 Ca 0.00 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1k8h h SER 38 Cb 0.54 0.42 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1k8h h SER 38 CO 0.01 -0.27 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.32 1k8h h LEU 39 N -0.19 0.08 -0.55 5.07 3.38 -1.27 -2.99 115.31 118.83 1k8h h LEU 39 Ca 0.18 -0.51 0.11 0.00 0.09 0.00 0.00 57.88 57.76 1k8h h LEU 39 Cb 0.48 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 1k8h h LEU 39 CO -0.50 0.57 -0.08 0.08 0.09 0.00 0.00 178.44 178.61 1k8h h ARG 40 N -0.41 0.04 0.11 1.13 0.11 -1.00 -2.24 114.38 112.12 1k8h h ARG 40 Ca 0.00 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1k8h h ARG 40 Cb 0.55 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.62 1k8h h ARG 40 CO 0.01 0.03 -0.11 0.93 0.10 0.00 0.00 179.97 180.93 1k8h h GLU 41 N 0.05 -0.21 -0.74 0.08 4.39 -1.17 -3.44 114.58 113.54 1k8h h GLU 41 Ca 0.28 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.92 1k8h h GLU 41 Cb 0.43 0.05 -0.16 0.00 -0.10 0.00 0.00 28.75 28.96 1k8h h GLU 41 CO -0.53 -0.14 -0.36 0.21 -1.16 0.00 0.00 179.01 177.03 1k8h s LYS 42 N -3.59 0.75 1.03 2.33 2.20 -1.09 -5.13 119.74 116.24 1k8h s LYS 42 Ca -0.04 -0.64 -0.20 0.00 -0.36 0.00 0.00 55.97 54.74 1k8h s LYS 42 Cb 0.01 -0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.34 1k8h s LYS 42 CO 0.12 -0.96 -0.45 0.41 -0.36 0.00 0.00 175.35 174.11 1k8h n GLY 43 N 3.18 -2.58 0.00 5.54 0.00 -0.86 -4.77 105.19 105.69 1k8h n GLY 43 Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.06 0.00 -3.00 2.61 -2.24 -1.26 -4.69 114.28 101.64 1k8h n THR 44 Ca 0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1k8h n THR 44 Cb 0.59 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 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 -4.64 0.00 2.28 3.14 -1.22 -4.72 118.33 113.16 1k8h n VAL 45 Ca 0.00 0.85 0.00 0.00 -2.96 0.00 0.00 64.34 62.23 1k8h n VAL 45 Cb 0.00 -3.88 0.00 0.00 -1.06 0.00 0.00 33.84 28.90 1k8h n VAL 45 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1k8h n SER 46 N 1.76 1.28 -2.87 6.55 7.64 -1.26 -4.56 113.62 122.16 1k8h n SER 46 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1k8h n SER 46 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1k8h n SER 46 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1k8h n PHE 47 N -2.47 -1.78 -2.97 1.43 7.35 -1.26 -4.97 117.46 112.78 1k8h n PHE 47 Ca 0.00 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.39 1k8h n PHE 47 Cb 0.32 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.11 1k8h n PHE 47 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1k8h n LYS 48 N -0.66 3.61 -0.36 -4.13 2.85 -1.26 -4.66 118.16 113.54 1k8h n LYS 48 Ca 0.00 -4.78 0.03 0.00 -1.05 0.00 0.00 58.31 52.51 1k8h n LYS 48 Cb 0.00 -2.30 0.04 0.00 -0.65 0.00 0.00 35.03 32.12 1k8h n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1k8h n ASP 49 N 0.06 0.74 -4.38 -5.58 -0.08 -1.26 -5.05 116.55 101.00 1k8h n ASP 49 Ca 0.34 -2.33 -0.34 0.00 -1.51 0.00 0.00 54.79 50.94 1k8h n ASP 49 Cb 0.37 -0.27 -0.14 0.00 2.34 0.00 0.00 41.12 43.42 1k8h n ASP 49 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1k8h s SER 50 N -1.58 4.39 0.15 1.67 0.01 -1.26 -2.44 113.70 114.65 1k8h s SER 50 Ca 0.10 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.13 1k8h s SER 50 Cb 0.09 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 1k8h s SER 50 CO 0.01 0.07 -0.16 0.72 0.41 0.00 0.00 173.24 174.29 1k8h s PHE 51 N 0.93 1.64 -0.06 2.43 -0.12 -0.11 -4.30 117.98 118.39 1k8h s PHE 51 Ca -0.01 -0.52 0.06 0.00 -0.05 0.00 0.00 56.93 56.41 1k8h s PHE 51 Cb -0.15 -0.82 -0.01 0.00 -0.63 0.00 0.00 43.02 41.41 1k8h s PHE 51 CO 0.01 0.26 -0.23 0.14 -0.05 0.00 0.00 175.22 175.35 1k8h s VAL 52 N -2.24 2.26 -0.12 -2.49 -7.23 -1.23 -1.01 120.40 108.35 1k8h s VAL 52 Ca 0.14 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1k8h s VAL 52 Cb -0.05 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 35.08 1k8h s VAL 52 CO 0.05 0.57 -0.17 -0.60 -0.31 0.00 0.00 175.10 174.64 1k8h s ARG 53 N -0.26 2.42 -0.13 4.82 6.06 -0.87 -4.46 118.95 126.51 1k8h s ARG 53 Ca -0.00 -0.63 -0.27 0.00 -2.50 0.00 0.00 55.73 52.33 1k8h s ARG 53 Cb -0.13 -2.04 -0.01 0.00 0.06 0.00 0.00 34.95 32.82 1k8h s ARG 53 CO 0.03 -0.07 0.90 0.96 -2.50 0.00 0.00 175.30 174.62 1k8h s ILE 54 N 1.00 4.85 -0.03 4.11 -5.25 -1.26 -2.15 121.20 122.46 1k8h s ILE 54 Ca -0.05 1.80 0.06 0.00 -0.99 0.00 0.00 60.65 61.46 1k8h s ILE 54 Cb -0.15 -4.21 -0.02 0.00 2.95 0.00 0.00 42.46 41.03 1k8h s ILE 54 CO -0.03 0.03 -0.20 -0.70 -1.79 0.00 0.00 174.94 172.26 1k8h s GLU 55 N 2.00 2.30 -0.66 0.37 2.56 -1.03 -4.94 118.70 119.31 1k8h s GLU 55 Ca 0.43 -0.82 -0.12 0.00 0.00 0.00 0.00 54.97 54.46 1k8h s GLU 55 Cb -0.17 -2.21 -0.19 0.00 2.00 0.00 0.00 34.13 33.55 1k8h s GLU 55 CO 0.15 0.59 1.56 0.09 -0.56 0.00 0.00 175.26 177.09 1k8h n ASN 56 N 2.32 -0.51 0.00 -1.70 4.13 -1.26 -1.69 115.26 116.55 1k8h n ASN 56 Ca -0.17 -0.17 0.00 0.00 1.68 0.00 0.00 54.58 55.92 1k8h n ASN 56 Cb 0.52 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 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 3.89 1.61 3.37 7.41 0.00 -1.26 -5.11 105.19 115.09 1k8h n GLY 57 Ca 0.44 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 1.62 0.15 1.61 8.01 -0.68 -4.38 118.70 125.03 1k8h s GLU 58 Ca 0.00 -1.72 -0.28 0.00 0.01 0.00 0.00 54.97 52.98 1k8h s GLU 58 Cb 0.00 0.37 -0.07 0.00 -4.31 0.00 0.00 34.13 30.11 1k8h s GLU 58 CO 0.00 -0.62 0.87 0.00 0.01 0.00 0.00 175.26 175.52 1k8h s ALA 59 N -3.61 3.35 0.14 5.21 0.00 -1.19 -2.45 121.76 123.20 1k8h s ALA 59 Ca 0.35 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.87 1k8h s ALA 59 Cb 0.02 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1k8h s ALA 59 CO 0.18 0.15 -0.11 -1.58 0.00 0.00 0.00 175.76 174.40 1k8h s TRP 60 N -0.67 2.68 -0.08 0.00 0.52 -0.91 -2.38 118.94 118.09 1k8h s TRP 60 Ca 0.41 -0.19 0.03 0.00 0.02 0.00 0.00 56.10 56.36 1k8h s TRP 60 Cb -0.24 -1.37 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1k8h s TRP 60 CO 0.28 0.45 -0.17 -0.48 0.02 0.00 0.00 176.95 177.06 1k8h s LEU 61 N -2.44 1.82 -0.12 2.99 0.05 -1.10 -2.06 118.68 117.82 1k8h s LEU 61 Ca 0.22 -0.42 0.02 0.00 0.05 0.00 0.00 54.13 54.01 1k8h s LEU 61 Cb -0.10 -1.08 0.01 0.00 -2.05 0.00 0.00 46.19 42.97 1k8h s LEU 61 CO 0.14 0.08 -0.17 -0.47 -0.55 0.00 0.00 176.35 175.38 1k8h s TYR 62 N 0.59 2.14 -0.12 3.48 6.14 -0.18 -2.71 117.35 126.69 1k8h s TYR 62 Ca -0.15 -1.04 0.03 0.00 0.64 0.00 0.00 57.07 56.54 1k8h s TYR 62 Cb -0.16 -1.52 -0.00 0.00 0.42 0.00 0.00 41.96 40.69 1k8h s TYR 62 CO 0.05 -0.52 -0.21 -0.80 0.64 0.00 0.00 175.55 174.71 1k8h s ASN 63 N 0.99 3.29 -0.01 4.32 0.01 -1.25 -0.93 114.94 121.36 1k8h s ASN 63 Ca -0.06 -0.53 0.14 0.00 -0.71 0.00 0.00 52.86 51.70 1k8h s ASN 63 Cb -0.15 -1.46 -0.19 0.00 0.41 0.00 0.00 41.25 39.86 1k8h s ASN 63 CO -0.02 0.13 0.40 0.18 -1.51 0.00 0.00 177.10 176.28 1k8h n LEU 64 N 3.70 0.23 -4.21 0.60 4.32 -1.02 -2.86 117.00 117.77 1k8h n LEU 64 Ca -0.19 -0.18 -0.36 0.00 -0.02 0.00 0.00 56.01 55.25 1k8h n LEU 64 Cb 0.52 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.19 1k8h n LEU 64 CO 0.28 0.06 -0.31 -0.47 -1.22 0.00 0.00 177.39 175.73 1k8h s TYR 65 N -2.70 3.28 -0.17 -1.77 6.14 -1.26 -4.57 117.35 116.31 1k8h s TYR 65 Ca -0.01 -1.74 0.01 0.00 0.64 0.00 0.00 57.07 55.96 1k8h s TYR 65 Cb 0.09 -2.22 0.02 0.00 0.42 0.00 0.00 41.96 40.27 1k8h s TYR 65 CO 0.56 -0.79 -0.16 0.42 0.64 0.00 0.00 175.55 176.22 1k8h s ILE 66 N 1.30 1.79 -0.06 3.14 1.09 -1.26 -3.45 121.20 123.76 1k8h s ILE 66 Ca -0.03 -0.80 -0.01 0.00 -1.10 0.00 0.00 60.65 58.71 1k8h s ILE 66 Cb -0.20 -1.66 -0.00 0.00 -1.06 0.00 0.00 42.46 39.53 1k8h s ILE 66 CO 0.00 0.47 -0.02 0.00 -0.10 0.00 0.00 174.94 175.29 1k8h h ALA 67 N 8.00 0.00 -3.00 9.38 0.00 -1.91 -3.48 119.26 128.24 1k8h h ALA 67 Ca -0.41 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1k8h h ALA 67 Cb 1.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k8h h ALA 67 CO 0.57 0.06 0.00 -0.35 0.00 0.00 0.00 179.25 179.53 1k8h n PRO 68 N -3.42 -0.55 -4.33 0.00 -0.04 -1.26 -5.09 135.00 120.30 1k8h n PRO 68 Ca -0.01 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 1k8h n PRO 68 Cb 0.03 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.45 1k8h n PRO 68 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1k8h s TYR 69 N -0.79 1.63 -0.11 0.54 1.13 -1.26 -5.00 117.35 113.50 1k8h s TYR 69 Ca 0.00 -0.94 -0.10 0.00 -1.41 0.00 0.00 57.07 54.62 1k8h s TYR 69 Cb 0.00 -1.74 -0.05 0.00 -1.10 0.00 0.00 41.96 39.07 1k8h s TYR 69 CO 0.00 -0.18 -0.21 1.63 -2.51 0.00 0.00 175.55 174.28 1k8h n LYS 70 N -1.56 0.34 0.00 -3.49 5.02 -1.26 -4.96 118.16 112.24 1k8h n LYS 70 Ca -0.12 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1k8h n LYS 70 Cb 0.66 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 1k8h n LYS 70 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1k8h n HIS 71 N -3.95 0.00 -3.43 2.13 8.25 -1.26 -4.96 115.22 111.99 1k8h n HIS 71 Ca -0.18 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.96 1k8h n HIS 71 Cb 0.48 0.39 -0.05 0.00 1.12 0.00 0.00 29.99 31.93 1k8h n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k8h s ALA 72 N -1.88 3.60 -0.10 -1.41 0.00 -1.26 -5.01 121.76 115.71 1k8h s ALA 72 Ca 0.00 -0.34 0.23 0.00 0.00 0.00 0.00 51.96 51.85 1k8h s ALA 72 Cb 0.00 -2.38 0.45 0.00 0.00 0.00 0.00 23.12 21.19 1k8h s ALA 72 CO 0.00 0.49 1.16 -2.37 0.00 0.00 0.00 175.76 175.04 1k8h n THR 73 N -0.21 0.62 -0.01 0.00 5.66 -1.26 -4.84 114.28 114.24 1k8h n THR 73 Ca -0.00 -1.82 -0.02 0.00 -3.05 0.00 0.00 64.05 59.16 1k8h n THR 73 Cb 0.52 0.88 -0.01 0.00 -1.55 0.00 0.00 70.33 70.18 1k8h n THR 73 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1k8h n ILE 74 N 0.02 0.80 -3.61 1.09 5.41 -1.26 -4.94 119.36 116.88 1k8h n ILE 74 Ca 0.09 0.26 -0.27 0.00 1.00 0.00 0.00 62.75 63.83 1k8h n ILE 74 Cb 1.01 -1.65 -0.11 0.00 -0.71 0.00 0.00 39.64 38.19 1k8h n ILE 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1k8h n GLU 75 N -3.35 1.09 -1.99 0.38 -0.58 -1.26 -5.09 120.64 109.84 1k8h n GLU 75 Ca -0.04 -3.85 -0.42 0.00 -0.42 0.00 0.00 57.16 52.43 1k8h n GLU 75 Cb 0.14 -1.96 -0.03 0.00 -0.57 0.00 0.00 31.44 29.02 1k8h n GLU 75 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1k8h s ASN 76 N -0.84 6.65 -0.01 1.62 4.22 -1.26 -4.87 114.94 120.45 1k8h s ASN 76 Ca 0.30 2.35 0.24 0.00 -2.14 0.00 0.00 52.86 53.61 1k8h s ASN 76 Cb 0.02 -2.55 0.41 0.00 1.28 0.00 0.00 41.25 40.40 1k8h s ASN 76 CO -0.17 -0.88 1.16 1.41 -2.04 0.00 0.00 177.10 176.58 1k8h n HIS 77 N 6.18 0.00 -2.78 1.54 8.25 -1.26 -4.92 115.22 122.23 1k8h n HIS 77 Ca 0.16 -0.54 -0.10 0.00 -0.26 0.00 0.00 57.72 56.98 1k8h n HIS 77 Cb 0.42 -0.15 0.06 0.00 1.12 0.00 0.00 29.99 31.44 1k8h n HIS 77 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1k8h n ASP 78 N 0.36 -2.32 0.21 0.41 8.00 -1.26 -5.03 116.55 116.92 1k8h n ASP 78 Ca 0.07 -3.46 -0.14 0.00 0.71 0.00 0.00 54.79 51.96 1k8h n ASP 78 Cb 1.09 1.66 -0.08 0.00 -0.02 0.00 0.00 41.12 43.77 1k8h n ASP 78 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1k8h h PRO 79 N 3.46 -0.52 -6.68 -0.24 0.11 -1.95 -3.45 132.00 122.73 1k8h h PRO 79 Ca -0.10 0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.48 1k8h h PRO 79 Cb 1.05 0.12 0.19 0.00 0.11 0.00 0.00 31.00 32.47 1k8h h PRO 79 CO 0.25 -0.22 -0.35 1.47 -0.21 0.00 0.00 178.00 178.93 1k8h n LEU 80 N -5.22 1.06 0.00 2.35 -0.00 -1.26 -4.72 117.00 109.20 1k8h n LEU 80 Ca -0.10 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 1k8h n LEU 80 Cb 0.28 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.47 1k8h n LEU 80 CO 0.31 -3.02 0.00 0.54 -0.00 0.00 0.00 177.39 175.22 1k8h n ARG 81 N -0.82 0.00 -3.64 1.47 5.12 -1.13 -5.06 116.66 112.59 1k8h n ARG 81 Ca 0.10 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.94 1k8h n ARG 81 Cb 0.50 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.73 1k8h n ARG 81 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1k8h s LYS 82 N -1.98 0.64 0.07 5.56 2.20 -1.26 -3.91 119.74 121.07 1k8h s LYS 82 Ca 0.00 0.92 0.04 0.00 -0.36 0.00 0.00 55.97 56.57 1k8h s LYS 82 Cb 0.00 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 1k8h s LYS 82 CO 0.00 -0.10 -0.11 0.50 -0.36 0.00 0.00 175.35 175.27 1k8h s ARG 83 N 0.89 0.74 -0.14 4.03 6.06 -1.10 -5.06 118.95 124.37 1k8h s ARG 83 Ca -0.04 -0.95 -0.02 0.00 -2.50 0.00 0.00 55.73 52.22 1k8h s ARG 83 Cb -0.05 -0.60 -0.02 0.00 0.06 0.00 0.00 34.95 34.34 1k8h s ARG 83 CO -0.10 0.12 -0.07 -1.59 -2.50 0.00 0.00 175.30 171.16 1k8h s LYS 84 N -1.97 3.51 0.00 5.12 -2.85 -1.26 -2.72 119.74 119.57 1k8h s LYS 84 Ca -0.02 -0.57 0.07 0.00 -1.00 0.00 0.00 55.97 54.44 1k8h s LYS 84 Cb -0.08 -2.80 -0.03 0.00 -2.06 0.00 0.00 37.83 32.86 1k8h s LYS 84 CO 0.01 0.27 -0.22 -0.51 0.10 0.00 0.00 175.35 175.01 1k8h s LEU 85 N 0.26 2.36 1.16 2.77 1.02 -1.00 -4.32 118.68 120.93 1k8h s LEU 85 Ca -0.05 -0.42 -0.17 0.00 0.02 0.00 0.00 54.13 53.51 1k8h s LEU 85 Cb -0.14 -1.42 0.26 0.00 0.02 0.00 0.00 46.19 44.91 1k8h s LEU 85 CO 0.04 0.30 1.10 -0.76 0.02 0.00 0.00 176.35 177.05 1k8h s LEU 86 N -0.96 0.89 -0.10 1.79 1.02 -0.78 -3.20 118.68 117.34 1k8h s LEU 86 Ca 0.12 0.78 -0.32 0.00 0.02 0.00 0.00 54.13 54.73 1k8h s LEU 86 Cb -0.10 -2.62 0.12 0.00 0.02 0.00 0.00 46.19 43.61 1k8h s LEU 86 CO 0.01 -3.90 1.41 -0.22 0.02 0.00 0.00 176.35 173.67 1k8h s LEU 87 N -6.84 -0.00 0.05 1.79 2.96 -1.26 -3.99 118.68 111.38 1k8h s LEU 87 Ca 0.69 -0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1k8h s LEU 87 Cb -0.12 1.00 -0.05 0.00 0.50 0.00 0.00 46.19 47.52 1k8h s LEU 87 CO 0.57 -0.00 0.28 -2.28 -1.32 0.00 0.00 176.35 173.59 1k8h s HIS 88 N -2.00 3.55 0.22 5.38 2.46 -1.26 -4.85 115.29 118.79 1k8h s HIS 88 Ca 0.26 0.51 -0.09 0.00 0.47 0.00 0.00 55.06 56.22 1k8h s HIS 88 Cb 0.03 -1.95 0.23 0.00 -0.13 0.00 0.00 32.58 30.75 1k8h s HIS 88 CO -0.05 0.57 1.86 -0.22 -2.47 0.00 0.00 174.74 174.44 1k8h h LYS 89 N 3.58 0.93 -0.01 2.88 1.63 -2.01 -1.76 116.57 121.81 1k8h h LYS 89 Ca -0.48 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.26 1k8h h LYS 89 Cb 1.18 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1k8h h LYS 89 CO 0.69 0.62 -0.02 0.00 -3.45 0.00 0.00 179.45 177.29 1k8h h ARG 90 N 0.96 0.03 -0.04 1.90 2.47 -1.94 -2.89 114.38 114.88 1k8h h ARG 90 Ca 0.31 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 59.04 1k8h h ARG 90 Cb 0.01 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.28 1k8h h ARG 90 CO -0.11 0.53 -0.51 0.93 0.56 0.00 0.00 179.97 181.37 1k8h h GLU 91 N -0.46 -0.61 -0.39 0.04 5.08 -1.92 -1.58 114.58 114.74 1k8h h GLU 91 Ca 0.00 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1k8h h GLU 91 Cb 0.53 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 1k8h h GLU 91 CO 0.00 -0.40 -0.04 0.97 -1.00 0.00 0.00 179.01 178.54 1k8h h ILE 92 N -0.63 0.66 -0.41 3.13 6.09 -1.43 -1.05 117.51 123.87 1k8h h ILE 92 Ca 0.03 -0.02 0.09 0.00 -1.37 0.00 0.00 64.86 63.58 1k8h h ILE 92 Cb 0.70 0.60 -0.09 0.00 0.47 0.00 0.00 36.82 38.50 1k8h h ILE 92 CO -0.37 0.01 -0.22 0.24 -3.07 0.00 0.00 178.15 174.74 1k8h h MET 93 N 0.06 -0.14 -0.07 2.19 2.86 -1.21 -0.27 114.93 118.34 1k8h h MET 93 Ca 0.19 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1k8h h MET 93 Cb 0.28 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1k8h h MET 93 CO -0.36 -0.09 0.02 0.00 1.06 0.00 0.00 176.91 177.54 1k8h h ARG 94 N -0.14 0.05 -0.07 1.72 2.47 -0.76 -2.75 114.38 114.90 1k8h h ARG 94 Ca 0.20 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.95 1k8h h ARG 94 Cb 0.45 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.70 1k8h h ARG 94 CO -0.50 0.03 -0.49 1.25 0.56 0.00 0.00 179.97 180.83 1k8h h LEU 95 N 0.05 -1.53 0.01 3.04 6.46 -0.23 -1.49 115.31 121.63 1k8h h LEU 95 Ca 0.03 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1k8h h LEU 95 Cb 0.02 0.60 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1k8h h LEU 95 CO -0.04 -0.48 -0.11 0.22 -0.62 0.00 0.00 178.44 177.41 1k8h h TYR 96 N -0.59 -0.32 0.00 1.25 5.03 -1.01 -1.16 116.97 120.17 1k8h h TYR 96 Ca 0.04 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1k8h h TYR 96 Cb 0.68 0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.10 1k8h h TYR 96 CO -0.51 -0.12 0.00 0.41 -1.32 0.00 0.00 178.16 176.62 1k8h n GLY 97 N -1.10 -2.78 0.01 1.82 0.00 -1.05 -1.56 105.19 100.54 1k8h n GLY 97 Ca -0.02 0.28 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 1k8h n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k8h h LYS 98 N 0.00 -0.02 0.00 1.61 1.57 -1.35 -1.25 116.57 117.12 1k8h h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1k8h h LYS 98 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1k8h h LYS 98 CO 0.00 -0.01 0.00 0.28 -0.57 0.00 0.00 179.45 179.15 1k8h n VAL 99 N -2.44 0.00 0.01 0.50 0.31 -0.44 -1.37 118.33 114.90 1k8h n VAL 99 Ca -0.00 1.48 -0.01 0.00 -0.01 0.00 0.00 64.34 65.80 1k8h n VAL 99 Cb 0.01 -2.23 -0.00 0.00 -0.91 0.00 0.00 33.84 30.71 1k8h n VAL 99 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1k8h h GLN 100 N 0.00 -0.04 -0.02 5.55 -0.00 -1.29 1.44 115.11 120.74 1k8h h GLN 100 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.68 1k8h h GLN 100 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.43 1k8h h GLN 100 CO 0.00 -0.03 -0.52 1.49 0.00 0.00 0.00 178.83 179.77 1k8h h GLU 101 N -0.05 -0.62 -0.57 1.69 4.81 -1.17 -2.59 114.58 116.09 1k8h h GLU 101 Ca -0.00 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1k8h h GLU 101 Cb 0.04 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.46 1k8h h GLU 101 CO -0.00 -0.42 -0.11 -0.22 -0.73 0.00 0.00 179.01 177.53 1k8h h LYS 102 N -0.65 0.02 0.00 1.92 3.64 -1.18 -3.45 116.57 116.88 1k8h h LYS 102 Ca 0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1k8h h LYS 102 Cb 0.71 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1k8h h LYS 102 CO -0.37 0.02 0.00 0.41 -2.27 0.00 0.00 179.45 177.24 1k8h n GLY 103 N -1.38 -0.25 3.21 5.01 0.00 -0.87 -5.09 105.19 105.82 1k8h n GLY 103 Ca 0.06 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 1.15 0.13 1.61 1.51 0.49 -4.71 117.35 117.54 1k8h s TYR 104 Ca 0.00 -1.29 0.01 0.00 -1.01 0.00 0.00 57.07 54.78 1k8h s TYR 104 Cb 0.00 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 1k8h s TYR 104 CO 0.00 -0.53 -0.00 -0.08 -1.11 0.00 0.00 175.55 173.83 1k8h s THR 105 N -4.03 0.47 -0.10 -0.71 -1.32 -1.00 -3.84 115.64 105.10 1k8h s THR 105 Ca 0.34 -1.93 0.03 0.00 -1.21 0.00 0.00 61.69 58.92 1k8h s THR 105 Cb 0.07 -1.94 -0.01 0.00 -1.51 0.00 0.00 72.50 69.12 1k8h s THR 105 CO 0.09 -0.62 -0.21 -0.63 -2.21 0.00 0.00 174.62 171.04 1k8h s ILE 106 N -3.79 2.32 -0.01 5.08 1.09 -1.26 -2.52 121.20 122.11 1k8h s ILE 106 Ca 0.19 -0.93 0.04 0.00 -1.10 0.00 0.00 60.65 58.86 1k8h s ILE 106 Cb 0.07 -1.91 -0.01 0.00 -1.06 0.00 0.00 42.46 39.55 1k8h s ILE 106 CO -0.00 0.55 -0.15 0.27 -0.10 0.00 0.00 174.94 175.52 1k8h s ILE 107 N 0.26 1.16 0.39 2.92 -4.36 -1.10 -3.51 121.20 116.96 1k8h s ILE 107 Ca -0.15 -0.62 -0.19 0.00 -0.26 0.00 0.00 60.65 59.43 1k8h s ILE 107 Cb -0.17 -0.97 -0.10 0.00 1.25 0.00 0.00 42.46 42.47 1k8h s ILE 107 CO 0.07 0.33 0.89 -2.16 0.24 0.00 0.00 174.94 174.31 1k8h s PRO 108 N -0.30 4.18 0.00 0.37 0.04 -1.26 -2.28 135.00 135.75 1k8h s PRO 108 Ca 0.05 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1k8h s PRO 108 Cb -0.06 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1k8h s PRO 108 CO -0.00 0.04 0.00 1.28 0.04 0.00 0.00 177.00 178.36 1k8h n LEU 109 N -0.49 0.00 -4.09 -3.56 4.77 -1.03 -4.93 117.00 107.66 1k8h n LEU 109 Ca 0.06 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.82 1k8h n LEU 109 Cb 0.54 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1k8h n LEU 109 CO 0.39 0.00 -0.47 -1.59 -1.33 0.00 0.00 177.39 174.39 1k8h s LYS 110 N 1.15 1.06 -0.13 3.23 0.00 -1.26 -4.22 119.74 119.57 1k8h s LYS 110 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 55.97 55.51 1k8h s LYS 110 Cb 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 37.83 36.82 1k8h s LYS 110 CO 0.00 0.28 -0.16 -0.48 0.00 0.00 0.00 175.35 174.99 1k8h s LEU 111 N -0.31 1.80 0.08 2.77 2.34 -0.30 -2.85 118.68 122.21 1k8h s LEU 111 Ca 0.05 -0.49 0.08 0.00 0.06 0.00 0.00 54.13 53.83 1k8h s LEU 111 Cb -0.05 -1.21 -0.03 0.00 -0.56 0.00 0.00 46.19 44.34 1k8h s LEU 111 CO -0.00 0.00 -0.21 -0.72 -1.06 0.00 0.00 176.35 174.36 1k8h s TYR 112 N 1.14 1.78 -0.23 3.48 1.13 -1.03 -3.11 117.35 120.51 1k8h s TYR 112 Ca -0.02 -0.40 -0.08 0.00 -1.41 0.00 0.00 57.07 55.15 1k8h s TYR 112 Cb -0.14 -1.01 -0.04 0.00 -1.10 0.00 0.00 41.96 39.68 1k8h s TYR 112 CO -0.05 0.17 0.09 1.67 -2.51 0.00 0.00 175.55 174.91 1k8h s TRP 113 N -1.04 3.17 0.07 -3.49 -2.14 -0.91 -1.75 118.94 112.85 1k8h s TRP 113 Ca 0.07 -0.12 0.06 0.00 2.66 0.00 0.00 56.10 58.76 1k8h s TRP 113 Cb -0.10 -2.21 -0.04 0.00 -3.10 0.00 0.00 33.47 28.03 1k8h s TRP 113 CO 0.03 -0.13 -0.10 0.21 -2.66 0.00 0.00 176.95 174.31 1k8h s LYS 114 N 1.18 2.26 0.00 3.25 2.20 -0.40 -2.06 119.74 126.17 1k8h s LYS 114 Ca 0.05 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1k8h s LYS 114 Cb -0.14 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1k8h s LYS 114 CO 0.04 0.54 0.00 -1.71 -0.36 0.00 0.00 175.35 173.86 1k8h n ASN 115 N 1.04 0.00 0.00 1.43 5.15 -1.23 -2.65 115.26 118.99 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 2.25 0.00 -4.22 1.20 5.15 -1.26 -4.97 115.26 113.42 1k8h n ASN 116 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 1k8h n ASN 116 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1k8h n ASN 116 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1k8h s LYS 117 N 0.00 1.02 0.15 1.20 -2.85 -1.08 -5.03 119.74 113.15 1k8h s LYS 117 Ca 0.00 -1.47 -0.19 0.00 -1.00 0.00 0.00 55.97 53.31 1k8h s LYS 117 Cb 0.00 -0.24 -0.07 0.00 -2.06 0.00 0.00 37.83 35.46 1k8h s LYS 117 CO 0.00 -0.09 0.65 0.08 0.10 0.00 0.00 175.35 176.08 1k8h s VAL 118 N -3.65 4.66 -0.11 1.79 1.01 -1.26 -1.28 120.40 121.55 1k8h s VAL 118 Ca 0.20 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.41 1k8h s VAL 118 Cb 0.06 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1k8h s VAL 118 CO 0.01 0.36 -0.15 -0.75 0.00 0.00 0.00 175.10 174.57 1k8h s LYS 119 N -1.62 2.18 -0.21 2.72 2.36 -0.72 -3.21 119.74 121.24 1k8h s LYS 119 Ca 0.37 -0.54 -0.07 0.00 -2.55 0.00 0.00 55.97 53.18 1k8h s LYS 119 Cb -0.18 -1.89 -0.03 0.00 -1.05 0.00 0.00 37.83 34.68 1k8h s LYS 119 CO 0.21 -0.09 0.06 0.08 1.55 0.00 0.00 175.35 177.15 1k8h s VAL 120 N 1.08 4.47 -0.21 4.02 1.01 -0.22 -2.47 120.40 128.07 1k8h s VAL 120 Ca -0.05 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1k8h s VAL 120 Cb -0.15 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1k8h s VAL 120 CO -0.03 0.40 0.35 -0.22 0.00 0.00 0.00 175.10 175.60 1k8h s LEU 121 N 0.98 4.14 -0.09 3.92 0.20 -1.13 -2.35 118.68 124.33 1k8h s LEU 121 Ca 0.03 0.41 0.02 0.00 0.69 0.00 0.00 54.13 55.29 1k8h s LEU 121 Cb -0.14 -2.42 -0.02 0.00 -0.43 0.00 0.00 46.19 43.18 1k8h s LEU 121 CO 0.03 -0.05 -0.16 0.27 -0.29 0.00 0.00 176.35 176.14 1k8h s ILE 122 N 1.31 2.79 -0.12 6.68 -4.36 -1.12 -2.47 121.20 123.91 1k8h s ILE 122 Ca 0.16 -0.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 1k8h s ILE 122 Cb -0.15 -2.12 -0.02 0.00 1.25 0.00 0.00 42.46 41.43 1k8h s ILE 122 CO 0.07 0.55 -0.12 0.00 0.24 0.00 0.00 174.94 175.68 1k8h s ALA 123 N -0.03 2.67 -0.13 2.27 0.00 -0.97 -2.01 121.76 123.56 1k8h s ALA 123 Ca -0.04 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 1k8h s ALA 123 Cb -0.14 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 1k8h s ALA 123 CO 0.04 0.29 0.30 -0.51 0.00 0.00 0.00 175.76 175.89 1k8h s LEU 124 N 0.19 4.29 0.17 0.00 1.43 -0.04 -2.73 118.68 121.99 1k8h s LEU 124 Ca -0.07 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1k8h s LEU 124 Cb -0.15 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1k8h s LEU 124 CO 0.05 0.15 0.05 0.00 0.23 0.00 0.00 176.35 176.83 1k8h s ALA 125 N 0.14 1.18 0.28 4.21 0.00 -1.05 -0.96 121.76 125.57 1k8h s ALA 125 Ca 0.18 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.58 1k8h s ALA 125 Cb -0.13 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1k8h s ALA 125 CO 0.05 -0.44 0.20 -1.59 0.00 0.00 0.00 175.76 173.99 1k8h s LYS 126 N -4.01 1.52 0.00 0.00 -2.85 -1.02 -2.38 119.74 110.99 1k8h s LYS 126 Ca 0.28 -1.86 0.00 0.00 -1.00 0.00 0.00 55.97 53.39 1k8h s LYS 126 Cb 0.07 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1k8h s LYS 126 CO 0.05 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 175.39 1k8h n GLY 127 N -0.48 2.09 2.48 0.59 0.00 -1.26 -3.58 105.19 105.02 1k8h n GLY 127 Ca 0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 1k8h n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k8h n LYS 128 N 0.00 -4.71 -1.55 1.61 4.81 -1.26 -4.68 118.16 112.37 1k8h n LYS 128 Ca 0.00 3.51 -0.27 0.00 -0.87 0.00 0.00 58.31 60.68 1k8h n LYS 128 Cb 0.00 -4.87 -0.05 0.00 0.02 0.00 0.00 35.03 30.13 1k8h n LYS 128 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1k8h n LYS 129 N 1.71 0.81 -3.49 1.64 5.02 -1.26 -4.84 118.16 117.75 1k8h n LYS 129 Ca -0.28 -0.34 -0.11 0.00 -2.02 0.00 0.00 58.31 55.56 1k8h n LYS 129 Cb 0.44 -3.46 -0.03 0.00 -0.02 0.00 0.00 35.03 31.95 1k8h n LYS 129 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1k8h s LEU 130 N 13.01 -0.48 0.57 -0.35 0.20 -1.26 -5.17 118.68 125.20 1k8h s LEU 130 Ca 0.98 0.19 -0.15 0.00 0.69 0.00 0.00 54.13 55.84 1k8h s LEU 130 Cb -0.20 2.25 -0.05 0.00 -0.43 0.00 0.00 46.19 47.77 1k8h s LEU 130 CO 0.20 -0.68 1.02 -0.72 -0.29 0.00 0.00 176.35 175.88 1k8h s TYR 131 N -2.65 3.36 -0.63 5.38 -0.85 -1.26 -4.44 117.35 116.26 1k8h s TYR 131 Ca -0.00 1.44 -0.06 0.00 -0.52 0.00 0.00 57.07 57.93 1k8h s TYR 131 Cb -0.01 -2.83 0.01 0.00 0.38 0.00 0.00 41.96 39.51 1k8h s TYR 131 CO -0.05 -0.67 0.67 -0.25 -1.52 0.00 0.00 175.55 173.72 1k8h n ASP 132 N -2.05 -7.84 0.00 -0.18 9.92 -1.26 -5.24 116.55 109.90 1k8h n ASP 132 Ca 0.07 0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 1k8h n ASP 132 Cb 0.54 -5.32 0.00 0.00 -0.64 0.00 0.00 41.12 35.70 1k8h n ASP 132 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22