#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 0.68 -0.01 1.61 1.02 -1.26 -5.05 119.74 116.72 1k8h s LYS 2 Ca 0.00 -0.67 -0.16 0.00 0.02 0.00 0.00 55.97 55.16 1k8h s LYS 2 Cb 0.00 -0.60 -0.33 0.00 -0.52 0.00 0.00 37.83 36.38 1k8h s LYS 2 CO 0.00 0.14 0.87 0.66 -0.92 0.00 0.00 175.35 176.10 1k8h h SER 3 N 4.93 0.69 -4.01 2.83 4.64 -2.08 -3.48 113.55 117.07 1k8h h SER 3 Ca -0.36 -0.93 -0.34 0.00 -0.47 0.00 0.00 61.79 59.70 1k8h h SER 3 Cb 1.19 -0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 62.97 1k8h h SER 3 CO 0.44 1.66 -0.32 0.47 -0.87 0.00 0.00 176.83 178.20 1k8h n ASP 4 N -3.80 -0.26 -4.86 4.97 8.00 -1.26 -5.18 116.55 114.16 1k8h n ASP 4 Ca -0.19 -2.52 -0.21 0.00 0.71 0.00 0.00 54.79 52.58 1k8h n ASP 4 Cb 1.03 1.10 -0.03 0.00 -0.02 0.00 0.00 41.12 43.19 1k8h n ASP 4 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1k8h s LYS 5 N -2.96 2.67 0.13 -1.24 2.47 -1.26 -5.00 119.74 114.55 1k8h s LYS 5 Ca 0.26 -1.37 -0.29 0.00 -1.56 0.00 0.00 55.97 53.01 1k8h s LYS 5 Cb 0.01 -2.46 -0.07 0.00 -1.46 0.00 0.00 37.83 33.86 1k8h s LYS 5 CO 0.18 -0.00 0.92 0.42 0.16 0.00 0.00 175.35 177.03 1k8h s ILE 6 N -2.36 4.43 -0.17 5.43 -1.09 -1.26 -4.84 121.20 121.34 1k8h s ILE 6 Ca 0.44 2.00 -0.02 0.00 -2.23 0.00 0.00 60.65 60.84 1k8h s ILE 6 Cb -0.05 -4.29 -0.01 0.00 -1.58 0.00 0.00 42.46 36.53 1k8h s ILE 6 CO 0.27 0.37 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.63 1k8h s ILE 7 N -0.31 3.15 0.17 2.92 1.01 -1.21 -5.06 121.20 121.86 1k8h s ILE 7 Ca 0.44 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 1k8h s ILE 7 Cb -0.24 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.78 1k8h s ILE 7 CO 0.29 0.48 0.58 -2.16 0.00 0.00 0.00 174.94 174.13 1k8h s PRO 8 N 0.91 4.01 0.27 2.79 0.04 -1.26 -2.35 135.00 139.42 1k8h s PRO 8 Ca -0.02 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1k8h s PRO 8 Cb -0.15 -2.90 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 1k8h s PRO 8 CO 0.00 0.45 0.27 0.42 0.04 0.00 0.00 177.00 178.18 1k8h s ILE 9 N -1.50 0.00 0.24 0.56 -1.09 -0.76 -4.95 121.20 113.69 1k8h s ILE 9 Ca 0.39 -1.88 0.00 0.00 -2.23 0.00 0.00 60.65 56.93 1k8h s ILE 9 Cb -0.15 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.24 1k8h s ILE 9 CO 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 174.94 173.90 1k8h n ALA 10 N -0.44 -3.04 -3.63 9.38 0.00 -1.23 -2.40 120.51 119.15 1k8h n ALA 10 Ca 0.03 0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.78 1k8h n ALA 10 Cb 0.64 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1k8h n ALA 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1k8h s GLU 11 N -2.42 0.13 0.13 0.00 2.12 -0.25 -4.58 118.70 113.83 1k8h s GLU 11 Ca 0.00 -0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.34 1k8h s GLU 11 Cb 0.00 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 1k8h s GLU 11 CO 0.00 -0.05 -0.10 1.21 -0.54 0.00 0.00 175.26 175.77 1k8h s ASN 12 N -1.87 1.68 0.00 -1.70 3.84 -1.24 -4.72 114.94 110.94 1k8h s ASN 12 Ca 0.10 -0.95 0.00 0.00 0.21 0.00 0.00 52.86 52.22 1k8h s ASN 12 Cb -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 41.25 40.69 1k8h s ASN 12 CO -0.04 -0.31 0.00 0.29 -2.79 0.00 0.00 177.10 174.25 1k8h n LYS 13 N 0.04 0.00 -0.02 0.43 4.76 -1.26 -4.99 118.16 117.12 1k8h n LYS 13 Ca -0.12 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.19 1k8h n LYS 13 Cb 0.60 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.70 1k8h n LYS 13 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1k8h h GLU 14 N 0.00 0.06 -0.03 1.97 5.08 -2.00 -2.93 114.58 116.73 1k8h h GLU 14 Ca 0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1k8h h GLU 14 Cb 0.00 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1k8h h GLU 14 CO 0.00 0.47 -0.50 0.00 -1.00 0.00 0.00 179.01 177.98 1k8h h ALA 15 N 0.59 -0.91 -0.57 3.43 0.00 -1.94 -1.99 119.26 117.88 1k8h h ALA 15 Ca 0.01 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1k8h h ALA 15 Cb 0.45 0.94 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 1k8h h ALA 15 CO 0.00 -1.06 -0.08 -0.22 0.00 0.00 0.00 179.25 177.89 1k8h h LYS 16 N -0.60 0.04 0.01 0.00 3.64 -1.65 1.09 116.57 119.09 1k8h h LYS 16 Ca 0.02 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1k8h h LYS 16 Cb 0.66 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1k8h h LYS 16 CO -0.35 0.03 -0.22 0.00 -2.27 0.00 0.00 179.45 176.63 1k8h h ALA 17 N 1.55 -0.69 -0.72 5.00 0.00 -1.19 -3.10 119.26 120.10 1k8h h ALA 17 Ca 0.28 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.85 1k8h h ALA 17 Cb 0.44 0.69 -0.18 0.00 0.00 0.00 0.00 17.79 18.74 1k8h h ALA 17 CO -0.55 -0.76 0.32 1.63 0.00 0.00 0.00 179.25 179.90 1k8h n LYS 18 N -3.73 2.75 -3.65 0.00 5.02 -0.81 -4.88 118.16 112.85 1k8h n LYS 18 Ca -0.03 -3.07 -0.04 0.00 -2.02 0.00 0.00 58.31 53.15 1k8h n LYS 18 Cb 0.17 -2.10 -0.06 0.00 -0.02 0.00 0.00 35.03 33.02 1k8h n LYS 18 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1k8h s TYR 19 N -3.15 -1.11 0.05 2.13 1.51 0.38 -4.75 117.35 112.40 1k8h s TYR 19 Ca 0.53 2.02 -0.30 0.00 -1.01 0.00 0.00 57.07 58.30 1k8h s TYR 19 Cb 0.44 0.61 -0.05 0.00 -0.11 0.00 0.00 41.96 42.85 1k8h s TYR 19 CO 0.09 -0.58 1.17 -0.51 -1.11 0.00 0.00 175.55 174.62 1k8h s ASP 20 N 2.58 7.11 0.37 2.29 1.01 -1.26 -3.65 116.67 125.12 1k8h s ASP 20 Ca -0.05 1.96 -0.21 0.00 0.71 0.00 0.00 52.55 54.96 1k8h s ASP 20 Cb -0.11 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.14 1k8h s ASP 20 CO -0.17 -0.45 0.90 -0.63 0.21 0.00 0.00 175.17 175.03 1k8h s ILE 21 N 1.13 4.40 0.00 0.77 1.09 -1.26 -2.32 121.20 125.00 1k8h s ILE 21 Ca 0.58 1.49 0.00 0.00 -1.10 0.00 0.00 60.65 61.62 1k8h s ILE 21 Cb -0.28 -3.74 0.00 0.00 -1.06 0.00 0.00 42.46 37.38 1k8h s ILE 21 CO 0.29 -0.13 0.00 0.18 -0.10 0.00 0.00 174.94 175.18 1k8h n LEU 22 N -0.15 0.00 -4.55 2.97 4.77 -0.78 -4.94 117.00 114.32 1k8h n LEU 22 Ca 0.04 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.76 1k8h n LEU 22 Cb 0.53 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1k8h n LEU 22 CO 0.40 -0.07 -0.36 -0.70 -1.33 0.00 0.00 177.39 175.33 1k8h s GLU 23 N -0.14 1.84 0.11 3.23 2.12 -1.25 -4.99 118.70 119.62 1k8h s GLU 23 Ca 0.00 -1.97 0.01 0.00 0.36 0.00 0.00 54.97 53.37 1k8h s GLU 23 Cb 0.00 -1.66 -0.04 0.00 0.26 0.00 0.00 34.13 32.69 1k8h s GLU 23 CO 0.00 0.09 -0.03 0.95 -0.54 0.00 0.00 175.26 175.73 1k8h s THR 24 N -2.66 0.50 0.33 -1.70 -4.23 -1.26 -0.91 115.64 105.72 1k8h s THR 24 Ca 0.33 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1k8h s THR 24 Cb 0.04 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1k8h s THR 24 CO 0.17 -0.77 0.16 -0.31 -0.54 0.00 0.00 174.62 173.33 1k8h s TYR 25 N -3.75 1.68 -0.09 3.99 2.02 -0.52 -5.01 117.35 115.66 1k8h s TYR 25 Ca 0.15 -1.36 0.03 0.00 -0.37 0.00 0.00 57.07 55.51 1k8h s TYR 25 Cb 0.06 -0.93 0.01 0.00 -0.40 0.00 0.00 41.96 40.70 1k8h s TYR 25 CO -0.03 -0.48 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.08 1k8h s GLU 26 N -3.75 2.30 -0.12 -0.62 2.02 -1.26 -2.71 118.70 114.56 1k8h s GLU 26 Ca 0.33 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.73 1k8h s GLU 26 Cb 0.04 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.43 1k8h s GLU 26 CO 0.18 0.04 -0.17 0.00 0.02 0.00 0.00 175.26 175.33 1k8h s ALA 27 N 0.68 1.82 -0.20 5.21 0.00 -0.85 -4.85 121.76 123.57 1k8h s ALA 27 Ca -0.13 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 1k8h s ALA 27 Cb -0.16 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1k8h s ALA 27 CO 0.03 -0.09 -0.01 0.20 0.00 0.00 0.00 175.76 175.89 1k8h s GLY 28 N 0.99 1.70 0.48 0.00 0.00 -1.23 -0.94 107.32 108.33 1k8h s GLY 28 Ca -0.06 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 43.59 1k8h s GLY 28 CO -0.02 0.22 0.83 -0.42 0.00 0.00 0.00 173.10 173.70 1k8h s ILE 29 N 0.97 4.82 -0.30 0.90 1.01 -1.01 -1.41 121.20 126.18 1k8h s ILE 29 Ca 0.01 0.51 -0.07 0.00 0.00 0.00 0.00 60.65 61.10 1k8h s ILE 29 Cb -0.14 -3.82 0.15 0.00 0.01 0.00 0.00 42.46 38.66 1k8h s ILE 29 CO 0.02 -0.79 0.63 0.54 0.00 0.00 0.00 174.94 175.34 1k8h s VAL 30 N -2.69 -0.99 0.02 2.92 0.11 -1.25 -4.58 120.40 113.93 1k8h s VAL 30 Ca 0.51 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.38 1k8h s VAL 30 Cb -0.10 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.81 1k8h s VAL 30 CO 0.41 0.00 0.82 0.00 -3.33 0.00 0.00 175.10 173.00 1k8h n LEU 31 N 5.44 0.00 -3.65 2.54 -0.00 -1.26 -4.91 117.00 115.16 1k8h n LEU 31 Ca -0.09 -0.45 -0.02 0.00 -0.00 0.00 0.00 56.01 55.45 1k8h n LEU 31 Cb 0.50 1.41 -0.07 0.00 -0.00 0.00 0.00 43.42 45.26 1k8h n LEU 31 CO -0.02 -0.15 1.04 -0.75 -0.00 0.00 0.00 177.39 177.51 1k8h s LYS 32 N -2.02 0.12 0.00 1.47 2.20 -1.26 -4.97 119.74 115.29 1k8h s LYS 32 Ca 0.19 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1k8h s LYS 32 Cb -0.01 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1k8h s LYS 32 CO 0.01 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1k8h n GLY 33 N 2.23 0.60 0.00 5.54 0.00 -1.26 -4.96 105.19 107.33 1k8h n GLY 33 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1k8h n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k8h n SER 34 N 0.00 0.00 -0.19 1.61 2.88 -1.26 -5.00 113.62 111.66 1k8h n SER 34 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1k8h n SER 34 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1k8h n SER 34 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1k8h h GLU 35 N 0.00 0.09 -0.16 -1.46 4.39 -1.98 0.09 114.58 115.56 1k8h h GLU 35 Ca 0.00 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1k8h h GLU 35 Cb 0.00 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.56 1k8h h GLU 35 CO 0.00 0.06 -0.49 0.28 -1.16 0.00 0.00 179.01 177.70 1k8h h VAL 36 N 0.09 0.06 -0.01 3.13 2.07 -1.94 -1.03 116.25 118.61 1k8h h VAL 36 Ca 0.30 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.81 1k8h h VAL 36 Cb 0.47 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1k8h h VAL 36 CO -0.52 0.00 -0.02 0.11 0.02 0.00 0.00 177.57 177.17 1k8h h LYS 37 N -0.53 0.04 -0.43 1.57 6.56 -1.90 -1.62 116.57 120.26 1k8h h LYS 37 Ca 0.06 -0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.72 1k8h h LYS 37 Cb 0.66 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.22 1k8h h LYS 37 CO -0.44 0.53 -0.22 0.77 -2.06 0.00 0.00 179.45 178.03 1k8h h SER 38 N -0.46 -0.76 -0.03 0.86 0.02 -0.90 -0.98 113.55 111.31 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 0.53 0.40 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1k8h h SER 38 CO 0.00 -0.25 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.34 1k8h h LEU 39 N -0.14 0.08 -0.51 5.07 3.38 -1.27 -1.46 115.31 120.46 1k8h h LEU 39 Ca 0.21 -0.53 0.10 0.00 0.09 0.00 0.00 57.88 57.75 1k8h h LEU 39 Cb 0.46 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 1k8h h LEU 39 CO -0.52 0.59 -0.11 0.08 0.09 0.00 0.00 178.44 178.56 1k8h h ARG 40 N -0.44 0.01 0.20 1.13 0.11 -1.00 -0.96 114.38 113.44 1k8h h ARG 40 Ca 0.00 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1k8h h ARG 40 Cb 0.57 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1k8h h ARG 40 CO 0.01 0.01 -0.10 0.93 0.10 0.00 0.00 179.97 180.92 1k8h h GLU 41 N 0.01 -0.26 0.00 0.08 5.08 -1.26 -3.38 114.58 114.84 1k8h h GLU 41 Ca 0.25 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1k8h h GLU 41 Cb 0.38 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1k8h h GLU 41 CO -0.52 0.13 0.00 1.17 -1.00 0.00 0.00 179.01 178.79 1k8h n LYS 42 N -5.00 0.00 -2.12 2.33 4.81 -0.55 -4.94 118.16 112.69 1k8h n LYS 42 Ca -0.08 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1k8h n LYS 42 Cb 0.26 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.29 1k8h n LYS 42 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k8h n GLY 43 N -0.72 0.85 0.00 3.14 0.00 -0.39 -4.96 105.19 103.11 1k8h n GLY 43 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1k8h n GLY 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k8h n THR 44 N -2.63 0.23 -1.67 2.61 -1.04 -1.26 -5.08 114.28 105.43 1k8h n THR 44 Ca 0.00 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.05 61.33 1k8h n THR 44 Cb 0.45 1.15 0.06 0.00 -1.82 0.00 0.00 70.33 70.17 1k8h n THR 44 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1k8h s VAL 45 N -0.23 3.48 0.00 12.58 0.11 -1.26 -4.57 120.40 130.51 1k8h s VAL 45 Ca 0.00 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.53 1k8h s VAL 45 Cb 0.00 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 1k8h s VAL 45 CO 0.00 -0.63 0.00 -1.20 -3.33 0.00 0.00 175.10 169.94 1k8h n SER 46 N -3.21 -1.40 -1.94 3.54 7.64 -1.22 -4.54 113.62 112.49 1k8h n SER 46 Ca 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.94 1k8h n SER 46 Cb 0.56 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.28 -2.96 -1.42 1.43 7.35 -1.26 -4.88 117.46 115.43 1k8h n PHE 47 Ca 0.00 1.75 0.02 0.00 -0.76 0.00 0.00 57.45 58.46 1k8h n PHE 47 Cb 0.00 -3.12 -0.01 0.00 0.35 0.00 0.00 39.48 36.70 1k8h n PHE 47 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1k8h n LYS 48 N 1.12 -3.67 -2.45 -4.13 0.00 -1.26 -4.77 118.16 103.01 1k8h n LYS 48 Ca -0.08 2.87 -0.19 0.00 0.00 0.00 0.00 58.31 60.91 1k8h n LYS 48 Cb 0.12 -3.64 -0.01 0.00 0.00 0.00 0.00 35.03 31.51 1k8h n LYS 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k8h n ASP 49 N -2.71 -5.40 -4.09 3.14 9.92 -1.26 -4.32 116.55 111.83 1k8h n ASP 49 Ca -0.01 0.02 -0.30 0.00 -0.53 0.00 0.00 54.79 53.97 1k8h n ASP 49 Cb 0.46 -4.51 -0.17 0.00 -0.64 0.00 0.00 41.12 36.27 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 -2.08 2.66 0.09 -2.24 1.04 -1.26 -1.60 113.70 110.32 1k8h s SER 50 Ca 0.02 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1k8h s SER 50 Cb -0.01 -1.21 -0.04 0.00 0.10 0.00 0.00 66.02 64.87 1k8h s SER 50 CO 0.02 0.03 -0.06 -0.36 0.98 0.00 0.00 173.24 173.85 1k8h s PHE 51 N 0.98 0.83 -0.06 5.02 0.08 -0.84 -4.53 117.98 119.45 1k8h s PHE 51 Ca -0.06 -0.93 0.03 0.00 0.12 0.00 0.00 56.93 56.10 1k8h s PHE 51 Cb -0.15 -0.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.81 1k8h s PHE 51 CO -0.03 -0.18 -0.16 0.08 -0.10 0.00 0.00 175.22 174.83 1k8h s VAL 52 N -3.62 1.42 -0.03 -0.44 1.01 -1.13 -1.14 120.40 116.48 1k8h s VAL 52 Ca 0.10 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1k8h s VAL 52 Cb 0.05 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1k8h s VAL 52 CO -0.05 0.41 -0.15 -0.60 0.00 0.00 0.00 175.10 174.71 1k8h s ARG 53 N 0.32 1.40 -0.21 2.72 3.52 -0.89 -4.21 118.95 121.61 1k8h s ARG 53 Ca -0.10 -0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 54.81 1k8h s ARG 53 Cb -0.14 -1.29 -0.04 0.00 -1.56 0.00 0.00 34.95 31.92 1k8h s ARG 53 CO 0.04 0.26 0.42 -1.50 -0.81 0.00 0.00 175.30 173.70 1k8h s ILE 54 N -0.10 5.18 -0.06 4.11 2.07 -1.26 -1.66 121.20 129.47 1k8h s ILE 54 Ca 0.01 0.74 -0.03 0.00 -1.41 0.00 0.00 60.65 59.95 1k8h s ILE 54 Cb -0.09 -3.75 -0.04 0.00 0.13 0.00 0.00 42.46 38.72 1k8h s ILE 54 CO 0.01 0.23 0.10 -0.70 -1.91 0.00 0.00 174.94 172.67 1k8h s GLU 55 N 1.42 3.23 -0.98 3.50 2.12 -1.03 -4.89 118.70 122.07 1k8h s GLU 55 Ca 0.20 -0.32 -0.15 0.00 0.36 0.00 0.00 54.97 55.06 1k8h s GLU 55 Cb -0.15 -2.99 -0.30 0.00 0.26 0.00 0.00 34.13 30.95 1k8h s GLU 55 CO 0.08 0.71 2.29 -1.71 -0.54 0.00 0.00 175.26 176.09 1k8h n ASN 56 N 1.63 -0.87 0.00 -1.70 2.85 -1.26 -1.75 115.26 114.15 1k8h n ASN 56 Ca -0.16 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 53.87 1k8h n ASN 56 Cb 0.54 -0.69 0.00 0.00 1.24 0.00 0.00 39.78 40.87 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 5.79 1.69 3.37 8.20 0.00 -1.26 -5.12 105.19 117.86 1k8h n GLY 57 Ca 0.66 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 1k8h n GLY 57 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k8h s GLU 58 N 0.00 1.63 0.07 1.61 -1.05 -0.72 -4.59 118.70 115.66 1k8h s GLU 58 Ca 0.00 -1.73 -0.30 0.00 -0.15 0.00 0.00 54.97 52.79 1k8h s GLU 58 Cb 0.00 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 34.01 1k8h s GLU 58 CO 0.00 -0.63 1.12 0.00 0.95 0.00 0.00 175.26 176.70 1k8h s ALA 59 N -3.58 3.33 0.03 -0.84 0.00 -1.06 -2.45 121.76 117.19 1k8h s ALA 59 Ca 0.35 0.76 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1k8h s ALA 59 Cb 0.02 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1k8h s ALA 59 CO 0.19 -0.34 -0.10 -1.58 0.00 0.00 0.00 175.76 173.93 1k8h s TRP 60 N 0.79 2.79 -0.15 0.00 0.52 -0.66 -2.08 118.94 120.16 1k8h s TRP 60 Ca 0.55 -0.11 -0.01 0.00 0.02 0.00 0.00 56.10 56.55 1k8h s TRP 60 Cb -0.27 -1.54 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1k8h s TRP 60 CO 0.30 0.36 -0.10 -1.17 0.02 0.00 0.00 176.95 176.35 1k8h s LEU 61 N -1.59 2.84 -0.18 2.99 0.20 -0.94 -2.08 118.68 119.93 1k8h s LEU 61 Ca 0.18 -0.30 -0.02 0.00 0.69 0.00 0.00 54.13 54.68 1k8h s LEU 61 Cb -0.11 -1.66 -0.01 0.00 -0.43 0.00 0.00 46.19 43.98 1k8h s LEU 61 CO 0.08 0.14 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.90 1k8h s TYR 62 N 0.49 2.91 -0.10 5.38 2.02 -0.29 -2.80 117.35 124.97 1k8h s TYR 62 Ca -0.07 -0.77 0.03 0.00 -0.37 0.00 0.00 57.07 55.89 1k8h s TYR 62 Cb -0.15 -1.99 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 1k8h s TYR 62 CO 0.04 -0.37 -0.21 1.21 -1.57 0.00 0.00 175.55 174.65 1k8h s ASN 63 N 0.92 2.84 -0.01 2.29 3.84 -1.26 -1.99 114.94 121.57 1k8h s ASN 63 Ca -0.01 -0.52 0.03 0.00 0.21 0.00 0.00 52.86 52.57 1k8h s ASN 63 Cb -0.15 -1.30 -0.05 0.00 -0.55 0.00 0.00 41.25 39.20 1k8h s ASN 63 CO 0.00 0.12 0.07 0.18 -2.79 0.00 0.00 177.10 174.68 1k8h n LEU 64 N 3.71 0.00 -4.39 3.21 4.32 -0.63 -4.29 117.00 118.94 1k8h n LEU 64 Ca -0.20 0.00 -0.46 0.00 -0.02 0.00 0.00 56.01 55.34 1k8h n LEU 64 Cb 0.52 0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.32 1k8h n LEU 64 CO 0.27 0.01 0.71 -0.47 -1.22 0.00 0.00 177.39 176.69 1k8h s TYR 65 N -2.22 3.51 -0.16 -1.77 5.04 -1.09 -4.78 117.35 115.89 1k8h s TYR 65 Ca -0.01 -1.78 0.01 0.00 -2.44 0.00 0.00 57.07 52.84 1k8h s TYR 65 Cb 0.02 -4.03 0.01 0.00 0.35 0.00 0.00 41.96 38.31 1k8h s TYR 65 CO 0.14 -1.21 -0.18 0.42 -1.34 0.00 0.00 175.55 173.38 1k8h s ILE 66 N 1.19 2.38 -0.21 3.14 1.09 -1.26 -3.39 121.20 124.13 1k8h s ILE 66 Ca 0.26 -0.86 -0.08 0.00 -1.10 0.00 0.00 60.65 58.86 1k8h s ILE 66 Cb -0.08 -1.99 -0.04 0.00 -1.06 0.00 0.00 42.46 39.29 1k8h s ILE 66 CO -0.09 0.53 0.10 0.00 -0.10 0.00 0.00 174.94 175.37 1k8h s ALA 67 N 0.95 3.44 0.20 9.38 0.00 -1.26 -5.08 121.76 129.38 1k8h s ALA 67 Ca -0.03 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 1k8h s ALA 67 Cb -0.15 -2.08 -0.08 0.00 0.00 0.00 0.00 23.12 20.81 1k8h s ALA 67 CO -0.03 -0.05 1.07 -1.25 0.00 0.00 0.00 175.76 175.50 1k8h s PRO 68 N 0.79 4.64 0.01 0.00 0.04 -1.26 -4.90 135.00 134.31 1k8h s PRO 68 Ca 0.05 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1k8h s PRO 68 Cb -0.13 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1k8h s PRO 68 CO 0.02 0.16 0.00 0.98 0.04 0.00 0.00 177.00 178.20 1k8h n TYR 69 N 2.11 -0.05 -1.97 0.56 4.19 -1.26 -5.08 117.16 115.66 1k8h n TYR 69 Ca 0.02 0.01 -0.37 0.00 3.31 0.00 0.00 57.90 60.87 1k8h n TYR 69 Cb 0.46 0.22 0.03 0.00 0.49 0.00 0.00 39.34 40.54 1k8h n TYR 69 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1k8h s LYS 70 N -2.00 3.05 -0.49 2.98 3.01 -1.26 -4.92 119.74 120.11 1k8h s LYS 70 Ca 0.00 1.92 0.02 0.00 -1.01 0.00 0.00 55.97 56.90 1k8h s LYS 70 Cb 0.00 -2.04 0.56 0.00 -1.01 0.00 0.00 37.83 35.34 1k8h s LYS 70 CO 0.00 -1.17 1.92 0.72 0.51 0.00 0.00 175.35 177.34 1k8h n HIS 71 N -1.39 2.95 0.01 3.18 8.25 -1.26 -4.48 115.22 122.48 1k8h n HIS 71 Ca 0.13 -2.15 -0.01 0.00 -0.26 0.00 0.00 57.72 55.42 1k8h n HIS 71 Cb 0.48 -1.07 -0.00 0.00 1.12 0.00 0.00 29.99 30.52 1k8h n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k8h n ALA 72 N -0.96 2.43 -3.17 -1.41 0.00 -1.26 -5.07 120.51 111.07 1k8h n ALA 72 Ca 0.57 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.74 1k8h n ALA 72 Cb 1.29 0.11 0.07 0.00 0.00 0.00 0.00 19.45 20.92 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 -3.16 -8.47 -2.67 0.00 -1.04 -1.26 -5.03 114.28 92.64 1k8h n THR 73 Ca -0.02 -1.21 -0.01 0.00 -2.04 0.00 0.00 64.05 60.78 1k8h n THR 73 Cb 0.06 -6.21 0.00 0.00 -1.82 0.00 0.00 70.33 62.37 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 -3.21 0.00 -3.80 12.58 -6.64 -1.26 -4.74 119.36 112.29 1k8h n ILE 74 Ca -0.09 -0.04 -0.32 0.00 -1.77 0.00 0.00 62.75 60.53 1k8h n ILE 74 Cb 0.62 -1.16 0.02 0.00 -1.44 0.00 0.00 39.64 37.68 1k8h n ILE 74 CO 0.00 0.00 0.00 -1.84 -1.77 0.00 0.00 176.55 172.94 1k8h n GLU 75 N -1.04 -0.98 -1.07 6.28 0.28 -1.26 -4.61 120.64 118.24 1k8h n GLU 75 Ca 0.00 0.50 0.15 0.00 -0.16 0.00 0.00 57.16 57.65 1k8h n GLU 75 Cb 0.01 -3.14 -0.04 0.00 1.43 0.00 0.00 31.44 29.71 1k8h n GLU 75 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1k8h n ASN 76 N -2.40 -7.94 -3.76 -1.84 2.85 -1.26 -4.80 115.26 96.11 1k8h n ASN 76 Ca -0.16 1.15 -0.29 0.00 -0.11 0.00 0.00 54.58 55.18 1k8h n ASN 76 Cb 0.61 -3.24 -0.16 0.00 1.24 0.00 0.00 39.78 38.22 1k8h n ASN 76 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1k8h s HIS 77 N -1.64 1.35 -0.31 1.20 3.76 -1.26 -5.00 115.29 113.38 1k8h s HIS 77 Ca 0.00 -1.19 -0.04 0.00 -0.15 0.00 0.00 55.06 53.68 1k8h s HIS 77 Cb 0.00 -1.26 0.04 0.00 1.11 0.00 0.00 32.58 32.47 1k8h s HIS 77 CO 0.00 -0.70 0.04 -0.51 -0.85 0.00 0.00 174.74 172.72 1k8h s ASP 78 N 1.75 5.05 0.00 1.40 1.11 -1.26 -4.96 116.67 119.75 1k8h s ASP 78 Ca 0.01 -1.17 0.19 0.00 0.18 0.00 0.00 52.55 51.77 1k8h s ASP 78 Cb -0.17 -1.78 1.15 0.00 1.07 0.00 0.00 42.92 43.18 1k8h s ASP 78 CO -0.13 -0.28 1.73 -0.81 1.18 0.00 0.00 175.17 176.87 1k8h n PRO 79 N 4.72 0.99 0.00 8.23 -0.04 -1.26 -4.16 135.00 143.48 1k8h n PRO 79 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1k8h n PRO 79 Cb 0.44 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1k8h n PRO 79 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k8h n LEU 80 N -0.81 0.01 0.00 1.53 4.32 -1.26 -4.61 117.00 116.19 1k8h n LEU 80 Ca 0.14 0.02 0.19 0.00 -0.02 0.00 0.00 56.01 56.34 1k8h n LEU 80 Cb 0.07 0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 41.83 1k8h n LEU 80 CO 0.11 -0.32 -0.25 0.54 -1.22 0.00 0.00 177.39 176.24 1k8h n ARG 81 N -2.73 -2.77 -3.56 3.23 5.12 -1.26 -4.23 116.66 110.46 1k8h n ARG 81 Ca 0.00 1.82 -0.15 0.00 -1.93 0.00 0.00 57.85 57.59 1k8h n ARG 81 Cb 0.19 -3.38 -0.06 0.00 -1.16 0.00 0.00 32.46 28.05 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 -2.14 0.91 -0.03 5.56 2.20 -1.26 -4.36 119.74 120.62 1k8h s LYS 82 Ca 0.00 0.42 0.04 0.00 -0.36 0.00 0.00 55.97 56.07 1k8h s LYS 82 Cb 0.00 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.75 1k8h s LYS 82 CO 0.00 -0.24 -0.16 1.03 -0.36 0.00 0.00 175.35 175.61 1k8h s ARG 83 N -0.76 1.56 -0.23 4.03 0.52 -1.12 -5.06 118.95 117.88 1k8h s ARG 83 Ca -0.06 -0.58 -0.10 0.00 -0.52 0.00 0.00 55.73 54.46 1k8h s ARG 83 Cb -0.01 -1.41 -0.05 0.00 0.52 0.00 0.00 34.95 33.99 1k8h s ARG 83 CO 0.06 0.28 0.15 -1.59 0.02 0.00 0.00 175.30 174.22 1k8h s LYS 84 N -0.11 4.08 -0.17 3.54 -2.85 -1.26 -2.20 119.74 120.77 1k8h s LYS 84 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 55.97 54.71 1k8h s LYS 84 Cb -0.09 -3.51 0.00 0.00 -2.06 0.00 0.00 37.83 32.17 1k8h s LYS 84 CO 0.01 0.10 -0.16 -0.51 0.10 0.00 0.00 175.35 174.89 1k8h s LEU 85 N 0.93 2.40 0.83 2.77 1.02 -0.88 -3.94 118.68 121.81 1k8h s LEU 85 Ca 0.07 -0.52 -0.11 0.00 0.02 0.00 0.00 54.13 53.59 1k8h s LEU 85 Cb -0.13 -1.55 0.10 0.00 0.02 0.00 0.00 46.19 44.62 1k8h s LEU 85 CO 0.03 0.05 1.15 -0.22 0.02 0.00 0.00 176.35 177.38 1k8h s LEU 86 N 1.03 3.01 0.00 1.79 2.96 -0.50 -2.55 118.68 124.43 1k8h s LEU 86 Ca -0.01 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1k8h s LEU 86 Cb -0.15 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 41.98 1k8h s LEU 86 CO -0.04 -2.62 0.00 0.18 -1.32 0.00 0.00 176.35 172.55 1k8h n LEU 87 N -3.68 0.00 0.00 -0.68 7.99 -1.26 -3.55 117.00 115.82 1k8h n LEU 87 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 1k8h n LEU 87 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 1k8h n LEU 87 CO 0.50 0.00 0.00 1.57 -1.51 0.00 0.00 177.39 177.95 1k8h n HIS 88 N 0.00 -0.74 -0.08 -1.77 -0.00 -1.26 -4.97 115.22 106.40 1k8h n HIS 88 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 1k8h n HIS 88 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 1k8h n HIS 88 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1k8h n LYS 89 N -0.23 0.37 -0.02 1.57 4.81 -1.26 -4.41 118.16 118.99 1k8h n LYS 89 Ca 0.00 0.16 -0.13 0.00 -0.87 0.00 0.00 58.31 57.47 1k8h n LYS 89 Cb 0.00 -1.12 -0.10 0.00 0.02 0.00 0.00 35.03 33.83 1k8h n LYS 89 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1k8h h ARG 90 N -0.63 0.01 0.09 1.64 2.43 -1.98 -3.06 114.38 112.88 1k8h h ARG 90 Ca -0.41 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.76 1k8h h ARG 90 Cb 1.34 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.84 1k8h h ARG 90 CO -0.25 0.53 -0.53 0.93 -1.51 0.00 0.00 179.97 179.14 1k8h h GLU 91 N -0.50 -0.70 -0.52 0.20 5.08 -1.99 -2.31 114.58 113.85 1k8h h GLU 91 Ca 0.00 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1k8h h GLU 91 Cb 0.52 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.84 1k8h h GLU 91 CO 0.00 -0.46 -0.10 -0.84 -1.00 0.00 0.00 179.01 176.61 1k8h h ILE 92 N -0.72 0.50 -0.41 3.13 -0.00 -1.77 -0.88 117.51 117.36 1k8h h ILE 92 Ca -0.00 -0.01 0.09 0.00 -0.00 0.00 0.00 64.86 64.94 1k8h h ILE 92 Cb 0.74 0.48 -0.09 0.00 -0.00 0.00 0.00 36.82 37.95 1k8h h ILE 92 CO -0.30 0.00 -0.20 -0.03 -0.00 0.00 0.00 178.15 177.62 1k8h h MET 93 N 0.03 -0.12 -0.15 0.16 4.05 -1.36 -0.93 114.93 116.60 1k8h h MET 93 Ca 0.25 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.70 1k8h h MET 93 Cb 0.39 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 1k8h h MET 93 CO -0.51 -0.08 0.04 -0.09 0.23 0.00 0.00 176.91 176.50 1k8h h ARG 94 N -0.12 0.11 -0.14 0.39 2.43 -0.79 -2.86 114.38 113.39 1k8h h ARG 94 Ca 0.20 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1k8h h ARG 94 Cb 0.43 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1k8h h ARG 94 CO -0.49 0.07 -0.47 1.25 -1.51 0.00 0.00 179.97 178.82 1k8h h LEU 95 N 0.11 -1.49 0.00 3.80 6.46 -0.13 -0.82 115.31 123.25 1k8h h LEU 95 Ca 0.07 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1k8h h LEU 95 Cb 0.05 0.59 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1k8h h LEU 95 CO -0.08 -0.45 -0.04 0.22 -0.62 0.00 0.00 178.44 177.47 1k8h h TYR 96 N -0.53 -0.11 0.00 1.25 5.03 -1.11 -1.61 116.97 119.88 1k8h h TYR 96 Ca 0.06 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1k8h h TYR 96 Cb 0.65 0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.98 1k8h h TYR 96 CO -0.53 -0.04 0.00 0.41 -1.32 0.00 0.00 178.16 176.68 1k8h n GLY 97 N -1.03 -2.62 0.33 1.82 0.00 -1.09 -2.33 105.19 100.27 1k8h n GLY 97 Ca -0.01 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.44 -0.00 1.61 1.57 -1.26 -0.18 116.57 117.87 1k8h h LYS 98 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1k8h h LYS 98 Cb 0.00 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1k8h h LYS 98 CO 0.00 -0.30 -0.04 0.28 -0.57 0.00 0.00 179.45 178.82 1k8h h VAL 99 N -0.46 0.00 -0.05 0.50 2.07 -1.39 -0.67 116.25 116.24 1k8h h VAL 99 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1k8h h VAL 99 Cb 0.49 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1k8h h VAL 99 CO -0.25 0.00 -0.06 1.56 0.02 0.00 0.00 177.57 178.84 1k8h h GLN 100 N -0.05 -0.08 0.65 1.57 7.50 -1.52 1.23 115.11 124.41 1k8h h GLN 100 Ca 0.00 0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1k8h h GLN 100 Cb 0.05 0.02 0.01 0.00 0.05 0.00 0.00 27.48 27.61 1k8h h GLN 100 CO -0.03 -0.06 -0.31 1.49 -1.50 0.00 0.00 178.83 178.42 1k8h h GLU 101 N -0.09 -0.84 -0.60 1.46 4.57 -1.03 -3.27 114.58 114.78 1k8h h GLU 101 Ca 0.04 0.06 0.12 0.00 -1.18 0.00 0.00 59.36 58.40 1k8h h GLU 101 Cb 0.15 0.19 -0.11 0.00 -0.16 0.00 0.00 28.75 28.82 1k8h h GLU 101 CO -0.10 -0.56 -0.09 0.87 -1.18 0.00 0.00 179.01 177.94 1k8h h LYS 102 N -1.07 0.04 0.00 1.92 1.57 -1.22 -3.45 116.57 114.36 1k8h h LYS 102 Ca -0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1k8h h LYS 102 Cb 0.67 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1k8h h LYS 102 CO 0.15 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 1k8h n GLY 103 N -1.39 -0.05 3.41 3.86 0.00 -0.98 -5.10 105.19 104.93 1k8h n GLY 103 Ca 0.07 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 1.97 0.05 1.61 1.51 0.42 -4.42 117.35 118.49 1k8h s TYR 104 Ca 0.00 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 1k8h s TYR 104 Cb 0.00 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1k8h s TYR 104 CO 0.00 0.46 -0.12 -0.08 -1.11 0.00 0.00 175.55 174.69 1k8h s THR 105 N -2.83 0.95 -0.12 -0.71 -1.32 -1.09 -4.13 115.64 106.39 1k8h s THR 105 Ca 0.27 -1.14 -0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1k8h s THR 105 Cb -0.01 -0.92 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 1k8h s THR 105 CO 0.11 -0.20 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.58 1k8h s ILE 106 N -1.15 3.23 0.08 5.08 1.09 -1.26 -2.32 121.20 125.95 1k8h s ILE 106 Ca -0.03 -0.61 0.03 0.00 -1.10 0.00 0.00 60.65 58.94 1k8h s ILE 106 Cb -0.09 -2.35 -0.03 0.00 -1.06 0.00 0.00 42.46 38.92 1k8h s ILE 106 CO 0.01 0.53 -0.10 0.27 -0.10 0.00 0.00 174.94 175.56 1k8h s ILE 107 N 0.10 0.83 0.30 2.92 -5.25 -1.09 -2.86 121.20 116.16 1k8h s ILE 107 Ca -0.05 -1.48 -0.26 0.00 -0.99 0.00 0.00 60.65 57.88 1k8h s ILE 107 Cb -0.14 -1.16 -0.10 0.00 2.95 0.00 0.00 42.46 44.01 1k8h s ILE 107 CO 0.04 -0.50 0.92 -2.16 -1.79 0.00 0.00 174.94 171.45 1k8h s PRO 108 N -2.44 4.57 0.00 0.37 0.04 -1.26 -2.19 135.00 134.10 1k8h s PRO 108 Ca 0.01 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1k8h s PRO 108 Cb -0.05 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1k8h s PRO 108 CO -0.00 0.32 0.00 -0.11 0.04 0.00 0.00 177.00 177.25 1k8h n LEU 109 N 0.67 0.00 -4.06 -3.56 0.00 0.61 -4.73 117.00 105.93 1k8h n LEU 109 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.73 1k8h n LEU 109 Cb 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.75 1k8h n LEU 109 CO 0.45 0.00 -0.50 -0.75 0.00 0.00 0.00 177.39 176.59 1k8h s LYS 110 N 0.91 2.30 -0.12 1.96 2.20 -1.25 -1.09 119.74 124.65 1k8h s LYS 110 Ca 0.00 -0.59 0.01 0.00 -0.36 0.00 0.00 55.97 55.03 1k8h s LYS 110 Cb 0.00 -1.97 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 1k8h s LYS 110 CO 0.00 -0.08 -0.15 -0.48 -0.36 0.00 0.00 175.35 174.28 1k8h s LEU 111 N 1.05 1.69 0.07 5.43 2.34 -1.01 -2.61 118.68 125.63 1k8h s LEU 111 Ca -0.05 -0.44 0.02 0.00 0.06 0.00 0.00 54.13 53.72 1k8h s LEU 111 Cb -0.15 -1.11 -0.03 0.00 -0.56 0.00 0.00 46.19 44.35 1k8h s LEU 111 CO -0.03 -0.01 -0.08 -0.72 -1.06 0.00 0.00 176.35 174.45 1k8h s TYR 112 N 1.17 0.81 -0.19 3.48 -0.85 -1.08 -1.83 117.35 118.85 1k8h s TYR 112 Ca -0.03 -0.63 -0.02 0.00 -0.52 0.00 0.00 57.07 55.87 1k8h s TYR 112 Cb -0.14 -0.47 -0.01 0.00 0.38 0.00 0.00 41.96 41.72 1k8h s TYR 112 CO -0.05 -0.08 -0.08 1.67 -1.52 0.00 0.00 175.55 175.49 1k8h s TRP 113 N -2.14 2.90 -0.02 -3.49 -2.14 -0.99 -1.40 118.94 111.67 1k8h s TRP 113 Ca -0.02 -0.88 0.01 0.00 2.66 0.00 0.00 56.10 57.88 1k8h s TRP 113 Cb -0.05 -2.00 -0.03 0.00 -3.10 0.00 0.00 33.47 28.28 1k8h s TRP 113 CO -0.01 -0.44 -0.01 0.21 -2.66 0.00 0.00 176.95 174.04 1k8h s LYS 114 N 1.07 2.80 0.00 3.25 2.20 -0.59 -3.36 119.74 125.11 1k8h s LYS 114 Ca 0.00 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1k8h s LYS 114 Cb -0.15 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1k8h s LYS 114 CO -0.01 0.64 0.00 -1.71 -0.36 0.00 0.00 175.35 173.91 1k8h n ASN 115 N 1.59 0.00 0.00 1.43 5.15 -1.26 -2.72 115.26 119.44 1k8h n ASN 115 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1k8h n ASN 115 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 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 -4.12 1.20 2.85 -1.26 -5.00 115.26 111.26 1k8h n ASN 116 Ca 0.00 -0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.36 1k8h n ASN 116 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 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 0.69 0.22 1.20 1.02 -1.10 -5.01 119.74 116.76 1k8h s LYS 117 Ca 0.00 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 54.79 1k8h s LYS 117 Cb 0.00 -0.18 -0.07 0.00 -0.52 0.00 0.00 37.83 37.06 1k8h s LYS 117 CO 0.00 -0.01 0.55 0.08 -0.92 0.00 0.00 175.35 175.05 1k8h s VAL 118 N -2.82 4.93 -0.12 3.17 1.01 -1.26 -1.54 120.40 123.77 1k8h s VAL 118 Ca 0.03 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.51 1k8h s VAL 118 Cb -0.00 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1k8h s VAL 118 CO -0.03 -0.05 -0.15 -0.54 0.00 0.00 0.00 175.10 174.33 1k8h s LYS 119 N -2.76 2.19 -0.10 2.72 3.01 -0.49 -2.39 119.74 121.92 1k8h s LYS 119 Ca 0.47 -0.54 -0.01 0.00 -1.01 0.00 0.00 55.97 54.88 1k8h s LYS 119 Cb -0.11 -1.91 -0.03 0.00 -1.01 0.00 0.00 37.83 34.77 1k8h s LYS 119 CO 0.21 -0.11 -0.06 0.08 0.51 0.00 0.00 175.35 175.98 1k8h s VAL 120 N 1.12 3.72 -0.23 3.17 1.01 -0.11 -2.65 120.40 126.42 1k8h s VAL 120 Ca -0.04 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1k8h s VAL 120 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1k8h s VAL 120 CO -0.04 0.56 0.11 -0.22 0.00 0.00 0.00 175.10 175.52 1k8h s LEU 121 N -0.34 3.86 -0.05 3.92 2.96 -1.07 -2.01 118.68 125.95 1k8h s LEU 121 Ca 0.05 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1k8h s LEU 121 Cb -0.12 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1k8h s LEU 121 CO 0.02 0.06 -0.10 0.27 -1.32 0.00 0.00 176.35 175.28 1k8h s ILE 122 N 1.07 3.42 -0.06 6.68 -4.36 -1.10 -0.28 121.20 126.58 1k8h s ILE 122 Ca 0.06 -0.63 0.05 0.00 -0.26 0.00 0.00 60.65 59.86 1k8h s ILE 122 Cb -0.14 -2.39 -0.00 0.00 1.25 0.00 0.00 42.46 41.17 1k8h s ILE 122 CO 0.04 0.56 -0.21 0.00 0.24 0.00 0.00 174.94 175.57 1k8h s ALA 123 N -0.81 1.83 -0.24 2.27 0.00 -0.93 -1.44 121.76 122.45 1k8h s ALA 123 Ca 0.13 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1k8h s ALA 123 Cb -0.11 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1k8h s ALA 123 CO 0.02 0.32 0.20 -0.51 0.00 0.00 0.00 175.76 175.79 1k8h s LEU 124 N 0.03 4.12 0.14 0.00 1.02 -0.09 -2.68 118.68 121.22 1k8h s LEU 124 Ca -0.06 0.17 0.08 0.00 0.02 0.00 0.00 54.13 54.34 1k8h s LEU 124 Cb -0.13 -2.18 -0.04 0.00 0.02 0.00 0.00 46.19 43.86 1k8h s LEU 124 CO 0.04 0.03 -0.09 0.00 0.02 0.00 0.00 176.35 176.35 1k8h s ALA 125 N 1.14 2.96 -0.10 4.21 0.00 -0.98 -1.87 121.76 127.12 1k8h s ALA 125 Ca 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1k8h s ALA 125 Cb -0.14 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1k8h s ALA 125 CO 0.05 0.55 -0.11 0.21 0.00 0.00 0.00 175.76 176.46 1k8h s LYS 126 N -2.54 3.11 0.00 0.00 2.20 -0.98 -2.68 119.74 118.85 1k8h s LYS 126 Ca 0.23 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1k8h s LYS 126 Cb -0.10 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1k8h s LYS 126 CO 0.15 0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.94 1k8h n GLY 127 N 3.02 2.92 1.45 5.54 0.00 -1.26 -4.10 105.19 112.77 1k8h n GLY 127 Ca -0.18 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.71 0.00 1.61 5.02 -1.26 -4.92 118.16 114.90 1k8h n LYS 128 Ca 0.00 2.92 0.00 0.00 -2.02 0.00 0.00 58.31 59.21 1k8h n LYS 128 Cb 0.00 -3.76 0.00 0.00 -0.02 0.00 0.00 35.03 31.25 1k8h n LYS 128 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1k8h n LYS 129 N -2.98 0.00 -2.29 1.97 2.85 -1.26 -4.53 118.16 111.91 1k8h n LYS 129 Ca -0.02 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.83 1k8h n LYS 129 Cb 0.51 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.86 1k8h n LYS 129 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1k8h s LEU 130 N 0.00 4.45 0.00 -5.58 2.96 -1.26 -4.82 118.68 114.43 1k8h s LEU 130 Ca 0.00 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 56.27 1k8h s LEU 130 Cb 0.00 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1k8h s LEU 130 CO 0.00 -0.42 0.00 0.00 -1.32 0.00 0.00 176.35 174.61 1k8h n TYR 131 N 2.17 -1.17 -3.94 5.38 9.36 -1.26 -5.14 117.16 122.55 1k8h n TYR 131 Ca 0.04 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.05 1k8h n TYR 131 Cb 0.44 0.32 -0.03 0.00 -0.63 0.00 0.00 39.34 39.44 1k8h n TYR 131 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1k8h s ASP 132 N -2.36 5.70 0.00 2.98 2.15 -1.26 -5.22 116.67 118.66 1k8h s ASP 132 Ca 0.00 -0.23 0.28 0.00 0.43 0.00 0.00 52.55 53.03 1k8h s ASP 132 Cb 0.00 -1.39 0.95 0.00 -0.30 0.00 0.00 42.92 42.17 1k8h s ASP 132 CO 0.00 -0.16 1.69 -1.14 -0.17 0.00 0.00 175.17 175.39