#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk8 h LEU 4 N 0.00 0.00 -1.08 0.99 3.38 -1.84 -3.34 115.31 113.42 1qk8 h LEU 4 Ca 0.00 -0.09 0.26 0.00 0.09 0.00 0.00 57.88 58.14 1qk8 h LEU 4 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1qk8 h LEU 4 CO 0.00 0.04 0.61 0.44 0.09 0.00 0.00 178.44 179.63 1qk8 h ASP 5 N 0.00 0.61 0.70 -0.43 5.19 -1.90 0.22 116.42 120.81 1qk8 h ASP 5 Ca 0.00 0.13 -0.09 0.00 -0.62 0.00 0.00 57.03 56.45 1qk8 h ASP 5 Cb 0.87 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 1qk8 h ASP 5 CO 0.00 0.08 -0.44 0.50 -3.12 0.00 0.00 179.24 176.26 1qk8 h LYS 6 N 0.52 0.00 0.00 3.56 3.64 -2.00 -2.30 116.57 119.99 1qk8 h LYS 6 Ca 0.65 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.75 1qk8 h LYS 6 Cb 1.34 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 1qk8 h LYS 6 CO -0.45 0.44 -2.09 0.66 -2.27 0.00 0.00 179.45 175.74 1qk8 n TYR 7 N -3.69 0.30 -3.15 1.91 4.01 0.55 -4.66 117.16 112.43 1qk8 n TYR 7 Ca -0.01 0.10 -0.22 0.00 -0.16 0.00 0.00 57.90 57.61 1qk8 n TYR 7 Cb 0.52 -0.97 -0.04 0.00 -0.31 0.00 0.00 39.34 38.53 1qk8 n TYR 7 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1qk8 n LEU 8 N -2.74 1.81 -4.67 7.72 4.77 0.14 -4.82 117.00 119.21 1qk8 n LEU 8 Ca -0.23 -5.14 -0.42 0.00 -0.03 0.00 0.00 56.01 50.19 1qk8 n LEU 8 Cb 1.01 0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 42.35 1qk8 n LEU 8 CO 0.44 2.24 1.46 -2.16 -1.33 0.00 0.00 177.39 178.04 1qk8 s PRO 9 N -2.43 4.16 -0.15 3.23 0.04 -0.87 -2.70 135.00 136.29 1qk8 s PRO 9 Ca 0.41 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1qk8 s PRO 9 Cb 0.28 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1qk8 s PRO 9 CO -0.09 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1qk8 n GLY 10 N 4.27 0.51 3.25 0.56 0.00 -1.26 -5.01 105.19 107.52 1qk8 n GLY 10 Ca 0.18 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1qk8 n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qk8 s ILE 11 N -2.01 3.93 -0.40 -0.61 1.01 -1.10 -4.94 121.20 117.09 1qk8 s ILE 11 Ca 0.00 -1.39 0.23 0.00 0.00 0.00 0.00 60.65 59.49 1qk8 s ILE 11 Cb 0.00 -3.38 0.08 0.00 0.01 0.00 0.00 42.46 39.17 1qk8 s ILE 11 CO 0.00 -0.41 1.24 -0.33 0.00 0.00 0.00 174.94 175.44 1qk8 h GLU 12 N 8.29 0.00 -5.60 2.79 5.08 -1.95 -3.43 114.58 119.75 1qk8 h GLU 12 Ca -0.22 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.66 1qk8 h GLU 12 Cb 1.08 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.09 1qk8 h GLU 12 CO 0.69 0.00 -0.81 0.15 -1.00 0.00 0.00 179.01 178.05 1qk8 s LYS 13 N -3.28 1.04 0.13 2.33 -0.14 -1.26 0.26 119.74 118.83 1qk8 s LYS 13 Ca 0.03 -0.88 0.07 0.00 -1.36 0.00 0.00 55.97 53.83 1qk8 s LYS 13 Cb 0.10 -1.11 -0.04 0.00 -1.68 0.00 0.00 37.83 35.10 1qk8 s LYS 13 CO 0.74 0.27 -0.16 -0.51 -0.76 0.00 0.00 175.35 174.94 1qk8 s LEU 14 N -1.34 2.40 0.45 3.17 1.43 0.26 -4.85 118.68 120.19 1qk8 s LEU 14 Ca 0.03 -0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 1qk8 s LEU 14 Cb -0.09 -0.67 -0.08 0.00 0.03 0.00 0.00 46.19 45.39 1qk8 s LEU 14 CO 0.02 -0.09 1.08 -0.13 0.23 0.00 0.00 176.35 177.46 1qk8 s ARG 15 N -2.59 3.90 -0.17 1.70 1.81 0.03 -0.15 118.95 123.48 1qk8 s ARG 15 Ca 0.10 1.53 -0.05 0.00 -1.72 0.00 0.00 55.73 55.59 1qk8 s ARG 15 Cb -0.06 -2.34 0.08 0.00 -0.45 0.00 0.00 34.95 32.19 1qk8 s ARG 15 CO 0.04 -0.37 0.33 0.50 -0.68 0.00 0.00 175.30 175.12 1qk8 s ARG 16 N -2.82 0.24 5.85 3.54 3.52 -0.74 -1.34 118.95 127.20 1qk8 s ARG 16 Ca 0.63 0.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.03 1qk8 s ARG 16 Cb -0.22 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.16 1qk8 s ARG 16 CO 0.27 -0.34 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 1qk8 n GLY 17 N 5.37 3.47 0.68 8.12 0.00 -1.26 -1.21 105.19 120.35 1qk8 n GLY 17 Ca -0.07 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1qk8 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qk8 n ASP 18 N 4.86 2.07 0.00 1.61 8.00 -1.26 -4.94 116.55 126.89 1qk8 n ASP 18 Ca 0.00 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.77 1qk8 n ASP 18 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1qk8 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qk8 n GLY 19 N 1.23 5.29 3.19 0.44 0.00 -0.35 -5.17 105.19 109.82 1qk8 n GLY 19 Ca 0.17 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 1qk8 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qk8 s GLU 20 N 3.26 0.89 0.14 1.61 2.02 -1.26 -1.78 118.70 123.58 1qk8 s GLU 20 Ca 0.00 -1.12 0.06 0.00 0.02 0.00 0.00 54.97 53.93 1qk8 s GLU 20 Cb 0.00 -0.72 -0.04 0.00 0.10 0.00 0.00 34.13 33.47 1qk8 s GLU 20 CO 0.00 0.14 -0.14 0.14 0.02 0.00 0.00 175.26 175.41 1qk8 s VAL 21 N -2.01 1.44 0.23 2.63 -7.23 0.78 -4.84 120.40 111.40 1qk8 s VAL 21 Ca 0.04 -1.86 -0.25 0.00 -1.81 0.00 0.00 61.98 58.10 1qk8 s VAL 21 Cb -0.06 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 35.11 1qk8 s VAL 21 CO 0.02 -0.47 0.84 -1.61 -0.31 0.00 0.00 175.10 173.56 1qk8 s GLU 22 N -2.96 4.54 0.40 4.82 2.02 -1.26 -0.58 118.70 125.69 1qk8 s GLU 22 Ca 0.13 1.19 0.07 0.00 0.02 0.00 0.00 54.97 56.38 1qk8 s GLU 22 Cb -0.03 -3.05 0.84 0.00 0.10 0.00 0.00 34.13 31.99 1qk8 s GLU 22 CO 0.04 0.44 2.03 0.28 0.02 0.00 0.00 175.26 178.07 1qk8 h VAL 23 N 2.96 1.07 -0.01 2.63 2.07 -0.47 -1.27 116.25 123.22 1qk8 h VAL 23 Ca -0.47 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1qk8 h VAL 23 Cb 1.20 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1qk8 h VAL 23 CO 0.66 0.11 0.07 0.11 0.02 0.00 0.00 177.57 178.54 1qk8 h LYS 24 N 0.60 0.00 0.00 1.57 1.79 -1.92 -1.18 116.57 117.43 1qk8 h LYS 24 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1qk8 h LYS 24 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1qk8 h LYS 24 CO -0.05 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.19 1qk8 n SER 25 N -3.17 0.00 -0.80 0.86 3.41 -0.48 -2.38 113.62 111.05 1qk8 n SER 25 Ca -0.03 0.18 0.10 0.00 -0.26 0.00 0.00 58.87 58.86 1qk8 n SER 25 Cb 0.14 -0.34 0.28 0.00 -0.26 0.00 0.00 64.21 64.03 1qk8 n SER 25 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qk8 n LEU 26 N -1.34 2.38 -4.61 1.04 4.77 -0.45 -4.96 117.00 113.83 1qk8 n LEU 26 Ca 0.07 -1.06 -0.48 0.00 -0.03 0.00 0.00 56.01 54.50 1qk8 n LEU 26 Cb 0.14 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1qk8 n LEU 26 CO 0.13 0.53 0.84 0.00 -1.33 0.00 0.00 177.39 177.56 1qk8 n ALA 27 N 0.79 -0.23 -0.12 -1.18 0.00 -1.00 -1.19 120.51 117.58 1qk8 n ALA 27 Ca 0.17 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1qk8 n ALA 27 Cb 0.42 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1qk8 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qk8 n GLY 28 N 2.20 2.77 3.95 0.00 0.00 -1.26 -5.01 105.19 107.84 1qk8 n GLY 28 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1qk8 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qk8 s LYS 29 N -0.00 3.22 -0.03 1.61 1.02 -0.34 -4.90 119.74 120.32 1qk8 s LYS 29 Ca 0.00 -0.51 -0.27 0.00 0.02 0.00 0.00 55.97 55.22 1qk8 s LYS 29 Cb 0.00 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1qk8 s LYS 29 CO 0.00 -0.08 0.84 -1.17 -0.92 0.00 0.00 175.35 174.02 1qk8 s LEU 30 N -4.42 4.35 -0.21 3.17 2.96 -0.78 -1.44 118.68 122.31 1qk8 s LEU 30 Ca 0.45 1.42 -0.03 0.00 -0.22 0.00 0.00 54.13 55.76 1qk8 s LEU 30 Cb -0.10 -3.32 -0.00 0.00 0.50 0.00 0.00 46.19 43.27 1qk8 s LEU 30 CO 0.36 -0.18 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.44 1qk8 s VAL 31 N 0.87 3.10 -0.21 1.68 1.01 0.39 -0.92 120.40 126.32 1qk8 s VAL 31 Ca 0.44 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 1qk8 s VAL 31 Cb -0.19 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1qk8 s VAL 31 CO 0.23 0.45 0.15 -0.36 0.00 0.00 0.00 175.10 175.57 1qk8 s PHE 32 N 1.39 3.38 -0.28 5.22 0.08 0.31 -0.32 117.98 127.75 1qk8 s PHE 32 Ca 0.05 0.31 -0.21 0.00 0.12 0.00 0.00 56.93 57.20 1qk8 s PHE 32 Cb -0.14 -2.21 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1qk8 s PHE 32 CO -0.05 0.21 0.65 -0.06 -0.10 0.00 0.00 175.22 175.87 1qk8 s PHE 33 N 0.62 3.25 -0.42 0.36 0.08 0.78 -0.20 117.98 122.45 1qk8 s PHE 33 Ca 0.08 0.73 -0.13 0.00 0.12 0.00 0.00 56.93 57.73 1qk8 s PHE 33 Cb -0.12 -2.94 0.05 0.00 -0.57 0.00 0.00 43.02 39.44 1qk8 s PHE 33 CO 0.01 -0.41 0.29 -0.47 -0.10 0.00 0.00 175.22 174.54 1qk8 s TYR 34 N 2.60 3.26 -0.29 0.36 5.04 -0.18 -1.59 117.35 126.55 1qk8 s TYR 34 Ca 0.27 -0.98 -0.20 0.00 -2.44 0.00 0.00 57.07 53.72 1qk8 s TYR 34 Cb -0.15 -2.79 -0.01 0.00 0.35 0.00 0.00 41.96 39.36 1qk8 s TYR 34 CO 0.10 -0.72 0.63 -0.06 -1.34 0.00 0.00 175.55 174.16 1qk8 s PHE 35 N 1.58 3.23 0.32 4.97 0.40 -0.09 -0.56 117.98 127.83 1qk8 s PHE 35 Ca 0.03 0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 56.85 1qk8 s PHE 35 Cb -0.21 -2.96 0.02 0.00 0.51 0.00 0.00 43.02 40.38 1qk8 s PHE 35 CO 0.07 -0.44 0.65 0.45 0.70 0.00 0.00 175.22 176.65 1qk8 s SER 36 N 1.61 0.03 0.01 1.36 0.15 -1.17 -2.13 113.70 113.56 1qk8 s SER 36 Ca 0.25 -0.98 -0.28 0.00 0.70 0.00 0.00 55.95 55.64 1qk8 s SER 36 Cb -0.15 0.73 0.08 0.00 -1.71 0.00 0.00 66.02 64.97 1qk8 s SER 36 CO 0.11 -1.40 0.70 0.00 1.20 0.00 0.00 173.24 173.85 1qk8 s ALA 37 N -3.31 -1.74 0.50 5.45 0.00 -1.26 -1.28 121.76 120.13 1qk8 s ALA 37 Ca 0.18 1.06 0.21 0.00 0.00 0.00 0.00 51.96 53.41 1qk8 s ALA 37 Cb -0.04 0.24 1.39 0.00 0.00 0.00 0.00 23.12 24.71 1qk8 s ALA 37 CO 0.11 -0.52 2.12 0.66 0.00 0.00 0.00 175.76 178.14 1qk8 h SER 38 N 2.56 0.00 0.60 0.00 4.64 -1.97 -2.10 113.55 117.28 1qk8 h SER 38 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1qk8 h SER 38 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1qk8 h SER 38 CO 0.37 0.07 -0.12 -2.67 -0.87 0.00 0.00 176.83 173.62 1qk8 n TRP 39 N -4.14 0.00 -2.74 4.77 4.27 -1.26 -4.84 117.44 113.51 1qk8 n TRP 39 Ca -0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.16 1qk8 n TRP 39 Cb 0.15 -0.30 -0.03 0.00 -1.36 0.00 0.00 31.31 29.77 1qk8 n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1qk8 h PRO 41 N 8.47 -0.06 0.00 0.00 0.11 -1.88 -2.70 132.00 135.94 1qk8 h PRO 41 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1qk8 h PRO 41 Cb 1.07 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1qk8 h PRO 41 CO 1.01 -0.02 0.00 -1.00 -0.21 0.00 0.00 178.00 177.79 1qk8 h PRO 42 N -0.09 0.00 0.00 1.05 0.13 -1.93 -2.06 132.00 129.10 1qk8 h PRO 42 Ca -0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1qk8 h PRO 42 Cb 0.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 1qk8 h PRO 42 CO 0.01 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 177.52 1qk8 h ARG 44 N 0.00 0.41 0.00 0.00 3.08 -1.43 -0.65 114.38 115.79 1qk8 h ARG 44 Ca -0.00 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1qk8 h ARG 44 Cb 0.49 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1qk8 h ARG 44 CO 0.03 0.29 -0.65 0.78 -1.07 0.00 0.00 179.97 179.36 1qk8 h GLY 45 N 0.41 0.00 1.04 0.04 0.00 -1.70 -3.34 103.07 99.52 1qk8 h GLY 45 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.16 1qk8 h GLY 45 CO -0.02 0.00 -1.22 -2.75 0.00 0.00 0.00 176.54 172.55 1qk8 h PHE 46 N 0.00 0.83 -0.82 5.60 3.57 -1.34 -3.36 116.94 121.42 1qk8 h PHE 46 Ca -0.03 -0.60 0.16 0.00 3.53 0.00 0.00 57.97 61.03 1qk8 h PHE 46 Cb 1.40 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 40.00 1qk8 h PHE 46 CO 0.00 1.46 0.38 1.15 -2.23 0.00 0.00 178.31 179.07 1qk8 h THR 47 N -0.04 0.66 -0.03 4.41 2.02 -1.24 -0.73 112.91 117.96 1qk8 h THR 47 Ca -0.21 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1qk8 h THR 47 Cb 1.96 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1qk8 h THR 47 CO 0.23 0.09 -0.32 -0.65 0.37 0.00 0.00 175.52 175.24 1qk8 h PRO 48 N 0.52 0.05 -0.55 6.66 0.11 -1.74 0.33 132.00 137.39 1qk8 h PRO 48 Ca 0.46 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.44 1qk8 h PRO 48 Cb 0.72 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1qk8 h PRO 48 CO -0.41 0.37 -0.12 1.96 -0.21 0.00 0.00 178.00 179.59 1qk8 h GLN 49 N 0.05 1.04 -0.21 1.05 4.20 -1.31 -1.07 115.11 118.86 1qk8 h GLN 49 Ca 0.00 -0.39 -0.13 0.00 0.06 0.00 0.00 58.65 58.19 1qk8 h GLN 49 Cb 0.59 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1qk8 h GLN 49 CO 0.04 1.09 -0.43 1.25 -0.67 0.00 0.00 178.83 180.11 1qk8 h LEU 50 N 0.92 0.54 -0.36 1.46 5.85 -0.60 -2.07 115.31 121.05 1qk8 h LEU 50 Ca 0.14 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1qk8 h LEU 50 Cb 0.70 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1qk8 h LEU 50 CO 0.05 0.90 0.12 0.40 -0.34 0.00 0.00 178.44 179.58 1qk8 h ILE 51 N 0.41 1.20 -0.70 4.05 2.04 -0.76 0.13 117.51 123.89 1qk8 h ILE 51 Ca 0.03 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1qk8 h ILE 51 Cb 0.93 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1qk8 h ILE 51 CO 0.08 0.23 0.43 -0.08 0.00 0.00 0.00 178.15 178.81 1qk8 h GLU 52 N 0.44 0.95 -0.41 2.37 4.81 -1.08 0.04 114.58 121.70 1qk8 h GLU 52 Ca 0.12 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1qk8 h GLU 52 Cb 0.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1qk8 h GLU 52 CO -0.01 0.66 0.10 0.35 -0.73 0.00 0.00 179.01 179.38 1qk8 h PHE 53 N 0.95 0.69 -0.52 0.92 3.57 -1.11 -1.60 116.94 119.84 1qk8 h PHE 53 Ca 0.25 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1qk8 h PHE 53 Cb -0.05 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 1qk8 h PHE 53 CO -0.02 0.66 0.31 -0.92 -2.23 0.00 0.00 178.31 176.12 1qk8 h TYR 54 N 0.52 0.68 -0.42 0.41 3.20 -0.42 -0.41 116.97 120.53 1qk8 h TYR 54 Ca 0.13 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 1qk8 h TYR 54 Cb 0.32 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1qk8 h TYR 54 CO 0.02 0.48 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.47 1qk8 h ASP 55 N 0.69 0.74 -0.35 -2.11 3.32 -0.77 0.31 116.42 118.26 1qk8 h ASP 55 Ca 0.19 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1qk8 h ASP 55 Cb -0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1qk8 h ASP 55 CO -0.03 0.87 -0.24 0.11 -1.72 0.00 0.00 179.24 178.23 1qk8 h LYS 56 N 0.68 0.78 0.00 3.56 1.57 -1.02 -3.41 116.57 118.73 1qk8 h LYS 56 Ca 0.12 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1qk8 h LYS 56 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1qk8 h LYS 56 CO 0.04 0.99 0.00 1.19 -0.57 0.00 0.00 179.45 181.10 1qk8 n PHE 57 N -4.25 0.00 -0.12 -1.35 3.72 -0.19 -4.69 117.46 110.59 1qk8 n PHE 57 Ca -0.03 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.42 1qk8 n PHE 57 Cb 0.45 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.36 1qk8 n PHE 57 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 1qk8 h HIS 58 N 0.00 0.69 0.00 1.38 2.07 -1.09 0.15 115.15 118.35 1qk8 h HIS 58 Ca 0.00 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.53 1qk8 h HIS 58 Cb 0.07 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 29.82 1qk8 h HIS 58 CO 0.00 0.40 -0.03 0.93 -3.07 0.00 0.00 177.93 176.16 1qk8 h GLU 59 N 0.71 0.00 -0.07 5.12 5.08 -1.82 -1.34 114.58 122.26 1qk8 h GLU 59 Ca 0.24 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1qk8 h GLU 59 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1qk8 h GLU 59 CO -0.07 0.99 -0.33 0.66 -1.00 0.00 0.00 179.01 179.27 1qk8 h SER 60 N -1.00 0.13 -0.63 1.42 4.64 -1.78 -2.28 113.55 114.05 1qk8 h SER 60 Ca -0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1qk8 h SER 60 Cb 1.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1qk8 h SER 60 CO -0.00 0.46 0.00 0.29 -0.87 0.00 0.00 176.83 176.70 1qk8 n LYS 61 N -4.12 2.80 -3.82 4.77 5.02 0.51 -5.01 118.16 118.31 1qk8 n LYS 61 Ca -0.01 -2.51 -0.35 0.00 -2.02 0.00 0.00 58.31 53.41 1qk8 n LYS 61 Cb 0.40 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1qk8 n LYS 61 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1qk8 n ASN 62 N 1.33 -4.93 -4.29 4.39 4.05 -0.86 -4.85 115.26 110.10 1qk8 n ASN 62 Ca 0.21 -1.07 -0.16 0.00 0.45 0.00 0.00 54.58 54.01 1qk8 n ASN 62 Cb 0.58 -2.53 -0.10 0.00 1.23 0.00 0.00 39.78 38.96 1qk8 n ASN 62 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1qk8 s PHE 63 N -3.38 1.45 0.06 1.20 -0.12 -0.54 -1.87 117.98 114.77 1qk8 s PHE 63 Ca 0.38 -1.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.10 1qk8 s PHE 63 Cb -0.17 -0.84 -0.03 0.00 -0.63 0.00 0.00 43.02 41.35 1qk8 s PHE 63 CO 0.91 -0.34 -0.05 -2.00 -0.05 0.00 0.00 175.22 173.69 1qk8 s GLU 64 N -4.02 0.60 -0.06 1.99 2.56 -0.10 -4.65 118.70 115.02 1qk8 s GLU 64 Ca 0.36 -1.04 0.05 0.00 0.00 0.00 0.00 54.97 54.34 1qk8 s GLU 64 Cb 0.07 -0.04 -0.01 0.00 2.00 0.00 0.00 34.13 36.15 1qk8 s GLU 64 CO 0.12 -0.04 -0.22 0.08 -0.56 0.00 0.00 175.26 174.64 1qk8 s VAL 65 N -2.81 2.34 -0.25 3.70 1.01 -1.26 -0.53 120.40 122.60 1qk8 s VAL 65 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1qk8 s VAL 65 Cb -0.00 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.56 1qk8 s VAL 65 CO -0.04 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 174.82 1qk8 s VAL 66 N -0.26 2.08 0.05 2.92 1.01 0.72 -1.41 120.40 125.52 1qk8 s VAL 66 Ca -0.00 -1.51 -0.31 0.00 0.00 0.00 0.00 61.98 60.17 1qk8 s VAL 66 Cb -0.13 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 1qk8 s VAL 66 CO 0.03 0.03 1.31 0.12 0.00 0.00 0.00 175.10 176.59 1qk8 s PHE 67 N 1.16 3.20 -0.38 5.22 5.36 0.96 -1.01 117.98 132.49 1qk8 s PHE 67 Ca -0.07 1.06 0.03 0.00 -0.96 0.00 0.00 56.93 56.99 1qk8 s PHE 67 Cb -0.19 -3.56 0.11 0.00 -0.34 0.00 0.00 43.02 39.04 1qk8 s PHE 67 CO -0.06 -1.92 0.11 0.00 -1.46 0.00 0.00 175.22 171.89 1qk8 s THR 69 N 0.71 3.31 -1.66 0.00 -1.32 -1.26 -3.05 115.64 112.37 1qk8 s THR 69 Ca 0.12 1.12 0.16 0.00 -1.21 0.00 0.00 61.69 61.88 1qk8 s THR 69 Cb -0.21 -3.64 0.29 0.00 -1.51 0.00 0.00 72.50 67.44 1qk8 s THR 69 CO -0.06 0.12 1.20 0.79 -2.21 0.00 0.00 174.62 174.46 1qk8 n TRP 70 N 0.27 0.35 -2.40 9.09 7.02 -0.40 -4.89 117.44 126.47 1qk8 n TRP 70 Ca 0.03 -0.26 -0.35 0.00 -1.02 0.00 0.00 57.50 55.91 1qk8 n TRP 70 Cb 0.47 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.33 1qk8 n TRP 70 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1qk8 s ASP 71 N -1.16 6.08 0.00 -0.99 1.01 -1.26 -4.94 116.67 115.40 1qk8 s ASP 71 Ca 0.26 2.06 0.05 0.00 0.71 0.00 0.00 52.55 55.63 1qk8 s ASP 71 Cb 0.15 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.54 1qk8 s ASP 71 CO 0.21 -0.97 0.58 -0.62 0.21 0.00 0.00 175.17 174.59 1qk8 n GLU 72 N -1.05 0.51 -3.43 8.23 1.02 -1.26 -4.90 120.64 119.76 1qk8 n GLU 72 Ca 0.10 -0.67 -0.40 0.00 -0.02 0.00 0.00 57.16 56.17 1qk8 n GLU 72 Cb 0.51 -1.03 -0.10 0.00 -0.02 0.00 0.00 31.44 30.81 1qk8 n GLU 72 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1qk8 s GLU 73 N -0.54 3.59 0.30 3.49 2.02 -1.26 -4.96 118.70 121.35 1qk8 s GLU 73 Ca 0.05 -0.44 -0.00 0.00 0.02 0.00 0.00 54.97 54.60 1qk8 s GLU 73 Cb 0.04 -3.79 0.48 0.00 0.10 0.00 0.00 34.13 30.95 1qk8 s GLU 73 CO 0.07 -0.48 1.90 1.49 0.02 0.00 0.00 175.26 178.27 1qk8 h GLU 74 N 8.45 0.87 0.00 1.61 4.81 -2.00 -2.48 114.58 125.85 1qk8 h GLU 74 Ca -0.30 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1qk8 h GLU 74 Cb 1.15 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1qk8 h GLU 74 CO 0.67 0.68 0.00 -0.44 -0.73 0.00 0.00 179.01 179.20 1qk8 h ASP 75 N 0.87 0.00 0.03 1.04 5.19 -2.02 -2.40 116.42 119.13 1qk8 h ASP 75 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1qk8 h ASP 75 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1qk8 h ASP 75 CO -0.03 0.00 -0.29 0.61 -3.12 0.00 0.00 179.24 176.41 1qk8 n GLY 76 N -0.40 0.12 0.12 2.75 0.00 -0.93 -4.50 105.19 102.35 1qk8 n GLY 76 Ca 0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1qk8 n GLY 76 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qk8 h PHE 77 N 2.69 -0.20 -0.25 1.61 3.57 -1.52 -2.07 116.94 120.77 1qk8 h PHE 77 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1qk8 h PHE 77 Cb 0.74 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 1qk8 h PHE 77 CO 0.00 0.01 0.01 0.00 -2.23 0.00 0.00 178.31 176.10 1qk8 h ALA 78 N 0.44 0.22 -0.57 2.41 0.00 -1.79 0.46 119.26 120.43 1qk8 h ALA 78 Ca -0.02 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1qk8 h ALA 78 Cb 0.30 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1qk8 h ALA 78 CO 0.04 -0.41 0.12 0.78 0.00 0.00 0.00 179.25 179.77 1qk8 h GLY 79 N 0.08 0.99 0.85 0.00 0.00 -1.83 -0.09 103.07 103.08 1qk8 h GLY 79 Ca 0.12 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1qk8 h GLY 79 CO -0.20 0.59 -0.05 -1.82 0.00 0.00 0.00 176.54 175.07 1qk8 h TYR 80 N 0.83 0.55 0.00 5.60 3.20 -1.01 -3.18 116.97 122.95 1qk8 h TYR 80 Ca 0.18 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 1qk8 h TYR 80 Cb 0.37 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1qk8 h TYR 80 CO 0.03 0.69 -0.50 0.35 -1.64 0.00 0.00 178.16 177.09 1qk8 h PHE 81 N 0.24 0.00 0.00 -3.82 3.57 -0.89 -2.81 116.94 113.23 1qk8 h PHE 81 Ca 0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1qk8 h PHE 81 Cb 0.51 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 1qk8 h PHE 81 CO 0.05 0.50 -0.03 0.00 -2.23 0.00 0.00 178.31 176.60 1qk8 h ALA 82 N 1.50 1.36 -0.00 2.41 0.00 -0.98 -0.79 119.26 122.76 1qk8 h ALA 82 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qk8 h ALA 82 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qk8 h ALA 82 CO 0.06 0.04 -0.02 1.63 0.00 0.00 0.00 179.25 180.96 1qk8 n LYS 83 N -3.64 0.72 -4.08 0.00 5.02 -1.06 -4.80 118.16 110.31 1qk8 n LYS 83 Ca -0.03 -0.08 -0.29 0.00 -2.02 0.00 0.00 58.31 55.89 1qk8 n LYS 83 Cb 0.12 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 1qk8 n LYS 83 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1qk8 s MET 84 N -2.34 2.77 0.00 1.97 -1.94 -0.30 -5.04 119.30 114.42 1qk8 s MET 84 Ca 0.35 -0.79 0.24 0.00 -1.71 0.00 0.00 55.69 53.78 1qk8 s MET 84 Cb 0.21 -2.64 0.17 0.00 2.01 0.00 0.00 34.83 34.57 1qk8 s MET 84 CO 0.43 0.54 1.21 -0.35 -0.01 0.00 0.00 175.02 176.83 1qk8 n PRO 85 N 0.30 1.32 0.00 2.03 -0.04 -1.26 -4.87 135.00 132.48 1qk8 n PRO 85 Ca -0.09 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1qk8 n PRO 85 Cb 0.52 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1qk8 n PRO 85 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qk8 n TRP 86 N 0.08 0.00 -3.23 0.54 2.14 -1.26 -4.87 117.44 110.83 1qk8 n TRP 86 Ca 0.11 0.00 -0.18 0.00 2.07 0.00 0.00 57.50 59.49 1qk8 n TRP 86 Cb 0.47 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.96 1qk8 n TRP 86 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1qk8 s LEU 87 N 0.00 3.67 -0.03 5.67 1.43 -0.50 -4.43 118.68 124.49 1qk8 s LEU 87 Ca 0.00 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1qk8 s LEU 87 Cb 0.00 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.69 1qk8 s LEU 87 CO 0.00 -0.66 0.29 0.00 0.23 0.00 0.00 176.35 176.21 1qk8 s ALA 88 N -2.34 -0.73 0.06 4.21 0.00 -0.45 -0.02 121.76 122.49 1qk8 s ALA 88 Ca 0.51 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1qk8 s ALA 88 Cb -0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1qk8 s ALA 88 CO 0.31 -0.24 1.15 0.08 0.00 0.00 0.00 175.76 177.07 1qk8 s VAL 89 N -1.08 4.17 0.70 0.00 1.01 -0.69 -0.79 120.40 123.72 1qk8 s VAL 89 Ca -0.11 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 63.28 1qk8 s VAL 89 Cb -0.05 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1qk8 s VAL 89 CO 0.03 0.13 1.25 -2.84 0.00 0.00 0.00 175.10 173.67 1qk8 s PRO 90 N 0.97 2.28 0.45 2.72 0.02 -1.26 -4.80 135.00 135.37 1qk8 s PRO 90 Ca 0.57 1.90 0.15 0.00 0.02 0.00 0.00 61.00 63.64 1qk8 s PRO 90 Cb -0.28 -1.83 1.07 0.00 0.02 0.00 0.00 34.50 33.48 1qk8 s PRO 90 CO 0.29 -1.76 1.99 0.35 -0.33 0.00 0.00 177.00 177.55 1qk8 h PHE 91 N 0.04 0.37 0.00 6.54 3.04 -1.98 -0.97 116.94 123.98 1qk8 h PHE 91 Ca -0.49 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.46 1qk8 h PHE 91 Cb 1.31 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.70 1qk8 h PHE 91 CO 0.44 0.18 -0.03 0.00 -2.02 0.00 0.00 178.31 176.89 1qk8 h ALA 92 N 1.72 1.05 -0.92 2.41 0.00 -2.01 -1.82 119.26 119.68 1qk8 h ALA 92 Ca 0.25 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.64 1qk8 h ALA 92 Cb 0.53 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.03 1qk8 h ALA 92 CO -0.06 0.03 0.58 1.04 0.00 0.00 0.00 179.25 180.84 1qk8 n GLN 93 N -3.19 2.26 -0.08 0.00 3.00 -0.37 -4.59 117.38 114.43 1qk8 n GLN 93 Ca -0.01 -3.08 0.04 0.00 -0.01 0.00 0.00 57.00 53.94 1qk8 n GLN 93 Cb 0.22 -2.15 0.38 0.00 0.00 0.00 0.00 30.24 28.69 1qk8 n GLN 93 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1qk8 h SER 94 N 1.12 0.57 -0.74 1.08 0.02 -1.42 -1.02 113.55 113.17 1qk8 h SER 94 Ca 0.59 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.55 1qk8 h SER 94 Cb 2.49 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 64.86 1qk8 h SER 94 CO 1.08 0.40 0.49 -0.08 -1.14 0.00 0.00 176.83 177.58 1qk8 h GLU 95 N 0.67 0.89 -0.82 3.45 4.81 -1.86 -0.22 114.58 121.51 1qk8 h GLU 95 Ca 0.21 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1qk8 h GLU 95 Cb 0.01 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1qk8 h GLU 95 CO -0.05 0.59 0.38 0.00 -0.73 0.00 0.00 179.01 179.20 1qk8 h ALA 96 N 1.56 1.06 -0.72 2.92 0.00 -1.56 -0.83 119.26 121.69 1qk8 h ALA 96 Ca 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1qk8 h ALA 96 Cb 0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1qk8 h ALA 96 CO -0.08 0.64 0.35 0.28 0.00 0.00 0.00 179.25 180.44 1qk8 h VAL 97 N 1.17 1.24 -0.38 0.00 2.07 -0.99 -0.92 116.25 118.44 1qk8 h VAL 97 Ca 0.28 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1qk8 h VAL 97 Cb 0.14 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1qk8 h VAL 97 CO -0.03 0.28 -0.19 1.56 0.02 0.00 0.00 177.57 179.20 1qk8 h GLN 98 N 1.01 0.73 -0.37 1.57 4.20 -0.78 0.24 115.11 121.71 1qk8 h GLN 98 Ca 0.25 -0.27 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 1qk8 h GLN 98 Cb 0.12 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1qk8 h GLN 98 CO -0.03 0.87 -0.19 0.87 -0.67 0.00 0.00 178.83 179.67 1qk8 h LYS 99 N 0.64 0.71 -0.23 1.46 1.57 -0.88 -1.82 116.57 118.02 1qk8 h LYS 99 Ca 0.10 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1qk8 h LYS 99 Cb 0.68 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1qk8 h LYS 99 CO 0.05 0.85 -0.34 1.25 -0.57 0.00 0.00 179.45 180.69 1qk8 h LEU 100 N 0.63 0.52 -0.86 2.94 5.85 -0.82 -0.30 115.31 123.26 1qk8 h LEU 100 Ca 0.09 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1qk8 h LEU 100 Cb 0.67 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1qk8 h LEU 100 CO 0.05 0.82 0.44 0.28 -0.34 0.00 0.00 178.44 179.69 1qk8 h SER 101 N 0.42 1.10 -0.21 1.25 0.02 -0.57 -0.94 113.55 114.63 1qk8 h SER 101 Ca 0.05 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 1qk8 h SER 101 Cb 0.79 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1qk8 h SER 101 CO 0.06 0.90 -0.31 0.50 -1.14 0.00 0.00 176.83 176.84 1qk8 h LYS 102 N 1.21 0.58 -0.88 3.45 3.64 -1.05 0.14 116.57 123.65 1qk8 h LYS 102 Ca 0.30 -0.35 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1qk8 h LYS 102 Cb 0.08 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 1qk8 h LYS 102 CO -0.04 0.95 0.53 1.25 -2.27 0.00 0.00 179.45 179.87 1qk8 h HIS 103 N 0.25 0.96 -0.36 1.91 2.76 -0.51 -1.12 115.15 119.05 1qk8 h HIS 103 Ca 0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1qk8 h HIS 103 Cb 0.90 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1qk8 h HIS 103 CO 0.09 0.41 0.00 1.19 -1.30 0.00 0.00 177.93 178.31 1qk8 n PHE 104 N -4.69 0.47 -3.74 5.26 3.72 -0.41 -4.95 117.46 113.13 1qk8 n PHE 104 Ca 0.15 -0.24 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 1qk8 n PHE 104 Cb 0.28 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.86 1qk8 n PHE 104 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1qk8 n ASN 105 N 0.67 -2.63 -4.64 4.37 3.02 -0.42 -4.91 115.26 110.72 1qk8 n ASN 105 Ca 0.15 -0.77 -0.42 0.00 -0.03 0.00 0.00 54.58 53.50 1qk8 n ASN 105 Cb 0.36 -4.15 -0.03 0.00 -0.61 0.00 0.00 39.78 35.35 1qk8 n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qk8 s VAL 106 N -3.52 4.69 -0.10 2.41 1.01 0.40 -4.85 120.40 120.44 1qk8 s VAL 106 Ca 0.23 1.68 0.07 0.00 0.00 0.00 0.00 61.98 63.96 1qk8 s VAL 106 Cb -0.11 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1qk8 s VAL 106 CO 0.81 -0.25 0.18 -0.62 0.00 0.00 0.00 175.10 175.22 1qk8 n GLU 107 N 6.38 1.61 -3.94 2.72 1.02 -1.26 -4.78 120.64 122.39 1qk8 n GLU 107 Ca 0.09 -0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.10 1qk8 n GLU 107 Cb 0.47 -1.05 -0.08 0.00 -0.02 0.00 0.00 31.44 30.76 1qk8 n GLU 107 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1qk8 s SER 108 N -2.41 0.24 -0.03 1.62 1.04 -1.26 -5.17 113.70 107.73 1qk8 s SER 108 Ca -0.01 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.72 1qk8 s SER 108 Cb 0.04 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 1qk8 s SER 108 CO 0.27 -0.66 -0.16 0.27 0.98 0.00 0.00 173.24 173.94 1qk8 s ILE 109 N -3.70 1.31 0.24 -1.02 -4.36 -1.26 -4.30 121.20 108.10 1qk8 s ILE 109 Ca 0.04 -0.67 -0.12 0.00 -0.26 0.00 0.00 60.65 59.64 1qk8 s ILE 109 Cb 0.05 -1.11 -0.08 0.00 1.25 0.00 0.00 42.46 42.57 1qk8 s ILE 109 CO -0.10 0.38 0.61 -2.16 0.24 0.00 0.00 174.94 173.91 1qk8 s PRO 110 N -0.08 3.91 -0.02 0.37 0.04 -1.26 -4.75 135.00 133.22 1qk8 s PRO 110 Ca -0.00 0.45 -0.04 0.00 0.04 0.00 0.00 61.00 61.45 1qk8 s PRO 110 Cb -0.09 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1qk8 s PRO 110 CO 0.01 0.31 0.09 0.99 0.04 0.00 0.00 177.00 178.44 1qk8 s THR 111 N -1.77 0.03 -0.16 1.26 2.01 -0.90 -4.94 115.64 111.16 1qk8 s THR 111 Ca 0.47 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 1qk8 s THR 111 Cb -0.12 -0.21 0.05 0.00 0.01 0.00 0.00 72.50 72.23 1qk8 s THR 111 CO 0.20 -0.13 0.02 -0.22 -0.69 0.00 0.00 174.62 173.80 1qk8 s LEU 112 N -0.40 1.05 -0.17 4.42 2.96 -1.26 -0.91 118.68 124.37 1qk8 s LEU 112 Ca -0.05 -0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 53.23 1qk8 s LEU 112 Cb -0.03 -0.57 0.00 0.00 0.50 0.00 0.00 46.19 46.09 1qk8 s LEU 112 CO 0.00 -0.27 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.98 1qk8 s ILE 113 N 1.87 2.60 -0.20 6.68 -1.09 -0.62 -2.78 121.20 127.66 1qk8 s ILE 113 Ca 0.01 -0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 57.57 1qk8 s ILE 113 Cb -0.16 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 1qk8 s ILE 113 CO -0.07 0.51 0.09 -0.83 -1.23 0.00 0.00 174.94 173.40 1qk8 s GLY 114 N 1.02 1.91 0.09 6.18 0.00 0.39 -0.16 107.32 116.76 1qk8 s GLY 114 Ca -0.01 -0.82 0.08 0.00 0.00 0.00 0.00 44.72 43.97 1qk8 s GLY 114 CO -0.04 0.19 -0.20 -1.34 0.00 0.00 0.00 173.10 171.71 1qk8 s VAL 115 N 0.65 1.65 -0.08 1.40 -7.23 0.57 -0.75 120.40 116.61 1qk8 s VAL 115 Ca 0.04 -1.48 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 1qk8 s VAL 115 Cb -0.13 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 1qk8 s VAL 115 CO 0.01 -0.05 1.04 -0.62 -0.31 0.00 0.00 175.10 175.18 1qk8 s ASP 116 N -1.82 7.22 0.19 4.85 2.15 -0.09 -0.46 116.67 128.72 1qk8 s ASP 116 Ca 0.06 1.61 -0.10 0.00 0.43 0.00 0.00 52.55 54.54 1qk8 s ASP 116 Cb -0.10 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 40.08 1qk8 s ASP 116 CO 0.04 -0.45 1.79 0.00 -0.17 0.00 0.00 175.17 176.38 1qk8 h ALA 117 N 7.11 0.89 -0.20 3.66 0.00 -1.55 0.33 119.26 129.50 1qk8 h ALA 117 Ca -0.33 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1qk8 h ALA 117 Cb 1.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1qk8 h ALA 117 CO 0.84 0.45 -0.59 -0.44 0.00 0.00 0.00 179.25 179.51 1qk8 h ASP 118 N 0.96 0.86 0.29 0.00 3.32 -1.89 -3.03 116.42 116.94 1qk8 h ASP 118 Ca 0.24 -0.58 -0.18 0.00 0.02 0.00 0.00 57.03 56.52 1qk8 h ASP 118 Cb 0.10 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1qk8 h ASP 118 CO -0.03 1.29 -1.88 -1.54 -1.72 0.00 0.00 179.24 175.36 1qk8 n SER 119 N -4.07 0.34 0.00 6.45 3.41 -1.22 -3.19 113.62 115.35 1qk8 n SER 119 Ca -0.06 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1qk8 n SER 119 Cb 0.64 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 1qk8 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qk8 n GLY 120 N 1.47 0.88 3.77 5.00 0.00 0.12 -4.64 105.19 111.78 1qk8 n GLY 120 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1qk8 n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qk8 s ASP 121 N -2.94 6.77 0.03 1.61 1.01 -1.24 -4.64 116.67 117.27 1qk8 s ASP 121 Ca 0.00 2.56 -0.30 0.00 0.71 0.00 0.00 52.55 55.52 1qk8 s ASP 121 Cb 0.00 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 1qk8 s ASP 121 CO 0.00 -0.52 1.31 -0.69 0.21 0.00 0.00 175.17 175.48 1qk8 s VAL 122 N -1.19 3.80 -0.28 -1.27 1.01 -1.26 -0.91 120.40 120.30 1qk8 s VAL 122 Ca 0.50 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.59 1qk8 s VAL 122 Cb -0.37 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.09 1qk8 s VAL 122 CO 0.48 0.04 -0.34 0.52 0.00 0.00 0.00 175.10 175.80 1qk8 n VAL 123 N 4.32 1.53 -3.80 2.92 0.31 0.07 -4.91 118.33 118.76 1qk8 n VAL 123 Ca 0.11 -0.39 -0.12 0.00 -0.01 0.00 0.00 64.34 63.92 1qk8 n VAL 123 Cb 0.44 -1.86 -0.11 0.00 -0.91 0.00 0.00 33.84 31.41 1qk8 n VAL 123 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1qk8 s THR 124 N -2.51 0.02 -0.52 2.52 -1.32 -0.84 -1.44 115.64 111.55 1qk8 s THR 124 Ca -0.39 -0.18 0.04 0.00 -1.21 0.00 0.00 61.69 59.96 1qk8 s THR 124 Cb 0.15 -0.39 0.05 0.00 -1.51 0.00 0.00 72.50 70.80 1qk8 s THR 124 CO 0.50 -0.10 0.73 0.35 -2.21 0.00 0.00 174.62 173.89 1qk8 n THR 125 N 2.48 0.20 -1.64 5.08 -2.24 -1.26 -0.46 114.28 116.44 1qk8 n THR 125 Ca -0.16 -0.60 0.06 0.00 -2.27 0.00 0.00 64.05 61.09 1qk8 n THR 125 Cb 0.58 0.97 0.15 0.00 -2.10 0.00 0.00 70.33 69.93 1qk8 n THR 125 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qk8 n ARG 126 N 0.18 1.14 0.26 -0.78 1.74 -1.26 -4.71 116.66 113.24 1qk8 n ARG 126 Ca 0.03 -2.74 0.14 0.00 -0.77 0.00 0.00 57.85 54.51 1qk8 n ARG 126 Cb 0.15 -1.25 0.68 0.00 -1.02 0.00 0.00 32.46 31.03 1qk8 n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qk8 h ALA 127 N 0.67 1.10 -0.02 7.54 0.00 -1.80 -1.05 119.26 125.71 1qk8 h ALA 127 Ca -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qk8 h ALA 127 Cb 1.17 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1qk8 h ALA 127 CO 0.02 0.14 0.01 -0.09 0.00 0.00 0.00 179.25 179.33 1qk8 h ARG 128 N 0.00 0.03 -0.59 0.00 1.12 -1.87 -0.48 114.38 112.58 1qk8 h ARG 128 Ca -0.00 -0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.79 1qk8 h ARG 128 Cb 0.48 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.41 1qk8 h ARG 128 CO 0.01 0.13 0.09 0.00 -3.11 0.00 0.00 179.97 177.10 1qk8 h ALA 129 N 0.90 0.79 0.07 2.80 0.00 -1.73 -3.19 119.26 118.90 1qk8 h ALA 129 Ca 0.01 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.42 1qk8 h ALA 129 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1qk8 h ALA 129 CO -0.00 0.55 -1.12 1.79 0.00 0.00 0.00 179.25 180.47 1qk8 h THR 130 N 0.89 1.58 -0.70 0.00 1.35 -1.16 -3.26 112.91 111.60 1qk8 h THR 130 Ca 0.18 -3.16 -0.05 0.00 -0.55 0.00 0.00 66.41 62.83 1qk8 h THR 130 Cb 0.43 2.87 -0.03 0.00 -1.73 0.00 0.00 68.15 69.68 1qk8 h THR 130 CO 0.01 0.92 0.25 0.25 -0.25 0.00 0.00 175.52 176.70 1qk8 h LEU 131 N 0.05 0.98 -1.64 3.87 5.85 -1.11 -2.01 115.31 121.30 1qk8 h LEU 131 Ca -0.08 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1qk8 h LEU 131 Cb 1.85 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 1qk8 h LEU 131 CO 0.17 0.90 -0.05 -0.37 -0.34 0.00 0.00 178.44 178.75 1qk8 h VAL 132 N 1.03 0.15 -0.35 1.05 -1.51 -1.59 -1.28 116.25 113.75 1qk8 h VAL 132 Ca 0.23 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1qk8 h VAL 132 Cb 0.25 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1qk8 h VAL 132 CO -0.01 0.05 0.00 0.29 -1.23 0.00 0.00 177.57 176.66 1qk8 n LYS 133 N -3.20 2.34 -2.93 5.19 5.02 -0.81 -4.56 118.16 119.21 1qk8 n LYS 133 Ca -0.00 -2.03 -0.14 0.00 -2.02 0.00 0.00 58.31 54.12 1qk8 n LYS 133 Cb 0.29 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1qk8 n LYS 133 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1qk8 n ASP 134 N 1.24 -1.44 0.27 4.39 2.03 -0.50 -4.98 116.55 117.56 1qk8 n ASP 134 Ca 0.19 -3.15 0.12 0.00 0.52 0.00 0.00 54.79 52.47 1qk8 n ASP 134 Cb 0.54 0.81 0.76 0.00 -0.72 0.00 0.00 41.12 42.52 1qk8 n ASP 134 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1qk8 h PRO 135 N 3.72 0.00 -0.19 -0.67 0.13 -1.76 -0.85 132.00 132.39 1qk8 h PRO 135 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1qk8 h PRO 135 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1qk8 h PRO 135 CO 0.36 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 1qk8 n GLU 136 N -3.95 1.99 -2.85 0.86 -0.58 -1.26 -4.85 120.64 110.00 1qk8 n GLU 136 Ca -0.03 -1.48 -0.20 0.00 -0.42 0.00 0.00 57.16 55.03 1qk8 n GLU 136 Cb 0.15 -1.45 0.03 0.00 -0.57 0.00 0.00 31.44 29.60 1qk8 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qk8 n GLY 137 N 1.26 -0.42 0.25 0.62 0.00 -0.32 -4.88 105.19 101.69 1qk8 n GLY 137 Ca 0.17 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1qk8 n GLY 137 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qk8 h GLU 138 N -1.06 0.00 -0.22 1.61 5.08 -1.93 -2.38 114.58 115.69 1qk8 h GLU 138 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1qk8 h GLU 138 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1qk8 h GLU 138 CO 0.53 0.16 0.00 1.04 -1.00 0.00 0.00 179.01 179.74 1qk8 n GLN 139 N -3.53 2.79 -1.69 2.33 3.00 -1.26 -5.03 117.38 113.98 1qk8 n GLN 139 Ca -0.01 -2.08 -0.44 0.00 -0.01 0.00 0.00 57.00 54.46 1qk8 n GLN 139 Cb 0.31 -1.31 -0.03 0.00 0.00 0.00 0.00 30.24 29.20 1qk8 n GLN 139 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1qk8 n PHE 140 N -0.07 2.56 -1.20 1.08 -0.00 -0.90 -1.14 117.46 117.78 1qk8 n PHE 140 Ca 0.11 0.05 -0.04 0.00 -0.00 0.00 0.00 57.45 57.56 1qk8 n PHE 140 Cb 0.47 -2.65 0.24 0.00 -0.00 0.00 0.00 39.48 37.54 1qk8 n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1qk8 n PRO 141 N 4.42 2.67 -3.70 -7.13 -0.04 -1.26 -4.95 135.00 125.01 1qk8 n PRO 141 Ca 0.17 -3.05 -0.22 0.00 -0.04 0.00 0.00 63.50 60.36 1qk8 n PRO 141 Cb 0.33 -1.98 0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1qk8 n PRO 141 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1qk8 n TRP 142 N -0.72 -1.98 -1.67 0.54 8.01 -0.29 -4.59 117.44 116.73 1qk8 n TRP 142 Ca 0.36 0.86 -0.45 0.00 -1.31 0.00 0.00 57.50 56.96 1qk8 n TRP 142 Cb 1.19 -4.43 -0.03 0.00 -2.01 0.00 0.00 31.31 26.03 1qk8 n TRP 142 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1qk8 n LYS 143 N -4.31 2.04 -1.82 -0.99 5.02 -1.26 -4.62 118.16 112.22 1qk8 n LYS 143 Ca -0.27 0.73 -0.36 0.00 -2.02 0.00 0.00 58.31 56.40 1qk8 n LYS 143 Cb 0.66 -2.40 0.05 0.00 -0.02 0.00 0.00 35.03 33.33 1qk8 n LYS 143 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qk8 s ASP 144 N 0.38 4.85 0.00 4.39 1.11 -0.52 -4.99 116.67 121.89 1qk8 s ASP 144 Ca 0.70 2.41 0.00 0.00 0.18 0.00 0.00 52.55 55.84 1qk8 s ASP 144 Cb -0.66 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 40.74 1qk8 s ASP 144 CO 0.48 -1.83 0.50 0.00 1.18 0.00 0.00 175.17 175.50