#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk4 h ALA 2 N 0.00 1.05 -2.63 3.04 0.00 -1.74 -3.45 119.26 115.53 1qk4 h ALA 2 Ca 0.00 -0.10 -0.50 0.00 0.00 0.00 0.00 54.91 54.31 1qk4 h ALA 2 Cb 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 17.83 1qk4 h ALA 2 CO 0.00 0.14 0.46 -1.54 0.00 0.00 0.00 179.25 178.31 1qk4 s SER 3 N -5.94 6.21 -0.29 0.00 1.04 -1.26 -4.88 113.70 108.59 1qk4 s SER 3 Ca -0.00 2.23 -0.19 0.00 0.48 0.00 0.00 55.95 58.47 1qk4 s SER 3 Cb 0.10 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.77 1qk4 s SER 3 CO 0.58 -0.88 1.03 -0.75 0.98 0.00 0.00 173.24 174.20 1qk4 s LYS 4 N -2.77 0.37 0.28 4.02 2.20 -1.26 -5.12 119.74 117.46 1qk4 s LYS 4 Ca 0.64 0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 56.52 1qk4 s LYS 4 Cb -0.26 0.11 -0.13 0.00 -1.51 0.00 0.00 37.83 36.05 1qk4 s LYS 4 CO 0.32 -0.07 1.46 -2.30 -0.36 0.00 0.00 175.35 174.40 1qk4 n PRO 5 N 3.14 2.30 0.25 4.03 -0.02 -1.26 -4.63 135.00 138.82 1qk4 n PRO 5 Ca -0.16 0.82 0.08 0.00 -2.02 0.00 0.00 63.50 62.22 1qk4 n PRO 5 Cb 0.57 -2.51 0.63 0.00 -0.02 0.00 0.00 33.50 32.17 1qk4 n PRO 5 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1qk4 h ILE 6 N 3.09 0.96 0.00 4.25 1.08 -1.94 -1.11 117.51 123.84 1qk4 h ILE 6 Ca -0.46 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 63.76 1qk4 h ILE 6 Cb 1.26 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 36.13 1qk4 h ILE 6 CO 0.75 0.06 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.82 1qk4 h GLU 7 N 0.00 0.00 0.00 2.37 3.07 -1.99 -1.83 114.58 116.20 1qk4 h GLU 7 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qk4 h GLU 7 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1qk4 h GLU 7 CO 0.01 0.12 0.00 -0.25 -1.40 0.00 0.00 179.01 177.49 1qk4 n ASP 8 N -3.64 0.00 -4.64 1.42 8.00 -0.42 -4.89 116.55 112.38 1qk4 n ASP 8 Ca -0.02 -0.92 -0.49 0.00 0.71 0.00 0.00 54.79 54.07 1qk4 n ASP 8 Cb 0.24 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 1qk4 n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qk4 n TYR 9 N -1.02 1.97 -0.48 1.24 9.36 -0.69 -0.99 117.16 126.55 1qk4 n TYR 9 Ca 0.23 0.41 0.00 0.00 3.32 0.00 0.00 57.90 61.86 1qk4 n TYR 9 Cb 0.11 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.36 1qk4 n TYR 9 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qk4 n GLY 10 N 3.14 1.43 0.01 2.98 0.00 -1.26 -4.90 105.19 106.59 1qk4 n GLY 10 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1qk4 n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qk4 n LYS 11 N -2.00 0.06 -3.27 1.61 5.02 -0.16 -1.62 118.16 117.80 1qk4 n LYS 11 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.06 1qk4 n LYS 11 Cb 0.00 -1.52 0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1qk4 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qk4 n GLY 12 N 1.47 -0.52 3.71 0.72 0.00 -1.24 -4.82 105.19 104.51 1qk4 n GLY 12 Ca 0.05 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1qk4 n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qk4 s LYS 13 N -5.95 4.38 -0.78 1.61 2.20 -1.26 -2.33 119.74 117.60 1qk4 s LYS 13 Ca 0.40 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1qk4 s LYS 13 Cb -0.19 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1qk4 s LYS 13 CO 0.50 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 1qk4 n GLY 14 N 3.34 0.94 3.85 5.54 0.00 -1.26 -5.01 105.19 112.59 1qk4 n GLY 14 Ca 0.10 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1qk4 n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qk4 s ARG 15 N -2.48 3.38 -0.26 1.61 1.70 -0.99 -5.01 118.95 116.90 1qk4 s ARG 15 Ca 0.00 0.81 -0.25 0.00 -0.47 0.00 0.00 55.73 55.81 1qk4 s ARG 15 Cb 0.00 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.33 1qk4 s ARG 15 CO 0.00 -0.74 0.88 0.42 -1.08 0.00 0.00 175.30 174.78 1qk4 s ILE 16 N -3.14 4.77 0.55 4.99 1.01 -1.26 -5.00 121.20 123.11 1qk4 s ILE 16 Ca 0.56 1.58 -0.21 0.00 0.00 0.00 0.00 60.65 62.58 1qk4 s ILE 16 Cb -0.12 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1qk4 s ILE 16 CO 0.54 -0.17 1.24 -0.62 0.00 0.00 0.00 174.94 175.94 1qk4 n GLU 17 N 6.18 1.45 -1.33 2.79 -0.58 -1.26 -4.68 120.64 123.21 1qk4 n GLU 17 Ca 0.07 0.54 -0.29 0.00 -0.42 0.00 0.00 57.16 57.06 1qk4 n GLU 17 Cb 0.47 -2.44 0.16 0.00 -0.57 0.00 0.00 31.44 29.06 1qk4 n GLU 17 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1qk4 s PRO 18 N -2.81 0.79 0.20 3.49 0.04 -1.26 -4.96 135.00 130.49 1qk4 s PRO 18 Ca 0.72 0.43 -0.31 0.00 0.04 0.00 0.00 61.00 61.89 1qk4 s PRO 18 Cb -0.43 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1qk4 s PRO 18 CO 0.49 -2.47 1.54 1.41 0.04 0.00 0.00 177.00 178.01 1qk4 s MET 19 N -5.10 4.22 -0.34 4.56 -2.45 -0.37 -4.76 119.30 115.05 1qk4 s MET 19 Ca 0.64 2.38 -0.14 0.00 -1.25 0.00 0.00 55.69 57.32 1qk4 s MET 19 Cb -0.17 -3.12 -0.01 0.00 1.25 0.00 0.00 34.83 32.77 1qk4 s MET 19 CO 0.56 -0.56 0.31 -0.47 1.05 0.00 0.00 175.02 175.91 1qk4 s TYR 20 N 0.69 3.22 -0.33 4.11 5.04 -1.26 -0.71 117.35 128.10 1qk4 s TYR 20 Ca 0.66 -0.10 -0.15 0.00 -2.44 0.00 0.00 57.07 55.04 1qk4 s TYR 20 Cb -0.44 -2.59 -0.02 0.00 0.35 0.00 0.00 41.96 39.27 1qk4 s TYR 20 CO 0.36 -0.40 0.37 0.42 -1.34 0.00 0.00 175.55 174.97 1qk4 s ILE 21 N 1.89 5.16 0.85 3.14 -1.09 -0.44 -4.97 121.20 125.75 1qk4 s ILE 21 Ca 0.09 0.13 -0.10 0.00 -2.23 0.00 0.00 60.65 58.54 1qk4 s ILE 21 Cb -0.17 -3.81 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 1qk4 s ILE 21 CO 0.11 -0.07 1.12 -2.84 -1.23 0.00 0.00 174.94 172.04 1qk4 s PRO 22 N 2.05 1.55 0.64 2.79 0.02 -1.26 -4.34 135.00 136.46 1qk4 s PRO 22 Ca 0.13 1.37 -0.18 0.00 0.02 0.00 0.00 61.00 62.33 1qk4 s PRO 22 Cb -0.16 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1qk4 s PRO 22 CO 0.12 -2.20 1.22 -0.25 -0.33 0.00 0.00 177.00 175.56 1qk4 n ASP 23 N -3.92 1.77 -3.80 2.53 8.00 -1.26 -3.18 116.55 116.69 1qk4 n ASP 23 Ca 0.10 0.82 -0.28 0.00 0.71 0.00 0.00 54.79 56.15 1qk4 n ASP 23 Cb 0.53 -1.52 0.04 0.00 -0.02 0.00 0.00 41.12 40.15 1qk4 n ASP 23 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qk4 n ASN 24 N -1.70 -5.00 -4.00 -2.24 4.05 -1.26 -4.98 115.26 100.13 1qk4 n ASN 24 Ca 0.16 -0.71 -0.31 0.00 0.45 0.00 0.00 54.58 54.17 1qk4 n ASN 24 Cb 0.48 -4.26 -0.15 0.00 1.23 0.00 0.00 39.78 37.08 1qk4 n ASN 24 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1qk4 s THR 25 N -3.33 1.83 0.16 -0.44 2.01 -1.19 -5.09 115.64 109.59 1qk4 s THR 25 Ca 0.59 -1.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 1qk4 s THR 25 Cb -0.28 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.21 1qk4 s THR 25 CO 0.80 -0.06 0.34 0.72 -0.69 0.00 0.00 174.62 175.73 1qk4 s PHE 26 N 1.26 0.18 0.28 4.92 -0.12 -1.26 -4.82 117.98 118.41 1qk4 s PHE 26 Ca -0.07 -0.55 0.01 0.00 -0.05 0.00 0.00 56.93 56.27 1qk4 s PHE 26 Cb -0.19 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1qk4 s PHE 26 CO -0.06 -0.75 0.46 0.71 -0.05 0.00 0.00 175.22 175.54 1qk4 s TYR 27 N -3.92 3.48 0.05 3.49 2.02 0.79 -4.89 117.35 118.37 1qk4 s TYR 27 Ca 0.12 0.28 -0.20 0.00 -0.37 0.00 0.00 57.07 56.90 1qk4 s TYR 27 Cb 0.02 -1.82 -0.06 0.00 -0.40 0.00 0.00 41.96 39.70 1qk4 s TYR 27 CO -0.03 0.27 0.60 -0.80 -1.57 0.00 0.00 175.55 174.01 1qk4 s ASN 28 N -3.74 7.05 0.42 2.29 0.01 -1.26 -0.74 114.94 118.97 1qk4 s ASN 28 Ca 0.38 1.25 0.13 0.00 -0.71 0.00 0.00 52.86 53.91 1qk4 s ASN 28 Cb -0.10 -2.37 0.90 0.00 0.41 0.00 0.00 41.25 40.09 1qk4 s ASN 28 CO 0.32 0.20 1.95 0.00 -1.51 0.00 0.00 177.10 178.06 1qk4 h ALA 29 N 4.99 1.61 0.00 0.60 0.00 -1.65 -1.62 119.26 123.19 1qk4 h ALA 29 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1qk4 h ALA 29 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1qk4 h ALA 29 CO 0.66 0.29 0.00 -0.44 0.00 0.00 0.00 179.25 179.76 1qk4 h ASP 30 N 0.08 0.00 0.48 0.00 3.32 -1.90 -1.91 116.42 116.50 1qk4 h ASP 30 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1qk4 h ASP 30 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1qk4 h ASP 30 CO 0.03 0.00 -0.05 0.47 -1.72 0.00 0.00 179.24 177.96 1qk4 n ASP 31 N -2.70 0.19 -4.57 6.45 8.00 -0.61 -4.85 116.55 118.46 1qk4 n ASP 31 Ca -0.01 -0.32 -0.25 0.00 0.71 0.00 0.00 54.79 54.92 1qk4 n ASP 31 Cb 0.12 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 1qk4 n ASP 31 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qk4 s PHE 32 N -2.54 2.46 -0.45 1.24 0.08 -0.72 -5.10 117.98 112.95 1qk4 s PHE 32 Ca 0.28 -0.46 -0.25 0.00 0.12 0.00 0.00 56.93 56.62 1qk4 s PHE 32 Cb 0.20 -1.39 0.03 0.00 -0.57 0.00 0.00 43.02 41.29 1qk4 s PHE 32 CO 0.47 0.55 0.92 -1.17 -0.10 0.00 0.00 175.22 175.89 1qk4 s LEU 33 N -3.64 4.01 -0.18 -0.37 2.96 -1.26 -5.02 118.68 115.18 1qk4 s LEU 33 Ca 0.33 0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 54.35 1qk4 s LEU 33 Cb 0.01 -3.19 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 1qk4 s LEU 33 CO 0.18 -1.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.45 1qk4 s VAL 34 N 3.72 3.68 0.61 1.68 1.01 -1.26 -5.00 120.40 124.83 1qk4 s VAL 34 Ca 0.37 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1qk4 s VAL 34 Cb -0.10 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1qk4 s VAL 34 CO 0.26 0.46 1.13 -2.16 0.00 0.00 0.00 175.10 174.79 1qk4 s PRO 35 N 0.85 3.01 0.28 2.72 0.04 -1.26 -4.62 135.00 136.02 1qk4 s PRO 35 Ca -0.01 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.60 1qk4 s PRO 35 Cb -0.15 -1.97 0.68 0.00 0.04 0.00 0.00 34.50 33.11 1qk4 s PRO 35 CO 0.02 -1.11 1.68 -1.35 0.04 0.00 0.00 177.00 176.28 1qk4 h PRO 36 N 0.58 0.33 0.00 0.56 0.11 -2.00 0.78 132.00 132.37 1qk4 h PRO 36 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1qk4 h PRO 36 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qk4 h PRO 36 CO 0.55 0.22 0.00 1.12 -0.21 0.00 0.00 178.00 179.68 1qk4 h HIS 37 N 0.34 0.00 0.00 0.65 2.07 -2.06 -3.02 115.15 113.13 1qk4 h HIS 37 Ca 0.53 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.05 1qk4 h HIS 37 Cb 1.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.99 1qk4 h HIS 37 CO -0.18 0.00 -1.53 0.00 -3.07 0.00 0.00 177.93 173.15 1qk4 h LYS 39 N 0.00 0.47 0.00 0.00 1.63 -1.02 -0.31 116.57 117.33 1qk4 h LYS 39 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1qk4 h LYS 39 Cb 0.62 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1qk4 h LYS 39 CO 0.00 0.31 0.00 -1.35 -3.45 0.00 0.00 179.45 174.96 1qk4 h PRO 40 N 0.48 0.00 0.00 1.90 0.11 -1.85 -3.28 132.00 129.36 1qk4 h PRO 40 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1qk4 h PRO 40 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1qk4 h PRO 40 CO -0.45 0.00 -1.48 0.66 -0.21 0.00 0.00 178.00 176.52 1qk4 n TYR 41 N -2.45 0.00 -3.45 0.65 4.02 -0.15 -4.81 117.16 110.96 1qk4 n TYR 41 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.51 1qk4 n TYR 41 Cb 0.23 -0.26 -0.10 0.00 -0.02 0.00 0.00 39.34 39.20 1qk4 n TYR 41 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1qk4 s ILE 42 N -2.79 5.21 -0.10 -0.72 -1.09 -1.05 -4.28 121.20 116.38 1qk4 s ILE 42 Ca -0.04 0.38 -0.04 0.00 -2.23 0.00 0.00 60.65 58.72 1qk4 s ILE 42 Cb 0.08 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 1qk4 s ILE 42 CO 0.50 0.15 -0.12 0.47 -1.23 0.00 0.00 174.94 174.72 1qk4 n ASP 43 N 5.26 1.15 -4.50 3.58 8.00 -1.26 -4.76 116.55 124.02 1qk4 n ASP 43 Ca -0.10 0.09 -0.34 0.00 0.71 0.00 0.00 54.79 55.15 1qk4 n ASP 43 Cb 0.51 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 41.22 1qk4 n ASP 43 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qk4 s LYS 44 N -2.18 3.41 -0.25 -1.24 1.02 -1.26 -1.80 119.74 117.44 1qk4 s LYS 44 Ca -0.13 -0.55 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 1qk4 s LYS 44 Cb 0.05 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1qk4 s LYS 44 CO 0.18 0.34 -0.00 0.42 -0.92 0.00 0.00 175.35 175.36 1qk4 s ILE 45 N 0.08 3.49 -0.01 2.17 -1.09 0.08 -1.66 121.20 124.26 1qk4 s ILE 45 Ca -0.01 -0.64 -0.19 0.00 -2.23 0.00 0.00 60.65 57.57 1qk4 s ILE 45 Cb -0.14 -2.69 -0.33 0.00 -1.58 0.00 0.00 42.46 37.72 1qk4 s ILE 45 CO 0.03 0.27 0.95 0.25 -1.23 0.00 0.00 174.94 175.21 1qk4 h LEU 46 N 8.13 0.64 -6.98 2.97 5.85 -1.00 0.22 115.31 125.14 1qk4 h LEU 46 Ca -0.37 -0.93 -0.51 0.00 0.84 0.00 0.00 57.88 56.91 1qk4 h LEU 46 Cb 1.14 -0.21 -0.40 0.00 0.37 0.00 0.00 40.66 41.56 1qk4 h LEU 46 CO 0.60 1.53 -0.77 -0.76 -0.34 0.00 0.00 178.44 178.70 1qk4 s LEU 47 N -7.78 0.76 0.48 2.25 1.43 -0.90 -4.74 118.68 110.17 1qk4 s LEU 47 Ca -0.12 -1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 51.71 1qk4 s LEU 47 Cb 0.02 -0.41 -0.09 0.00 0.03 0.00 0.00 46.19 45.75 1qk4 s LEU 47 CO 0.88 -0.39 1.06 -2.65 0.23 0.00 0.00 176.35 175.49 1qk4 n PRO 48 N 5.19 1.36 -0.27 1.29 -0.02 -1.26 -0.37 135.00 140.92 1qk4 n PRO 48 Ca -0.06 0.50 0.14 0.00 -2.02 0.00 0.00 63.50 62.05 1qk4 n PRO 48 Cb 0.45 -2.17 0.40 0.00 -0.02 0.00 0.00 33.50 32.16 1qk4 n PRO 48 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1qk4 h GLY 49 N 1.35 1.18 1.92 -1.23 0.00 -1.89 0.01 103.07 104.42 1qk4 h GLY 49 Ca -0.47 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 46.46 1qk4 h GLY 49 CO 0.56 0.05 -0.54 -1.33 0.00 0.00 0.00 176.54 175.27 1qk4 h GLY 50 N 0.63 0.09 1.03 4.60 0.00 -1.89 -1.78 103.07 105.76 1qk4 h GLY 50 Ca 0.47 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.57 1qk4 h GLY 50 CO -0.22 0.09 -0.26 -2.00 0.00 0.00 0.00 176.54 174.15 1qk4 h LEU 51 N 0.06 0.86 -0.16 3.11 5.85 -1.37 -1.12 115.31 122.55 1qk4 h LEU 51 Ca -0.00 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1qk4 h LEU 51 Cb 0.98 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1qk4 h LEU 51 CO 0.08 1.11 -0.13 0.58 -0.34 0.00 0.00 178.44 179.74 1qk4 h VAL 52 N 0.61 0.62 -0.36 1.05 2.07 -1.14 -1.36 116.25 117.75 1qk4 h VAL 52 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1qk4 h VAL 52 Cb 0.83 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1qk4 h VAL 52 CO 0.07 0.00 0.13 0.11 0.02 0.00 0.00 177.57 177.90 1qk4 h LYS 53 N -0.15 0.27 -0.59 1.57 1.57 -1.11 -0.44 116.57 117.69 1qk4 h LYS 53 Ca 0.10 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1qk4 h LYS 53 Cb 0.30 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1qk4 h LYS 53 CO -0.25 0.18 0.22 -0.44 -0.57 0.00 0.00 179.45 178.59 1qk4 h ASP 54 N 0.28 0.80 -0.26 0.86 3.32 -0.83 -1.81 116.42 118.77 1qk4 h ASP 54 Ca 0.16 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1qk4 h ASP 54 Cb 0.13 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1qk4 h ASP 54 CO -0.16 0.73 -0.15 -0.09 -1.72 0.00 0.00 179.24 177.85 1qk4 h ARG 55 N 0.85 0.57 -0.01 3.56 9.65 -0.87 -2.94 114.38 125.19 1qk4 h ARG 55 Ca 0.20 -0.26 -0.05 0.00 -1.10 0.00 0.00 59.98 58.77 1qk4 h ARG 55 Cb 0.19 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1qk4 h ARG 55 CO -0.02 0.83 -0.22 0.28 2.80 0.00 0.00 179.97 183.65 1qk4 h VAL 56 N 0.30 1.16 -0.80 0.20 2.07 -0.80 -1.12 116.25 117.26 1qk4 h VAL 56 Ca 0.06 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1qk4 h VAL 56 Cb 0.67 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1qk4 h VAL 56 CO 0.04 0.22 0.47 -0.08 0.02 0.00 0.00 177.57 178.25 1qk4 h GLU 57 N 0.02 1.09 -0.35 1.57 4.81 -1.16 0.16 114.58 120.72 1qk4 h GLU 57 Ca 0.00 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1qk4 h GLU 57 Cb 0.40 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1qk4 h GLU 57 CO 0.03 0.77 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.81 1qk4 h LYS 58 N 1.10 0.64 -0.81 1.92 1.63 -1.18 -1.54 116.57 118.33 1qk4 h LYS 58 Ca 0.29 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1qk4 h LYS 58 Cb -0.03 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 1qk4 h LYS 58 CO -0.05 0.79 0.47 -0.07 -3.45 0.00 0.00 179.45 177.14 1qk4 h LEU 59 N 0.44 0.98 -0.59 5.20 3.38 -0.86 -0.90 115.31 122.96 1qk4 h LEU 59 Ca 0.09 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1qk4 h LEU 59 Cb 0.54 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1qk4 h LEU 59 CO 0.03 0.77 0.19 0.00 0.09 0.00 0.00 178.44 179.51 1qk4 h ALA 60 N 1.40 0.77 -0.60 1.53 0.00 -0.41 -0.91 119.26 121.04 1qk4 h ALA 60 Ca 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qk4 h ALA 60 Cb -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1qk4 h ALA 60 CO -0.05 0.43 0.36 -0.92 0.00 0.00 0.00 179.25 179.07 1qk4 h TYR 61 N 0.83 0.80 -0.54 0.00 3.20 -0.69 -0.16 116.97 120.41 1qk4 h TYR 61 Ca 0.19 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1qk4 h TYR 61 Cb 0.28 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 1qk4 h TYR 61 CO 0.02 0.55 0.32 -0.44 -1.64 0.00 0.00 178.16 176.96 1qk4 h ASP 62 N 0.81 0.50 -0.33 -2.11 3.32 -0.83 -1.65 116.42 116.14 1qk4 h ASP 62 Ca 0.22 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1qk4 h ASP 62 Cb -0.02 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1qk4 h ASP 62 CO -0.04 0.35 0.08 0.40 -1.72 0.00 0.00 179.24 178.31 1qk4 h ILE 63 N 0.62 1.22 -0.76 0.35 2.04 -0.94 -1.26 117.51 118.79 1qk4 h ILE 63 Ca 0.22 -0.75 0.13 0.00 1.00 0.00 0.00 64.86 65.46 1qk4 h ILE 63 Cb 0.04 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.12 1qk4 h ILE 63 CO -0.10 0.25 0.34 -0.74 0.00 0.00 0.00 178.15 177.90 1qk4 h HIS 64 N 0.37 0.60 -0.08 1.37 2.76 -0.73 -0.29 115.15 119.15 1qk4 h HIS 64 Ca 0.10 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1qk4 h HIS 64 Cb 0.30 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 1qk4 h HIS 64 CO 0.02 0.13 -0.05 0.00 -1.30 0.00 0.00 177.93 176.73 1qk4 h ARG 65 N 0.52 0.17 -0.76 5.26 3.08 -1.06 -2.54 114.38 119.05 1qk4 h ARG 65 Ca 0.40 -0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.47 1qk4 h ARG 65 Cb 0.56 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 1qk4 h ARG 65 CO -0.36 0.57 0.41 1.15 -1.07 0.00 0.00 179.97 180.67 1qk4 h THR 66 N -0.23 0.87 -0.60 2.04 2.02 -0.67 -2.71 112.91 113.63 1qk4 h THR 66 Ca 0.02 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1qk4 h THR 66 Cb 0.53 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1qk4 h THR 66 CO 0.01 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.81 1qk4 n TYR 67 N -4.81 1.22 -1.68 3.16 4.02 -0.17 -1.96 117.16 116.93 1qk4 n TYR 67 Ca 0.12 -0.59 -0.48 0.00 -0.01 0.00 0.00 57.90 56.94 1qk4 n TYR 67 Cb 0.28 -0.17 -0.05 0.00 -0.02 0.00 0.00 39.34 39.38 1qk4 n TYR 67 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1qk4 n PHE 68 N 1.04 2.29 0.00 -0.72 7.35 -0.96 -0.82 117.46 125.64 1qk4 n PHE 68 Ca 0.23 0.11 0.00 0.00 -0.76 0.00 0.00 57.45 57.04 1qk4 n PHE 68 Cb 0.78 -2.61 0.00 0.00 0.35 0.00 0.00 39.48 38.00 1qk4 n PHE 68 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qk4 n GLY 69 N 4.01 3.20 3.95 7.13 0.00 -1.26 -4.93 105.19 117.30 1qk4 n GLY 69 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1qk4 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qk4 s GLU 70 N -0.49 3.09 -0.20 1.61 8.01 -0.00 -5.02 118.70 125.70 1qk4 s GLU 70 Ca 0.00 -1.02 -0.29 0.00 0.01 0.00 0.00 54.97 53.67 1qk4 s GLU 70 Cb 0.00 -2.76 0.00 0.00 -4.31 0.00 0.00 34.13 27.07 1qk4 s GLU 70 CO 0.00 0.15 1.07 -2.00 0.01 0.00 0.00 175.26 174.49 1qk4 s GLU 71 N -4.09 4.28 -0.22 1.61 2.12 -1.26 -4.99 118.70 116.15 1qk4 s GLU 71 Ca 0.42 1.41 -0.04 0.00 0.36 0.00 0.00 54.97 57.11 1qk4 s GLU 71 Cb -0.09 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 1qk4 s GLU 71 CO 0.30 -0.60 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.21 1qk4 s LEU 72 N 3.08 2.97 -0.36 2.70 2.96 -1.26 -4.21 118.68 124.55 1qk4 s LEU 72 Ca 0.46 -0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 53.89 1qk4 s LEU 72 Cb -0.16 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1qk4 s LEU 72 CO 0.09 -0.00 0.24 -1.00 -1.32 0.00 0.00 176.35 174.35 1qk4 s HIS 73 N 1.37 3.23 -0.11 5.38 3.76 -0.65 -0.00 115.29 128.27 1qk4 s HIS 73 Ca 0.04 -0.50 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 1qk4 s HIS 73 Cb -0.14 -2.48 -0.02 0.00 1.11 0.00 0.00 32.58 31.05 1qk4 s HIS 73 CO -0.02 -0.49 -0.14 -1.50 -0.85 0.00 0.00 174.74 171.74 1qk4 s ILE 74 N 1.66 2.98 -0.18 0.60 2.07 -0.43 -0.65 121.20 127.26 1qk4 s ILE 74 Ca 0.05 -0.70 -0.04 0.00 -1.41 0.00 0.00 60.65 58.55 1qk4 s ILE 74 Cb -0.18 -2.23 -0.02 0.00 0.13 0.00 0.00 42.46 40.15 1qk4 s ILE 74 CO 0.09 0.54 -0.02 -0.63 -1.91 0.00 0.00 174.94 173.01 1qk4 s ILE 75 N 0.15 3.89 -0.24 2.00 1.01 -0.24 -1.46 121.20 126.30 1qk4 s ILE 75 Ca -0.07 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1qk4 s ILE 75 Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1qk4 s ILE 75 CO 0.05 0.46 0.41 0.00 0.00 0.00 0.00 174.94 175.85 1qk4 s ILE 77 N 1.84 4.61 0.39 0.00 -1.09 -0.96 -1.28 121.20 124.72 1qk4 s ILE 77 Ca 0.17 0.37 -0.23 0.00 -2.23 0.00 0.00 60.65 58.73 1qk4 s ILE 77 Cb -0.15 -4.36 -0.10 0.00 -1.58 0.00 0.00 42.46 36.27 1qk4 s ILE 77 CO 0.09 -0.79 0.97 -0.76 -1.23 0.00 0.00 174.94 173.22 1qk4 s LEU 78 N 3.38 4.11 -0.15 2.97 1.43 0.71 -2.10 118.68 129.03 1qk4 s LEU 78 Ca 0.29 1.83 0.16 0.00 -1.03 0.00 0.00 54.13 55.38 1qk4 s LEU 78 Cb -0.12 -4.29 -0.24 0.00 0.03 0.00 0.00 46.19 41.56 1qk4 s LEU 78 CO 0.22 -0.32 0.26 0.29 0.23 0.00 0.00 176.35 177.03 1qk4 n LYS 79 N -0.14 0.67 -0.17 1.70 5.02 -1.26 -3.29 118.16 120.69 1qk4 n LYS 79 Ca 0.05 0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.56 1qk4 n LYS 79 Cb 0.52 -1.61 0.45 0.00 -0.02 0.00 0.00 35.03 34.36 1qk4 n LYS 79 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1qk4 h GLY 80 N 3.80 0.82 0.15 0.72 0.00 -1.83 -2.30 103.07 104.42 1qk4 h GLY 80 Ca -0.46 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1qk4 h GLY 80 CO 0.05 0.11 0.00 -1.14 0.00 0.00 0.00 176.54 175.55 1qk4 n SER 81 N -4.49 0.60 -0.18 0.19 3.41 -0.89 -4.37 113.62 107.89 1qk4 n SER 81 Ca 0.13 -1.46 -0.06 0.00 -0.26 0.00 0.00 58.87 57.22 1qk4 n SER 81 Cb 0.42 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 1qk4 n SER 81 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1qk4 h ARG 82 N 0.82 -0.19 -0.17 4.33 1.12 -1.62 0.85 114.38 119.51 1qk4 h ARG 82 Ca 0.00 0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 58.70 1qk4 h ARG 82 Cb 0.18 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.18 1qk4 h ARG 82 CO 0.00 -0.13 -0.63 0.78 -3.11 0.00 0.00 179.97 176.88 1qk4 h GLY 83 N -0.20 0.67 0.89 2.80 0.00 -1.85 -1.48 103.07 103.90 1qk4 h GLY 83 Ca 0.21 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1qk4 h GLY 83 CO -0.64 0.75 0.02 -2.75 0.00 0.00 0.00 176.54 173.93 1qk4 h PHE 84 N 0.45 0.07 -0.49 5.60 3.57 -1.74 -1.89 116.94 122.50 1qk4 h PHE 84 Ca -0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1qk4 h PHE 84 Cb 1.21 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1qk4 h PHE 84 CO 0.06 0.16 0.33 0.35 -2.23 0.00 0.00 178.31 176.97 1qk4 h PHE 85 N -0.05 0.62 -0.89 0.41 3.57 -0.86 0.83 116.94 120.58 1qk4 h PHE 85 Ca 0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1qk4 h PHE 85 Cb 0.12 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1qk4 h PHE 85 CO -0.03 0.39 0.47 -0.91 -2.23 0.00 0.00 178.31 175.99 1qk4 h ASN 86 N 0.66 1.13 -0.09 0.41 2.35 -1.09 -1.38 115.58 117.58 1qk4 h ASN 86 Ca 0.18 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1qk4 h ASN 86 Cb -0.08 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.00 1qk4 h ASN 86 CO -0.04 0.92 0.01 -0.07 -1.65 0.00 0.00 177.43 176.60 1qk4 h LEU 87 N 1.25 0.15 -0.13 1.61 3.38 -1.11 -2.64 115.31 117.82 1qk4 h LEU 87 Ca 0.31 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1qk4 h LEU 87 Cb 0.06 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1qk4 h LEU 87 CO -0.05 0.38 -0.41 -0.07 0.09 0.00 0.00 178.44 178.38 1qk4 h LEU 88 N -0.09 -1.29 -1.43 1.67 3.38 -0.43 -1.44 115.31 115.69 1qk4 h LEU 88 Ca 0.03 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1qk4 h LEU 88 Cb 0.30 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1qk4 h LEU 88 CO 0.00 -0.42 -0.29 0.16 0.09 0.00 0.00 178.44 177.98 1qk4 h ILE 89 N -0.48 1.19 0.32 1.22 3.07 -1.26 0.81 117.51 122.37 1qk4 h ILE 89 Ca 0.08 -0.99 -0.02 0.00 1.55 0.00 0.00 64.86 65.48 1qk4 h ILE 89 Cb 0.62 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1qk4 h ILE 89 CO -0.39 0.28 -0.15 -0.78 -1.05 0.00 0.00 178.15 176.05 1qk4 h ASP 90 N 0.00 -0.37 -0.22 2.16 1.82 -1.15 -1.47 116.42 117.20 1qk4 h ASP 90 Ca -0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1qk4 h ASP 90 Cb 0.51 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1qk4 h ASP 90 CO 0.04 -0.19 0.14 1.88 -1.61 0.00 0.00 179.24 179.50 1qk4 h TYR 91 N -0.51 0.28 -0.85 0.28 0.99 -0.93 0.10 116.97 116.33 1qk4 h TYR 91 Ca -0.04 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.75 1qk4 h TYR 91 Cb 0.38 -0.09 -0.06 0.00 1.00 0.00 0.00 36.73 37.96 1qk4 h TYR 91 CO -0.03 0.18 0.52 -0.07 -0.00 0.00 0.00 178.16 178.75 1qk4 h LEU 92 N 0.30 0.82 -0.49 3.88 3.38 -0.63 0.33 115.31 122.89 1qk4 h LEU 92 Ca 0.08 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1qk4 h LEU 92 Cb -0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1qk4 h LEU 92 CO -0.02 0.52 -0.09 0.00 0.09 0.00 0.00 178.44 178.95 1qk4 h ALA 93 N 1.40 0.67 -0.32 1.53 0.00 -0.95 -1.19 119.26 120.40 1qk4 h ALA 93 Ca 0.37 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1qk4 h ALA 93 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qk4 h ALA 93 CO -0.18 0.56 -0.16 1.15 0.00 0.00 0.00 179.25 180.62 1qk4 h THR 94 N 0.78 1.29 -0.20 0.00 2.02 -0.35 -0.53 112.91 115.92 1qk4 h THR 94 Ca 0.13 -1.27 0.04 0.00 0.77 0.00 0.00 66.41 66.08 1qk4 h THR 94 Cb 0.63 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1qk4 h THR 94 CO 0.04 0.41 -0.08 0.40 0.37 0.00 0.00 175.52 176.66 1qk4 h ILE 95 N 0.44 0.73 -0.60 3.11 2.04 -0.28 -1.54 117.51 121.42 1qk4 h ILE 95 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1qk4 h ILE 95 Cb 0.69 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1qk4 h ILE 95 CO 0.05 0.00 0.30 -0.61 0.00 0.00 0.00 178.15 177.89 1qk4 h GLN 96 N -0.04 0.85 -0.88 2.37 4.15 -1.07 -1.16 115.11 119.32 1qk4 h GLN 96 Ca 0.11 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1qk4 h GLN 96 Cb 0.20 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 1qk4 h GLN 96 CO -0.24 0.67 0.58 -0.22 -1.93 0.00 0.00 178.83 177.69 1qk4 h LYS 97 N 0.81 0.99 -0.01 1.69 3.64 -0.70 -2.53 116.57 120.46 1qk4 h LYS 97 Ca 0.21 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1qk4 h LYS 97 Cb 0.09 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1qk4 h LYS 97 CO -0.03 0.65 -0.29 0.66 -2.27 0.00 0.00 179.45 178.18 1qk4 n TYR 98 N -4.48 0.00 -1.29 1.91 0.53 -0.61 -4.99 117.16 108.23 1qk4 n TYR 98 Ca 0.13 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.68 1qk4 n TYR 98 Cb 0.18 -0.06 0.10 0.00 -1.03 0.00 0.00 39.34 38.54 1qk4 n TYR 98 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 1qk4 s SER 99 N -2.40 4.08 0.29 7.72 0.01 -0.47 -4.92 113.70 118.00 1qk4 s SER 99 Ca 0.24 2.20 -0.01 0.00 1.31 0.00 0.00 55.95 59.70 1qk4 s SER 99 Cb 0.19 -2.57 0.43 0.00 0.21 0.00 0.00 66.02 64.28 1qk4 s SER 99 CO 0.50 -2.33 1.84 1.23 0.41 0.00 0.00 173.24 174.89 1qk4 h GLY 100 N -0.70 0.87 -2.07 3.44 0.00 -1.90 -3.44 103.07 99.26 1qk4 h GLY 100 Ca -0.46 -0.49 -0.51 0.00 0.00 0.00 0.00 47.33 45.87 1qk4 h GLY 100 CO 0.49 0.46 -1.35 0.54 0.00 0.00 0.00 176.54 176.67 1qk4 n ARG 101 N -4.29 -0.53 -2.97 4.80 5.12 -1.26 -4.99 116.66 112.55 1qk4 n ARG 101 Ca 0.04 -0.13 -0.15 0.00 -1.93 0.00 0.00 57.85 55.68 1qk4 n ARG 101 Cb 0.21 -1.48 -0.01 0.00 -1.16 0.00 0.00 32.46 30.03 1qk4 n ARG 101 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1qk4 n GLU 102 N -0.17 1.10 -1.57 5.56 1.02 -1.26 -5.05 120.64 120.27 1qk4 n GLU 102 Ca 0.02 -3.36 -0.35 0.00 -0.02 0.00 0.00 57.16 53.44 1qk4 n GLU 102 Cb 0.60 -1.54 0.08 0.00 -0.02 0.00 0.00 31.44 30.57 1qk4 n GLU 102 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1qk4 s SER 103 N -2.74 4.37 0.00 1.62 0.15 -1.26 -4.94 113.70 110.91 1qk4 s SER 103 Ca 0.35 2.47 0.15 0.00 0.70 0.00 0.00 55.95 59.62 1qk4 s SER 103 Cb 0.39 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.97 1qk4 s SER 103 CO -0.03 -2.15 0.65 -1.54 1.20 0.00 0.00 173.24 171.37 1qk4 n SER 104 N -2.35 0.83 -4.79 5.45 3.41 -1.26 -4.94 113.62 109.96 1qk4 n SER 104 Ca 0.14 -0.91 -0.39 0.00 -0.26 0.00 0.00 58.87 57.45 1qk4 n SER 104 Cb 0.49 0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 65.30 1qk4 n SER 104 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qk4 s VAL 105 N -2.28 4.72 0.84 -3.33 1.01 -1.26 -5.06 120.40 115.04 1qk4 s VAL 105 Ca 0.07 1.32 -0.11 0.00 0.00 0.00 0.00 61.98 63.25 1qk4 s VAL 105 Cb 0.11 -3.95 0.10 0.00 0.00 0.00 0.00 36.38 32.64 1qk4 s VAL 105 CO 0.56 0.51 1.15 -2.84 0.00 0.00 0.00 175.10 174.48 1qk4 s PRO 106 N -0.84 1.56 0.51 2.72 0.02 -1.26 -4.92 135.00 132.79 1qk4 s PRO 106 Ca 0.31 1.52 0.26 0.00 0.02 0.00 0.00 61.00 63.12 1qk4 s PRO 106 Cb -0.20 -1.79 1.36 0.00 0.02 0.00 0.00 34.50 33.89 1qk4 s PRO 106 CO 0.20 -2.22 2.04 -1.00 -0.33 0.00 0.00 177.00 175.68 1qk4 h PRO 107 N -1.31 0.00 -2.22 5.54 0.13 -1.96 -3.45 132.00 128.73 1qk4 h PRO 107 Ca -0.44 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.88 1qk4 h PRO 107 Cb 1.27 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.30 1qk4 h PRO 107 CO 0.46 0.14 0.53 -0.59 -0.23 0.00 0.00 178.00 178.30 1qk4 s PHE 108 N -4.14 -0.14 -0.14 1.56 -0.12 -1.26 -4.74 117.98 109.00 1qk4 s PHE 108 Ca -0.02 -0.13 0.02 0.00 -0.05 0.00 0.00 56.93 56.75 1qk4 s PHE 108 Cb 0.13 0.62 0.01 0.00 -0.63 0.00 0.00 43.02 43.15 1qk4 s PHE 108 CO 0.60 -0.73 -0.20 -0.06 -0.05 0.00 0.00 175.22 174.77 1qk4 s PHE 109 N -3.16 2.53 0.15 3.49 0.40 1.00 -4.94 117.98 117.45 1qk4 s PHE 109 Ca 0.12 -1.30 -0.12 0.00 -0.60 0.00 0.00 56.93 55.03 1qk4 s PHE 109 Cb -0.01 -1.75 -0.07 0.00 0.51 0.00 0.00 43.02 41.71 1qk4 s PHE 109 CO 0.00 -0.61 0.51 -1.83 0.70 0.00 0.00 175.22 173.99 1qk4 s GLU 110 N 0.93 3.87 0.01 0.44 -1.05 -1.26 -1.32 118.70 120.32 1qk4 s GLU 110 Ca -0.05 0.34 -0.15 0.00 -0.15 0.00 0.00 54.97 54.96 1qk4 s GLU 110 Cb -0.15 -2.87 0.02 0.00 -0.44 0.00 0.00 34.13 30.69 1qk4 s GLU 110 CO -0.04 0.45 0.31 -1.01 0.95 0.00 0.00 175.26 175.93 1qk4 s HIS 111 N -1.55 -0.16 -0.02 4.83 3.76 -0.54 -4.92 115.29 116.70 1qk4 s HIS 111 Ca 0.39 0.17 0.04 0.00 -0.15 0.00 0.00 55.06 55.51 1qk4 s HIS 111 Cb -0.14 0.10 -0.01 0.00 1.11 0.00 0.00 32.58 33.65 1qk4 s HIS 111 CO 0.20 -0.44 -0.15 0.71 -0.85 0.00 0.00 174.74 174.21 1qk4 s TYR 112 N -1.80 1.39 -0.02 1.40 1.51 -1.26 -0.19 117.35 118.38 1qk4 s TYR 112 Ca -0.10 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1qk4 s TYR 112 Cb -0.03 -0.92 0.02 0.00 -0.11 0.00 0.00 41.96 40.91 1qk4 s TYR 112 CO 0.01 -0.08 0.01 0.08 -1.11 0.00 0.00 175.55 174.46 1qk4 s VAL 113 N -0.12 0.05 -0.18 0.71 1.01 -0.40 -4.61 120.40 116.85 1qk4 s VAL 113 Ca 0.01 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1qk4 s VAL 113 Cb -0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1qk4 s VAL 113 CO 0.00 0.08 0.28 -0.60 0.00 0.00 0.00 175.10 174.86 1qk4 s ARG 114 N 0.67 4.22 0.06 2.72 6.06 -0.38 -0.21 118.95 132.09 1qk4 s ARG 114 Ca -0.06 0.04 0.06 0.00 -2.50 0.00 0.00 55.73 53.27 1qk4 s ARG 114 Cb -0.09 -3.46 -0.04 0.00 0.06 0.00 0.00 34.95 31.43 1qk4 s ARG 114 CO -0.02 0.18 -0.12 -0.51 -2.50 0.00 0.00 175.30 172.33 1qk4 s LEU 115 N 0.67 2.91 -0.15 -0.88 1.43 -1.21 -0.61 118.68 120.85 1qk4 s LEU 115 Ca 0.15 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1qk4 s LEU 115 Cb -0.13 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.43 1qk4 s LEU 115 CO 0.04 0.23 0.01 -0.54 0.23 0.00 0.00 176.35 176.32 1qk4 s LYS 116 N -1.74 0.80 -0.12 1.70 1.02 -0.44 -4.80 119.74 116.16 1qk4 s LYS 116 Ca 0.18 -0.28 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 1qk4 s LYS 116 Cb -0.11 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1qk4 s LYS 116 CO 0.09 -0.49 0.04 -1.12 -0.92 0.00 0.00 175.35 172.94 1qk4 s SER 117 N 1.85 5.49 -0.30 2.83 0.01 -1.26 -0.13 113.70 122.19 1qk4 s SER 117 Ca 0.01 0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.44 1qk4 s SER 117 Cb -0.15 -1.72 0.09 0.00 0.21 0.00 0.00 66.02 64.45 1qk4 s SER 117 CO -0.07 0.32 0.05 -0.31 0.41 0.00 0.00 173.24 173.64 1qk4 s TYR 118 N -0.52 2.31 -0.45 2.43 1.51 0.67 -5.00 117.35 118.31 1qk4 s TYR 118 Ca 0.10 -2.00 -0.16 0.00 -1.01 0.00 0.00 57.07 53.99 1qk4 s TYR 118 Cb -0.12 -1.95 0.05 0.00 -0.11 0.00 0.00 41.96 39.83 1qk4 s TYR 118 CO 0.02 -0.86 0.41 -0.65 -1.11 0.00 0.00 175.55 173.36 1qk4 s GLN 119 N 1.41 3.02 0.00 -0.62 -0.21 -1.26 -0.13 119.66 121.87 1qk4 s GLN 119 Ca 0.06 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1qk4 s GLN 119 Cb -0.18 -4.05 0.00 0.00 1.00 0.00 0.00 33.01 29.78 1qk4 s GLN 119 CO -0.16 -0.95 0.00 0.41 -2.12 0.00 0.00 175.29 172.47 1qk4 n GLY 125 N 5.17 -1.24 3.13 3.09 0.00 -1.26 -5.25 105.19 108.82 1qk4 n GLY 125 Ca -0.10 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 1qk4 n GLY 125 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qk4 s GLN 126 N -0.56 0.60 -0.14 1.61 -2.07 0.81 -5.14 119.66 114.77 1qk4 s GLN 126 Ca 0.00 -0.72 -0.02 0.00 -1.82 0.00 0.00 55.36 52.80 1qk4 s GLN 126 Cb 0.00 0.24 0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1qk4 s GLN 126 CO 0.00 -0.15 0.01 -1.17 -1.32 0.00 0.00 175.29 172.66 1qk4 s LEU 127 N -2.09 1.01 -0.11 2.60 2.96 -1.26 -0.24 118.68 121.56 1qk4 s LEU 127 Ca -0.05 -0.52 -0.19 0.00 -0.22 0.00 0.00 54.13 53.15 1qk4 s LEU 127 Cb -0.01 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 1qk4 s LEU 127 CO -0.04 -0.25 0.50 -0.89 -1.32 0.00 0.00 176.35 174.35 1qk4 s THR 128 N 1.87 5.17 -0.29 3.68 2.01 0.81 -4.93 115.64 123.96 1qk4 s THR 128 Ca 0.02 1.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.97 1qk4 s THR 128 Cb -0.15 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.54 1qk4 s THR 128 CO -0.07 0.32 0.04 -0.69 -0.69 0.00 0.00 174.62 173.53 1qk4 s VAL 129 N 0.62 3.54 -0.40 3.82 1.01 -1.26 -1.33 120.40 126.39 1qk4 s VAL 129 Ca 0.27 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1qk4 s VAL 129 Cb -0.15 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.40 1qk4 s VAL 129 CO 0.11 0.04 0.25 -0.76 0.00 0.00 0.00 175.10 174.74 1qk4 s LEU 130 N 1.41 5.00 0.30 3.92 1.43 0.22 -5.00 118.68 125.97 1qk4 s LEU 130 Ca 0.00 -1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 51.64 1qk4 s LEU 130 Cb -0.18 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.06 1qk4 s LEU 130 CO 0.00 -0.48 0.80 -0.94 0.23 0.00 0.00 176.35 175.96 1qk4 s SER 131 N 1.91 -0.13 0.78 2.29 1.04 -1.26 -1.25 113.70 117.09 1qk4 s SER 131 Ca 0.02 -0.80 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 1qk4 s SER 131 Cb -0.21 0.74 0.06 0.00 0.10 0.00 0.00 66.02 66.70 1qk4 s SER 131 CO 0.05 -1.41 1.12 -1.81 0.98 0.00 0.00 173.24 172.17 1qk4 s ASP 132 N -3.01 4.69 -0.09 7.02 1.01 -1.26 -4.95 116.67 120.08 1qk4 s ASP 132 Ca 0.14 1.08 -0.39 0.00 0.71 0.00 0.00 52.55 54.09 1qk4 s ASP 132 Cb -0.05 -1.76 -0.17 0.00 1.01 0.00 0.00 42.92 41.95 1qk4 s ASP 132 CO 0.08 -1.82 1.46 -0.67 0.21 0.00 0.00 175.17 174.43 1qk4 n ASP 133 N -3.30 1.65 0.00 0.27 2.03 -1.26 -4.88 116.55 111.06 1qk4 n ASP 133 Ca 0.07 1.11 0.13 0.00 0.52 0.00 0.00 54.79 56.63 1qk4 n ASP 133 Cb 0.58 -1.12 0.59 0.00 -0.72 0.00 0.00 41.12 40.45 1qk4 n ASP 133 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1qk4 n LEU 134 N 3.44 0.00 0.00 -2.67 4.77 -1.26 -3.64 117.00 117.64 1qk4 n LEU 134 Ca 0.22 0.47 0.06 0.00 -0.03 0.00 0.00 56.01 56.74 1qk4 n LEU 134 Cb 0.14 -0.47 0.30 0.00 -2.33 0.00 0.00 43.42 41.05 1qk4 n LEU 134 CO 0.70 -0.04 0.69 -1.54 -1.33 0.00 0.00 177.39 175.87 1qk4 n SER 135 N -1.47 0.00 0.02 -1.43 3.41 -1.26 -1.65 113.62 111.24 1qk4 n SER 135 Ca 0.07 0.34 0.07 0.00 -0.26 0.00 0.00 58.87 59.09 1qk4 n SER 135 Cb 0.30 -0.41 0.30 0.00 -0.26 0.00 0.00 64.21 64.14 1qk4 n SER 135 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1qk4 n ILE 136 N -1.41 1.08 1.47 -1.33 -5.35 -1.24 -2.01 119.36 110.56 1qk4 n ILE 136 Ca 0.04 0.28 0.14 0.00 -0.27 0.00 0.00 62.75 62.94 1qk4 n ILE 136 Cb 0.13 -1.08 0.50 0.00 -1.74 0.00 0.00 39.64 37.46 1qk4 n ILE 136 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1qk4 n PHE 137 N -1.59 0.00 -1.64 4.28 3.01 -0.66 -4.84 117.46 116.02 1qk4 n PHE 137 Ca 0.03 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.02 1qk4 n PHE 137 Cb 0.16 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.59 1qk4 n PHE 137 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1qk4 n ARG 138 N 0.20 1.81 -2.08 -1.08 0.63 -0.85 -1.51 116.66 113.79 1qk4 n ARG 138 Ca 0.19 0.65 -0.17 0.00 -0.92 0.00 0.00 57.85 57.59 1qk4 n ARG 138 Cb 0.37 -2.32 -0.03 0.00 0.45 0.00 0.00 32.46 30.92 1qk4 n ARG 138 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1qk4 n ASP 139 N 2.60 -4.84 -4.70 6.15 2.03 0.13 -4.82 116.55 113.11 1qk4 n ASP 139 Ca 0.15 0.21 -0.23 0.00 0.52 0.00 0.00 54.79 55.43 1qk4 n ASP 139 Cb 0.28 -4.17 -0.06 0.00 -0.72 0.00 0.00 41.12 36.45 1qk4 n ASP 139 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1qk4 s LYS 140 N -4.45 2.48 -0.31 -0.67 -0.14 -0.57 -4.18 119.74 111.90 1qk4 s LYS 140 Ca 0.00 -1.28 -0.22 0.00 -1.36 0.00 0.00 55.97 53.11 1qk4 s LYS 140 Cb 0.00 -2.30 -0.00 0.00 -1.68 0.00 0.00 37.83 33.85 1qk4 s LYS 140 CO 0.00 0.39 0.73 -1.01 -0.76 0.00 0.00 175.35 174.70 1qk4 s HIS 141 N -2.19 3.20 -0.13 3.18 3.76 -1.26 -0.17 115.29 121.67 1qk4 s HIS 141 Ca 0.31 0.71 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 1qk4 s HIS 141 Cb -0.07 -3.15 -0.01 0.00 1.11 0.00 0.00 32.58 30.45 1qk4 s HIS 141 CO 0.21 -0.55 -0.14 0.08 -0.85 0.00 0.00 174.74 173.49 1qk4 s VAL 142 N 2.85 2.92 -0.21 -0.90 1.01 -0.18 -1.63 120.40 124.25 1qk4 s VAL 142 Ca 0.30 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1qk4 s VAL 142 Cb -0.14 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1qk4 s VAL 142 CO 0.13 0.53 -0.10 -0.22 0.00 0.00 0.00 175.10 175.43 1qk4 s LEU 143 N 0.41 2.68 -0.10 3.92 2.96 0.18 -0.98 118.68 127.76 1qk4 s LEU 143 Ca -0.11 -0.56 -0.20 0.00 -0.22 0.00 0.00 54.13 53.03 1qk4 s LEU 143 Cb -0.16 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1qk4 s LEU 143 CO 0.05 -0.03 0.57 -0.63 -1.32 0.00 0.00 176.35 175.00 1qk4 s ILE 144 N 1.39 5.13 -0.22 6.68 1.01 -0.14 -1.08 121.20 133.96 1qk4 s ILE 144 Ca 0.05 1.16 -0.05 0.00 0.00 0.00 0.00 60.65 61.80 1qk4 s ILE 144 Cb -0.14 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1qk4 s ILE 144 CO -0.07 0.29 0.01 -0.69 0.00 0.00 0.00 174.94 174.48 1qk4 s VAL 145 N 0.74 3.90 0.12 2.92 1.01 0.34 0.05 120.40 129.48 1qk4 s VAL 145 Ca 0.31 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1qk4 s VAL 145 Cb -0.16 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1qk4 s VAL 145 CO 0.13 0.40 -0.14 -0.70 0.00 0.00 0.00 175.10 174.80 1qk4 s GLU 146 N 1.34 1.02 -0.03 2.72 2.56 0.11 -2.27 118.70 124.16 1qk4 s GLU 146 Ca 0.04 -1.25 -0.22 0.00 0.00 0.00 0.00 54.97 53.54 1qk4 s GLU 146 Cb -0.15 -0.87 -0.23 0.00 2.00 0.00 0.00 34.13 34.88 1qk4 s GLU 146 CO 0.01 0.16 1.06 0.38 -0.56 0.00 0.00 175.26 176.32 1qk4 h ASP 147 N 3.46 0.35 -4.55 -1.70 -0.00 -1.86 -3.03 116.42 109.09 1qk4 h ASP 147 Ca -0.39 -0.76 -0.08 0.00 -0.00 0.00 0.00 57.03 55.80 1qk4 h ASP 147 Cb 1.20 -0.11 -0.21 0.00 -0.00 0.00 0.00 39.33 40.21 1qk4 h ASP 147 CO 0.52 1.06 0.02 -0.51 -0.00 0.00 0.00 179.24 180.33 1qk4 s ILE 148 N -3.19 0.01 -0.23 4.15 2.07 -1.26 -2.73 121.20 120.02 1qk4 s ILE 148 Ca -0.15 -0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 58.94 1qk4 s ILE 148 Cb 0.02 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 1qk4 s ILE 148 CO 0.77 -0.05 0.06 -0.69 -1.91 0.00 0.00 174.94 173.13 1qk4 s VAL 149 N -0.57 4.39 0.00 4.00 1.01 -0.75 -4.99 120.40 123.49 1qk4 s VAL 149 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1qk4 s VAL 149 Cb -0.03 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1qk4 s VAL 149 CO 0.05 0.38 0.00 -0.67 0.00 0.00 0.00 175.10 174.86 1qk4 n ASP 150 N 4.51 0.00 0.20 3.32 -0.08 -1.26 -1.56 116.55 121.68 1qk4 n ASP 150 Ca -0.16 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.19 1qk4 n ASP 150 Cb 0.52 0.00 0.38 0.00 2.34 0.00 0.00 41.12 44.36 1qk4 n ASP 150 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1qk4 h THR 151 N 0.00 0.78 0.00 5.18 1.35 -1.96 -3.41 112.91 114.86 1qk4 h THR 151 Ca 0.00 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1qk4 h THR 151 Cb 0.00 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1qk4 h THR 151 CO 0.00 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 1qk4 n GLY 152 N 0.17 0.79 0.10 5.82 0.00 -1.26 -1.75 105.19 109.06 1qk4 n GLY 152 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1qk4 n GLY 152 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qk4 h PHE 153 N 0.00 -0.14 -0.39 1.61 3.57 -1.96 -0.79 116.94 118.84 1qk4 h PHE 153 Ca 0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1qk4 h PHE 153 Cb 0.00 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 1qk4 h PHE 153 CO 0.00 0.15 0.03 1.15 -2.23 0.00 0.00 178.31 177.42 1qk4 h THR 154 N -0.43 0.75 0.00 4.41 2.02 -1.99 -1.13 112.91 116.53 1qk4 h THR 154 Ca -0.02 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 66.97 1qk4 h THR 154 Cb 0.35 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1qk4 h THR 154 CO 0.03 0.03 -0.71 -0.07 0.37 0.00 0.00 175.52 175.16 1qk4 h LEU 155 N 0.15 0.00 0.07 2.58 3.38 -1.97 -0.98 115.31 118.54 1qk4 h LEU 155 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1qk4 h LEU 155 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1qk4 h LEU 155 CO -0.29 0.71 -0.03 0.74 0.09 0.00 0.00 178.44 179.66 1qk4 h THR 156 N 0.00 1.04 -0.47 0.22 2.02 -0.96 0.37 112.91 115.12 1qk4 h THR 156 Ca -0.01 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 1qk4 h THR 156 Cb 1.27 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 1qk4 h THR 156 CO 0.09 0.09 -0.13 -0.33 0.37 0.00 0.00 175.52 175.61 1qk4 h GLU 157 N -0.25 0.87 -0.11 6.66 4.39 -1.17 -2.20 114.58 122.77 1qk4 h GLU 157 Ca -0.01 -0.31 -0.17 0.00 0.34 0.00 0.00 59.36 59.21 1qk4 h GLU 157 Cb 0.22 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1qk4 h GLU 157 CO 0.02 0.95 -0.66 0.35 -1.16 0.00 0.00 179.01 178.50 1qk4 h PHE 158 N 0.78 0.57 -0.74 4.33 3.57 -1.19 -2.55 116.94 121.70 1qk4 h PHE 158 Ca 0.12 -0.23 0.06 0.00 3.53 0.00 0.00 57.97 61.45 1qk4 h PHE 158 Cb 0.64 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1qk4 h PHE 158 CO 0.04 0.97 0.44 0.78 -2.23 0.00 0.00 178.31 178.30 1qk4 h GLY 159 N 1.23 1.09 1.22 2.40 0.00 -0.75 -1.05 103.07 107.20 1qk4 h GLY 159 Ca -0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 1qk4 h GLY 159 CO 0.11 0.21 0.06 0.83 0.00 0.00 0.00 176.54 177.76 1qk4 h GLU 160 N 0.80 0.95 0.00 4.80 4.39 -1.15 -0.75 114.58 123.63 1qk4 h GLU 160 Ca 0.32 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1qk4 h GLU 160 Cb 0.16 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1qk4 h GLU 160 CO -0.17 0.91 -0.36 0.00 -1.16 0.00 0.00 179.01 178.22 1qk4 h ARG 161 N 0.89 0.00 0.00 2.33 3.08 -0.93 -2.71 114.38 117.04 1qk4 h ARG 161 Ca 0.18 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 1qk4 h ARG 161 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1qk4 h ARG 161 CO 0.02 0.36 -0.96 1.25 -1.07 0.00 0.00 179.97 179.57 1qk4 h LEU 162 N 0.00 0.00 -1.42 3.04 5.85 -0.89 -3.24 115.31 118.65 1qk4 h LEU 162 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1qk4 h LEU 162 Cb 0.71 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1qk4 h LEU 162 CO 0.05 0.59 -0.29 0.11 -0.34 0.00 0.00 178.44 178.55 1qk4 h LYS 163 N 0.00 0.00 -0.07 1.25 1.57 -0.81 -2.53 116.57 115.98 1qk4 h LYS 163 Ca -0.08 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1qk4 h LYS 163 Cb 1.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.82 1qk4 h LYS 163 CO 0.06 0.29 0.09 0.00 -0.57 0.00 0.00 179.45 179.32 1qk4 h ALA 164 N 1.71 1.54 -0.01 3.86 0.00 -1.56 -1.65 119.26 123.15 1qk4 h ALA 164 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qk4 h ALA 164 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1qk4 h ALA 164 CO 0.04 -0.12 -0.28 1.33 0.00 0.00 0.00 179.25 180.22 1qk4 n VAL 165 N -3.67 0.00 -2.53 0.00 0.24 -0.95 -5.00 118.33 106.42 1qk4 n VAL 165 Ca -0.01 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1qk4 n VAL 165 Cb 0.18 0.53 0.04 0.00 -1.47 0.00 0.00 33.84 33.12 1qk4 n VAL 165 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qk4 n GLY 166 N 1.34 -0.33 3.76 7.63 0.00 -0.62 -3.86 105.19 113.11 1qk4 n GLY 166 Ca 0.12 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 1qk4 n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qk4 s PRO 167 N -3.80 2.62 0.13 1.61 0.04 -1.25 0.18 135.00 134.53 1qk4 s PRO 167 Ca 0.26 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 1qk4 s PRO 167 Cb -0.03 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1qk4 s PRO 167 CO 0.44 -1.39 1.48 -0.22 0.04 0.00 0.00 177.00 177.34 1qk4 h LYS 168 N -0.20 0.84 -3.20 4.56 3.64 -0.73 -3.41 116.57 118.07 1qk4 h LYS 168 Ca -0.46 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 58.46 1qk4 h LYS 168 Cb 1.25 -0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.93 1qk4 h LYS 168 CO 0.53 1.05 -0.02 -1.54 -2.27 0.00 0.00 179.45 177.19 1qk4 s SER 169 N -6.64 -0.31 -0.07 4.20 1.04 -0.92 -4.71 113.70 106.29 1qk4 s SER 169 Ca -0.12 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 1qk4 s SER 169 Cb 0.10 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.75 1qk4 s SER 169 CO 0.85 -0.82 0.12 -0.04 0.98 0.00 0.00 173.24 174.33 1qk4 s MET 170 N -3.42 -0.01 0.34 4.02 -1.94 -1.26 -1.01 119.30 116.03 1qk4 s MET 170 Ca 0.00 0.48 0.04 0.00 -1.71 0.00 0.00 55.69 54.51 1qk4 s MET 170 Cb 0.01 -0.36 -0.06 0.00 2.01 0.00 0.00 34.83 36.42 1qk4 s MET 170 CO -0.09 -0.31 0.05 1.03 -0.01 0.00 0.00 175.02 175.69 1qk4 s ARG 171 N 2.21 1.71 -0.07 2.03 0.52 -0.15 -4.68 118.95 120.52 1qk4 s ARG 171 Ca 0.03 -1.96 0.02 0.00 -0.52 0.00 0.00 55.73 53.31 1qk4 s ARG 171 Cb -0.12 -0.97 0.01 0.00 0.52 0.00 0.00 34.95 34.40 1qk4 s ARG 171 CO -0.05 -0.19 -0.13 0.42 0.02 0.00 0.00 175.30 175.38 1qk4 s ILE 172 N -3.21 1.21 -0.17 1.52 1.01 -1.26 -0.97 121.20 119.34 1qk4 s ILE 172 Ca 0.35 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 1qk4 s ILE 172 Cb 0.09 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1qk4 s ILE 172 CO 0.16 0.37 -0.06 0.00 0.00 0.00 0.00 174.94 175.41 1qk4 s ALA 173 N 0.71 2.87 0.00 9.38 0.00 0.11 -0.69 121.76 134.14 1qk4 s ALA 173 Ca -0.13 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1qk4 s ALA 173 Cb -0.16 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 1qk4 s ALA 173 CO 0.03 0.07 -0.06 -0.08 0.00 0.00 0.00 175.76 175.72 1qk4 s THR 174 N 0.63 0.46 0.13 0.00 -1.32 -0.22 -0.71 115.64 114.61 1qk4 s THR 174 Ca -0.04 -0.33 -0.13 0.00 -1.21 0.00 0.00 61.69 59.98 1qk4 s THR 174 Cb -0.15 -0.41 -0.04 0.00 -1.51 0.00 0.00 72.50 70.40 1qk4 s THR 174 CO 0.03 0.08 1.50 0.25 -2.21 0.00 0.00 174.62 174.27 1qk4 h LEU 175 N 5.85 0.83 -8.25 9.08 5.85 -1.40 -2.44 115.31 124.83 1qk4 h LEU 175 Ca -0.29 -0.40 -0.35 0.00 0.84 0.00 0.00 57.88 57.67 1qk4 h LEU 175 Cb 1.19 -0.23 -0.23 0.00 0.37 0.00 0.00 40.66 41.77 1qk4 h LEU 175 CO 0.49 1.04 -0.76 -0.69 -0.34 0.00 0.00 178.44 178.18 1qk4 s VAL 176 N -4.64 0.82 -0.03 1.05 1.01 -1.11 -0.42 120.40 117.09 1qk4 s VAL 176 Ca -0.12 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.84 1qk4 s VAL 176 Cb 0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1qk4 s VAL 176 CO 0.83 -0.22 -0.17 -1.83 0.00 0.00 0.00 175.10 173.72 1qk4 s GLU 177 N -1.43 1.56 0.23 2.72 -1.05 0.54 -1.81 118.70 119.47 1qk4 s GLU 177 Ca -0.04 -0.59 -0.15 0.00 -0.15 0.00 0.00 54.97 54.04 1qk4 s GLU 177 Cb -0.09 -1.42 -0.08 0.00 -0.44 0.00 0.00 34.13 32.10 1qk4 s GLU 177 CO 0.01 0.29 0.65 0.15 0.95 0.00 0.00 175.26 177.31 1qk4 s LYS 178 N -0.14 4.02 -0.68 -4.83 1.02 -0.60 -1.89 119.74 116.65 1qk4 s LYS 178 Ca 0.01 0.60 -0.21 0.00 0.02 0.00 0.00 55.97 56.39 1qk4 s LYS 178 Cb -0.09 -2.71 0.09 0.00 -0.52 0.00 0.00 37.83 34.59 1qk4 s LYS 178 CO 0.01 0.33 0.93 1.03 -0.92 0.00 0.00 175.35 176.73 1qk4 s ARG 179 N -2.43 3.16 0.25 1.68 0.52 0.72 -4.91 118.95 117.94 1qk4 s ARG 179 Ca 0.46 -1.06 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 1qk4 s ARG 179 Cb -0.13 -4.32 -0.05 0.00 0.52 0.00 0.00 34.95 30.96 1qk4 s ARG 179 CO 0.19 -1.75 0.07 -0.08 0.02 0.00 0.00 175.30 173.75 1qk4 s THR 180 N 3.59 0.68 -0.05 0.02 -1.32 -1.26 -3.40 115.64 113.91 1qk4 s THR 180 Ca 0.21 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.75 1qk4 s THR 180 Cb -0.17 -2.58 -0.24 0.00 -1.51 0.00 0.00 72.50 68.00 1qk4 s THR 180 CO 0.07 -0.08 0.65 0.44 -2.21 0.00 0.00 174.62 173.49 1qk4 h ASP 181 N 2.39 0.15 0.57 8.08 3.32 -1.97 -3.37 116.42 125.60 1qk4 h ASP 181 Ca -0.38 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1qk4 h ASP 181 Cb 1.24 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1qk4 h ASP 181 CO 0.62 1.26 0.00 0.54 -1.72 0.00 0.00 179.24 179.94 1qk4 n ARG 182 N -3.22 0.08 -2.13 3.56 1.74 -1.26 -4.87 116.66 110.56 1qk4 n ARG 182 Ca -0.19 0.15 -0.40 0.00 -0.77 0.00 0.00 57.85 56.63 1qk4 n ARG 182 Cb 1.04 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.96 1qk4 n ARG 182 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1qk4 s SER 183 N -2.87 6.69 0.00 0.55 0.15 -1.26 -4.72 113.70 112.24 1qk4 s SER 183 Ca 0.12 2.64 0.26 0.00 0.70 0.00 0.00 55.95 59.67 1qk4 s SER 183 Cb 0.13 -2.64 1.18 0.00 -1.71 0.00 0.00 66.02 62.98 1qk4 s SER 183 CO 0.33 -0.58 1.81 -0.46 1.20 0.00 0.00 173.24 175.54 1qk4 n ASN 184 N 0.64 1.01 0.00 5.45 6.94 -0.72 -4.90 115.26 123.69 1qk4 n ASN 184 Ca 0.01 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.14 1qk4 n ASN 184 Cb 0.43 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 1qk4 n ASN 184 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1qk4 n SER 185 N -0.18 0.00 -4.76 0.53 7.64 -1.26 -5.05 113.62 110.53 1qk4 n SER 185 Ca 0.19 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.66 1qk4 n SER 185 Cb 0.26 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 1qk4 n SER 185 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1qk4 s LEU 186 N 0.00 4.42 0.05 -3.43 0.20 -1.26 -4.89 118.68 113.76 1qk4 s LEU 186 Ca 0.00 2.66 -0.00 0.00 0.69 0.00 0.00 54.13 57.48 1qk4 s LEU 186 Cb 0.00 -3.64 -0.03 0.00 -0.43 0.00 0.00 46.19 42.09 1qk4 s LEU 186 CO 0.00 -0.57 -0.04 -1.59 -0.29 0.00 0.00 176.35 173.86 1qk4 s LYS 187 N -1.39 0.56 0.47 1.98 -2.85 -0.64 -4.84 119.74 113.04 1qk4 s LYS 187 Ca 0.51 -1.04 -0.00 0.00 -1.00 0.00 0.00 55.97 54.45 1qk4 s LYS 187 Cb -0.40 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.45 1qk4 s LYS 187 CO 0.50 -0.07 0.70 0.20 0.10 0.00 0.00 175.35 176.78 1qk4 s GLY 188 N -2.44 1.60 -0.05 0.59 0.00 -1.26 -3.67 107.32 102.09 1qk4 s GLY 188 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.70 1qk4 s GLY 188 CO -0.06 -0.87 0.64 -0.55 0.00 0.00 0.00 173.10 172.26 1qk4 h ASP 189 N 0.31 0.19 -3.53 1.64 3.32 -1.27 -3.40 116.42 113.68 1qk4 h ASP 189 Ca -0.46 -0.37 -0.63 0.00 0.02 0.00 0.00 57.03 55.59 1qk4 h ASP 189 Cb 1.26 -0.06 -0.40 0.00 0.22 0.00 0.00 39.33 40.35 1qk4 h ASP 189 CO 0.57 1.33 -0.73 -0.36 -1.72 0.00 0.00 179.24 178.33 1qk4 s PHE 190 N -2.59 3.06 -0.09 4.55 0.40 -0.25 -4.39 117.98 118.67 1qk4 s PHE 190 Ca -0.10 -2.60 0.04 0.00 -0.60 0.00 0.00 56.93 53.67 1qk4 s PHE 190 Cb 0.07 -2.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 1qk4 s PHE 190 CO 0.81 -0.92 -0.23 0.08 0.70 0.00 0.00 175.22 175.67 1qk4 s VAL 191 N 1.09 2.19 -0.05 -0.44 1.01 -1.26 -1.06 120.40 121.89 1qk4 s VAL 191 Ca 0.11 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1qk4 s VAL 191 Cb -0.19 -1.83 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 1qk4 s VAL 191 CO -0.13 0.56 0.51 1.23 0.00 0.00 0.00 175.10 177.27 1qk4 h GLY 192 N 6.50 -0.46 -4.61 4.51 0.00 -0.86 -3.39 103.07 104.77 1qk4 h GLY 192 Ca -0.24 0.17 -0.37 0.00 0.00 0.00 0.00 47.33 46.89 1qk4 h GLY 192 CO 0.48 -0.17 -0.76 -1.36 0.00 0.00 0.00 176.54 174.73 1qk4 s PHE 193 N -2.97 1.02 -0.27 5.60 0.40 0.44 -1.24 117.98 120.96 1qk4 s PHE 193 Ca -0.06 -0.46 -0.07 0.00 -0.60 0.00 0.00 56.93 55.74 1qk4 s PHE 193 Cb 0.01 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.94 1qk4 s PHE 193 CO 0.19 0.01 0.06 0.45 0.70 0.00 0.00 175.22 176.63 1qk4 s SER 194 N -1.61 5.00 0.34 1.36 0.15 0.11 -0.34 113.70 118.71 1qk4 s SER 194 Ca -0.04 -0.49 0.09 0.00 0.70 0.00 0.00 55.95 56.20 1qk4 s SER 194 Cb -0.10 -1.87 -0.06 0.00 -1.71 0.00 0.00 66.02 62.28 1qk4 s SER 194 CO 0.02 -0.11 -0.09 0.27 1.20 0.00 0.00 173.24 174.52 1qk4 s ILE 195 N 1.53 2.15 0.93 6.45 -4.36 -0.79 -1.32 121.20 125.80 1qk4 s ILE 195 Ca 0.04 -2.19 -0.12 0.00 -0.26 0.00 0.00 60.65 58.12 1qk4 s ILE 195 Cb -0.16 -2.62 0.15 0.00 1.25 0.00 0.00 42.46 41.08 1qk4 s ILE 195 CO 0.02 -0.21 1.10 -1.83 0.24 0.00 0.00 174.94 174.25 1qk4 s GLU 196 N -3.63 0.95 -1.15 0.37 -1.05 -1.26 -0.20 118.70 112.74 1qk4 s GLU 196 Ca 0.32 0.57 -0.21 0.00 -0.15 0.00 0.00 54.97 55.50 1qk4 s GLU 196 Cb 0.03 -1.79 0.03 0.00 -0.44 0.00 0.00 34.13 31.95 1qk4 s GLU 196 CO 0.16 -2.39 1.70 0.34 0.95 0.00 0.00 175.26 176.02 1qk4 s ASP 197 N -3.59 6.26 0.12 0.83 2.15 -1.22 -4.54 116.67 116.68 1qk4 s ASP 197 Ca 0.64 -1.82 0.03 0.00 0.43 0.00 0.00 52.55 51.83 1qk4 s ASP 197 Cb -0.17 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 1qk4 s ASP 197 CO 0.56 -1.75 -0.08 0.68 -0.17 0.00 0.00 175.17 174.41 1qk4 s VAL 198 N 6.18 0.89 0.02 1.11 -7.23 -1.26 -5.07 120.40 115.04 1qk4 s VAL 198 Ca 0.56 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 58.50 1qk4 s VAL 198 Cb 0.01 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 1qk4 s VAL 198 CO 0.02 -0.80 0.73 0.86 -0.31 0.00 0.00 175.10 175.60 1qk4 s TRP 199 N -3.50 3.70 0.17 2.82 -0.11 -1.26 -5.03 118.94 115.73 1qk4 s TRP 199 Ca 0.14 1.39 0.11 0.00 1.22 0.00 0.00 56.10 58.96 1qk4 s TRP 199 Cb 0.04 -2.78 -0.04 0.00 -1.50 0.00 0.00 33.47 29.19 1qk4 s TRP 199 CO -0.02 0.26 -0.22 0.96 -4.62 0.00 0.00 176.95 173.30 1qk4 s ILE 200 N 0.07 2.48 0.05 5.86 -4.36 -1.26 -1.42 121.20 122.61 1qk4 s ILE 200 Ca 0.37 -1.89 -0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1qk4 s ILE 200 Cb -0.20 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 1qk4 s ILE 200 CO 0.21 -0.06 -0.03 0.68 0.24 0.00 0.00 174.94 175.98 1qk4 s VAL 201 N -1.51 0.25 0.00 8.37 -7.23 -0.30 -4.43 120.40 115.56 1qk4 s VAL 201 Ca 0.20 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1qk4 s VAL 201 Cb -0.09 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.42 1qk4 s VAL 201 CO 0.10 -0.95 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 1qk4 n GLY 202 N 0.22 1.90 3.85 2.32 0.00 -0.30 0.06 105.19 113.24 1qk4 n GLY 202 Ca -0.15 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 43.81 1qk4 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qk4 s TYR 205 N -1.67 2.95 0.43 0.00 1.51 -0.46 -4.66 117.35 115.44 1qk4 s TYR 205 Ca 0.00 1.19 0.04 0.00 -1.01 0.00 0.00 57.07 57.29 1qk4 s TYR 205 Cb 0.00 -3.81 -0.05 0.00 -0.11 0.00 0.00 41.96 37.99 1qk4 s TYR 205 CO 0.00 -2.45 0.03 0.16 -1.11 0.00 0.00 175.55 172.18 1qk4 s ASP 206 N -0.04 3.62 -0.24 2.29 3.84 -1.26 -1.15 116.67 123.72 1qk4 s ASP 206 Ca 0.54 -1.50 -0.04 0.00 -0.00 0.00 0.00 52.55 51.55 1qk4 s ASP 206 Cb -0.42 0.05 0.08 0.00 -1.38 0.00 0.00 42.92 41.25 1qk4 s ASP 206 CO 0.50 -0.66 0.10 0.12 -0.00 0.00 0.00 175.17 175.24 1qk4 s PHE 207 N -2.91 0.41 -1.45 2.11 5.36 -0.87 -4.77 117.98 115.87 1qk4 s PHE 207 Ca 0.24 -0.71 -0.06 0.00 -0.96 0.00 0.00 56.93 55.44 1qk4 s PHE 207 Cb 0.06 -0.88 0.04 0.00 -0.34 0.00 0.00 43.02 41.91 1qk4 s PHE 207 CO 0.12 -0.69 0.72 0.09 -1.46 0.00 0.00 175.22 174.00 1qk4 n ASN 208 N 5.22 -2.22 0.00 6.13 3.02 -1.26 -0.97 115.26 125.18 1qk4 n ASN 208 Ca -0.06 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1qk4 n ASN 208 Cb 0.45 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 1qk4 n ASN 208 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qk4 n GLU 209 N -4.44 -0.11 -3.70 3.52 -0.58 -1.26 -5.01 120.64 109.06 1qk4 n GLU 209 Ca -0.16 0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.31 1qk4 n GLU 209 Cb 0.62 -3.16 -0.04 0.00 -0.57 0.00 0.00 31.44 28.29 1qk4 n GLU 209 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1qk4 s MET 210 N -0.33 3.56 0.00 3.49 1.75 -0.15 -4.54 119.30 123.08 1qk4 s MET 210 Ca 0.00 -0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.21 1qk4 s MET 210 Cb 0.00 -2.86 0.00 0.00 2.84 0.00 0.00 34.83 34.81 1qk4 s MET 210 CO 0.00 0.45 0.00 1.19 -0.65 0.00 0.00 175.02 176.01 1qk4 n PHE 211 N -0.20 0.00 -0.24 4.11 3.01 -1.26 -2.05 117.46 120.83 1qk4 n PHE 211 Ca -0.04 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.47 1qk4 n PHE 211 Cb 0.52 0.00 0.29 0.00 -0.01 0.00 0.00 39.48 40.28 1qk4 n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qk4 h ARG 212 N 3.38 0.88 -0.00 -1.08 3.08 -1.80 -1.52 114.38 117.32 1qk4 h ARG 212 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1qk4 h ARG 212 Cb 0.00 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1qk4 h ARG 212 CO 0.00 0.59 -0.03 -0.40 -1.07 0.00 0.00 179.97 179.05 1qk4 n ASP 213 N -4.48 0.11 -4.76 7.04 5.68 -1.26 -1.30 116.55 117.58 1qk4 n ASP 213 Ca 0.12 -0.21 -0.41 0.00 -0.50 0.00 0.00 54.79 53.79 1qk4 n ASP 213 Cb 0.19 -0.24 -0.02 0.00 -1.14 0.00 0.00 41.12 39.91 1qk4 n ASP 213 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1qk4 s PHE 214 N -2.58 2.91 -1.01 2.11 5.36 -0.58 -4.86 117.98 119.33 1qk4 s PHE 214 Ca 0.28 1.19 0.23 0.00 -0.96 0.00 0.00 56.93 57.67 1qk4 s PHE 214 Cb 0.20 -3.83 0.98 0.00 -0.34 0.00 0.00 43.02 40.03 1qk4 s PHE 214 CO 0.47 -2.49 1.73 -0.25 -1.46 0.00 0.00 175.22 173.22 1qk4 n ASP 215 N 1.28 0.00 -4.36 6.13 8.00 -1.26 -0.54 116.55 125.80 1qk4 n ASP 215 Ca 0.03 0.49 -0.19 0.00 0.71 0.00 0.00 54.79 55.82 1qk4 n ASP 215 Cb 0.40 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.91 1qk4 n ASP 215 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1qk4 s HIS 216 N -2.99 1.78 -0.34 1.24 3.76 -1.26 -3.31 115.29 114.16 1qk4 s HIS 216 Ca 0.11 -0.57 -0.24 0.00 -0.15 0.00 0.00 55.06 54.21 1qk4 s HIS 216 Cb 0.15 -0.84 0.01 0.00 1.11 0.00 0.00 32.58 33.01 1qk4 s HIS 216 CO 0.42 0.38 0.82 0.08 -0.85 0.00 0.00 174.74 175.58 1qk4 s VAL 217 N -2.95 4.72 0.40 -0.90 1.01 0.50 -3.49 120.40 119.70 1qk4 s VAL 217 Ca 0.24 1.09 0.08 0.00 0.00 0.00 0.00 61.98 63.38 1qk4 s VAL 217 Cb -0.01 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1qk4 s VAL 217 CO 0.08 -0.38 0.09 0.00 0.00 0.00 0.00 175.10 174.89 1qk4 s ALA 218 N 3.14 3.38 0.09 5.51 0.00 0.11 -0.37 121.76 133.61 1qk4 s ALA 218 Ca 0.33 -2.15 -0.18 0.00 0.00 0.00 0.00 51.96 49.96 1qk4 s ALA 218 Cb -0.13 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 1qk4 s ALA 218 CO 0.15 -0.11 0.57 0.08 0.00 0.00 0.00 175.76 176.45 1qk4 s VAL 219 N -2.62 4.76 0.07 0.00 1.01 -0.67 -1.15 120.40 121.80 1qk4 s VAL 219 Ca 0.38 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 63.20 1qk4 s VAL 219 Cb 0.05 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 1qk4 s VAL 219 CO 0.20 0.49 1.66 -0.22 0.00 0.00 0.00 175.10 177.23 1qk4 s LEU 220 N -1.30 4.37 0.53 3.92 2.96 -0.51 -4.69 118.68 123.97 1qk4 s LEU 220 Ca 0.31 2.50 0.03 0.00 -0.22 0.00 0.00 54.13 56.75 1qk4 s LEU 220 Cb -0.19 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 42.98 1qk4 s LEU 220 CO 0.19 -0.89 0.74 -0.94 -1.32 0.00 0.00 176.35 174.13 1qk4 s SER 221 N 2.41 5.27 0.26 3.68 1.04 -1.26 -4.93 113.70 120.17 1qk4 s SER 221 Ca 0.74 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.95 1qk4 s SER 221 Cb -0.40 -0.66 0.35 0.00 0.10 0.00 0.00 66.02 65.41 1qk4 s SER 221 CO 0.32 -1.13 1.75 0.44 0.98 0.00 0.00 173.24 175.61 1qk4 h ASP 222 N 0.17 0.70 -0.55 7.02 5.19 -1.94 -0.43 116.42 126.58 1qk4 h ASP 222 Ca -0.40 -0.18 -0.06 0.00 -0.62 0.00 0.00 57.03 55.77 1qk4 h ASP 222 Cb 1.29 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 1qk4 h ASP 222 CO 0.48 0.81 0.12 0.00 -3.12 0.00 0.00 179.24 177.53 1qk4 h ALA 223 N 1.26 0.72 -0.07 3.45 0.00 -1.90 -1.93 119.26 120.79 1qk4 h ALA 223 Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1qk4 h ALA 223 Cb 0.51 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1qk4 h ALA 223 CO 0.03 0.44 0.03 0.00 0.00 0.00 0.00 179.25 179.74 1qk4 h ALA 224 N 1.01 0.09 0.19 0.00 0.00 -1.61 -1.84 119.26 117.10 1qk4 h ALA 224 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qk4 h ALA 224 Cb 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1qk4 h ALA 224 CO 0.00 -0.31 -0.37 0.00 0.00 0.00 0.00 179.25 178.57 1qk4 h ARG 225 N -0.06 -0.59 -0.72 0.00 3.08 -0.95 0.14 114.38 115.29 1qk4 h ARG 225 Ca 0.02 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.27 1qk4 h ARG 225 Cb 0.19 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.26 1qk4 h ARG 225 CO -0.00 -0.39 0.13 0.87 -1.07 0.00 0.00 179.97 179.50 1qk4 h LYS 226 N -0.61 0.21 -0.30 0.04 1.57 -1.39 1.43 116.57 117.52 1qk4 h LYS 226 Ca -0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1qk4 h LYS 226 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1qk4 h LYS 226 CO -0.14 0.14 0.12 -0.22 -0.57 0.00 0.00 179.45 178.78 1qk4 h LYS 227 N 0.22 0.44 -0.35 3.15 1.63 -1.08 -3.31 116.57 117.26 1qk4 h LYS 227 Ca 0.40 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1qk4 h LYS 227 Cb 0.68 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1qk4 h LYS 227 CO -0.53 0.45 0.00 1.19 -3.45 0.00 0.00 179.45 177.11 1qk4 n PHE 228 N -4.75 0.47 0.00 1.91 3.01 0.48 -5.10 117.46 113.48 1qk4 n PHE 228 Ca -0.02 -0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.05 1qk4 n PHE 228 Cb 0.13 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1qk4 n PHE 228 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16