#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqk s VAL 2 N 0.00 5.02 -0.00 -0.39 1.01 -1.26 -4.32 120.40 120.45 3hqk s VAL 2 Ca 0.00 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.15 3hqk s VAL 2 Cb 0.00 -3.91 -0.27 0.00 0.00 0.00 0.00 36.38 32.19 3hqk s VAL 2 CO 0.00 0.36 0.84 1.56 0.00 0.00 0.00 175.10 177.86 3hqk h GLN 3 N 6.13 0.23 -6.68 2.72 1.08 -1.87 -3.47 115.11 113.24 3hqk h GLN 3 Ca -0.43 -0.40 -0.50 0.00 -1.45 0.00 0.00 58.65 55.87 3hqk h GLN 3 Cb 1.19 0.15 -0.18 0.00 -0.05 0.00 0.00 27.48 28.60 3hqk h GLN 3 CO 0.72 1.08 -0.78 -0.11 -0.95 0.00 0.00 178.83 178.79 3hqk n LEU 4 N -3.43 -0.77 -4.75 1.46 7.94 -1.25 -4.77 117.00 111.43 3hqk n LEU 4 Ca -0.17 -1.04 -0.22 0.00 -1.11 0.00 0.00 56.01 53.47 3hqk n LEU 4 Cb 1.04 -1.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.65 3hqk n LEU 4 CO 0.50 0.37 -0.22 0.00 -1.11 0.00 0.00 177.39 176.93 3hqk s GLN 5 N -6.53 2.60 0.00 1.96 1.03 -1.19 -3.60 119.66 113.93 3hqk s GLN 5 Ca 0.03 -1.28 0.00 0.00 0.04 0.00 0.00 55.36 54.15 3hqk s GLN 5 Cb -0.02 -2.36 0.00 0.00 0.03 0.00 0.00 33.01 30.67 3hqk s GLN 5 CO 0.81 0.32 0.00 0.00 -2.54 0.00 0.00 175.29 173.88 3hqk n GLN 6 N -1.09 2.61 -4.85 9.60 10.64 -1.26 -0.76 117.38 132.26 3hqk n GLN 6 Ca -0.06 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.85 3hqk n GLN 6 Cb 0.59 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.81 3hqk n GLN 6 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3hqk s SER 7 N 0.84 2.15 -0.15 2.61 0.15 -1.17 -4.99 113.70 113.13 3hqk s SER 7 Ca 0.00 -0.34 0.15 0.00 0.70 0.00 0.00 55.95 56.46 3hqk s SER 7 Cb 0.00 -0.47 0.55 0.00 -1.71 0.00 0.00 66.02 64.39 3hqk s SER 7 CO 0.00 0.18 1.45 0.61 1.20 0.00 0.00 173.24 176.68 3hqk n GLY 8 N 2.96 3.59 0.18 9.45 0.00 -1.26 -4.48 105.19 115.63 3hqk n GLY 8 Ca -0.17 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 3hqk n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hqk h PRO 9 N 2.31 0.56 0.00 1.61 0.11 -1.96 -3.37 132.00 131.25 3hqk h PRO 9 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3hqk h PRO 9 Cb 1.40 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hqk h PRO 9 CO 0.22 0.46 0.00 -0.85 -0.21 0.00 0.00 178.00 177.62 3hqk n GLU 10 N -4.73 0.00 -3.69 1.05 0.28 -1.20 -4.82 120.64 107.54 3hqk n GLU 10 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 3hqk n GLU 10 Cb 0.09 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.01 3hqk n GLU 10 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3hqk n LEU 11 N 0.00 -3.19 -4.80 -1.84 7.94 -0.82 -4.83 117.00 109.46 3hqk n LEU 11 Ca 0.00 -0.68 -0.39 0.00 -1.11 0.00 0.00 56.01 53.83 3hqk n LEU 11 Cb 0.00 -2.83 -0.06 0.00 0.53 0.00 0.00 43.42 41.06 3hqk n LEU 11 CO 0.00 0.51 0.34 0.54 -1.11 0.00 0.00 177.39 177.67 3hqk s VAL 12 N -3.39 4.62 0.73 1.96 0.11 0.08 -4.87 120.40 119.64 3hqk s VAL 12 Ca 0.40 1.36 -0.11 0.00 -2.93 0.00 0.00 61.98 60.70 3hqk s VAL 12 Cb -0.19 -3.97 0.03 0.00 -1.53 0.00 0.00 36.38 30.72 3hqk s VAL 12 CO 0.78 0.52 1.07 -0.54 -3.33 0.00 0.00 175.10 173.60 3hqk s LYS 13 N -1.19 2.61 0.24 1.54 1.02 -1.26 -3.43 119.74 119.27 3hqk s LYS 13 Ca 0.32 0.87 -0.31 0.00 0.02 0.00 0.00 55.97 56.87 3hqk s LYS 13 Cb -0.20 -1.96 -0.11 0.00 -0.52 0.00 0.00 37.83 35.04 3hqk s LYS 13 CO 0.21 -1.31 1.59 -2.14 -0.92 0.00 0.00 175.35 172.79 3hqk s PRO 14 N -5.07 4.17 0.00 -1.68 0.02 -1.26 -0.18 135.00 131.00 3hqk s PRO 14 Ca 0.59 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.10 3hqk s PRO 14 Cb -0.14 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3hqk s PRO 14 CO 0.55 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 177.01 3hqk n GLY 15 N 2.94 1.19 3.83 0.52 0.00 -1.10 -5.01 105.19 107.57 3hqk n GLY 15 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3hqk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqk s ALA 16 N -3.79 2.83 -0.19 4.61 0.00 0.75 -4.64 121.76 121.33 3hqk s ALA 16 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 3hqk s ALA 16 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3hqk s ALA 16 CO 0.00 -0.92 -0.02 -1.17 0.00 0.00 0.00 175.76 173.65 3hqk s LEU 17 N -5.11 3.20 -0.00 0.00 0.20 -1.26 -3.56 118.68 112.16 3hqk s LEU 17 Ca 0.58 -0.20 0.02 0.00 0.69 0.00 0.00 54.13 55.23 3hqk s LEU 17 Cb -0.13 -1.80 -0.03 0.00 -0.43 0.00 0.00 46.19 43.80 3hqk s LEU 17 CO 0.49 0.09 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.91 3hqk s VAL 18 N 0.83 3.86 -0.10 1.68 1.01 -1.17 -4.97 120.40 121.55 3hqk s VAL 18 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3hqk s VAL 18 Cb -0.14 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.58 3hqk s VAL 18 CO 0.02 0.40 0.04 -0.75 0.00 0.00 0.00 175.10 174.81 3hqk s LYS 19 N -1.45 0.29 0.15 2.72 2.20 -1.26 -1.30 119.74 121.10 3hqk s LYS 19 Ca 0.18 0.09 0.07 0.00 -0.36 0.00 0.00 55.97 55.95 3hqk s LYS 19 Cb -0.11 -1.13 -0.04 0.00 -1.51 0.00 0.00 37.83 35.03 3hqk s LYS 19 CO 0.08 -0.42 -0.04 0.42 -0.36 0.00 0.00 175.35 175.03 3hqk s ILE 20 N 2.05 3.59 0.07 5.43 1.01 -0.36 -4.91 121.20 128.09 3hqk s ILE 20 Ca 0.04 -1.39 0.07 0.00 0.00 0.00 0.00 60.65 59.37 3hqk s ILE 20 Cb -0.13 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3hqk s ILE 20 CO -0.06 -0.05 -0.20 -0.94 0.00 0.00 0.00 174.94 173.70 3hqk s SER 21 N -2.72 2.36 -0.04 3.58 1.04 -1.26 0.06 113.70 116.71 3hqk s SER 21 Ca 0.26 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 56.14 3hqk s SER 21 Cb -0.10 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 3hqk s SER 21 CO 0.17 0.08 -0.22 0.00 0.98 0.00 0.00 173.24 174.26 3hqk s LYS 23 N -0.19 0.77 0.48 0.00 1.02 0.06 -0.45 119.74 121.43 3hqk s LYS 23 Ca -0.00 -0.75 -0.22 0.00 0.02 0.00 0.00 55.97 55.01 3hqk s LYS 23 Cb -0.12 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 3hqk s LYS 23 CO 0.02 -0.79 1.19 0.00 -0.92 0.00 0.00 175.35 174.86 3hqk s ALA 24 N 1.72 2.92 0.11 5.17 0.00 -0.88 -3.15 121.76 127.65 3hqk s ALA 24 Ca 0.03 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.01 3hqk s ALA 24 Cb -0.17 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3hqk s ALA 24 CO -0.16 -0.79 -0.09 -1.54 0.00 0.00 0.00 175.76 173.19 3hqk s SER 25 N -1.33 1.43 0.16 0.00 1.04 -1.26 -4.84 113.70 108.91 3hqk s SER 25 Ca 0.66 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3hqk s SER 25 Cb -0.30 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.86 3hqk s SER 25 CO 0.36 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.82 3hqk n GLY 26 N 0.05 1.68 3.76 7.32 0.00 -1.26 -3.87 105.19 112.87 3hqk n GLY 26 Ca -0.12 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3hqk n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hqk s TYR 27 N 0.00 2.50 0.30 1.61 1.13 -1.26 -4.91 117.35 116.71 3hqk s TYR 27 Ca 0.00 1.32 -0.30 0.00 -1.41 0.00 0.00 57.07 56.68 3hqk s TYR 27 Cb 0.00 -3.84 -0.11 0.00 -1.10 0.00 0.00 41.96 36.91 3hqk s TYR 27 CO 0.00 -2.74 1.53 0.95 -2.51 0.00 0.00 175.55 172.78 3hqk s THR 28 N -1.24 2.23 0.24 -3.49 -4.23 -1.26 -4.89 115.64 103.00 3hqk s THR 28 Ca 0.63 0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 61.29 3hqk s THR 28 Cb -0.42 -3.13 0.17 0.00 1.34 0.00 0.00 72.50 70.46 3hqk s THR 28 CO 0.53 0.04 1.81 0.15 -0.54 0.00 0.00 174.62 176.61 3hqk h PHE 29 N 4.57 1.09 -0.00 3.99 3.04 -1.94 -3.15 116.94 124.54 3hqk h PHE 29 Ca -0.47 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.40 3hqk h PHE 29 Cb 1.22 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.41 3hqk h PHE 29 CO 0.58 0.83 -0.18 2.41 -2.02 0.00 0.00 178.31 179.93 3hqk n THR 30 N -4.29 0.00 0.26 4.41 -1.04 -1.26 -3.21 114.28 109.15 3hqk n THR 30 Ca 0.06 -0.02 0.14 0.00 -2.04 0.00 0.00 64.05 62.20 3hqk n THR 30 Cb 0.18 -0.15 0.65 0.00 -1.82 0.00 0.00 70.33 69.19 3hqk n THR 30 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3hqk h ASN 31 N 0.19 0.00 -3.06 8.00 -0.26 -1.94 -3.41 115.58 115.10 3hqk h ASN 31 Ca 0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.63 3hqk h ASN 31 Cb 0.45 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.69 3hqk h ASN 31 CO 0.00 0.10 -0.09 -1.22 -1.06 0.00 0.00 177.43 175.17 3hqk n TYR 32 N -3.30 0.08 -3.42 1.19 4.01 -1.20 -5.03 117.16 109.49 3hqk n TYR 32 Ca -0.00 -0.47 -0.24 0.00 -0.16 0.00 0.00 57.90 57.03 3hqk n TYR 32 Cb 0.32 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.32 3hqk n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hqk s ASP 33 N -1.47 6.31 -0.06 7.72 1.01 -1.26 -4.34 116.67 124.57 3hqk s ASP 33 Ca 0.03 0.44 0.04 0.00 0.71 0.00 0.00 52.55 53.76 3hqk s ASP 33 Cb 0.00 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 3hqk s ASP 33 CO 0.02 -0.27 -0.17 -0.63 0.21 0.00 0.00 175.17 174.33 3hqk s ILE 34 N -2.27 2.82 0.07 0.77 -1.09 -1.10 -4.56 121.20 115.84 3hqk s ILE 34 Ca 0.40 -0.80 0.07 0.00 -2.23 0.00 0.00 60.65 58.09 3hqk s ILE 34 Cb -0.10 -2.10 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 3hqk s ILE 34 CO 0.35 0.58 -0.19 0.20 -1.23 0.00 0.00 174.94 174.65 3hqk s ASN 35 N -0.44 2.23 -0.16 3.58 0.01 -0.20 -2.92 114.94 117.03 3hqk s ASN 35 Ca 0.05 -0.60 0.01 0.00 -0.71 0.00 0.00 52.86 51.61 3hqk s ASN 35 Cb -0.12 -0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.43 3hqk s ASN 35 CO 0.02 0.05 -0.19 0.26 -1.51 0.00 0.00 177.10 175.73 3hqk s TRP 36 N -1.05 2.60 0.25 2.20 0.52 -1.26 -0.59 118.94 121.62 3hqk s TRP 36 Ca 0.04 -1.48 0.10 0.00 0.02 0.00 0.00 56.10 54.79 3hqk s TRP 36 Cb -0.09 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 3hqk s TRP 36 CO 0.03 -0.73 -0.07 0.14 0.02 0.00 0.00 176.95 176.33 3hqk s VAL 37 N 1.23 3.15 -0.03 4.03 -7.23 -0.08 0.27 120.40 121.76 3hqk s VAL 37 Ca 0.02 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.23 3hqk s VAL 37 Cb -0.13 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.15 3hqk s VAL 37 CO -0.10 -0.33 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.52 3hqk s LYS 38 N -3.47 0.91 -0.11 4.82 2.20 0.40 -0.22 119.74 124.26 3hqk s LYS 38 Ca 0.30 -0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.66 3hqk s LYS 38 Cb -0.06 -0.85 0.00 0.00 -1.51 0.00 0.00 37.83 35.40 3hqk s LYS 38 CO 0.18 0.10 -0.23 -1.14 -0.36 0.00 0.00 175.35 173.89 3hqk s GLN 39 N 0.23 3.04 0.57 4.03 0.74 -1.21 0.11 119.66 127.18 3hqk s GLN 39 Ca -0.04 -0.87 -0.18 0.00 0.05 0.00 0.00 55.36 54.32 3hqk s GLN 39 Cb -0.09 -2.34 -0.04 0.00 1.10 0.00 0.00 33.01 31.64 3hqk s GLN 39 CO 0.00 0.12 1.13 1.03 -0.55 0.00 0.00 175.29 177.02 3hqk s ARG 40 N 0.49 3.19 -0.44 1.67 1.81 -1.23 -2.09 118.95 122.36 3hqk s ARG 40 Ca -0.15 1.58 -0.44 0.00 -1.72 0.00 0.00 55.73 55.00 3hqk s ARG 40 Cb -0.17 -1.99 -0.18 0.00 -0.45 0.00 0.00 34.95 32.16 3hqk s ARG 40 CO 0.05 -0.97 1.82 -2.30 -0.68 0.00 0.00 175.30 173.23 3hqk n PRO 41 N -1.58 0.35 -3.81 3.54 -0.02 -1.26 -0.88 135.00 131.34 3hqk n PRO 41 Ca 0.11 0.12 -0.25 0.00 -2.02 0.00 0.00 63.50 61.47 3hqk n PRO 41 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3hqk n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqk n GLY 42 N 5.17 -1.32 0.30 -1.23 0.00 -1.26 -4.94 105.19 101.91 3hqk n GLY 42 Ca 0.37 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.99 3hqk n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hqk n GLN 43 N -2.65 0.09 -2.10 1.61 6.02 -0.06 -5.14 117.38 115.15 3hqk n GLN 43 Ca -0.33 -0.18 -0.41 0.00 -0.01 0.00 0.00 57.00 56.07 3hqk n GLN 43 Cb 0.70 0.22 -0.02 0.00 1.02 0.00 0.00 30.24 32.16 3hqk n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3hqk s GLY 44 N -1.17 2.49 0.37 1.08 0.00 -1.26 -4.47 107.32 104.35 3hqk s GLY 44 Ca 0.01 1.24 -0.25 0.00 0.00 0.00 0.00 44.72 45.72 3hqk s GLY 44 CO 0.01 2.14 1.04 1.08 0.00 0.00 0.00 173.10 177.38 3hqk s LEU 45 N -0.55 4.24 -0.08 0.66 1.02 -1.26 -3.53 118.68 119.18 3hqk s LEU 45 Ca 0.57 2.05 0.03 0.00 0.02 0.00 0.00 54.13 56.80 3hqk s LEU 45 Cb -0.40 -4.06 0.01 0.00 0.02 0.00 0.00 46.19 41.77 3hqk s LEU 45 CO 0.43 -0.37 -0.16 -0.70 0.02 0.00 0.00 176.35 175.57 3hqk s GLU 46 N -2.24 2.21 0.05 1.70 2.12 0.30 -4.89 118.70 117.95 3hqk s GLU 46 Ca 0.54 -0.59 -0.23 0.00 0.36 0.00 0.00 54.97 55.05 3hqk s GLU 46 Cb -0.23 -1.77 -0.06 0.00 0.26 0.00 0.00 34.13 32.33 3hqk s GLU 46 CO 0.30 0.06 0.70 -0.46 -0.54 0.00 0.00 175.26 175.32 3hqk s TRP 47 N 0.61 3.75 -0.27 5.30 -0.00 -1.26 0.15 118.94 127.22 3hqk s TRP 47 Ca -0.15 1.40 -0.07 0.00 -0.00 0.00 0.00 56.10 57.28 3hqk s TRP 47 Cb -0.16 -2.73 -0.14 0.00 -0.00 0.00 0.00 33.47 30.44 3hqk s TRP 47 CO 0.05 0.35 -0.30 -0.89 -0.00 0.00 0.00 176.95 176.15 3hqk n ILE 48 N 2.57 1.50 -3.87 5.86 2.08 0.77 -4.81 119.36 123.45 3hqk n ILE 48 Ca -0.05 -0.46 -0.09 0.00 0.56 0.00 0.00 62.75 62.72 3hqk n ILE 48 Cb 0.50 -1.69 -0.04 0.00 -0.75 0.00 0.00 39.64 37.67 3hqk n ILE 48 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3hqk s GLY 49 N -5.91 0.14 -0.12 7.39 0.00 -1.21 -2.02 107.32 105.59 3hqk s GLY 49 Ca -0.37 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3hqk s GLY 49 CO 0.53 -0.35 -0.13 -0.98 0.00 0.00 0.00 173.10 172.17 3hqk s TRP 50 N -3.94 2.80 0.01 1.90 0.23 2.42 -4.01 118.94 118.36 3hqk s TRP 50 Ca 0.15 -0.60 -0.05 0.00 -2.03 0.00 0.00 56.10 53.56 3hqk s TRP 50 Cb -0.02 -1.83 -0.01 0.00 0.03 0.00 0.00 33.47 31.65 3hqk s TRP 50 CO 0.04 -0.18 0.08 -1.50 0.96 0.00 0.00 176.95 176.36 3hqk s ILE 51 N 0.26 0.10 -0.04 2.03 2.07 -1.15 -0.74 121.20 123.73 3hqk s ILE 51 Ca -0.09 -0.82 -0.02 0.00 -1.41 0.00 0.00 60.65 58.31 3hqk s ILE 51 Cb -0.15 -0.46 0.03 0.00 0.13 0.00 0.00 42.46 42.01 3hqk s ILE 51 CO 0.05 -0.45 0.05 -0.47 -1.91 0.00 0.00 174.94 172.21 3hqk s TYR 52 N -1.60 0.14 0.26 3.50 5.04 -1.06 -2.69 117.35 120.95 3hqk s TYR 52 Ca -0.14 0.19 -0.02 0.00 -2.44 0.00 0.00 57.07 54.67 3hqk s TYR 52 Cb -0.07 -0.51 0.46 0.00 0.35 0.00 0.00 41.96 42.20 3hqk s TYR 52 CO -0.00 -0.20 1.82 -1.35 -1.34 0.00 0.00 175.55 174.48 3hqk h PRO 53 N 8.33 0.87 -0.60 4.97 0.11 -1.84 -0.64 132.00 143.19 3hqk h PRO 53 Ca -0.16 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.81 3hqk h PRO 53 Cb 1.12 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3hqk h PRO 53 CO 0.19 0.57 0.03 0.78 -0.21 0.00 0.00 178.00 179.36 3hqk h GLY 54 N 0.89 1.11 -1.49 -0.55 0.00 -1.89 -3.47 103.07 97.67 3hqk h GLY 54 Ca 0.44 -0.78 -0.27 0.00 0.00 0.00 0.00 47.33 46.72 3hqk h GLY 54 CO -0.25 0.72 -0.12 0.99 0.00 0.00 0.00 176.54 177.88 3hqk s ASP 55 N -6.57 0.95 0.52 0.19 1.01 -0.25 -5.16 116.67 107.36 3hqk s ASP 55 Ca -0.11 -1.51 -0.22 0.00 0.71 0.00 0.00 52.55 51.41 3hqk s ASP 55 Cb 0.14 0.71 -0.06 0.00 1.01 0.00 0.00 42.92 44.73 3hqk s ASP 55 CO 0.85 -1.39 1.35 -0.83 0.21 0.00 0.00 175.17 175.35 3hqk s GLY 56 N -3.24 2.88 0.66 0.21 0.00 -1.26 -2.55 107.32 104.02 3hqk s GLY 56 Ca 0.29 1.31 -0.01 0.00 0.00 0.00 0.00 44.72 46.31 3hqk s GLY 56 CO 0.21 1.84 0.92 -1.35 0.00 0.00 0.00 173.10 174.71 3hqk s SER 57 N -0.93 4.74 0.04 1.64 1.04 -1.25 -4.55 113.70 114.43 3hqk s SER 57 Ca 0.69 -0.12 0.06 0.00 0.48 0.00 0.00 55.95 57.06 3hqk s SER 57 Cb -0.40 -0.48 -0.03 0.00 0.10 0.00 0.00 66.02 65.21 3hqk s SER 57 CO 0.48 -1.57 -0.13 -0.89 0.98 0.00 0.00 173.24 172.10 3hqk s THR 58 N -3.02 3.14 -0.01 2.02 2.01 0.08 -4.87 115.64 114.98 3hqk s THR 58 Ca 0.62 -1.10 0.05 0.00 0.31 0.00 0.00 61.69 61.58 3hqk s THR 58 Cb -0.08 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 3hqk s THR 58 CO 0.42 0.30 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.44 3hqk s MET 59 N -1.60 1.42 0.35 4.92 -1.94 -1.26 0.58 119.30 121.77 3hqk s MET 59 Ca 0.17 -0.62 -0.28 0.00 -1.71 0.00 0.00 55.69 53.24 3hqk s MET 59 Cb -0.11 -1.36 -0.11 0.00 2.01 0.00 0.00 34.83 35.26 3hqk s MET 59 CO 0.08 0.37 1.40 -0.47 -0.01 0.00 0.00 175.02 176.39 3hqk s TYR 60 N -0.39 2.82 0.23 -0.03 6.04 -0.86 -4.91 117.35 120.25 3hqk s TYR 60 Ca 0.06 1.27 -0.06 0.00 0.04 0.00 0.00 57.07 58.39 3hqk s TYR 60 Cb -0.07 -3.86 0.22 0.00 -1.04 0.00 0.00 41.96 37.21 3hqk s TYR 60 CO -0.01 -2.46 1.79 -0.97 -1.54 0.00 0.00 175.55 172.36 3hqk h ASN 61 N 3.27 1.03 -0.65 4.32 -0.73 -1.95 -1.58 115.58 119.30 3hqk h ASN 61 Ca -0.50 -0.17 -0.01 0.00 1.87 0.00 0.00 56.30 57.50 3hqk h ASN 61 Cb 1.23 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 39.52 3hqk h ASN 61 CO 0.65 0.93 0.38 -0.08 -0.37 0.00 0.00 177.43 178.94 3hqk h GLU 62 N 1.08 0.89 -2.30 6.67 4.57 -1.96 -2.86 114.58 120.68 3hqk h GLU 62 Ca 0.24 -0.09 -0.67 0.00 -1.18 0.00 0.00 59.36 57.66 3hqk h GLU 62 Cb 0.24 -0.18 -0.36 0.00 -0.16 0.00 0.00 28.75 28.28 3hqk h GLU 62 CO -0.02 0.65 -0.02 1.63 -1.18 0.00 0.00 179.01 180.07 3hqk n LYS 63 N -4.57 3.98 -0.18 1.92 5.02 -1.10 -4.93 118.16 118.31 3hqk n LYS 63 Ca 0.05 -4.78 -0.09 0.00 -2.02 0.00 0.00 58.31 51.47 3hqk n LYS 63 Cb 0.07 -2.33 0.01 0.00 -0.02 0.00 0.00 35.03 32.75 3hqk n LYS 63 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hqk h PHE 64 N 3.58 0.93 -3.44 2.13 3.57 -1.05 -3.41 116.94 119.26 3hqk h PHE 64 Ca 0.27 -0.15 -0.32 0.00 3.53 0.00 0.00 57.97 61.31 3hqk h PHE 64 Cb 0.46 -0.25 -0.15 0.00 2.79 0.00 0.00 35.95 38.80 3hqk h PHE 64 CO 1.00 0.86 -0.71 0.21 -2.23 0.00 0.00 178.31 177.45 3hqk s LYS 65 N -5.09 1.06 0.00 1.11 2.20 -1.26 -4.72 119.74 113.03 3hqk s LYS 65 Ca -0.12 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 3hqk s LYS 65 Cb 0.12 -0.57 0.00 0.00 -1.51 0.00 0.00 37.83 35.87 3hqk s LYS 65 CO 0.82 0.05 0.00 0.41 -0.36 0.00 0.00 175.35 176.26 3hqk n GLY 66 N -0.20 0.73 3.08 5.54 0.00 -1.26 -4.80 105.19 108.28 3hqk n GLY 66 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3hqk n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hqk s LYS 67 N -0.65 0.48 -0.30 1.61 -2.85 -1.25 1.59 119.74 118.37 3hqk s LYS 67 Ca 0.00 -0.58 -0.05 0.00 -1.00 0.00 0.00 55.97 54.34 3hqk s LYS 67 Cb 0.00 0.19 0.16 0.00 -2.06 0.00 0.00 37.83 36.12 3hqk s LYS 67 CO 0.00 -0.11 0.61 0.00 0.10 0.00 0.00 175.35 175.95 3hqk s ALA 68 N -1.85 -2.10 0.27 0.59 0.00 -0.75 -4.93 121.76 112.98 3hqk s ALA 68 Ca -0.11 2.01 -0.25 0.00 0.00 0.00 0.00 51.96 53.61 3hqk s ALA 68 Cb -0.06 -1.97 -0.09 0.00 0.00 0.00 0.00 23.12 21.00 3hqk s ALA 68 CO -0.01 -1.15 0.87 0.95 0.00 0.00 0.00 175.76 176.42 3hqk s THR 69 N 2.86 4.30 0.25 0.00 -4.23 -1.26 -2.71 115.64 114.84 3hqk s THR 69 Ca 0.09 1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 62.19 3hqk s THR 69 Cb -0.14 -4.03 -0.00 0.00 1.34 0.00 0.00 72.50 69.67 3hqk s THR 69 CO -0.20 0.24 0.48 -0.22 -0.54 0.00 0.00 174.62 174.39 3hqk s LEU 70 N -1.83 0.33 0.09 4.79 2.96 -0.39 -4.92 118.68 119.72 3hqk s LEU 70 Ca 0.46 -0.95 -0.25 0.00 -0.22 0.00 0.00 54.13 53.17 3hqk s LEU 70 Cb -0.19 1.78 0.09 0.00 0.50 0.00 0.00 46.19 48.36 3hqk s LEU 70 CO 0.24 -1.15 1.14 0.28 -1.32 0.00 0.00 176.35 175.54 3hqk s THR 71 N -3.97 0.00 -0.28 3.68 -1.32 -1.26 -1.83 115.64 110.65 3hqk s THR 71 Ca 0.23 -0.41 -0.04 0.00 -1.21 0.00 0.00 61.69 60.26 3hqk s THR 71 Cb -0.01 -2.71 0.10 0.00 -1.51 0.00 0.00 72.50 68.37 3hqk s THR 71 CO 0.09 0.00 0.15 0.00 -2.21 0.00 0.00 174.62 172.65 3hqk s ALA 72 N -2.26 0.45 0.31 11.08 0.00 -1.16 -4.98 121.76 125.21 3hqk s ALA 72 Ca 0.22 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.32 3hqk s ALA 72 Cb -0.01 -1.42 0.73 0.00 0.00 0.00 0.00 23.12 22.42 3hqk s ALA 72 CO 0.02 -1.62 1.80 -0.44 0.00 0.00 0.00 175.76 175.52 3hqk h ASP 73 N 8.39 0.79 0.32 0.00 3.32 -1.91 -2.93 116.42 124.40 3hqk h ASP 73 Ca -0.19 0.08 -0.24 0.00 0.02 0.00 0.00 57.03 56.70 3hqk h ASP 73 Cb 1.03 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.52 3hqk h ASP 73 CO 0.41 0.33 -1.02 0.50 -1.72 0.00 0.00 179.24 177.75 3hqk h LYS 74 N 0.79 0.44 0.00 3.56 3.64 -1.96 -2.47 116.57 120.58 3hqk h LYS 74 Ca 0.54 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hqk h LYS 74 Cb 0.81 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3hqk h LYS 74 CO -0.32 1.17 0.00 0.66 -2.27 0.00 0.00 179.45 178.68 3hqk h SER 75 N 0.23 0.00 -5.94 4.20 4.64 -1.97 -3.46 113.55 111.26 3hqk h SER 75 Ca -0.10 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.80 3hqk h SER 75 Cb 1.67 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.86 3hqk h SER 75 CO 0.18 0.00 -0.70 -0.24 -0.87 0.00 0.00 176.83 175.20 3hqk n SER 76 N -2.41 -6.09 -4.05 4.97 2.88 -0.93 -4.93 113.62 103.05 3hqk n SER 76 Ca 0.02 -0.59 -0.09 0.00 -1.33 0.00 0.00 58.87 56.87 3hqk n SER 76 Cb 0.23 -4.82 -0.11 0.00 -0.75 0.00 0.00 64.21 58.77 3hqk n SER 76 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hqk s SER 77 N -3.32 0.56 -0.13 -3.46 1.04 -1.23 -2.07 113.70 105.09 3hqk s SER 77 Ca 0.60 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 56.30 3hqk s SER 77 Cb -0.27 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 3hqk s SER 77 CO 0.75 -0.39 -0.11 0.42 0.98 0.00 0.00 173.24 174.89 3hqk s THR 78 N -2.44 3.27 -0.12 2.02 -4.23 0.40 -2.97 115.64 111.58 3hqk s THR 78 Ca -0.04 -0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 59.86 3hqk s THR 78 Cb -0.03 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 3hqk s THR 78 CO -0.04 0.52 -0.05 0.00 -0.54 0.00 0.00 174.62 174.52 3hqk s ALA 79 N 0.28 3.01 0.19 3.99 0.00 -0.76 -0.74 121.76 127.72 3hqk s ALA 79 Ca -0.08 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.15 3hqk s ALA 79 Cb -0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3hqk s ALA 79 CO 0.05 0.37 -0.23 -0.47 0.00 0.00 0.00 175.76 175.47 3hqk s TYR 80 N -0.14 2.32 -0.07 0.00 5.04 0.11 -1.26 117.35 123.34 3hqk s TYR 80 Ca 0.02 -0.35 -0.04 0.00 -2.44 0.00 0.00 57.07 54.26 3hqk s TYR 80 Cb -0.13 -1.16 0.04 0.00 0.35 0.00 0.00 41.96 41.05 3hqk s TYR 80 CO 0.03 0.48 0.17 -1.64 -1.34 0.00 0.00 175.55 173.25 3hqk s MET 81 N -2.62 0.14 -0.27 4.97 -1.94 -1.10 -1.22 119.30 117.26 3hqk s MET 81 Ca 0.20 0.37 -0.09 0.00 -1.71 0.00 0.00 55.69 54.46 3hqk s MET 81 Cb -0.08 -0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.61 3hqk s MET 81 CO 0.10 -0.13 0.14 -0.65 -0.01 0.00 0.00 175.02 174.46 3hqk s GLN 82 N 0.94 3.83 -0.16 2.03 -1.52 -0.42 -1.81 119.66 122.54 3hqk s GLN 82 Ca -0.07 -0.38 -0.18 0.00 -1.95 0.00 0.00 55.36 52.77 3hqk s GLN 82 Cb -0.09 -3.52 -0.15 0.00 -0.22 0.00 0.00 33.01 29.03 3hqk s GLN 82 CO -0.05 -0.18 0.25 1.25 -0.25 0.00 0.00 175.29 176.31 3hqk h LEU 83 N 8.30 0.00 -5.96 2.90 5.85 15.97 -3.10 115.31 139.27 3hqk h LEU 83 Ca -0.36 -0.47 -0.58 0.00 0.84 0.00 0.00 57.88 57.30 3hqk h LEU 83 Cb 1.18 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.80 3hqk h LEU 83 CO 0.56 1.09 -0.72 -1.20 -0.34 0.00 0.00 178.44 177.84 3hqk n SER 84 N -4.56 3.18 -4.37 1.25 7.64 -1.25 -4.64 113.62 110.88 3hqk n SER 84 Ca -0.17 -3.35 -0.33 0.00 1.01 0.00 0.00 58.87 56.03 3hqk n SER 84 Cb 0.46 -0.64 0.14 0.00 -1.01 0.00 0.00 64.21 63.16 3hqk n SER 84 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hqk n SER 85 N 0.67 -2.19 -3.49 6.43 7.64 -1.23 -4.79 113.62 116.66 3hqk n SER 85 Ca 0.28 0.17 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 3hqk n SER 85 Cb 0.44 -1.12 -0.04 0.00 -1.01 0.00 0.00 64.21 62.47 3hqk n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hqk s LEU 86 N -1.17 0.78 0.25 -3.43 1.43 -1.26 -2.69 118.68 112.58 3hqk s LEU 86 Ca 0.57 -1.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.43 3hqk s LEU 86 Cb -0.18 1.55 0.29 0.00 0.03 0.00 0.00 46.19 47.89 3hqk s LEU 86 CO 0.67 -1.25 1.58 0.00 0.23 0.00 0.00 176.35 177.58 3hqk h THR 87 N 2.18 1.42 -0.29 5.49 1.03 -1.97 -2.94 112.91 117.83 3hqk h THR 87 Ca -0.28 -2.08 -0.13 0.00 -0.01 0.00 0.00 66.41 63.90 3hqk h THR 87 Cb 1.24 2.10 -0.01 0.00 -1.07 0.00 0.00 68.15 70.41 3hqk h THR 87 CO 0.39 0.60 -0.35 0.77 -0.01 0.00 0.00 175.52 176.92 3hqk h SER 88 N 0.08 0.68 -0.60 0.00 4.64 -1.97 -3.34 113.55 113.04 3hqk h SER 88 Ca -0.01 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3hqk h SER 88 Cb 1.12 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 3hqk h SER 88 CO 0.09 0.97 0.34 -0.33 -0.87 0.00 0.00 176.83 177.03 3hqk h GLU 89 N 0.54 0.85 -6.51 4.77 4.39 -1.92 -3.42 114.58 113.28 3hqk h GLU 89 Ca 0.06 -0.09 -0.59 0.00 0.34 0.00 0.00 59.36 59.08 3hqk h GLU 89 Cb 0.86 -0.17 0.06 0.00 -0.10 0.00 0.00 28.75 29.40 3hqk h GLU 89 CO 0.07 0.63 0.76 0.27 -1.16 0.00 0.00 179.01 179.58 3hqk n ASN 90 N -4.38 2.98 -4.22 1.42 0.23 -1.25 -4.93 115.26 105.11 3hqk n ASN 90 Ca 0.06 1.09 -0.13 0.00 -0.53 0.00 0.00 54.58 55.07 3hqk n ASN 90 Cb 0.10 -1.42 -0.10 0.00 -2.08 0.00 0.00 39.78 36.28 3hqk n ASN 90 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3hqk s SER 91 N 0.80 1.53 -1.28 0.53 0.01 -1.24 -4.93 113.70 109.12 3hqk s SER 91 Ca 0.77 -1.02 -0.17 0.00 1.31 0.00 0.00 55.95 56.84 3hqk s SER 91 Cb -0.69 0.03 -0.00 0.00 0.21 0.00 0.00 66.02 65.58 3hqk s SER 91 CO 0.40 -0.40 2.06 -0.24 0.41 0.00 0.00 173.24 175.48 3hqk n SER 92 N -0.15 3.76 0.00 2.44 2.88 -0.89 -3.56 113.62 118.10 3hqk n SER 92 Ca -0.11 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 3hqk n SER 92 Cb 0.61 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 3hqk n SER 92 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3hqk n VAL 93 N 5.68 0.00 -4.94 2.46 0.31 -1.23 -4.67 118.33 115.93 3hqk n VAL 93 Ca 0.51 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.54 3hqk n VAL 93 Cb 0.41 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.17 3hqk n VAL 93 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3hqk s TYR 94 N -2.86 2.20 -0.16 3.52 1.51 -0.92 -3.30 117.35 117.33 3hqk s TYR 94 Ca 0.00 -0.91 -0.07 0.00 -1.01 0.00 0.00 57.07 55.08 3hqk s TYR 94 Cb 0.00 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 3hqk s TYR 94 CO 0.00 -0.39 0.07 -0.06 -1.11 0.00 0.00 175.55 174.06 3hqk s PHE 95 N 0.51 3.30 -0.03 2.71 0.08 0.69 -3.17 117.98 122.07 3hqk s PHE 95 Ca -0.16 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.03 3hqk s PHE 95 Cb -0.17 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 3hqk s PHE 95 CO 0.06 0.28 0.16 0.00 -0.10 0.00 0.00 175.22 175.62 3hqk s ALA 97 N -1.26 -1.37 -0.10 0.00 0.00 0.25 0.17 121.76 119.45 3hqk s ALA 97 Ca 0.25 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.77 3hqk s ALA 97 Cb -0.12 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3hqk s ALA 97 CO 0.16 -0.58 -0.20 0.50 0.00 0.00 0.00 175.76 175.64 3hqk s ARG 98 N -2.85 3.07 0.57 0.00 3.52 0.26 -1.04 118.95 122.48 3hqk s ARG 98 Ca -0.03 -0.81 -0.15 0.00 -0.13 0.00 0.00 55.73 54.60 3hqk s ARG 98 Cb -0.00 -2.39 -0.05 0.00 -1.56 0.00 0.00 34.95 30.94 3hqk s ARG 98 CO -0.05 0.24 1.03 -1.17 -0.81 0.00 0.00 175.30 174.53 3hqk s LEU 99 N 0.23 3.51 0.19 -0.88 0.20 -1.26 -0.49 118.68 120.18 3hqk s LEU 99 Ca -0.13 1.67 -0.07 0.00 0.69 0.00 0.00 54.13 56.29 3hqk s LEU 99 Cb -0.16 -4.52 0.11 0.00 -0.43 0.00 0.00 46.19 41.19 3hqk s LEU 99 CO 0.07 -0.92 1.63 -0.78 -0.29 0.00 0.00 176.35 176.05 3hqk h ASP 100 N 0.51 0.95 -4.74 3.68 3.58 -1.86 -3.44 116.42 115.10 3hqk h ASP 100 Ca -0.46 -0.31 -0.21 0.00 0.42 0.00 0.00 57.03 56.46 3hqk h ASP 100 Cb 1.20 -0.26 -0.16 0.00 1.72 0.00 0.00 39.33 41.83 3hqk h ASP 100 CO 0.59 1.07 -0.70 -0.83 -2.88 0.00 0.00 179.24 176.49 3hqk s GLY 101 N -3.70 0.66 -1.42 -0.78 0.00 -1.26 -4.80 107.32 96.02 3hqk s GLY 101 Ca -0.11 -1.21 -0.08 0.00 0.00 0.00 0.00 44.72 43.32 3hqk s GLY 101 CO 0.85 -1.31 0.92 0.70 0.00 0.00 0.00 173.10 174.27 3hqk n ASN 102 N 0.28 -3.70 -0.83 1.64 4.13 -1.26 0.34 115.26 115.86 3hqk n ASN 102 Ca -0.15 -0.75 0.08 0.00 1.68 0.00 0.00 54.58 55.44 3hqk n ASN 102 Cb 0.60 -4.18 0.18 0.00 -1.54 0.00 0.00 39.78 34.84 3hqk n ASN 102 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3hqk n TYR 103 N -4.57 0.52 -0.82 3.10 4.02 -1.26 -5.12 117.16 113.03 3hqk n TYR 103 Ca -0.09 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 3hqk n TYR 103 Cb 0.59 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 3hqk n TYR 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hqk n GLY 104 N 0.88 1.99 2.56 2.72 0.00 0.15 -4.84 105.19 108.66 3hqk n GLY 104 Ca 0.15 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 3hqk n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqk n GLY 105 N 0.00 3.99 3.14 -0.02 0.00 -1.26 -4.86 105.19 106.18 3hqk n GLY 105 Ca 0.00 -2.39 -0.31 0.00 0.00 0.00 0.00 46.02 43.31 3hqk n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hqk s TRP 106 N -1.67 2.47 0.27 1.61 1.48 -1.26 -5.06 118.94 116.77 3hqk s TRP 106 Ca 0.33 -1.21 -0.29 0.00 -1.06 0.00 0.00 56.10 53.87 3hqk s TRP 106 Cb 0.07 -1.70 -0.10 0.00 -1.16 0.00 0.00 33.47 30.59 3hqk s TRP 106 CO -0.10 -0.56 1.36 -0.06 -4.06 0.00 0.00 176.95 173.52 3hqk s PHE 107 N 0.83 3.08 -0.08 1.66 0.08 -1.26 -2.93 117.98 119.36 3hqk s PHE 107 Ca -0.08 1.23 0.04 0.00 0.12 0.00 0.00 56.93 58.24 3hqk s PHE 107 Cb -0.15 -3.72 -0.05 0.00 -0.57 0.00 0.00 43.02 38.53 3hqk s PHE 107 CO -0.01 -2.16 0.11 0.00 -0.10 0.00 0.00 175.22 173.06 3hqk n ALA 108 N 1.73 2.27 -3.73 5.36 0.00 0.36 -4.86 120.51 121.64 3hqk n ALA 108 Ca 0.04 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 3hqk n ALA 108 Cb 0.41 -0.12 -0.17 0.00 0.00 0.00 0.00 19.45 19.57 3hqk n ALA 108 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hqk s TYR 109 N -1.84 0.54 -0.08 0.00 2.02 -0.99 -4.97 117.35 112.03 3hqk s TYR 109 Ca -0.00 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 3hqk s TYR 109 Cb 0.02 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 3hqk s TYR 109 CO 0.15 -0.26 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.21 3hqk s TRP 110 N 1.71 2.93 0.94 2.71 0.52 -1.26 -0.57 118.94 125.91 3hqk s TRP 110 Ca 0.00 -0.06 -0.11 0.00 0.02 0.00 0.00 56.10 55.96 3hqk s TRP 110 Cb -0.13 -1.74 0.16 0.00 -1.15 0.00 0.00 33.47 30.61 3hqk s TRP 110 CO -0.04 0.26 1.11 0.20 0.02 0.00 0.00 176.95 178.50 3hqk s GLY 111 N -0.62 1.65 0.00 0.98 0.00 0.44 -4.90 107.32 104.87 3hqk s GLY 111 Ca 0.09 0.30 0.30 0.00 0.00 0.00 0.00 44.72 45.41 3hqk s GLY 111 CO 0.02 0.78 2.00 0.61 0.00 0.00 0.00 173.10 176.51 3hqk n GLN 112 N -4.23 0.23 0.00 2.90 -0.00 -1.26 -4.71 117.38 110.31 3hqk n GLN 112 Ca 0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 3hqk n GLN 112 Cb 0.53 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.27 3hqk n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hqk n GLY 113 N 1.39 1.69 2.72 2.61 0.00 -1.26 -5.05 105.19 107.28 3hqk n GLY 113 Ca 0.11 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 3hqk n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hqk s THR 114 N -2.96 -0.23 0.21 2.61 2.01 -1.19 -4.60 115.64 111.48 3hqk s THR 114 Ca 0.00 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 3hqk s THR 114 Cb 0.00 -0.56 -0.08 0.00 0.01 0.00 0.00 72.50 71.86 3hqk s THR 114 CO 0.00 -0.16 1.08 -0.55 -0.69 0.00 0.00 174.62 174.30 3hqk s SER 115 N 2.26 7.31 -0.33 3.53 0.15 -1.26 -2.16 113.70 123.19 3hqk s SER 115 Ca 0.05 2.12 -0.01 0.00 0.70 0.00 0.00 55.95 58.81 3hqk s SER 115 Cb -0.15 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 61.66 3hqk s SER 115 CO -0.10 -0.16 0.14 -0.69 1.20 0.00 0.00 173.24 173.63 3hqk s VAL 116 N -0.58 0.69 0.42 4.45 1.01 -1.23 -3.25 120.40 121.91 3hqk s VAL 116 Ca 0.47 -1.48 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 3hqk s VAL 116 Cb -0.30 -1.52 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 3hqk s VAL 116 CO 0.36 -0.75 0.84 -0.89 0.00 0.00 0.00 175.10 174.66 3hqk s THR 117 N 1.46 4.66 -0.41 3.92 2.01 -1.26 -3.64 115.64 122.37 3hqk s THR 117 Ca 0.12 0.94 0.09 0.00 0.31 0.00 0.00 61.69 63.15 3hqk s THR 117 Cb -0.19 -3.69 0.36 0.00 0.01 0.00 0.00 72.50 68.99 3hqk s THR 117 CO -0.21 -0.48 1.05 0.55 -0.69 0.00 0.00 174.62 174.84 3hqk n VAL 118 N -1.11 0.06 -4.09 3.82 3.14 -1.25 -0.74 118.33 118.15 3hqk n VAL 118 Ca 0.04 -2.46 -0.23 0.00 -2.96 0.00 0.00 64.34 58.73 3hqk n VAL 118 Cb 0.54 0.87 -0.06 0.00 -1.06 0.00 0.00 33.84 34.12 3hqk n VAL 118 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3hqk s SER 119 N -1.75 4.64 0.18 6.55 0.15 -1.22 -4.32 113.70 117.92 3hqk s SER 119 Ca 0.27 -0.82 0.24 0.00 0.70 0.00 0.00 55.95 56.34 3hqk s SER 119 Cb 0.34 -0.68 0.32 0.00 -1.71 0.00 0.00 66.02 64.29 3hqk s SER 119 CO -0.06 -0.34 1.34 0.28 1.20 0.00 0.00 173.24 175.66 3hqk h SER 120 N 1.52 0.00 -4.03 5.45 0.02 -1.96 -3.41 113.55 111.15 3hqk h SER 120 Ca -0.43 -0.12 -0.55 0.00 -0.84 0.00 0.00 61.79 59.84 3hqk h SER 120 Cb 1.25 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.96 3hqk h SER 120 CO 0.64 0.06 0.37 0.00 -1.14 0.00 0.00 176.83 176.76 3hqk n ALA 121 N -1.93 0.56 -2.05 3.77 0.00 -1.26 -4.96 120.51 114.64 3hqk n ALA 121 Ca 0.03 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 3hqk n ALA 121 Cb 0.47 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 3hqk n ALA 121 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hqk s LYS 122 N -3.50 4.08 0.63 0.00 2.20 -1.26 -5.02 119.74 116.87 3hqk s LYS 122 Ca 0.79 0.80 -0.18 0.00 -0.36 0.00 0.00 55.97 57.02 3hqk s LYS 122 Cb -0.35 -2.40 -0.05 0.00 -1.51 0.00 0.00 37.83 33.52 3hqk s LYS 122 CO 0.45 0.13 0.82 -2.37 -0.36 0.00 0.00 175.35 174.01 3hqk n THR 123 N -0.35 3.11 -3.75 3.43 5.66 -1.26 -4.46 114.28 116.66 3hqk n THR 123 Ca 0.04 -0.47 -0.10 0.00 -3.05 0.00 0.00 64.05 60.47 3hqk n THR 123 Cb 0.53 -0.99 -0.05 0.00 -1.55 0.00 0.00 70.33 68.27 3hqk n THR 123 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3hqk s THR 124 N -1.65 0.08 0.42 1.09 2.01 -1.26 -4.87 115.64 111.46 3hqk s THR 124 Ca 0.73 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.95 3hqk s THR 124 Cb -0.40 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3hqk s THR 124 CO 0.50 -0.36 0.34 -2.16 -0.69 0.00 0.00 174.62 172.25 3hqk s PRO 125 N -3.85 2.46 0.87 4.92 0.05 -1.26 -4.35 135.00 133.84 3hqk s PRO 125 Ca 0.06 -1.62 -0.12 0.00 0.05 0.00 0.00 61.00 59.37 3hqk s PRO 125 Cb 0.02 -2.29 0.12 0.00 0.05 0.00 0.00 34.50 32.41 3hqk s PRO 125 CO -0.09 -0.20 1.16 -2.14 0.05 0.00 0.00 177.00 175.79 3hqk s PRO 126 N -4.09 1.44 -0.34 0.56 0.02 -1.24 -4.33 135.00 127.02 3hqk s PRO 126 Ca 0.46 0.18 0.01 0.00 0.02 0.00 0.00 61.00 61.67 3hqk s PRO 126 Cb -0.02 -1.88 0.11 0.00 0.02 0.00 0.00 34.50 32.72 3hqk s PRO 126 CO 0.27 -1.97 0.11 -1.12 -0.33 0.00 0.00 177.00 173.96 3hqk s SER 127 N -4.30 4.13 -0.13 2.53 0.01 0.09 -4.96 113.70 111.08 3hqk s SER 127 Ca 0.64 -1.90 -0.23 0.00 1.31 0.00 0.00 55.95 55.77 3hqk s SER 127 Cb -0.13 -1.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 3hqk s SER 127 CO 0.51 -0.39 0.70 -0.69 0.41 0.00 0.00 173.24 173.79 3hqk s VAL 128 N 1.27 5.01 -0.14 3.43 1.01 -1.26 -0.96 120.40 128.76 3hqk s VAL 128 Ca 0.11 1.39 -0.00 0.00 0.00 0.00 0.00 61.98 63.48 3hqk s VAL 128 Cb -0.19 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.20 3hqk s VAL 128 CO -0.18 0.17 -0.08 -0.31 0.00 0.00 0.00 175.10 174.70 3hqk s TYR 129 N 1.37 1.73 0.39 5.22 2.02 -0.86 -4.92 117.35 122.30 3hqk s TYR 129 Ca 0.35 -0.98 -0.26 0.00 -0.37 0.00 0.00 57.07 55.81 3hqk s TYR 129 Cb -0.17 -1.35 -0.11 0.00 -0.40 0.00 0.00 41.96 39.93 3hqk s TYR 129 CO 0.14 -0.59 1.20 -2.30 -1.57 0.00 0.00 175.55 172.43 3hqk n PRO 130 N 4.88 1.80 -3.68 -1.71 -0.02 -1.26 -1.48 135.00 133.52 3hqk n PRO 130 Ca -0.13 0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 3hqk n PRO 130 Cb 0.49 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 3hqk n PRO 130 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hqk s LEU 131 N -1.13 3.75 -0.07 2.45 1.43 -0.52 -4.78 118.68 119.80 3hqk s LEU 131 Ca 0.60 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3hqk s LEU 131 Cb -0.55 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 3hqk s LEU 131 CO 0.59 -0.03 -0.13 0.00 0.23 0.00 0.00 176.35 177.01 3hqk s ALA 132 N 1.64 2.70 0.36 4.21 0.00 -1.26 -3.09 121.76 126.32 3hqk s ALA 132 Ca 0.07 -0.94 -0.28 0.00 0.00 0.00 0.00 51.96 50.80 3hqk s ALA 132 Cb -0.15 -1.08 -0.11 0.00 0.00 0.00 0.00 23.12 21.78 3hqk s ALA 132 CO 0.07 0.47 1.49 -2.14 0.00 0.00 0.00 175.76 175.66 3hqk s PRO 133 N -0.44 4.12 -0.20 0.00 0.02 -1.26 -4.99 135.00 132.25 3hqk s PRO 133 Ca 0.05 2.56 -0.06 0.00 0.02 0.00 0.00 61.00 63.58 3hqk s PRO 133 Cb -0.12 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.39 3hqk s PRO 133 CO 0.02 -0.53 0.02 0.08 -0.33 0.00 0.00 177.00 176.26 3hqk s VAL 134 N -0.98 4.13 0.00 3.83 1.01 -1.26 -4.27 120.40 122.86 3hqk s VAL 134 Ca 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3hqk s VAL 134 Cb -0.46 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3hqk s VAL 134 CO 0.61 0.42 0.00 0.00 0.00 0.00 0.00 175.10 176.13 3hqk s GLY 136 N -1.95 1.15 -0.04 0.00 0.00 -1.26 -4.93 107.32 100.29 3hqk s GLY 136 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3hqk s GLY 136 CO 0.00 -0.29 -0.04 1.22 0.00 0.00 0.00 173.10 174.00 3hqk n ASP 137 N 3.44 3.53 -4.13 1.64 8.00 -1.26 -4.79 116.55 122.99 3hqk n ASP 137 Ca -0.19 -0.02 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 3hqk n ASP 137 Cb 0.53 -0.07 -0.17 0.00 -0.02 0.00 0.00 41.12 41.39 3hqk n ASP 137 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hqk s THR 138 N -2.08 1.79 0.13 -3.53 -4.23 -1.26 -5.01 115.64 101.44 3hqk s THR 138 Ca -0.05 -0.83 -0.23 0.00 -1.18 0.00 0.00 61.69 59.39 3hqk s THR 138 Cb 0.01 -1.59 -0.07 0.00 1.34 0.00 0.00 72.50 72.19 3hqk s THR 138 CO 0.09 0.50 0.71 -0.89 -0.54 0.00 0.00 174.62 174.49 3hqk s THR 139 N 0.80 4.51 0.09 3.99 2.01 -1.26 -4.92 115.64 120.86 3hqk s THR 139 Ca -0.09 1.55 -0.34 0.00 0.31 0.00 0.00 61.69 63.12 3hqk s THR 139 Cb -0.16 -4.06 -0.13 0.00 0.01 0.00 0.00 72.50 68.15 3hqk s THR 139 CO 0.00 0.52 1.65 0.61 -0.69 0.00 0.00 174.62 176.71 3hqk n GLY 140 N 1.71 1.19 7.00 4.40 0.00 -1.26 -4.28 105.19 113.95 3hqk n GLY 140 Ca -0.07 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3hqk n GLY 140 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hqk n SER 141 N 4.29 0.00 -3.80 1.61 7.64 -1.26 -4.71 113.62 117.39 3hqk n SER 141 Ca 0.19 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.77 3hqk n SER 141 Cb 0.28 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.73 3hqk n SER 141 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hqk s SER 142 N -4.00 0.60 -0.27 6.43 1.04 -1.26 -2.57 113.70 113.66 3hqk s SER 142 Ca 0.00 0.72 -0.18 0.00 0.48 0.00 0.00 55.95 56.97 3hqk s SER 142 Cb 0.00 -1.01 0.08 0.00 0.10 0.00 0.00 66.02 65.18 3hqk s SER 142 CO 0.00 -4.33 0.68 -0.69 0.98 0.00 0.00 173.24 169.88 3hqk s VAL 143 N -2.85 -0.00 -0.33 5.02 1.01 0.25 -4.55 120.40 118.95 3hqk s VAL 143 Ca 0.70 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.58 3hqk s VAL 143 Cb -0.11 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3hqk s VAL 143 CO 0.57 0.00 0.17 0.42 0.00 0.00 0.00 175.10 176.26 3hqk s THR 144 N 1.29 4.63 -0.05 3.92 -4.23 -1.26 -2.15 115.64 117.79 3hqk s THR 144 Ca -0.07 -0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.88 3hqk s THR 144 Cb -0.05 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 3hqk s THR 144 CO -0.14 -0.02 0.09 -1.48 -0.54 0.00 0.00 174.62 172.53 3hqk s LEU 145 N 1.60 4.02 0.57 4.79 0.05 -1.04 -4.83 118.68 123.85 3hqk s LEU 145 Ca 0.04 0.25 0.09 0.00 0.05 0.00 0.00 54.13 54.56 3hqk s LEU 145 Cb -0.18 -2.19 0.08 0.00 -2.05 0.00 0.00 46.19 41.85 3hqk s LEU 145 CO 0.07 0.32 0.71 -0.83 -0.55 0.00 0.00 176.35 176.07 3hqk s GLY 146 N -1.44 1.86 -0.15 -3.48 0.00 -1.18 -2.12 107.32 100.81 3hqk s GLY 146 Ca 0.20 -1.97 -0.06 0.00 0.00 0.00 0.00 44.72 42.89 3hqk s GLY 146 CO 0.10 -1.74 0.33 0.00 0.00 0.00 0.00 173.10 171.78 3hqk s LEU 148 N 2.04 4.11 -0.34 0.00 2.96 -0.55 -1.81 118.68 125.09 3hqk s LEU 148 Ca -0.04 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 3hqk s LEU 148 Cb -0.11 -2.98 0.16 0.00 0.50 0.00 0.00 46.19 43.76 3hqk s LEU 148 CO -0.10 -0.26 0.39 0.54 -1.32 0.00 0.00 176.35 175.60 3hqk s VAL 149 N -2.16 -0.46 0.12 1.68 0.11 -0.85 -2.02 120.40 116.81 3hqk s VAL 149 Ca 0.39 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 3hqk s VAL 149 Cb -0.09 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 3hqk s VAL 149 CO 0.32 -0.45 0.20 -0.75 -3.33 0.00 0.00 175.10 171.09 3hqk s LYS 150 N 1.85 3.23 -0.09 1.54 2.20 -0.14 -1.44 119.74 126.90 3hqk s LYS 150 Ca 0.14 -0.63 -0.06 0.00 -0.36 0.00 0.00 55.97 55.06 3hqk s LYS 150 Cb -0.13 -2.88 0.02 0.00 -1.51 0.00 0.00 37.83 33.33 3hqk s LYS 150 CO -0.14 0.54 0.13 0.41 -0.36 0.00 0.00 175.35 175.93 3hqk n GLY 151 N -0.11 -4.15 3.60 5.54 0.00 -1.25 -0.73 105.19 108.09 3hqk n GLY 151 Ca -0.07 0.71 -0.04 0.00 0.00 0.00 0.00 46.02 46.61 3hqk n GLY 151 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hqk s TYR 152 N -0.33 -0.13 0.00 1.61 -0.85 -1.20 -3.66 117.35 112.78 3hqk s TYR 152 Ca -0.14 0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.51 3hqk s TYR 152 Cb 0.01 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.86 3hqk s TYR 152 CO 0.39 -0.20 0.15 0.34 -1.52 0.00 0.00 175.55 174.71 3hqk n PHE 153 N 0.01 0.00 -2.80 -3.49 7.35 -1.26 0.15 117.46 117.42 3hqk n PHE 153 Ca -0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 3hqk n PHE 153 Cb 0.58 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.37 3hqk n PHE 153 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3hqk s PRO 154 N -0.50 3.57 0.16 -7.13 0.02 -1.26 -4.92 135.00 124.95 3hqk s PRO 154 Ca 0.00 0.23 -0.27 0.00 0.02 0.00 0.00 61.00 60.98 3hqk s PRO 154 Cb 0.00 -3.92 0.01 0.00 0.02 0.00 0.00 34.50 30.62 3hqk s PRO 154 CO 0.00 -1.22 1.56 1.49 -0.33 0.00 0.00 177.00 178.50 3hqk h GLU 155 N 9.05 -0.22 -6.32 5.54 4.22 -1.96 -3.44 114.58 121.44 3hqk h GLU 155 Ca -0.24 0.02 -0.55 0.00 0.08 0.00 0.00 59.36 58.67 3hqk h GLU 155 Cb 1.07 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3hqk h GLU 155 CO 1.03 -0.15 0.74 -2.14 -2.18 0.00 0.00 179.01 176.32 3hqk s PRO 156 N -5.79 4.33 0.24 0.92 0.02 -1.26 -5.05 135.00 128.42 3hqk s PRO 156 Ca -0.14 1.75 0.01 0.00 0.02 0.00 0.00 61.00 62.64 3hqk s PRO 156 Cb 0.13 -3.57 -0.00 0.00 0.02 0.00 0.00 34.50 31.07 3hqk s PRO 156 CO 0.65 -0.49 0.05 0.28 -0.33 0.00 0.00 177.00 177.16 3hqk n VAL 157 N 4.65 0.00 -2.81 3.83 0.31 -1.26 -3.92 118.33 119.13 3hqk n VAL 157 Ca 0.12 -1.30 -0.09 0.00 -0.01 0.00 0.00 64.34 63.06 3hqk n VAL 157 Cb 0.45 0.39 0.02 0.00 -0.91 0.00 0.00 33.84 33.79 3hqk n VAL 157 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hqk n THR 158 N -0.58 -0.10 -2.17 2.52 -1.04 -0.68 -4.92 114.28 107.31 3hqk n THR 158 Ca -0.06 -1.63 -0.38 0.00 -2.04 0.00 0.00 64.05 59.93 3hqk n THR 158 Cb 0.34 0.96 -0.00 0.00 -1.82 0.00 0.00 70.33 69.81 3hqk n THR 158 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hqk s VAL 159 N 0.57 2.89 -0.29 12.58 1.01 -1.26 -2.99 120.40 132.92 3hqk s VAL 159 Ca 0.32 0.71 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 3hqk s VAL 159 Cb 0.15 -3.38 0.12 0.00 0.00 0.00 0.00 36.38 33.28 3hqk s VAL 159 CO -0.18 0.03 0.79 -0.89 0.00 0.00 0.00 175.10 174.84 3hqk s THR 160 N -1.43 -0.36 -0.52 3.92 2.01 -1.21 -4.93 115.64 113.12 3hqk s THR 160 Ca 0.62 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.43 3hqk s THR 160 Cb -0.32 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.25 3hqk s THR 160 CO 0.40 0.00 0.66 0.26 -0.69 0.00 0.00 174.62 175.24 3hqk s TRP 161 N 2.05 3.02 -0.90 4.92 0.52 -1.26 0.61 118.94 127.91 3hqk s TRP 161 Ca -0.08 -0.54 -0.00 0.00 0.02 0.00 0.00 56.10 55.50 3hqk s TRP 161 Cb -0.07 -3.62 -0.00 0.00 -1.15 0.00 0.00 33.47 28.63 3hqk s TRP 161 CO -0.18 -1.08 0.75 0.09 0.02 0.00 0.00 176.95 176.54 3hqk n ASN 162 N 6.28 -2.06 -4.04 2.95 4.13 0.25 -2.23 115.26 120.55 3hqk n ASN 162 Ca -0.06 -0.46 -0.32 0.00 1.68 0.00 0.00 54.58 55.42 3hqk n ASN 162 Cb 0.45 -3.96 -0.00 0.00 -1.54 0.00 0.00 39.78 34.73 3hqk n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3hqk n SER 163 N -2.59 -3.31 -2.77 6.41 7.64 -1.26 -2.58 113.62 115.15 3hqk n SER 163 Ca -0.22 -0.91 -0.13 0.00 1.01 0.00 0.00 58.87 58.62 3hqk n SER 163 Cb 0.63 -3.31 0.06 0.00 -1.01 0.00 0.00 64.21 60.58 3hqk n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hqk n GLY 164 N -1.61 -0.14 0.00 0.23 0.00 -1.18 -4.89 105.19 97.59 3hqk n GLY 164 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3hqk n GLY 164 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hqk n SER 165 N -2.40 2.88 -4.44 1.61 7.64 -1.06 -4.72 113.62 113.12 3hqk n SER 165 Ca -0.17 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.27 3hqk n SER 165 Cb 0.61 0.40 -0.02 0.00 -1.01 0.00 0.00 64.21 64.18 3hqk n SER 165 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3hqk s LEU 166 N -2.36 5.28 -0.04 -3.43 0.20 -0.95 -4.76 118.68 112.63 3hqk s LEU 166 Ca 0.00 -2.32 0.09 0.00 0.69 0.00 0.00 54.13 52.59 3hqk s LEU 166 Cb 0.00 -2.37 -0.13 0.00 -0.43 0.00 0.00 46.19 43.26 3hqk s LEU 166 CO 0.00 -0.93 0.13 -1.54 -0.29 0.00 0.00 176.35 173.72 3hqk n SER 167 N 6.01 2.85 -4.79 3.68 3.41 -1.26 -4.25 113.62 119.26 3hqk n SER 167 Ca 0.25 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.57 3hqk n SER 167 Cb 0.48 1.13 0.13 0.00 -0.26 0.00 0.00 64.21 65.68 3hqk n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hqk s SER 168 N -3.50 3.67 -0.39 4.04 0.01 -1.26 -4.09 113.70 112.17 3hqk s SER 168 Ca -0.04 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.13 3hqk s SER 168 Cb 0.05 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.82 3hqk s SER 168 CO 0.38 -2.45 0.00 0.61 0.41 0.00 0.00 173.24 172.19 3hqk n GLY 169 N -2.44 0.35 3.57 3.44 0.00 -1.26 -4.56 105.19 104.29 3hqk n GLY 169 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3hqk n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqk s VAL 170 N -0.99 4.78 -0.16 1.61 0.11 -1.26 -1.85 120.40 122.64 3hqk s VAL 170 Ca 0.00 -0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 3hqk s VAL 170 Cb 0.00 -3.21 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 3hqk s VAL 170 CO 0.00 0.38 -0.04 -1.00 -3.33 0.00 0.00 175.10 171.11 3hqk s HIS 171 N 1.04 3.02 -0.12 1.54 3.76 -0.73 -4.97 115.29 118.83 3hqk s HIS 171 Ca 0.05 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 3hqk s HIS 171 Cb -0.14 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 3hqk s HIS 171 CO 0.03 -0.06 -0.16 0.99 -0.85 0.00 0.00 174.74 174.70 3hqk s THR 172 N 0.41 2.82 -0.08 1.30 2.01 -1.26 -1.84 115.64 118.99 3hqk s THR 172 Ca -0.04 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3hqk s THR 172 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 3hqk s THR 172 CO 0.03 0.54 0.09 -0.36 -0.69 0.00 0.00 174.62 174.22 3hqk s PHE 173 N 0.26 3.39 0.39 4.92 0.08 -1.24 -5.06 117.98 120.72 3hqk s PHE 173 Ca -0.11 0.34 -0.27 0.00 0.12 0.00 0.00 56.93 57.01 3hqk s PHE 173 Cb -0.16 -1.84 -0.10 0.00 -0.57 0.00 0.00 43.02 40.35 3hqk s PHE 173 CO 0.06 0.61 1.45 -2.14 -0.10 0.00 0.00 175.22 175.09 3hqk s PRO 174 N -1.18 4.01 0.37 0.24 0.02 -1.26 -4.45 135.00 132.74 3hqk s PRO 174 Ca 0.17 2.48 -0.28 0.00 0.02 0.00 0.00 61.00 63.39 3hqk s PRO 174 Cb -0.12 -2.89 -0.10 0.00 0.02 0.00 0.00 34.50 31.41 3hqk s PRO 174 CO 0.06 -0.58 1.39 0.00 -0.33 0.00 0.00 177.00 177.55 3hqk s ALA 175 N -1.15 3.48 0.04 -1.55 0.00 -1.26 -4.85 121.76 116.47 3hqk s ALA 175 Ca 0.55 1.40 0.06 0.00 0.00 0.00 0.00 51.96 53.97 3hqk s ALA 175 Cb -0.45 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.11 3hqk s ALA 175 CO 0.60 -0.87 -0.18 0.08 0.00 0.00 0.00 175.76 175.39 3hqk s VAL 176 N -1.15 1.44 -0.03 0.00 1.01 -1.00 -4.94 120.40 115.73 3hqk s VAL 176 Ca 0.52 -1.13 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3hqk s VAL 176 Cb -0.43 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3hqk s VAL 176 CO 0.57 0.11 -0.11 -1.48 0.00 0.00 0.00 175.10 174.19 3hqk s LEU 177 N -1.19 1.86 -0.03 3.92 2.34 -1.26 -0.59 118.68 123.72 3hqk s LEU 177 Ca 0.05 -0.23 0.05 0.00 0.06 0.00 0.00 54.13 54.06 3hqk s LEU 177 Cb -0.08 -0.65 -0.07 0.00 -0.56 0.00 0.00 46.19 44.82 3hqk s LEU 177 CO 0.02 0.10 0.06 0.00 -1.06 0.00 0.00 176.35 175.46 3hqk n GLN 178 N 3.16 1.98 -2.76 1.48 0.00 -1.25 -4.86 117.38 115.13 3hqk n GLN 178 Ca -0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 57.00 56.75 3hqk n GLN 178 Cb 0.54 -1.13 0.02 0.00 0.00 0.00 0.00 30.24 29.67 3hqk n GLN 178 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3hqk n SER 179 N -2.00 -3.31 -3.08 2.61 2.88 -1.26 -4.94 113.62 104.52 3hqk n SER 179 Ca -0.06 -3.00 -0.15 0.00 -1.33 0.00 0.00 58.87 54.34 3hqk n SER 179 Cb 0.46 1.75 -0.02 0.00 -0.75 0.00 0.00 64.21 65.66 3hqk n SER 179 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3hqk n ASP 180 N 2.66 -2.04 -3.64 -3.46 9.92 -1.26 -4.91 116.55 113.82 3hqk n ASP 180 Ca 0.16 -0.07 -0.14 0.00 -0.53 0.00 0.00 54.79 54.21 3hqk n ASP 180 Cb 0.57 -1.80 -0.13 0.00 -0.64 0.00 0.00 41.12 39.12 3hqk n ASP 180 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3hqk s LEU 181 N -5.82 -0.25 -0.24 0.64 1.02 -1.26 -4.52 118.68 108.25 3hqk s LEU 181 Ca 0.25 0.46 -0.29 0.00 0.02 0.00 0.00 54.13 54.57 3hqk s LEU 181 Cb -0.14 0.61 0.00 0.00 0.02 0.00 0.00 46.19 46.68 3hqk s LEU 181 CO 0.31 -0.25 1.15 -0.31 0.02 0.00 0.00 176.35 177.27 3hqk s TYR 182 N 2.39 3.06 -0.01 0.29 2.02 0.40 -3.86 117.35 121.64 3hqk s TYR 182 Ca 0.02 1.19 0.04 0.00 -0.37 0.00 0.00 57.07 57.96 3hqk s TYR 182 Cb -0.12 -3.51 -0.03 0.00 -0.40 0.00 0.00 41.96 37.89 3hqk s TYR 182 CO -0.09 -1.08 -0.13 -0.08 -1.57 0.00 0.00 175.55 172.61 3hqk s THR 183 N 3.54 3.15 -0.09 -0.71 -1.32 0.24 -3.21 115.64 117.24 3hqk s THR 183 Ca 0.49 -0.86 -0.04 0.00 -1.21 0.00 0.00 61.69 60.07 3hqk s THR 183 Cb -0.17 -2.30 0.04 0.00 -1.51 0.00 0.00 72.50 68.57 3hqk s THR 183 CO 0.13 0.47 0.21 -0.22 -2.21 0.00 0.00 174.62 173.00 3hqk s LEU 184 N -1.10 0.53 0.47 9.08 0.20 -0.52 -2.36 118.68 124.97 3hqk s LEU 184 Ca 0.14 0.43 0.08 0.00 0.69 0.00 0.00 54.13 55.47 3hqk s LEU 184 Cb -0.11 0.58 0.02 0.00 -0.43 0.00 0.00 46.19 46.26 3hqk s LEU 184 CO 0.04 -0.16 0.57 -0.44 -0.29 0.00 0.00 176.35 176.06 3hqk s SER 185 N 1.24 5.30 -0.14 3.68 0.01 -1.26 -2.01 113.70 120.51 3hqk s SER 185 Ca -0.09 -0.67 -0.33 0.00 1.31 0.00 0.00 55.95 56.17 3hqk s SER 185 Cb -0.11 -0.32 0.13 0.00 0.21 0.00 0.00 66.02 65.93 3hqk s SER 185 CO -0.08 -0.91 1.11 -0.55 0.41 0.00 0.00 173.24 173.23 3hqk s SER 186 N -4.37 -0.21 0.07 2.44 0.15 -0.75 -3.68 113.70 107.34 3hqk s SER 186 Ca 0.53 0.03 -0.11 0.00 0.70 0.00 0.00 55.95 57.10 3hqk s SER 186 Cb -0.07 0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.47 3hqk s SER 186 CO 0.32 -0.34 0.25 -0.94 1.20 0.00 0.00 173.24 173.73 3hqk s SER 187 N -2.15 -0.02 -0.03 5.45 1.04 -0.77 -1.21 113.70 116.01 3hqk s SER 187 Ca 0.07 -0.39 -0.17 0.00 0.48 0.00 0.00 55.95 55.94 3hqk s SER 187 Cb -0.01 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.49 3hqk s SER 187 CO -0.06 -0.66 0.37 0.54 0.98 0.00 0.00 173.24 174.41 3hqk s VAL 188 N -3.09 0.05 0.02 5.02 0.11 -0.90 -1.78 120.40 119.83 3hqk s VAL 188 Ca -0.01 -0.38 0.07 0.00 -2.93 0.00 0.00 61.98 58.73 3hqk s VAL 188 Cb 0.01 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3hqk s VAL 188 CO -0.07 -0.21 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.39 3hqk s THR 189 N -1.23 1.68 0.16 5.04 2.01 -0.77 -2.49 115.64 120.03 3hqk s THR 189 Ca -0.13 -1.10 -0.20 0.00 0.31 0.00 0.00 61.69 60.58 3hqk s THR 189 Cb -0.04 -1.44 0.05 0.00 0.01 0.00 0.00 72.50 71.08 3hqk s THR 189 CO 0.05 0.30 0.54 0.68 -0.69 0.00 0.00 174.62 175.50 3hqk s VAL 190 N -0.69 0.02 0.28 3.82 -7.23 -0.92 -4.62 120.40 111.07 3hqk s VAL 190 Ca 0.08 -0.34 -0.29 0.00 -1.81 0.00 0.00 61.98 59.61 3hqk s VAL 190 Cb -0.09 -1.20 -0.10 0.00 0.56 0.00 0.00 36.38 35.56 3hqk s VAL 190 CO 0.01 -0.11 1.33 -2.84 -0.31 0.00 0.00 175.10 173.18 3hqk s PRO 191 N -3.79 4.35 0.14 4.82 0.02 -1.26 0.88 135.00 140.15 3hqk s PRO 191 Ca 0.03 2.19 -0.05 0.00 0.02 0.00 0.00 61.00 63.20 3hqk s PRO 191 Cb -0.00 -3.11 0.22 0.00 0.02 0.00 0.00 34.50 31.63 3hqk s PRO 191 CO -0.10 -0.24 0.80 -1.13 -0.33 0.00 0.00 177.00 176.00 3hqk n SER 192 N 1.55 -0.20 0.45 2.53 3.41 -1.06 -0.96 113.62 119.34 3hqk n SER 192 Ca 0.03 0.89 -0.20 0.00 -0.26 0.00 0.00 58.87 59.32 3hqk n SER 192 Cb 0.42 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 3hqk n SER 192 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hqk h SER 193 N 0.00 -1.23 -0.76 4.04 4.64 -1.90 -3.33 113.55 115.02 3hqk h SER 193 Ca 0.24 0.06 0.16 0.00 -0.47 0.00 0.00 61.79 61.78 3hqk h SER 193 Cb 0.37 0.35 -0.11 0.00 -0.31 0.00 0.00 62.40 62.70 3hqk h SER 193 CO -0.53 -0.77 0.24 0.74 -0.87 0.00 0.00 176.83 175.65 3hqk h THR 194 N -1.24 0.57 0.00 2.95 2.02 -1.42 -2.79 112.91 113.01 3hqk h THR 194 Ca -0.11 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3hqk h THR 194 Cb 0.98 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3hqk h THR 194 CO 0.13 0.06 0.00 1.87 0.37 0.00 0.00 175.52 177.95 3hqk n TRP 195 N -5.09 0.00 -0.29 3.16 -0.00 -1.24 -0.05 117.44 113.93 3hqk n TRP 195 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.63 3hqk n TRP 195 Cb 0.46 -0.43 0.01 0.00 -0.00 0.00 0.00 31.31 31.35 3hqk n TRP 195 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3hqk n PRO 196 N -1.80 -0.20 0.01 5.87 -0.02 -1.18 -1.18 135.00 136.50 3hqk n PRO 196 Ca 0.00 1.15 -0.12 0.00 -2.02 0.00 0.00 63.50 62.52 3hqk n PRO 196 Cb 0.00 -1.71 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 3hqk n PRO 196 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3hqk h SER 197 N 0.00 0.06 -1.84 2.55 0.02 -1.41 -3.45 113.55 109.48 3hqk h SER 197 Ca 0.24 -0.13 -0.45 0.00 -0.84 0.00 0.00 61.79 60.61 3hqk h SER 197 Cb 0.42 -0.02 0.05 0.00 0.14 0.00 0.00 62.40 63.00 3hqk h SER 197 CO -0.74 0.17 -0.06 -1.61 -1.14 0.00 0.00 176.83 173.46 3hqk s GLU 198 N -5.68 2.33 -0.98 3.45 8.01 0.93 -5.03 118.70 121.72 3hqk s GLU 198 Ca -0.14 -1.14 -0.02 0.00 0.01 0.00 0.00 54.97 53.68 3hqk s GLU 198 Cb 0.05 -2.54 0.29 0.00 -4.31 0.00 0.00 34.13 27.63 3hqk s GLU 198 CO 0.67 -0.85 1.24 0.25 0.01 0.00 0.00 175.26 176.58 3hqk n THR 199 N -2.35 4.45 -1.67 3.63 -2.24 -1.26 -4.74 114.28 110.11 3hqk n THR 199 Ca 0.11 -5.67 -0.42 0.00 -2.27 0.00 0.00 64.05 55.80 3hqk n THR 199 Cb 0.60 -2.16 -0.03 0.00 -2.10 0.00 0.00 70.33 66.64 3hqk n THR 199 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hqk s VAL 200 N -2.46 3.05 0.07 2.28 1.01 -1.26 -4.95 120.40 118.14 3hqk s VAL 200 Ca 0.33 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.44 3hqk s VAL 200 Cb 0.04 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3hqk s VAL 200 CO 0.04 -0.02 -0.20 0.28 0.00 0.00 0.00 175.10 175.21 3hqk s THR 201 N 6.11 1.59 -0.30 3.92 -1.32 -1.26 -2.61 115.64 121.77 3hqk s THR 201 Ca 0.93 -1.35 -0.05 0.00 -1.21 0.00 0.00 61.69 60.00 3hqk s THR 201 Cb -0.38 -1.43 0.02 0.00 -1.51 0.00 0.00 72.50 69.21 3hqk s THR 201 CO 0.38 0.02 0.06 0.00 -2.21 0.00 0.00 174.62 172.88 3hqk s ASN 203 N 1.42 7.12 0.82 0.00 0.01 0.20 -3.23 114.94 121.28 3hqk s ASN 203 Ca 0.00 -3.24 -0.10 0.00 -0.71 0.00 0.00 52.86 48.81 3hqk s ASN 203 Cb -0.18 -2.22 0.09 0.00 0.41 0.00 0.00 41.25 39.34 3hqk s ASN 203 CO 0.01 -0.42 1.11 -0.69 -1.51 0.00 0.00 177.10 175.60 3hqk s VAL 204 N -0.58 2.92 -0.11 1.60 1.01 -1.17 -3.34 120.40 120.75 3hqk s VAL 204 Ca 0.27 0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 3hqk s VAL 204 Cb -0.10 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.68 3hqk s VAL 204 CO -0.08 -0.39 0.46 0.00 0.00 0.00 0.00 175.10 175.09 3hqk s ALA 205 N -2.83 -1.17 -0.11 5.51 0.00 -1.16 -3.31 121.76 118.70 3hqk s ALA 205 Ca 0.63 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 53.61 3hqk s ALA 205 Cb -0.19 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.58 3hqk s ALA 205 CO 0.57 -0.26 0.01 -1.58 0.00 0.00 0.00 175.76 174.49 3hqk s HIS 206 N -0.47 0.78 0.14 0.00 2.46 -0.13 -1.69 115.29 116.39 3hqk s HIS 206 Ca -0.06 -0.37 -0.13 0.00 0.47 0.00 0.00 55.06 54.97 3hqk s HIS 206 Cb -0.03 -0.88 0.00 0.00 -0.13 0.00 0.00 32.58 31.54 3hqk s HIS 206 CO 0.03 -0.41 1.58 -1.00 -2.47 0.00 0.00 174.74 172.47 3hqk h PRO 207 N 8.30 0.83 -0.54 2.88 0.13 -1.84 -2.35 132.00 139.41 3hqk h PRO 207 Ca -0.19 -0.28 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3hqk h PRO 207 Cb 1.12 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3hqk h PRO 207 CO 0.29 0.89 0.19 0.00 -0.23 0.00 0.00 178.00 179.14 3hqk h ALA 208 N 0.90 0.71 -0.01 -0.56 0.00 -1.88 -2.54 119.26 115.89 3hqk h ALA 208 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hqk h ALA 208 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hqk h ALA 208 CO 0.03 0.35 -0.21 -1.13 0.00 0.00 0.00 179.25 178.29 3hqk n SER 209 N -4.48 0.94 -3.11 0.00 3.41 -1.25 -4.90 113.62 104.24 3hqk n SER 209 Ca 0.02 -0.86 -0.23 0.00 -0.26 0.00 0.00 58.87 57.54 3hqk n SER 209 Cb 0.18 0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3hqk n SER 209 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hqk n SER 210 N -0.66 -5.73 -4.22 4.04 2.88 -0.96 -4.95 113.62 104.03 3hqk n SER 210 Ca 0.13 -0.32 -0.32 0.00 -1.33 0.00 0.00 58.87 57.03 3hqk n SER 210 Cb 0.33 -4.63 -0.16 0.00 -0.75 0.00 0.00 64.21 59.00 3hqk n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3hqk s THR 211 N -3.14 2.20 -0.09 2.46 -4.23 -0.91 -5.03 115.64 106.90 3hqk s THR 211 Ca 0.34 -0.95 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 3hqk s THR 211 Cb -0.15 -1.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.81 3hqk s THR 211 CO 0.41 0.55 -0.23 -0.75 -0.54 0.00 0.00 174.62 174.06 3hqk s LYS 212 N 0.60 2.88 -0.06 3.99 2.47 -1.26 -0.95 119.74 127.40 3hqk s LYS 212 Ca -0.12 -0.85 -0.05 0.00 -1.56 0.00 0.00 55.97 53.40 3hqk s LYS 212 Cb -0.16 -2.21 0.02 0.00 -1.46 0.00 0.00 37.83 34.02 3hqk s LYS 212 CO 0.03 0.20 0.15 0.14 0.16 0.00 0.00 175.35 176.03 3hqk s VAL 213 N 0.29 -0.02 -0.53 4.02 -7.23 -1.21 -5.03 120.40 110.69 3hqk s VAL 213 Ca -0.16 0.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.10 3hqk s VAL 213 Cb -0.17 -0.23 0.16 0.00 0.56 0.00 0.00 36.38 36.70 3hqk s VAL 213 CO 0.08 0.02 0.38 -1.81 -0.31 0.00 0.00 175.10 173.46 3hqk s ASP 214 N 0.44 3.06 0.64 4.85 1.11 -1.26 -3.02 116.67 122.49 3hqk s ASP 214 Ca -0.03 -3.28 -0.17 0.00 0.18 0.00 0.00 52.55 49.25 3hqk s ASP 214 Cb -0.04 -0.97 -0.01 0.00 1.07 0.00 0.00 42.92 42.96 3hqk s ASP 214 CO -0.02 -0.15 1.14 -0.54 1.18 0.00 0.00 175.17 176.78 3hqk s LYS 215 N -0.45 2.83 -0.07 8.23 -0.14 -1.20 -4.86 119.74 124.09 3hqk s LYS 215 Ca 0.27 1.57 -0.01 0.00 -1.36 0.00 0.00 55.97 56.43 3hqk s LYS 215 Cb -0.04 -1.94 -0.03 0.00 -1.68 0.00 0.00 37.83 34.14 3hqk s LYS 215 CO -0.15 -1.25 0.01 0.21 -0.76 0.00 0.00 175.35 173.41 3hqk s LYS 216 N -3.77 2.98 -0.51 1.68 2.20 -1.26 -2.17 119.74 118.89 3hqk s LYS 216 Ca 0.71 -0.43 -0.17 0.00 -0.36 0.00 0.00 55.97 55.72 3hqk s LYS 216 Cb -0.24 -2.80 0.08 0.00 -1.51 0.00 0.00 37.83 33.36 3hqk s LYS 216 CO 0.38 0.69 0.51 0.42 -0.36 0.00 0.00 175.35 176.99 3hqk s ILE 217 N -0.95 5.08 -0.76 5.43 1.01 -1.07 -4.75 121.20 125.20 3hqk s ILE 217 Ca 0.15 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.90 3hqk s ILE 217 Cb -0.11 -4.25 0.05 0.00 0.01 0.00 0.00 42.46 38.15 3hqk s ILE 217 CO 0.04 -0.75 0.69 0.52 0.00 0.00 0.00 174.94 175.44