#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqk s LEU 2 N 0.00 5.13 -0.02 -4.62 1.02 -1.26 -4.96 118.68 113.96 3hqk s LEU 2 Ca 0.00 -1.29 -0.16 0.00 0.02 0.00 0.00 54.13 52.70 3hqk s LEU 2 Cb 0.00 -2.05 -0.05 0.00 0.02 0.00 0.00 46.19 44.11 3hqk s LEU 2 CO 0.00 -0.51 0.44 0.68 0.02 0.00 0.00 176.35 176.98 3hqk s VAL 3 N 1.52 5.03 -0.07 -1.59 -7.23 -1.26 -4.42 120.40 112.38 3hqk s VAL 3 Ca 0.03 0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 61.10 3hqk s VAL 3 Cb -0.22 -3.76 -0.00 0.00 0.56 0.00 0.00 36.38 32.96 3hqk s VAL 3 CO 0.05 0.51 -0.01 0.24 -0.31 0.00 0.00 175.10 175.58 3hqk h MET 4 N 5.19 0.00 -4.34 4.82 2.86 -1.86 -1.20 114.93 120.40 3hqk h MET 4 Ca -0.49 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.09 3hqk h MET 4 Cb 1.21 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.92 3hqk h MET 4 CO 0.65 0.00 -0.22 -2.37 1.06 0.00 0.00 176.91 176.03 3hqk n THR 5 N -3.96 -5.84 -3.76 2.22 5.66 -1.26 -3.49 114.28 103.85 3hqk n THR 5 Ca -0.00 -0.43 -0.34 0.00 -3.05 0.00 0.00 64.05 60.23 3hqk n THR 5 Cb 0.02 -5.20 -0.05 0.00 -1.55 0.00 0.00 70.33 63.54 3hqk n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hqk s GLN 6 N -3.36 3.58 -0.06 1.09 -2.07 -1.26 -3.33 119.66 114.24 3hqk s GLN 6 Ca 0.12 -0.09 -0.05 0.00 -1.82 0.00 0.00 55.36 53.53 3hqk s GLN 6 Cb -0.02 -3.07 0.02 0.00 -1.09 0.00 0.00 33.01 28.86 3hqk s GLN 6 CO 0.41 0.64 0.15 -1.12 -1.32 0.00 0.00 175.29 174.05 3hqk s SER 7 N -1.76 -0.15 0.55 12.60 0.01 -1.04 -4.29 113.70 119.62 3hqk s SER 7 Ca 0.28 0.31 -0.05 0.00 1.31 0.00 0.00 55.95 57.81 3hqk s SER 7 Cb -0.13 0.29 -0.00 0.00 0.21 0.00 0.00 66.02 66.38 3hqk s SER 7 CO 0.17 -0.08 0.85 -2.16 0.41 0.00 0.00 173.24 172.43 3hqk s PRO 8 N 0.34 3.04 0.13 12.44 0.05 -1.26 -1.40 135.00 148.34 3hqk s PRO 8 Ca -0.02 -0.04 -0.23 0.00 0.05 0.00 0.00 61.00 60.76 3hqk s PRO 8 Cb -0.03 -2.33 -0.03 0.00 0.05 0.00 0.00 34.50 32.15 3hqk s PRO 8 CO -0.01 -0.55 1.66 0.00 0.05 0.00 0.00 177.00 178.15 3hqk h ALA 9 N -0.02 -0.12 -3.47 8.56 0.00 -1.82 -3.38 119.26 119.01 3hqk h ALA 9 Ca -0.46 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.21 3hqk h ALA 9 Cb 1.25 0.32 -0.24 0.00 0.00 0.00 0.00 17.79 19.11 3hqk h ALA 9 CO 0.60 -0.63 -0.74 0.42 0.00 0.00 0.00 179.25 178.91 3hqk s ILE 10 N -6.13 0.41 0.21 0.00 -1.09 -1.26 0.97 121.20 114.31 3hqk s ILE 10 Ca -0.14 -0.66 -0.10 0.00 -2.23 0.00 0.00 60.65 57.52 3hqk s ILE 10 Cb 0.10 -0.44 -0.01 0.00 -1.58 0.00 0.00 42.46 40.53 3hqk s ILE 10 CO 0.67 -0.17 0.36 0.00 -1.23 0.00 0.00 174.94 174.56 3hqk s MET 11 N -0.90 1.35 -0.04 2.79 0.23 0.10 -4.91 119.30 117.92 3hqk s MET 11 Ca -0.05 -1.27 -0.08 0.00 -1.03 0.00 0.00 55.69 53.25 3hqk s MET 11 Cb -0.06 0.41 0.01 0.00 -1.53 0.00 0.00 34.83 33.66 3hqk s MET 11 CO 0.00 -0.52 0.19 -1.54 -2.03 0.00 0.00 175.02 171.12 3hqk s SER 12 N -3.02 -0.12 -0.22 -1.18 1.04 -1.26 -0.60 113.70 108.34 3hqk s SER 12 Ca 0.23 0.13 -0.22 0.00 0.48 0.00 0.00 55.95 56.57 3hqk s SER 12 Cb 0.02 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.52 3hqk s SER 12 CO 0.06 -0.24 0.62 0.00 0.98 0.00 0.00 173.24 174.67 3hqk s ALA 13 N -0.66 -1.54 0.23 5.32 0.00 -0.52 -4.88 121.76 119.71 3hqk s ALA 13 Ca -0.08 1.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 3hqk s ALA 13 Cb -0.04 -0.97 -0.09 0.00 0.00 0.00 0.00 23.12 22.02 3hqk s ALA 13 CO 0.01 -0.30 0.96 -1.12 0.00 0.00 0.00 175.76 175.31 3hqk s SER 14 N 0.25 7.59 -0.05 0.00 0.01 -1.26 -2.35 113.70 117.89 3hqk s SER 14 Ca -0.01 1.96 -0.30 0.00 1.31 0.00 0.00 55.95 58.92 3hqk s SER 14 Cb -0.04 -2.61 -0.15 0.00 0.21 0.00 0.00 66.02 63.43 3hqk s SER 14 CO 0.01 0.10 0.84 -2.65 0.41 0.00 0.00 173.24 171.95 3hqk n PRO 15 N 1.63 0.00 -0.15 12.44 -0.02 -1.26 -1.28 135.00 146.36 3hqk n PRO 15 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3hqk n PRO 15 Cb 0.47 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 3hqk n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hqk n GLY 16 N 1.36 1.36 3.81 -1.23 0.00 0.49 -4.86 105.19 106.11 3hqk n GLY 16 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3hqk n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hqk s GLU 17 N -0.47 3.26 -0.12 1.61 2.12 -0.40 -4.41 118.70 120.28 3hqk s GLU 17 Ca 0.00 1.16 -0.16 0.00 0.36 0.00 0.00 54.97 56.33 3hqk s GLU 17 Cb 0.00 -2.03 -0.04 0.00 0.26 0.00 0.00 34.13 32.32 3hqk s GLU 17 CO 0.00 -0.85 0.40 0.21 -0.54 0.00 0.00 175.26 174.48 3hqk s LYS 18 N -4.23 4.27 -0.05 4.30 2.20 -1.18 0.70 119.74 125.76 3hqk s LYS 18 Ca 0.63 0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 56.53 3hqk s LYS 18 Cb -0.16 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 3hqk s LYS 18 CO 0.40 0.23 0.06 0.08 -0.36 0.00 0.00 175.35 175.76 3hqk s VAL 19 N 0.43 4.68 -0.29 4.02 1.01 -0.17 -4.98 120.40 125.10 3hqk s VAL 19 Ca 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 3hqk s VAL 19 Cb -0.14 -3.06 0.13 0.00 0.00 0.00 0.00 36.38 33.30 3hqk s VAL 19 CO 0.08 0.48 0.28 -0.89 0.00 0.00 0.00 175.10 175.05 3hqk s THR 20 N -1.06 -0.36 -0.06 3.92 2.01 -1.26 -1.26 115.64 117.57 3hqk s THR 20 Ca 0.18 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 3hqk s THR 20 Cb -0.12 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 3hqk s THR 20 CO 0.08 -0.50 0.28 0.00 -0.69 0.00 0.00 174.62 173.79 3hqk s MET 21 N 2.29 3.71 0.52 4.92 0.23 -0.92 -4.81 119.30 125.24 3hqk s MET 21 Ca 0.10 0.14 0.08 0.00 -1.03 0.00 0.00 55.69 54.98 3hqk s MET 21 Cb -0.14 -3.22 0.06 0.00 -1.53 0.00 0.00 34.83 30.00 3hqk s MET 21 CO -0.32 0.71 0.71 0.95 -2.03 0.00 0.00 175.02 175.04 3hqk s THR 22 N -0.98 2.51 -0.20 3.16 -4.23 -0.49 -0.71 115.64 114.69 3hqk s THR 22 Ca 0.19 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 3hqk s THR 22 Cb -0.14 -2.53 0.08 0.00 1.34 0.00 0.00 72.50 71.24 3hqk s THR 22 CO 0.09 0.00 0.14 0.00 -0.54 0.00 0.00 174.62 174.30 3hqk n SER 24 N 5.29 -1.11 -3.64 0.00 2.88 -1.21 -1.10 113.62 114.72 3hqk n SER 24 Ca -0.06 -0.98 -0.07 0.00 -1.33 0.00 0.00 58.87 56.43 3hqk n SER 24 Cb 0.48 -0.55 -0.07 0.00 -0.75 0.00 0.00 64.21 63.32 3hqk n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hqk s ALA 25 N -3.30 -2.07 0.10 -1.46 0.00 -1.03 -4.51 121.76 109.49 3hqk s ALA 25 Ca 0.39 1.96 -0.27 0.00 0.00 0.00 0.00 51.96 54.04 3hqk s ALA 25 Cb -0.03 -1.53 -0.11 0.00 0.00 0.00 0.00 23.12 21.45 3hqk s ALA 25 CO 0.29 -0.26 1.65 0.66 0.00 0.00 0.00 175.76 178.10 3hqk h SER 26 N 4.68 -0.65 -3.95 0.00 4.64 -1.48 -3.44 113.55 113.35 3hqk h SER 26 Ca -0.28 0.07 -0.40 0.00 -0.47 0.00 0.00 61.79 60.70 3hqk h SER 26 Cb 1.18 0.23 -0.14 0.00 -0.31 0.00 0.00 62.40 63.36 3hqk h SER 26 CO 0.14 -0.34 -0.61 -0.94 -0.87 0.00 0.00 176.83 174.20 3hqk s SER 27 N -4.79 1.71 0.18 4.97 1.04 -1.26 -5.00 113.70 110.55 3hqk s SER 27 Ca -0.16 -1.38 -0.31 0.00 0.48 0.00 0.00 55.95 54.58 3hqk s SER 27 Cb 0.07 0.05 -0.10 0.00 0.10 0.00 0.00 66.02 66.14 3hqk s SER 27 CO 0.65 -0.68 1.57 -0.55 0.98 0.00 0.00 173.24 175.21 3hqk s SER 28 N -3.39 6.57 0.42 7.02 0.15 -1.26 -4.76 113.70 118.45 3hqk s SER 28 Ca 0.37 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.68 3hqk s SER 28 Cb 0.08 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3hqk s SER 28 CO 0.14 -0.83 0.00 1.33 1.20 0.00 0.00 173.24 175.09 3hqk n VAL 29 N 3.69 0.00 -0.01 4.45 0.24 -1.24 -4.95 118.33 120.51 3hqk n VAL 29 Ca 0.13 -2.01 0.00 0.00 -2.04 0.00 0.00 64.34 60.42 3hqk n VAL 29 Cb 0.38 0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 33.14 3hqk n VAL 29 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3hqk n ASN 30 N -1.27 4.39 -3.78 -1.34 3.02 -1.26 -3.95 115.26 111.07 3hqk n ASN 30 Ca -0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.25 3hqk n ASN 30 Cb 0.54 0.85 -0.12 0.00 -0.61 0.00 0.00 39.78 40.44 3hqk n ASN 30 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hqk s TYR 36 N -2.12 -0.28 0.18 3.10 2.02 -1.26 -4.91 117.35 114.07 3hqk s TYR 36 Ca -0.01 0.68 0.07 0.00 -0.37 0.00 0.00 57.07 57.44 3hqk s TYR 36 Cb 0.01 0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.62 3hqk s TYR 36 CO 0.11 -0.14 0.01 1.41 -1.57 0.00 0.00 175.55 175.37 3hqk s MET 37 N 0.19 2.43 0.00 -0.62 -2.45 -1.26 -4.52 119.30 113.07 3hqk s MET 37 Ca -0.00 -1.10 0.03 0.00 -1.25 0.00 0.00 55.69 53.36 3hqk s MET 37 Cb -0.02 -2.37 -0.01 0.00 1.25 0.00 0.00 34.83 33.68 3hqk s MET 37 CO -0.00 0.45 -0.10 -1.01 1.05 0.00 0.00 175.02 175.41 3hqk s HIS 38 N -1.75 0.87 -0.11 4.11 0.09 0.07 -1.38 115.29 117.19 3hqk s HIS 38 Ca 0.28 -0.22 0.03 0.00 -0.00 0.00 0.00 55.06 55.15 3hqk s HIS 38 Cb -0.09 -0.55 0.01 0.00 -0.00 0.00 0.00 32.58 31.95 3hqk s HIS 38 CO 0.19 -0.01 -0.21 -1.58 -0.00 0.00 0.00 174.74 173.12 3hqk s TRP 39 N -0.42 2.41 -0.05 1.40 0.52 0.30 -0.83 118.94 122.27 3hqk s TRP 39 Ca 0.02 -1.06 0.05 0.00 0.02 0.00 0.00 56.10 55.13 3hqk s TRP 39 Cb -0.05 -1.64 -0.00 0.00 -1.15 0.00 0.00 33.47 30.63 3hqk s TRP 39 CO -0.00 -0.46 -0.19 0.71 0.02 0.00 0.00 176.95 177.03 3hqk s TYR 40 N 0.57 1.86 -0.86 -1.98 2.02 -1.21 0.30 117.35 118.05 3hqk s TYR 40 Ca -0.14 -0.54 -0.06 0.00 -0.37 0.00 0.00 57.07 55.97 3hqk s TYR 40 Cb -0.17 -1.24 0.22 0.00 -0.40 0.00 0.00 41.96 40.36 3hqk s TYR 40 CO 0.04 -0.17 0.76 -1.14 -1.57 0.00 0.00 175.55 173.47 3hqk s GLN 41 N -0.01 3.34 -0.22 -0.62 0.74 0.29 -2.88 119.66 120.29 3hqk s GLN 41 Ca -0.04 -2.93 -0.29 0.00 0.05 0.00 0.00 55.36 52.15 3hqk s GLN 41 Cb -0.12 -4.10 -0.02 0.00 1.10 0.00 0.00 33.01 29.87 3hqk s GLN 41 CO 0.02 -1.24 1.42 -1.14 -0.55 0.00 0.00 175.29 173.80 3hqk s GLN 42 N -0.73 3.98 -0.45 1.67 0.74 -0.80 -3.86 119.66 120.21 3hqk s GLN 42 Ca 0.24 1.56 -0.14 0.00 0.05 0.00 0.00 55.36 57.07 3hqk s GLN 42 Cb -0.12 -3.91 0.06 0.00 1.10 0.00 0.00 33.01 30.15 3hqk s GLN 42 CO -0.09 -1.05 0.34 0.15 -0.55 0.00 0.00 175.29 174.10 3hqk s LYS 43 N 4.14 2.90 -0.57 1.67 1.02 -1.26 -2.08 119.74 125.56 3hqk s LYS 43 Ca 0.62 -1.30 -0.06 0.00 0.02 0.00 0.00 55.97 55.25 3hqk s LYS 43 Cb -0.22 -4.02 0.01 0.00 -0.52 0.00 0.00 37.83 33.08 3hqk s LYS 43 CO 0.23 -0.95 0.61 -1.13 -0.92 0.00 0.00 175.35 173.20 3hqk n SER 44 N 5.13 -7.42 0.00 2.83 3.41 -1.26 -3.51 113.62 112.80 3hqk n SER 44 Ca -0.12 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3hqk n SER 44 Cb 0.44 -5.02 0.00 0.00 -0.26 0.00 0.00 64.21 59.37 3hqk n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hqk n GLY 45 N -1.15 0.68 3.24 5.00 0.00 -1.26 -4.95 105.19 106.75 3hqk n GLY 45 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3hqk n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hqk n THR 46 N 0.00 0.00 -1.88 2.61 -2.24 -1.23 -4.88 114.28 106.66 3hqk n THR 46 Ca 0.00 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 3hqk n THR 46 Cb 0.00 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 3hqk n THR 46 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hqk s SER 47 N -1.93 6.58 0.95 3.42 1.04 -1.26 -4.70 113.70 117.80 3hqk s SER 47 Ca 0.54 2.45 -0.15 0.00 0.48 0.00 0.00 55.95 59.27 3hqk s SER 47 Cb -0.11 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.38 3hqk s SER 47 CO 0.61 -0.95 -0.30 -2.65 0.98 0.00 0.00 173.24 170.93 3hqk n PRO 48 N 6.75 -0.09 -4.23 4.02 -0.02 -1.26 -4.85 135.00 135.32 3hqk n PRO 48 Ca 0.18 -0.01 -0.20 0.00 -2.02 0.00 0.00 63.50 61.45 3hqk n PRO 48 Cb 0.41 -1.34 -0.12 0.00 -0.02 0.00 0.00 33.50 32.44 3hqk n PRO 48 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hqk s LYS 49 N -2.58 0.98 0.05 -0.52 1.02 -1.25 -4.92 119.74 112.52 3hqk s LYS 49 Ca 0.48 -1.12 -0.13 0.00 0.02 0.00 0.00 55.97 55.22 3hqk s LYS 49 Cb -0.21 -1.02 -0.06 0.00 -0.52 0.00 0.00 37.83 36.02 3hqk s LYS 49 CO 0.76 0.22 0.42 -0.98 -0.92 0.00 0.00 175.35 174.85 3hqk s ARG 50 N -2.12 3.86 0.11 1.68 1.04 -1.26 0.10 118.95 122.36 3hqk s ARG 50 Ca 0.04 0.33 0.00 0.00 -1.04 0.00 0.00 55.73 55.06 3hqk s ARG 50 Cb -0.08 -3.10 0.00 0.00 -2.04 0.00 0.00 34.95 29.73 3hqk s ARG 50 CO 0.03 0.62 0.00 0.91 -0.04 0.00 0.00 175.30 176.82 3hqk n TRP 51 N 1.34 -0.78 -4.90 5.89 7.02 0.77 -4.80 117.44 121.99 3hqk n TRP 51 Ca -0.11 0.14 -0.30 0.00 -1.02 0.00 0.00 57.50 56.21 3hqk n TRP 51 Cb 0.52 0.32 -0.17 0.00 -2.42 0.00 0.00 31.31 29.56 3hqk n TRP 51 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3hqk s ILE 52 N -2.00 1.82 0.04 -0.99 -1.09 0.15 -2.27 121.20 116.86 3hqk s ILE 52 Ca 0.00 -0.87 0.04 0.00 -2.23 0.00 0.00 60.65 57.59 3hqk s ILE 52 Cb 0.00 -1.60 -0.02 0.00 -1.58 0.00 0.00 42.46 39.26 3hqk s ILE 52 CO 0.00 0.51 -0.11 -0.72 -1.23 0.00 0.00 174.94 173.38 3hqk s TYR 53 N 0.57 0.99 -0.15 3.97 -0.85 -0.40 0.11 117.35 121.59 3hqk s TYR 53 Ca -0.14 -0.37 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 3hqk s TYR 53 Cb -0.17 -0.59 0.00 0.00 0.38 0.00 0.00 41.96 41.59 3hqk s TYR 53 CO 0.05 0.00 0.00 -0.25 -1.52 0.00 0.00 175.55 173.83 3hqk n ASP 54 N 1.82 -4.04 0.00 -0.18 8.00 -1.24 -1.29 116.55 119.62 3hqk n ASP 54 Ca -0.19 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.34 3hqk n ASP 54 Cb 0.55 -1.66 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 3hqk n ASP 54 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hqk n THR 55 N -2.67 0.00 -1.73 -3.53 -1.04 -0.48 -4.68 114.28 100.15 3hqk n THR 55 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3hqk n THR 55 Cb 0.19 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 3hqk n THR 55 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3hqk n SER 56 N 0.00 0.00 -4.45 8.00 2.88 -1.20 -3.36 113.62 115.49 3hqk n SER 56 Ca 0.00 -1.29 -0.34 0.00 -1.33 0.00 0.00 58.87 55.92 3hqk n SER 56 Cb 0.00 -0.06 -0.13 0.00 -0.75 0.00 0.00 64.21 63.27 3hqk n SER 56 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3hqk s LYS 57 N 0.00 3.57 -0.05 -1.46 3.01 -0.41 -4.76 119.74 119.64 3hqk s LYS 57 Ca 0.00 -0.57 -0.23 0.00 -1.01 0.00 0.00 55.97 54.16 3hqk s LYS 57 Cb 0.00 -2.84 -0.04 0.00 -1.01 0.00 0.00 37.83 33.94 3hqk s LYS 57 CO 0.00 0.20 0.68 -0.51 0.51 0.00 0.00 175.35 176.23 3hqk s LEU 58 N 0.44 4.34 0.00 3.17 1.43 -1.26 -1.27 118.68 125.52 3hqk s LEU 58 Ca -0.05 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.21 3hqk s LEU 58 Cb -0.15 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3hqk s LEU 58 CO 0.03 -0.07 0.07 0.00 0.23 0.00 0.00 176.35 176.61 3hqk n ALA 59 N 3.57 -0.16 0.28 4.21 0.00 -0.96 -4.95 120.51 122.50 3hqk n ALA 59 Ca -0.02 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 3hqk n ALA 59 Cb 0.51 -0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 3hqk n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hqk h SER 60 N -0.78 -1.23 0.23 0.00 4.64 -1.91 -3.27 113.55 111.22 3hqk h SER 60 Ca -0.02 0.10 -0.32 0.00 -0.47 0.00 0.00 61.79 61.07 3hqk h SER 60 Cb 0.07 0.41 0.03 0.00 -0.31 0.00 0.00 62.40 62.60 3hqk h SER 60 CO 0.02 -0.62 -1.47 1.23 -0.87 0.00 0.00 176.83 175.12 3hqk h GLY 61 N -0.93 0.56 -5.96 -0.77 0.00 -1.95 -3.47 103.07 90.55 3hqk h GLY 61 Ca -0.05 -1.43 -0.78 0.00 0.00 0.00 0.00 47.33 45.07 3hqk h GLY 61 CO -0.06 1.25 0.05 -0.62 0.00 0.00 0.00 176.54 177.17 3hqk n VAL 62 N -3.75 0.03 -2.48 4.60 0.31 -1.24 -4.88 118.33 110.94 3hqk n VAL 62 Ca -0.18 -0.01 -0.23 0.00 -0.01 0.00 0.00 64.34 63.91 3hqk n VAL 62 Cb 1.07 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 34.05 3hqk n VAL 62 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3hqk s PRO 63 N -0.02 2.45 0.29 5.55 0.05 -1.26 -4.80 135.00 137.25 3hqk s PRO 63 Ca 0.90 -0.54 0.03 0.00 0.05 0.00 0.00 61.00 61.44 3hqk s PRO 63 Cb -1.26 -2.36 0.70 0.00 0.05 0.00 0.00 34.50 31.62 3hqk s PRO 63 CO 0.57 -0.89 1.72 0.00 0.05 0.00 0.00 177.00 178.44 3hqk h ALA 64 N -0.18 1.45 -1.00 8.56 0.00 -2.01 0.15 119.26 126.23 3hqk h ALA 64 Ca -0.43 0.13 0.33 0.00 0.00 0.00 0.00 54.91 54.94 3hqk h ALA 64 Cb 1.30 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 3hqk h ALA 64 CO 0.56 -0.25 0.55 0.00 0.00 0.00 0.00 179.25 180.11 3hqk h ARG 65 N 0.50 0.28 -7.06 0.00 3.08 -1.94 -3.40 114.38 105.84 3hqk h ARG 65 Ca 0.54 -0.02 -0.50 0.00 0.07 0.00 0.00 59.98 60.08 3hqk h ARG 65 Cb 0.96 -0.06 0.06 0.00 0.08 0.00 0.00 29.97 31.01 3hqk h ARG 65 CO -0.47 0.19 0.43 -0.06 -1.07 0.00 0.00 179.97 178.99 3hqk s PHE 66 N -5.67 2.79 -0.28 3.04 0.08 0.51 -2.55 117.98 115.90 3hqk s PHE 66 Ca -0.10 1.55 -0.24 0.00 0.12 0.00 0.00 56.93 58.26 3hqk s PHE 66 Cb 0.30 -3.26 0.10 0.00 -0.57 0.00 0.00 43.02 39.59 3hqk s PHE 66 CO 0.79 -1.40 0.91 -1.54 -0.10 0.00 0.00 175.22 173.88 3hqk s SER 67 N -1.72 -0.58 0.12 1.36 1.04 -0.90 -4.98 113.70 108.04 3hqk s SER 67 Ca 0.69 1.09 0.08 0.00 0.48 0.00 0.00 55.95 58.29 3hqk s SER 67 Cb -0.23 1.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 3hqk s SER 67 CO 0.27 -0.19 -0.19 -0.83 0.98 0.00 0.00 173.24 173.29 3hqk s GLY 68 N 0.41 1.21 -0.21 7.32 0.00 -1.26 -1.98 107.32 112.80 3hqk s GLY 68 Ca 0.01 -1.28 -0.15 0.00 0.00 0.00 0.00 44.72 43.30 3hqk s GLY 68 CO -0.05 -1.30 0.54 -0.56 0.00 0.00 0.00 173.10 171.73 3hqk s SER 69 N -2.13 -0.64 0.00 1.64 0.01 -0.82 -4.51 113.70 107.25 3hqk s SER 69 Ca 0.08 1.13 -0.28 0.00 1.31 0.00 0.00 55.95 58.19 3hqk s SER 69 Cb -0.08 1.08 0.09 0.00 0.21 0.00 0.00 66.02 67.31 3hqk s SER 69 CO 0.04 -0.20 0.77 -0.83 0.41 0.00 0.00 173.24 173.43 3hqk s GLY 70 N 0.91 -0.50 -0.15 3.44 0.00 -1.26 -0.54 107.32 109.21 3hqk s GLY 70 Ca -0.05 1.14 -0.09 0.00 0.00 0.00 0.00 44.72 45.71 3hqk s GLY 70 CO -0.08 0.58 0.37 -0.45 0.00 0.00 0.00 173.10 173.52 3hqk s SER 71 N -1.96 -0.43 1.17 1.64 0.15 -1.05 -4.93 113.70 108.29 3hqk s SER 71 Ca -0.02 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.41 3hqk s SER 71 Cb -0.01 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 3hqk s SER 71 CO -0.03 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.85 3hqk n GLY 72 N 3.90 3.13 0.13 9.45 0.00 -1.25 -0.93 105.19 119.62 3hqk n GLY 72 Ca -0.21 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 45.83 3hqk n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hqk n THR 73 N 0.00 1.07 -3.95 2.61 -2.24 -1.26 -3.73 114.28 106.78 3hqk n THR 73 Ca 0.00 0.52 -0.31 0.00 -2.27 0.00 0.00 64.05 61.99 3hqk n THR 73 Cb 0.00 -1.48 -0.15 0.00 -2.10 0.00 0.00 70.33 66.60 3hqk n THR 73 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hqk s SER 74 N -3.93 4.54 0.56 3.42 0.15 -0.11 -2.48 113.70 115.86 3hqk s SER 74 Ca 0.01 -2.22 0.07 0.00 0.70 0.00 0.00 55.95 54.51 3hqk s SER 74 Cb 0.07 -1.48 0.06 0.00 -1.71 0.00 0.00 66.02 62.95 3hqk s SER 74 CO 0.24 -0.36 0.56 -0.31 1.20 0.00 0.00 173.24 174.57 3hqk s TYR 75 N 0.83 1.48 -0.30 3.44 2.02 -0.26 -2.52 117.35 122.04 3hqk s TYR 75 Ca 0.12 -0.81 -0.14 0.00 -0.37 0.00 0.00 57.07 55.87 3hqk s TYR 75 Cb -0.20 -2.02 0.15 0.00 -0.40 0.00 0.00 41.96 39.50 3hqk s TYR 75 CO -0.09 -0.76 0.89 -1.12 -1.57 0.00 0.00 175.55 172.90 3hqk s SER 76 N -4.44 -0.74 0.44 2.29 0.01 0.30 -1.60 113.70 109.95 3hqk s SER 76 Ca 0.44 1.02 -0.13 0.00 1.31 0.00 0.00 55.95 58.59 3hqk s SER 76 Cb -0.04 1.83 -0.07 0.00 0.21 0.00 0.00 66.02 67.96 3hqk s SER 76 CO 0.28 -0.14 0.85 -0.22 0.41 0.00 0.00 173.24 174.41 3hqk s LEU 77 N 2.56 3.78 -0.29 2.44 2.96 0.11 -1.95 118.68 128.30 3hqk s LEU 77 Ca -0.04 1.32 -0.15 0.00 -0.22 0.00 0.00 54.13 55.04 3hqk s LEU 77 Cb -0.08 -4.21 0.12 0.00 0.50 0.00 0.00 46.19 42.52 3hqk s LEU 77 CO -0.18 -0.45 0.83 0.42 -1.32 0.00 0.00 176.35 175.65 3hqk s THR 78 N -2.42 -0.18 -0.21 3.68 -4.23 -0.84 -2.16 115.64 109.28 3hqk s THR 78 Ca 0.54 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.00 3hqk s THR 78 Cb -0.10 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.72 3hqk s THR 78 CO 0.30 0.00 0.01 -0.51 -0.54 0.00 0.00 174.62 173.87 3hqk s ILE 79 N 1.78 3.95 0.07 2.99 2.07 -0.39 -2.12 121.20 129.56 3hqk s ILE 79 Ca -0.08 -0.31 -0.35 0.00 -1.41 0.00 0.00 60.65 58.50 3hqk s ILE 79 Cb -0.05 -2.80 -0.19 0.00 0.13 0.00 0.00 42.46 39.55 3hqk s ILE 79 CO -0.18 0.41 1.59 0.77 -1.91 0.00 0.00 174.94 175.62 3hqk h SER 80 N 7.70 -1.10 -3.48 4.50 4.64 -1.77 -0.44 113.55 123.60 3hqk h SER 80 Ca -0.37 0.06 -0.67 0.00 -0.47 0.00 0.00 61.79 60.34 3hqk h SER 80 Cb 1.18 0.32 -0.36 0.00 -0.31 0.00 0.00 62.40 63.23 3hqk h SER 80 CO 0.60 -0.68 -0.82 -0.94 -0.87 0.00 0.00 176.83 174.12 3hqk s SER 81 N -4.26 3.86 0.45 4.97 1.04 -1.25 -3.10 113.70 115.41 3hqk s SER 81 Ca -0.19 -1.02 -0.24 0.00 0.48 0.00 0.00 55.95 54.98 3hqk s SER 81 Cb 0.03 -1.53 -0.08 0.00 0.10 0.00 0.00 66.02 64.55 3hqk s SER 81 CO 0.61 -0.10 1.32 -0.32 0.98 0.00 0.00 173.24 175.73 3hqk s MET 82 N 1.20 3.69 0.12 4.02 1.75 0.22 -4.60 119.30 125.70 3hqk s MET 82 Ca -0.02 2.17 0.02 0.00 -1.25 0.00 0.00 55.69 56.61 3hqk s MET 82 Cb -0.17 -2.57 -0.04 0.00 2.84 0.00 0.00 34.83 34.89 3hqk s MET 82 CO -0.08 -0.72 -0.05 -1.21 -0.65 0.00 0.00 175.02 172.30 3hqk s GLU 83 N -2.50 0.92 0.26 4.11 2.02 -1.26 -0.38 118.70 121.87 3hqk s GLU 83 Ca 0.62 -1.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 3hqk s GLU 83 Cb -0.38 -0.26 0.31 0.00 0.10 0.00 0.00 34.13 33.90 3hqk s GLU 83 CO 0.48 -0.03 1.92 0.00 0.02 0.00 0.00 175.26 177.65 3hqk h ALA 84 N 2.89 1.29 -0.23 5.21 0.00 -1.97 -1.03 119.26 125.43 3hqk h ALA 84 Ca -0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3hqk h ALA 84 Cb 1.18 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hqk h ALA 84 CO 0.64 0.63 0.06 0.93 0.00 0.00 0.00 179.25 181.50 3hqk h GLU 85 N 1.24 0.33 0.00 0.00 3.07 -1.97 -2.16 114.58 115.09 3hqk h GLU 85 Ca 0.33 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3hqk h GLU 85 Cb -0.09 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3hqk h GLU 85 CO -0.07 0.31 0.00 -0.25 -1.40 0.00 0.00 179.01 177.60 3hqk n ASP 86 N -4.40 0.00 0.29 1.42 8.00 -0.39 -4.08 116.55 117.39 3hqk n ASP 86 Ca 0.00 0.21 0.16 0.00 0.71 0.00 0.00 54.79 55.87 3hqk n ASP 86 Cb 0.15 -0.34 0.93 0.00 -0.02 0.00 0.00 41.12 41.84 3hqk n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hqk h ALA 87 N 2.58 1.52 -3.06 2.24 0.00 -1.40 -3.46 119.26 117.68 3hqk h ALA 87 Ca 0.00 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3hqk h ALA 87 Cb 0.15 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.09 3hqk h ALA 87 CO 0.00 -0.05 0.60 0.00 0.00 0.00 0.00 179.25 179.81 3hqk n ALA 88 N -2.30 1.57 -1.76 0.00 0.00 -1.26 -3.73 120.51 113.04 3hqk n ALA 88 Ca -0.02 0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 3hqk n ALA 88 Cb 0.12 -2.36 0.02 0.00 0.00 0.00 0.00 19.45 17.23 3hqk n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hqk s THR 89 N -1.30 2.42 -0.06 0.00 2.01 -0.89 -4.50 115.64 113.33 3hqk s THR 89 Ca 0.73 0.32 0.04 0.00 0.31 0.00 0.00 61.69 63.09 3hqk s THR 89 Cb -0.41 -3.16 -0.00 0.00 0.01 0.00 0.00 72.50 68.94 3hqk s THR 89 CO 0.48 -0.00 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.90 3hqk s TYR 90 N -1.38 1.98 -0.15 4.92 1.51 -0.41 -1.90 117.35 121.92 3hqk s TYR 90 Ca 0.69 -0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 3hqk s TYR 90 Cb -0.36 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 3hqk s TYR 90 CO 0.43 -0.24 -0.11 0.71 -1.11 0.00 0.00 175.55 175.23 3hqk s TYR 91 N 0.14 2.85 0.05 2.71 2.02 -1.14 -0.37 117.35 123.61 3hqk s TYR 91 Ca -0.08 -0.74 -0.28 0.00 -0.37 0.00 0.00 57.07 55.60 3hqk s TYR 91 Cb -0.14 -1.90 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 3hqk s TYR 91 CO 0.04 -0.30 0.87 0.00 -1.57 0.00 0.00 175.55 174.59 3hqk s GLN 93 N 0.23 1.01 -0.03 0.00 1.03 -0.01 0.35 119.66 122.23 3hqk s GLN 93 Ca 0.44 -0.48 0.02 0.00 0.04 0.00 0.00 55.36 55.38 3hqk s GLN 93 Cb -0.21 -0.98 0.01 0.00 0.03 0.00 0.00 33.01 31.85 3hqk s GLN 93 CO 0.26 0.27 -0.09 -1.14 -2.54 0.00 0.00 175.29 172.05 3hqk s GLN 94 N -0.38 1.05 -0.03 9.60 -0.44 -1.14 -0.75 119.66 127.57 3hqk s GLN 94 Ca 0.04 -0.30 0.10 0.00 -2.50 0.00 0.00 55.36 52.70 3hqk s GLN 94 Cb -0.05 -0.96 0.28 0.00 -1.64 0.00 0.00 33.01 30.63 3hqk s GLN 94 CO -0.00 0.09 1.22 1.87 0.50 0.00 0.00 175.29 178.97 3hqk n TRP 95 N 3.42 0.42 -0.30 1.67 -0.00 -1.26 -2.70 117.44 118.69 3hqk n TRP 95 Ca -0.20 -0.58 -0.05 0.00 -0.00 0.00 0.00 57.50 56.68 3hqk n TRP 95 Cb 0.54 -0.08 0.07 0.00 -0.00 0.00 0.00 31.31 31.84 3hqk n TRP 95 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 3hqk h SER 96 N 1.50 1.08 -4.37 5.87 0.02 -1.95 -3.45 113.55 112.26 3hqk h SER 96 Ca 0.00 -0.13 -0.42 0.00 -0.84 0.00 0.00 61.79 60.40 3hqk h SER 96 Cb 0.80 -0.28 -0.24 0.00 0.14 0.00 0.00 62.40 62.83 3hqk h SER 96 CO 0.03 0.90 -0.78 -0.31 -1.14 0.00 0.00 176.83 175.53 3hqk s TYR 97 N -5.72 1.15 0.24 3.45 1.51 -1.26 -5.08 117.35 111.63 3hqk s TYR 97 Ca -0.13 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.26 3hqk s TYR 97 Cb 0.16 -0.68 -0.11 0.00 -0.11 0.00 0.00 41.96 41.23 3hqk s TYR 97 CO 0.83 0.03 1.54 1.21 -1.11 0.00 0.00 175.55 178.05 3hqk s ASN 98 N -1.22 6.53 0.31 2.29 2.47 -1.26 -3.62 114.94 120.43 3hqk s ASN 98 Ca 0.00 2.76 0.07 0.00 0.42 0.00 0.00 52.86 56.11 3hqk s ASN 98 Cb -0.08 -2.62 -0.03 0.00 -1.45 0.00 0.00 41.25 37.07 3hqk s ASN 98 CO 0.01 -0.82 0.26 -2.84 -3.72 0.00 0.00 177.10 169.99 3hqk s PRO 99 N 0.11 2.76 0.21 0.43 0.02 -1.26 -4.34 135.00 132.92 3hqk s PRO 99 Ca 0.65 -1.24 -0.32 0.00 0.02 0.00 0.00 61.00 60.10 3hqk s PRO 99 Cb -0.45 -2.48 -0.14 0.00 0.02 0.00 0.00 34.50 31.45 3hqk s PRO 99 CO 0.41 0.18 1.47 -0.35 -0.33 0.00 0.00 177.00 178.38 3hqk n PRO 100 N -1.31 2.07 -4.65 5.54 -0.04 -1.24 -4.73 135.00 130.64 3hqk n PRO 100 Ca -0.03 0.74 -0.34 0.00 -0.04 0.00 0.00 63.50 63.83 3hqk n PRO 100 Cb 0.59 -2.44 -0.12 0.00 -0.04 0.00 0.00 33.50 31.50 3hqk n PRO 100 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hqk s THR 101 N 0.32 3.61 0.19 0.52 -4.23 -1.10 -4.97 115.64 109.99 3hqk s THR 101 Ca 0.72 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 3hqk s THR 101 Cb -0.67 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 3hqk s THR 101 CO 0.45 0.59 0.34 -0.36 -0.54 0.00 0.00 174.62 175.10 3hqk s PHE 102 N -0.68 3.48 0.58 3.99 0.40 -1.26 -2.87 117.98 121.62 3hqk s PHE 102 Ca 0.10 0.15 -0.08 0.00 -0.60 0.00 0.00 56.93 56.49 3hqk s PHE 102 Cb -0.11 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 3hqk s PHE 102 CO 0.02 0.45 0.94 0.20 0.70 0.00 0.00 175.22 177.52 3hqk s GLY 103 N -3.44 1.59 0.65 4.36 0.00 0.15 -4.13 107.32 106.51 3hqk s GLY 103 Ca 0.36 -0.33 0.39 0.00 0.00 0.00 0.00 44.72 45.14 3hqk s GLY 103 CO 0.29 -0.09 2.27 -1.33 0.00 0.00 0.00 173.10 174.25 3hqk h GLY 104 N -0.16 0.00 0.00 0.20 0.00 -1.87 -3.43 103.07 97.81 3hqk h GLY 104 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3hqk h GLY 104 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 3hqk n GLY 105 N -1.16 0.52 3.01 4.60 0.00 -1.25 -4.99 105.19 105.92 3hqk n GLY 105 Ca -0.02 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 3hqk n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hqk s THR 106 N -2.15 1.37 -0.40 2.61 2.01 0.50 -4.62 115.64 114.95 3hqk s THR 106 Ca 0.00 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 3hqk s THR 106 Cb 0.00 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 71.26 3hqk s THR 106 CO 0.00 0.42 0.27 -0.75 -0.69 0.00 0.00 174.62 173.87 3hqk s LYS 107 N 1.21 2.89 -0.23 4.92 2.20 0.27 -1.29 119.74 129.71 3hqk s LYS 107 Ca -0.03 -1.09 -0.07 0.00 -0.36 0.00 0.00 55.97 54.42 3hqk s LYS 107 Cb -0.14 -3.89 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 3hqk s LYS 107 CO -0.04 -0.77 0.04 -1.17 -0.36 0.00 0.00 175.35 173.06 3hqk s LEU 108 N 1.62 3.37 -0.03 5.43 0.20 -1.24 -0.72 118.68 127.29 3hqk s LEU 108 Ca 0.04 -0.21 0.02 0.00 0.69 0.00 0.00 54.13 54.67 3hqk s LEU 108 Cb -0.20 -1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 3hqk s LEU 108 CO 0.08 -0.00 -0.08 -1.61 -0.29 0.00 0.00 176.35 174.45 3hqk s GLU 109 N 1.42 2.62 0.71 1.98 2.02 0.23 -4.04 118.70 123.64 3hqk s GLU 109 Ca 0.05 -0.65 -0.15 0.00 0.02 0.00 0.00 54.97 54.25 3hqk s GLU 109 Cb -0.15 -2.52 0.03 0.00 0.10 0.00 0.00 34.13 31.59 3hqk s GLU 109 CO 0.02 0.63 1.16 0.96 0.02 0.00 0.00 175.26 178.06 3hqk s ILE 110 N -0.89 2.70 -0.18 -1.63 -5.25 -1.26 -1.43 121.20 113.26 3hqk s ILE 110 Ca 0.14 0.33 -0.01 0.00 -0.99 0.00 0.00 60.65 60.12 3hqk s ILE 110 Cb -0.11 -2.85 -0.00 0.00 2.95 0.00 0.00 42.46 42.44 3hqk s ILE 110 CO 0.04 -0.20 -0.11 -0.75 -1.79 0.00 0.00 174.94 172.13 3hqk s LYS 111 N -4.03 3.30 0.43 0.37 2.20 -0.99 -4.62 119.74 116.40 3hqk s LYS 111 Ca 0.71 -0.69 0.07 0.00 -0.36 0.00 0.00 55.97 55.70 3hqk s LYS 111 Cb -0.25 -2.77 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 3hqk s LYS 111 CO 0.44 -0.04 0.25 -0.98 -0.36 0.00 0.00 175.35 174.66 3hqk s ARG 112 N 1.01 2.31 0.37 4.03 1.70 -1.26 -4.49 118.95 122.62 3hqk s ARG 112 Ca -0.01 -1.79 -0.25 0.00 -0.47 0.00 0.00 55.73 53.21 3hqk s ARG 112 Cb -0.15 -2.09 -0.09 0.00 -0.57 0.00 0.00 34.95 32.05 3hqk s ARG 112 CO -0.02 -0.19 1.06 0.00 -1.08 0.00 0.00 175.30 175.07 3hqk s ALA 113 N -2.59 3.15 0.36 7.88 0.00 -1.26 -4.93 121.76 124.37 3hqk s ALA 113 Ca 0.42 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 52.84 3hqk s ALA 113 Cb 0.01 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 3hqk s ALA 113 CO 0.23 -0.21 1.51 -0.25 0.00 0.00 0.00 175.76 177.04 3hqk n ASP 114 N 0.19 3.80 -4.27 0.00 8.00 -1.26 -4.85 116.55 118.16 3hqk n ASP 114 Ca 0.04 1.21 -0.15 0.00 0.71 0.00 0.00 54.79 56.60 3hqk n ASP 114 Cb 0.49 -1.62 -0.10 0.00 -0.02 0.00 0.00 41.12 39.87 3hqk n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hqk s ALA 115 N -0.93 1.58 -0.10 2.24 0.00 -0.22 -4.91 121.76 119.42 3hqk s ALA 115 Ca 0.55 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3hqk s ALA 115 Cb -0.48 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3hqk s ALA 115 CO 0.61 -0.08 -0.10 0.00 0.00 0.00 0.00 175.76 176.19 3hqk s ALA 116 N -3.28 2.78 0.46 0.00 0.00 -1.26 -2.10 121.76 118.37 3hqk s ALA 116 Ca 0.19 -0.90 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 3hqk s ALA 116 Cb 0.02 -1.21 -0.14 0.00 0.00 0.00 0.00 23.12 21.80 3hqk s ALA 116 CO 0.02 0.40 0.20 -2.30 0.00 0.00 0.00 175.76 174.08 3hqk n PRO 117 N 2.90 0.21 -3.83 0.00 -0.02 -1.26 -4.67 135.00 128.33 3hqk n PRO 117 Ca -0.18 0.08 -0.33 0.00 -2.02 0.00 0.00 63.50 61.05 3hqk n PRO 117 Cb 0.53 -1.23 -0.12 0.00 -0.02 0.00 0.00 33.50 32.66 3hqk n PRO 117 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hqk s THR 118 N -1.73 3.20 0.26 3.45 2.01 -0.53 -4.86 115.64 117.43 3hqk s THR 118 Ca 0.61 -3.17 -0.27 0.00 0.31 0.00 0.00 61.69 59.17 3hqk s THR 118 Cb -0.56 -3.13 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 3hqk s THR 118 CO 0.61 -0.85 0.90 -0.69 -0.69 0.00 0.00 174.62 173.91 3hqk s VAL 119 N -0.23 4.20 0.02 3.82 1.01 -1.26 -2.54 120.40 125.42 3hqk s VAL 119 Ca 0.17 1.89 0.01 0.00 0.00 0.00 0.00 61.98 64.05 3hqk s VAL 119 Cb -0.23 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 3hqk s VAL 119 CO -0.02 0.36 -0.05 -0.44 0.00 0.00 0.00 175.10 174.94 3hqk s SER 120 N -1.36 0.57 0.15 3.32 0.01 -1.22 -4.98 113.70 110.19 3hqk s SER 120 Ca 0.44 -0.34 0.09 0.00 1.31 0.00 0.00 55.95 57.44 3hqk s SER 120 Cb -0.22 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 3hqk s SER 120 CO 0.27 -0.12 -0.20 -0.51 0.41 0.00 0.00 173.24 173.09 3hqk s ILE 121 N -0.87 1.88 -0.00 1.44 2.07 -1.26 -1.07 121.20 123.39 3hqk s ILE 121 Ca -0.06 -1.81 0.00 0.00 -1.41 0.00 0.00 60.65 57.36 3hqk s ILE 121 Cb -0.06 -1.80 0.00 0.00 0.13 0.00 0.00 42.46 40.73 3hqk s ILE 121 CO -0.00 -0.19 -0.00 -0.36 -1.91 0.00 0.00 174.94 172.47 3hqk s PHE 122 N -1.69 0.06 -0.23 3.50 0.08 -0.32 -4.97 117.98 114.41 3hqk s PHE 122 Ca 0.13 0.00 -0.10 0.00 0.12 0.00 0.00 56.93 57.09 3hqk s PHE 122 Cb -0.07 -0.07 -0.05 0.00 -0.57 0.00 0.00 43.02 42.26 3hqk s PHE 122 CO 0.06 -0.01 0.14 -1.25 -0.10 0.00 0.00 175.22 174.06 3hqk s PRO 123 N 0.13 4.03 -0.29 0.24 0.05 -1.26 -1.86 135.00 136.03 3hqk s PRO 123 Ca -0.01 -0.29 -0.27 0.00 0.05 0.00 0.00 61.00 60.48 3hqk s PRO 123 Cb -0.02 -3.49 -0.12 0.00 0.05 0.00 0.00 34.50 30.92 3hqk s PRO 123 CO -0.00 0.06 0.98 -2.30 0.05 0.00 0.00 177.00 175.79 3hqk n PRO 124 N 4.26 0.00 -1.81 0.56 -0.02 -1.20 -4.77 135.00 132.02 3hqk n PRO 124 Ca -0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 3hqk n PRO 124 Cb 0.52 -0.88 -0.00 0.00 -0.02 0.00 0.00 33.50 33.12 3hqk n PRO 124 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hqk s SER 125 N 2.02 6.35 0.17 2.55 1.04 -1.26 -4.74 113.70 119.82 3hqk s SER 125 Ca 0.63 3.05 -0.29 0.00 0.48 0.00 0.00 55.95 59.81 3hqk s SER 125 Cb -0.88 -2.67 -0.04 0.00 0.10 0.00 0.00 66.02 62.53 3hqk s SER 125 CO 0.47 -0.87 1.53 -1.54 0.98 0.00 0.00 173.24 173.80 3hqk n SER 126 N 0.48 -1.01 0.00 7.02 3.41 -1.26 0.28 113.62 122.54 3hqk n SER 126 Ca 0.01 1.76 0.01 0.00 -0.26 0.00 0.00 58.87 60.39 3hqk n SER 126 Cb 0.39 -0.24 0.08 0.00 -0.26 0.00 0.00 64.21 64.17 3hqk n SER 126 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hqk n GLU 127 N -5.26 0.11 -0.10 4.33 0.00 -1.26 0.42 120.64 118.89 3hqk n GLU 127 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.07 3hqk n GLU 127 Cb 0.27 -1.36 -0.13 0.00 0.00 0.00 0.00 31.44 30.23 3hqk n GLU 127 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 3hqk n GLN 128 N -0.86 0.90 -0.08 3.44 7.27 0.14 -3.33 117.38 124.87 3hqk n GLN 128 Ca 0.02 0.05 -0.09 0.00 0.07 0.00 0.00 57.00 57.04 3hqk n GLN 128 Cb 0.01 -1.45 -0.02 0.00 2.41 0.00 0.00 30.24 31.18 3hqk n GLN 128 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3hqk h LEU 129 N 0.00 0.33 -0.77 1.69 -0.00 0.22 -3.07 115.31 113.71 3hqk h LEU 129 Ca -0.49 -0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.31 3hqk h LEU 129 Cb 1.97 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 42.51 3hqk h LEU 129 CO -0.01 0.28 0.34 0.71 -0.00 0.00 0.00 178.44 179.75 3hqk h THR 130 N 0.35 1.25 -2.17 0.22 1.35 -1.40 -3.21 112.91 109.31 3hqk h THR 130 Ca 0.10 -0.75 -0.80 0.00 -0.55 0.00 0.00 66.41 64.41 3hqk h THR 130 Cb 0.01 0.32 -0.26 0.00 -1.73 0.00 0.00 68.15 66.48 3hqk h THR 130 CO -0.02 0.31 1.08 -1.54 -0.25 0.00 0.00 175.52 175.10 3hqk n SER 131 N -4.34 7.41 0.00 5.36 3.41 -1.17 -4.94 113.62 119.36 3hqk n SER 131 Ca 0.07 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.98 3hqk n SER 131 Cb 0.16 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3hqk n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hqk n GLY 132 N -0.08 3.06 2.14 5.00 0.00 -1.21 -4.90 105.19 109.19 3hqk n GLY 132 Ca 0.49 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 3hqk n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hqk n GLY 133 N 0.00 2.10 3.30 -0.02 0.00 -1.17 -3.24 105.19 106.15 3hqk n GLY 133 Ca 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 3hqk n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hqk s ALA 134 N -2.07 -0.99 -0.04 4.61 0.00 -0.47 -3.84 121.76 118.95 3hqk s ALA 134 Ca 0.15 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.04 3hqk s ALA 134 Cb -0.01 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.72 3hqk s ALA 134 CO 0.11 -0.22 -0.07 -1.12 0.00 0.00 0.00 175.76 174.45 3hqk s SER 135 N -0.34 1.15 -0.16 0.00 0.01 -1.24 -0.56 113.70 112.56 3hqk s SER 135 Ca -0.05 -0.18 -0.07 0.00 1.31 0.00 0.00 55.95 56.97 3hqk s SER 135 Cb -0.03 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 3hqk s SER 135 CO 0.02 0.00 0.07 -0.69 0.41 0.00 0.00 173.24 173.06 3hqk s VAL 136 N 0.61 4.88 -0.18 3.43 1.01 0.29 -3.21 120.40 127.23 3hqk s VAL 136 Ca -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 3hqk s VAL 136 Cb -0.13 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.09 3hqk s VAL 136 CO 0.01 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 3hqk s VAL 137 N -0.06 2.52 -0.12 2.92 1.01 -0.78 0.16 120.40 126.04 3hqk s VAL 137 Ca 0.07 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 3hqk s VAL 137 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3hqk s VAL 137 CO 0.01 0.51 0.18 0.00 0.00 0.00 0.00 175.10 175.80 3hqk n PHE 139 N 2.36 2.46 -1.69 0.00 3.01 -0.23 -1.35 117.46 122.02 3hqk n PHE 139 Ca -0.18 -4.00 -0.39 0.00 1.01 0.00 0.00 57.45 53.90 3hqk n PHE 139 Cb 0.54 -0.48 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 3hqk n PHE 139 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3hqk s LEU 140 N -1.96 3.40 -0.13 4.37 1.02 -0.96 -3.40 118.68 121.03 3hqk s LEU 140 Ca 0.37 1.18 0.02 0.00 0.02 0.00 0.00 54.13 55.71 3hqk s LEU 140 Cb 0.13 -2.84 -0.00 0.00 0.02 0.00 0.00 46.19 43.50 3hqk s LEU 140 CO -0.06 -2.48 -0.19 0.20 0.02 0.00 0.00 176.35 173.84 3hqk s ASN 141 N 10.07 3.42 -0.16 2.29 -0.87 -1.05 -0.40 114.94 128.23 3hqk s ASN 141 Ca 0.92 -0.50 -0.01 0.00 -1.57 0.00 0.00 52.86 51.70 3hqk s ASN 141 Cb -0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 41.25 39.53 3hqk s ASN 141 CO 0.28 0.12 0.08 0.59 -2.57 0.00 0.00 177.10 175.60 3hqk n ASN 142 N 3.78 -2.10 -4.90 -1.22 4.13 -0.28 -1.45 115.26 113.23 3hqk n ASN 142 Ca -0.19 -0.04 -0.28 0.00 1.68 0.00 0.00 54.58 55.75 3hqk n ASN 142 Cb 0.52 -0.97 -0.02 0.00 -1.54 0.00 0.00 39.78 37.77 3hqk n ASN 142 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3hqk s PHE 143 N -2.68 3.50 -0.02 3.10 -0.71 -0.82 -4.53 117.98 115.82 3hqk s PHE 143 Ca 0.04 0.77 -0.01 0.00 -1.04 0.00 0.00 56.93 56.69 3hqk s PHE 143 Cb -0.02 -2.23 0.02 0.00 -1.21 0.00 0.00 43.02 39.58 3hqk s PHE 143 CO 0.05 -0.05 0.04 -0.47 -1.34 0.00 0.00 175.22 173.45 3hqk s TYR 144 N -2.40 -0.01 0.36 3.49 6.14 -0.89 0.76 117.35 124.79 3hqk s TYR 144 Ca 0.46 0.14 -0.04 0.00 0.64 0.00 0.00 57.07 58.27 3hqk s TYR 144 Cb -0.10 -0.11 0.08 0.00 0.42 0.00 0.00 41.96 42.24 3hqk s TYR 144 CO 0.36 -0.06 0.49 -0.35 0.64 0.00 0.00 175.55 176.63 3hqk n PRO 145 N 3.69 -0.13 0.15 4.97 -0.04 -1.26 -1.06 135.00 141.33 3hqk n PRO 145 Ca -0.21 -1.00 0.18 0.00 -0.04 0.00 0.00 63.50 62.43 3hqk n PRO 145 Cb 0.55 -0.43 0.66 0.00 -0.04 0.00 0.00 33.50 34.23 3hqk n PRO 145 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3hqk h LYS 146 N 0.00 0.00 -5.54 0.54 3.64 -1.96 -3.41 116.57 109.84 3hqk h LYS 146 Ca -0.16 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.60 3hqk h LYS 146 Cb 0.51 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.20 3hqk h LYS 146 CO 0.14 0.00 0.19 0.34 -2.27 0.00 0.00 179.45 177.85 3hqk s ASP 147 N -4.55 6.48 0.06 4.20 -1.08 -1.26 -4.99 116.67 115.52 3hqk s ASP 147 Ca -0.03 0.31 -0.19 0.00 -0.52 0.00 0.00 52.55 52.11 3hqk s ASP 147 Cb 0.12 -2.34 0.04 0.00 -1.46 0.00 0.00 42.92 39.27 3hqk s ASP 147 CO 0.40 -0.57 0.44 -0.51 0.52 0.00 0.00 175.17 175.44 3hqk s ILE 148 N 2.73 0.05 -0.01 4.11 2.07 -1.26 -4.54 121.20 124.35 3hqk s ILE 148 Ca 0.26 -0.42 0.04 0.00 -1.41 0.00 0.00 60.65 59.11 3hqk s ILE 148 Cb -0.14 -0.98 -0.01 0.00 0.13 0.00 0.00 42.46 41.45 3hqk s ILE 148 CO 0.14 -0.23 -0.12 0.21 -1.91 0.00 0.00 174.94 173.03 3hqk s ASN 149 N -2.10 1.35 0.04 4.50 2.47 -1.17 -5.03 114.94 115.00 3hqk s ASN 149 Ca -0.04 -0.21 -0.27 0.00 0.42 0.00 0.00 52.86 52.75 3hqk s ASN 149 Cb -0.00 -0.15 -0.17 0.00 -1.45 0.00 0.00 41.25 39.48 3hqk s ASN 149 CO -0.04 0.14 1.45 -0.37 -3.72 0.00 0.00 177.10 174.56 3hqk h VAL 150 N 4.85 0.62 -3.59 -5.21 -1.51 -1.87 1.13 116.25 110.67 3hqk h VAL 150 Ca -0.33 -0.30 -0.54 0.00 -1.23 0.00 0.00 66.70 64.30 3hqk h VAL 150 Cb 1.17 0.76 -0.33 0.00 -2.13 0.00 0.00 31.29 30.77 3hqk h VAL 150 CO 0.49 0.06 -0.83 -1.59 -1.23 0.00 0.00 177.57 174.47 3hqk s LYS 151 N -5.38 1.83 0.04 5.19 0.00 0.30 1.01 119.74 122.73 3hqk s LYS 151 Ca -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 55.97 55.30 3hqk s LYS 151 Cb 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 37.83 36.34 3hqk s LYS 151 CO 0.59 0.12 0.00 0.91 0.00 0.00 0.00 175.35 176.97 3hqk n TRP 152 N 3.53 -1.42 -0.04 1.78 7.02 -1.26 -4.62 117.44 122.44 3hqk n TRP 152 Ca -0.21 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.23 3hqk n TRP 152 Cb 0.52 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.37 3hqk n TRP 152 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3hqk n LYS 153 N -0.69 1.24 -3.72 -0.99 4.76 -1.26 -4.02 118.16 113.48 3hqk n LYS 153 Ca 0.00 0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 55.20 3hqk n LYS 153 Cb 0.00 -1.16 0.05 0.00 -1.84 0.00 0.00 35.03 32.09 3hqk n LYS 153 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3hqk n LYS 154 N -2.54 -6.74 -1.89 1.97 4.81 -0.05 -3.55 118.16 110.17 3hqk n LYS 154 Ca -0.12 0.72 -0.42 0.00 -0.87 0.00 0.00 58.31 57.63 3hqk n LYS 154 Cb 0.67 -5.70 -0.02 0.00 0.02 0.00 0.00 35.03 29.99 3hqk n LYS 154 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3hqk s ILE 155 N -3.30 2.37 -1.45 3.15 -4.36 1.34 -1.37 121.20 117.58 3hqk s ILE 155 Ca 0.61 0.31 -0.08 0.00 -0.26 0.00 0.00 60.65 61.23 3hqk s ILE 155 Cb -0.29 -3.19 0.04 0.00 1.25 0.00 0.00 42.46 40.27 3hqk s ILE 155 CO 0.76 0.05 0.70 0.47 0.24 0.00 0.00 174.94 177.16 3hqk n ASP 156 N 2.52 -5.17 0.00 4.36 8.00 0.67 -0.11 116.55 126.82 3hqk n ASP 156 Ca 0.09 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.15 3hqk n ASP 156 Cb 0.39 -4.17 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 3hqk n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hqk n GLY 157 N -1.50 0.77 3.15 0.44 0.00 -0.47 -5.01 105.19 102.57 3hqk n GLY 157 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3hqk n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hqk s SER 158 N -2.55 2.63 0.42 1.61 0.01 0.85 -4.91 113.70 111.75 3hqk s SER 158 Ca 0.00 -0.47 -0.26 0.00 1.31 0.00 0.00 55.95 56.53 3hqk s SER 158 Cb 0.00 -1.20 -0.09 0.00 0.21 0.00 0.00 66.02 64.94 3hqk s SER 158 CO 0.00 0.11 1.34 -1.61 0.41 0.00 0.00 173.24 173.49 3hqk s GLU 159 N 0.49 3.87 0.51 12.44 2.02 -1.26 0.40 118.70 137.18 3hqk s GLU 159 Ca -0.17 2.24 0.08 0.00 0.02 0.00 0.00 54.97 57.15 3hqk s GLU 159 Cb -0.17 -2.72 0.05 0.00 0.10 0.00 0.00 34.13 31.39 3hqk s GLU 159 CO 0.06 -0.60 0.70 0.50 0.02 0.00 0.00 175.26 175.95 3hqk s ARG 160 N -2.31 2.51 0.04 1.61 6.06 -1.26 -4.44 118.95 121.17 3hqk s ARG 160 Ca 0.58 -1.41 0.00 0.00 -2.50 0.00 0.00 55.73 52.40 3hqk s ARG 160 Cb -0.40 -2.68 0.00 0.00 0.06 0.00 0.00 34.95 31.94 3hqk s ARG 160 CO 0.51 -0.63 0.00 0.94 -2.50 0.00 0.00 175.30 173.63 3hqk n GLN 161 N -2.10 0.00 -4.04 5.12 -0.06 -1.26 -3.98 117.38 111.06 3hqk n GLN 161 Ca 0.12 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.84 3hqk n GLN 161 Cb 0.60 -0.07 -0.05 0.00 -4.06 0.00 0.00 30.24 26.66 3hqk n GLN 161 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3hqk s ASN 162 N -4.80 5.71 0.00 1.69 2.20 -1.26 -4.44 114.94 114.04 3hqk s ASN 162 Ca 0.00 -0.02 0.00 0.00 -0.94 0.00 0.00 52.86 51.90 3hqk s ASN 162 Cb 0.00 -1.56 0.00 0.00 -2.00 0.00 0.00 41.25 37.69 3hqk s ASN 162 CO 0.00 0.10 0.00 0.61 -2.94 0.00 0.00 177.10 174.87 3hqk n GLY 163 N -0.09 1.09 3.48 0.45 0.00 -1.26 -5.01 105.19 103.85 3hqk n GLY 163 Ca -0.08 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3hqk n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hqk s VAL 164 N -2.00 3.72 -0.50 1.61 1.01 -1.26 -2.80 120.40 120.19 3hqk s VAL 164 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3hqk s VAL 164 Cb 0.00 -2.61 0.15 0.00 0.00 0.00 0.00 36.38 33.92 3hqk s VAL 164 CO 0.00 0.51 0.31 -0.76 0.00 0.00 0.00 175.10 175.16 3hqk s LEU 165 N 0.25 3.04 -0.04 3.92 1.43 -0.93 -4.96 118.68 121.39 3hqk s LEU 165 Ca -0.04 -2.98 -0.24 0.00 -1.03 0.00 0.00 54.13 49.84 3hqk s LEU 165 Cb -0.14 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 3hqk s LEU 165 CO 0.03 -0.21 0.73 0.20 0.23 0.00 0.00 176.35 177.33 3hqk s ASN 166 N -0.12 7.05 -0.00 2.29 0.01 -1.26 -3.37 114.94 119.54 3hqk s ASN 166 Ca 0.22 1.26 -0.04 0.00 -0.71 0.00 0.00 52.86 53.59 3hqk s ASN 166 Cb -0.16 -2.43 -0.00 0.00 0.41 0.00 0.00 41.25 39.07 3hqk s ASN 166 CO -0.07 -0.10 0.08 -0.94 -1.51 0.00 0.00 177.10 174.56 3hqk s SER 167 N 0.66 0.06 0.27 -1.22 1.04 -0.86 -5.03 113.70 108.63 3hqk s SER 167 Ca 0.39 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.61 3hqk s SER 167 Cb -0.18 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 3hqk s SER 167 CO 0.20 -0.27 0.00 0.79 0.98 0.00 0.00 173.24 174.93 3hqk n TRP 168 N 1.84 0.62 -4.36 5.02 7.02 -1.26 -1.73 117.44 124.59 3hqk n TRP 168 Ca -0.21 -1.36 -0.26 0.00 -1.02 0.00 0.00 57.50 54.65 3hqk n TRP 168 Cb 0.56 -0.17 -0.17 0.00 -2.42 0.00 0.00 31.31 29.11 3hqk n TRP 168 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3hqk s THR 169 N -2.01 1.14 0.07 -0.99 2.01 -1.14 -4.95 115.64 109.76 3hqk s THR 169 Ca 0.01 -0.44 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 3hqk s THR 169 Cb 0.00 -1.07 -0.12 0.00 0.01 0.00 0.00 72.50 71.32 3hqk s THR 169 CO 0.00 0.37 1.58 -0.78 -0.69 0.00 0.00 174.62 175.10 3hqk h ASP 170 N 7.39 0.20 -4.50 3.53 3.58 -1.96 -3.38 116.42 121.28 3hqk h ASP 170 Ca -0.31 -0.20 0.14 0.00 0.42 0.00 0.00 57.03 57.08 3hqk h ASP 170 Cb 1.17 -0.05 -0.17 0.00 1.72 0.00 0.00 39.33 42.00 3hqk h ASP 170 CO 0.46 0.35 0.57 -1.58 -2.88 0.00 0.00 179.24 176.15 3hqk s GLN 171 N -5.40 0.69 0.39 0.28 0.74 -1.26 -4.80 119.66 110.30 3hqk s GLN 171 Ca -0.14 -0.22 -0.04 0.00 0.05 0.00 0.00 55.36 55.01 3hqk s GLN 171 Cb 0.06 0.32 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 3hqk s GLN 171 CO 0.70 -0.29 0.66 0.34 -0.55 0.00 0.00 175.29 176.14 3hqk s ASP 172 N -2.28 6.34 -0.20 6.67 3.68 -0.76 -4.97 116.67 125.15 3hqk s ASP 172 Ca 0.05 0.75 0.13 0.00 2.13 0.00 0.00 52.55 55.62 3hqk s ASP 172 Cb -0.01 -2.17 -0.23 0.00 -1.45 0.00 0.00 42.92 39.06 3hqk s ASP 172 CO -0.07 -0.39 0.07 -0.24 0.13 0.00 0.00 175.17 174.67 3hqk n SER 173 N -1.72 0.56 0.07 -0.34 2.88 -1.26 -3.44 113.62 110.37 3hqk n SER 173 Ca -0.01 0.02 0.11 0.00 -1.33 0.00 0.00 58.87 57.66 3hqk n SER 173 Cb 0.55 0.55 -0.05 0.00 -0.75 0.00 0.00 64.21 64.51 3hqk n SER 173 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3hqk n LYS 174 N -2.91 0.61 0.00 -1.46 5.02 -1.26 -4.55 118.16 113.61 3hqk n LYS 174 Ca -0.34 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 3hqk n LYS 174 Cb 1.11 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 3hqk n LYS 174 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hqk n ASP 175 N -2.54 3.35 0.00 4.39 3.85 -1.26 -5.06 116.55 119.28 3hqk n ASP 175 Ca -0.01 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.07 3hqk n ASP 175 Cb 0.55 0.43 0.00 0.00 -1.35 0.00 0.00 41.12 40.75 3hqk n ASP 175 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3hqk n SER 176 N -1.36 0.00 -4.89 -1.12 7.64 -1.22 -5.00 113.62 107.67 3hqk n SER 176 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 3hqk n SER 176 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3hqk n SER 176 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hqk s THR 177 N -3.14 4.81 0.71 0.44 -4.23 -1.26 -4.27 115.64 108.70 3hqk s THR 177 Ca 0.00 0.49 -0.06 0.00 -1.18 0.00 0.00 61.69 60.95 3hqk s THR 177 Cb 0.00 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 70.06 3hqk s THR 177 CO 0.00 -0.98 1.01 -0.31 -0.54 0.00 0.00 174.62 173.80 3hqk s TYR 178 N -2.94 2.58 0.21 3.99 1.51 0.23 -1.82 117.35 121.11 3hqk s TYR 178 Ca 0.51 0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 56.74 3hqk s TYR 178 Cb -0.11 -3.20 -0.01 0.00 -0.11 0.00 0.00 41.96 38.53 3hqk s TYR 178 CO 0.49 -1.51 0.33 -1.12 -1.11 0.00 0.00 175.55 172.63 3hqk s SER 179 N -4.58 0.01 -0.24 2.29 0.01 -1.26 -1.12 113.70 108.80 3hqk s SER 179 Ca 0.62 -1.01 -0.16 0.00 1.31 0.00 0.00 55.95 56.71 3hqk s SER 179 Cb -0.09 0.49 0.07 0.00 0.21 0.00 0.00 66.02 66.70 3hqk s SER 179 CO 0.45 -0.99 0.61 -0.32 0.41 0.00 0.00 173.24 173.40 3hqk s MET 180 N -4.03 0.64 -0.15 12.44 1.75 0.46 -2.90 119.30 127.51 3hqk s MET 180 Ca 0.24 1.05 -0.08 0.00 -1.25 0.00 0.00 55.69 55.65 3hqk s MET 180 Cb 0.02 0.15 -0.04 0.00 2.84 0.00 0.00 34.83 37.80 3hqk s MET 180 CO 0.07 -0.14 0.13 -1.12 -0.65 0.00 0.00 175.02 173.31 3hqk s SER 181 N 1.28 6.25 -0.02 1.11 0.01 -0.71 -2.25 113.70 119.37 3hqk s SER 181 Ca -0.08 0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.59 3hqk s SER 181 Cb -0.06 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.12 3hqk s SER 181 CO -0.14 0.33 -0.16 -0.55 0.41 0.00 0.00 173.24 173.13 3hqk s SER 182 N -0.53 1.93 -0.05 2.44 0.15 -0.45 -2.02 113.70 115.17 3hqk s SER 182 Ca 0.12 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 3hqk s SER 182 Cb -0.12 -0.35 0.03 0.00 -1.71 0.00 0.00 66.02 63.87 3hqk s SER 182 CO 0.02 0.17 0.01 0.28 1.20 0.00 0.00 173.24 174.93 3hqk s THR 183 N -0.19 0.18 -0.74 6.45 -1.32 -1.22 0.50 115.64 119.30 3hqk s THR 183 Ca 0.02 0.18 -0.16 0.00 -1.21 0.00 0.00 61.69 60.52 3hqk s THR 183 Cb -0.08 -0.33 0.17 0.00 -1.51 0.00 0.00 72.50 70.74 3hqk s THR 183 CO 0.00 0.19 0.75 -0.22 -2.21 0.00 0.00 174.62 173.14 3hqk s LEU 184 N 1.61 6.16 -0.02 9.08 2.96 0.42 -2.19 118.68 136.70 3hqk s LEU 184 Ca -0.01 -2.19 -0.03 0.00 -0.22 0.00 0.00 54.13 51.68 3hqk s LEU 184 Cb -0.13 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3hqk s LEU 184 CO -0.03 -0.80 0.16 -0.89 -1.32 0.00 0.00 176.35 173.47 3hqk s THR 185 N 1.27 5.31 0.00 3.68 2.01 -1.12 0.10 115.64 126.89 3hqk s THR 185 Ca 0.16 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.98 3hqk s THR 185 Cb -0.16 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.89 3hqk s THR 185 CO -0.04 0.35 0.00 0.18 -0.69 0.00 0.00 174.62 174.42 3hqk n LEU 186 N 1.07 0.00 -4.46 4.42 4.77 0.27 -4.75 117.00 118.32 3hqk n LEU 186 Ca -0.12 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.47 3hqk n LEU 186 Cb 0.53 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 3hqk n LEU 186 CO 0.42 0.00 0.04 0.41 -1.33 0.00 0.00 177.39 176.92 3hqk n THR 187 N 0.00 2.03 -0.24 -5.08 -1.04 -1.26 -1.37 114.28 107.32 3hqk n THR 187 Ca 0.00 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.45 3hqk n THR 187 Cb 0.00 -0.63 0.08 0.00 -1.82 0.00 0.00 70.33 67.96 3hqk n THR 187 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3hqk h LYS 188 N 0.37 1.09 -0.53 -2.82 1.63 -1.85 -3.25 116.57 111.20 3hqk h LYS 188 Ca -0.44 -0.24 -0.04 0.00 -0.85 0.00 0.00 60.65 59.07 3hqk h LYS 188 Cb 1.40 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 3hqk h LYS 188 CO 0.48 0.94 0.15 -0.44 -3.45 0.00 0.00 179.45 177.13 3hqk h ASP 189 N 1.04 0.74 -0.69 4.20 5.19 -1.90 -3.24 116.42 121.75 3hqk h ASP 189 Ca 0.22 -0.12 0.07 0.00 -0.62 0.00 0.00 57.03 56.58 3hqk h ASP 189 Cb 0.33 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.59 3hqk h ASP 189 CO -0.00 0.71 0.38 -0.33 -3.12 0.00 0.00 179.24 176.88 3hqk h GLU 190 N 0.78 0.67 -7.38 3.56 4.39 -1.93 -1.63 114.58 113.04 3hqk h GLU 190 Ca 0.18 -0.04 -0.44 0.00 0.34 0.00 0.00 59.36 59.40 3hqk h GLU 190 Cb 0.25 -0.15 0.17 0.00 -0.10 0.00 0.00 28.75 28.92 3hqk h GLU 190 CO -0.01 0.44 0.17 -0.47 -1.16 0.00 0.00 179.01 177.98 3hqk s TYR 191 N -6.09 1.47 0.00 4.33 5.04 -1.23 -0.75 117.35 120.13 3hqk s TYR 191 Ca -0.13 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 3hqk s TYR 191 Cb 0.17 -3.35 0.00 0.00 0.35 0.00 0.00 41.96 39.13 3hqk s TYR 191 CO 0.76 -3.31 0.00 0.39 -1.34 0.00 0.00 175.55 172.05 3hqk n GLU 192 N -4.42 0.00 0.28 4.97 1.02 -1.26 -3.16 120.64 118.07 3hqk n GLU 192 Ca 0.08 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.38 3hqk n GLU 192 Cb 0.58 0.00 0.90 0.00 -0.02 0.00 0.00 31.44 32.91 3hqk n GLU 192 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3hqk h ARG 193 N 0.00 0.00 -5.98 3.49 9.65 -0.93 -3.39 114.38 117.22 3hqk h ARG 193 Ca 0.00 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.34 3hqk h ARG 193 Cb 0.00 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 28.35 3hqk h ARG 193 CO 0.00 0.00 -0.82 -1.01 2.80 0.00 0.00 179.97 180.94 3hqk s HIS 194 N -4.63 1.68 0.00 2.20 3.76 0.07 -5.05 115.29 113.33 3hqk s HIS 194 Ca -0.05 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 3hqk s HIS 194 Cb 0.15 -0.96 0.00 0.00 1.11 0.00 0.00 32.58 32.88 3hqk s HIS 194 CO 0.54 0.14 0.62 -1.71 -0.85 0.00 0.00 174.74 173.49 3hqk n ASN 195 N 1.43 1.00 -4.12 1.40 5.15 -1.26 -4.75 115.26 114.12 3hqk n ASN 195 Ca -0.19 -1.39 -0.34 0.00 -0.60 0.00 0.00 54.58 52.06 3hqk n ASN 195 Cb 0.54 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.65 3hqk n ASN 195 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3hqk s SER 196 N -0.39 4.97 -0.23 1.20 0.15 -1.26 -3.72 113.70 114.42 3hqk s SER 196 Ca 0.00 -1.71 -0.00 0.00 0.70 0.00 0.00 55.95 54.93 3hqk s SER 196 Cb 0.00 -1.73 0.03 0.00 -1.71 0.00 0.00 66.02 62.61 3hqk s SER 196 CO 0.00 -0.38 -0.10 -0.31 1.20 0.00 0.00 173.24 173.65 3hqk s TYR 197 N 1.14 3.02 0.11 3.44 4.12 -0.98 0.24 117.35 128.44 3hqk s TYR 197 Ca 0.02 -1.65 0.07 0.00 0.02 0.00 0.00 57.07 55.53 3hqk s TYR 197 Cb -0.21 -2.01 -0.04 0.00 -1.52 0.00 0.00 41.96 38.19 3hqk s TYR 197 CO -0.04 -0.76 -0.16 0.95 0.02 0.00 0.00 175.55 175.56 3hqk s THR 198 N 1.29 1.44 -0.10 -0.71 -4.23 -1.23 -1.76 115.64 110.35 3hqk s THR 198 Ca 0.00 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 3hqk s THR 198 Cb -0.16 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.24 3hqk s THR 198 CO -0.07 -0.26 -0.08 0.00 -0.54 0.00 0.00 174.62 173.67 3hqk s GLU 200 N 1.42 3.56 -0.25 0.00 2.02 -1.23 -3.46 118.70 120.76 3hqk s GLU 200 Ca -0.01 -0.20 -0.02 0.00 0.02 0.00 0.00 54.97 54.77 3hqk s GLU 200 Cb -0.13 -2.90 0.08 0.00 0.10 0.00 0.00 34.13 31.27 3hqk s GLU 200 CO -0.05 0.51 0.07 0.00 0.02 0.00 0.00 175.26 175.81 3hqk s ALA 201 N -1.62 1.19 -0.61 5.21 0.00 6.80 0.11 121.76 132.84 3hqk s ALA 201 Ca 0.39 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 3hqk s ALA 201 Cb -0.12 -1.39 0.11 0.00 0.00 0.00 0.00 23.12 21.72 3hqk s ALA 201 CO 0.26 -1.43 0.69 0.95 0.00 0.00 0.00 175.76 176.23 3hqk s THR 202 N 1.78 4.92 0.18 0.00 -4.23 0.39 -1.89 115.64 116.79 3hqk s THR 202 Ca 0.04 -1.17 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 3hqk s THR 202 Cb -0.17 -4.48 -0.03 0.00 1.34 0.00 0.00 72.50 69.16 3hqk s THR 202 CO -0.18 -1.10 0.27 -2.28 -0.54 0.00 0.00 174.62 170.78 3hqk s HIS 203 N 2.39 3.39 0.42 3.99 2.46 -1.26 -3.05 115.29 123.63 3hqk s HIS 203 Ca 0.11 0.05 0.09 0.00 0.47 0.00 0.00 55.06 55.78 3hqk s HIS 203 Cb -0.24 -1.60 0.89 0.00 -0.13 0.00 0.00 32.58 31.51 3hqk s HIS 203 CO 0.04 0.50 2.02 1.57 -2.47 0.00 0.00 174.74 176.40 3hqk h LYS 204 N 1.94 0.35 -0.87 2.88 2.10 -1.94 -2.99 116.57 118.03 3hqk h LYS 204 Ca -0.49 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.14 3hqk h LYS 204 Cb 1.21 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 32.42 3hqk h LYS 204 CO 0.65 0.31 0.56 1.79 -2.00 0.00 0.00 179.45 180.77 3hqk h THR 205 N 0.35 1.17 -3.31 0.07 1.35 -1.89 -3.40 112.91 107.25 3hqk h THR 205 Ca 0.09 -0.38 -0.68 0.00 -0.55 0.00 0.00 66.41 64.89 3hqk h THR 205 Cb 0.10 -0.05 -0.33 0.00 -1.73 0.00 0.00 68.15 66.15 3hqk h THR 205 CO -0.01 0.20 -0.88 -0.55 -0.25 0.00 0.00 175.52 174.04 3hqk s SER 206 N -5.92 3.08 0.54 5.36 0.15 -1.13 -4.98 113.70 110.80 3hqk s SER 206 Ca -0.13 -0.57 0.33 0.00 0.70 0.00 0.00 55.95 56.29 3hqk s SER 206 Cb 0.17 -1.41 1.38 0.00 -1.71 0.00 0.00 66.02 64.45 3hqk s SER 206 CO 0.80 0.14 1.98 0.71 1.20 0.00 0.00 173.24 178.07 3hqk h THR 207 N 5.74 0.00 -3.53 6.45 1.35 -1.78 -3.39 112.91 117.75 3hqk h THR 207 Ca -0.22 -0.48 -0.61 0.00 -0.55 0.00 0.00 66.41 64.55 3hqk h THR 207 Cb 1.23 1.46 -0.12 0.00 -1.73 0.00 0.00 68.15 68.99 3hqk h THR 207 CO 0.49 0.00 0.05 -0.94 -0.25 0.00 0.00 175.52 174.87 3hqk s SER 208 N -5.59 6.50 0.52 5.36 1.04 -1.26 -5.01 113.70 115.27 3hqk s SER 208 Ca 0.01 0.61 -0.18 0.00 0.48 0.00 0.00 55.95 56.87 3hqk s SER 208 Cb 0.09 -2.30 -0.13 0.00 0.10 0.00 0.00 66.02 63.78 3hqk s SER 208 CO 0.53 -0.31 0.13 -2.65 0.98 0.00 0.00 173.24 171.92 3hqk n PRO 209 N 5.55 0.19 -3.74 4.02 -0.02 -1.26 -4.86 135.00 134.88 3hqk n PRO 209 Ca -0.03 0.08 -0.37 0.00 -2.02 0.00 0.00 63.50 61.16 3hqk n PRO 209 Cb 0.49 -1.27 -0.12 0.00 -0.02 0.00 0.00 33.50 32.59 3hqk n PRO 209 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hqk s ILE 210 N -1.89 4.30 -0.03 4.25 1.01 -0.79 -4.91 121.20 123.15 3hqk s ILE 210 Ca 0.61 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 61.03 3hqk s ILE 210 Cb -0.48 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 3hqk s ILE 210 CO 0.61 0.25 -0.25 -0.69 0.00 0.00 0.00 174.94 174.86 3hqk s VAL 211 N 1.60 1.99 0.12 2.92 1.01 -1.26 -2.81 120.40 123.96 3hqk s VAL 211 Ca 0.05 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 61.05 3hqk s VAL 211 Cb -0.16 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3hqk s VAL 211 CO 0.04 0.56 -0.18 -0.54 0.00 0.00 0.00 175.10 174.98 3hqk s LYS 212 N -0.45 1.12 0.12 2.72 -0.14 -1.22 -5.05 119.74 116.85 3hqk s LYS 212 Ca 0.05 -1.23 -0.11 0.00 -1.36 0.00 0.00 55.97 53.32 3hqk s LYS 212 Cb -0.11 -1.23 0.01 0.00 -1.68 0.00 0.00 37.83 34.81 3hqk s LYS 212 CO 0.00 0.27 0.29 0.45 -0.76 0.00 0.00 175.35 175.60 3hqk s SER 213 N -2.22 -0.01 -0.04 2.83 0.15 -1.26 -2.32 113.70 110.83 3hqk s SER 213 Ca 0.09 -0.62 -0.07 0.00 0.70 0.00 0.00 55.95 56.05 3hqk s SER 213 Cb -0.08 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.66 3hqk s SER 213 CO 0.05 -0.82 0.17 0.12 1.20 0.00 0.00 173.24 173.96 3hqk s PHE 214 N -3.88 -0.11 0.05 3.44 5.36 -0.72 -4.99 117.98 117.12 3hqk s PHE 214 Ca 0.08 0.25 0.02 0.00 -0.96 0.00 0.00 56.93 56.32 3hqk s PHE 214 Cb 0.03 0.03 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 3hqk s PHE 214 CO -0.08 -0.18 -0.08 -0.80 -1.46 0.00 0.00 175.22 172.62 3hqk s ASN 215 N -0.53 0.92 0.00 6.13 0.01 -1.26 -2.31 114.94 117.90 3hqk s ASN 215 Ca -0.06 -0.57 0.25 0.00 -0.71 0.00 0.00 52.86 51.77 3hqk s ASN 215 Cb -0.04 0.03 0.45 0.00 0.41 0.00 0.00 41.25 42.10 3hqk s ASN 215 CO 0.01 -0.20 1.40 0.54 -1.51 0.00 0.00 177.10 177.34