#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 3.41 -0.11 -4.62 1.98 -1.26 -4.96 118.68 113.12 3hqk s LEU 2 Ca 0.00 -0.15 0.03 0.00 -2.89 0.00 0.00 54.13 51.13 3hqk s LEU 2 Cb 0.00 -1.88 0.00 0.00 0.66 0.00 0.00 46.19 44.98 3hqk s LEU 2 CO 0.00 0.06 -0.23 0.68 -1.89 0.00 0.00 176.35 174.97 3hqk s VAL 3 N 1.02 2.04 0.11 1.68 -7.23 -1.26 -4.71 120.40 112.04 3hqk s VAL 3 Ca 0.03 -1.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.03 3hqk s VAL 3 Cb -0.14 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 3hqk s VAL 3 CO 0.02 0.55 1.58 0.24 -0.31 0.00 0.00 175.10 177.18 3hqk h MET 4 N 6.91 0.52 -6.22 4.82 2.86 -1.81 -0.98 114.93 121.03 3hqk h MET 4 Ca -0.23 -0.14 -0.45 0.00 -2.06 0.00 0.00 59.70 56.82 3hqk h MET 4 Cb 1.22 -0.06 0.02 0.00 0.06 0.00 0.00 31.60 32.84 3hqk h MET 4 CO 0.50 0.62 -0.84 -2.37 1.06 0.00 0.00 176.91 175.87 3hqk n THR 5 N -4.61 -3.87 -1.59 2.22 5.66 -1.26 -3.43 114.28 107.39 3hqk n THR 5 Ca -0.02 -0.45 -0.32 0.00 -3.05 0.00 0.00 64.05 60.20 3hqk n THR 5 Cb 0.22 -3.39 0.06 0.00 -1.55 0.00 0.00 70.33 65.67 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 -6.19 2.65 -0.27 1.09 -2.07 -1.26 -3.96 119.66 109.64 3hqk s GLN 6 Ca 0.07 1.28 -0.22 0.00 -1.82 0.00 0.00 55.36 54.67 3hqk s GLN 6 Cb -0.03 -1.94 0.08 0.00 -1.09 0.00 0.00 33.01 30.02 3hqk s GLN 6 CO 0.83 -1.35 0.72 -1.12 -1.32 0.00 0.00 175.29 173.05 3hqk s SER 7 N -2.93 -0.81 0.56 12.60 0.01 -0.77 -4.49 113.70 117.86 3hqk s SER 7 Ca 0.64 1.45 -0.04 0.00 1.31 0.00 0.00 55.95 59.31 3hqk s SER 7 Cb -0.19 1.42 0.01 0.00 0.21 0.00 0.00 66.02 67.47 3hqk s SER 7 CO 0.47 -0.24 0.85 -2.16 0.41 0.00 0.00 173.24 172.56 3hqk s PRO 8 N 0.86 2.94 0.10 12.44 0.04 -1.26 -1.25 135.00 148.86 3hqk s PRO 8 Ca -0.04 -0.14 -0.26 0.00 0.04 0.00 0.00 61.00 60.60 3hqk s PRO 8 Cb -0.05 -2.34 -0.11 0.00 0.04 0.00 0.00 34.50 32.04 3hqk s PRO 8 CO -0.07 -0.61 1.67 0.00 0.04 0.00 0.00 177.00 178.03 3hqk h ALA 9 N -0.04 -0.32 -3.54 8.56 0.00 -1.81 -3.38 119.26 118.73 3hqk h ALA 9 Ca -0.45 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.07 3hqk h ALA 9 Cb 1.26 0.27 -0.24 0.00 0.00 0.00 0.00 17.79 19.07 3hqk h ALA 9 CO 0.60 -0.71 -0.76 0.42 0.00 0.00 0.00 179.25 178.80 3hqk s ILE 10 N -6.12 0.71 0.21 0.00 -1.09 -1.26 -0.17 121.20 113.48 3hqk s ILE 10 Ca -0.15 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.30 3hqk s ILE 10 Cb 0.07 -0.69 -0.00 0.00 -1.58 0.00 0.00 42.46 40.26 3hqk s ILE 10 CO 0.65 -0.13 0.41 0.00 -1.23 0.00 0.00 174.94 174.64 3hqk s MET 11 N -1.09 1.38 -0.08 2.79 0.23 -0.03 -4.92 119.30 117.58 3hqk s MET 11 Ca -0.03 -1.17 -0.06 0.00 -1.03 0.00 0.00 55.69 53.39 3hqk s MET 11 Cb -0.07 0.44 0.03 0.00 -1.53 0.00 0.00 34.83 33.69 3hqk s MET 11 CO 0.01 -0.55 0.20 -1.54 -2.03 0.00 0.00 175.02 171.10 3hqk s SER 12 N -2.98 -0.20 -0.08 -1.18 1.04 -1.26 -0.95 113.70 108.08 3hqk s SER 12 Ca 0.19 0.41 -0.07 0.00 0.48 0.00 0.00 55.95 56.96 3hqk s SER 12 Cb 0.01 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.53 3hqk s SER 12 CO 0.04 -0.09 0.21 0.00 0.98 0.00 0.00 173.24 174.37 3hqk s ALA 13 N 0.43 -0.50 0.24 5.32 0.00 -0.30 -4.85 121.76 122.10 3hqk s ALA 13 Ca -0.03 0.62 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 3hqk s ALA 13 Cb -0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 3hqk s ALA 13 CO -0.02 -0.11 1.11 -1.12 0.00 0.00 0.00 175.76 175.62 3hqk s SER 14 N 0.25 7.25 -0.01 0.00 0.01 -1.26 -2.37 113.70 117.56 3hqk s SER 14 Ca -0.01 2.22 -0.29 0.00 1.31 0.00 0.00 55.95 59.18 3hqk s SER 14 Cb -0.03 -2.62 -0.15 0.00 0.21 0.00 0.00 66.02 63.44 3hqk s SER 14 CO -0.01 -0.19 0.79 -2.65 0.41 0.00 0.00 173.24 171.59 3hqk n PRO 15 N 1.63 0.00 -0.26 12.44 -0.02 -1.26 -1.67 135.00 145.86 3hqk n PRO 15 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hqk n PRO 15 Cb 0.45 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 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 1.13 1.17 3.84 -1.23 0.00 -0.66 -4.84 105.19 104.60 3hqk n GLY 16 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.48 4.10 -0.07 1.61 2.12 -0.67 -4.45 118.70 120.86 3hqk s GLU 17 Ca 0.00 0.88 -0.20 0.00 0.36 0.00 0.00 54.97 56.01 3hqk s GLU 17 Cb 0.00 -2.31 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 3hqk s GLU 17 CO 0.00 0.06 0.56 0.15 -0.54 0.00 0.00 175.26 175.49 3hqk s LYS 18 N -3.12 4.34 0.08 4.30 1.02 -1.16 -0.51 119.74 124.69 3hqk s LYS 18 Ca 0.58 0.63 0.04 0.00 0.02 0.00 0.00 55.97 57.24 3hqk s LYS 18 Cb -0.10 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 3hqk s LYS 18 CO 0.16 0.22 0.02 0.08 -0.92 0.00 0.00 175.35 174.92 3hqk s VAL 19 N 0.35 4.18 -0.28 3.17 1.01 -0.48 -5.00 120.40 123.36 3hqk s VAL 19 Ca 0.30 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3hqk s VAL 19 Cb -0.17 -3.00 0.16 0.00 0.00 0.00 0.00 36.38 33.38 3hqk s VAL 19 CO 0.14 0.13 0.43 -0.89 0.00 0.00 0.00 175.10 174.91 3hqk s THR 20 N -1.33 -0.68 -0.01 3.92 2.01 -1.26 -1.87 115.64 116.42 3hqk s THR 20 Ca 0.27 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 3hqk s THR 20 Cb -0.12 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 3hqk s THR 20 CO 0.19 -0.21 0.16 0.00 -0.69 0.00 0.00 174.62 174.07 3hqk s MET 21 N 2.59 3.34 0.44 4.92 0.23 -0.69 -4.79 119.30 125.34 3hqk s MET 21 Ca 0.11 -0.37 0.07 0.00 -1.03 0.00 0.00 55.69 54.48 3hqk s MET 21 Cb -0.13 -3.03 -0.01 0.00 -1.53 0.00 0.00 34.83 30.13 3hqk s MET 21 CO -0.26 0.67 0.39 0.95 -2.03 0.00 0.00 175.02 174.74 3hqk s THR 22 N -1.30 2.47 -0.20 3.16 -4.23 -0.38 -1.08 115.64 114.08 3hqk s THR 22 Ca 0.26 -1.37 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 3hqk s THR 22 Cb -0.12 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 70.95 3hqk s THR 22 CO 0.18 0.00 0.08 0.00 -0.54 0.00 0.00 174.62 174.34 3hqk s SER 24 N 2.03 3.03 -0.28 0.00 0.15 -1.22 -0.97 113.70 116.44 3hqk s SER 24 Ca 0.03 0.58 -0.21 0.00 0.70 0.00 0.00 55.95 57.05 3hqk s SER 24 Cb -0.16 -0.85 0.08 0.00 -1.71 0.00 0.00 66.02 63.37 3hqk s SER 24 CO -0.14 -2.81 0.73 0.00 1.20 0.00 0.00 173.24 172.22 3hqk s ALA 25 N -3.54 -1.85 0.12 5.45 0.00 -0.71 -4.22 121.76 117.00 3hqk s ALA 25 Ca 0.69 2.21 -0.31 0.00 0.00 0.00 0.00 51.96 54.55 3hqk s ALA 25 Cb -0.09 -1.32 -0.10 0.00 0.00 0.00 0.00 23.12 21.62 3hqk s ALA 25 CO 0.53 -0.35 1.58 1.03 0.00 0.00 0.00 175.76 178.55 3hqk h SER 26 N 5.91 -1.31 -3.61 0.00 0.87 -1.46 -3.44 113.55 110.51 3hqk h SER 26 Ca -0.29 0.15 -0.41 0.00 -1.23 0.00 0.00 61.79 60.00 3hqk h SER 26 Cb 1.19 0.50 -0.14 0.00 -0.44 0.00 0.00 62.40 63.51 3hqk h SER 26 CO 0.11 -0.48 -0.65 -0.94 -0.53 0.00 0.00 176.83 174.33 3hqk s SER 27 N -4.75 2.08 0.34 6.23 1.04 -1.26 -5.02 113.70 112.35 3hqk s SER 27 Ca -0.16 -1.23 -0.29 0.00 0.48 0.00 0.00 55.95 54.75 3hqk s SER 27 Cb 0.08 -0.04 -0.11 0.00 0.10 0.00 0.00 66.02 66.05 3hqk s SER 27 CO 0.63 -0.49 1.49 -0.55 0.98 0.00 0.00 173.24 175.30 3hqk s SER 28 N -3.35 6.42 0.43 7.02 0.15 -1.26 -4.80 113.70 118.30 3hqk s SER 28 Ca 0.30 2.95 0.03 0.00 0.70 0.00 0.00 55.95 59.93 3hqk s SER 28 Cb 0.06 -2.65 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 3hqk s SER 28 CO 0.10 -0.83 0.10 0.68 1.20 0.00 0.00 173.24 174.49 3hqk s VAL 29 N -0.72 0.73 -0.00 4.45 -7.23 -0.47 -4.97 120.40 112.19 3hqk s VAL 29 Ca 0.56 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.75 3hqk s VAL 29 Cb -0.46 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 3hqk s VAL 29 CO 0.56 0.00 0.04 0.59 -0.31 0.00 0.00 175.10 175.98 3hqk n ASN 30 N -1.29 4.51 -3.79 4.85 3.02 -1.26 -3.38 115.26 117.93 3hqk n ASN 30 Ca -0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.34 3hqk n ASN 30 Cb 0.65 1.04 -0.12 0.00 -0.61 0.00 0.00 39.78 40.74 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 -2.14 -0.25 0.10 3.10 2.02 -1.26 -4.82 117.35 114.11 3hqk s TYR 36 Ca -0.01 0.60 0.07 0.00 -0.37 0.00 0.00 57.07 57.37 3hqk s TYR 36 Cb 0.01 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.61 3hqk s TYR 36 CO 0.09 -0.13 -0.12 1.41 -1.57 0.00 0.00 175.55 175.23 3hqk s MET 37 N 0.28 2.06 0.27 -0.62 -2.45 -1.26 -4.54 119.30 113.04 3hqk s MET 37 Ca -0.01 -1.05 0.11 0.00 -1.25 0.00 0.00 55.69 53.48 3hqk s MET 37 Cb -0.03 -2.26 -0.05 0.00 1.25 0.00 0.00 34.83 33.74 3hqk s MET 37 CO -0.01 0.50 -0.17 -1.01 1.05 0.00 0.00 175.02 175.38 3hqk s HIS 38 N -1.19 2.20 -0.04 4.11 0.09 0.78 -3.18 115.29 118.06 3hqk s HIS 38 Ca 0.20 -0.40 -0.02 0.00 -0.00 0.00 0.00 55.06 54.84 3hqk s HIS 38 Cb -0.11 -1.01 0.03 0.00 -0.00 0.00 0.00 32.58 31.49 3hqk s HIS 38 CO 0.13 0.63 0.06 -1.58 -0.00 0.00 0.00 174.74 173.97 3hqk s TRP 39 N -2.61 0.09 -0.12 1.40 0.52 0.65 -0.73 118.94 118.13 3hqk s TRP 39 Ca 0.29 0.23 -0.02 0.00 0.02 0.00 0.00 56.10 56.63 3hqk s TRP 39 Cb -0.03 -0.49 -0.03 0.00 -1.15 0.00 0.00 33.47 31.77 3hqk s TRP 39 CO 0.14 -0.20 -0.06 0.71 0.02 0.00 0.00 176.95 177.56 3hqk s TYR 40 N 2.14 2.96 -1.12 -1.98 2.02 0.41 0.38 117.35 122.16 3hqk s TYR 40 Ca 0.05 -0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 3hqk s TYR 40 Cb -0.12 -1.86 0.28 0.00 -0.40 0.00 0.00 41.96 39.86 3hqk s TYR 40 CO -0.03 0.07 1.21 0.94 -1.57 0.00 0.00 175.55 176.16 3hqk n GLN 41 N 3.07 3.69 -2.18 -0.62 7.27 0.10 0.52 117.38 129.24 3hqk n GLN 41 Ca -0.18 -4.42 -0.43 0.00 0.07 0.00 0.00 57.00 52.04 3hqk n GLN 41 Cb 0.53 -2.58 -0.02 0.00 2.41 0.00 0.00 30.24 30.57 3hqk n GLN 41 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 3hqk s GLN 42 N -1.33 3.68 -0.39 3.69 0.74 -1.17 -3.85 119.66 121.02 3hqk s GLN 42 Ca 0.32 1.42 -0.15 0.00 0.05 0.00 0.00 55.36 57.00 3hqk s GLN 42 Cb -0.07 -4.04 0.01 0.00 1.10 0.00 0.00 33.01 30.01 3hqk s GLN 42 CO -0.04 -1.43 0.33 0.15 -0.55 0.00 0.00 175.29 173.74 3hqk s LYS 43 N 4.85 3.17 -0.68 1.67 1.02 -1.26 -2.62 119.74 125.88 3hqk s LYS 43 Ca 0.69 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.83 3hqk s LYS 43 Cb -0.21 -3.92 0.00 0.00 -0.52 0.00 0.00 37.83 33.18 3hqk s LYS 43 CO 0.30 -0.69 0.68 -1.13 -0.92 0.00 0.00 175.35 173.58 3hqk n SER 44 N 5.28 -7.74 0.00 2.83 3.41 -1.26 -3.52 113.62 112.63 3hqk n SER 44 Ca -0.10 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3hqk n SER 44 Cb 0.48 -5.20 0.00 0.00 -0.26 0.00 0.00 64.21 59.22 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 -1.45 1.03 3.37 5.00 0.00 -1.26 -4.96 105.19 106.91 3hqk n GLY 45 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.66 2.61 -2.24 -1.23 -4.88 114.28 106.88 3hqk n THR 46 Ca 0.00 -0.31 -0.44 0.00 -2.27 0.00 0.00 64.05 61.03 3hqk n THR 46 Cb 0.00 -0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 67.46 3hqk n THR 46 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hqk n SER 47 N -2.63 3.92 -4.18 3.42 3.41 -1.26 -4.68 113.62 111.62 3hqk n SER 47 Ca 0.03 0.90 -0.35 0.00 -0.26 0.00 0.00 58.87 59.18 3hqk n SER 47 Cb 0.58 -1.48 0.07 0.00 -0.26 0.00 0.00 64.21 63.12 3hqk n SER 47 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3hqk n PRO 48 N 7.34 -0.10 -4.32 4.33 -0.02 -1.26 -4.86 135.00 136.10 3hqk n PRO 48 Ca 0.21 -0.01 -0.19 0.00 -2.02 0.00 0.00 63.50 61.49 3hqk n PRO 48 Cb 0.37 -1.36 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 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 -2.63 1.25 -0.08 -0.52 1.02 -1.25 -4.90 119.74 112.63 3hqk s LYS 49 Ca 0.48 -1.46 -0.06 0.00 0.02 0.00 0.00 55.97 54.94 3hqk s LYS 49 Cb -0.21 -1.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.93 3hqk s LYS 49 CO 0.76 0.21 0.17 -0.98 -0.92 0.00 0.00 175.35 174.58 3hqk s ARG 50 N -3.20 3.46 0.00 1.68 1.04 -1.26 0.02 118.95 120.69 3hqk s ARG 50 Ca 0.18 -0.16 0.00 0.00 -1.04 0.00 0.00 55.73 54.71 3hqk s ARG 50 Cb -0.03 -3.16 0.00 0.00 -2.04 0.00 0.00 34.95 29.72 3hqk s ARG 50 CO 0.06 0.74 0.00 0.91 -0.04 0.00 0.00 175.30 176.97 3hqk n TRP 51 N 1.66 0.00 -3.69 5.89 7.02 0.15 -4.79 117.44 123.69 3hqk n TRP 51 Ca -0.17 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.01 3hqk n TRP 51 Cb 0.54 0.20 -0.14 0.00 -2.42 0.00 0.00 31.31 29.49 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 -1.95 0.79 -0.03 -0.99 -1.09 0.16 -1.62 121.20 116.46 3hqk s ILE 52 Ca 0.00 -1.51 -0.25 0.00 -2.23 0.00 0.00 60.65 56.66 3hqk s ILE 52 Cb 0.00 -1.59 -0.21 0.00 -1.58 0.00 0.00 42.46 39.08 3hqk s ILE 52 CO 0.00 -0.74 1.15 0.10 -1.23 0.00 0.00 174.94 174.23 3hqk h TYR 53 N 7.85 0.17 -3.99 3.97 -0.00 -1.66 1.91 116.97 125.21 3hqk h TYR 53 Ca -0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 58.73 58.48 3hqk h TYR 53 Cb 1.00 -0.03 0.01 0.00 0.00 0.00 0.00 36.73 37.71 3hqk h TYR 53 CO 0.37 0.74 0.00 -0.25 -0.00 0.00 0.00 178.16 179.03 3hqk n ASP 54 N -4.66 0.26 -0.14 0.10 8.00 -1.26 -3.91 116.55 114.94 3hqk n ASP 54 Ca -0.09 -1.20 0.02 0.00 0.71 0.00 0.00 54.79 54.23 3hqk n ASP 54 Cb 0.38 -0.08 0.30 0.00 -0.02 0.00 0.00 41.12 41.70 3hqk n ASP 54 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3hqk h THR 55 N -0.20 1.16 0.00 -3.53 2.02 -1.86 -3.29 112.91 107.21 3hqk h THR 55 Ca -0.04 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3hqk h THR 55 Cb 0.18 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3hqk h THR 55 CO 0.05 0.16 -0.14 -0.24 0.37 0.00 0.00 175.52 175.72 3hqk n SER 56 N -4.44 1.40 -4.59 4.18 2.88 -1.26 -3.21 113.62 108.58 3hqk n SER 56 Ca 0.06 -2.41 -0.43 0.00 -1.33 0.00 0.00 58.87 54.77 3hqk n SER 56 Cb 0.04 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.20 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 -1.49 3.74 0.20 -1.46 3.01 -1.24 -4.67 119.74 117.83 3hqk s LYS 57 Ca 0.15 0.40 -0.30 0.00 -1.01 0.00 0.00 55.97 55.21 3hqk s LYS 57 Cb 0.13 -3.83 -0.08 0.00 -1.01 0.00 0.00 37.83 33.03 3hqk s LYS 57 CO 0.01 -0.99 1.16 -0.51 0.51 0.00 0.00 175.35 175.54 3hqk s LEU 58 N 3.43 4.48 0.00 3.17 1.43 -1.26 -2.12 118.68 127.80 3hqk s LEU 58 Ca 0.36 2.21 -0.06 0.00 -1.03 0.00 0.00 54.13 55.62 3hqk s LEU 58 Cb -0.12 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.57 3hqk s LEU 58 CO 0.20 -0.30 0.42 0.00 0.23 0.00 0.00 176.35 176.90 3hqk n ALA 59 N 2.20 -0.59 0.16 4.21 0.00 -0.64 -4.95 120.51 120.91 3hqk n ALA 59 Ca 0.03 -0.55 -0.14 0.00 0.00 0.00 0.00 53.44 52.77 3hqk n ALA 59 Cb 0.45 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.72 -1.24 0.02 0.00 4.64 -1.91 -3.32 113.55 111.02 3hqk h SER 60 Ca -0.14 0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 3hqk h SER 60 Cb 0.38 0.43 0.01 0.00 -0.31 0.00 0.00 62.40 62.92 3hqk h SER 60 CO 0.10 -0.50 -0.26 1.23 -0.87 0.00 0.00 176.83 176.52 3hqk h GLY 61 N -0.72 0.17 -4.79 -0.77 0.00 -1.95 -3.47 103.07 91.54 3hqk h GLY 61 Ca -0.03 -0.33 -0.63 0.00 0.00 0.00 0.00 47.33 46.34 3hqk h GLY 61 CO -0.15 0.29 -0.06 -0.62 0.00 0.00 0.00 176.54 176.00 3hqk n VAL 62 N -4.49 0.37 -2.88 4.60 0.31 -1.25 -4.88 118.33 110.11 3hqk n VAL 62 Ca -0.10 -0.09 -0.23 0.00 -0.01 0.00 0.00 64.34 63.91 3hqk n VAL 62 Cb 0.53 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.48 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 -0.19 2.93 0.27 5.55 0.05 -1.26 -4.79 135.00 137.56 3hqk s PRO 63 Ca 0.70 -0.55 -0.02 0.00 0.05 0.00 0.00 61.00 61.18 3hqk s PRO 63 Cb -0.99 -2.53 0.58 0.00 0.05 0.00 0.00 34.50 31.61 3hqk s PRO 63 CO 0.47 -0.39 1.64 0.00 0.05 0.00 0.00 177.00 178.77 3hqk h ALA 64 N 0.30 1.03 -0.79 8.56 0.00 -2.01 0.24 119.26 126.60 3hqk h ALA 64 Ca -0.45 0.24 0.29 0.00 0.00 0.00 0.00 54.91 54.99 3hqk h ALA 64 Cb 1.26 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 3hqk h ALA 64 CO 0.56 -0.45 0.49 0.54 0.00 0.00 0.00 179.25 180.39 3hqk n ARG 65 N -5.30 -0.03 -2.86 0.00 1.74 -1.26 -4.43 116.66 104.51 3hqk n ARG 65 Ca 0.18 0.79 -0.29 0.00 -0.77 0.00 0.00 57.85 57.75 3hqk n ARG 65 Cb 0.59 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3hqk n ARG 65 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hqk s PHE 66 N -4.69 3.49 -0.27 -1.55 0.08 0.85 -1.07 117.98 114.82 3hqk s PHE 66 Ca -0.05 0.95 -0.26 0.00 0.12 0.00 0.00 56.93 57.70 3hqk s PHE 66 Cb 0.19 -2.37 0.12 0.00 -0.57 0.00 0.00 43.02 40.39 3hqk s PHE 66 CO 0.50 -0.11 0.99 -1.54 -0.10 0.00 0.00 175.22 174.95 3hqk s SER 67 N -3.36 -0.48 0.20 1.36 1.04 -0.94 -4.97 113.70 106.55 3hqk s SER 67 Ca 0.50 0.89 0.08 0.00 0.48 0.00 0.00 55.95 57.90 3hqk s SER 67 Cb -0.10 0.89 -0.05 0.00 0.10 0.00 0.00 66.02 66.86 3hqk s SER 67 CO 0.34 -0.19 -0.16 -0.83 0.98 0.00 0.00 173.24 173.38 3hqk s GLY 68 N 0.10 1.47 0.21 7.32 0.00 -1.26 -0.87 107.32 114.29 3hqk s GLY 68 Ca 0.02 -1.65 -0.22 0.00 0.00 0.00 0.00 44.72 42.87 3hqk s GLY 68 CO -0.04 -1.73 0.95 -0.56 0.00 0.00 0.00 173.10 171.71 3hqk s SER 69 N -3.20 -0.08 0.00 1.64 0.01 -0.87 -4.46 113.70 106.74 3hqk s SER 69 Ca 0.22 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.83 3hqk s SER 69 Cb -0.02 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.78 3hqk s SER 69 CO 0.08 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.23 3hqk n GLY 70 N -0.57 0.08 0.00 3.44 0.00 -1.26 -0.89 105.19 105.98 3hqk n GLY 70 Ca -0.05 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.68 3hqk n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hqk n SER 71 N 0.00 0.00 0.00 1.61 3.41 -0.79 -4.93 113.62 112.92 3hqk n SER 71 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hqk n SER 71 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hqk n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hqk n GLY 72 N -0.11 1.74 0.01 5.00 0.00 -1.22 -2.26 105.19 108.35 3hqk n GLY 72 Ca 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.07 -3.99 2.61 -2.24 -1.26 -1.36 114.28 108.11 3hqk n THR 73 Ca 0.00 -0.07 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 3hqk n THR 73 Cb 0.00 0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.36 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 -3.29 4.50 0.43 3.42 0.15 -0.96 -1.74 113.70 116.21 3hqk s SER 74 Ca 0.09 -1.82 0.07 0.00 0.70 0.00 0.00 55.95 54.99 3hqk s SER 74 Cb 0.16 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.97 3hqk s SER 74 CO 0.74 -0.33 0.20 -0.31 1.20 0.00 0.00 173.24 174.74 3hqk s TYR 75 N 1.09 2.48 -0.30 3.44 2.02 -0.15 -1.88 117.35 124.06 3hqk s TYR 75 Ca 0.05 -0.63 -0.08 0.00 -0.37 0.00 0.00 57.07 56.04 3hqk s TYR 75 Cb -0.19 -1.94 0.15 0.00 -0.40 0.00 0.00 41.96 39.58 3hqk s TYR 75 CO -0.09 0.12 0.68 -1.12 -1.57 0.00 0.00 175.55 173.57 3hqk s SER 76 N -3.94 -1.14 0.27 2.29 0.01 -0.07 -0.39 113.70 110.73 3hqk s SER 76 Ca 0.39 1.25 -0.23 0.00 1.31 0.00 0.00 55.95 58.66 3hqk s SER 76 Cb 0.03 2.17 -0.09 0.00 0.21 0.00 0.00 66.02 68.34 3hqk s SER 76 CO 0.21 -0.22 0.84 -0.22 0.41 0.00 0.00 173.24 174.27 3hqk s LEU 77 N 2.85 4.35 -0.21 2.44 2.96 -0.24 -2.04 118.68 128.78 3hqk s LEU 77 Ca 0.03 1.65 -0.12 0.00 -0.22 0.00 0.00 54.13 55.46 3hqk s LEU 77 Cb -0.12 -3.81 0.07 0.00 0.50 0.00 0.00 46.19 42.83 3hqk s LEU 77 CO -0.19 -0.01 0.51 0.42 -1.32 0.00 0.00 176.35 175.76 3hqk s THR 78 N -1.56 -0.01 -0.20 3.68 -4.23 -0.05 -1.71 115.64 111.55 3hqk s THR 78 Ca 0.47 0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 60.96 3hqk s THR 78 Cb -0.18 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 3hqk s THR 78 CO 0.23 0.02 0.05 0.27 -0.54 0.00 0.00 174.62 174.65 3hqk s ILE 79 N 1.39 4.54 0.04 2.99 -4.36 -0.78 -2.22 121.20 122.81 3hqk s ILE 79 Ca -0.09 -0.11 -0.29 0.00 -0.26 0.00 0.00 60.65 59.90 3hqk s ILE 79 Cb -0.07 -3.06 -0.17 0.00 1.25 0.00 0.00 42.46 40.40 3hqk s ILE 79 CO -0.14 0.42 1.44 0.77 0.24 0.00 0.00 174.94 177.68 3hqk h SER 80 N 7.17 -0.59 -3.18 4.36 4.64 -1.38 -1.27 113.55 123.30 3hqk h SER 80 Ca -0.36 -0.04 -0.65 0.00 -0.47 0.00 0.00 61.79 60.27 3hqk h SER 80 Cb 1.17 0.15 -0.34 0.00 -0.31 0.00 0.00 62.40 63.07 3hqk h SER 80 CO 0.65 -0.32 -0.86 -0.94 -0.87 0.00 0.00 176.83 174.49 3hqk s SER 81 N -4.67 2.98 0.61 4.97 1.04 -1.26 -3.00 113.70 114.37 3hqk s SER 81 Ca -0.16 -0.58 -0.15 0.00 0.48 0.00 0.00 55.95 55.54 3hqk s SER 81 Cb 0.03 -1.37 -0.03 0.00 0.10 0.00 0.00 66.02 64.74 3hqk s SER 81 CO 0.57 0.04 1.06 -0.32 0.98 0.00 0.00 173.24 175.57 3hqk s MET 82 N 0.99 3.27 0.12 4.02 1.75 0.33 -4.71 119.30 125.08 3hqk s MET 82 Ca -0.04 1.17 -0.04 0.00 -1.25 0.00 0.00 55.69 55.54 3hqk s MET 82 Cb -0.15 -2.03 -0.03 0.00 2.84 0.00 0.00 34.83 35.47 3hqk s MET 82 CO -0.05 -0.84 0.12 -1.21 -0.65 0.00 0.00 175.02 172.38 3hqk s GLU 83 N -4.20 0.93 0.17 4.11 2.02 -1.26 -1.65 118.70 118.83 3hqk s GLU 83 Ca 0.63 -1.29 -0.14 0.00 0.02 0.00 0.00 54.97 54.19 3hqk s GLU 83 Cb -0.16 0.28 0.06 0.00 0.10 0.00 0.00 34.13 34.41 3hqk s GLU 83 CO 0.39 -0.28 1.83 0.00 0.02 0.00 0.00 175.26 177.22 3hqk h ALA 84 N 2.81 0.64 -0.59 5.21 0.00 -1.98 -2.62 119.26 122.73 3hqk h ALA 84 Ca -0.34 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.66 3hqk h ALA 84 Cb 1.20 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 3hqk h ALA 84 CO 0.57 0.08 -0.02 0.93 0.00 0.00 0.00 179.25 180.81 3hqk h GLU 85 N 0.68 0.09 0.00 0.00 3.07 -1.97 -2.23 114.58 114.23 3hqk h GLU 85 Ca 0.19 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3hqk h GLU 85 Cb -0.07 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 3hqk h GLU 85 CO -0.04 0.06 0.00 -0.25 -1.40 0.00 0.00 179.01 177.38 3hqk n ASP 86 N -5.29 0.00 -4.71 1.42 8.00 -0.99 -4.50 116.55 110.48 3hqk n ASP 86 Ca 0.08 0.44 -0.42 0.00 0.71 0.00 0.00 54.79 55.60 3hqk n ASP 86 Cb 0.33 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 3hqk n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hqk s ALA 87 N -2.90 3.64 0.00 2.24 0.00 -0.84 -4.89 121.76 119.01 3hqk s ALA 87 Ca 0.02 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3hqk s ALA 87 Cb 0.02 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3hqk s ALA 87 CO 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 175.76 175.11 3hqk n ALA 88 N 4.14 0.00 -1.77 0.00 0.00 -0.84 -4.91 120.51 117.13 3hqk n ALA 88 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 3hqk n ALA 88 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.00 3.12 -0.01 0.00 2.01 -1.08 -1.17 115.64 116.52 3hqk s THR 89 Ca 0.00 0.85 0.07 0.00 0.31 0.00 0.00 61.69 62.92 3hqk s THR 89 Cb 0.00 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 3hqk s THR 89 CO 0.00 -0.01 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.38 3hqk s TYR 90 N -1.54 2.40 -0.23 4.92 1.51 0.26 -3.07 117.35 121.60 3hqk s TYR 90 Ca 0.63 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 3hqk s TYR 90 Cb -0.28 -1.50 0.05 0.00 -0.11 0.00 0.00 41.96 40.11 3hqk s TYR 90 CO 0.35 0.04 -0.12 0.71 -1.11 0.00 0.00 175.55 175.42 3hqk s TYR 91 N -0.68 2.90 0.12 2.71 2.02 0.19 -1.75 117.35 122.86 3hqk s TYR 91 Ca 0.11 -1.99 -0.30 0.00 -0.37 0.00 0.00 57.07 54.51 3hqk s TYR 91 Cb -0.10 -1.82 -0.07 0.00 -0.40 0.00 0.00 41.96 39.57 3hqk s TYR 91 CO 0.00 -0.83 1.25 0.00 -1.57 0.00 0.00 175.55 174.40 3hqk s GLN 93 N 0.61 0.48 0.22 0.00 1.03 0.09 0.39 119.66 122.47 3hqk s GLN 93 Ca 0.58 -0.60 0.10 0.00 0.04 0.00 0.00 55.36 55.48 3hqk s GLN 93 Cb -0.32 -0.28 -0.05 0.00 0.03 0.00 0.00 33.01 32.39 3hqk s GLN 93 CO 0.32 0.05 -0.19 -1.14 -2.54 0.00 0.00 175.29 171.80 3hqk s GLN 94 N -1.21 1.49 0.00 9.60 -0.44 -0.72 -0.16 119.66 128.22 3hqk s GLN 94 Ca -0.08 -1.61 0.00 0.00 -2.50 0.00 0.00 55.36 51.17 3hqk s GLN 94 Cb -0.08 -1.55 0.00 0.00 -1.64 0.00 0.00 33.01 29.74 3hqk s GLN 94 CO 0.00 0.30 0.53 1.87 0.50 0.00 0.00 175.29 178.49 3hqk n TRP 95 N -0.23 0.00 -0.28 1.67 -0.00 -1.26 -2.92 117.44 114.42 3hqk n TRP 95 Ca -0.09 -0.13 -0.06 0.00 -0.00 0.00 0.00 57.50 57.23 3hqk n TRP 95 Cb 0.59 -0.01 0.06 0.00 -0.00 0.00 0.00 31.31 31.94 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 0.00 1.00 -4.22 5.87 0.02 -1.96 -3.44 113.55 110.81 3hqk h SER 96 Ca 0.00 -0.14 -0.48 0.00 -0.84 0.00 0.00 61.79 60.33 3hqk h SER 96 Cb 0.67 -0.26 -0.28 0.00 0.14 0.00 0.00 62.40 62.67 3hqk h SER 96 CO 0.00 0.86 -0.81 -0.31 -1.14 0.00 0.00 176.83 175.43 3hqk s TYR 97 N -5.69 1.26 0.24 3.45 2.02 -1.26 -5.11 117.35 112.26 3hqk s TYR 97 Ca -0.13 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 3hqk s TYR 97 Cb 0.15 -0.80 -0.11 0.00 -0.40 0.00 0.00 41.96 40.81 3hqk s TYR 97 CO 0.82 -0.01 1.54 1.21 -1.57 0.00 0.00 175.55 177.53 3hqk s ASN 98 N -0.48 6.53 0.14 2.29 2.47 -1.26 -3.82 114.94 120.81 3hqk s ASN 98 Ca 0.05 2.77 0.05 0.00 0.42 0.00 0.00 52.86 56.14 3hqk s ASN 98 Cb -0.06 -2.62 -0.04 0.00 -1.45 0.00 0.00 41.25 37.08 3hqk s ASN 98 CO -0.00 -0.81 0.10 -2.84 -3.72 0.00 0.00 177.10 169.82 3hqk s PRO 99 N -0.02 2.82 -0.28 0.43 0.02 -1.26 -4.33 135.00 132.38 3hqk s PRO 99 Ca 0.64 -0.86 -0.41 0.00 0.02 0.00 0.00 61.00 60.40 3hqk s PRO 99 Cb -0.45 -2.62 -0.16 0.00 0.02 0.00 0.00 34.50 31.29 3hqk s PRO 99 CO 0.42 0.50 1.70 -2.30 -0.33 0.00 0.00 177.00 176.99 3hqk n PRO 100 N -0.09 1.03 -4.29 5.54 -0.02 -1.25 -4.77 135.00 131.16 3hqk n PRO 100 Ca -0.09 0.38 -0.24 0.00 -2.02 0.00 0.00 63.50 61.54 3hqk n PRO 100 Cb 0.54 -2.04 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 3hqk n PRO 100 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hqk s THR 101 N 3.29 3.04 0.15 3.45 -4.23 -1.15 -4.98 115.64 115.22 3hqk s THR 101 Ca 0.98 -1.94 0.10 0.00 -1.18 0.00 0.00 61.69 59.65 3hqk s THR 101 Cb -1.11 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 3hqk s THR 101 CO 0.66 -0.29 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.87 3hqk s PHE 102 N -2.42 2.03 1.03 3.99 0.40 -1.26 -1.75 117.98 120.00 3hqk s PHE 102 Ca 0.33 -0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 56.10 3hqk s PHE 102 Cb -0.04 -1.05 0.07 0.00 0.51 0.00 0.00 43.02 42.51 3hqk s PHE 102 CO 0.20 0.35 0.23 0.41 0.70 0.00 0.00 175.22 177.10 3hqk n GLY 103 N 0.61 -2.24 0.28 4.36 0.00 1.25 -4.41 105.19 105.04 3hqk n GLY 103 Ca -0.16 -0.77 0.16 0.00 0.00 0.00 0.00 46.02 45.25 3hqk n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hqk h GLY 104 N -1.80 0.00 0.00 -0.02 0.00 -1.87 -3.48 103.07 95.91 3hqk h GLY 104 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3hqk h GLY 104 CO 0.36 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.51 3hqk n GLY 105 N -0.51 0.72 3.09 4.60 0.00 -1.26 -5.02 105.19 106.81 3hqk n GLY 105 Ca -0.01 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.79 1.91 -0.45 2.61 2.01 -0.71 -4.60 115.64 114.62 3hqk s THR 106 Ca 0.00 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 3hqk s THR 106 Cb 0.00 -1.75 0.05 0.00 0.01 0.00 0.00 72.50 70.81 3hqk s THR 106 CO 0.00 0.50 0.40 -0.75 -0.69 0.00 0.00 174.62 174.08 3hqk s LYS 107 N 1.35 3.00 -0.25 4.92 2.20 0.76 -0.57 119.74 131.14 3hqk s LYS 107 Ca 0.05 -1.15 -0.09 0.00 -0.36 0.00 0.00 55.97 54.41 3hqk s LYS 107 Cb -0.13 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.08 3hqk s LYS 107 CO -0.12 -0.95 0.13 -1.17 -0.36 0.00 0.00 175.35 172.88 3hqk s LEU 108 N 1.81 3.81 0.06 5.43 0.20 -0.31 -0.85 118.68 128.83 3hqk s LEU 108 Ca 0.06 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.84 3hqk s LEU 108 Cb -0.22 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 3hqk s LEU 108 CO 0.09 -0.01 0.16 -1.61 -0.29 0.00 0.00 176.35 174.69 3hqk s GLU 109 N 1.48 3.23 0.60 1.98 2.02 -0.13 -1.98 118.70 125.91 3hqk s GLU 109 Ca 0.06 -0.53 -0.15 0.00 0.02 0.00 0.00 54.97 54.38 3hqk s GLU 109 Cb -0.15 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 3hqk s GLU 109 CO 0.07 0.60 1.04 0.96 0.02 0.00 0.00 175.26 177.95 3hqk s ILE 110 N -1.45 4.00 -0.08 -1.63 -5.25 -1.26 -1.15 121.20 114.38 3hqk s ILE 110 Ca 0.32 0.89 0.01 0.00 -0.99 0.00 0.00 60.65 60.88 3hqk s ILE 110 Cb -0.13 -3.46 -0.03 0.00 2.95 0.00 0.00 42.46 41.80 3hqk s ILE 110 CO 0.25 -0.62 -0.09 -0.75 -1.79 0.00 0.00 174.94 171.94 3hqk s LYS 111 N -4.27 2.86 0.17 0.37 2.20 -1.00 -4.65 119.74 115.42 3hqk s LYS 111 Ca 0.62 -0.60 0.06 0.00 -0.36 0.00 0.00 55.97 55.68 3hqk s LYS 111 Cb -0.14 -2.57 -0.05 0.00 -1.51 0.00 0.00 37.83 33.56 3hqk s LYS 111 CO 0.39 0.55 -0.11 -0.98 -0.36 0.00 0.00 175.35 174.84 3hqk s ARG 112 N -0.51 1.17 0.44 4.03 1.70 -1.26 -4.44 118.95 120.08 3hqk s ARG 112 Ca 0.07 -1.51 -0.26 0.00 -0.47 0.00 0.00 55.73 53.56 3hqk s ARG 112 Cb -0.12 -0.79 -0.09 0.00 -0.57 0.00 0.00 34.95 33.38 3hqk s ARG 112 CO 0.02 0.10 1.42 0.00 -1.08 0.00 0.00 175.30 175.76 3hqk s ALA 113 N -3.21 3.29 0.38 7.88 0.00 -1.26 -4.88 121.76 123.95 3hqk s ALA 113 Ca 0.19 1.46 -0.28 0.00 0.00 0.00 0.00 51.96 53.33 3hqk s ALA 113 Cb 0.02 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 3hqk s ALA 113 CO 0.03 -1.14 1.50 -3.47 0.00 0.00 0.00 175.76 172.69 3hqk n ASP 114 N -0.08 3.86 -4.22 0.00 2.03 -1.26 -4.83 116.55 112.05 3hqk n ASP 114 Ca 0.04 1.23 -0.13 0.00 0.52 0.00 0.00 54.79 56.45 3hqk n ASP 114 Cb 0.42 -1.63 -0.10 0.00 -0.72 0.00 0.00 41.12 39.09 3hqk n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hqk s ALA 115 N -1.07 1.29 -0.11 -1.67 0.00 -0.17 -4.90 121.76 115.13 3hqk s ALA 115 Ca 0.53 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3hqk s ALA 115 Cb -0.47 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3hqk s ALA 115 CO 0.63 -0.18 -0.06 0.00 0.00 0.00 0.00 175.76 176.15 3hqk s ALA 116 N -3.48 2.97 0.55 0.00 0.00 -1.26 -1.97 121.76 118.58 3hqk s ALA 116 Ca 0.16 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 3hqk s ALA 116 Cb 0.04 -1.36 -0.11 0.00 0.00 0.00 0.00 23.12 21.69 3hqk s ALA 116 CO -0.01 0.41 0.23 -2.30 0.00 0.00 0.00 175.76 174.10 3hqk n PRO 117 N 2.82 0.28 -3.91 0.00 -0.02 -1.26 -4.65 135.00 128.25 3hqk n PRO 117 Ca -0.18 0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.10 3hqk n PRO 117 Cb 0.53 -1.40 -0.13 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.85 2.77 0.31 3.45 2.01 -0.71 -4.87 115.64 116.75 3hqk s THR 118 Ca 0.63 -3.30 -0.24 0.00 0.31 0.00 0.00 61.69 59.09 3hqk s THR 118 Cb -0.46 -2.90 -0.10 0.00 0.01 0.00 0.00 72.50 69.06 3hqk s THR 118 CO 0.60 -0.82 0.90 -0.69 -0.69 0.00 0.00 174.62 173.92 3hqk s VAL 119 N -0.29 4.29 0.02 3.82 1.01 -1.26 -2.66 120.40 125.33 3hqk s VAL 119 Ca 0.17 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.85 3hqk s VAL 119 Cb -0.25 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3hqk s VAL 119 CO -0.01 0.12 -0.04 -0.44 0.00 0.00 0.00 175.10 174.74 3hqk s SER 120 N -1.66 0.40 0.14 3.32 0.01 -1.23 -4.96 113.70 109.71 3hqk s SER 120 Ca 0.50 -0.33 0.08 0.00 1.31 0.00 0.00 55.95 57.51 3hqk s SER 120 Cb -0.18 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 3hqk s SER 120 CO 0.22 -0.15 -0.19 -0.51 0.41 0.00 0.00 173.24 173.03 3hqk s ILE 121 N -0.89 1.76 -0.00 1.44 2.07 -1.26 -1.14 121.20 123.18 3hqk s ILE 121 Ca -0.08 -1.77 -0.00 0.00 -1.41 0.00 0.00 60.65 57.39 3hqk s ILE 121 Cb -0.06 -1.72 0.00 0.00 0.13 0.00 0.00 42.46 40.80 3hqk s ILE 121 CO -0.00 -0.23 0.00 -0.36 -1.91 0.00 0.00 174.94 172.44 3hqk s PHE 122 N -1.73 -0.00 -0.23 3.50 0.08 -0.29 -4.96 117.98 114.35 3hqk s PHE 122 Ca 0.12 0.01 -0.09 0.00 0.12 0.00 0.00 56.93 57.09 3hqk s PHE 122 Cb -0.07 -0.00 -0.04 0.00 -0.57 0.00 0.00 43.02 42.33 3hqk s PHE 122 CO 0.06 -0.00 0.11 -1.25 -0.10 0.00 0.00 175.22 174.03 3hqk s PRO 123 N 0.03 3.93 -0.23 0.24 0.05 -1.26 -1.96 135.00 135.79 3hqk s PRO 123 Ca -0.00 -0.35 -0.21 0.00 0.05 0.00 0.00 61.00 60.49 3hqk s PRO 123 Cb -0.00 -3.39 -0.09 0.00 0.05 0.00 0.00 34.50 31.06 3hqk s PRO 123 CO -0.00 0.05 0.76 -2.30 0.05 0.00 0.00 177.00 175.56 3hqk n PRO 124 N 4.27 0.00 -1.91 0.56 -0.02 -1.20 -4.78 135.00 131.92 3hqk n PRO 124 Ca -0.16 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.91 3hqk n PRO 124 Cb 0.52 -0.68 -0.01 0.00 -0.02 0.00 0.00 33.50 33.31 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 1.53 6.49 0.15 2.55 1.04 -1.26 -4.75 113.70 119.45 3hqk s SER 125 Ca 0.49 2.91 -0.30 0.00 0.48 0.00 0.00 55.95 59.54 3hqk s SER 125 Cb -0.68 -2.66 -0.07 0.00 0.10 0.00 0.00 66.02 62.71 3hqk s SER 125 CO 0.37 -0.77 1.49 -1.54 0.98 0.00 0.00 173.24 173.76 3hqk n SER 126 N 0.80 -1.01 0.00 7.02 3.41 -1.26 0.56 113.62 123.14 3hqk n SER 126 Ca 0.02 1.71 0.01 0.00 -0.26 0.00 0.00 58.87 60.35 3hqk n SER 126 Cb 0.40 -0.23 0.07 0.00 -0.26 0.00 0.00 64.21 64.19 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 -5.18 0.13 -0.09 4.33 0.00 -1.26 0.53 120.64 119.09 3hqk n GLU 127 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.08 3hqk n GLU 127 Cb 0.25 -1.29 -0.13 0.00 0.00 0.00 0.00 31.44 30.27 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 -0.79 1.02 -0.06 3.44 7.27 0.19 -3.39 117.38 125.05 3hqk n GLN 128 Ca 0.02 0.03 -0.10 0.00 0.07 0.00 0.00 57.00 57.01 3hqk n GLN 128 Cb 0.01 -1.44 -0.03 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 0.29 -0.92 1.69 -0.00 0.36 -3.09 115.31 113.64 3hqk h LEU 129 Ca -0.48 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.88 57.27 3hqk h LEU 129 Cb 1.99 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 42.54 3hqk h LEU 129 CO -0.00 0.31 0.37 0.71 -0.00 0.00 0.00 178.44 179.83 3hqk h THR 130 N 0.25 1.25 -2.23 0.22 1.35 -1.43 -3.17 112.91 109.15 3hqk h THR 130 Ca 0.08 -0.71 -0.79 0.00 -0.55 0.00 0.00 66.41 64.43 3hqk h THR 130 Cb 0.09 0.24 -0.28 0.00 -1.73 0.00 0.00 68.15 66.48 3hqk h THR 130 CO -0.01 0.30 0.94 -1.54 -0.25 0.00 0.00 175.52 174.96 3hqk n SER 131 N -4.31 7.20 0.00 5.36 3.41 -1.17 -4.94 113.62 119.17 3hqk n SER 131 Ca 0.08 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.98 3hqk n SER 131 Cb 0.15 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 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 -0.12 3.08 2.25 5.00 0.00 -1.20 -4.90 105.19 109.30 3hqk n GLY 132 Ca 0.47 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 1.94 3.25 -0.02 0.00 -1.18 -3.31 105.19 105.87 3hqk n GLY 133 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.02 -0.88 -0.04 4.61 0.00 -0.50 -3.82 121.76 119.12 3hqk s ALA 134 Ca 0.14 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.90 3hqk s ALA 134 Cb -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3hqk s ALA 134 CO 0.10 -0.21 -0.07 -1.12 0.00 0.00 0.00 175.76 174.47 3hqk s SER 135 N -0.39 1.09 -0.15 0.00 0.01 -1.24 -0.33 113.70 112.69 3hqk s SER 135 Ca -0.05 -0.16 -0.06 0.00 1.31 0.00 0.00 55.95 56.99 3hqk s SER 135 Cb -0.03 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 3hqk s SER 135 CO 0.02 -0.01 0.06 -0.69 0.41 0.00 0.00 173.24 173.03 3hqk s VAL 136 N 0.70 4.78 -0.16 3.43 1.01 0.31 -3.26 120.40 127.21 3hqk s VAL 136 Ca -0.10 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3hqk s VAL 136 Cb -0.13 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.15 3hqk s VAL 136 CO 0.01 0.53 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 3hqk s VAL 137 N -0.21 2.26 -0.12 2.92 1.01 -0.83 0.14 120.40 125.58 3hqk s VAL 137 Ca 0.08 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 3hqk s VAL 137 Cb -0.12 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3hqk s VAL 137 CO 0.01 0.53 0.15 0.00 0.00 0.00 0.00 175.10 175.80 3hqk n PHE 139 N 2.01 1.73 -1.75 0.00 3.01 -0.29 -1.23 117.46 120.94 3hqk n PHE 139 Ca -0.20 -3.88 -0.38 0.00 1.01 0.00 0.00 57.45 54.00 3hqk n PHE 139 Cb 0.55 -0.39 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.57 3.39 -0.13 4.37 1.02 -0.87 -3.49 118.68 121.39 3hqk s LEU 140 Ca 0.35 1.00 0.00 0.00 0.02 0.00 0.00 54.13 55.51 3hqk s LEU 140 Cb 0.11 -2.75 -0.01 0.00 0.02 0.00 0.00 46.19 43.55 3hqk s LEU 140 CO -0.09 -2.50 -0.15 0.20 0.02 0.00 0.00 176.35 173.83 3hqk s ASN 141 N 9.89 3.83 -0.10 2.29 -0.87 -1.09 -0.12 114.94 128.77 3hqk s ASN 141 Ca 0.88 -0.39 -0.00 0.00 -1.57 0.00 0.00 52.86 51.78 3hqk s ASN 141 Cb -0.18 -1.58 0.00 0.00 -0.02 0.00 0.00 41.25 39.47 3hqk s ASN 141 CO 0.27 0.15 0.04 0.59 -2.57 0.00 0.00 177.10 175.57 3hqk n ASN 142 N 3.64 -1.81 -4.91 -1.22 4.13 -0.32 -1.74 115.26 113.03 3hqk n ASN 142 Ca -0.18 -0.02 -0.28 0.00 1.68 0.00 0.00 54.58 55.78 3hqk n ASN 142 Cb 0.53 -0.79 -0.02 0.00 -1.54 0.00 0.00 39.78 37.95 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 -2.55 3.49 -0.02 3.10 -0.71 -0.91 -4.56 117.98 115.83 3hqk s PHE 143 Ca 0.02 0.68 0.00 0.00 -1.04 0.00 0.00 56.93 56.59 3hqk s PHE 143 Cb -0.01 -2.15 0.02 0.00 -1.21 0.00 0.00 43.02 39.67 3hqk s PHE 143 CO 0.02 0.05 0.01 -0.47 -1.34 0.00 0.00 175.22 173.49 3hqk s TYR 144 N -2.28 0.13 0.09 3.49 6.14 -0.83 -0.27 117.35 123.82 3hqk s TYR 144 Ca 0.45 0.04 -0.00 0.00 0.64 0.00 0.00 57.07 58.20 3hqk s TYR 144 Cb -0.10 -0.22 0.02 0.00 0.42 0.00 0.00 41.96 42.07 3hqk s TYR 144 CO 0.34 -0.07 0.12 -0.35 0.64 0.00 0.00 175.55 176.23 3hqk n PRO 145 N 3.77 0.40 0.25 4.97 -0.04 -1.26 -1.00 135.00 142.09 3hqk n PRO 145 Ca -0.22 -0.28 0.16 0.00 -0.04 0.00 0.00 63.50 63.11 3hqk n PRO 145 Cb 0.53 -0.09 0.71 0.00 -0.04 0.00 0.00 33.50 34.61 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 -5.52 0.54 3.64 -1.96 -3.42 116.57 109.84 3hqk h LYS 146 Ca -0.04 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.74 3hqk h LYS 146 Cb 0.13 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.84 3hqk h LYS 146 CO 0.04 0.00 0.02 0.34 -2.27 0.00 0.00 179.45 177.57 3hqk s ASP 147 N -4.49 6.56 0.30 4.20 -1.08 -1.26 -5.00 116.67 115.91 3hqk s ASP 147 Ca -0.03 0.68 -0.15 0.00 -0.52 0.00 0.00 52.55 52.52 3hqk s ASP 147 Cb 0.10 -2.30 0.02 0.00 -1.46 0.00 0.00 42.92 39.27 3hqk s ASP 147 CO 0.33 -0.24 0.62 -0.51 0.52 0.00 0.00 175.17 175.89 3hqk s ILE 148 N 1.91 0.00 0.13 4.11 2.07 -1.26 -4.64 121.20 123.52 3hqk s ILE 148 Ca 0.24 -1.21 0.02 0.00 -1.41 0.00 0.00 60.65 58.29 3hqk s ILE 148 Cb -0.16 -2.33 -0.04 0.00 0.13 0.00 0.00 42.46 40.06 3hqk s ILE 148 CO 0.09 0.00 -0.04 0.21 -1.91 0.00 0.00 174.94 173.29 3hqk s ASN 149 N -3.02 1.20 0.26 4.50 2.47 -0.92 -5.02 114.94 114.41 3hqk s ASN 149 Ca 0.18 -1.07 0.07 0.00 0.42 0.00 0.00 52.86 52.46 3hqk s ASN 149 Cb -0.03 0.10 -0.05 0.00 -1.45 0.00 0.00 41.25 39.81 3hqk s ASN 149 CO 0.10 -0.50 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.21 3hqk s VAL 150 N -3.62 1.68 1.00 -5.21 1.01 -1.26 -3.46 120.40 110.54 3hqk s VAL 150 Ca 0.17 -2.15 -0.16 0.00 0.00 0.00 0.00 61.98 59.84 3hqk s VAL 150 Cb 0.05 -2.35 0.20 0.00 0.00 0.00 0.00 36.38 34.29 3hqk s VAL 150 CO -0.01 -0.37 1.23 -0.75 0.00 0.00 0.00 175.10 175.19 3hqk s LYS 151 N -3.70 0.34 0.00 2.72 2.20 0.10 -4.78 119.74 116.62 3hqk s LYS 151 Ca 0.28 -0.17 0.15 0.00 -0.36 0.00 0.00 55.97 55.87 3hqk s LYS 151 Cb 0.02 -1.79 0.68 0.00 -1.51 0.00 0.00 37.83 35.24 3hqk s LYS 151 CO 0.11 -2.65 1.45 0.91 -0.36 0.00 0.00 175.35 174.80 3hqk n TRP 152 N -3.99 0.00 -3.73 4.03 5.03 -1.26 -4.79 117.44 112.73 3hqk n TRP 152 Ca 0.13 0.00 -0.24 0.00 3.03 0.00 0.00 57.50 60.41 3hqk n TRP 152 Cb 0.60 -0.41 0.04 0.00 -1.03 0.00 0.00 31.31 30.51 3hqk n TRP 152 CO 0.00 0.00 0.00 1.17 -0.03 0.00 0.00 177.69 178.83 3hqk n LYS 153 N -1.41 -5.82 -1.83 -0.99 4.81 -1.26 -2.64 118.16 109.02 3hqk n LYS 153 Ca 0.05 0.67 -0.41 0.00 -0.87 0.00 0.00 58.31 57.75 3hqk n LYS 153 Cb 0.15 -5.48 -0.00 0.00 0.02 0.00 0.00 35.03 29.72 3hqk n LYS 153 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3hqk s LYS 154 N -6.19 4.13 -0.19 1.64 1.02 -1.02 -4.40 119.74 114.73 3hqk s LYS 154 Ca 0.33 2.54 -0.08 0.00 0.02 0.00 0.00 55.97 58.78 3hqk s LYS 154 Cb -0.16 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 3hqk s LYS 154 CO 0.80 -0.50 0.07 0.96 -0.92 0.00 0.00 175.35 175.76 3hqk s ILE 155 N -1.09 4.82 -1.16 2.17 -5.25 2.07 -3.33 121.20 119.42 3hqk s ILE 155 Ca 0.53 -0.02 -0.01 0.00 -0.99 0.00 0.00 60.65 60.16 3hqk s ILE 155 Cb -0.46 -3.19 -0.01 0.00 2.95 0.00 0.00 42.46 41.76 3hqk s ILE 155 CO 0.62 0.44 0.97 0.47 -1.79 0.00 0.00 174.94 175.65 3hqk n ASP 156 N 3.69 -2.48 -2.24 4.36 8.00 1.13 -1.35 116.55 127.67 3hqk n ASP 156 Ca -0.16 -0.62 -0.21 0.00 0.71 0.00 0.00 54.79 54.51 3hqk n ASP 156 Cb 0.52 -5.04 -0.03 0.00 -0.02 0.00 0.00 41.12 36.56 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 -1.14 0.00 3.24 0.44 0.00 -1.26 -4.95 105.19 101.53 3hqk n GLY 157 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.19 2.72 -0.16 1.61 0.01 -0.46 -5.05 113.70 110.18 3hqk s SER 158 Ca 0.00 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 56.78 3hqk s SER 158 Cb 0.00 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.71 3hqk s SER 158 CO 0.00 0.25 0.01 -1.83 0.41 0.00 0.00 173.24 172.09 3hqk s GLU 159 N -0.36 3.72 -0.13 12.44 1.03 -1.26 0.53 118.70 134.67 3hqk s GLU 159 Ca 0.04 -0.42 -0.01 0.00 0.03 0.00 0.00 54.97 54.61 3hqk s GLU 159 Cb -0.11 -3.03 -0.02 0.00 -0.80 0.00 0.00 34.13 30.17 3hqk s GLU 159 CO 0.01 0.32 -0.12 0.50 -1.33 0.00 0.00 175.26 174.64 3hqk s ARG 160 N 0.18 3.41 0.19 -4.83 6.06 -1.08 -4.86 118.95 118.01 3hqk s ARG 160 Ca 0.01 -0.67 -0.09 0.00 -2.50 0.00 0.00 55.73 52.48 3hqk s ARG 160 Cb -0.13 -2.67 0.10 0.00 0.06 0.00 0.00 34.95 32.32 3hqk s ARG 160 CO 0.02 0.20 1.70 0.37 -2.50 0.00 0.00 175.30 175.09 3hqk h GLN 161 N 6.75 1.09 -5.55 5.12 5.75 -1.98 -3.43 115.11 122.86 3hqk h GLN 161 Ca -0.27 -0.27 -0.44 0.00 -0.15 0.00 0.00 58.65 57.52 3hqk h GLN 161 Cb 1.21 -0.14 -0.16 0.00 1.07 0.00 0.00 27.48 29.46 3hqk h GLN 161 CO 0.56 0.97 -0.75 0.54 -2.65 0.00 0.00 178.83 177.51 3hqk s ASN 162 N -6.41 2.39 0.00 -0.69 2.20 -1.26 -4.78 114.94 106.39 3hqk s ASN 162 Ca -0.12 -0.95 0.00 0.00 -0.94 0.00 0.00 52.86 50.85 3hqk s ASN 162 Cb 0.14 -0.11 0.00 0.00 -2.00 0.00 0.00 41.25 39.28 3hqk s ASN 162 CO 0.84 -0.16 0.00 0.61 -2.94 0.00 0.00 177.10 175.45 3hqk n GLY 163 N -0.05 1.43 3.44 0.45 0.00 -1.26 -5.01 105.19 104.19 3hqk n GLY 163 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 3.54 -0.52 1.61 1.01 -1.26 -2.72 120.40 120.06 3hqk s VAL 164 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3hqk s VAL 164 Cb 0.00 -2.53 0.15 0.00 0.00 0.00 0.00 36.38 34.00 3hqk s VAL 164 CO 0.00 0.50 0.34 -0.76 0.00 0.00 0.00 175.10 175.19 3hqk s LEU 165 N 0.40 3.11 0.03 3.92 1.43 -0.99 -4.96 118.68 121.62 3hqk s LEU 165 Ca -0.07 -3.13 -0.24 0.00 -1.03 0.00 0.00 54.13 49.67 3hqk s LEU 165 Cb -0.15 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 3hqk s LEU 165 CO 0.04 -0.19 0.72 0.20 0.23 0.00 0.00 176.35 177.36 3hqk s ASN 166 N -0.31 7.14 0.01 2.29 0.01 -1.26 -3.45 114.94 119.37 3hqk s ASN 166 Ca 0.24 1.37 -0.10 0.00 -0.71 0.00 0.00 52.86 53.65 3hqk s ASN 166 Cb -0.11 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.11 3hqk s ASN 166 CO -0.10 0.03 0.20 -0.94 -1.51 0.00 0.00 177.10 174.78 3hqk s SER 167 N -0.04 -0.03 0.27 -1.22 1.04 -0.82 -5.03 113.70 107.86 3hqk s SER 167 Ca 0.37 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.64 3hqk s SER 167 Cb -0.20 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 3hqk s SER 167 CO 0.21 -0.43 0.04 0.79 0.98 0.00 0.00 173.24 174.83 3hqk n TRP 168 N 1.23 0.41 -4.38 5.02 7.02 -1.26 -1.93 117.44 123.54 3hqk n TRP 168 Ca -0.22 -1.48 -0.22 0.00 -1.02 0.00 0.00 57.50 54.56 3hqk n TRP 168 Cb 0.56 -0.11 -0.13 0.00 -2.42 0.00 0.00 31.31 29.21 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 -2.23 1.36 0.85 -0.99 2.01 -1.10 -4.95 115.64 110.59 3hqk s THR 169 Ca 0.05 -1.20 -0.12 0.00 0.31 0.00 0.00 61.69 60.74 3hqk s THR 169 Cb 0.00 -1.23 0.10 0.00 0.01 0.00 0.00 72.50 71.38 3hqk s THR 169 CO 0.04 0.01 1.10 -0.62 -0.69 0.00 0.00 174.62 174.46 3hqk s ASP 170 N -1.39 4.01 0.33 3.53 2.15 -1.26 -4.47 116.67 119.57 3hqk s ASP 170 Ca 0.03 1.26 -0.29 0.00 0.43 0.00 0.00 52.55 53.99 3hqk s ASP 170 Cb -0.09 -1.95 -0.12 0.00 -0.30 0.00 0.00 42.92 40.46 3hqk s ASP 170 CO 0.02 -2.27 1.40 1.67 -0.17 0.00 0.00 175.17 175.82 3hqk n GLN 171 N -3.62 2.34 -1.91 4.34 7.27 -1.26 -4.71 117.38 119.83 3hqk n GLN 171 Ca 0.07 0.83 -0.38 0.00 0.07 0.00 0.00 57.00 57.59 3hqk n GLN 171 Cb 0.57 -2.48 0.03 0.00 2.41 0.00 0.00 30.24 30.76 3hqk n GLN 171 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3hqk s ASP 172 N -0.08 5.42 0.05 1.69 3.68 -0.16 -4.88 116.67 122.39 3hqk s ASP 172 Ca 0.58 2.62 -0.01 0.00 2.13 0.00 0.00 52.55 57.86 3hqk s ASP 172 Cb -0.54 -2.62 -0.27 0.00 -1.45 0.00 0.00 42.92 38.04 3hqk s ASP 172 CO 0.59 -1.45 1.02 -1.28 0.13 0.00 0.00 175.17 174.17 3hqk h SER 173 N 1.48 0.31 0.83 -0.34 0.87 -1.90 -1.68 113.55 113.12 3hqk h SER 173 Ca -0.51 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 59.65 3hqk h SER 173 Cb 1.29 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 3hqk h SER 173 CO 0.57 1.31 -1.18 0.29 -0.53 0.00 0.00 176.83 177.30 3hqk n LYS 174 N -3.44 0.61 0.00 2.24 5.02 -1.26 -4.49 118.16 116.85 3hqk n LYS 174 Ca -0.11 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3hqk n LYS 174 Cb 1.02 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.63 3.88 0.00 4.39 3.85 -1.26 -5.05 116.55 119.72 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 0.58 0.56 0.00 0.00 -1.35 0.00 0.00 41.12 40.90 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 -1.44 -0.18 -4.87 -1.12 7.64 -0.63 -4.97 113.62 108.05 3hqk n SER 176 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 3hqk n SER 176 Cb 0.22 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.41 4.74 0.76 0.44 -4.23 -1.26 -4.11 115.64 108.57 3hqk s THR 177 Ca 0.00 0.72 -0.08 0.00 -1.18 0.00 0.00 61.69 61.15 3hqk s THR 177 Cb 0.00 -3.78 0.09 0.00 1.34 0.00 0.00 72.50 70.16 3hqk s THR 177 CO 0.00 -0.73 1.08 -0.31 -0.54 0.00 0.00 174.62 174.13 3hqk s TYR 178 N -2.63 2.56 0.18 3.99 1.51 0.63 -0.99 117.35 122.60 3hqk s TYR 178 Ca 0.53 0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 56.85 3hqk s TYR 178 Cb -0.10 -3.36 0.00 0.00 -0.11 0.00 0.00 41.96 38.39 3hqk s TYR 178 CO 0.38 -1.69 0.38 -1.12 -1.11 0.00 0.00 175.55 172.39 3hqk s SER 179 N -4.61 -0.07 -0.20 2.29 0.01 -1.26 -1.18 113.70 108.69 3hqk s SER 179 Ca 0.63 -0.75 -0.10 0.00 1.31 0.00 0.00 55.95 57.04 3hqk s SER 179 Cb -0.09 0.50 0.07 0.00 0.21 0.00 0.00 66.02 66.71 3hqk s SER 179 CO 0.46 -0.98 0.47 -0.32 0.41 0.00 0.00 173.24 173.29 3hqk s MET 180 N -3.94 0.45 -0.08 12.44 1.75 0.82 -2.71 119.30 128.03 3hqk s MET 180 Ca 0.15 0.91 -0.13 0.00 -1.25 0.00 0.00 55.69 55.37 3hqk s MET 180 Cb 0.01 0.05 -0.05 0.00 2.84 0.00 0.00 34.83 37.69 3hqk s MET 180 CO 0.00 -0.17 0.33 -1.12 -0.65 0.00 0.00 175.02 173.41 3hqk s SER 181 N 1.59 6.60 -0.02 1.11 0.01 -0.82 -2.06 113.70 120.11 3hqk s SER 181 Ca -0.09 0.71 0.06 0.00 1.31 0.00 0.00 55.95 57.94 3hqk s SER 181 Cb -0.08 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 3hqk s SER 181 CO -0.14 0.24 -0.20 -0.55 0.41 0.00 0.00 173.24 173.00 3hqk s SER 182 N -0.43 2.39 -0.05 2.44 0.15 -0.37 -1.94 113.70 115.89 3hqk s SER 182 Ca 0.20 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.47 3hqk s SER 182 Cb -0.14 -0.36 0.03 0.00 -1.71 0.00 0.00 66.02 63.83 3hqk s SER 182 CO 0.08 0.23 0.00 0.28 1.20 0.00 0.00 173.24 175.04 3hqk s THR 183 N -0.37 0.27 -0.62 6.45 -1.32 -1.22 -0.07 115.64 118.77 3hqk s THR 183 Ca 0.05 0.12 -0.17 0.00 -1.21 0.00 0.00 61.69 60.48 3hqk s THR 183 Cb -0.09 -0.41 0.13 0.00 -1.51 0.00 0.00 72.50 70.63 3hqk s THR 183 CO 0.00 0.21 0.64 -0.22 -2.21 0.00 0.00 174.62 173.04 3hqk s LEU 184 N 1.57 5.96 0.04 9.08 2.96 0.37 -2.34 118.68 136.32 3hqk s LEU 184 Ca -0.02 -1.82 0.01 0.00 -0.22 0.00 0.00 54.13 52.08 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 -0.91 0.11 -0.89 -1.32 0.00 0.00 176.35 173.31 3hqk s THR 185 N 1.79 4.82 0.00 3.68 2.01 -1.10 0.11 115.64 126.95 3hqk s THR 185 Ca 0.09 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.56 3hqk s THR 185 Cb -0.24 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 68.99 3hqk s THR 185 CO 0.02 0.22 0.00 0.00 -0.69 0.00 0.00 174.62 174.17 3hqk n LEU 186 N 0.71 0.00 -4.43 4.42 -0.00 0.55 -4.77 117.00 113.47 3hqk n LEU 186 Ca -0.10 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.53 3hqk n LEU 186 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.97 3hqk n LEU 186 CO 0.43 0.00 -0.04 0.41 -0.00 0.00 0.00 177.39 178.19 3hqk n THR 187 N 0.00 1.86 -0.12 1.47 -1.04 -1.26 -1.41 114.28 113.79 3hqk n THR 187 Ca 0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 3hqk n THR 187 Cb 0.00 -0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 67.92 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 0.26 0.81 -0.78 -2.82 3.64 -1.85 -3.21 116.57 112.62 3hqk h LYS 188 Ca -0.44 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 58.51 3hqk h LYS 188 Cb 1.41 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.19 3hqk h LYS 188 CO 0.47 1.02 0.38 -0.44 -2.27 0.00 0.00 179.45 178.61 3hqk h ASP 189 N 0.59 1.02 -0.50 4.20 5.19 -1.90 -1.10 116.42 123.93 3hqk h ASP 189 Ca 0.07 -0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.31 3hqk h ASP 189 Cb 0.83 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 3hqk h ASP 189 CO 0.07 0.87 0.20 -0.33 -3.12 0.00 0.00 179.24 176.93 3hqk h GLU 190 N 1.10 0.75 -0.78 3.56 4.39 -1.93 -0.43 114.58 121.23 3hqk h GLU 190 Ca 0.27 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 3hqk h GLU 190 Cb 0.12 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3hqk h GLU 190 CO -0.03 0.66 0.35 -0.92 -1.16 0.00 0.00 179.01 177.91 3hqk h TYR 191 N 0.67 1.16 -0.79 4.33 3.20 -1.51 -2.57 116.97 121.45 3hqk h TYR 191 Ca 0.17 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3hqk h TYR 191 Cb 0.20 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 3hqk h TYR 191 CO 0.00 0.86 0.35 1.49 -1.64 0.00 0.00 178.16 179.23 3hqk h GLU 192 N 1.12 1.15 -0.70 1.82 4.81 -0.67 -3.26 114.58 118.85 3hqk h GLU 192 Ca 0.27 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3hqk h GLU 192 Cb 0.16 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3hqk h GLU 192 CO -0.03 0.90 0.26 -0.09 -0.73 0.00 0.00 179.01 179.32 3hqk h ARG 193 N 1.13 1.07 -6.70 1.92 9.65 -0.67 -3.45 114.38 117.32 3hqk h ARG 193 Ca 0.27 -0.21 -0.44 0.00 -1.10 0.00 0.00 59.98 58.50 3hqk h ARG 193 Cb 0.15 -0.17 0.04 0.00 -1.39 0.00 0.00 29.97 28.60 3hqk h ARG 193 CO -0.03 0.89 -0.11 -1.01 2.80 0.00 0.00 179.97 182.52 3hqk s HIS 194 N -5.50 2.51 0.00 2.20 3.76 -1.17 -5.07 115.29 112.02 3hqk s HIS 194 Ca -0.12 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 3hqk s HIS 194 Cb 0.14 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 31.26 3hqk s HIS 194 CO 0.82 -0.84 0.25 -1.71 -0.85 0.00 0.00 174.74 172.41 3hqk n ASN 195 N -2.21 0.00 -4.10 1.40 5.15 -1.26 -4.93 115.26 109.31 3hqk n ASN 195 Ca 0.10 -1.00 -0.34 0.00 -0.60 0.00 0.00 54.58 52.74 3hqk n ASN 195 Cb 0.60 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.71 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 0.00 4.85 -0.21 1.20 0.15 -1.26 -3.69 113.70 114.74 3hqk s SER 196 Ca 0.00 -1.69 -0.01 0.00 0.70 0.00 0.00 55.95 54.95 3hqk s SER 196 Cb 0.00 -1.68 0.02 0.00 -1.71 0.00 0.00 66.02 62.64 3hqk s SER 196 CO 0.00 -0.34 -0.13 -0.31 1.20 0.00 0.00 173.24 173.66 3hqk s TYR 197 N 1.11 2.91 0.09 3.44 4.12 -0.94 0.36 117.35 128.43 3hqk s TYR 197 Ca 0.01 -1.48 0.04 0.00 0.02 0.00 0.00 57.07 55.66 3hqk s TYR 197 Cb -0.20 -2.00 -0.03 0.00 -1.52 0.00 0.00 41.96 38.21 3hqk s TYR 197 CO -0.04 -0.73 -0.12 0.95 0.02 0.00 0.00 175.55 175.63 3hqk s THR 198 N 1.34 1.01 -0.08 -0.71 -4.23 -1.21 -1.70 115.64 110.06 3hqk s THR 198 Ca 0.03 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 3hqk s THR 198 Cb -0.14 -1.20 0.02 0.00 1.34 0.00 0.00 72.50 72.52 3hqk s THR 198 CO -0.08 -0.40 -0.07 0.00 -0.54 0.00 0.00 174.62 173.53 3hqk s GLU 200 N 1.35 3.49 -0.31 0.00 2.02 -1.26 -3.53 118.70 120.47 3hqk s GLU 200 Ca -0.03 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 54.58 3hqk s GLU 200 Cb -0.14 -2.95 0.10 0.00 0.10 0.00 0.00 34.13 31.25 3hqk s GLU 200 CO -0.03 0.53 0.12 0.00 0.02 0.00 0.00 175.26 175.89 3hqk s ALA 201 N -1.64 1.18 -0.15 5.21 0.00 -1.13 -0.72 121.76 124.50 3hqk s ALA 201 Ca 0.37 -1.48 -0.17 0.00 0.00 0.00 0.00 51.96 50.67 3hqk s ALA 201 Cb -0.12 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 3hqk s ALA 201 CO 0.27 -1.69 0.45 0.95 0.00 0.00 0.00 175.76 175.75 3hqk s THR 202 N 1.75 5.19 0.09 0.00 -4.23 -1.22 -2.15 115.64 115.06 3hqk s THR 202 Ca 0.10 0.87 0.03 0.00 -1.18 0.00 0.00 61.69 61.50 3hqk s THR 202 Cb -0.17 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 3hqk s THR 202 CO -0.28 0.29 -0.08 -2.28 -0.54 0.00 0.00 174.62 171.73 3hqk s HIS 203 N 0.94 0.91 0.47 3.99 2.46 -1.26 -2.16 115.29 120.64 3hqk s HIS 203 Ca 0.23 -0.75 0.20 0.00 0.47 0.00 0.00 55.06 55.21 3hqk s HIS 203 Cb -0.15 -0.52 1.26 0.00 -0.13 0.00 0.00 32.58 33.05 3hqk s HIS 203 CO 0.09 -0.08 2.07 1.57 -2.47 0.00 0.00 174.74 175.92 3hqk h LYS 204 N 3.43 0.00 -0.75 2.88 2.10 -1.95 -2.85 116.57 119.43 3hqk h LYS 204 Ca -0.36 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.31 3hqk h LYS 204 Cb 1.18 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.47 3hqk h LYS 204 CO 0.57 0.11 0.48 1.79 -2.00 0.00 0.00 179.45 180.40 3hqk h THR 205 N 0.00 1.15 -3.56 0.07 1.35 -1.89 -3.41 112.91 106.62 3hqk h THR 205 Ca -0.00 -0.33 -0.55 0.00 -0.55 0.00 0.00 66.41 64.98 3hqk h THR 205 Cb 0.22 0.10 -0.33 0.00 -1.73 0.00 0.00 68.15 66.42 3hqk h THR 205 CO 0.01 0.18 -0.83 -0.55 -0.25 0.00 0.00 175.52 174.08 3hqk s SER 206 N -5.83 2.03 0.41 5.36 0.15 -1.08 -4.99 113.70 109.76 3hqk s SER 206 Ca -0.13 -0.34 0.28 0.00 0.70 0.00 0.00 55.95 56.46 3hqk s SER 206 Cb 0.15 -0.82 1.05 0.00 -1.71 0.00 0.00 66.02 64.70 3hqk s SER 206 CO 0.78 0.09 1.83 0.71 1.20 0.00 0.00 173.24 177.84 3hqk h THR 207 N 5.71 0.00 -3.55 6.45 1.35 -1.81 -3.36 112.91 117.70 3hqk h THR 207 Ca -0.30 -0.50 -0.61 0.00 -0.55 0.00 0.00 66.41 64.46 3hqk h THR 207 Cb 1.19 1.42 -0.12 0.00 -1.73 0.00 0.00 68.15 68.91 3hqk h THR 207 CO 0.48 0.00 -0.09 -0.94 -0.25 0.00 0.00 175.52 174.71 3hqk s SER 208 N -5.22 6.44 0.52 5.36 1.04 -1.26 -4.97 113.70 115.61 3hqk s SER 208 Ca 0.04 0.53 -0.18 0.00 0.48 0.00 0.00 55.95 56.82 3hqk s SER 208 Cb 0.09 -2.26 -0.13 0.00 0.10 0.00 0.00 66.02 63.82 3hqk s SER 208 CO 0.52 -0.20 0.13 -2.65 0.98 0.00 0.00 173.24 172.03 3hqk n PRO 209 N 5.08 0.20 -3.74 4.02 -0.02 -1.26 -4.86 135.00 134.41 3hqk n PRO 209 Ca -0.06 0.08 -0.37 0.00 -2.02 0.00 0.00 63.50 61.13 3hqk n PRO 209 Cb 0.50 -1.26 -0.12 0.00 -0.02 0.00 0.00 33.50 32.60 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 -1.87 4.24 -0.03 4.25 1.01 -0.91 -4.91 121.20 122.98 3hqk s ILE 210 Ca 0.61 -0.34 0.07 0.00 0.00 0.00 0.00 60.65 60.99 3hqk s ILE 210 Cb -0.49 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 3hqk s ILE 210 CO 0.62 0.24 -0.24 -0.69 0.00 0.00 0.00 174.94 174.86 3hqk s VAL 211 N 1.58 2.18 0.10 2.92 1.01 -1.26 -2.84 120.40 124.09 3hqk s VAL 211 Ca 0.05 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.03 3hqk s VAL 211 Cb -0.16 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3hqk s VAL 211 CO 0.03 0.58 -0.15 -0.54 0.00 0.00 0.00 175.10 175.02 3hqk s LYS 212 N -0.60 0.97 0.15 2.72 -0.14 -1.23 -5.05 119.74 116.57 3hqk s LYS 212 Ca 0.09 -1.13 -0.13 0.00 -1.36 0.00 0.00 55.97 53.44 3hqk s LYS 212 Cb -0.10 -0.95 0.01 0.00 -1.68 0.00 0.00 37.83 35.11 3hqk s LYS 212 CO -0.01 0.20 0.36 0.45 -0.76 0.00 0.00 175.35 175.59 3hqk s SER 213 N -2.14 -0.09 -0.04 2.83 0.15 -1.26 -2.44 113.70 110.71 3hqk s SER 213 Ca 0.05 -0.61 -0.08 0.00 0.70 0.00 0.00 55.95 56.01 3hqk s SER 213 Cb -0.07 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 3hqk s SER 213 CO 0.03 -0.90 0.19 0.12 1.20 0.00 0.00 173.24 173.88 3hqk s PHE 214 N -3.89 -0.12 0.04 3.44 5.36 -0.69 -5.00 117.98 117.12 3hqk s PHE 214 Ca 0.10 0.27 0.02 0.00 -0.96 0.00 0.00 56.93 56.36 3hqk s PHE 214 Cb 0.02 0.03 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 3hqk s PHE 214 CO -0.05 -0.20 -0.08 -0.80 -1.46 0.00 0.00 175.22 172.62 3hqk s ASN 215 N -0.60 0.88 0.00 6.13 0.01 -1.26 -2.22 114.94 117.88 3hqk s ASN 215 Ca -0.07 -0.56 0.26 0.00 -0.71 0.00 0.00 52.86 51.78 3hqk s ASN 215 Cb -0.04 0.03 0.55 0.00 0.41 0.00 0.00 41.25 42.20 3hqk s ASN 215 CO 0.01 -0.20 1.46 0.54 -1.51 0.00 0.00 177.10 177.40