#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxk n GLY 4 N 0.00 2.69 4.38 7.63 0.00 -1.26 -0.13 105.19 118.50 3gxk n GLY 4 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3gxk n GLY 4 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gxk n TYR 5 N 12.03 0.00 0.00 1.61 4.01 -1.26 -5.03 117.16 128.52 3gxk n TYR 5 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3gxk n TYR 5 Cb 0.00 -1.25 0.00 0.00 -0.31 0.00 0.00 39.34 37.78 3gxk n TYR 5 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gxk n GLY 6 N -2.00 3.53 3.43 2.72 0.00 0.82 -4.56 105.19 109.13 3gxk n GLY 6 Ca 0.00 -1.73 -0.44 0.00 0.00 0.00 0.00 46.02 43.85 3gxk n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gxk s ASP 7 N 0.00 6.20 0.52 1.61 -1.08 -1.25 -3.99 116.67 118.67 3gxk s ASP 7 Ca 0.00 -1.11 0.28 0.00 -0.52 0.00 0.00 52.55 51.21 3gxk s ASP 7 Cb 0.00 -2.36 1.41 0.00 -1.46 0.00 0.00 42.92 40.51 3gxk s ASP 7 CO 0.00 -1.23 1.91 -0.29 0.52 0.00 0.00 175.17 176.08 3gxk h ILE 8 N 5.94 0.61 0.00 4.11 6.09 -1.94 0.28 117.51 132.60 3gxk h ILE 8 Ca -0.29 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 3gxk h ILE 8 Cb 1.08 0.54 0.00 0.00 0.47 0.00 0.00 36.82 38.91 3gxk h ILE 8 CO 1.12 0.01 0.00 0.71 -3.07 0.00 0.00 178.15 176.92 3gxk h THR 9 N 0.06 0.00 -0.39 2.19 1.35 -1.96 -3.07 112.91 111.09 3gxk h THR 9 Ca 0.40 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 3gxk h THR 9 Cb 1.49 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3gxk h THR 9 CO -0.03 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.24 3gxk n GLN 10 N -2.38 3.08 -3.29 4.72 1.13 0.98 -4.94 117.38 116.69 3gxk n GLN 10 Ca 0.01 -2.51 -0.38 0.00 -1.94 0.00 0.00 57.00 52.18 3gxk n GLN 10 Cb 0.20 -1.60 -0.06 0.00 0.11 0.00 0.00 30.24 28.89 3gxk n GLN 10 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gxk s VAL 11 N -1.80 5.04 0.27 5.09 1.01 -1.16 -4.94 120.40 123.90 3gxk s VAL 11 Ca 0.36 1.07 -0.26 0.00 0.00 0.00 0.00 61.98 63.15 3gxk s VAL 11 Cb 0.24 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 3gxk s VAL 11 CO 0.16 0.40 0.89 -1.61 0.00 0.00 0.00 175.10 174.94 3gxk s GLU 12 N 0.01 4.60 -0.11 2.72 0.41 -1.26 -5.04 118.70 120.03 3gxk s GLU 12 Ca 0.28 1.28 -0.13 0.00 -0.41 0.00 0.00 54.97 55.99 3gxk s GLU 12 Cb -0.17 -2.96 0.03 0.00 -1.78 0.00 0.00 34.13 29.25 3gxk s GLU 12 CO 0.14 0.38 0.34 -0.08 -0.49 0.00 0.00 175.26 175.55 3gxk s THR 13 N -1.46 0.01 -1.85 3.63 -1.32 -1.26 -4.95 115.64 108.44 3gxk s THR 13 Ca 0.46 -0.10 0.21 0.00 -1.21 0.00 0.00 61.69 61.05 3gxk s THR 13 Cb -0.20 -0.52 0.57 0.00 -1.51 0.00 0.00 72.50 70.84 3gxk s THR 13 CO 0.25 -0.05 1.48 -1.54 -2.21 0.00 0.00 174.62 172.55 3gxk n SER 14 N 2.55 3.76 0.00 8.08 3.41 -1.26 -4.91 113.62 125.24 3gxk n SER 14 Ca -0.15 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 3gxk n SER 14 Cb 0.57 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3gxk n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxk n GLY 15 N 1.46 1.06 3.83 5.00 0.00 -1.24 -3.76 105.19 111.54 3gxk n GLY 15 Ca 0.22 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3gxk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxk s ALA 16 N -1.90 3.01 0.78 4.61 0.00 -0.86 -3.31 121.76 124.10 3gxk s ALA 16 Ca 0.00 0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.19 3gxk s ALA 16 Cb 0.00 -3.15 0.08 0.00 0.00 0.00 0.00 23.12 20.04 3gxk s ALA 16 CO 0.00 -0.11 1.13 -1.54 0.00 0.00 0.00 175.76 175.23 3gxk s SER 17 N -2.54 4.58 0.31 0.00 1.04 -1.26 -0.22 113.70 115.61 3gxk s SER 17 Ca 0.61 0.65 -0.00 0.00 0.48 0.00 0.00 55.95 57.69 3gxk s SER 17 Cb -0.11 -1.19 0.51 0.00 0.10 0.00 0.00 66.02 65.33 3gxk s SER 17 CO 0.22 -1.82 1.98 0.28 0.98 0.00 0.00 173.24 174.88 3gxk h SER 18 N -0.91 0.88 -0.11 7.02 0.02 -1.92 -1.85 113.55 116.68 3gxk h SER 18 Ca -0.45 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.50 3gxk h SER 18 Cb 1.32 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 3gxk h SER 18 CO 0.63 0.63 -0.05 0.50 -1.14 0.00 0.00 176.83 177.40 3gxk h LYS 19 N 1.04 -0.04 0.01 3.45 3.64 -1.93 -1.49 116.57 121.25 3gxk h LYS 19 Ca 0.29 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.46 3gxk h LYS 19 Cb -0.09 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3gxk h LYS 19 CO -0.07 -0.02 -0.93 0.00 -2.27 0.00 0.00 179.45 176.16 3gxk h THR 20 N -0.04 1.45 0.00 1.00 1.03 -1.83 -3.21 112.91 111.32 3gxk h THR 20 Ca 0.06 -2.56 -0.02 0.00 -0.01 0.00 0.00 66.41 63.89 3gxk h THR 20 Cb 0.13 2.47 -0.00 0.00 -1.07 0.00 0.00 68.15 69.67 3gxk h THR 20 CO -0.14 0.75 -0.09 0.77 -0.01 0.00 0.00 175.52 176.81 3gxk h SER 21 N 0.17 0.00 0.14 0.00 4.64 -1.03 -0.95 113.55 116.52 3gxk h SER 21 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3gxk h SER 21 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3gxk h SER 21 CO 0.15 0.09 0.00 0.54 -0.87 0.00 0.00 176.83 176.74 3gxk n ARG 22 N -3.38 0.10 0.22 4.77 1.74 -0.59 -1.67 116.66 117.85 3gxk n ARG 22 Ca -0.01 0.55 0.10 0.00 -0.77 0.00 0.00 57.85 57.72 3gxk n ARG 22 Cb 0.26 -1.80 0.41 0.00 -1.02 0.00 0.00 32.46 30.30 3gxk n ARG 22 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3gxk h GLN 23 N 0.00 0.00 -0.45 5.56 4.20 -1.32 -0.48 115.11 122.61 3gxk h GLN 23 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gxk h GLN 23 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3gxk h GLN 23 CO 0.00 0.21 0.00 -0.25 -0.67 0.00 0.00 178.83 178.12 3gxk n ASP 24 N -3.31 3.29 -2.04 1.46 9.92 -1.03 -4.97 116.55 119.87 3gxk n ASP 24 Ca 0.01 -2.06 -0.17 0.00 -0.53 0.00 0.00 54.79 52.04 3gxk n ASP 24 Cb 0.46 -0.32 -0.00 0.00 -0.64 0.00 0.00 41.12 40.62 3gxk n ASP 24 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3gxk n LYS 25 N 0.78 -1.90 -2.82 -1.24 4.76 -0.19 -4.99 118.16 112.56 3gxk n LYS 25 Ca 0.16 0.80 -0.35 0.00 -2.87 0.00 0.00 58.31 56.05 3gxk n LYS 25 Cb 0.51 -5.25 -0.07 0.00 -1.84 0.00 0.00 35.03 28.38 3gxk n LYS 25 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gxk s LEU 26 N -4.98 4.14 -0.10 -0.35 1.02 -0.67 -4.96 118.68 112.78 3gxk s LEU 26 Ca 0.05 1.73 0.17 0.00 0.02 0.00 0.00 54.13 56.10 3gxk s LEU 26 Cb -0.02 -4.26 0.65 0.00 0.02 0.00 0.00 46.19 42.58 3gxk s LEU 26 CO 0.06 -0.21 1.55 -0.62 0.02 0.00 0.00 176.35 177.15 3gxk n GLU 27 N -0.05 3.46 -4.14 1.70 -0.58 -1.26 -4.42 120.64 115.35 3gxk n GLU 27 Ca 0.04 -2.58 -0.10 0.00 -0.42 0.00 0.00 57.16 54.10 3gxk n GLU 27 Cb 0.52 -1.83 -0.10 0.00 -0.57 0.00 0.00 31.44 29.46 3gxk n GLU 27 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 3gxk s TYR 28 N -1.81 0.85 0.00 -0.32 -0.85 -1.26 -5.18 117.35 108.78 3gxk s TYR 28 Ca 0.46 -1.20 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 3gxk s TYR 28 Cb 0.30 -0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.20 3gxk s TYR 28 CO 0.22 -0.56 0.00 -0.40 -1.52 0.00 0.00 175.55 173.29 3gxk n ASP 29 N -0.14 1.36 0.00 -0.18 5.75 -1.26 -4.69 116.55 117.39 3gxk n ASP 29 Ca -0.04 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 3gxk n ASP 29 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 3gxk n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gxk n GLY 30 N 3.40 -1.04 0.24 6.12 0.00 0.70 -3.29 105.19 111.30 3gxk n GLY 30 Ca 0.00 -1.30 -0.07 0.00 0.00 0.00 0.00 46.02 44.65 3gxk n GLY 30 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gxk h VAL 31 N 0.00 1.29 -0.31 1.61 2.07 -1.85 -1.83 116.25 117.23 3gxk h VAL 31 Ca 0.00 -1.48 0.06 0.00 0.82 0.00 0.00 66.70 66.11 3gxk h VAL 31 Cb 0.00 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3gxk h VAL 31 CO 0.00 0.47 -0.09 0.03 0.02 0.00 0.00 177.57 178.00 3gxk h ARG 32 N 0.53 -0.02 -0.21 1.57 3.08 -1.95 0.17 114.38 117.55 3gxk h ARG 32 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3gxk h ARG 32 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3gxk h ARG 32 CO 0.07 -0.01 0.12 0.00 -1.07 0.00 0.00 179.97 179.08 3gxk h ALA 33 N 1.29 0.27 -0.55 0.04 0.00 -1.45 -1.60 119.26 117.27 3gxk h ALA 33 Ca 0.15 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3gxk h ALA 33 Cb 0.25 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 3gxk h ALA 33 CO -0.33 -0.21 0.03 0.77 0.00 0.00 0.00 179.25 179.51 3gxk h SER 34 N 0.25 -0.17 -0.71 0.00 0.02 -1.11 -1.17 113.55 110.67 3gxk h SER 34 Ca 0.08 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3gxk h SER 34 Cb 0.04 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3gxk h SER 34 CO -0.01 -0.06 0.36 0.45 -1.14 0.00 0.00 176.83 176.43 3gxk h HIS 35 N 0.15 1.00 -0.69 3.45 -0.00 -0.60 -1.54 115.15 116.92 3gxk h HIS 35 Ca 0.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 3gxk h HIS 35 Cb 0.43 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 3gxk h HIS 35 CO -0.31 0.73 0.39 1.15 -0.00 0.00 0.00 177.93 179.90 3gxk h THR 36 N 0.98 1.21 -0.34 2.45 2.02 -0.87 -0.33 112.91 118.03 3gxk h THR 36 Ca 0.25 -0.49 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 3gxk h THR 36 Cb 0.09 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3gxk h THR 36 CO -0.03 0.22 -0.24 0.24 0.37 0.00 0.00 175.52 176.08 3gxk h MET 37 N 0.94 0.68 -0.18 6.66 2.86 -0.97 -1.07 114.93 123.84 3gxk h MET 37 Ca 0.24 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3gxk h MET 37 Cb 0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 3gxk h MET 37 CO -0.04 0.86 -0.14 0.00 1.06 0.00 0.00 176.91 178.64 3gxk h ALA 38 N 1.14 0.26 -0.60 6.32 0.00 -1.15 -2.88 119.26 122.35 3gxk h ALA 38 Ca 0.08 -0.32 0.12 0.00 0.00 0.00 0.00 54.91 54.79 3gxk h ALA 38 Cb 0.72 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3gxk h ALA 38 CO 0.06 0.14 0.05 0.37 0.00 0.00 0.00 179.25 179.87 3gxk h GLN 39 N 0.08 0.17 -0.60 0.00 4.15 -0.74 -1.21 115.11 116.96 3gxk h GLN 39 Ca 0.03 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.57 3gxk h GLN 39 Cb 0.66 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.21 3gxk h GLN 39 CO 0.04 0.11 -0.01 1.15 -1.93 0.00 0.00 178.83 178.19 3gxk h THR 40 N 0.17 0.50 -0.00 2.39 2.02 -1.22 -2.88 112.91 113.89 3gxk h THR 40 Ca 0.32 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.46 3gxk h THR 40 Cb 0.50 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3gxk h THR 40 CO -0.47 0.02 -0.13 0.47 0.37 0.00 0.00 175.52 175.78 3gxk n ASP 41 N -5.29 0.18 0.25 4.18 8.00 -0.53 -4.18 116.55 119.17 3gxk n ASP 41 Ca 0.08 0.10 0.10 0.00 0.71 0.00 0.00 54.79 55.78 3gxk n ASP 41 Cb 0.34 -0.24 0.64 0.00 -0.02 0.00 0.00 41.12 41.84 3gxk n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxk h ALA 42 N 3.14 1.45 0.40 2.24 0.00 -1.15 -1.31 119.26 124.03 3gxk h ALA 42 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3gxk h ALA 42 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gxk h ALA 42 CO 0.00 0.18 -0.19 0.78 0.00 0.00 0.00 179.25 180.02 3gxk h GLY 43 N 0.71 -0.55 1.13 0.00 0.00 -1.78 -2.62 103.07 99.95 3gxk h GLY 43 Ca -0.00 0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.59 3gxk h GLY 43 CO 0.02 -0.20 0.44 3.21 0.00 0.00 0.00 176.54 180.00 3gxk h ARG 44 N -0.91 0.66 -0.37 4.80 3.08 -1.82 -2.77 114.38 117.05 3gxk h ARG 44 Ca -0.05 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3gxk h ARG 44 Cb 0.55 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3gxk h ARG 44 CO 0.09 0.44 0.11 1.98 -1.07 0.00 0.00 179.97 181.52 3gxk h MET 45 N 0.68 0.53 -0.93 0.04 4.05 -1.17 -3.07 114.93 115.07 3gxk h MET 45 Ca 0.28 -0.08 0.24 0.00 -0.28 0.00 0.00 59.70 59.86 3gxk h MET 45 Cb 0.24 -0.10 -0.13 0.00 -0.80 0.00 0.00 31.60 30.82 3gxk h MET 45 CO -0.09 0.48 0.44 0.93 0.23 0.00 0.00 176.91 178.90 3gxk h GLU 46 N 0.53 0.41 -0.83 0.39 5.08 -1.17 0.15 114.58 119.14 3gxk h GLU 46 Ca 0.13 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.65 3gxk h GLU 46 Cb 0.17 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3gxk h GLU 46 CO -0.01 0.27 0.56 -0.22 -1.00 0.00 0.00 179.01 178.61 3gxk h LYS 47 N 0.42 0.30 -0.03 2.33 3.64 -1.72 -2.62 116.57 118.90 3gxk h LYS 47 Ca 0.59 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 3gxk h LYS 47 Cb 1.16 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3gxk h LYS 47 CO -0.53 0.20 -0.02 0.66 -2.27 0.00 0.00 179.45 177.48 3gxk n TYR 48 N -4.45 0.00 -0.09 1.91 4.01 0.03 -4.67 117.16 113.89 3gxk n TYR 48 Ca 0.17 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.85 3gxk n TYR 48 Cb 0.69 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.72 3gxk n TYR 48 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3gxk h LYS 49 N 4.48 0.11 -0.14 -0.72 3.64 -1.30 0.37 116.57 123.01 3gxk h LYS 49 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3gxk h LYS 49 Cb 0.96 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3gxk h LYS 49 CO 0.00 0.07 0.09 0.77 -2.27 0.00 0.00 179.45 178.11 3gxk h SER 50 N 0.11 0.17 -0.36 4.20 0.02 -1.83 0.26 113.55 116.12 3gxk h SER 50 Ca 0.16 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3gxk h SER 50 Cb 0.21 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 3gxk h SER 50 CO -0.25 0.14 0.08 -0.26 -1.14 0.00 0.00 176.83 175.40 3gxk h PHE 51 N 0.18 0.14 -0.53 3.45 0.04 -1.77 -2.08 116.94 116.37 3gxk h PHE 51 Ca 0.05 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.88 3gxk h PHE 51 Cb -0.00 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 3gxk h PHE 51 CO -0.06 0.03 0.29 0.82 -0.60 0.00 0.00 178.31 178.79 3gxk h ILE 52 N 0.21 1.00 -0.39 -0.55 2.04 -0.56 -1.33 117.51 117.92 3gxk h ILE 52 Ca 0.17 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 3gxk h ILE 52 Cb 0.19 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3gxk h ILE 52 CO -0.21 0.10 -0.23 0.78 0.00 0.00 0.00 178.15 178.59 3gxk h ASN 53 N 0.57 0.79 -0.20 1.72 2.35 -0.67 -0.94 115.58 119.20 3gxk h ASN 53 Ca 0.23 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3gxk h ASN 53 Cb 0.09 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3gxk h ASN 53 CO -0.13 0.99 0.02 0.78 -1.65 0.00 0.00 177.43 177.44 3gxk h ASN 54 N 0.68 0.33 -0.46 5.81 -0.26 -1.20 -1.84 115.58 118.64 3gxk h ASN 54 Ca 0.09 -0.28 -0.06 0.00 -0.56 0.00 0.00 56.30 55.49 3gxk h ASN 54 Cb 0.74 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.89 3gxk h ASN 54 CO 0.06 0.53 0.03 0.58 -1.06 0.00 0.00 177.43 177.57 3gxk h VAL 55 N 0.13 1.26 -0.37 2.81 2.07 -1.18 -2.54 116.25 118.43 3gxk h VAL 55 Ca 0.06 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.67 3gxk h VAL 55 Cb 0.34 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 3gxk h VAL 55 CO 0.01 0.34 -0.10 0.00 0.02 0.00 0.00 177.57 177.84 3gxk h ALA 56 N 0.93 0.24 -0.70 1.67 0.00 -1.15 -1.01 119.26 119.23 3gxk h ALA 56 Ca 0.13 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3gxk h ALA 56 Cb 0.45 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3gxk h ALA 56 CO 0.02 -0.46 0.27 1.57 0.00 0.00 0.00 179.25 180.64 3gxk h LYS 57 N -0.01 1.05 -0.75 0.00 2.10 -1.25 -0.78 116.57 116.93 3gxk h LYS 57 Ca 0.18 -0.20 0.05 0.00 -2.00 0.00 0.00 60.65 58.68 3gxk h LYS 57 Cb 0.28 -0.17 -0.05 0.00 -0.90 0.00 0.00 32.23 31.39 3gxk h LYS 57 CO -0.39 0.88 0.45 -0.22 -2.00 0.00 0.00 179.45 178.17 3gxk h LYS 58 N 1.00 0.82 -0.02 0.07 3.64 -0.98 -2.94 116.57 118.16 3gxk h LYS 58 Ca 0.23 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3gxk h LYS 58 Cb 0.23 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3gxk h LYS 58 CO -0.02 0.55 -0.12 0.72 -2.27 0.00 0.00 179.45 178.31 3gxk n HIS 59 N -4.68 0.00 -3.57 1.91 8.25 -0.44 -4.97 115.22 111.71 3gxk n HIS 59 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 3gxk n HIS 59 Cb 0.15 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.31 3gxk n HIS 59 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gxk n VAL 60 N 0.82 -5.54 -4.61 1.59 0.31 -0.40 -5.02 118.33 105.48 3gxk n VAL 60 Ca 0.13 -0.63 -0.22 0.00 -0.01 0.00 0.00 64.34 63.61 3gxk n VAL 60 Cb 0.53 -4.48 -0.15 0.00 -0.91 0.00 0.00 33.84 28.84 3gxk n VAL 60 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3gxk s VAL 61 N -3.54 1.05 0.03 2.52 1.01 -0.60 -4.69 120.40 116.18 3gxk s VAL 61 Ca 0.09 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3gxk s VAL 61 Cb -0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 3gxk s VAL 61 CO 0.78 0.30 1.89 -0.62 0.00 0.00 0.00 175.10 177.46 3gxk s ASP 62 N -0.31 6.49 0.51 3.32 -1.08 -1.26 -4.52 116.67 119.82 3gxk s ASP 62 Ca 0.05 2.60 0.28 0.00 -0.52 0.00 0.00 52.55 54.96 3gxk s ASP 62 Cb -0.05 -2.53 1.38 0.00 -1.46 0.00 0.00 42.92 40.26 3gxk s ASP 62 CO -0.01 -1.02 1.88 -0.65 0.52 0.00 0.00 175.17 175.89 3gxk h PRO 63 N 10.20 0.10 -0.70 4.34 0.11 -1.86 0.11 132.00 144.29 3gxk h PRO 63 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3gxk h PRO 63 Cb 1.22 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3gxk h PRO 63 CO 0.94 0.06 0.24 0.00 -0.21 0.00 0.00 178.00 179.03 3gxk h ALA 64 N 1.58 1.09 -0.43 -0.75 0.00 -1.90 -1.30 119.26 117.55 3gxk h ALA 64 Ca 0.43 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3gxk h ALA 64 Cb 1.56 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3gxk h ALA 64 CO -0.05 0.63 0.08 0.28 0.00 0.00 0.00 179.25 180.18 3gxk h VAL 65 N 1.03 1.24 -0.52 0.00 2.07 -1.08 -1.97 116.25 117.02 3gxk h VAL 65 Ca 0.23 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3gxk h VAL 65 Cb 0.26 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3gxk h VAL 65 CO -0.01 0.30 0.34 0.40 0.02 0.00 0.00 177.57 178.61 3gxk h ILE 66 N 0.57 1.14 -0.74 4.57 2.04 -1.35 -2.01 117.51 121.73 3gxk h ILE 66 Ca 0.13 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3gxk h ILE 66 Cb 0.36 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3gxk h ILE 66 CO 0.01 0.14 0.49 0.00 0.00 0.00 0.00 178.15 178.78 3gxk h ALA 67 N 1.18 0.94 -0.54 1.87 0.00 -1.17 -0.78 119.26 120.77 3gxk h ALA 67 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3gxk h ALA 67 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3gxk h ALA 67 CO -0.04 0.34 0.23 0.00 0.00 0.00 0.00 179.25 179.79 3gxk h ALA 68 N 1.28 0.69 -0.51 0.00 0.00 -1.23 0.12 119.26 119.60 3gxk h ALA 68 Ca 0.27 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3gxk h ALA 68 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3gxk h ALA 68 CO -0.06 0.29 0.30 0.82 0.00 0.00 0.00 179.25 180.60 3gxk h ILE 69 N 0.72 1.05 -0.72 0.00 2.04 -1.12 0.25 117.51 119.74 3gxk h ILE 69 Ca 0.18 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3gxk h ILE 69 Cb 0.17 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3gxk h ILE 69 CO -0.02 0.11 0.47 0.40 0.00 0.00 0.00 178.15 179.11 3gxk h ILE 70 N 0.60 1.19 -0.39 -0.67 2.04 -0.75 0.49 117.51 120.02 3gxk h ILE 70 Ca 0.20 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3gxk h ILE 70 Cb 0.02 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 3gxk h ILE 70 CO -0.09 0.19 0.22 -1.28 0.00 0.00 0.00 178.15 177.18 3gxk h SER 71 N 0.98 0.49 -0.39 1.72 0.87 -0.58 -1.85 113.55 114.78 3gxk h SER 71 Ca 0.26 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 3gxk h SER 71 Cb -0.09 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3gxk h SER 71 CO -0.05 0.43 -0.15 -0.09 -0.53 0.00 0.00 176.83 176.44 3gxk h ARG 72 N 0.50 0.79 0.17 2.24 9.65 -0.60 -1.53 114.38 125.60 3gxk h ARG 72 Ca 0.14 -0.33 -0.32 0.00 -1.10 0.00 0.00 59.98 58.38 3gxk h ARG 72 Cb 0.05 -0.03 0.03 0.00 -1.39 0.00 0.00 29.97 28.63 3gxk h ARG 72 CO -0.02 0.94 -1.34 0.93 2.80 0.00 0.00 179.97 183.28 3gxk h GLU 73 N 0.59 0.60 0.00 0.20 4.39 -0.86 -3.40 114.58 116.10 3gxk h GLU 73 Ca 0.09 -0.88 0.00 0.00 0.34 0.00 0.00 59.36 58.91 3gxk h GLU 73 Cb 0.69 0.31 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 3gxk h GLU 73 CO 0.05 1.41 0.00 -1.13 -1.16 0.00 0.00 179.01 178.18 3gxk n SER 74 N -3.76 0.30 -2.77 1.42 3.41 -0.74 -4.92 113.62 106.56 3gxk n SER 74 Ca -0.15 -0.96 -0.17 0.00 -0.26 0.00 0.00 58.87 57.33 3gxk n SER 74 Cb 1.04 0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 65.00 3gxk n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gxk n ARG 75 N -0.01 -2.83 -3.45 4.33 5.12 -0.58 -1.50 116.66 117.75 3gxk n ARG 75 Ca 0.00 0.60 -0.20 0.00 -1.93 0.00 0.00 57.85 56.32 3gxk n ARG 75 Cb 0.16 -5.26 0.08 0.00 -1.16 0.00 0.00 32.46 26.28 3gxk n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gxk n ALA 76 N -2.73 -1.47 0.00 7.54 0.00 -0.94 -4.17 120.51 118.73 3gxk n ALA 76 Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3gxk n ALA 76 Cb 0.59 -4.07 0.00 0.00 0.00 0.00 0.00 19.45 15.97 3gxk n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxk n GLY 77 N -1.61 3.05 2.47 0.00 0.00 -0.85 -4.73 105.19 103.51 3gxk n GLY 77 Ca -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3gxk n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gxk n ASN 78 N 0.00 0.00 -1.54 1.61 4.13 -0.56 -5.06 115.26 113.84 3gxk n ASN 78 Ca 0.00 -0.63 0.08 0.00 1.68 0.00 0.00 54.58 55.71 3gxk n ASN 78 Cb 0.00 0.00 0.35 0.00 -1.54 0.00 0.00 39.78 38.59 3gxk n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gxk n TYR 92 N 2.09 1.66 0.08 3.10 -0.00 -1.26 -4.84 117.16 117.99 3gxk n TYR 92 Ca 0.00 -0.76 0.02 0.00 -0.00 0.00 0.00 57.90 57.16 3gxk n TYR 92 Cb 0.00 -0.42 -0.03 0.00 -0.00 0.00 0.00 39.34 38.88 3gxk n TYR 92 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.86 175.95 3gxk h ASN 93 N 3.31 0.00 -3.76 9.48 -0.26 -2.01 -3.48 115.58 118.86 3gxk h ASN 93 Ca 0.00 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.25 3gxk h ASN 93 Cb 1.76 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 39.00 3gxk h ASN 93 CO 0.38 0.48 0.37 -0.83 -1.06 0.00 0.00 177.43 176.77 3gxk s GLY 94 N -4.63 3.11 -0.10 2.83 0.00 -1.26 -1.19 107.32 106.09 3gxk s GLY 94 Ca -0.00 0.66 0.02 0.00 0.00 0.00 0.00 44.72 45.40 3gxk s GLY 94 CO 0.79 1.23 -0.16 -0.12 0.00 0.00 0.00 173.10 174.84 3gxk s PHE 95 N -1.17 1.96 0.00 1.90 5.36 0.10 -4.86 117.98 121.26 3gxk s PHE 95 Ca 0.41 -0.86 0.00 0.00 -0.96 0.00 0.00 56.93 55.52 3gxk s PHE 95 Cb -0.27 -1.40 0.00 0.00 -0.34 0.00 0.00 43.02 41.02 3gxk s PHE 95 CO 0.33 -0.42 0.00 0.41 -1.46 0.00 0.00 175.22 174.08 3gxk n GLY 96 N 3.99 -2.47 0.40 13.12 0.00 -1.26 -1.33 105.19 117.64 3gxk n GLY 96 Ca -0.20 -1.72 0.19 0.00 0.00 0.00 0.00 46.02 44.30 3gxk n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gxk h LEU 97 N 0.00 0.23 -2.00 0.99 3.38 -1.61 -1.90 115.31 114.41 3gxk h LEU 97 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gxk h LEU 97 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gxk h LEU 97 CO 0.00 0.11 0.00 0.23 0.09 0.00 0.00 178.44 178.87 3gxk n MET 98 N -4.43 1.46 -3.48 1.13 2.81 -1.26 -3.79 117.12 109.55 3gxk n MET 98 Ca 0.15 -1.51 -0.23 0.00 -1.81 0.00 0.00 57.70 54.30 3gxk n MET 98 Cb 0.65 -1.23 0.06 0.00 -0.71 0.00 0.00 33.22 31.99 3gxk n MET 98 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3gxk n GLN 99 N 0.58 -2.15 -1.91 0.03 1.13 -0.72 -4.94 117.38 109.41 3gxk n GLN 99 Ca 0.08 0.67 -0.41 0.00 -1.94 0.00 0.00 57.00 55.40 3gxk n GLN 99 Cb 0.34 -5.03 -0.02 0.00 0.11 0.00 0.00 30.24 25.64 3gxk n GLN 99 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gxk s VAL 100 N -3.45 2.39 -0.52 5.09 1.01 -0.44 -4.36 120.40 120.12 3gxk s VAL 100 Ca 0.41 0.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 3gxk s VAL 100 Cb -0.10 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.10 3gxk s VAL 100 CO 0.80 0.06 1.07 -0.62 0.00 0.00 0.00 175.10 176.40 3gxk s ASP 101 N 0.36 6.49 0.00 3.32 -1.08 -1.26 0.00 116.67 124.49 3gxk s ASP 101 Ca 0.60 0.11 0.17 0.00 -0.52 0.00 0.00 52.55 52.92 3gxk s ASP 101 Cb -0.44 -2.51 0.85 0.00 -1.46 0.00 0.00 42.92 39.36 3gxk s ASP 101 CO 0.47 -1.27 1.53 2.29 0.52 0.00 0.00 175.17 178.70 3gxk n LYS 102 N 7.81 0.19 0.19 4.34 2.85 -0.33 -1.67 118.16 131.54 3gxk n LYS 102 Ca 0.08 0.14 0.03 0.00 -1.05 0.00 0.00 58.31 57.51 3gxk n LYS 102 Cb 0.49 -1.50 0.39 0.00 -0.65 0.00 0.00 35.03 33.76 3gxk n LYS 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gxk h ARG 103 N 0.00 0.00 -0.00 -1.58 3.08 -1.91 -3.36 114.38 110.61 3gxk h ARG 103 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gxk h ARG 103 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3gxk h ARG 103 CO 0.00 0.33 -0.04 0.66 -1.07 0.00 0.00 179.97 179.85 3gxk n TYR 104 N -4.14 0.00 -3.90 3.04 4.01 -0.67 -5.02 117.16 110.47 3gxk n TYR 104 Ca -0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 3gxk n TYR 104 Cb 0.37 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.30 3gxk n TYR 104 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3gxk s HIS 105 N -1.03 0.10 -0.53 -0.72 3.76 -0.96 -5.09 115.29 110.82 3gxk s HIS 105 Ca 0.00 -0.22 -0.20 0.00 -0.15 0.00 0.00 55.06 54.49 3gxk s HIS 105 Cb 0.01 -0.09 0.06 0.00 1.11 0.00 0.00 32.58 33.67 3gxk s HIS 105 CO 0.03 -0.24 0.68 -1.21 -0.85 0.00 0.00 174.74 173.16 3gxk s GLU 106 N -1.28 3.13 0.23 1.40 2.02 -1.26 -4.29 118.70 118.65 3gxk s GLU 106 Ca -0.14 -0.89 -0.32 0.00 0.02 0.00 0.00 54.97 53.64 3gxk s GLU 106 Cb -0.08 -4.12 -0.13 0.00 0.10 0.00 0.00 34.13 29.90 3gxk s GLU 106 CO 0.01 -1.32 1.50 -2.30 0.02 0.00 0.00 175.26 173.17 3gxk n PRO 107 N 6.37 2.23 -4.95 0.39 -0.02 -1.26 -5.00 135.00 132.76 3gxk n PRO 107 Ca -0.06 0.80 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 3gxk n PRO 107 Cb 0.45 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.27 3gxk n PRO 107 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gxk s ARG 108 N -0.02 3.05 0.00 -0.52 0.52 -1.26 -5.08 118.95 115.64 3gxk s ARG 108 Ca 0.70 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 3gxk s ARG 108 Cb -0.62 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.39 3gxk s ARG 108 CO 0.46 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.49 3gxk n GLY 109 N 3.23 0.89 3.77 -3.53 0.00 -1.26 -3.46 105.19 104.83 3gxk n GLY 109 Ca -0.18 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 3gxk n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxk s ALA 110 N -1.71 2.38 0.54 4.61 0.00 -1.26 -4.89 121.76 121.43 3gxk s ALA 110 Ca 0.00 0.36 0.25 0.00 0.00 0.00 0.00 51.96 52.57 3gxk s ALA 110 Cb 0.00 -3.28 1.40 0.00 0.00 0.00 0.00 23.12 21.24 3gxk s ALA 110 CO 0.00 -1.51 2.01 0.11 0.00 0.00 0.00 175.76 176.37 3gxk h TRP 111 N -0.61 0.00 -0.37 0.00 5.08 -1.98 -2.00 115.95 116.08 3gxk h TRP 111 Ca -0.45 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.26 3gxk h TRP 111 Cb 1.23 0.00 -0.20 0.00 -3.00 0.00 0.00 29.16 27.19 3gxk h TRP 111 CO 0.57 0.00 -0.58 0.27 -1.28 0.00 0.00 178.44 177.42 3gxk n ASN 112 N -4.33 3.28 -4.93 0.11 6.94 -1.26 -1.39 115.26 113.67 3gxk n ASN 112 Ca 0.08 -3.83 -0.25 0.00 -0.02 0.00 0.00 54.58 50.56 3gxk n ASN 112 Cb 0.54 -0.47 -0.02 0.00 -2.36 0.00 0.00 39.78 37.48 3gxk n ASN 112 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3gxk s SER 113 N -3.31 6.33 0.26 0.53 1.04 -0.75 -4.99 113.70 112.80 3gxk s SER 113 Ca 0.45 0.50 -0.01 0.00 0.48 0.00 0.00 55.95 57.36 3gxk s SER 113 Cb 0.39 -2.05 0.50 0.00 0.10 0.00 0.00 66.02 64.96 3gxk s SER 113 CO -0.02 -0.26 1.78 -0.08 0.98 0.00 0.00 173.24 175.64 3gxk h GLU 114 N 1.00 0.69 -0.90 4.02 4.81 -1.94 -2.32 114.58 119.94 3gxk h GLU 114 Ca -0.49 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3gxk h GLU 114 Cb 1.21 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 3gxk h GLU 114 CO 0.63 0.46 0.59 0.93 -0.73 0.00 0.00 179.01 180.88 3gxk h GLU 115 N 0.71 1.18 -0.11 1.92 3.07 -1.91 0.60 114.58 120.05 3gxk h GLU 115 Ca 0.45 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 59.20 3gxk h GLU 115 Cb 0.56 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 3gxk h GLU 115 CO -0.32 0.79 -0.05 1.25 -1.40 0.00 0.00 179.01 179.28 3gxk h HIS 116 N 1.22 0.26 -0.94 4.33 -0.00 -1.49 -2.41 115.15 116.11 3gxk h HIS 116 Ca 0.33 -0.07 0.05 0.00 -0.00 0.00 0.00 60.37 60.68 3gxk h HIS 116 Cb -0.13 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.16 3gxk h HIS 116 CO 0.00 0.58 0.62 0.82 -0.00 0.00 0.00 177.93 179.95 3gxk h ILE 117 N -0.13 1.13 0.46 6.26 2.04 -0.95 -1.39 117.51 124.94 3gxk h ILE 117 Ca 0.02 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3gxk h ILE 117 Cb 0.51 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3gxk h ILE 117 CO 0.02 0.21 -0.23 -0.78 0.00 0.00 0.00 178.15 177.37 3gxk h ASP 118 N 1.15 -0.55 -0.66 1.72 1.82 -0.91 -0.98 116.42 118.02 3gxk h ASP 118 Ca 0.38 0.02 0.06 0.00 -0.39 0.00 0.00 57.03 57.10 3gxk h ASP 118 Cb 0.07 0.14 -0.05 0.00 0.68 0.00 0.00 39.33 40.17 3gxk h ASP 118 CO -0.13 -0.39 0.37 -0.61 -1.61 0.00 0.00 179.24 176.87 3gxk h GLN 119 N -0.63 0.66 -0.63 0.28 4.15 -1.22 -1.63 115.11 116.08 3gxk h GLN 119 Ca -0.06 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 3gxk h GLN 119 Cb 0.49 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 3gxk h GLN 119 CO 0.10 0.43 0.18 0.00 -1.93 0.00 0.00 178.83 177.62 3gxk h ALA 120 N 1.34 0.83 -0.18 3.38 0.00 -1.13 -2.00 119.26 121.50 3gxk h ALA 120 Ca 0.30 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3gxk h ALA 120 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3gxk h ALA 120 CO -0.18 0.52 -0.33 1.15 0.00 0.00 0.00 179.25 180.41 3gxk h THR 121 N 0.92 1.28 -0.12 0.00 2.02 -0.98 -0.83 112.91 115.20 3gxk h THR 121 Ca 0.20 -1.37 -0.14 0.00 0.77 0.00 0.00 66.41 65.87 3gxk h THR 121 Cb 0.32 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3gxk h THR 121 CO -0.00 0.42 -0.53 1.23 0.37 0.00 0.00 175.52 177.01 3gxk h GLY 122 N 1.09 0.37 0.92 2.16 0.00 -0.97 -0.79 103.07 105.84 3gxk h GLY 122 Ca 0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 3gxk h GLY 122 CO 0.06 0.38 -0.07 -2.22 0.00 0.00 0.00 176.54 174.68 3gxk h ILE 123 N 0.26 1.28 -0.42 2.60 2.04 -0.97 -0.86 117.51 121.45 3gxk h ILE 123 Ca 0.01 -1.12 0.09 0.00 1.00 0.00 0.00 64.86 64.83 3gxk h ILE 123 Cb 1.02 1.33 -0.09 0.00 -0.74 0.00 0.00 36.82 38.35 3gxk h ILE 123 CO 0.09 0.36 -0.19 0.25 0.00 0.00 0.00 178.15 178.66 3gxk h LEU 124 N 0.41 -0.66 -0.71 1.44 5.85 -0.80 -1.91 115.31 118.94 3gxk h LEU 124 Ca 0.08 0.16 0.10 0.00 0.84 0.00 0.00 57.88 59.06 3gxk h LEU 124 Cb 0.57 0.36 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 3gxk h LEU 124 CO 0.03 -0.23 0.34 0.58 -0.34 0.00 0.00 178.44 178.82 3gxk h VAL 125 N -0.11 0.82 -0.76 1.05 2.07 -0.89 -0.37 116.25 118.06 3gxk h VAL 125 Ca 0.20 -0.19 0.15 0.00 0.82 0.00 0.00 66.70 67.68 3gxk h VAL 125 Cb 0.43 0.20 -0.10 0.00 -1.52 0.00 0.00 31.29 30.29 3gxk h VAL 125 CO -0.49 0.10 0.27 0.78 0.02 0.00 0.00 177.57 178.25 3gxk h ASN 126 N 0.57 0.20 0.47 0.57 4.21 -0.51 -1.71 115.58 119.37 3gxk h ASN 126 Ca 0.36 0.12 -0.14 0.00 1.21 0.00 0.00 56.30 57.85 3gxk h ASN 126 Cb 0.40 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 3gxk h ASN 126 CO -0.29 0.05 -0.60 -0.26 -1.29 0.00 0.00 177.43 175.04 3gxk h PHE 127 N 0.38 0.17 -0.95 1.19 0.04 -0.44 -1.66 116.94 115.67 3gxk h PHE 127 Ca 0.43 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 61.13 3gxk h PHE 127 Cb 0.69 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.77 3gxk h PHE 127 CO -0.19 0.70 0.58 0.82 -0.60 0.00 0.00 178.31 179.62 3gxk h ILE 128 N 0.10 1.26 -0.36 -0.55 2.04 -0.56 -1.75 117.51 117.69 3gxk h ILE 128 Ca -0.01 -0.55 -0.15 0.00 1.00 0.00 0.00 64.86 65.15 3gxk h ILE 128 Cb 1.08 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3gxk h ILE 128 CO 0.09 0.27 -0.35 1.56 0.00 0.00 0.00 178.15 179.72 3gxk h GLN 129 N 1.31 0.88 -0.03 2.37 4.20 -0.97 -1.57 115.11 121.29 3gxk h GLN 129 Ca 0.34 -0.46 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3gxk h GLN 129 Cb -0.07 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 3gxk h GLN 129 CO -0.07 1.11 0.01 -0.07 -0.67 0.00 0.00 178.83 179.14 3gxk h LEU 130 N 0.68 0.05 -0.77 1.46 3.38 -1.18 -2.66 115.31 116.27 3gxk h LEU 130 Ca 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3gxk h LEU 130 Cb 0.94 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 3gxk h LEU 130 CO 0.09 0.19 0.34 0.40 0.09 0.00 0.00 178.44 179.55 3gxk h ILE 131 N -0.10 1.25 -0.80 1.22 1.08 -1.30 -1.05 117.51 117.81 3gxk h ILE 131 Ca 0.01 -0.74 0.07 0.00 -0.39 0.00 0.00 64.86 63.81 3gxk h ILE 131 Cb 0.16 0.31 -0.05 0.00 -3.07 0.00 0.00 36.82 34.17 3gxk h ILE 131 CO -0.00 0.31 0.52 1.56 -0.69 0.00 0.00 178.15 179.85 3gxk h GLN 132 N 1.09 0.82 0.00 2.37 4.20 -1.21 0.12 115.11 122.50 3gxk h GLN 132 Ca 0.26 -0.05 -0.24 0.00 0.06 0.00 0.00 58.65 58.68 3gxk h GLN 132 Cb 0.16 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.77 3gxk h GLN 132 CO -0.03 0.54 -0.99 0.87 -0.67 0.00 0.00 178.83 178.55 3gxk h LYS 133 N 0.85 0.53 -0.09 1.46 1.79 -1.21 -3.13 116.57 116.76 3gxk h LYS 133 Ca 0.35 -0.58 -0.18 0.00 -2.18 0.00 0.00 60.65 58.06 3gxk h LYS 133 Cb 0.27 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3gxk h LYS 133 CO -0.12 1.20 -0.71 -0.22 -1.08 0.00 0.00 179.45 178.52 3gxk h LYS 134 N 0.30 0.45 -2.17 3.15 3.64 -0.68 -3.37 116.57 117.87 3gxk h LYS 134 Ca -0.10 -0.35 -0.59 0.00 -1.27 0.00 0.00 60.65 58.34 3gxk h LYS 134 Cb 1.64 0.07 -0.41 0.00 -0.41 0.00 0.00 32.23 33.11 3gxk h LYS 134 CO 0.18 0.98 -0.70 1.19 -2.27 0.00 0.00 179.45 178.84 3gxk n PHE 135 N -3.86 3.01 0.36 1.91 3.72 0.36 -4.94 117.46 118.02 3gxk n PHE 135 Ca -0.04 -4.03 0.14 0.00 -0.05 0.00 0.00 57.45 53.46 3gxk n PHE 135 Cb 0.70 -0.51 0.55 0.00 -0.94 0.00 0.00 39.48 39.28 3gxk n PHE 135 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gxk h PRO 136 N 3.88 0.00 0.00 -1.08 0.13 -1.72 -2.23 132.00 130.98 3gxk h PRO 136 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gxk h PRO 136 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3gxk h PRO 136 CO 0.77 0.00 -0.28 -1.13 -0.23 0.00 0.00 178.00 177.12 3gxk n SER 137 N -2.49 0.57 -4.80 1.44 3.41 -1.26 -4.91 113.62 105.59 3gxk n SER 137 Ca 0.02 0.28 -0.33 0.00 -0.26 0.00 0.00 58.87 58.57 3gxk n SER 137 Cb 0.25 -0.26 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3gxk n SER 137 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3gxk s TRP 138 N -3.09 2.93 0.94 7.33 0.52 -0.84 -5.05 118.94 121.68 3gxk s TRP 138 Ca 0.10 1.54 -0.11 0.00 0.02 0.00 0.00 56.10 57.64 3gxk s TRP 138 Cb 0.15 -3.07 0.15 0.00 -1.15 0.00 0.00 33.47 29.55 3gxk s TRP 138 CO 0.64 -1.11 1.09 -1.54 0.02 0.00 0.00 176.95 176.05 3gxk s SER 139 N -2.41 3.03 0.24 2.95 1.04 -1.26 -4.84 113.70 112.46 3gxk s SER 139 Ca 0.66 1.62 -0.07 0.00 0.48 0.00 0.00 55.95 58.64 3gxk s SER 139 Cb -0.17 -2.27 0.25 0.00 0.10 0.00 0.00 66.02 63.92 3gxk s SER 139 CO 0.31 -2.94 1.91 0.74 0.98 0.00 0.00 173.24 174.24 3gxk h THR 140 N -1.75 1.23 -0.56 2.02 2.02 -1.96 -0.88 112.91 113.02 3gxk h THR 140 Ca -0.50 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 3gxk h THR 140 Cb 1.29 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3gxk h THR 140 CO 0.52 0.23 0.11 -0.33 0.37 0.00 0.00 175.52 176.42 3gxk h GLU 141 N 1.26 0.92 -0.68 6.66 3.07 -1.92 -1.57 114.58 122.33 3gxk h GLU 141 Ca 0.35 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 3gxk h GLU 141 Cb -0.12 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.65 3gxk h GLU 141 CO -0.08 0.87 0.18 1.96 -1.40 0.00 0.00 179.01 180.54 3gxk h GLN 142 N 0.82 1.06 -0.38 2.33 4.20 -1.81 -2.40 115.11 118.92 3gxk h GLN 142 Ca 0.17 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 3gxk h GLN 142 Cb 0.39 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3gxk h GLN 142 CO 0.01 0.93 -0.11 1.96 -0.67 0.00 0.00 178.83 180.95 3gxk h GLN 143 N 1.02 0.67 -0.36 1.46 4.20 -0.99 -1.34 115.11 119.77 3gxk h GLN 143 Ca 0.22 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3gxk h GLN 143 Cb 0.34 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3gxk h GLN 143 CO -0.00 0.77 0.04 1.25 -0.67 0.00 0.00 178.83 180.21 3gxk h LEU 144 N 0.61 0.59 -0.42 1.46 5.85 -0.92 -1.14 115.31 121.35 3gxk h LEU 144 Ca 0.11 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.59 3gxk h LEU 144 Cb 0.55 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3gxk h LEU 144 CO 0.03 0.72 0.19 0.50 -0.34 0.00 0.00 178.44 179.55 3gxk h LYS 145 N 0.44 0.37 -0.05 1.25 3.64 -1.24 -1.58 116.57 119.40 3gxk h LYS 145 Ca 0.11 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3gxk h LYS 145 Cb 0.40 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3gxk h LYS 145 CO 0.01 0.25 -0.15 0.78 -2.27 0.00 0.00 179.45 178.07 3gxk h GLY 146 N 0.39 0.08 1.24 5.01 0.00 -1.02 -1.78 103.07 106.99 3gxk h GLY 146 Ca 0.18 -0.04 -0.27 0.00 0.00 0.00 0.00 47.33 47.20 3gxk h GLY 146 CO -0.15 0.04 -1.05 0.00 0.00 0.00 0.00 176.54 175.39 3gxk h ALA 147 N 1.78 0.14 -0.59 3.60 0.00 -0.90 -0.96 119.26 122.34 3gxk h ALA 147 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3gxk h ALA 147 Cb 0.31 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3gxk h ALA 147 CO 0.02 0.70 0.37 0.82 0.00 0.00 0.00 179.25 181.16 3gxk h ILE 148 N 0.38 1.16 -0.55 0.00 2.04 -0.90 -0.27 117.51 119.37 3gxk h ILE 148 Ca -0.13 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3gxk h ILE 148 Cb 1.70 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3gxk h ILE 148 CO 0.20 0.16 0.32 0.00 0.00 0.00 0.00 178.15 178.83 3gxk h ALA 149 N 1.20 0.71 -0.21 1.87 0.00 -1.28 -2.56 119.26 119.00 3gxk h ALA 149 Ca 0.21 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3gxk h ALA 149 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gxk h ALA 149 CO -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 179.25 179.18 3gxk h ALA 150 N 1.26 1.54 -0.84 0.00 0.00 -0.60 -0.84 119.26 119.78 3gxk h ALA 150 Ca 0.23 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.12 3gxk h ALA 150 Cb 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3gxk h ALA 150 CO -0.12 0.33 0.55 -0.92 0.00 0.00 0.00 179.25 179.10 3gxk h TYR 151 N 0.30 0.63 0.00 0.00 3.20 -0.63 0.66 116.97 121.15 3gxk h TYR 151 Ca 0.07 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3gxk h TYR 151 Cb 0.28 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3gxk h TYR 151 CO 0.01 0.23 -0.29 -0.97 -1.64 0.00 0.00 178.16 175.49 3gxk h ASN 152 N 0.53 0.01 -0.00 -2.11 -1.24 -1.26 -3.43 115.58 108.08 3gxk h ASN 152 Ca 0.42 -0.89 0.00 0.00 0.71 0.00 0.00 56.30 56.54 3gxk h ASN 152 Cb 0.85 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.90 3gxk h ASN 152 CO -0.17 1.11 -0.10 1.07 -1.29 0.00 0.00 177.43 178.06 3gxk n THR 153 N -4.56 0.00 0.00 -3.57 5.66 -0.42 -4.97 114.28 106.42 3gxk n THR 153 Ca -0.15 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 3gxk n THR 153 Cb 0.53 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.35 3gxk n THR 153 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gxk n GLY 154 N 0.73 -1.43 0.20 1.09 0.00 0.23 -4.36 105.19 101.65 3gxk n GLY 154 Ca 0.01 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.64 3gxk n GLY 154 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gxk h ASP 155 N 0.00 0.00 -0.14 1.61 2.03 -1.93 -1.34 116.42 116.65 3gxk h ASP 155 Ca 0.00 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.34 3gxk h ASP 155 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3gxk h ASP 155 CO 0.00 0.29 0.10 1.23 -1.03 0.00 0.00 179.24 179.83 3gxk h GLY 156 N 0.87 0.02 -2.45 7.15 0.00 -1.96 -2.04 103.07 104.66 3gxk h GLY 156 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3gxk h GLY 156 CO 0.04 0.01 0.00 0.54 0.00 0.00 0.00 176.54 177.12 3gxk n ARG 157 N -4.50 2.62 -3.71 4.80 1.74 -0.51 -4.75 116.66 112.35 3gxk n ARG 157 Ca 0.00 -2.38 -0.38 0.00 -0.77 0.00 0.00 57.85 54.32 3gxk n ARG 157 Cb 0.21 -1.54 -0.12 0.00 -1.02 0.00 0.00 32.46 29.99 3gxk n ARG 157 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gxk s VAL 158 N -1.20 3.97 -0.03 1.55 1.01 -0.77 -4.57 120.40 120.35 3gxk s VAL 158 Ca 0.44 -1.11 0.10 0.00 0.00 0.00 0.00 61.98 61.41 3gxk s VAL 158 Cb 0.24 -3.26 -0.16 0.00 0.00 0.00 0.00 36.38 33.20 3gxk s VAL 158 CO 0.29 -0.22 0.19 -0.62 0.00 0.00 0.00 175.10 174.74 3gxk n GLU 159 N 4.85 0.74 -3.82 2.72 1.02 -1.26 -4.98 120.64 119.91 3gxk n GLU 159 Ca -0.12 -0.08 -0.07 0.00 -0.02 0.00 0.00 57.16 56.87 3gxk n GLU 159 Cb 0.45 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.59 3gxk n GLU 159 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gxk s SER 160 N -3.43 -0.28 -0.09 1.62 1.04 -1.26 -5.05 113.70 106.24 3gxk s SER 160 Ca -0.04 -0.55 -0.28 0.00 0.48 0.00 0.00 55.95 55.56 3gxk s SER 160 Cb 0.06 0.71 -0.24 0.00 0.10 0.00 0.00 66.02 66.65 3gxk s SER 160 CO 0.44 -1.30 0.95 0.22 0.98 0.00 0.00 173.24 174.52 3gxk h TYR 161 N 2.00 0.03 -0.64 5.02 3.20 -1.97 -2.51 116.97 122.10 3gxk h TYR 161 Ca -0.20 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 61.84 3gxk h TYR 161 Cb 1.25 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.50 3gxk h TYR 161 CO 0.41 0.83 0.48 0.93 -1.64 0.00 0.00 178.16 179.17 3gxk h GLU 162 N -0.79 0.00 -0.18 1.82 5.08 -2.03 -2.34 114.58 116.14 3gxk h GLU 162 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3gxk h GLU 162 Cb 0.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 3gxk h GLU 162 CO 0.01 0.00 -0.04 -1.13 -1.00 0.00 0.00 179.01 176.85 3gxk n SER 163 N -4.28 3.06 -0.33 1.42 3.41 -1.23 -4.85 113.62 110.82 3gxk n SER 163 Ca 0.12 -3.22 0.15 0.00 -0.26 0.00 0.00 58.87 55.66 3gxk n SER 163 Cb 0.73 -0.52 0.34 0.00 -0.26 0.00 0.00 64.21 64.49 3gxk n SER 163 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3gxk h VAL 164 N 1.07 0.58 -0.29 -3.33 3.04 -0.94 -0.23 116.25 116.15 3gxk h VAL 164 Ca 0.04 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 3gxk h VAL 164 Cb 1.32 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 3gxk h VAL 164 CO 0.17 0.11 0.00 0.47 -1.01 0.00 0.00 177.57 177.31 3gxk n ASP 165 N -4.89 2.54 0.30 3.17 8.00 -1.26 -4.65 116.55 119.75 3gxk n ASP 165 Ca 0.24 -1.87 0.18 0.00 0.71 0.00 0.00 54.79 54.05 3gxk n ASP 165 Cb 0.66 -0.19 0.90 0.00 -0.02 0.00 0.00 41.12 42.46 3gxk n ASP 165 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3gxk h SER 166 N 3.27 0.00 -0.07 -2.24 4.64 -1.30 -0.79 113.55 117.06 3gxk h SER 166 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3gxk h SER 166 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 3gxk h SER 166 CO 0.00 0.04 -0.12 0.54 -0.87 0.00 0.00 176.83 176.42 3gxk n ARG 167 N -3.28 1.65 -4.01 4.77 5.12 -1.26 -4.85 116.66 114.81 3gxk n ARG 167 Ca -0.02 -2.84 -0.22 0.00 -1.93 0.00 0.00 57.85 52.84 3gxk n ARG 167 Cb 0.20 -1.61 -0.03 0.00 -1.16 0.00 0.00 32.46 29.86 3gxk n ARG 167 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3gxk s THR 168 N -2.99 5.05 0.07 0.55 -4.23 -0.30 -4.83 115.64 108.96 3gxk s THR 168 Ca 0.36 -1.06 -0.36 0.00 -1.18 0.00 0.00 61.69 59.45 3gxk s THR 168 Cb 0.32 -3.72 -0.15 0.00 1.34 0.00 0.00 72.50 70.29 3gxk s THR 168 CO 0.01 -0.31 1.49 0.41 -0.54 0.00 0.00 174.62 175.69 3gxk n THR 169 N -1.24 0.06 -0.35 3.99 -1.04 -1.26 -0.18 114.28 114.27 3gxk n THR 169 Ca -0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3gxk n THR 169 Cb 0.57 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 3gxk n THR 169 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gxk n GLY 170 N 3.10 2.27 3.03 3.41 0.00 -1.26 -3.30 105.19 112.44 3gxk n GLY 170 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3gxk n GLY 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gxk n LYS 171 N -2.00 -3.62 -0.25 1.61 5.02 0.75 -4.68 118.16 115.00 3gxk n LYS 171 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3gxk n LYS 171 Cb 0.00 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 29.59 3gxk n LYS 171 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gxk n ASP 172 N -2.27 0.00 0.28 4.39 5.75 -1.21 -4.67 116.55 118.83 3gxk n ASP 172 Ca -0.09 -1.10 -0.17 0.00 -0.01 0.00 0.00 54.79 53.42 3gxk n ASP 172 Cb 0.59 -0.02 -0.09 0.00 -1.03 0.00 0.00 41.12 40.57 3gxk n ASP 172 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3gxk h TYR 173 N 0.00 -1.14 -0.05 2.11 3.20 -1.83 0.31 116.97 119.58 3gxk h TYR 173 Ca 0.00 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 3gxk h TYR 173 Cb 1.04 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 3gxk h TYR 173 CO -0.10 -0.59 -0.69 0.66 -1.64 0.00 0.00 178.16 175.80 3gxk h SER 174 N -0.90 0.25 -0.11 -2.11 4.64 -1.87 -1.38 113.55 112.08 3gxk h SER 174 Ca -0.05 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3gxk h SER 174 Cb 0.78 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3gxk h SER 174 CO -0.03 0.86 0.03 0.78 -0.87 0.00 0.00 176.83 177.60 3gxk h ASN 175 N 0.15 0.02 0.42 4.97 4.21 -1.78 -1.10 115.58 122.47 3gxk h ASN 175 Ca -0.02 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 3gxk h ASN 175 Cb 1.23 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 3gxk h ASN 175 CO 0.10 0.03 -0.20 -0.78 -1.29 0.00 0.00 177.43 175.29 3gxk h ASP 176 N 0.08 -0.48 -0.69 5.81 3.58 -0.86 -2.39 116.42 121.47 3gxk h ASP 176 Ca 0.05 -0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.58 3gxk h ASP 176 Cb 0.03 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.14 3gxk h ASP 176 CO -0.06 -0.31 0.33 0.58 -2.88 0.00 0.00 179.24 176.91 3gxk h VAL 177 N -0.60 0.85 -0.54 2.25 2.07 -1.22 0.25 116.25 119.30 3gxk h VAL 177 Ca -0.06 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3gxk h VAL 177 Cb 0.45 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3gxk h VAL 177 CO 0.09 0.10 0.17 0.58 0.02 0.00 0.00 177.57 178.54 3gxk h VAL 178 N 0.57 1.23 -0.47 2.57 2.07 -1.17 0.23 116.25 121.29 3gxk h VAL 178 Ca 0.34 -0.78 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 3gxk h VAL 178 Cb 0.35 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3gxk h VAL 178 CO -0.27 0.29 -0.20 0.00 0.02 0.00 0.00 177.57 177.42 3gxk h ALA 179 N 1.04 0.76 -0.78 1.67 0.00 -0.87 0.43 119.26 121.50 3gxk h ALA 179 Ca 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3gxk h ALA 179 Cb 0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3gxk h ALA 179 CO -0.01 0.66 0.36 0.00 0.00 0.00 0.00 179.25 180.27 3gxk h ARG 180 N 0.81 1.13 -0.50 0.00 3.08 -0.61 -1.89 114.38 116.41 3gxk h ARG 180 Ca 0.11 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3gxk h ARG 180 Cb 0.76 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3gxk h ARG 180 CO 0.06 0.88 -0.16 0.00 -1.07 0.00 0.00 179.97 179.68 3gxk h ALA 181 N 1.28 0.78 -0.29 0.04 0.00 0.21 -0.76 119.26 120.51 3gxk h ALA 181 Ca 0.27 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3gxk h ALA 181 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3gxk h ALA 181 CO -0.03 0.66 -0.04 1.96 0.00 0.00 0.00 179.25 181.81 3gxk h GLN 182 N 0.85 0.46 -0.31 0.00 4.20 -0.74 0.06 115.11 119.63 3gxk h GLN 182 Ca 0.12 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3gxk h GLN 182 Cb 0.71 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3gxk h GLN 182 CO 0.05 0.52 -0.01 2.35 -0.67 0.00 0.00 178.83 181.07 3gxk h TRP 183 N 0.44 0.60 -0.57 2.96 7.01 -0.67 -2.82 115.95 122.91 3gxk h TRP 183 Ca 0.09 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 3gxk h TRP 183 Cb 0.35 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 3gxk h TRP 183 CO 0.01 0.69 0.09 1.88 -2.79 0.00 0.00 178.44 178.32 3gxk h TYR 184 N 0.34 0.95 -0.98 2.65 0.99 -0.73 -2.27 116.97 117.93 3gxk h TYR 184 Ca 0.09 -0.11 0.09 0.00 2.00 0.00 0.00 58.73 60.80 3gxk h TYR 184 Cb 0.45 -0.27 -0.07 0.00 1.00 0.00 0.00 36.73 37.84 3gxk h TYR 184 CO 0.04 0.82 0.62 -0.22 -0.00 0.00 0.00 178.16 179.42 3gxk h LYS 185 N 0.86 1.01 -0.52 4.88 1.63 -0.94 0.06 116.57 123.54 3gxk h LYS 185 Ca 0.18 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 3gxk h LYS 185 Cb 0.38 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3gxk h LYS 185 CO 0.01 0.67 0.00 0.36 -3.45 0.00 0.00 179.45 177.03 3gxk n LYS 186 N -4.55 2.36 -2.66 1.90 2.85 -0.89 -4.39 118.16 112.79 3gxk n LYS 186 Ca 0.17 -1.70 -0.00 0.00 -1.05 0.00 0.00 58.31 55.72 3gxk n LYS 186 Cb 0.28 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.21 3gxk n LYS 186 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gxk n ASN 187 N 0.73 1.60 0.00 -5.58 3.02 -0.10 -4.98 115.26 109.95 3gxk n ASN 187 Ca 0.16 -2.07 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 3gxk n ASN 187 Cb 0.49 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3gxk n ASN 187 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gxk n GLY 188 N -0.48 0.72 0.24 7.41 0.00 -1.19 -4.97 105.19 106.92 3gxk n GLY 188 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 3gxk n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01