#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxk n GLY 6 N 0.00 2.76 3.64 2.72 0.00 -1.26 -4.59 105.19 108.46 3gxk n GLY 6 Ca 0.00 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 6.82 0.46 1.61 -1.08 -1.26 -4.94 116.67 118.28 3gxk s ASP 7 Ca 0.00 0.97 0.12 0.00 -0.52 0.00 0.00 52.55 53.11 3gxk s ASP 7 Cb 0.00 -2.45 1.06 0.00 -1.46 0.00 0.00 42.92 40.07 3gxk s ASP 7 CO 0.00 -0.60 2.09 -0.29 0.52 0.00 0.00 175.17 176.88 3gxk h ILE 8 N 5.52 1.03 0.00 4.11 6.09 -1.98 -1.46 117.51 130.82 3gxk h ILE 8 Ca -0.23 -0.10 -0.00 0.00 -1.37 0.00 0.00 64.86 63.16 3gxk h ILE 8 Cb 1.09 0.71 -0.00 0.00 0.47 0.00 0.00 36.82 39.09 3gxk h ILE 8 CO 0.91 0.05 -0.02 0.71 -3.07 0.00 0.00 178.15 176.73 3gxk h THR 9 N 0.30 0.07 -0.01 2.19 1.35 -1.96 -2.88 112.91 111.96 3gxk h THR 9 Ca 0.10 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3gxk h THR 9 Cb 0.05 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3gxk h THR 9 CO -0.02 0.02 -0.40 0.00 -0.25 0.00 0.00 175.52 174.87 3gxk n GLN 10 N -3.14 0.84 -2.36 4.72 1.13 -0.55 -4.92 117.38 113.10 3gxk n GLN 10 Ca 0.00 -0.59 -0.41 0.00 -1.94 0.00 0.00 57.00 54.05 3gxk n GLN 10 Cb 0.28 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.11 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 -2.57 3.63 0.28 5.09 1.01 -1.09 -4.97 120.40 121.78 3gxk s VAL 11 Ca 0.20 1.30 -0.28 0.00 0.00 0.00 0.00 61.98 63.20 3gxk s VAL 11 Cb 0.18 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 3gxk s VAL 11 CO 0.58 0.18 0.99 -0.70 0.00 0.00 0.00 175.10 176.14 3gxk s GLU 12 N 0.14 4.68 -0.17 2.72 2.12 -1.26 -5.02 118.70 121.90 3gxk s GLU 12 Ca 0.55 1.53 -0.16 0.00 0.36 0.00 0.00 54.97 57.25 3gxk s GLU 12 Cb -0.32 -3.07 0.05 0.00 0.26 0.00 0.00 34.13 31.04 3gxk s GLU 12 CO 0.35 0.33 0.46 -0.08 -0.54 0.00 0.00 175.26 175.77 3gxk s THR 13 N -1.32 -0.00 -2.19 -1.70 -1.32 -1.26 -4.95 115.64 102.89 3gxk s THR 13 Ca 0.46 0.01 0.23 0.00 -1.21 0.00 0.00 61.69 61.17 3gxk s THR 13 Cb -0.25 -0.64 0.55 0.00 -1.51 0.00 0.00 72.50 70.65 3gxk s THR 13 CO 0.32 0.00 1.48 -1.54 -2.21 0.00 0.00 174.62 172.67 3gxk n SER 14 N 2.93 3.68 0.00 8.08 3.41 -1.26 -4.90 113.62 125.57 3gxk n SER 14 Ca -0.14 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 3gxk n SER 14 Cb 0.57 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.59 0.13 3.81 5.00 0.00 -1.24 -3.63 105.19 110.86 3gxk n GLY 15 Ca 0.22 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.57 3.05 0.97 4.61 0.00 -0.86 -3.30 121.76 124.67 3gxk s ALA 16 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 3gxk s ALA 16 Cb 0.00 -3.17 0.17 0.00 0.00 0.00 0.00 23.12 20.12 3gxk s ALA 16 CO 0.00 0.08 1.14 -1.54 0.00 0.00 0.00 175.76 175.43 3gxk s SER 17 N -2.03 3.00 0.14 0.00 1.04 -1.26 -0.97 113.70 113.62 3gxk s SER 17 Ca 0.60 0.93 -0.16 0.00 0.48 0.00 0.00 55.95 57.81 3gxk s SER 17 Cb -0.12 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.54 3gxk s SER 17 CO 0.16 -2.86 1.72 0.28 0.98 0.00 0.00 173.24 173.52 3gxk h SER 18 N -1.71 0.54 -0.21 7.02 0.02 -1.94 -1.12 113.55 116.14 3gxk h SER 18 Ca -0.51 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.37 3gxk h SER 18 Cb 1.32 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.65 3gxk h SER 18 CO 0.57 0.51 -0.44 0.50 -1.14 0.00 0.00 176.83 176.84 3gxk h LYS 19 N 0.52 -0.44 -0.56 3.45 3.64 -1.93 0.35 116.57 121.60 3gxk h LYS 19 Ca 0.14 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3gxk h LYS 19 Cb 0.12 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3gxk h LYS 19 CO -0.02 -0.29 0.35 1.15 -2.27 0.00 0.00 179.45 178.37 3gxk h THR 20 N -0.46 1.10 -0.39 1.00 2.02 -1.86 -2.29 112.91 112.03 3gxk h THR 20 Ca 0.09 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 3gxk h THR 20 Cb 0.62 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3gxk h THR 20 CO -0.45 0.13 0.12 0.28 0.37 0.00 0.00 175.52 175.97 3gxk h SER 21 N 0.71 0.57 -0.38 4.18 0.02 -0.84 -3.11 113.55 114.71 3gxk h SER 21 Ca 0.22 -0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 3gxk h SER 21 Cb -0.03 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.30 3gxk h SER 21 CO -0.07 0.63 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.12 3gxk h ARG 22 N 0.49 0.07 -0.91 3.45 2.43 -0.20 -1.81 114.38 117.90 3gxk h ARG 22 Ca 0.13 -0.00 0.26 0.00 -0.81 0.00 0.00 59.98 59.56 3gxk h ARG 22 Cb 0.26 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3gxk h ARG 22 CO -0.00 0.05 0.68 1.96 -1.51 0.00 0.00 179.97 181.14 3gxk h GLN 23 N 0.07 0.00 -0.46 0.20 4.20 -1.35 1.47 115.11 119.24 3gxk h GLN 23 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3gxk h GLN 23 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3gxk h GLN 23 CO -0.33 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 174.36 3gxk n ASP 24 N -4.17 2.27 -2.90 1.46 2.03 -0.74 -4.91 116.55 109.59 3gxk n ASP 24 Ca 0.19 -2.10 -0.22 0.00 0.52 0.00 0.00 54.79 53.18 3gxk n ASP 24 Cb 1.00 -0.32 0.02 0.00 -0.72 0.00 0.00 41.12 41.10 3gxk n ASP 24 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3gxk n LYS 25 N 0.52 -4.10 -3.56 -0.67 5.02 0.50 -5.00 118.16 110.88 3gxk n LYS 25 Ca 0.13 0.90 -0.38 0.00 -2.02 0.00 0.00 58.31 56.94 3gxk n LYS 25 Cb 0.40 -5.72 -0.06 0.00 -0.02 0.00 0.00 35.03 29.63 3gxk n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxk s LEU 26 N -6.52 4.43 0.00 -0.35 1.43 -0.86 -4.99 118.68 111.81 3gxk s LEU 26 Ca 0.24 0.83 0.30 0.00 -1.03 0.00 0.00 54.13 54.46 3gxk s LEU 26 Cb -0.11 -2.48 1.41 0.00 0.03 0.00 0.00 46.19 45.04 3gxk s LEU 26 CO 0.30 0.30 1.99 -1.84 0.23 0.00 0.00 176.35 177.33 3gxk n GLU 27 N 2.12 0.38 -4.43 1.70 0.28 -1.26 -4.28 120.64 115.16 3gxk n GLU 27 Ca -0.14 -0.03 -0.21 0.00 -0.16 0.00 0.00 57.16 56.62 3gxk n GLU 27 Cb 0.53 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.79 3gxk n GLU 27 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 3gxk s TYR 28 N -2.64 1.90 0.00 -1.84 -0.85 -1.26 -5.12 117.35 107.54 3gxk s TYR 28 Ca 0.26 -0.89 0.00 0.00 -0.52 0.00 0.00 57.07 55.92 3gxk s TYR 28 Cb 0.20 -1.19 0.00 0.00 0.38 0.00 0.00 41.96 41.35 3gxk s TYR 28 CO 0.48 0.06 0.00 -0.40 -1.52 0.00 0.00 175.55 174.18 3gxk n ASP 29 N -0.62 1.08 0.00 -0.18 5.68 -1.26 -4.73 116.55 116.52 3gxk n ASP 29 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 3gxk n ASP 29 Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 3gxk n ASP 29 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gxk n GLY 30 N 2.96 -0.08 0.23 6.12 0.00 -0.14 -3.17 105.19 111.12 3gxk n GLY 30 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 45.00 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 1.27 -0.78 1.61 2.07 -1.85 -2.12 116.25 116.45 3gxk h VAL 31 Ca 0.00 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.21 3gxk h VAL 31 Cb 0.00 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3gxk h VAL 31 CO 0.00 0.42 0.50 -0.09 0.02 0.00 0.00 177.57 178.42 3gxk h ARG 32 N 0.41 0.95 -0.58 1.57 2.43 -1.94 0.65 114.38 117.88 3gxk h ARG 32 Ca 0.05 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3gxk h ARG 32 Cb 0.72 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3gxk h ARG 32 CO 0.06 0.63 0.03 0.00 -1.51 0.00 0.00 179.97 179.18 3gxk h ALA 33 N 1.32 0.77 -0.38 2.80 0.00 -1.40 -0.98 119.26 121.39 3gxk h ALA 33 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gxk h ALA 33 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3gxk h ALA 33 CO -0.10 0.58 0.24 0.77 0.00 0.00 0.00 179.25 180.74 3gxk h SER 34 N 0.89 0.45 -0.38 0.00 0.02 -0.99 -0.39 113.55 113.15 3gxk h SER 34 Ca 0.17 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 3gxk h SER 34 Cb 0.50 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 3gxk h SER 34 CO 0.02 0.35 -0.01 0.45 -1.14 0.00 0.00 176.83 176.50 3gxk h HIS 35 N 0.51 -0.04 -0.37 3.45 -0.00 -0.64 -0.89 115.15 117.17 3gxk h HIS 35 Ca 0.14 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.55 3gxk h HIS 35 Cb -0.03 0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 3gxk h HIS 35 CO -0.04 -0.08 0.22 1.15 -0.00 0.00 0.00 177.93 179.18 3gxk h THR 36 N 0.09 1.05 -0.64 2.45 2.02 -0.76 -0.28 112.91 116.84 3gxk h THR 36 Ca 0.18 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 3gxk h THR 36 Cb 0.26 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3gxk h THR 36 CO -0.32 0.08 0.15 0.24 0.37 0.00 0.00 175.52 176.04 3gxk h MET 37 N 0.45 1.02 -0.30 6.66 2.86 -0.77 -0.05 114.93 124.79 3gxk h MET 37 Ca 0.14 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3gxk h MET 37 Cb -0.01 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 3gxk h MET 37 CO -0.06 0.91 0.12 0.00 1.06 0.00 0.00 176.91 178.94 3gxk h ALA 38 N 1.19 0.39 -0.39 6.32 0.00 -1.01 -2.56 119.26 123.20 3gxk h ALA 38 Ca 0.20 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gxk h ALA 38 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3gxk h ALA 38 CO 0.00 -0.01 0.22 0.37 0.00 0.00 0.00 179.25 179.83 3gxk h GLN 39 N 0.34 0.43 -0.89 0.00 4.15 -0.74 -1.98 115.11 116.42 3gxk h GLN 39 Ca 0.10 -0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.66 3gxk h GLN 39 Cb 0.18 -0.10 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 3gxk h GLN 39 CO -0.01 0.29 0.58 1.15 -1.93 0.00 0.00 178.83 178.91 3gxk h THR 40 N 0.44 0.79 -0.01 2.39 2.02 -0.87 -2.17 112.91 115.50 3gxk h THR 40 Ca 0.16 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3gxk h THR 40 Cb 0.02 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 3gxk h THR 40 CO -0.08 0.11 -0.24 0.47 0.37 0.00 0.00 175.52 176.14 3gxk n ASP 41 N -4.56 1.13 0.12 4.18 8.00 -0.86 -4.38 116.55 120.18 3gxk n ASP 41 Ca 0.18 -0.98 0.01 0.00 0.71 0.00 0.00 54.79 54.71 3gxk n ASP 41 Cb 0.53 0.14 0.32 0.00 -0.02 0.00 0.00 41.12 42.09 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 3.75 1.34 -0.04 2.24 0.00 -0.69 -1.74 119.26 124.12 3gxk h ALA 42 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3gxk h ALA 42 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gxk h ALA 42 CO 0.00 0.46 -0.07 0.78 0.00 0.00 0.00 179.25 180.42 3gxk h GLY 43 N 0.98 0.13 0.77 0.00 0.00 -1.77 -2.86 103.07 100.32 3gxk h GLY 43 Ca 0.03 -0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.31 3gxk h GLY 43 CO 0.04 0.14 0.55 3.21 0.00 0.00 0.00 176.54 180.47 3gxk h ARG 44 N -0.40 0.77 -0.19 4.80 3.08 -1.83 -2.50 114.38 118.11 3gxk h ARG 44 Ca 0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3gxk h ARG 44 Cb 0.65 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3gxk h ARG 44 CO 0.02 0.51 0.13 1.98 -1.07 0.00 0.00 179.97 181.53 3gxk h MET 45 N 0.79 0.17 -0.98 0.04 4.05 -1.10 -2.56 114.93 115.34 3gxk h MET 45 Ca 0.39 -0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.92 3gxk h MET 45 Cb 0.45 -0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.13 3gxk h MET 45 CO -0.16 0.12 0.62 1.49 0.23 0.00 0.00 176.91 179.21 3gxk h GLU 46 N 0.18 0.93 -1.01 0.39 4.81 -1.26 -1.48 114.58 117.13 3gxk h GLU 46 Ca 0.08 -0.06 0.27 0.00 -0.13 0.00 0.00 59.36 59.52 3gxk h GLU 46 Cb 0.08 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 3gxk h GLU 46 CO -0.01 0.62 0.70 -0.22 -0.73 0.00 0.00 179.01 179.36 3gxk h LYS 47 N 0.96 0.18 -0.60 1.92 3.64 -1.62 -2.52 116.57 118.53 3gxk h LYS 47 Ca 0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 3gxk h LYS 47 Cb 0.50 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3gxk h LYS 47 CO -0.25 0.12 0.00 0.66 -2.27 0.00 0.00 179.45 177.71 3gxk n TYR 48 N -4.39 0.80 -0.18 1.91 4.01 -0.56 -4.65 117.16 114.09 3gxk n TYR 48 Ca 0.22 -0.49 -0.02 0.00 -0.16 0.00 0.00 57.90 57.46 3gxk n TYR 48 Cb 0.97 -0.01 0.06 0.00 -0.31 0.00 0.00 39.34 40.05 3gxk n TYR 48 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3gxk h LYS 49 N 3.60 0.02 -0.32 -0.72 1.57 -1.43 0.62 116.57 119.91 3gxk h LYS 49 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3gxk h LYS 49 Cb 0.91 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3gxk h LYS 49 CO 0.00 0.01 0.17 0.66 -0.57 0.00 0.00 179.45 179.72 3gxk h SER 50 N 0.02 0.41 0.28 0.86 4.64 -1.84 -0.69 113.55 117.22 3gxk h SER 50 Ca 0.28 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 3gxk h SER 50 Cb 0.43 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3gxk h SER 50 CO -0.56 0.40 -0.16 -0.26 -0.87 0.00 0.00 176.83 175.37 3gxk h PHE 51 N 0.39 -0.43 -0.60 4.77 0.04 -1.79 -0.26 116.94 119.07 3gxk h PHE 51 Ca 0.11 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.95 3gxk h PHE 51 Cb 0.09 0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.33 3gxk h PHE 51 CO -0.02 -0.26 0.26 0.82 -0.60 0.00 0.00 178.31 178.51 3gxk h ILE 52 N -0.42 0.85 -0.18 -0.55 2.04 -0.84 0.36 117.51 118.77 3gxk h ILE 52 Ca -0.03 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 3gxk h ILE 52 Cb 0.35 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3gxk h ILE 52 CO 0.03 0.09 -0.02 0.78 0.00 0.00 0.00 178.15 179.03 3gxk h ASN 53 N 0.48 0.34 -0.06 1.72 -0.26 -0.91 -0.34 115.58 116.55 3gxk h ASN 53 Ca 0.29 -0.34 0.04 0.00 -0.56 0.00 0.00 56.30 55.73 3gxk h ASN 53 Cb 0.29 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 37.40 3gxk h ASN 53 CO -0.25 0.60 -0.29 0.78 -1.06 0.00 0.00 177.43 177.21 3gxk h ASN 54 N 0.07 -0.87 -0.66 5.81 -0.26 -0.73 -0.81 115.58 118.13 3gxk h ASN 54 Ca 0.05 0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 3gxk h ASN 54 Cb 0.44 0.36 -0.03 0.00 -1.06 0.00 0.00 38.32 38.03 3gxk h ASN 54 CO 0.01 -0.34 0.39 0.58 -1.06 0.00 0.00 177.43 177.01 3gxk h VAL 55 N -0.40 1.20 -0.82 2.81 2.07 -0.88 -1.38 116.25 118.84 3gxk h VAL 55 Ca 0.08 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3gxk h VAL 55 Cb 0.52 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3gxk h VAL 55 CO -0.29 0.21 0.52 0.00 0.02 0.00 0.00 177.57 178.03 3gxk h ALA 56 N 1.20 1.07 0.33 1.67 0.00 -0.79 -1.36 119.26 121.38 3gxk h ALA 56 Ca 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gxk h ALA 56 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3gxk h ALA 56 CO -0.04 0.35 -0.33 0.87 0.00 0.00 0.00 179.25 180.10 3gxk h LYS 57 N 1.02 -0.66 -0.40 0.00 1.57 -0.56 0.13 116.57 117.67 3gxk h LYS 57 Ca 0.33 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.20 3gxk h LYS 57 Cb 0.01 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 3gxk h LYS 57 CO -0.11 -0.44 0.13 -0.22 -0.57 0.00 0.00 179.45 178.23 3gxk h LYS 58 N -0.68 0.27 -0.00 3.15 3.64 -1.06 -3.06 116.57 118.82 3gxk h LYS 58 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3gxk h LYS 58 Cb 0.62 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3gxk h LYS 58 CO -0.06 0.18 -0.42 0.72 -2.27 0.00 0.00 179.45 177.60 3gxk n HIS 59 N -5.03 0.00 -3.46 1.91 8.25 -0.53 -4.96 115.22 111.40 3gxk n HIS 59 Ca 0.02 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.30 3gxk n HIS 59 Cb 0.16 -0.20 0.09 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.19 -5.53 -5.01 1.59 0.31 0.37 -5.02 118.33 103.84 3gxk n VAL 60 Ca 0.08 -0.42 -0.28 0.00 -0.01 0.00 0.00 64.34 63.70 3gxk n VAL 60 Cb 0.34 -4.84 -0.16 0.00 -0.91 0.00 0.00 33.84 28.26 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 -3.35 1.69 0.09 2.52 1.01 -0.70 -4.41 120.40 117.23 3gxk s VAL 61 Ca 0.09 -0.86 -0.34 0.00 0.00 0.00 0.00 61.98 60.87 3gxk s VAL 61 Cb -0.04 -1.44 -0.13 0.00 0.00 0.00 0.00 36.38 34.76 3gxk s VAL 61 CO 0.73 0.48 1.65 -0.67 0.00 0.00 0.00 175.10 177.29 3gxk n ASP 62 N 3.10 3.11 0.15 3.32 -0.08 -1.26 -4.47 116.55 120.42 3gxk n ASP 62 Ca -0.18 1.06 0.16 0.00 -1.51 0.00 0.00 54.79 54.32 3gxk n ASP 62 Cb 0.53 -1.40 0.74 0.00 2.34 0.00 0.00 41.12 43.33 3gxk n ASP 62 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3gxk h PRO 63 N 6.74 0.00 -0.29 -0.67 0.13 -1.91 -1.25 132.00 134.74 3gxk h PRO 63 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 3gxk h PRO 63 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3gxk h PRO 63 CO 0.90 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.69 3gxk h ALA 64 N 1.81 1.49 -0.28 -0.56 0.00 -1.89 0.35 119.26 120.19 3gxk h ALA 64 Ca 0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3gxk h ALA 64 Cb 0.56 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gxk h ALA 64 CO -0.00 0.37 -0.29 0.28 0.00 0.00 0.00 179.25 179.61 3gxk h VAL 65 N 0.43 1.30 -0.10 0.00 2.07 -1.53 -0.46 116.25 117.96 3gxk h VAL 65 Ca 0.10 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.17 3gxk h VAL 65 Cb 0.25 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3gxk h VAL 65 CO 0.00 0.46 0.04 0.40 0.02 0.00 0.00 177.57 178.50 3gxk h ILE 66 N 0.42 0.99 -0.76 4.57 2.04 -1.34 -2.17 117.51 121.25 3gxk h ILE 66 Ca 0.04 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3gxk h ILE 66 Cb 0.86 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3gxk h ILE 66 CO 0.07 0.02 0.50 0.00 0.00 0.00 0.00 178.15 178.74 3gxk h ALA 67 N 1.06 1.44 -0.71 1.87 0.00 -0.89 -1.23 119.26 120.80 3gxk h ALA 67 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3gxk h ALA 67 Cb 0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3gxk h ALA 67 CO -0.04 0.51 0.22 0.00 0.00 0.00 0.00 179.25 179.94 3gxk h ALA 68 N 1.51 0.92 -0.49 0.00 0.00 -0.79 -0.00 119.26 120.41 3gxk h ALA 68 Ca 0.28 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3gxk h ALA 68 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3gxk h ALA 68 CO -0.06 0.61 0.07 0.82 0.00 0.00 0.00 179.25 180.69 3gxk h ILE 69 N 1.04 1.25 -0.75 0.00 2.04 -0.94 -0.36 117.51 119.79 3gxk h ILE 69 Ca 0.23 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.17 3gxk h ILE 69 Cb 0.31 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3gxk h ILE 69 CO -0.01 0.33 0.49 0.40 0.00 0.00 0.00 178.15 179.36 3gxk h ILE 70 N 0.69 1.15 0.12 -0.67 2.04 -0.84 0.23 117.51 120.24 3gxk h ILE 70 Ca 0.15 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3gxk h ILE 70 Cb 0.40 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3gxk h ILE 70 CO 0.01 0.18 -0.06 -1.28 0.00 0.00 0.00 178.15 177.00 3gxk h SER 71 N 0.97 -0.14 0.04 1.72 0.87 -0.87 -2.29 113.55 113.86 3gxk h SER 71 Ca 0.29 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3gxk h SER 71 Cb -0.06 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3gxk h SER 71 CO -0.08 0.14 -0.13 -0.09 -0.53 0.00 0.00 176.83 176.14 3gxk h ARG 72 N -0.43 -0.23 -0.32 2.24 9.65 -0.85 -0.47 114.38 123.97 3gxk h ARG 72 Ca -0.02 0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 3gxk h ARG 72 Cb 0.35 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 3gxk h ARG 72 CO 0.03 -0.15 -0.18 0.93 2.80 0.00 0.00 179.97 183.40 3gxk h GLU 73 N -0.24 0.69 0.00 0.20 4.39 -0.60 -3.39 114.58 115.63 3gxk h GLU 73 Ca 0.03 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3gxk h GLU 73 Cb 0.27 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3gxk h GLU 73 CO -0.10 0.91 0.00 -1.13 -1.16 0.00 0.00 179.01 177.54 3gxk n SER 74 N -4.34 0.25 -3.73 1.42 3.41 -0.91 -4.90 113.62 104.82 3gxk n SER 74 Ca -0.03 -1.12 -0.22 0.00 -0.26 0.00 0.00 58.87 57.24 3gxk n SER 74 Cb 0.40 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.06 -4.94 -4.05 4.33 5.12 -0.19 -1.80 116.66 115.08 3gxk n ARG 75 Ca 0.00 0.61 -0.29 0.00 -1.93 0.00 0.00 57.85 56.24 3gxk n ARG 75 Cb 0.45 -5.19 -0.02 0.00 -1.16 0.00 0.00 32.46 26.53 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 -4.33 -1.77 -0.03 7.54 0.00 -0.91 -2.23 120.51 118.78 3gxk n ALA 76 Ca -0.26 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3gxk n ALA 76 Cb 0.66 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.84 1.80 0.25 0.00 0.00 -0.74 -4.81 105.19 99.85 3gxk n GLY 77 Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 3gxk n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gxk h ASN 78 N 0.00 0.31 -0.26 1.61 -1.24 -0.90 -1.66 115.58 113.44 3gxk h ASN 78 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.95 3gxk h ASN 78 Cb 0.00 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 38.97 3gxk h ASN 78 CO 0.00 0.43 0.00 1.33 -1.29 0.00 0.00 177.43 177.90 3gxk n VAL 79 N -4.29 0.33 0.00 2.57 0.24 -1.06 -4.46 118.33 111.66 3gxk n VAL 79 Ca 0.00 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 3gxk n VAL 79 Cb 0.25 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 3gxk n VAL 79 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3gxk n ILE 80 N 1.04 0.00 0.27 1.34 -5.35 -0.90 -4.83 119.36 110.93 3gxk n ILE 80 Ca 0.18 -0.28 0.13 0.00 -0.27 0.00 0.00 62.75 62.51 3gxk n ILE 80 Cb 0.50 0.96 0.76 0.00 -1.74 0.00 0.00 39.64 40.13 3gxk n ILE 80 CO 0.00 0.00 0.00 2.19 -1.76 0.00 0.00 176.55 176.98 3gxk h PHE 81 N 0.00 0.00 -0.28 4.28 -5.15 -1.54 -0.44 116.94 113.81 3gxk h PHE 81 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3gxk h PHE 81 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3gxk h PHE 81 CO 0.00 0.10 0.00 0.27 -2.00 0.00 0.00 178.31 176.68 3gxk n ASN 82 N -3.62 3.47 -4.87 -0.68 6.94 -1.26 -4.55 115.26 110.69 3gxk n ASN 82 Ca -0.02 -2.63 -0.30 0.00 -0.02 0.00 0.00 54.58 51.62 3gxk n ASN 82 Cb 0.22 -0.42 0.07 0.00 -2.36 0.00 0.00 39.78 37.29 3gxk n ASN 82 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3gxk s THR 83 N -2.12 2.95 -0.21 5.53 -4.23 -1.17 -4.97 115.64 111.42 3gxk s THR 83 Ca 0.34 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 3gxk s THR 83 Cb 0.25 -3.26 0.05 0.00 1.34 0.00 0.00 72.50 70.88 3gxk s THR 83 CO 0.11 -0.40 -0.07 0.42 -0.54 0.00 0.00 174.62 174.14 3gxk s THR 84 N -3.39 1.47 0.97 3.99 -4.23 -1.26 -1.38 115.64 111.82 3gxk s THR 84 Ca 0.60 -1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 59.96 3gxk s THR 84 Cb -0.12 -1.66 0.17 0.00 1.34 0.00 0.00 72.50 72.24 3gxk s THR 84 CO 0.51 0.03 1.10 -2.16 -0.54 0.00 0.00 174.62 173.57 3gxk s PRO 85 N 1.45 0.62 0.56 3.99 0.04 -1.26 -5.08 135.00 135.32 3gxk s PRO 85 Ca -0.03 0.49 -0.18 0.00 0.04 0.00 0.00 61.00 61.32 3gxk s PRO 85 Cb -0.17 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3gxk s PRO 85 CO -0.07 -2.59 1.07 -2.14 0.04 0.00 0.00 177.00 173.30 3gxk s PRO 86 N -5.02 3.43 0.00 0.56 0.02 -0.48 -4.32 135.00 129.20 3gxk s PRO 86 Ca 0.65 1.33 0.00 0.00 0.02 0.00 0.00 61.00 63.00 3gxk s PRO 86 Cb -0.18 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.30 3gxk s PRO 86 CO 0.57 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 3gxk n GLY 87 N -0.53 1.22 3.75 0.52 0.00 -0.18 -4.74 105.19 105.23 3gxk n GLY 87 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3gxk n GLY 87 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gxk s TRP 88 N -2.00 3.16 0.28 1.61 0.52 -1.24 0.08 118.94 121.35 3gxk s TRP 88 Ca 0.00 0.08 0.04 0.00 0.02 0.00 0.00 56.10 56.24 3gxk s TRP 88 Cb 0.00 -1.63 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 3gxk s TRP 88 CO 0.00 0.51 0.24 0.20 0.02 0.00 0.00 176.95 177.92 3gxk s GLY 89 N -2.17 1.94 -0.89 0.98 0.00 0.11 -4.71 107.32 102.58 3gxk s GLY 89 Ca 0.27 -1.90 -0.04 0.00 0.00 0.00 0.00 44.72 43.05 3gxk s GLY 89 CO 0.19 -1.41 0.77 1.34 0.00 0.00 0.00 173.10 173.99 3gxk n ASP 90 N -1.07 -3.99 -4.72 1.64 2.03 -1.26 -1.30 116.55 107.88 3gxk n ASP 90 Ca 0.05 -0.39 -0.40 0.00 0.52 0.00 0.00 54.79 54.58 3gxk n ASP 90 Cb 0.64 -3.62 -0.05 0.00 -0.72 0.00 0.00 41.12 37.37 3gxk n ASP 90 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3gxk s ASN 91 N -3.46 6.98 -1.82 1.67 2.20 -1.26 -3.36 114.94 115.88 3gxk s ASN 91 Ca 0.26 1.18 0.00 0.00 -0.94 0.00 0.00 52.86 53.36 3gxk s ASN 91 Cb -0.12 -2.41 0.00 0.00 -2.00 0.00 0.00 41.25 36.73 3gxk s ASN 91 CO 0.50 -0.10 0.00 -1.22 -2.94 0.00 0.00 177.10 173.34 3gxk n TYR 92 N 3.72 -0.69 -0.08 1.54 4.02 -0.46 -4.89 117.16 120.31 3gxk n TYR 92 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.76 3gxk n TYR 92 Cb 0.51 -3.61 -0.07 0.00 -0.02 0.00 0.00 39.34 36.15 3gxk n TYR 92 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3gxk n ASN 93 N -1.70 2.75 -4.77 7.72 5.03 -0.42 -4.95 115.26 118.92 3gxk n ASN 93 Ca -0.22 -0.08 -0.38 0.00 0.87 0.00 0.00 54.58 54.77 3gxk n ASN 93 Cb 0.66 -0.25 -0.06 0.00 -1.02 0.00 0.00 39.78 39.11 3gxk n ASN 93 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3gxk s GLY 94 N -5.55 2.48 -0.00 7.41 0.00 -0.52 -0.79 107.32 110.35 3gxk s GLY 94 Ca -0.22 -0.14 0.08 0.00 0.00 0.00 0.00 44.72 44.45 3gxk s GLY 94 CO 0.37 0.58 -0.25 -0.12 0.00 0.00 0.00 173.10 173.67 3gxk s PHE 95 N -0.13 2.27 0.00 1.90 5.36 0.68 -0.71 117.98 127.36 3gxk s PHE 95 Ca 0.27 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 3gxk s PHE 95 Cb -0.16 -1.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 3gxk s PHE 95 CO 0.13 0.01 0.00 0.41 -1.46 0.00 0.00 175.22 174.31 3gxk n GLY 96 N 2.27 -0.98 0.32 13.12 0.00 0.11 -0.59 105.19 119.44 3gxk n GLY 96 Ca -0.16 -1.65 0.18 0.00 0.00 0.00 0.00 46.02 44.39 3gxk n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gxk n LEU 97 N -1.64 0.00 -1.05 0.99 4.77 -0.62 -1.29 117.00 118.16 3gxk n LEU 97 Ca 0.00 1.57 0.11 0.00 -0.03 0.00 0.00 56.01 57.65 3gxk n LEU 97 Cb 0.00 -0.62 0.20 0.00 -2.33 0.00 0.00 43.42 40.67 3gxk n LEU 97 CO 0.00 -1.63 0.68 0.23 -1.33 0.00 0.00 177.39 175.33 3gxk n MET 98 N -5.30 2.41 -3.52 3.23 2.81 -1.26 -3.62 117.12 111.86 3gxk n MET 98 Ca 0.25 -2.21 -0.24 0.00 -1.81 0.00 0.00 57.70 53.70 3gxk n MET 98 Cb 0.84 -1.46 0.05 0.00 -0.71 0.00 0.00 33.22 31.94 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 1.32 -2.19 -1.69 0.03 1.13 -0.41 -4.92 117.38 110.65 3gxk n GLN 99 Ca 0.18 0.64 -0.44 0.00 -1.94 0.00 0.00 57.00 55.43 3gxk n GLN 99 Cb 0.56 -4.92 -0.04 0.00 0.11 0.00 0.00 30.24 25.95 3gxk n GLN 99 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gxk n VAL 100 N -3.85 0.20 -2.75 5.09 0.31 0.24 -4.39 118.33 113.19 3gxk n VAL 100 Ca -0.12 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.75 3gxk n VAL 100 Cb 0.61 -1.86 -0.03 0.00 -0.91 0.00 0.00 33.84 31.65 3gxk n VAL 100 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gxk s ASP 101 N 2.00 6.73 0.62 4.52 -1.08 -1.26 -0.23 116.67 127.98 3gxk s ASP 101 Ca 0.81 0.67 0.34 0.00 -0.52 0.00 0.00 52.55 53.86 3gxk s ASP 101 Cb -0.58 -2.49 1.96 0.00 -1.46 0.00 0.00 42.92 40.35 3gxk s ASP 101 CO 0.39 -0.90 2.22 0.07 0.52 0.00 0.00 175.17 177.46 3gxk h LYS 102 N 8.47 0.00 0.00 4.34 2.10 -1.11 -2.08 116.57 128.28 3gxk h LYS 102 Ca -0.23 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.37 3gxk h LYS 102 Cb 1.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 3gxk h LYS 102 CO 1.01 0.00 -0.24 0.00 -2.00 0.00 0.00 179.45 178.22 3gxk h ARG 103 N 0.00 0.00 0.00 0.07 3.08 -1.91 -3.29 114.38 112.33 3gxk h ARG 103 Ca 0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 3gxk h ARG 103 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3gxk h ARG 103 CO -0.00 0.24 -1.78 0.66 -1.07 0.00 0.00 179.97 178.02 3gxk n TYR 104 N -3.60 0.00 -3.93 3.04 4.01 -0.80 -5.01 117.16 110.87 3gxk n TYR 104 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3gxk n TYR 104 Cb 0.38 -0.49 -0.10 0.00 -0.31 0.00 0.00 39.34 38.82 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 -2.65 0.19 -0.17 -0.72 3.76 -1.11 -5.11 115.29 109.49 3gxk s HIS 105 Ca -0.06 -0.46 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 3gxk s HIS 105 Cb 0.06 -0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.59 3gxk s HIS 105 CO 0.57 -0.32 1.39 -2.00 -0.85 0.00 0.00 174.74 173.52 3gxk s GLU 106 N -2.23 4.12 -0.15 1.40 2.12 -1.26 -4.10 118.70 118.60 3gxk s GLU 106 Ca -0.08 1.70 -0.29 0.00 0.36 0.00 0.00 54.97 56.65 3gxk s GLU 106 Cb -0.04 -3.86 -0.02 0.00 0.26 0.00 0.00 34.13 30.47 3gxk s GLU 106 CO -0.03 -0.87 1.38 -1.25 -0.54 0.00 0.00 175.26 173.95 3gxk s PRO 107 N 3.85 4.18 0.14 4.30 0.04 -1.26 -5.00 135.00 141.25 3gxk s PRO 107 Ca 0.61 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3gxk s PRO 107 Cb -0.24 -3.84 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 3gxk s PRO 107 CO 0.20 -0.80 0.31 1.03 0.04 0.00 0.00 177.00 177.79 3gxk s ARG 108 N 3.73 3.48 0.00 4.56 0.52 -1.26 -5.02 118.95 124.96 3gxk s ARG 108 Ca 0.60 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 3gxk s ARG 108 Cb -0.24 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3gxk s ARG 108 CO 0.19 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.42 3gxk n GLY 109 N -0.35 -1.72 3.76 -3.53 0.00 -1.26 -3.71 105.19 98.39 3gxk n GLY 109 Ca -0.05 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.92 2.23 0.49 4.61 0.00 -1.26 -4.86 121.76 121.05 3gxk s ALA 110 Ca 0.00 0.34 0.21 0.00 0.00 0.00 0.00 51.96 52.51 3gxk s ALA 110 Cb 0.00 -3.29 1.35 0.00 0.00 0.00 0.00 23.12 21.18 3gxk s ALA 110 CO 0.00 -1.77 2.11 0.11 0.00 0.00 0.00 175.76 176.21 3gxk h TRP 111 N -1.00 0.00 -0.43 0.00 5.08 -1.90 -2.24 115.95 115.46 3gxk h TRP 111 Ca -0.44 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.29 3gxk h TRP 111 Cb 1.24 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.25 3gxk h TRP 111 CO 0.57 0.09 -0.09 0.27 -1.28 0.00 0.00 178.44 177.99 3gxk n ASN 112 N -4.11 2.92 -4.90 0.11 6.94 -1.26 -1.59 115.26 113.38 3gxk n ASN 112 Ca -0.03 -3.80 -0.21 0.00 -0.02 0.00 0.00 54.58 50.53 3gxk n ASN 112 Cb 0.17 -0.63 -0.03 0.00 -2.36 0.00 0.00 39.78 36.93 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 -2.59 5.87 0.21 0.53 1.04 -0.84 -5.02 113.70 112.89 3gxk s SER 113 Ca 0.46 -0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.66 3gxk s SER 113 Cb 0.41 -1.55 0.16 0.00 0.10 0.00 0.00 66.02 65.14 3gxk s SER 113 CO -0.00 -0.10 1.87 -0.08 0.98 0.00 0.00 173.24 175.91 3gxk h GLU 114 N 1.30 1.01 -0.67 4.02 4.81 -1.96 -1.86 114.58 121.24 3gxk h GLU 114 Ca -0.49 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 3gxk h GLU 114 Cb 1.24 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 3gxk h GLU 114 CO 0.60 0.68 0.36 1.49 -0.73 0.00 0.00 179.01 181.42 3gxk h GLU 115 N 1.04 0.92 -0.02 1.92 4.57 -1.91 0.24 114.58 121.33 3gxk h GLU 115 Ca 0.28 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3gxk h GLU 115 Cb -0.10 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.31 3gxk h GLU 115 CO -0.06 0.68 0.01 1.25 -1.18 0.00 0.00 179.01 179.71 3gxk h HIS 116 N 0.93 0.04 -0.60 0.92 2.76 -1.55 -1.57 115.15 116.08 3gxk h HIS 116 Ca 0.24 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3gxk h HIS 116 Cb 0.03 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 3gxk h HIS 116 CO 0.01 0.19 0.40 0.82 -1.30 0.00 0.00 177.93 178.04 3gxk h ILE 117 N -0.13 1.12 -0.52 6.26 2.04 -0.46 -1.70 117.51 124.13 3gxk h ILE 117 Ca 0.01 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3gxk h ILE 117 Cb 0.17 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3gxk h ILE 117 CO -0.00 0.14 -0.01 -0.78 0.00 0.00 0.00 178.15 177.50 3gxk h ASP 118 N 0.76 0.90 -0.00 1.72 3.58 -0.34 -0.59 116.42 122.45 3gxk h ASP 118 Ca 0.23 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 3gxk h ASP 118 Cb -0.01 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 3gxk h ASP 118 CO -0.06 0.99 -0.00 -0.61 -2.88 0.00 0.00 179.24 176.69 3gxk h GLN 119 N 0.78 0.00 -0.74 0.28 4.15 -0.67 -0.51 115.11 118.40 3gxk h GLN 119 Ca 0.15 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3gxk h GLN 119 Cb 0.53 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.19 3gxk h GLN 119 CO 0.03 0.32 0.48 0.00 -1.93 0.00 0.00 178.83 177.72 3gxk h ALA 120 N 0.68 0.94 -0.41 3.38 0.00 -1.29 0.10 119.26 122.67 3gxk h ALA 120 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3gxk h ALA 120 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gxk h ALA 120 CO 0.00 0.37 -0.00 1.15 0.00 0.00 0.00 179.25 180.77 3gxk h THR 121 N 1.01 1.26 -0.95 0.00 2.02 -1.10 -1.97 112.91 113.18 3gxk h THR 121 Ca 0.27 -1.02 0.12 0.00 0.77 0.00 0.00 66.41 66.55 3gxk h THR 121 Cb -0.10 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.35 3gxk h THR 121 CO -0.06 0.35 0.60 1.23 0.37 0.00 0.00 175.52 178.01 3gxk h GLY 122 N 0.56 1.44 0.98 2.16 0.00 -0.83 -0.69 103.07 106.68 3gxk h GLY 122 Ca 0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3gxk h GLY 122 CO 0.02 0.16 0.26 -2.22 0.00 0.00 0.00 176.54 174.76 3gxk h ILE 123 N 0.90 1.20 -0.36 2.60 2.04 -0.64 -0.75 117.51 122.49 3gxk h ILE 123 Ca 0.46 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3gxk h ILE 123 Cb 0.52 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3gxk h ILE 123 CO -0.23 0.22 0.23 0.25 0.00 0.00 0.00 178.15 178.63 3gxk h LEU 124 N 0.73 0.41 -0.92 1.44 5.85 -1.07 -1.82 115.31 119.93 3gxk h LEU 124 Ca 0.19 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3gxk h LEU 124 Cb 0.11 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3gxk h LEU 124 CO -0.02 0.30 0.58 0.58 -0.34 0.00 0.00 178.44 179.53 3gxk h VAL 125 N 0.48 1.06 -0.70 1.05 2.07 -0.80 0.86 116.25 120.27 3gxk h VAL 125 Ca 0.13 -0.36 0.14 0.00 0.82 0.00 0.00 66.70 67.43 3gxk h VAL 125 Cb -0.05 -0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 29.53 3gxk h VAL 125 CO -0.03 0.19 0.20 0.78 0.02 0.00 0.00 177.57 178.73 3gxk h ASN 126 N 1.05 0.09 0.44 0.57 2.35 -0.66 -1.23 115.58 118.19 3gxk h ASN 126 Ca 0.40 0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 56.14 3gxk h ASN 126 Cb 0.17 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3gxk h ASN 126 CO -0.17 0.02 -0.57 -0.26 -1.65 0.00 0.00 177.43 174.80 3gxk h PHE 127 N 0.32 0.17 -0.09 1.19 0.04 -0.05 -1.69 116.94 116.82 3gxk h PHE 127 Ca 0.38 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 61.09 3gxk h PHE 127 Cb 0.61 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 3gxk h PHE 127 CO -0.23 0.67 0.05 0.82 -0.60 0.00 0.00 178.31 179.02 3gxk h ILE 128 N 0.10 1.07 -0.54 -0.55 2.04 -0.42 0.13 117.51 119.34 3gxk h ILE 128 Ca -0.00 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.75 3gxk h ILE 128 Cb 1.04 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 3gxk h ILE 128 CO 0.08 0.06 0.19 1.56 0.00 0.00 0.00 178.15 180.04 3gxk h GLN 129 N 0.07 0.36 -0.32 2.37 4.20 -1.08 0.20 115.11 120.91 3gxk h GLN 129 Ca 0.03 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 3gxk h GLN 129 Cb 0.05 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3gxk h GLN 129 CO -0.01 0.24 -0.23 -0.07 -0.67 0.00 0.00 178.83 178.09 3gxk h LEU 130 N 0.37 0.76 -0.53 1.46 3.38 -0.93 -2.11 115.31 117.72 3gxk h LEU 130 Ca 0.26 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3gxk h LEU 130 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3gxk h LEU 130 CO -0.27 1.04 0.10 0.40 0.09 0.00 0.00 178.44 179.81 3gxk h ILE 131 N 0.49 1.25 -0.79 1.22 1.08 -0.55 -0.11 117.51 120.10 3gxk h ILE 131 Ca 0.06 -0.92 0.10 0.00 -0.39 0.00 0.00 64.86 63.72 3gxk h ILE 131 Cb 0.79 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 35.29 3gxk h ILE 131 CO 0.06 0.33 0.43 1.56 -0.69 0.00 0.00 178.15 179.85 3gxk h GLN 132 N 0.75 0.70 -0.52 2.37 4.20 -0.52 0.26 115.11 122.36 3gxk h GLN 132 Ca 0.16 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3gxk h GLN 132 Cb 0.38 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3gxk h GLN 132 CO 0.01 0.46 0.07 0.87 -0.67 0.00 0.00 178.83 179.57 3gxk h LYS 133 N 0.72 0.86 -0.09 1.46 1.79 -1.16 -2.72 116.57 117.42 3gxk h LYS 133 Ca 0.39 -0.24 -0.21 0.00 -2.18 0.00 0.00 60.65 58.40 3gxk h LYS 133 Cb 0.39 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3gxk h LYS 133 CO -0.26 0.86 -0.81 -0.22 -1.08 0.00 0.00 179.45 177.94 3gxk h LYS 134 N 0.74 0.59 -2.13 3.15 3.64 -0.50 -3.36 116.57 118.70 3gxk h LYS 134 Ca 0.15 -0.52 -0.56 0.00 -1.27 0.00 0.00 60.65 58.45 3gxk h LYS 134 Cb 0.42 0.12 -0.41 0.00 -0.41 0.00 0.00 32.23 31.95 3gxk h LYS 134 CO 0.01 1.14 -0.85 1.19 -2.27 0.00 0.00 179.45 178.67 3gxk n PHE 135 N -3.87 2.06 0.29 1.91 3.72 0.04 -4.97 117.46 116.65 3gxk n PHE 135 Ca -0.06 -3.90 0.17 0.00 -0.05 0.00 0.00 57.45 53.60 3gxk n PHE 135 Cb 0.76 -0.46 0.88 0.00 -0.94 0.00 0.00 39.48 39.72 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 3.62 0.00 0.00 -1.08 0.13 -1.65 -2.33 132.00 130.70 3gxk h PRO 136 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3gxk h PRO 136 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3gxk h PRO 136 CO 0.67 0.05 -0.87 0.43 -0.23 0.00 0.00 178.00 178.05 3gxk n SER 137 N -3.35 0.65 -4.50 1.44 7.64 -1.26 -4.87 113.62 109.37 3gxk n SER 137 Ca -0.02 -0.36 -0.36 0.00 1.01 0.00 0.00 58.87 59.14 3gxk n SER 137 Cb 0.19 0.67 0.07 0.00 -1.01 0.00 0.00 64.21 64.14 3gxk n SER 137 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3gxk n TRP 138 N -1.75 -0.45 -1.57 1.43 7.02 -0.88 -4.96 117.44 116.27 3gxk n TRP 138 Ca 0.03 0.37 -0.33 0.00 -1.02 0.00 0.00 57.50 56.55 3gxk n TRP 138 Cb 0.39 -1.96 0.07 0.00 -2.42 0.00 0.00 31.31 27.39 3gxk n TRP 138 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3gxk s SER 139 N -1.47 4.69 0.37 -0.99 1.04 -1.26 -4.81 113.70 111.28 3gxk s SER 139 Ca 0.68 2.10 0.11 0.00 0.48 0.00 0.00 55.95 59.31 3gxk s SER 139 Cb -0.36 -2.56 0.87 0.00 0.10 0.00 0.00 66.02 64.07 3gxk s SER 139 CO 0.56 -1.91 1.86 0.71 0.98 0.00 0.00 173.24 175.43 3gxk h THR 140 N -0.24 0.79 -0.05 2.02 1.35 -1.95 0.15 112.91 114.98 3gxk h THR 140 Ca -0.47 -0.22 -0.19 0.00 -0.55 0.00 0.00 66.41 64.99 3gxk h THR 140 Cb 1.26 0.11 0.01 0.00 -1.73 0.00 0.00 68.15 67.80 3gxk h THR 140 CO 0.52 0.12 -0.72 -0.33 -0.25 0.00 0.00 175.52 174.86 3gxk h GLU 141 N 0.63 0.57 -0.83 4.72 3.07 -1.90 -2.35 114.58 118.50 3gxk h GLU 141 Ca 0.46 -0.55 0.03 0.00 -0.50 0.00 0.00 59.36 58.80 3gxk h GLU 141 Cb 0.82 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 28.82 3gxk h GLU 141 CO -0.21 1.17 0.53 1.96 -1.40 0.00 0.00 179.01 181.06 3gxk h GLN 142 N 0.18 1.00 -0.89 2.33 4.20 -1.78 -2.01 115.11 118.13 3gxk h GLN 142 Ca -0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 3gxk h GLN 142 Cb 1.38 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 3gxk h GLN 142 CO 0.14 0.66 0.49 1.96 -0.67 0.00 0.00 178.83 181.41 3gxk h GLN 143 N 1.03 1.24 -0.57 1.46 4.20 -0.73 -1.26 115.11 120.48 3gxk h GLN 143 Ca 0.33 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3gxk h GLN 143 Cb 0.02 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3gxk h GLN 143 CO -0.12 0.91 0.19 1.25 -0.67 0.00 0.00 178.83 180.39 3gxk h LEU 144 N 1.25 0.83 -0.39 1.46 5.85 -1.08 -1.05 115.31 122.18 3gxk h LEU 144 Ca 0.31 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3gxk h LEU 144 Cb 0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3gxk h LEU 144 CO -0.05 0.81 0.01 0.50 -0.34 0.00 0.00 178.44 179.37 3gxk h LYS 145 N 0.80 0.68 -0.68 1.25 3.64 -1.20 -1.93 116.57 119.13 3gxk h LYS 145 Ca 0.19 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3gxk h LYS 145 Cb 0.27 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3gxk h LYS 145 CO -0.01 0.76 0.45 0.78 -2.27 0.00 0.00 179.45 179.17 3gxk h GLY 146 N 0.50 0.94 1.10 5.01 0.00 -1.07 -1.27 103.07 108.29 3gxk h GLY 146 Ca 0.11 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 3gxk h GLY 146 CO 0.02 0.31 0.05 0.00 0.00 0.00 0.00 176.54 176.92 3gxk h ALA 147 N 1.59 0.89 -0.33 3.60 0.00 -0.96 -1.13 119.26 122.92 3gxk h ALA 147 Ca 0.26 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3gxk h ALA 147 Cb -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gxk h ALA 147 CO -0.07 0.67 -0.19 0.82 0.00 0.00 0.00 179.25 180.48 3gxk h ILE 148 N 1.00 1.29 -0.57 0.00 2.04 -0.92 -0.96 117.51 119.40 3gxk h ILE 148 Ca 0.19 -1.32 0.04 0.00 1.00 0.00 0.00 64.86 64.77 3gxk h ILE 148 Cb 0.50 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3gxk h ILE 148 CO 0.02 0.43 0.31 0.00 0.00 0.00 0.00 178.15 178.91 3gxk h ALA 149 N 0.76 0.74 0.00 1.87 0.00 -1.05 -2.58 119.26 119.00 3gxk h ALA 149 Ca 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3gxk h ALA 149 Cb 0.74 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3gxk h ALA 149 CO 0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 179.25 179.05 3gxk h ALA 150 N 1.29 1.25 -0.98 0.00 0.00 -0.84 0.31 119.26 120.28 3gxk h ALA 150 Ca 0.25 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gxk h ALA 150 Cb 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3gxk h ALA 150 CO -0.15 0.30 0.65 -0.92 0.00 0.00 0.00 179.25 179.14 3gxk h TYR 151 N 0.00 1.23 0.08 0.00 3.20 -0.77 0.14 116.97 120.85 3gxk h TYR 151 Ca -0.00 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.70 3gxk h TYR 151 Cb 0.56 -0.41 0.02 0.00 1.54 0.00 0.00 36.73 38.44 3gxk h TYR 151 CO 0.00 0.75 -0.82 -0.97 -1.64 0.00 0.00 178.16 175.49 3gxk h ASN 152 N 1.31 0.58 -0.00 -2.11 -0.73 -1.13 -3.42 115.58 110.08 3gxk h ASN 152 Ca 0.37 -0.84 0.00 0.00 1.87 0.00 0.00 56.30 57.69 3gxk h ASN 152 Cb -0.11 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.29 3gxk h ASN 152 CO -0.09 1.37 -0.04 1.07 -0.37 0.00 0.00 177.43 179.36 3gxk n THR 153 N -4.09 0.00 0.00 -3.57 5.66 -0.03 -4.92 114.28 107.32 3gxk n THR 153 Ca -0.12 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 3gxk n THR 153 Cb 0.79 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.59 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 0.68 -0.33 0.28 1.09 0.00 0.49 -4.40 105.19 102.99 3gxk n GLY 154 Ca 0.01 -1.47 0.17 0.00 0.00 0.00 0.00 46.02 44.72 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 0.68 1.61 2.03 -1.94 -2.33 116.42 116.47 3gxk h ASP 155 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 3gxk h ASP 155 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3gxk h ASP 155 CO 0.00 0.05 -0.06 1.23 -1.03 0.00 0.00 179.24 179.44 3gxk h GLY 156 N 1.49 0.00 -1.10 7.15 0.00 -1.96 -2.73 103.07 105.92 3gxk h GLY 156 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3gxk h GLY 156 CO 0.01 0.00 -0.03 0.54 0.00 0.00 0.00 176.54 177.06 3gxk n ARG 157 N -3.24 2.18 -3.57 4.80 1.74 -0.88 -4.80 116.66 112.89 3gxk n ARG 157 Ca -0.01 -2.82 -0.41 0.00 -0.77 0.00 0.00 57.85 53.84 3gxk n ARG 157 Cb 0.26 -1.72 -0.10 0.00 -1.02 0.00 0.00 32.46 29.89 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 -2.92 4.45 -0.11 1.55 1.01 -1.03 -4.58 120.40 118.76 3gxk s VAL 158 Ca 0.39 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3gxk s VAL 158 Cb 0.33 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.95 3gxk s VAL 158 CO 0.05 -0.44 -0.03 -0.62 0.00 0.00 0.00 175.10 174.05 3gxk n GLU 159 N 4.98 1.42 -3.98 2.72 1.02 -1.26 -4.99 120.64 120.54 3gxk n GLU 159 Ca -0.11 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 56.98 3gxk n GLU 159 Cb 0.44 -1.26 -0.09 0.00 -0.02 0.00 0.00 31.44 30.51 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 -4.71 0.30 0.11 1.62 1.04 -1.26 -5.08 113.70 105.73 3gxk s SER 160 Ca -0.11 -0.78 -0.21 0.00 0.48 0.00 0.00 55.95 55.34 3gxk s SER 160 Cb 0.04 0.24 -0.08 0.00 0.10 0.00 0.00 66.02 66.32 3gxk s SER 160 CO 0.36 -0.61 1.75 0.22 0.98 0.00 0.00 173.24 175.94 3gxk h TYR 161 N 3.19 0.10 -0.38 5.02 3.20 -1.97 -2.20 116.97 123.93 3gxk h TYR 161 Ca -0.34 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.52 3gxk h TYR 161 Cb 1.17 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 3gxk h TYR 161 CO 0.51 0.06 0.16 0.93 -1.64 0.00 0.00 178.16 178.17 3gxk h GLU 162 N 0.13 0.53 -0.76 1.82 5.08 -2.03 -2.61 114.58 116.74 3gxk h GLU 162 Ca 0.06 -0.06 -0.36 0.00 -1.00 0.00 0.00 59.36 57.99 3gxk h GLU 162 Cb 0.02 -0.10 -0.22 0.00 0.50 0.00 0.00 28.75 28.95 3gxk h GLU 162 CO -0.05 0.44 0.38 -1.13 -1.00 0.00 0.00 179.01 177.65 3gxk n SER 163 N -4.39 3.57 -0.12 1.42 3.41 -1.21 -4.75 113.62 111.55 3gxk n SER 163 Ca 0.02 -3.58 0.18 0.00 -0.26 0.00 0.00 58.87 55.24 3gxk n SER 163 Cb 0.14 -0.76 0.58 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.28 0.75 -0.02 -3.33 3.04 -0.99 -1.69 116.25 115.29 3gxk h VAL 164 Ca 0.45 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 66.05 3gxk h VAL 164 Cb 2.42 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 32.18 3gxk h VAL 164 CO 0.83 0.05 0.00 0.47 -1.01 0.00 0.00 177.57 177.90 3gxk n ASP 165 N -4.43 2.49 0.12 3.17 8.00 -1.26 -4.56 116.55 120.08 3gxk n ASP 165 Ca 0.14 -1.74 0.05 0.00 0.71 0.00 0.00 54.79 53.94 3gxk n ASP 165 Cb 0.60 -0.00 0.48 0.00 -0.02 0.00 0.00 41.12 42.18 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 3.50 0.23 -0.49 -2.24 4.64 -1.55 -1.20 113.55 116.44 3gxk h SER 166 Ca 0.00 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 3gxk h SER 166 Cb 0.74 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.71 3gxk h SER 166 CO 0.00 0.24 0.09 0.54 -0.87 0.00 0.00 176.83 176.84 3gxk n ARG 167 N -4.43 3.26 -3.47 4.77 5.12 -1.26 -4.81 116.66 115.84 3gxk n ARG 167 Ca -0.00 -3.03 -0.22 0.00 -1.93 0.00 0.00 57.85 52.67 3gxk n ARG 167 Cb 0.14 -2.03 -0.01 0.00 -1.16 0.00 0.00 32.46 29.41 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 -2.96 4.74 0.13 0.55 -4.23 -0.45 -4.83 115.64 108.60 3gxk s THR 168 Ca 0.49 -0.70 -0.35 0.00 -1.18 0.00 0.00 61.69 59.95 3gxk s THR 168 Cb 0.40 -3.70 -0.15 0.00 1.34 0.00 0.00 72.50 70.38 3gxk s THR 168 CO 0.10 -0.38 1.44 0.41 -0.54 0.00 0.00 174.62 175.64 3gxk n THR 169 N -1.72 0.08 -0.53 3.99 -1.04 -1.26 -0.57 114.28 113.23 3gxk n THR 169 Ca -0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3gxk n THR 169 Cb 0.57 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 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 2.87 1.04 2.37 3.41 0.00 -1.26 -3.20 105.19 110.42 3gxk n GLY 170 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.79 -0.52 1.61 5.02 0.26 -4.66 118.16 116.07 3gxk n LYS 171 Ca 0.00 0.84 -0.00 0.00 -2.02 0.00 0.00 58.31 57.13 3gxk n LYS 171 Cb 0.00 -5.38 -0.00 0.00 -0.02 0.00 0.00 35.03 29.63 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 -1.60 -0.00 0.34 4.39 5.75 -1.20 -4.60 116.55 119.63 3gxk n ASP 172 Ca -0.19 -1.44 -0.17 0.00 -0.01 0.00 0.00 54.79 52.98 3gxk n ASP 172 Cb 0.61 -0.08 -0.09 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.01 -0.77 -0.40 2.11 3.20 -1.83 -0.01 116.97 119.29 3gxk h TYR 173 Ca -0.01 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3gxk h TYR 173 Cb 1.18 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.70 3gxk h TYR 173 CO -0.12 -0.48 -0.28 0.66 -1.64 0.00 0.00 178.16 176.30 3gxk h SER 174 N -0.82 0.88 -0.39 -2.11 4.64 -1.88 -1.10 113.55 112.76 3gxk h SER 174 Ca -0.08 -0.35 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 3gxk h SER 174 Cb 0.63 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3gxk h SER 174 CO 0.14 1.10 0.24 0.78 -0.87 0.00 0.00 176.83 178.22 3gxk h ASN 175 N 0.72 0.40 0.13 4.97 4.21 -1.79 0.15 115.58 124.37 3gxk h ASN 175 Ca 0.08 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 3gxk h ASN 175 Cb 0.83 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 3gxk h ASN 175 CO 0.07 0.29 -0.06 -0.78 -1.29 0.00 0.00 177.43 175.66 3gxk h ASP 176 N 0.49 -0.14 -0.60 5.81 3.58 -0.93 -2.30 116.42 122.33 3gxk h ASP 176 Ca 0.15 -0.28 0.05 0.00 0.42 0.00 0.00 57.03 57.38 3gxk h ASP 176 Cb -0.02 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 3gxk h ASP 176 CO -0.06 0.22 0.32 0.58 -2.88 0.00 0.00 179.24 177.42 3gxk h VAL 177 N -0.52 0.95 -0.17 2.25 2.07 -1.10 -0.91 116.25 118.81 3gxk h VAL 177 Ca -0.02 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3gxk h VAL 177 Cb 0.42 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3gxk h VAL 177 CO 0.03 0.11 -0.05 0.58 0.02 0.00 0.00 177.57 178.25 3gxk h VAL 178 N 0.59 0.80 -0.55 2.57 2.07 -0.66 0.52 116.25 121.60 3gxk h VAL 178 Ca 0.27 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.76 3gxk h VAL 178 Cb 0.17 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3gxk h VAL 178 CO -0.18 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.64 3gxk h ALA 179 N 1.15 0.71 -0.67 1.67 0.00 -1.15 0.37 119.26 121.34 3gxk h ALA 179 Ca 0.09 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3gxk h ALA 179 Cb 0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3gxk h ALA 179 CO -0.19 0.32 0.35 0.00 0.00 0.00 0.00 179.25 179.73 3gxk h ARG 180 N 0.75 0.60 -0.82 0.00 3.08 -0.95 -2.04 114.38 115.01 3gxk h ARG 180 Ca 0.18 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3gxk h ARG 180 Cb 0.19 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3gxk h ARG 180 CO -0.02 0.40 0.35 0.00 -1.07 0.00 0.00 179.97 179.63 3gxk h ALA 181 N 1.38 1.06 -0.35 0.04 0.00 0.00 -1.77 119.26 119.62 3gxk h ALA 181 Ca 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gxk h ALA 181 Cb 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3gxk h ALA 181 CO -0.23 0.66 0.04 1.96 0.00 0.00 0.00 179.25 181.68 3gxk h GLN 182 N 1.18 0.54 -0.36 0.00 4.20 -0.65 0.13 115.11 120.14 3gxk h GLN 182 Ca 0.28 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3gxk h GLN 182 Cb 0.18 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3gxk h GLN 182 CO -0.03 0.54 0.02 2.35 -0.67 0.00 0.00 178.83 181.04 3gxk h TRP 183 N 0.52 0.67 -0.07 2.96 7.01 -0.97 -2.35 115.95 123.73 3gxk h TRP 183 Ca 0.12 -0.11 -0.14 0.00 2.11 0.00 0.00 58.89 60.87 3gxk h TRP 183 Cb 0.28 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 3gxk h TRP 183 CO 0.01 0.71 -0.57 1.88 -2.79 0.00 0.00 178.44 177.68 3gxk h TYR 184 N 0.45 0.28 -0.36 2.65 0.05 -0.62 -0.91 116.97 118.51 3gxk h TYR 184 Ca 0.11 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 3gxk h TYR 184 Cb 0.42 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 3gxk h TYR 184 CO 0.03 0.74 0.03 -0.22 -1.05 0.00 0.00 178.16 177.70 3gxk h LYS 185 N 0.17 0.62 -0.15 4.88 1.63 -0.67 0.36 116.57 123.41 3gxk h LYS 185 Ca -0.00 -0.18 -0.16 0.00 -0.85 0.00 0.00 60.65 59.46 3gxk h LYS 185 Cb 1.05 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.62 3gxk h LYS 185 CO 0.09 0.70 -0.52 -0.22 -3.45 0.00 0.00 179.45 176.05 3gxk h LYS 186 N 0.45 0.61 0.00 1.90 1.63 -1.36 -3.36 116.57 116.44 3gxk h LYS 186 Ca 0.11 -0.46 -0.11 0.00 -0.85 0.00 0.00 60.65 59.33 3gxk h LYS 186 Cb 0.40 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 3gxk h LYS 186 CO 0.01 1.08 -1.80 0.09 -3.45 0.00 0.00 179.45 175.38 3gxk n ASN 187 N -4.18 0.32 -0.82 4.20 3.02 -0.35 -5.10 115.26 112.35 3gxk n ASN 187 Ca -0.07 0.13 0.10 0.00 -0.03 0.00 0.00 54.58 54.71 3gxk n ASN 187 Cb 0.61 1.15 -0.02 0.00 -0.61 0.00 0.00 39.78 40.90 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 1.38 -1.96 0.00 7.41 0.00 0.13 -5.05 105.19 107.10 3gxk n GLY 188 Ca -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3gxk n GLY 188 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29