#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxr n TYR 5 N 0.00 0.03 0.00 1.61 4.01 -1.26 -5.03 117.16 116.52 3gxr n TYR 5 Ca 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3gxr n TYR 5 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3gxr n TYR 5 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gxr n GLY 6 N 0.67 0.28 3.20 2.72 0.00 -1.21 -4.16 105.19 106.68 3gxr n GLY 6 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3gxr n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gxr s ASP 7 N -0.02 5.52 0.47 1.61 -1.08 -1.26 -4.92 116.67 116.99 3gxr s ASP 7 Ca 0.00 -1.82 0.21 0.00 -0.52 0.00 0.00 52.55 50.41 3gxr s ASP 7 Cb 0.00 -1.94 1.22 0.00 -1.46 0.00 0.00 42.92 40.74 3gxr s ASP 7 CO 0.00 -0.59 1.93 -0.29 0.52 0.00 0.00 175.17 176.74 3gxr h ILE 8 N 6.20 0.73 0.00 4.11 6.09 -1.97 0.32 117.51 132.99 3gxr h ILE 8 Ca -0.19 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3gxr h ILE 8 Cb 1.07 0.47 0.00 0.00 0.47 0.00 0.00 36.82 38.83 3gxr h ILE 8 CO 0.77 0.04 0.00 0.35 -3.07 0.00 0.00 178.15 176.25 3gxr n THR 9 N -4.42 0.84 -0.12 2.19 -2.24 -1.26 -2.31 114.28 106.96 3gxr n THR 9 Ca 0.14 0.20 0.07 0.00 -2.27 0.00 0.00 64.05 62.19 3gxr n THR 9 Cb 0.63 -0.97 0.18 0.00 -2.10 0.00 0.00 70.33 68.06 3gxr n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gxr n GLN 10 N -1.72 2.59 -3.17 -0.78 6.02 0.11 -4.98 117.38 115.46 3gxr n GLN 10 Ca 0.04 -2.08 -0.39 0.00 -0.01 0.00 0.00 57.00 54.55 3gxr n GLN 10 Cb 0.21 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 3gxr n GLN 10 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3gxr s VAL 11 N -1.02 4.68 0.17 5.09 1.01 -0.98 -4.93 120.40 124.43 3gxr s VAL 11 Ca 0.28 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.36 3gxr s VAL 11 Cb 0.15 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 3gxr s VAL 11 CO 0.20 0.51 0.80 -0.70 0.00 0.00 0.00 175.10 175.90 3gxr s GLU 12 N -0.88 4.60 -0.09 2.72 2.12 -1.26 -5.03 118.70 120.89 3gxr s GLU 12 Ca 0.32 1.20 -0.11 0.00 0.36 0.00 0.00 54.97 56.73 3gxr s GLU 12 Cb -0.20 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 30.95 3gxr s GLU 12 CO 0.21 0.56 0.29 -0.08 -0.54 0.00 0.00 175.26 175.70 3gxr s THR 13 N -1.15 0.02 -1.27 -1.70 -1.32 -1.26 -4.95 115.64 104.01 3gxr s THR 13 Ca 0.36 -0.13 0.18 0.00 -1.21 0.00 0.00 61.69 60.89 3gxr s THR 13 Cb -0.23 -0.46 0.59 0.00 -1.51 0.00 0.00 72.50 70.89 3gxr s THR 13 CO 0.27 -0.07 1.50 -1.54 -2.21 0.00 0.00 174.62 172.57 3gxr n SER 14 N 2.52 4.04 0.00 8.08 3.41 -1.26 -4.90 113.62 125.51 3gxr n SER 14 Ca -0.15 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 3gxr n SER 14 Cb 0.57 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3gxr n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gxr n GLY 15 N 1.03 0.99 3.75 5.00 0.00 -1.24 -3.53 105.19 111.18 3gxr n GLY 15 Ca 0.22 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3gxr n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxr s ALA 16 N -1.96 3.39 0.81 4.61 0.00 -0.78 -3.52 121.76 124.31 3gxr s ALA 16 Ca 0.00 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.68 3gxr s ALA 16 Cb 0.00 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.89 3gxr s ALA 16 CO 0.00 -0.11 1.12 -1.54 0.00 0.00 0.00 175.76 175.23 3gxr s SER 17 N -0.71 3.94 0.23 0.00 1.04 -1.26 -0.18 113.70 116.77 3gxr s SER 17 Ca 0.45 2.01 -0.06 0.00 0.48 0.00 0.00 55.95 58.83 3gxr s SER 17 Cb -0.30 -2.55 0.41 0.00 0.10 0.00 0.00 66.02 63.68 3gxr s SER 17 CO 0.38 -2.42 1.71 0.77 0.98 0.00 0.00 173.24 174.66 3gxr h SER 18 N -1.26 0.12 -0.32 7.02 4.64 -1.92 -1.35 113.55 120.48 3gxr h SER 18 Ca -0.44 0.12 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 3gxr h SER 18 Cb 1.25 0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.42 3gxr h SER 18 CO 0.48 0.03 -0.10 0.50 -0.87 0.00 0.00 176.83 176.87 3gxr h LYS 19 N 0.34 -0.03 -0.29 4.77 3.64 -1.93 -0.58 116.57 122.49 3gxr h LYS 19 Ca 0.38 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.62 3gxr h LYS 19 Cb 0.60 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3gxr h LYS 19 CO -0.43 -0.02 -0.40 0.00 -2.27 0.00 0.00 179.45 176.33 3gxr h THR 20 N -0.03 1.29 0.00 1.00 1.03 -1.80 -2.68 112.91 111.72 3gxr h THR 20 Ca 0.16 -1.57 -0.03 0.00 -0.01 0.00 0.00 66.41 64.95 3gxr h THR 20 Cb 0.27 1.50 -0.00 0.00 -1.07 0.00 0.00 68.15 68.84 3gxr h THR 20 CO -0.34 0.51 -0.16 0.77 -0.01 0.00 0.00 175.52 176.28 3gxr h SER 21 N 0.56 0.00 -0.22 0.00 4.64 -0.88 -1.52 113.55 116.14 3gxr h SER 21 Ca 0.05 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3gxr h SER 21 Cb 0.93 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3gxr h SER 21 CO 0.08 0.16 0.23 0.03 -0.87 0.00 0.00 176.83 176.46 3gxr h ARG 22 N 0.00 0.00 0.00 4.77 3.08 -0.75 -2.71 114.38 118.78 3gxr h ARG 22 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3gxr h ARG 22 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3gxr h ARG 22 CO 0.02 0.00 -0.15 -0.56 -1.07 0.00 0.00 179.97 178.21 3gxr h GLN 23 N 0.00 0.00 -0.53 0.04 3.07 -1.34 0.15 115.11 116.49 3gxr h GLN 23 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 3gxr h GLN 23 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 3gxr h GLN 23 CO -0.00 0.15 0.00 -0.25 0.09 0.00 0.00 178.83 178.82 3gxr n ASP 24 N -4.16 4.63 -3.09 0.06 10.43 -1.08 -4.97 116.55 118.37 3gxr n ASP 24 Ca -0.02 -2.61 -0.21 0.00 2.57 0.00 0.00 54.79 54.52 3gxr n ASP 24 Cb 0.22 -0.56 0.05 0.00 1.84 0.00 0.00 41.12 42.68 3gxr n ASP 24 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3gxr n LYS 25 N 0.67 -6.04 -3.09 -1.24 5.02 0.53 -4.97 118.16 109.03 3gxr n LYS 25 Ca 0.24 0.80 -0.39 0.00 -2.02 0.00 0.00 58.31 56.94 3gxr n LYS 25 Cb 0.91 -5.59 -0.06 0.00 -0.02 0.00 0.00 35.03 30.28 3gxr n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gxr s LEU 26 N -6.51 4.53 -0.01 -0.35 1.43 -1.04 -4.97 118.68 111.75 3gxr s LEU 26 Ca 0.42 1.45 0.07 0.00 -1.03 0.00 0.00 54.13 55.04 3gxr s LEU 26 Cb -0.18 -3.12 0.23 0.00 0.03 0.00 0.00 46.19 43.14 3gxr s LEU 26 CO 0.52 0.18 1.16 -1.84 0.23 0.00 0.00 176.35 176.60 3gxr n GLU 27 N 1.96 1.65 -4.15 1.70 0.28 -1.26 -4.47 120.64 116.35 3gxr n GLU 27 Ca -0.07 -0.91 -0.10 0.00 -0.16 0.00 0.00 57.16 55.92 3gxr n GLU 27 Cb 0.50 -1.25 -0.10 0.00 1.43 0.00 0.00 31.44 32.02 3gxr n GLU 27 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 3gxr s TYR 28 N -1.66 0.87 0.00 -1.84 -0.85 -1.26 -5.18 117.35 107.43 3gxr s TYR 28 Ca 0.17 -1.24 0.00 0.00 -0.52 0.00 0.00 57.07 55.48 3gxr s TYR 28 Cb 0.09 -0.48 0.00 0.00 0.38 0.00 0.00 41.96 41.95 3gxr s TYR 28 CO 0.11 -0.53 0.00 -0.40 -1.52 0.00 0.00 175.55 173.21 3gxr n ASP 29 N -0.10 1.48 0.00 -0.18 5.75 -1.26 -4.73 116.55 117.50 3gxr n ASP 29 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 3gxr n ASP 29 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 3gxr n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gxr n GLY 30 N 4.28 -1.01 0.29 6.12 0.00 0.75 -3.21 105.19 112.41 3gxr n GLY 30 Ca 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 46.02 44.82 3gxr n GLY 30 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gxr h VAL 31 N 0.00 0.91 -0.88 1.61 2.07 -1.85 -1.33 116.25 116.78 3gxr h VAL 31 Ca 0.00 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.31 3gxr h VAL 31 Cb 0.00 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.84 3gxr h VAL 31 CO 0.00 0.13 0.58 0.03 0.02 0.00 0.00 177.57 178.33 3gxr h ARG 32 N 0.73 1.06 -0.21 1.57 3.08 -1.95 0.57 114.38 119.23 3gxr h ARG 32 Ca 0.37 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 60.14 3gxr h ARG 32 Cb 0.33 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3gxr h ARG 32 CO -0.24 0.70 -0.69 0.00 -1.07 0.00 0.00 179.97 178.67 3gxr h ALA 33 N 1.49 0.38 -0.19 0.04 0.00 -1.46 0.13 119.26 119.64 3gxr h ALA 33 Ca 0.35 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3gxr h ALA 33 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gxr h ALA 33 CO -0.11 0.68 0.13 0.77 0.00 0.00 0.00 179.25 180.72 3gxr h SER 34 N 0.59 0.22 -0.42 0.00 0.02 -0.53 -0.96 113.55 112.47 3gxr h SER 34 Ca -0.03 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3gxr h SER 34 Cb 1.31 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 3gxr h SER 34 CO 0.15 0.16 0.25 0.45 -1.14 0.00 0.00 176.83 176.70 3gxr h HIS 35 N 0.26 0.56 -0.19 3.45 -0.00 -0.76 0.01 115.15 118.47 3gxr h HIS 35 Ca 0.07 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 3gxr h HIS 35 Cb -0.03 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.15 3gxr h HIS 35 CO -0.07 0.39 -0.10 1.15 -0.00 0.00 0.00 177.93 179.31 3gxr h THR 36 N 0.56 0.69 -0.66 2.45 2.02 -0.47 -0.38 112.91 117.12 3gxr h THR 36 Ca 0.15 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.26 3gxr h THR 36 Cb 0.00 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3gxr h THR 36 CO -0.03 0.00 0.14 0.24 0.37 0.00 0.00 175.52 176.24 3gxr h MET 37 N -0.08 1.05 -0.54 6.66 2.86 -0.97 -1.16 114.93 122.75 3gxr h MET 37 Ca 0.11 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3gxr h MET 37 Cb 0.24 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3gxr h MET 37 CO -0.24 0.94 0.33 0.00 1.06 0.00 0.00 176.91 179.00 3gxr h ALA 38 N 1.15 0.69 -0.97 6.32 0.00 -0.77 -2.16 119.26 123.51 3gxr h ALA 38 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gxr h ALA 38 Cb 0.38 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3gxr h ALA 38 CO 0.00 0.17 0.62 0.37 0.00 0.00 0.00 179.25 180.42 3gxr h GLN 39 N 0.73 1.30 -0.91 0.00 4.15 -0.66 -1.91 115.11 117.81 3gxr h GLN 39 Ca 0.20 -0.09 0.13 0.00 0.77 0.00 0.00 58.65 59.66 3gxr h GLN 39 Cb -0.02 -0.28 -0.07 0.00 0.21 0.00 0.00 27.48 27.31 3gxr h GLN 39 CO -0.04 0.88 0.58 1.15 -1.93 0.00 0.00 178.83 179.47 3gxr h THR 40 N 1.33 0.86 -0.03 2.39 2.02 -0.80 -2.03 112.91 116.64 3gxr h THR 40 Ca 0.35 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3gxr h THR 40 Cb -0.12 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 3gxr h THR 40 CO -0.07 0.14 0.00 0.47 0.37 0.00 0.00 175.52 176.43 3gxr n ASP 41 N -4.57 1.85 -0.00 4.18 8.00 -0.76 -4.46 116.55 120.79 3gxr n ASP 41 Ca 0.17 -1.62 -0.08 0.00 0.71 0.00 0.00 54.79 53.97 3gxr n ASP 41 Cb 0.43 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 41.60 3gxr n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gxr h ALA 42 N 4.41 0.78 -0.01 2.24 0.00 -0.84 0.20 119.26 126.04 3gxr h ALA 42 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gxr h ALA 42 Cb 0.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gxr h ALA 42 CO 0.00 0.66 0.00 0.78 0.00 0.00 0.00 179.25 180.70 3gxr h GLY 43 N 1.06 0.02 1.47 0.00 0.00 -1.78 -2.69 103.07 101.15 3gxr h GLY 43 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3gxr h GLY 43 CO 0.09 0.01 0.06 -0.09 0.00 0.00 0.00 176.54 176.60 3gxr h ARG 44 N -0.22 0.66 0.00 4.80 2.43 -1.79 -2.60 114.38 117.66 3gxr h ARG 44 Ca 0.00 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3gxr h ARG 44 Cb 0.24 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3gxr h ARG 44 CO 0.00 0.64 -0.07 1.98 -1.51 0.00 0.00 179.97 181.00 3gxr h MET 45 N 0.63 0.00 -0.69 0.20 4.05 -0.74 -3.12 114.93 115.27 3gxr h MET 45 Ca 0.14 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.60 3gxr h MET 45 Cb 0.31 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 3gxr h MET 45 CO 0.01 0.07 0.45 0.93 0.23 0.00 0.00 176.91 178.60 3gxr h GLU 46 N 0.00 0.75 0.00 0.39 4.39 -1.13 -0.44 114.58 118.53 3gxr h GLU 46 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3gxr h GLU 46 Cb 0.22 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3gxr h GLU 46 CO 0.01 0.49 0.00 0.36 -1.16 0.00 0.00 179.01 178.71 3gxr n LYS 47 N -4.47 0.21 0.00 2.33 2.85 -1.18 -2.14 118.16 115.76 3gxr n LYS 47 Ca 0.09 0.35 0.12 0.00 -1.05 0.00 0.00 58.31 57.82 3gxr n LYS 47 Cb 0.17 -1.84 0.09 0.00 -0.65 0.00 0.00 35.03 32.80 3gxr n LYS 47 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3gxr n TYR 48 N -2.22 0.00 -0.21 5.58 4.01 -0.19 -4.62 117.16 119.50 3gxr n TYR 48 Ca 0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.76 3gxr n TYR 48 Cb 0.30 -0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.42 3gxr n TYR 48 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3gxr h LYS 49 N 3.88 0.57 -0.51 -0.72 3.64 -1.28 -0.26 116.57 121.89 3gxr h LYS 49 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3gxr h LYS 49 Cb 0.90 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3gxr h LYS 49 CO 0.00 0.38 0.31 1.03 -2.27 0.00 0.00 179.45 178.89 3gxr h SER 50 N 0.59 0.50 0.02 4.20 0.87 -1.82 0.35 113.55 118.26 3gxr h SER 50 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3gxr h SER 50 Cb 0.23 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3gxr h SER 50 CO -0.21 0.35 -0.04 -0.26 -0.53 0.00 0.00 176.83 176.15 3gxr h PHE 51 N 0.61 -0.10 -0.52 2.24 0.04 -1.72 -1.31 116.94 116.19 3gxr h PHE 51 Ca 0.20 0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.06 3gxr h PHE 51 Cb 0.01 0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.13 3gxr h PHE 51 CO -0.06 -0.06 0.13 0.82 -0.60 0.00 0.00 178.31 178.53 3gxr h ILE 52 N -0.08 0.74 -0.51 -0.55 2.04 -0.85 -0.47 117.51 117.84 3gxr h ILE 52 Ca 0.01 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 3gxr h ILE 52 Cb 0.09 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3gxr h ILE 52 CO -0.03 0.05 -0.06 0.78 0.00 0.00 0.00 178.15 178.90 3gxr h ASN 53 N 0.28 0.93 -0.22 1.72 2.35 -0.72 -0.28 115.58 119.63 3gxr h ASN 53 Ca 0.26 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3gxr h ASN 53 Cb 0.34 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3gxr h ASN 53 CO -0.32 1.04 0.13 0.78 -1.65 0.00 0.00 177.43 177.42 3gxr h ASN 54 N 0.80 0.27 -0.16 5.81 2.35 -0.85 -1.29 115.58 122.51 3gxr h ASN 54 Ca 0.14 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3gxr h ASN 54 Cb 0.60 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 3gxr h ASN 54 CO 0.04 0.24 -0.17 0.58 -1.65 0.00 0.00 177.43 176.46 3gxr h VAL 55 N 0.27 1.25 0.06 2.81 2.07 -0.95 -1.87 116.25 119.89 3gxr h VAL 55 Ca 0.08 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3gxr h VAL 55 Cb 0.02 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3gxr h VAL 55 CO -0.02 0.38 -0.03 0.00 0.02 0.00 0.00 177.57 177.93 3gxr h ALA 56 N 1.30 -0.08 -0.47 1.67 0.00 -0.84 -1.32 119.26 119.53 3gxr h ALA 56 Ca 0.09 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3gxr h ALA 56 Cb 0.59 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3gxr h ALA 56 CO 0.04 -0.45 0.27 0.87 0.00 0.00 0.00 179.25 179.98 3gxr h LYS 57 N -0.28 0.52 -0.25 0.00 1.57 -1.14 0.39 116.57 117.39 3gxr h LYS 57 Ca -0.01 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3gxr h LYS 57 Cb 0.24 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 3gxr h LYS 57 CO 0.01 0.34 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.77 3gxr h LYS 58 N 0.53 -0.24 -0.01 3.15 3.64 -1.05 -3.06 116.57 119.54 3gxr h LYS 58 Ca 0.19 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3gxr h LYS 58 Cb 0.04 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3gxr h LYS 58 CO -0.10 -0.16 -0.33 0.72 -2.27 0.00 0.00 179.45 177.31 3gxr n HIS 59 N -5.38 0.00 -3.43 1.91 8.25 -0.52 -4.96 115.22 111.09 3gxr n HIS 59 Ca -0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 3gxr n HIS 59 Cb 0.30 -0.10 0.08 0.00 1.12 0.00 0.00 29.99 31.38 3gxr n HIS 59 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gxr n VAL 60 N -0.61 -3.70 -4.30 1.59 0.31 0.13 -5.01 118.33 106.76 3gxr n VAL 60 Ca 0.11 -0.16 -0.30 0.00 -0.01 0.00 0.00 64.34 63.97 3gxr n VAL 60 Cb 0.37 -4.13 -0.10 0.00 -0.91 0.00 0.00 33.84 29.07 3gxr n VAL 60 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3gxr s VAL 61 N -3.30 3.50 0.11 2.52 1.01 -0.89 -4.86 120.40 118.49 3gxr s VAL 61 Ca 0.35 -1.10 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 3gxr s VAL 61 Cb -0.15 -2.61 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 3gxr s VAL 61 CO 0.66 0.19 1.48 -0.62 0.00 0.00 0.00 175.10 176.82 3gxr s ASP 62 N -1.99 6.72 0.43 3.32 -1.08 -1.26 -4.57 116.67 118.25 3gxr s ASP 62 Ca 0.21 2.42 0.22 0.00 -0.52 0.00 0.00 52.55 54.87 3gxr s ASP 62 Cb -0.11 -2.58 1.18 0.00 -1.46 0.00 0.00 42.92 39.95 3gxr s ASP 62 CO 0.12 -0.74 1.81 1.55 0.52 0.00 0.00 175.17 178.42 3gxr h PRO 63 N 7.10 0.31 -0.12 4.34 0.13 -1.88 -1.94 132.00 139.94 3gxr h PRO 63 Ca -0.42 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 3gxr h PRO 63 Cb 1.20 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3gxr h PRO 63 CO 0.89 0.20 -0.24 0.00 -0.23 0.00 0.00 178.00 178.63 3gxr h ALA 64 N 1.59 1.38 -0.37 -0.56 0.00 -1.89 -0.93 119.26 118.48 3gxr h ALA 64 Ca 0.55 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3gxr h ALA 64 Cb 1.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3gxr h ALA 64 CO -0.21 0.43 0.06 0.28 0.00 0.00 0.00 179.25 179.81 3gxr h VAL 65 N 0.19 1.24 -0.02 0.00 2.07 -1.65 -0.43 116.25 117.64 3gxr h VAL 65 Ca 0.03 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3gxr h VAL 65 Cb 0.53 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3gxr h VAL 65 CO 0.04 0.29 0.00 0.40 0.02 0.00 0.00 177.57 178.32 3gxr h ILE 66 N 0.45 1.19 -0.73 4.57 2.04 -1.36 -1.40 117.51 122.27 3gxr h ILE 66 Ca 0.11 -0.56 0.15 0.00 1.00 0.00 0.00 64.86 65.56 3gxr h ILE 66 Cb 0.36 1.53 -0.10 0.00 -0.74 0.00 0.00 36.82 37.87 3gxr h ILE 66 CO 0.01 0.15 0.22 0.00 0.00 0.00 0.00 178.15 178.53 3gxr h ALA 67 N 0.78 0.98 -0.75 1.87 0.00 -1.22 0.58 119.26 121.49 3gxr h ALA 67 Ca 0.01 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3gxr h ALA 67 Cb 0.24 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3gxr h ALA 67 CO 0.00 -0.29 0.50 0.00 0.00 0.00 0.00 179.25 179.45 3gxr h ALA 68 N 1.58 0.96 -0.23 0.00 0.00 -0.39 0.10 119.26 121.28 3gxr h ALA 68 Ca 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3gxr h ALA 68 Cb 0.67 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gxr h ALA 68 CO -0.46 0.38 0.05 0.82 0.00 0.00 0.00 179.25 180.04 3gxr h ILE 69 N 1.02 1.21 -0.64 0.00 2.04 -0.83 0.12 117.51 120.44 3gxr h ILE 69 Ca 0.28 -0.70 0.11 0.00 1.00 0.00 0.00 64.86 65.54 3gxr h ILE 69 Cb -0.11 1.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 3gxr h ILE 69 CO -0.06 0.22 0.22 0.40 0.00 0.00 0.00 178.15 178.93 3gxr h ILE 70 N 0.19 0.72 0.16 -0.67 2.04 -0.47 0.14 117.51 119.63 3gxr h ILE 70 Ca 0.07 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3gxr h ILE 70 Cb 0.29 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3gxr h ILE 70 CO 0.00 0.07 -0.08 -1.28 0.00 0.00 0.00 178.15 176.86 3gxr h SER 71 N 0.38 -0.18 -0.62 1.72 0.87 -0.54 -2.26 113.55 112.91 3gxr h SER 71 Ca 0.33 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.73 3gxr h SER 71 Cb 0.45 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 3gxr h SER 71 CO -0.35 -0.04 0.09 -0.09 -0.53 0.00 0.00 176.83 175.92 3gxr h ARG 72 N -0.33 1.05 -0.01 2.24 9.65 -0.28 -0.72 114.38 125.99 3gxr h ARG 72 Ca -0.02 -0.28 -0.26 0.00 -1.10 0.00 0.00 59.98 58.31 3gxr h ARG 72 Cb 0.26 -0.12 0.02 0.00 -1.39 0.00 0.00 29.97 28.73 3gxr h ARG 72 CO 0.04 0.97 -1.02 0.93 2.80 0.00 0.00 179.97 183.69 3gxr h GLU 73 N 0.99 0.71 0.00 0.20 4.39 -0.68 -3.39 114.58 116.80 3gxr h GLU 73 Ca 0.19 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3gxr h GLU 73 Cb 0.44 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3gxr h GLU 73 CO 0.01 1.32 -0.26 -1.13 -1.16 0.00 0.00 179.01 177.80 3gxr n SER 74 N -3.87 0.00 -3.99 1.42 3.41 -0.88 -4.87 113.62 104.83 3gxr n SER 74 Ca -0.11 -1.51 -0.28 0.00 -0.26 0.00 0.00 58.87 56.71 3gxr n SER 74 Cb 0.87 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.71 3gxr n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gxr n ARG 75 N 0.00 -3.76 -3.78 4.33 5.12 -0.27 -1.28 116.66 117.02 3gxr n ARG 75 Ca 0.00 0.45 -0.28 0.00 -1.93 0.00 0.00 57.85 56.08 3gxr n ARG 75 Cb 0.60 -4.88 0.04 0.00 -1.16 0.00 0.00 32.46 27.06 3gxr n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gxr n ALA 76 N -4.43 -1.26 0.00 7.54 0.00 -1.01 -2.04 120.51 119.31 3gxr n ALA 76 Ca -0.16 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3gxr n ALA 76 Cb 0.61 -4.66 0.00 0.00 0.00 0.00 0.00 19.45 15.40 3gxr n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gxr n GLY 77 N -1.74 3.39 0.37 0.00 0.00 -0.40 -4.76 105.19 102.05 3gxr n GLY 77 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.21 3gxr n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gxr h ASN 78 N 0.00 0.24 -0.00 1.61 -1.24 -0.91 0.77 115.58 116.05 3gxr h ASN 78 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3gxr h ASN 78 Cb 0.00 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.01 3gxr h ASN 78 CO 0.00 0.13 -0.28 1.33 -1.29 0.00 0.00 177.43 177.33 3gxr n VAL 79 N -4.44 0.00 0.10 2.57 0.24 -1.13 -4.39 118.33 111.28 3gxr n VAL 79 Ca 0.11 -0.33 0.01 0.00 -2.04 0.00 0.00 64.34 62.09 3gxr n VAL 79 Cb 0.50 1.24 -0.01 0.00 -1.47 0.00 0.00 33.84 34.11 3gxr n VAL 79 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3gxr n ILE 80 N 0.41 0.00 0.25 1.34 -5.35 0.12 -4.76 119.36 111.37 3gxr n ILE 80 Ca 0.12 -0.46 0.15 0.00 -0.27 0.00 0.00 62.75 62.28 3gxr n ILE 80 Cb 0.50 1.01 0.50 0.00 -1.74 0.00 0.00 39.64 39.92 3gxr n ILE 80 CO 0.00 0.00 0.00 2.19 -1.76 0.00 0.00 176.55 176.98 3gxr h PHE 81 N 0.12 0.00 -0.40 4.28 -5.15 -1.36 0.56 116.94 114.99 3gxr h PHE 81 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3gxr h PHE 81 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.23 3gxr h PHE 81 CO 0.00 0.03 0.00 -1.71 -2.00 0.00 0.00 178.31 174.63 3gxr n ASN 82 N -3.13 3.40 -4.84 -0.68 2.85 -1.26 -4.67 115.26 106.93 3gxr n ASN 82 Ca 0.02 -2.24 -0.30 0.00 -0.11 0.00 0.00 54.58 51.95 3gxr n ASN 82 Cb 0.39 -0.35 0.08 0.00 1.24 0.00 0.00 39.78 41.14 3gxr n ASN 82 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3gxr s THR 83 N -1.44 2.84 -0.20 -0.44 -4.23 -1.15 -4.96 115.64 106.05 3gxr s THR 83 Ca 0.32 0.27 -0.00 0.00 -1.18 0.00 0.00 61.69 61.10 3gxr s THR 83 Cb 0.20 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.96 3gxr s THR 83 CO 0.17 -0.36 -0.04 0.42 -0.54 0.00 0.00 174.62 174.28 3gxr s THR 84 N -3.31 1.21 0.83 3.99 -4.23 -1.26 -1.95 115.64 110.92 3gxr s THR 84 Ca 0.61 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 60.10 3gxr s THR 84 Cb -0.13 -1.48 0.09 0.00 1.34 0.00 0.00 72.50 72.32 3gxr s THR 84 CO 0.52 -0.04 1.14 -2.16 -0.54 0.00 0.00 174.62 173.55 3gxr s PRO 85 N 1.56 1.77 0.53 3.99 0.04 -1.26 -5.06 135.00 136.57 3gxr s PRO 85 Ca -0.03 0.30 -0.21 0.00 0.04 0.00 0.00 61.00 61.11 3gxr s PRO 85 Cb -0.17 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3gxr s PRO 85 CO -0.07 -1.76 1.20 -2.14 0.04 0.00 0.00 177.00 174.26 3gxr s PRO 86 N -5.38 3.33 0.00 0.56 0.02 -0.82 -4.01 135.00 128.70 3gxr s PRO 86 Ca 0.62 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.46 3gxr s PRO 86 Cb -0.13 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.25 3gxr s PRO 86 CO 0.52 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 3gxr n GLY 87 N 0.44 0.78 3.86 0.52 0.00 0.18 -4.84 105.19 106.14 3gxr n GLY 87 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3gxr n GLY 87 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gxr s TRP 88 N -2.21 3.58 0.33 1.61 0.52 -1.26 -0.56 118.94 120.96 3gxr s TRP 88 Ca 0.00 0.51 0.07 0.00 0.02 0.00 0.00 56.10 56.70 3gxr s TRP 88 Cb 0.00 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.32 3gxr s TRP 88 CO 0.00 0.68 0.27 0.41 0.02 0.00 0.00 176.95 178.33 3gxr n GLY 89 N 2.17 2.95 3.63 0.98 0.00 0.35 -4.76 105.19 110.51 3gxr n GLY 89 Ca -0.19 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.70 3gxr n GLY 89 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gxr n ASP 90 N -1.69 -2.36 -3.97 1.61 2.03 -1.26 -1.17 116.55 109.74 3gxr n ASP 90 Ca 0.07 -0.82 -0.30 0.00 0.52 0.00 0.00 54.79 54.26 3gxr n ASP 90 Cb 0.60 -4.18 -0.02 0.00 -0.72 0.00 0.00 41.12 36.80 3gxr n ASP 90 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3gxr n ASN 91 N -3.03 -1.43 -2.47 1.67 5.15 -1.26 -1.58 115.26 112.31 3gxr n ASN 91 Ca -0.25 -1.08 -0.20 0.00 -0.60 0.00 0.00 54.58 52.45 3gxr n ASN 91 Cb 0.66 -2.74 -0.01 0.00 -0.53 0.00 0.00 39.78 37.17 3gxr n ASN 91 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3gxr n TYR 92 N -4.46 -1.14 -0.07 1.20 4.02 -0.59 -4.86 117.16 111.25 3gxr n TYR 92 Ca -0.25 0.05 -0.04 0.00 -0.01 0.00 0.00 57.90 57.64 3gxr n TYR 92 Cb 0.66 -3.87 -0.14 0.00 -0.02 0.00 0.00 39.34 35.96 3gxr n TYR 92 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3gxr n ASN 93 N -2.04 0.63 -4.56 7.72 4.13 -0.58 -4.92 115.26 115.64 3gxr n ASN 93 Ca -0.22 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.70 3gxr n ASN 93 Cb 0.67 1.15 -0.11 0.00 -1.54 0.00 0.00 39.78 39.96 3gxr n ASN 93 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3gxr s GLY 94 N -4.95 1.79 -0.07 7.41 0.00 -0.32 -1.01 107.32 110.18 3gxr s GLY 94 Ca -0.08 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.88 3gxr s GLY 94 CO 0.74 -0.06 -0.17 -0.12 0.00 0.00 0.00 173.10 173.50 3gxr s PHE 95 N 0.28 2.66 0.00 1.90 5.36 0.22 -0.49 117.98 127.90 3gxr s PHE 95 Ca -0.01 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 55.56 3gxr s PHE 95 Cb -0.13 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.88 3gxr s PHE 95 CO 0.02 -0.00 0.00 0.41 -1.46 0.00 0.00 175.22 174.19 3gxr n GLY 96 N 2.74 -0.97 0.41 13.12 0.00 0.27 -0.06 105.19 120.69 3gxr n GLY 96 Ca -0.17 -1.65 0.30 0.00 0.00 0.00 0.00 46.02 44.49 3gxr n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gxr h LEU 97 N 0.00 0.37 -2.91 0.99 3.38 -1.55 -0.50 115.31 115.09 3gxr h LEU 97 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3gxr h LEU 97 Cb 0.00 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gxr h LEU 97 CO 0.00 -0.12 0.00 0.23 0.09 0.00 0.00 178.44 178.64 3gxr n MET 98 N -4.81 2.88 -3.72 1.13 2.81 -1.26 -3.67 117.12 110.48 3gxr n MET 98 Ca 0.33 -2.12 -0.33 0.00 -1.81 0.00 0.00 57.70 53.77 3gxr n MET 98 Cb 1.18 -1.32 0.04 0.00 -0.71 0.00 0.00 33.22 32.41 3gxr n MET 98 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3gxr n GLN 99 N 0.45 -1.19 -2.01 0.03 1.13 -0.20 -4.93 117.38 110.66 3gxr n GLN 99 Ca 0.13 0.42 -0.41 0.00 -1.94 0.00 0.00 57.00 55.19 3gxr n GLN 99 Cb 0.47 -3.99 -0.02 0.00 0.11 0.00 0.00 30.24 26.81 3gxr n GLN 99 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gxr s VAL 100 N -3.48 2.63 -0.36 5.09 1.01 0.91 -4.41 120.40 121.79 3gxr s VAL 100 Ca 0.47 0.55 -0.24 0.00 0.00 0.00 0.00 61.98 62.76 3gxr s VAL 100 Cb -0.18 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3gxr s VAL 100 CO 0.87 0.10 0.83 -0.62 0.00 0.00 0.00 175.10 176.28 3gxr s ASP 101 N 0.23 6.61 0.32 3.32 -1.08 -1.26 -0.61 116.67 124.21 3gxr s ASP 101 Ca 0.58 0.48 0.24 0.00 -0.52 0.00 0.00 52.55 53.33 3gxr s ASP 101 Cb -0.42 -2.42 1.16 0.00 -1.46 0.00 0.00 42.92 39.78 3gxr s ASP 101 CO 0.45 -0.76 1.73 0.07 0.52 0.00 0.00 175.17 177.19 3gxr h LYS 102 N 8.42 0.00 0.00 4.34 2.10 -1.20 -0.13 116.57 130.10 3gxr h LYS 102 Ca -0.24 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.35 3gxr h LYS 102 Cb 1.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 3gxr h LYS 102 CO 0.93 0.00 -0.27 0.00 -2.00 0.00 0.00 179.45 178.11 3gxr h ARG 103 N 0.00 0.00 0.00 0.07 3.08 -1.91 -3.34 114.38 112.28 3gxr h ARG 103 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3gxr h ARG 103 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3gxr h ARG 103 CO 0.00 0.27 -1.45 0.66 -1.07 0.00 0.00 179.97 178.39 3gxr n TYR 104 N -3.28 0.00 -3.96 3.04 4.01 -0.16 -5.02 117.16 111.79 3gxr n TYR 104 Ca 0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 3gxr n TYR 104 Cb 0.54 -0.24 -0.14 0.00 -0.31 0.00 0.00 39.34 39.19 3gxr n TYR 104 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3gxr s HIS 105 N -2.59 0.18 -0.21 -0.72 3.76 -0.62 -5.07 115.29 110.02 3gxr s HIS 105 Ca -0.04 -0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 54.48 3gxr s HIS 105 Cb 0.06 -0.12 -0.00 0.00 1.11 0.00 0.00 32.58 33.62 3gxr s HIS 105 CO 0.38 -0.03 1.22 -2.00 -0.85 0.00 0.00 174.74 173.47 3gxr s GLU 106 N -0.27 4.16 -0.18 1.40 2.12 -1.26 -3.99 118.70 120.68 3gxr s GLU 106 Ca -0.02 1.49 -0.29 0.00 0.36 0.00 0.00 54.97 56.51 3gxr s GLU 106 Cb -0.02 -3.77 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 3gxr s GLU 106 CO -0.00 -0.79 1.46 -1.25 -0.54 0.00 0.00 175.26 174.13 3gxr s PRO 107 N 3.60 4.05 0.20 4.30 0.04 -1.26 -5.00 135.00 140.94 3gxr s PRO 107 Ca 0.53 1.72 0.06 0.00 0.04 0.00 0.00 61.00 63.35 3gxr s PRO 107 Cb -0.19 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 3gxr s PRO 107 CO 0.15 -0.97 0.12 1.03 0.04 0.00 0.00 177.00 177.37 3gxr s ARG 108 N 4.06 2.77 0.00 4.56 0.52 -1.26 -5.05 118.95 124.54 3gxr s ARG 108 Ca 0.64 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 3gxr s ARG 108 Cb -0.24 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.70 3gxr s ARG 108 CO 0.23 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.41 3gxr n GLY 109 N -0.61 -1.94 3.76 -3.53 0.00 -1.26 -3.94 105.19 97.68 3gxr n GLY 109 Ca -0.08 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 3gxr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gxr s ALA 110 N -2.05 2.43 0.58 4.61 0.00 -1.26 -4.87 121.76 121.20 3gxr s ALA 110 Ca 0.00 0.61 0.28 0.00 0.00 0.00 0.00 51.96 52.85 3gxr s ALA 110 Cb 0.00 -3.34 1.78 0.00 0.00 0.00 0.00 23.12 21.56 3gxr s ALA 110 CO 0.00 -1.34 2.25 0.11 0.00 0.00 0.00 175.76 176.78 3gxr h TRP 111 N 0.03 0.00 -0.20 0.00 5.08 -1.88 -1.62 115.95 117.36 3gxr h TRP 111 Ca -0.47 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.42 3gxr h TRP 111 Cb 1.25 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.36 3gxr h TRP 111 CO 0.53 0.00 -0.17 0.27 -1.28 0.00 0.00 178.44 177.79 3gxr n ASN 112 N -3.91 2.45 -4.91 0.11 0.23 -1.26 -1.46 115.26 106.50 3gxr n ASN 112 Ca -0.03 -3.62 -0.27 0.00 -0.53 0.00 0.00 54.58 50.13 3gxr n ASN 112 Cb 0.08 -0.57 -0.02 0.00 -2.08 0.00 0.00 39.78 37.20 3gxr n ASN 112 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3gxr s SER 113 N -2.69 6.37 0.18 0.53 1.04 -0.61 -5.00 113.70 113.51 3gxr s SER 113 Ca 0.41 0.77 -0.12 0.00 0.48 0.00 0.00 55.95 57.49 3gxr s SER 113 Cb 0.37 -2.17 0.08 0.00 0.10 0.00 0.00 66.02 64.40 3gxr s SER 113 CO -0.00 -0.36 1.75 -0.08 0.98 0.00 0.00 173.24 175.53 3gxr h GLU 114 N 0.98 0.89 -0.96 4.02 4.81 -1.95 -1.87 114.58 120.50 3gxr h GLU 114 Ca -0.48 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 58.65 3gxr h GLU 114 Cb 1.20 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.37 3gxr h GLU 114 CO 0.63 0.73 0.63 1.49 -0.73 0.00 0.00 179.01 181.76 3gxr h GLU 115 N 0.84 1.15 -0.04 1.92 4.57 -1.92 0.13 114.58 121.21 3gxr h GLU 115 Ca 0.21 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3gxr h GLU 115 Cb 0.15 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3gxr h GLU 115 CO -0.02 0.76 0.02 1.25 -1.18 0.00 0.00 179.01 179.83 3gxr h HIS 116 N 1.18 0.06 -0.70 0.92 2.76 -1.62 -0.47 115.15 117.28 3gxr h HIS 116 Ca 0.39 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.59 3gxr h HIS 116 Cb 0.05 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 3gxr h HIS 116 CO -0.00 0.18 0.46 0.82 -1.30 0.00 0.00 177.93 178.09 3gxr h ILE 117 N -0.07 1.08 -0.14 6.26 2.04 -0.67 -0.89 117.51 125.12 3gxr h ILE 117 Ca 0.01 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3gxr h ILE 117 Cb 0.14 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3gxr h ILE 117 CO -0.00 0.15 0.02 -0.78 0.00 0.00 0.00 178.15 177.53 3gxr h ASP 118 N 0.82 0.23 0.01 1.72 1.82 -0.59 -0.30 116.42 120.13 3gxr h ASP 118 Ca 0.28 -0.28 0.02 0.00 -0.39 0.00 0.00 57.03 56.67 3gxr h ASP 118 Cb 0.11 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.03 3gxr h ASP 118 CO -0.08 0.45 -0.14 -0.61 -1.61 0.00 0.00 179.24 177.25 3gxr h GLN 119 N 0.01 -0.23 -0.45 0.28 4.15 -0.51 0.11 115.11 118.47 3gxr h GLN 119 Ca 0.04 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3gxr h GLN 119 Cb 0.32 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 3gxr h GLN 119 CO 0.00 -0.15 0.22 0.00 -1.93 0.00 0.00 178.83 176.98 3gxr h ALA 120 N 0.71 0.58 -0.48 3.38 0.00 -1.10 -0.25 119.26 122.10 3gxr h ALA 120 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gxr h ALA 120 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gxr h ALA 120 CO -0.13 0.14 0.29 1.15 0.00 0.00 0.00 179.25 180.70 3gxr h THR 121 N 0.59 1.15 -0.74 0.00 2.02 -0.88 -1.25 112.91 113.79 3gxr h THR 121 Ca 0.16 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 67.03 3gxr h THR 121 Cb 0.11 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 3gxr h THR 121 CO -0.02 0.15 0.49 1.23 0.37 0.00 0.00 175.52 177.74 3gxr h GLY 122 N 0.64 1.03 1.00 2.16 0.00 -0.40 0.76 103.07 108.25 3gxr h GLY 122 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3gxr h GLY 122 CO -0.03 0.33 0.28 -2.22 0.00 0.00 0.00 176.54 174.90 3gxr h ILE 123 N 0.94 1.13 -0.72 2.60 2.04 -0.54 -0.84 117.51 122.12 3gxr h ILE 123 Ca 0.29 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3gxr h ILE 123 Cb -0.00 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3gxr h ILE 123 CO -0.08 0.13 0.45 0.25 0.00 0.00 0.00 178.15 178.90 3gxr h LEU 124 N 0.60 0.85 -0.85 1.44 5.85 -0.50 -1.90 115.31 120.80 3gxr h LEU 124 Ca 0.16 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3gxr h LEU 124 Cb -0.04 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3gxr h LEU 124 CO -0.03 0.65 0.25 0.58 -0.34 0.00 0.00 178.44 179.54 3gxr h VAL 125 N 0.98 1.25 -0.99 1.05 2.07 -0.48 0.10 116.25 120.24 3gxr h VAL 125 Ca 0.26 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 67.02 3gxr h VAL 125 Cb -0.06 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.06 3gxr h VAL 125 CO -0.05 0.34 0.63 -1.13 0.02 0.00 0.00 177.57 177.37 3gxr h ASN 126 N 1.06 0.98 -0.26 0.57 -0.00 -0.95 -1.66 115.58 115.32 3gxr h ASN 126 Ca 0.24 0.02 -0.15 0.00 -0.00 0.00 0.00 56.30 56.42 3gxr h ASN 126 Cb 0.26 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.40 3gxr h ASN 126 CO -0.01 0.59 -0.38 -0.26 -0.00 0.00 0.00 177.43 177.37 3gxr h PHE 127 N 1.09 0.95 -0.40 0.67 0.04 -0.17 -0.00 116.94 119.13 3gxr h PHE 127 Ca 0.45 -0.28 0.08 0.00 2.80 0.00 0.00 57.97 61.02 3gxr h PHE 127 Cb 0.28 -0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.15 3gxr h PHE 127 CO -0.01 1.05 -0.11 0.82 -0.60 0.00 0.00 178.31 179.46 3gxr h ILE 128 N 0.66 0.57 -0.87 -0.55 2.04 -0.59 0.35 117.51 119.13 3gxr h ILE 128 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3gxr h ILE 128 Cb 0.93 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3gxr h ILE 128 CO 0.09 0.00 0.46 1.56 0.00 0.00 0.00 178.15 180.26 3gxr h GLN 129 N -0.02 1.22 -0.26 2.37 4.20 -1.10 0.19 115.11 121.71 3gxr h GLN 129 Ca 0.19 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 3gxr h GLN 129 Cb 0.31 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3gxr h GLN 129 CO -0.42 0.90 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.33 3gxr h LEU 130 N 1.22 0.66 -0.63 1.46 3.38 -0.59 -2.83 115.31 117.98 3gxr h LEU 130 Ca 0.30 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3gxr h LEU 130 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3gxr h LEU 130 CO -0.05 0.99 -0.03 0.40 0.09 0.00 0.00 178.44 179.85 3gxr h ILE 131 N 0.34 1.27 -0.36 1.22 1.08 -0.18 -1.11 117.51 119.75 3gxr h ILE 131 Ca 0.04 -1.18 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 3gxr h ILE 131 Cb 0.80 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 3gxr h ILE 131 CO 0.06 0.43 0.10 1.56 -0.69 0.00 0.00 178.15 179.61 3gxr h GLN 132 N 0.95 0.53 -0.13 2.37 4.20 -0.62 0.86 115.11 123.27 3gxr h GLN 132 Ca 0.16 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 3gxr h GLN 132 Cb 0.59 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3gxr h GLN 132 CO 0.04 0.48 -0.43 0.87 -0.67 0.00 0.00 178.83 179.11 3gxr h LYS 133 N 0.52 0.52 -0.58 1.46 1.57 -1.29 -3.15 116.57 115.63 3gxr h LYS 133 Ca 0.12 -0.38 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 3gxr h LYS 133 Cb 0.18 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3gxr h LYS 133 CO -0.01 1.01 0.01 -0.22 -0.57 0.00 0.00 179.45 179.67 3gxr h LYS 134 N 0.13 1.01 -2.28 3.15 3.64 -0.96 -3.34 116.57 117.93 3gxr h LYS 134 Ca -0.02 -0.32 -0.61 0.00 -1.27 0.00 0.00 60.65 58.43 3gxr h LYS 134 Cb 1.05 -0.09 -0.41 0.00 -0.41 0.00 0.00 32.23 32.37 3gxr h LYS 134 CO 0.09 1.00 -0.49 1.19 -2.27 0.00 0.00 179.45 178.97 3gxr n PHE 135 N -4.23 3.82 0.47 1.91 3.72 0.27 -4.87 117.46 118.55 3gxr n PHE 135 Ca 0.02 -3.92 0.11 0.00 -0.05 0.00 0.00 57.45 53.61 3gxr n PHE 135 Cb 0.33 -0.57 0.45 0.00 -0.94 0.00 0.00 39.48 38.75 3gxr n PHE 135 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3gxr n PRO 136 N 0.13 0.16 -0.17 -1.08 -0.04 -1.19 -2.34 135.00 130.47 3gxr n PRO 136 Ca 0.31 0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 64.01 3gxr n PRO 136 Cb 0.39 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 3gxr n PRO 136 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3gxr h SER 137 N 0.00 1.00 -4.23 3.54 0.02 -1.89 -3.46 113.55 108.53 3gxr h SER 137 Ca 0.00 -0.37 -0.53 0.00 -0.84 0.00 0.00 61.79 60.05 3gxr h SER 137 Cb 0.40 -0.28 0.18 0.00 0.14 0.00 0.00 62.40 62.84 3gxr h SER 137 CO 0.00 1.15 0.31 0.26 -1.14 0.00 0.00 176.83 177.41 3gxr s TRP 138 N -4.76 1.83 0.86 3.45 0.52 -0.99 -5.01 118.94 114.83 3gxr s TRP 138 Ca -0.12 1.69 -0.11 0.00 0.02 0.00 0.00 56.10 57.58 3gxr s TRP 138 Cb 0.12 -3.42 0.10 0.00 -1.15 0.00 0.00 33.47 29.13 3gxr s TRP 138 CO 0.86 -2.74 1.09 -1.54 0.02 0.00 0.00 176.95 174.64 3gxr s SER 139 N -2.37 3.87 0.32 2.95 1.04 -1.26 -4.82 113.70 113.44 3gxr s SER 139 Ca 0.71 1.45 0.00 0.00 0.48 0.00 0.00 55.95 58.59 3gxr s SER 139 Cb -0.26 -2.15 0.55 0.00 0.10 0.00 0.00 66.02 64.25 3gxr s SER 139 CO 0.52 -2.38 1.98 0.74 0.98 0.00 0.00 173.24 175.08 3gxr h THR 140 N -1.37 1.17 -0.27 2.02 2.02 -1.96 0.20 112.91 114.72 3gxr h THR 140 Ca -0.48 -0.34 -0.13 0.00 0.77 0.00 0.00 66.41 66.23 3gxr h THR 140 Cb 1.28 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3gxr h THR 140 CO 0.56 0.18 -0.33 -0.33 0.37 0.00 0.00 175.52 175.97 3gxr h GLU 141 N 0.99 0.69 -0.75 6.66 3.07 -1.90 -0.96 114.58 122.38 3gxr h GLU 141 Ca 0.28 -0.39 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 3gxr h GLU 141 Cb -0.06 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 3gxr h GLU 141 CO -0.07 1.01 0.49 1.96 -1.40 0.00 0.00 179.01 180.99 3gxr h GLN 142 N 0.42 0.99 -0.45 2.33 4.20 -1.79 -1.40 115.11 119.42 3gxr h GLN 142 Ca 0.03 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.70 3gxr h GLN 142 Cb 0.91 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 3gxr h GLN 142 CO 0.08 0.67 0.26 1.96 -0.67 0.00 0.00 178.83 181.13 3gxr h GLN 143 N 1.02 0.52 -0.69 1.46 4.20 -0.92 0.38 115.11 121.08 3gxr h GLN 143 Ca 0.27 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.02 3gxr h GLN 143 Cb -0.10 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.50 3gxr h GLN 143 CO -0.06 0.34 0.38 1.25 -0.67 0.00 0.00 178.83 180.07 3gxr h LEU 144 N 0.53 0.56 -0.28 1.46 5.85 -0.49 -0.21 115.31 122.73 3gxr h LEU 144 Ca 0.18 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3gxr h LEU 144 Cb 0.02 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3gxr h LEU 144 CO -0.09 0.36 0.09 0.50 -0.34 0.00 0.00 178.44 178.96 3gxr h LYS 145 N 0.69 0.43 -0.89 1.25 3.64 -0.97 -1.69 116.57 119.04 3gxr h LYS 145 Ca 0.31 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3gxr h LYS 145 Cb 0.21 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 3gxr h LYS 145 CO -0.19 0.49 0.59 0.78 -2.27 0.00 0.00 179.45 178.84 3gxr h GLY 146 N 0.28 1.26 1.01 5.01 0.00 -0.43 -1.35 103.07 108.86 3gxr h GLY 146 Ca 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3gxr h GLY 146 CO -0.00 0.44 0.51 0.00 0.00 0.00 0.00 176.54 177.49 3gxr h ALA 147 N 1.34 1.03 -0.61 3.60 0.00 -0.68 0.06 119.26 123.99 3gxr h ALA 147 Ca 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3gxr h ALA 147 Cb -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 3gxr h ALA 147 CO -0.08 0.47 0.40 0.82 0.00 0.00 0.00 179.25 180.86 3gxr h ILE 148 N 1.11 1.15 -0.44 0.00 2.04 -0.99 0.45 117.51 120.83 3gxr h ILE 148 Ca 0.29 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3gxr h ILE 148 Cb -0.08 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 3gxr h ILE 148 CO -0.06 0.15 0.19 0.00 0.00 0.00 0.00 178.15 178.43 3gxr h ALA 149 N 1.23 0.54 -0.55 1.87 0.00 -0.93 -2.35 119.26 119.07 3gxr h ALA 149 Ca 0.23 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3gxr h ALA 149 Cb -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3gxr h ALA 149 CO -0.05 -0.19 0.37 0.00 0.00 0.00 0.00 179.25 179.37 3gxr h ALA 150 N 1.26 1.94 -0.66 0.00 0.00 -0.61 0.49 119.26 121.68 3gxr h ALA 150 Ca 0.20 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3gxr h ALA 150 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3gxr h ALA 150 CO -0.17 -0.05 0.44 -0.92 0.00 0.00 0.00 179.25 178.54 3gxr h TYR 151 N 0.44 0.66 0.14 0.00 3.20 -0.35 0.36 116.97 121.42 3gxr h TYR 151 Ca 0.25 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.80 3gxr h TYR 151 Cb 0.40 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3gxr h TYR 151 CO -0.00 0.34 -1.75 -0.97 -1.64 0.00 0.00 178.16 174.15 3gxr h ASN 152 N 0.64 0.46 0.00 -2.11 -0.73 -0.95 -3.43 115.58 109.47 3gxr h ASN 152 Ca 0.29 -0.91 0.00 0.00 1.87 0.00 0.00 56.30 57.55 3gxr h ASN 152 Cb 0.31 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.75 3gxr h ASN 152 CO -0.09 1.77 0.00 1.07 -0.37 0.00 0.00 177.43 179.81 3gxr n THR 153 N -3.67 0.00 0.00 -3.57 5.66 -0.35 -4.91 114.28 107.44 3gxr n THR 153 Ca -0.28 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 3gxr n THR 153 Cb 1.01 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.81 3gxr n THR 153 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gxr n GLY 154 N 0.41 -1.32 0.23 1.09 0.00 0.13 -4.41 105.19 101.32 3gxr n GLY 154 Ca 0.00 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.69 3gxr n GLY 154 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gxr h ASP 155 N 0.00 0.00 0.61 1.61 2.03 -1.93 -1.95 116.42 116.80 3gxr h ASP 155 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3gxr h ASP 155 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3gxr h ASP 155 CO 0.00 0.19 0.00 1.23 -1.03 0.00 0.00 179.24 179.63 3gxr h GLY 156 N 0.77 0.00 -1.83 7.15 0.00 -1.96 -2.26 103.07 104.94 3gxr h GLY 156 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gxr h GLY 156 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.11 3gxr n ARG 157 N -2.53 3.00 -3.63 4.80 1.74 -0.73 -4.81 116.66 114.49 3gxr n ARG 157 Ca 0.01 -2.40 -0.40 0.00 -0.77 0.00 0.00 57.85 54.29 3gxr n ARG 157 Cb 0.20 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.02 3gxr n ARG 157 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gxr s VAL 158 N -1.41 4.47 -0.09 1.55 1.01 -0.85 -4.52 120.40 120.54 3gxr s VAL 158 Ca 0.35 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3gxr s VAL 158 Cb 0.21 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 3gxr s VAL 158 CO 0.19 -0.17 -0.04 -0.62 0.00 0.00 0.00 175.10 174.46 3gxr n GLU 159 N 4.97 1.41 -4.05 2.72 1.02 -1.26 -4.99 120.64 120.46 3gxr n GLU 159 Ca -0.12 0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.94 3gxr n GLU 159 Cb 0.46 -1.21 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 3gxr n GLU 159 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gxr s SER 160 N -4.54 0.18 0.04 1.62 1.04 -1.26 -5.03 113.70 105.76 3gxr s SER 160 Ca -0.09 -1.14 -0.16 0.00 0.48 0.00 0.00 55.95 55.03 3gxr s SER 160 Cb 0.03 0.57 -0.28 0.00 0.10 0.00 0.00 66.02 66.45 3gxr s SER 160 CO 0.29 -1.13 1.10 0.22 0.98 0.00 0.00 173.24 174.69 3gxr h TYR 161 N 2.28 0.93 -0.91 5.02 3.20 -1.97 -0.50 116.97 125.02 3gxr h TYR 161 Ca -0.28 -0.56 0.07 0.00 3.14 0.00 0.00 58.73 61.09 3gxr h TYR 161 Cb 1.25 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.38 3gxr h TYR 161 CO 0.65 1.41 0.59 1.05 -1.64 0.00 0.00 178.16 180.22 3gxr h GLU 162 N 0.18 0.98 -0.45 1.82 4.11 -2.03 -2.75 114.58 116.46 3gxr h GLU 162 Ca -0.16 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.21 3gxr h GLU 162 Cb 1.77 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3gxr h GLU 162 CO 0.21 0.65 0.00 -1.13 0.07 0.00 0.00 179.01 178.81 3gxr n SER 163 N -4.50 4.18 -0.32 3.06 3.41 -1.18 -4.78 113.62 113.49 3gxr n SER 163 Ca 0.14 -2.59 0.20 0.00 -0.26 0.00 0.00 58.87 56.35 3gxr n SER 163 Cb 0.22 -0.50 0.40 0.00 -0.26 0.00 0.00 64.21 64.06 3gxr n SER 163 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3gxr h VAL 164 N 2.86 0.27 -0.21 -3.33 3.04 -0.77 -0.97 116.25 117.15 3gxr h VAL 164 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3gxr h VAL 164 Cb 1.35 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3gxr h VAL 164 CO 0.21 0.04 0.00 0.47 -1.01 0.00 0.00 177.57 177.28 3gxr n ASP 165 N -5.16 2.74 0.20 3.17 8.00 -1.26 -4.59 116.55 119.66 3gxr n ASP 165 Ca 0.28 -1.88 0.05 0.00 0.71 0.00 0.00 54.79 53.95 3gxr n ASP 165 Cb 0.87 -0.13 0.52 0.00 -0.02 0.00 0.00 41.12 42.36 3gxr n ASP 165 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3gxr h SER 166 N 3.81 0.07 -0.58 -2.24 4.64 -1.46 -2.06 113.55 115.72 3gxr h SER 166 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gxr h SER 166 Cb 0.83 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3gxr h SER 166 CO 0.00 0.18 0.00 0.54 -0.87 0.00 0.00 176.83 176.68 3gxr n ARG 167 N -4.38 3.93 -3.55 4.77 1.74 -1.26 -4.82 116.66 113.08 3gxr n ARG 167 Ca -0.02 -2.92 -0.21 0.00 -0.77 0.00 0.00 57.85 53.93 3gxr n ARG 167 Cb 0.20 -1.96 -0.01 0.00 -1.02 0.00 0.00 32.46 29.67 3gxr n ARG 167 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gxr s THR 168 N -2.13 4.55 0.18 0.55 -4.23 -0.77 -4.81 115.64 108.98 3gxr s THR 168 Ca 0.50 -0.87 -0.32 0.00 -1.18 0.00 0.00 61.69 59.83 3gxr s THR 168 Cb 0.34 -3.61 -0.11 0.00 1.34 0.00 0.00 72.50 70.46 3gxr s THR 168 CO 0.21 -0.28 1.77 -0.89 -0.54 0.00 0.00 174.62 174.88 3gxr s THR 169 N -2.18 2.17 0.00 3.99 2.01 -1.26 -1.30 115.64 119.07 3gxr s THR 169 Ca 0.41 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.43 3gxr s THR 169 Cb -0.09 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.41 3gxr s THR 169 CO 0.32 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 3gxr n GLY 170 N 4.07 1.00 2.94 4.40 0.00 -1.26 -3.61 105.19 112.73 3gxr n GLY 170 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3gxr n GLY 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gxr n LYS 171 N -2.00 -3.26 -0.67 1.61 4.76 -0.42 -4.63 118.16 113.55 3gxr n LYS 171 Ca 0.00 0.64 -0.02 0.00 -2.87 0.00 0.00 58.31 56.06 3gxr n LYS 171 Cb 0.00 -5.34 -0.02 0.00 -1.84 0.00 0.00 35.03 27.83 3gxr n LYS 171 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3gxr n ASP 172 N -2.17 -0.22 0.30 4.39 5.75 -1.24 -4.74 116.55 118.62 3gxr n ASP 172 Ca -0.09 -1.39 -0.16 0.00 -0.01 0.00 0.00 54.79 53.14 3gxr n ASP 172 Cb 0.59 0.05 -0.08 0.00 -1.03 0.00 0.00 41.12 40.64 3gxr n ASP 172 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3gxr h TYR 173 N 0.04 -0.68 -0.25 2.11 3.20 -1.83 0.18 116.97 119.75 3gxr h TYR 173 Ca -0.16 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.57 3gxr h TYR 173 Cb 1.18 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 3gxr h TYR 173 CO -0.21 -0.39 -0.39 0.66 -1.64 0.00 0.00 178.16 176.19 3gxr h SER 174 N -0.81 0.60 -0.19 -2.11 4.64 -1.87 -0.23 113.55 113.58 3gxr h SER 174 Ca -0.07 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3gxr h SER 174 Cb 0.59 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3gxr h SER 174 CO 0.12 0.93 0.10 0.78 -0.87 0.00 0.00 176.83 177.89 3gxr h ASN 175 N 0.47 0.24 0.15 4.97 2.35 -1.81 0.55 115.58 122.51 3gxr h ASN 175 Ca 0.04 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3gxr h ASN 175 Cb 0.89 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.20 3gxr h ASN 175 CO 0.08 0.28 -0.07 -0.78 -1.65 0.00 0.00 177.43 175.29 3gxr h ASP 176 N 0.18 -0.17 -0.87 5.81 3.58 -0.49 -2.00 116.42 122.47 3gxr h ASP 176 Ca 0.07 -0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.41 3gxr h ASP 176 Cb 0.10 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 3gxr h ASP 176 CO -0.01 0.01 0.57 0.58 -2.88 0.00 0.00 179.24 177.52 3gxr h VAL 177 N -0.34 1.23 -0.75 2.25 2.07 -0.95 0.21 116.25 119.97 3gxr h VAL 177 Ca -0.02 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3gxr h VAL 177 Cb 0.27 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 3gxr h VAL 177 CO 0.03 0.22 0.40 0.58 0.02 0.00 0.00 177.57 178.82 3gxr h VAL 178 N 1.18 1.23 0.07 2.57 2.07 -0.83 0.05 116.25 122.59 3gxr h VAL 178 Ca 0.32 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3gxr h VAL 178 Cb -0.13 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3gxr h VAL 178 CO -0.07 0.26 -0.03 0.00 0.02 0.00 0.00 177.57 177.75 3gxr h ALA 179 N 1.20 -0.09 -0.81 1.67 0.00 -0.50 -0.28 119.26 120.46 3gxr h ALA 179 Ca 0.26 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3gxr h ALA 179 Cb 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3gxr h ALA 179 CO -0.04 -0.50 0.53 0.00 0.00 0.00 0.00 179.25 179.24 3gxr h ARG 180 N -0.18 1.03 -0.81 0.00 3.08 -0.70 -1.74 114.38 115.06 3gxr h ARG 180 Ca -0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3gxr h ARG 180 Cb 0.15 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 3gxr h ARG 180 CO 0.01 0.68 0.49 0.00 -1.07 0.00 0.00 179.97 180.08 3gxr h ALA 181 N 1.31 1.03 -0.83 0.04 0.00 -0.64 -0.92 119.26 119.25 3gxr h ALA 181 Ca 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3gxr h ALA 181 Cb -0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.34 3gxr h ALA 181 CO -0.08 0.50 0.46 1.96 0.00 0.00 0.00 179.25 182.09 3gxr h GLN 182 N 1.11 1.15 -0.16 0.00 4.20 -0.81 0.18 115.11 120.78 3gxr h GLN 182 Ca 0.29 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3gxr h GLN 182 Cb -0.04 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 3gxr h GLN 182 CO -0.05 0.84 0.03 2.35 -0.67 0.00 0.00 178.83 181.32 3gxr h TRP 183 N 1.16 0.28 -0.63 2.96 7.01 -0.90 -3.02 115.95 122.81 3gxr h TRP 183 Ca 0.29 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.23 3gxr h TRP 183 Cb 0.02 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 3gxr h TRP 183 CO 0.01 0.43 0.27 1.88 -2.79 0.00 0.00 178.44 178.23 3gxr h TYR 184 N 0.06 0.90 -0.64 2.65 0.05 -0.67 -2.50 116.97 116.82 3gxr h TYR 184 Ca 0.05 -0.04 0.10 0.00 0.05 0.00 0.00 58.73 58.89 3gxr h TYR 184 Cb 0.30 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.72 3gxr h TYR 184 CO 0.02 0.68 0.42 -0.22 -1.05 0.00 0.00 178.16 178.01 3gxr h LYS 185 N 0.89 0.44 -0.63 4.88 1.63 -0.58 0.14 116.57 123.34 3gxr h LYS 185 Ca 0.21 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3gxr h LYS 185 Cb 0.14 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3gxr h LYS 185 CO -0.02 0.29 0.00 0.36 -3.45 0.00 0.00 179.45 176.63 3gxr n LYS 186 N -4.47 3.23 -2.70 1.90 2.85 -0.96 -4.31 118.16 113.69 3gxr n LYS 186 Ca 0.11 -2.25 -0.00 0.00 -1.05 0.00 0.00 58.31 55.12 3gxr n LYS 186 Cb 0.37 -1.79 0.06 0.00 -0.65 0.00 0.00 35.03 33.02 3gxr n LYS 186 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gxr n ASN 187 N 0.79 1.14 0.00 -5.58 3.02 0.39 -4.98 115.26 110.04 3gxr n ASN 187 Ca 0.20 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 3gxr n ASN 187 Cb 0.75 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 3gxr n ASN 187 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gxr n GLY 188 N -0.63 1.14 0.00 7.41 0.00 -1.03 -4.91 105.19 107.17 3gxr n GLY 188 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3gxr n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01