#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxr n GLY 6 N 0.00 0.97 3.14 2.72 0.00 -1.26 -4.61 105.19 106.15 3gxr n GLY 6 Ca 0.00 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.04 4.28 0.39 1.61 -1.08 -1.26 -4.98 116.67 114.59 3gxr s ASP 7 Ca 0.00 -1.09 0.06 0.00 -0.52 0.00 0.00 52.55 51.00 3gxr s ASP 7 Cb 0.00 -1.61 0.79 0.00 -1.46 0.00 0.00 42.92 40.65 3gxr s ASP 7 CO 0.00 -0.15 2.03 -0.29 0.52 0.00 0.00 175.17 177.28 3gxr h ILE 8 N 6.38 1.12 0.00 4.11 6.09 -1.98 -0.33 117.51 132.91 3gxr h ILE 8 Ca -0.28 -0.27 -0.02 0.00 -1.37 0.00 0.00 64.86 62.93 3gxr h ILE 8 Cb 1.08 0.49 -0.00 0.00 0.47 0.00 0.00 36.82 38.86 3gxr h ILE 8 CO 0.54 0.13 -0.08 0.71 -3.07 0.00 0.00 178.15 176.37 3gxr h THR 9 N 0.61 0.55 -0.04 2.19 1.35 -1.96 -2.45 112.91 113.16 3gxr h THR 9 Ca 0.16 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3gxr h THR 9 Cb -0.03 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3gxr h THR 9 CO -0.03 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.32 3gxr n GLN 10 N -3.70 2.02 -2.50 4.72 1.13 -0.14 -4.93 117.38 113.97 3gxr n GLN 10 Ca -0.02 -1.49 -0.41 0.00 -1.94 0.00 0.00 57.00 53.14 3gxr n GLN 10 Cb 0.19 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 3gxr n GLN 10 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gxr s VAL 11 N -1.98 3.81 0.41 5.09 1.01 -0.93 -4.99 120.40 122.83 3gxr s VAL 11 Ca 0.33 1.59 -0.18 0.00 0.00 0.00 0.00 61.98 63.72 3gxr s VAL 11 Cb 0.20 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 3gxr s VAL 11 CO 0.31 0.28 0.88 -1.61 0.00 0.00 0.00 175.10 174.97 3gxr s GLU 12 N -0.48 4.09 -0.11 2.72 2.02 -1.26 -5.05 118.70 120.63 3gxr s GLU 12 Ca 0.49 0.92 -0.16 0.00 0.02 0.00 0.00 54.97 56.24 3gxr s GLU 12 Cb -0.30 -2.26 0.04 0.00 0.10 0.00 0.00 34.13 31.71 3gxr s GLU 12 CO 0.36 -0.01 0.41 -0.08 0.02 0.00 0.00 175.26 175.95 3gxr s THR 13 N -2.20 0.02 -2.09 3.63 -1.32 -1.26 -4.95 115.64 107.46 3gxr s THR 13 Ca 0.59 -0.13 0.21 0.00 -1.21 0.00 0.00 61.69 61.14 3gxr s THR 13 Cb -0.10 -0.63 0.55 0.00 -1.51 0.00 0.00 72.50 70.81 3gxr s THR 13 CO 0.18 -0.07 1.47 -1.54 -2.21 0.00 0.00 174.62 172.45 3gxr n SER 14 N 2.26 3.41 0.00 8.08 3.41 -1.26 -4.89 113.62 124.62 3gxr n SER 14 Ca -0.16 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 3gxr n SER 14 Cb 0.57 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 1.52 0.95 3.80 5.00 0.00 -1.23 -3.69 105.19 111.54 3gxr n GLY 15 Ca 0.21 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.97 3.18 0.99 4.61 0.00 -1.03 -3.45 121.76 124.10 3gxr s ALA 16 Ca 0.00 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.22 3gxr s ALA 16 Cb 0.00 -3.10 0.18 0.00 0.00 0.00 0.00 23.12 20.21 3gxr s ALA 16 CO 0.00 0.19 1.14 -1.54 0.00 0.00 0.00 175.76 175.55 3gxr s SER 17 N -1.86 2.77 0.21 0.00 1.04 -1.26 -0.16 113.70 114.43 3gxr s SER 17 Ca 0.54 0.87 -0.05 0.00 0.48 0.00 0.00 55.95 57.78 3gxr s SER 17 Cb -0.14 -1.34 0.16 0.00 0.10 0.00 0.00 66.02 64.80 3gxr s SER 17 CO 0.19 -3.01 1.61 0.28 0.98 0.00 0.00 173.24 173.29 3gxr h SER 18 N -1.81 0.79 -0.25 7.02 0.02 -1.95 -1.98 113.55 115.40 3gxr h SER 18 Ca -0.50 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.18 3gxr h SER 18 Cb 1.32 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 3gxr h SER 18 CO 0.53 1.01 0.05 0.50 -1.14 0.00 0.00 176.83 177.78 3gxr h LYS 19 N 0.67 0.14 -0.62 3.45 3.64 -1.93 0.12 116.57 122.04 3gxr h LYS 19 Ca 0.09 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3gxr h LYS 19 Cb 0.78 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 3gxr h LYS 19 CO 0.06 0.09 0.30 1.15 -2.27 0.00 0.00 179.45 178.79 3gxr h THR 20 N 0.14 1.22 -0.59 1.00 2.02 -1.86 -2.96 112.91 111.87 3gxr h THR 20 Ca 0.11 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 3gxr h THR 20 Cb 0.11 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3gxr h THR 20 CO -0.15 0.25 0.14 0.28 0.37 0.00 0.00 175.52 176.41 3gxr h SER 21 N 0.86 0.87 -0.86 4.18 0.02 -0.61 -2.54 113.55 115.47 3gxr h SER 21 Ca 0.21 -0.17 0.18 0.00 -0.84 0.00 0.00 61.79 61.17 3gxr h SER 21 Cb 0.12 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 3gxr h SER 21 CO -0.03 0.85 0.57 -0.09 -1.14 0.00 0.00 176.83 176.99 3gxr h ARG 22 N 0.89 0.45 0.00 3.45 2.43 -0.61 -2.60 114.38 118.39 3gxr h ARG 22 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3gxr h ARG 22 Cb 0.32 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3gxr h ARG 22 CO 0.00 0.30 0.00 1.96 -1.51 0.00 0.00 179.97 180.72 3gxr h GLN 23 N 0.47 0.00 -0.72 0.20 1.08 -1.49 0.74 115.11 115.39 3gxr h GLN 23 Ca 0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 3gxr h GLN 23 Cb 0.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 3gxr h GLN 23 CO -0.17 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.46 3gxr n ASP 24 N -2.31 4.17 -2.50 1.46 9.92 -1.01 -4.95 116.55 121.33 3gxr n ASP 24 Ca 0.04 -2.11 -0.18 0.00 -0.53 0.00 0.00 54.79 52.01 3gxr n ASP 24 Cb 0.35 -0.51 0.03 0.00 -0.64 0.00 0.00 41.12 40.34 3gxr n ASP 24 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3gxr n LYS 25 N 1.53 -4.05 -3.19 -1.24 5.02 0.26 -4.98 118.16 111.50 3gxr n LYS 25 Ca 0.25 0.74 -0.38 0.00 -2.02 0.00 0.00 58.31 56.91 3gxr n LYS 25 Cb 0.69 -5.26 -0.06 0.00 -0.02 0.00 0.00 35.03 30.38 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 -5.54 4.47 0.00 -0.35 1.43 -1.05 -4.99 118.68 112.66 3gxr s LEU 26 Ca 0.25 1.35 0.21 0.00 -1.03 0.00 0.00 54.13 54.91 3gxr s LEU 26 Cb -0.11 -3.18 0.85 0.00 0.03 0.00 0.00 46.19 43.77 3gxr s LEU 26 CO 0.31 0.18 1.60 -1.84 0.23 0.00 0.00 176.35 176.83 3gxr n GLU 27 N 1.34 1.60 -4.16 1.70 0.28 -1.26 -4.46 120.64 115.68 3gxr n GLU 27 Ca -0.07 -0.90 -0.10 0.00 -0.16 0.00 0.00 57.16 55.93 3gxr n GLU 27 Cb 0.51 -1.39 -0.10 0.00 1.43 0.00 0.00 31.44 31.89 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 -1.84 0.88 0.00 -1.84 -0.85 -1.26 -5.16 117.35 107.28 3gxr s TYR 28 Ca 0.32 -1.17 0.00 0.00 -0.52 0.00 0.00 57.07 55.71 3gxr s TYR 28 Cb 0.17 -0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.00 3gxr s TYR 28 CO 0.26 -0.43 0.00 -0.40 -1.52 0.00 0.00 175.55 173.46 3gxr n ASP 29 N -0.09 1.91 0.00 -0.18 5.75 -1.26 -4.69 116.55 117.98 3gxr n ASP 29 Ca -0.07 -0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 3gxr n ASP 29 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 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 5.00 -0.25 0.30 6.12 0.00 0.77 -3.20 105.19 113.94 3gxr n GLY 30 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 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 1.25 -0.61 1.61 2.07 -1.85 -1.68 116.25 117.04 3gxr h VAL 31 Ca 0.00 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3gxr h VAL 31 Cb 0.00 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3gxr h VAL 31 CO 0.00 0.38 0.39 -0.09 0.02 0.00 0.00 177.57 178.27 3gxr h ARG 32 N 0.88 0.81 -0.36 1.57 2.43 -1.94 0.17 114.38 117.94 3gxr h ARG 32 Ca 0.17 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3gxr h ARG 32 Cb 0.47 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3gxr h ARG 32 CO 0.02 0.55 0.06 0.00 -1.51 0.00 0.00 179.97 179.09 3gxr h ALA 33 N 1.60 0.48 -0.24 2.80 0.00 -1.30 -0.76 119.26 121.86 3gxr h ALA 33 Ca 0.22 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3gxr h ALA 33 Cb -0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3gxr h ALA 33 CO -0.05 0.18 -0.06 0.77 0.00 0.00 0.00 179.25 180.10 3gxr h SER 34 N 0.44 -0.22 -0.55 0.00 0.02 -0.84 0.89 113.55 113.29 3gxr h SER 34 Ca 0.11 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.23 3gxr h SER 34 Cb 0.35 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.96 3gxr h SER 34 CO 0.01 -0.08 0.11 0.45 -1.14 0.00 0.00 176.83 176.18 3gxr h HIS 35 N -0.00 0.18 -0.31 3.45 -0.00 -0.73 0.31 115.15 118.05 3gxr h HIS 35 Ca 0.11 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.48 3gxr h HIS 35 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 3gxr h HIS 35 CO -0.24 -0.02 0.04 1.15 -0.00 0.00 0.00 177.93 178.86 3gxr h THR 36 N 0.25 1.24 -0.49 2.45 2.02 -0.63 0.15 112.91 117.89 3gxr h THR 36 Ca 0.28 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 3gxr h THR 36 Cb 0.40 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3gxr h THR 36 CO -0.36 0.27 0.08 0.24 0.37 0.00 0.00 175.52 176.11 3gxr h MET 37 N 0.33 0.77 -0.25 6.66 2.86 -0.60 0.13 114.93 124.84 3gxr h MET 37 Ca 0.09 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3gxr h MET 37 Cb 0.36 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3gxr h MET 37 CO 0.01 0.73 0.06 0.00 1.06 0.00 0.00 176.91 178.76 3gxr h ALA 38 N 1.35 0.33 -0.86 6.32 0.00 -0.71 -2.26 119.26 123.43 3gxr h ALA 38 Ca 0.16 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3gxr h ALA 38 Cb 0.34 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3gxr h ALA 38 CO 0.01 -0.01 0.54 0.37 0.00 0.00 0.00 179.25 180.16 3gxr h GLN 39 N 0.23 0.96 -0.99 0.00 4.15 -0.21 -1.61 115.11 117.65 3gxr h GLN 39 Ca 0.08 -0.06 0.10 0.00 0.77 0.00 0.00 58.65 59.54 3gxr h GLN 39 Cb 0.29 -0.22 -0.08 0.00 0.21 0.00 0.00 27.48 27.69 3gxr h GLN 39 CO 0.00 0.64 0.63 1.15 -1.93 0.00 0.00 178.83 179.32 3gxr h THR 40 N 0.99 0.98 -0.16 2.39 2.02 -0.47 -1.81 112.91 116.85 3gxr h THR 40 Ca 0.37 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3gxr h THR 40 Cb 0.15 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3gxr h THR 40 CO -0.17 0.19 0.00 0.47 0.37 0.00 0.00 175.52 176.38 3gxr n ASP 41 N -4.57 1.88 0.08 4.18 8.00 -0.66 -4.29 116.55 121.18 3gxr n ASP 41 Ca 0.17 -1.72 -0.07 0.00 0.71 0.00 0.00 54.79 53.88 3gxr n ASP 41 Cb 0.30 -0.10 0.04 0.00 -0.02 0.00 0.00 41.12 41.34 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 4.17 0.65 -0.16 2.24 0.00 -0.78 -0.95 119.26 124.44 3gxr h ALA 42 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3gxr h ALA 42 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3gxr h ALA 42 CO 0.00 0.83 0.03 0.78 0.00 0.00 0.00 179.25 180.89 3gxr h GLY 43 N 1.67 0.28 1.57 0.00 0.00 -1.76 -2.55 103.07 102.29 3gxr h GLY 43 Ca -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3gxr h GLY 43 CO 0.12 0.17 -0.01 3.21 0.00 0.00 0.00 176.54 180.03 3gxr h ARG 44 N 0.05 0.53 -0.02 4.80 3.08 -1.80 -2.64 114.38 118.38 3gxr h ARG 44 Ca 0.05 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3gxr h ARG 44 Cb 0.30 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3gxr h ARG 44 CO 0.00 0.56 -0.04 1.98 -1.07 0.00 0.00 179.97 181.41 3gxr h MET 45 N 0.51 0.02 -0.95 0.04 4.05 -0.77 -2.61 114.93 115.22 3gxr h MET 45 Ca 0.11 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.59 3gxr h MET 45 Cb 0.34 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.08 3gxr h MET 45 CO 0.01 0.06 0.61 1.49 0.23 0.00 0.00 176.91 179.32 3gxr h GLU 46 N 0.02 1.08 -1.04 0.39 4.22 -1.16 -1.99 114.58 116.10 3gxr h GLU 46 Ca 0.01 -0.06 0.28 0.00 0.08 0.00 0.00 59.36 59.66 3gxr h GLU 46 Cb 0.08 -0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.02 3gxr h GLU 46 CO 0.01 0.71 0.70 -0.22 -2.18 0.00 0.00 179.01 178.03 3gxr h LYS 47 N 1.11 0.23 -0.62 1.92 3.64 -1.63 -2.21 116.57 119.00 3gxr h LYS 47 Ca 0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 3gxr h LYS 47 Cb 0.16 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3gxr h LYS 47 CO -0.15 0.15 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 3gxr n TYR 48 N -4.45 0.86 -0.10 1.91 4.01 -0.75 -4.67 117.16 113.98 3gxr n TYR 48 Ca 0.24 -0.51 -0.06 0.00 -0.16 0.00 0.00 57.90 57.41 3gxr n TYR 48 Cb 0.96 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.97 3gxr n TYR 48 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3gxr h LYS 49 N 3.64 -0.01 -0.40 -0.72 1.57 -1.40 0.15 116.57 119.40 3gxr h LYS 49 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3gxr h LYS 49 Cb 0.95 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 3gxr h LYS 49 CO 0.01 -0.01 0.18 0.66 -0.57 0.00 0.00 179.45 179.73 3gxr h SER 50 N -0.01 0.25 -0.40 0.86 4.64 -1.83 -0.16 113.55 116.90 3gxr h SER 50 Ca 0.17 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 3gxr h SER 50 Cb 0.26 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3gxr h SER 50 CO -0.36 0.18 0.13 -0.26 -0.87 0.00 0.00 176.83 175.65 3gxr h PHE 51 N 0.37 0.64 -0.45 4.77 0.04 -1.76 -0.40 116.94 120.15 3gxr h PHE 51 Ca 0.17 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.81 3gxr h PHE 51 Cb 0.10 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3gxr h PHE 51 CO -0.11 0.59 0.02 0.82 -0.60 0.00 0.00 178.31 179.03 3gxr h ILE 52 N 0.50 1.26 -0.21 -0.55 2.04 -0.48 -1.30 117.51 118.77 3gxr h ILE 52 Ca 0.13 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3gxr h ILE 52 Cb 0.25 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3gxr h ILE 52 CO -0.00 0.35 0.13 0.78 0.00 0.00 0.00 178.15 179.41 3gxr h ASN 53 N 0.64 0.25 -0.44 1.72 -0.26 -0.82 -0.57 115.58 116.09 3gxr h ASN 53 Ca 0.13 -0.04 0.05 0.00 -0.56 0.00 0.00 56.30 55.88 3gxr h ASN 53 Cb 0.47 -0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.62 3gxr h ASN 53 CO 0.02 0.22 0.20 0.78 -1.06 0.00 0.00 177.43 177.58 3gxr h ASN 54 N 0.26 0.26 -0.36 5.81 2.35 -0.85 -1.63 115.58 121.41 3gxr h ASN 54 Ca 0.08 0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.69 3gxr h ASN 54 Cb 0.01 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gxr h ASN 54 CO -0.01 0.18 -0.43 0.58 -1.65 0.00 0.00 177.43 176.10 3gxr h VAL 55 N 0.39 1.27 -0.88 2.81 2.07 -1.13 -1.84 116.25 118.94 3gxr h VAL 55 Ca 0.20 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3gxr h VAL 55 Cb 0.15 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3gxr h VAL 55 CO -0.17 0.54 0.53 0.00 0.02 0.00 0.00 177.57 178.49 3gxr h ALA 56 N 0.75 1.29 -0.60 1.67 0.00 -1.02 -0.79 119.26 120.55 3gxr h ALA 56 Ca 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3gxr h ALA 56 Cb 1.03 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3gxr h ALA 56 CO 0.10 0.62 0.11 -0.22 0.00 0.00 0.00 179.25 179.86 3gxr h LYS 57 N 1.21 0.96 -0.16 0.00 3.64 -0.92 0.23 116.57 121.53 3gxr h LYS 57 Ca 0.32 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 3gxr h LYS 57 Cb -0.06 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3gxr h LYS 57 CO -0.06 0.87 -0.29 -0.22 -2.27 0.00 0.00 179.45 177.48 3gxr h LYS 58 N 0.91 0.48 -0.00 1.90 3.64 -0.66 -3.21 116.57 119.62 3gxr h LYS 58 Ca 0.19 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3gxr h LYS 58 Cb 0.37 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3gxr h LYS 58 CO 0.01 0.90 -0.56 0.72 -2.27 0.00 0.00 179.45 178.25 3gxr n HIS 59 N -4.39 0.00 -3.47 1.91 8.25 -0.37 -4.98 115.22 112.18 3gxr n HIS 59 Ca -0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.22 3gxr n HIS 59 Cb 0.47 -0.19 0.08 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.39 -6.07 -5.05 1.59 0.31 0.77 -5.01 118.33 103.47 3gxr n VAL 60 Ca 0.06 -0.61 -0.28 0.00 -0.01 0.00 0.00 64.34 63.50 3gxr n VAL 60 Cb 0.34 -4.93 -0.16 0.00 -0.91 0.00 0.00 33.84 28.18 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 -3.43 1.69 0.24 2.52 1.01 -0.92 -4.55 120.40 116.96 3gxr s VAL 61 Ca 0.06 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 3gxr s VAL 61 Cb -0.01 -1.41 -0.12 0.00 0.00 0.00 0.00 36.38 34.85 3gxr s VAL 61 CO 0.75 0.48 1.67 -0.62 0.00 0.00 0.00 175.10 177.38 3gxr s ASP 62 N -0.45 6.38 0.63 3.32 -1.08 -1.26 -4.50 116.67 119.70 3gxr s ASP 62 Ca 0.07 2.89 0.36 0.00 -0.52 0.00 0.00 52.55 55.35 3gxr s ASP 62 Cb -0.09 -2.61 2.10 0.00 -1.46 0.00 0.00 42.92 40.86 3gxr s ASP 62 CO -0.00 -0.95 2.31 1.55 0.52 0.00 0.00 175.17 178.60 3gxr h PRO 63 N 6.09 0.00 -0.06 4.34 0.13 -1.92 -0.75 132.00 139.83 3gxr h PRO 63 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 3gxr h PRO 63 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3gxr h PRO 63 CO 0.90 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 178.34 3gxr h ALA 64 N 2.00 1.35 -0.15 -0.56 0.00 -1.89 0.38 119.26 120.39 3gxr h ALA 64 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 3gxr h ALA 64 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gxr h ALA 64 CO -0.00 0.46 -0.39 0.28 0.00 0.00 0.00 179.25 179.60 3gxr h VAL 65 N 0.10 1.35 -0.14 0.00 2.07 -1.43 -0.95 116.25 117.24 3gxr h VAL 65 Ca 0.01 -1.66 0.02 0.00 0.82 0.00 0.00 66.70 65.89 3gxr h VAL 65 Cb 0.63 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 3gxr h VAL 65 CO 0.05 0.50 0.03 0.40 0.02 0.00 0.00 177.57 178.57 3gxr h ILE 66 N 0.17 0.94 -0.67 4.57 2.04 -1.38 -1.99 117.51 121.20 3gxr h ILE 66 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3gxr h ILE 66 Cb 1.00 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3gxr h ILE 66 CO 0.09 0.02 0.43 0.00 0.00 0.00 0.00 178.15 178.68 3gxr h ALA 67 N 1.10 0.85 -0.90 1.87 0.00 -0.90 -0.47 119.26 120.82 3gxr h ALA 67 Ca 0.06 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gxr h ALA 67 Cb 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3gxr h ALA 67 CO -0.08 0.30 0.59 0.00 0.00 0.00 0.00 179.25 180.05 3gxr h ALA 68 N 1.23 1.17 -0.45 0.00 0.00 -0.93 -0.10 119.26 120.19 3gxr h ALA 68 Ca 0.24 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3gxr h ALA 68 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 3gxr h ALA 68 CO -0.05 0.48 -0.05 0.82 0.00 0.00 0.00 179.25 180.45 3gxr h ILE 69 N 1.17 1.27 -0.97 0.00 2.04 -1.00 -0.06 117.51 119.95 3gxr h ILE 69 Ca 0.35 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 65.12 3gxr h ILE 69 Cb -0.05 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3gxr h ILE 69 CO -0.10 0.39 0.63 0.40 0.00 0.00 0.00 178.15 179.47 3gxr h ILE 70 N 0.66 1.14 -0.01 -0.67 2.04 -0.38 0.25 117.51 120.54 3gxr h ILE 70 Ca 0.12 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3gxr h ILE 70 Cb 0.57 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3gxr h ILE 70 CO 0.03 0.22 -0.00 -1.28 0.00 0.00 0.00 178.15 177.12 3gxr h SER 71 N 1.20 0.02 -0.47 1.72 0.87 -0.82 -2.04 113.55 114.04 3gxr h SER 71 Ca 0.40 -0.40 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3gxr h SER 71 Cb 0.06 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3gxr h SER 71 CO -0.14 0.41 -0.04 -0.09 -0.53 0.00 0.00 176.83 176.44 3gxr h ARG 72 N -0.37 0.85 -0.20 2.24 9.65 -0.78 -0.69 114.38 125.08 3gxr h ARG 72 Ca 0.00 -0.29 -0.19 0.00 -1.10 0.00 0.00 59.98 58.41 3gxr h ARG 72 Cb 0.40 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.92 3gxr h ARG 72 CO 0.00 0.92 -0.61 0.93 2.80 0.00 0.00 179.97 184.01 3gxr h GLU 73 N 0.70 0.76 0.00 0.20 4.39 -0.46 -3.39 114.58 116.77 3gxr h GLU 73 Ca 0.13 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3gxr h GLU 73 Cb 0.56 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3gxr h GLU 73 CO 0.03 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.92 3gxr n SER 74 N -4.05 0.00 -3.58 1.42 3.41 -0.82 -4.87 113.62 105.13 3gxr n SER 74 Ca -0.06 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.33 3gxr n SER 74 Cb 0.66 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.68 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 -6.75 -4.08 4.33 5.12 -0.27 -1.61 116.66 113.41 3gxr n ARG 75 Ca 0.00 0.78 -0.29 0.00 -1.93 0.00 0.00 57.85 56.42 3gxr n ARG 75 Cb 0.49 -5.74 -0.04 0.00 -1.16 0.00 0.00 32.46 26.02 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 -4.53 -1.87 0.00 7.54 0.00 -0.91 -2.15 120.51 118.59 3gxr n ALA 76 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3gxr n ALA 76 Cb 0.62 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.99 2.37 0.38 0.00 0.00 -0.63 -4.79 105.19 100.52 3gxr n GLY 77 Ca -0.24 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 0.60 -0.47 1.61 -1.24 -1.01 -1.67 115.58 113.40 3gxr h ASN 78 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3gxr h ASN 78 Cb 0.00 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.00 3gxr h ASN 78 CO 0.00 0.23 0.00 1.33 -1.29 0.00 0.00 177.43 177.70 3gxr n VAL 79 N -4.62 0.67 -0.37 2.57 0.24 -1.15 -4.49 118.33 111.18 3gxr n VAL 79 Ca 0.21 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 3gxr n VAL 79 Cb 0.62 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 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 1.41 0.00 0.33 1.34 -5.35 -0.93 -4.78 119.36 111.38 3gxr n ILE 80 Ca 0.19 -0.21 0.15 0.00 -0.27 0.00 0.00 62.75 62.61 3gxr n ILE 80 Cb 0.58 1.37 0.63 0.00 -1.74 0.00 0.00 39.64 40.47 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 0.00 0.00 0.00 4.28 -5.15 -1.55 0.25 116.94 114.77 3gxr h PHE 81 Ca 0.00 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.75 3gxr h PHE 81 Cb 0.18 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.30 3gxr h PHE 81 CO 0.00 0.00 -0.37 0.27 -2.00 0.00 0.00 178.31 176.21 3gxr n ASN 82 N -2.74 1.60 -4.89 -0.68 6.94 -1.26 -4.64 115.26 109.58 3gxr n ASN 82 Ca 0.01 -3.02 -0.27 0.00 -0.02 0.00 0.00 54.58 51.27 3gxr n ASN 82 Cb 0.26 -0.41 0.08 0.00 -2.36 0.00 0.00 39.78 37.36 3gxr n ASN 82 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3gxr s THR 83 N -2.15 2.14 -0.12 5.53 -4.23 -1.23 -4.94 115.64 110.64 3gxr s THR 83 Ca 0.29 -0.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 3gxr s THR 83 Cb 0.27 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 71.12 3gxr s THR 83 CO -0.03 0.00 -0.22 0.42 -0.54 0.00 0.00 174.62 174.25 3gxr s THR 84 N -3.41 1.99 0.99 3.99 -4.23 -1.26 -1.40 115.64 112.31 3gxr s THR 84 Ca 0.61 -0.96 -0.16 0.00 -1.18 0.00 0.00 61.69 60.00 3gxr s THR 84 Cb -0.11 -1.75 0.21 0.00 1.34 0.00 0.00 72.50 72.20 3gxr s THR 84 CO 0.47 0.54 1.30 -2.16 -0.54 0.00 0.00 174.62 174.23 3gxr s PRO 85 N 0.59 0.43 0.46 3.99 0.04 -1.26 -5.04 135.00 134.21 3gxr s PRO 85 Ca -0.13 -0.37 -0.24 0.00 0.04 0.00 0.00 61.00 60.31 3gxr s PRO 85 Cb -0.17 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 3gxr s PRO 85 CO 0.04 -2.57 1.12 -2.30 0.04 0.00 0.00 177.00 173.34 3gxr n PRO 86 N -3.88 1.52 0.00 0.56 -0.02 -0.49 -4.13 135.00 128.56 3gxr n PRO 86 Ca 0.15 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3gxr n PRO 86 Cb 0.59 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3gxr n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gxr n GLY 87 N 1.03 1.05 3.88 -1.23 0.00 0.87 -4.83 105.19 105.96 3gxr n GLY 87 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.46 0.12 1.61 0.52 -1.26 0.54 118.94 121.94 3gxr s TRP 88 Ca 0.00 0.26 -0.01 0.00 0.02 0.00 0.00 56.10 56.37 3gxr s TRP 88 Cb 0.00 -1.77 0.01 0.00 -1.15 0.00 0.00 33.47 30.56 3gxr s TRP 88 CO 0.00 0.60 0.18 0.41 0.02 0.00 0.00 176.95 178.16 3gxr n GLY 89 N 0.68 2.60 4.20 0.98 0.00 0.20 -4.77 105.19 109.08 3gxr n GLY 89 Ca -0.09 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.83 -1.58 -0.16 1.61 2.03 -1.26 -0.42 116.55 114.95 3gxr n ASP 90 Ca -0.00 -1.08 0.00 0.00 0.52 0.00 0.00 54.79 54.22 3gxr n ASP 90 Cb 0.20 -2.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.08 3gxr n ASP 90 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3gxr n ASN 91 N -2.77 0.00 -3.44 1.67 2.04 -1.26 -1.86 115.26 109.64 3gxr n ASN 91 Ca -0.10 0.00 -0.36 0.00 -0.44 0.00 0.00 54.58 53.69 3gxr n ASN 91 Cb 0.58 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.82 3gxr n ASN 91 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 3gxr n TYR 92 N 0.47 3.19 -0.04 -2.53 4.02 -1.26 -4.96 117.16 116.04 3gxr n TYR 92 Ca 0.00 -3.14 0.01 0.00 -0.01 0.00 0.00 57.90 54.76 3gxr n TYR 92 Cb 0.00 -0.93 -0.14 0.00 -0.02 0.00 0.00 39.34 38.25 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 0.11 0.73 -4.68 7.72 4.13 -0.77 -4.89 115.26 117.61 3gxr n ASN 93 Ca 0.38 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.27 3gxr n ASN 93 Cb 0.32 1.43 -0.09 0.00 -1.54 0.00 0.00 39.78 39.91 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 -4.60 2.04 -0.11 7.41 0.00 0.44 -0.62 107.32 111.89 3gxr s GLY 94 Ca -0.08 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 43.94 3gxr s GLY 94 CO 0.75 0.49 -0.17 -0.12 0.00 0.00 0.00 173.10 174.05 3gxr s PHE 95 N 1.01 2.70 0.00 1.90 5.36 0.08 0.62 117.98 129.66 3gxr s PHE 95 Ca 0.12 -0.75 0.00 0.00 -0.96 0.00 0.00 56.93 55.34 3gxr s PHE 95 Cb -0.14 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.77 3gxr s PHE 95 CO 0.05 -0.25 0.00 0.41 -1.46 0.00 0.00 175.22 173.96 3gxr n GLY 96 N 3.41 -0.22 0.29 13.12 0.00 0.19 -1.05 105.19 120.93 3gxr n GLY 96 Ca -0.18 -1.87 0.08 0.00 0.00 0.00 0.00 46.02 44.05 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 0.29 -2.27 0.99 3.38 -1.53 -1.51 115.31 114.67 3gxr h LEU 97 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gxr h LEU 97 Cb 0.00 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3gxr h LEU 97 CO 0.00 0.07 0.00 0.23 0.09 0.00 0.00 178.44 178.83 3gxr n MET 98 N -5.02 2.47 -3.51 1.13 2.81 -1.26 -3.59 117.12 110.15 3gxr n MET 98 Ca 0.17 -2.23 -0.21 0.00 -1.81 0.00 0.00 57.70 53.61 3gxr n MET 98 Cb 0.49 -1.51 0.06 0.00 -0.71 0.00 0.00 33.22 31.54 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 1.40 -3.38 -1.75 0.03 1.13 -0.57 -4.92 117.38 109.31 3gxr n GLN 99 Ca 0.20 0.70 -0.42 0.00 -1.94 0.00 0.00 57.00 55.54 3gxr n GLN 99 Cb 0.58 -5.24 -0.03 0.00 0.11 0.00 0.00 30.24 25.65 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 -3.49 2.28 -0.41 5.09 1.01 -0.22 -4.46 120.40 120.20 3gxr s VAL 100 Ca 0.27 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.07 3gxr s VAL 100 Cb -0.06 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.29 3gxr s VAL 100 CO 0.79 0.00 0.95 -0.62 0.00 0.00 0.00 175.10 176.23 3gxr s ASP 101 N 1.71 6.61 0.57 3.32 -1.08 -1.26 -0.74 116.67 125.81 3gxr s ASP 101 Ca 0.76 0.41 0.27 0.00 -0.52 0.00 0.00 52.55 53.47 3gxr s ASP 101 Cb -0.48 -2.47 1.58 0.00 -1.46 0.00 0.00 42.92 40.10 3gxr s ASP 101 CO 0.33 -0.97 2.08 0.07 0.52 0.00 0.00 175.17 177.20 3gxr h LYS 102 N 8.77 0.00 0.00 4.34 2.10 -1.01 -1.51 116.57 129.27 3gxr h LYS 102 Ca -0.23 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.38 3gxr h LYS 102 Cb 1.07 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3gxr h LYS 102 CO 1.02 0.00 -0.16 0.00 -2.00 0.00 0.00 179.45 178.30 3gxr h ARG 103 N 0.00 0.00 0.00 0.07 3.08 -1.92 -3.27 114.38 112.34 3gxr h ARG 103 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3gxr h ARG 103 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3gxr h ARG 103 CO -0.00 0.16 -1.72 0.66 -1.07 0.00 0.00 179.97 178.00 3gxr n TYR 104 N -3.97 0.00 -3.89 3.04 4.01 -0.61 -4.99 117.16 110.76 3gxr n TYR 104 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 3gxr n TYR 104 Cb 0.25 -0.40 -0.14 0.00 -0.31 0.00 0.00 39.34 38.74 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 -2.91 0.05 -0.02 -0.72 3.76 -0.97 -5.10 115.29 109.38 3gxr s HIS 105 Ca -0.06 -0.00 -0.30 0.00 -0.15 0.00 0.00 55.06 54.55 3gxr s HIS 105 Cb 0.09 -0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.68 3gxr s HIS 105 CO 0.61 -0.01 1.40 -2.00 -0.85 0.00 0.00 174.74 173.89 3gxr s GLU 106 N 0.06 4.27 -0.22 1.40 2.12 -1.26 -4.05 118.70 121.02 3gxr s GLU 106 Ca -0.00 1.94 -0.29 0.00 0.36 0.00 0.00 54.97 56.97 3gxr s GLU 106 Cb -0.01 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.77 3gxr s GLU 106 CO -0.00 -0.60 1.06 -1.25 -0.54 0.00 0.00 175.26 173.93 3gxr s PRO 107 N 2.61 4.26 0.12 4.30 0.04 -1.26 -4.98 135.00 140.09 3gxr s PRO 107 Ca 0.63 1.39 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 3gxr s PRO 107 Cb -0.30 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 3gxr s PRO 107 CO 0.25 -0.63 0.28 1.03 0.04 0.00 0.00 177.00 177.97 3gxr s ARG 108 N 3.22 3.47 0.00 4.56 0.52 -1.26 -5.01 118.95 124.45 3gxr s ARG 108 Ca 0.45 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 3gxr s ARG 108 Cb -0.16 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.35 3gxr s ARG 108 CO 0.07 0.54 0.00 0.41 0.02 0.00 0.00 175.30 176.33 3gxr n GLY 109 N -0.11 -1.89 3.72 -3.53 0.00 -1.26 -3.51 105.19 98.60 3gxr n GLY 109 Ca -0.05 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.08 1.95 0.58 4.61 0.00 -1.26 -4.85 121.76 120.72 3gxr s ALA 110 Ca 0.00 0.63 0.37 0.00 0.00 0.00 0.00 51.96 52.96 3gxr s ALA 110 Cb 0.00 -3.41 2.06 0.00 0.00 0.00 0.00 23.12 21.77 3gxr s ALA 110 CO 0.00 -2.11 2.28 0.11 0.00 0.00 0.00 175.76 176.04 3gxr h TRP 111 N -0.97 0.00 -0.19 0.00 5.08 -1.91 -2.14 115.95 115.82 3gxr h TRP 111 Ca -0.45 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.36 3gxr h TRP 111 Cb 1.27 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 27.27 3gxr h TRP 111 CO 0.51 0.01 -0.66 0.27 -1.28 0.00 0.00 178.44 177.29 3gxr n ASN 112 N -3.41 2.38 -4.90 0.11 6.94 -1.26 -1.41 115.26 113.71 3gxr n ASN 112 Ca -0.03 -3.57 -0.22 0.00 -0.02 0.00 0.00 54.58 50.74 3gxr n ASN 112 Cb 0.11 -0.46 -0.03 0.00 -2.36 0.00 0.00 39.78 37.04 3gxr n ASN 112 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3gxr s SER 113 N -3.21 5.95 0.23 0.53 1.04 -0.80 -5.01 113.70 112.42 3gxr s SER 113 Ca 0.40 -0.06 -0.07 0.00 0.48 0.00 0.00 55.95 56.69 3gxr s SER 113 Cb 0.38 -1.65 0.26 0.00 0.10 0.00 0.00 66.02 65.11 3gxr s SER 113 CO -0.05 -0.04 1.86 -0.08 0.98 0.00 0.00 173.24 175.91 3gxr h GLU 114 N 1.48 0.94 -0.38 4.02 4.81 -1.94 -2.07 114.58 121.43 3gxr h GLU 114 Ca -0.50 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 58.72 3gxr h GLU 114 Cb 1.23 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 3gxr h GLU 114 CO 0.62 0.62 0.11 1.49 -0.73 0.00 0.00 179.01 181.12 3gxr h GLU 115 N 0.97 0.25 0.36 1.92 4.81 -1.91 0.89 114.58 121.87 3gxr h GLU 115 Ca 0.33 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3gxr h GLU 115 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3gxr h GLU 115 CO -0.13 0.16 -0.25 1.25 -0.73 0.00 0.00 179.01 179.31 3gxr h HIS 116 N 0.25 -0.67 -0.89 0.92 2.76 -1.53 -1.82 115.15 114.18 3gxr h HIS 116 Ca 0.18 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.50 3gxr h HIS 116 Cb 0.18 0.25 -0.07 0.00 1.55 0.00 0.00 27.41 29.31 3gxr h HIS 116 CO -0.16 -0.38 0.57 0.82 -1.30 0.00 0.00 177.93 177.47 3gxr h ILE 117 N -0.60 0.81 0.17 6.26 2.04 -0.83 -1.44 117.51 123.91 3gxr h ILE 117 Ca -0.03 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3gxr h ILE 117 Cb 0.52 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3gxr h ILE 117 CO 0.01 0.12 -0.08 -0.78 0.00 0.00 0.00 178.15 177.41 3gxr h ASP 118 N 0.64 -0.20 -0.02 1.72 3.58 -0.65 -0.70 116.42 120.80 3gxr h ASP 118 Ca 0.45 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.82 3gxr h ASP 118 Cb 0.79 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.85 3gxr h ASP 118 CO -0.20 -0.01 -0.21 -0.61 -2.88 0.00 0.00 179.24 175.33 3gxr h GLN 119 N -0.38 -0.31 -0.48 0.28 4.15 -1.04 0.68 115.11 118.01 3gxr h GLN 119 Ca -0.02 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 3gxr h GLN 119 Cb 0.30 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 3gxr h GLN 119 CO 0.04 -0.20 -0.12 0.00 -1.93 0.00 0.00 178.83 176.61 3gxr h ALA 120 N 0.59 0.89 -0.39 3.38 0.00 -1.18 0.21 119.26 122.75 3gxr h ALA 120 Ca 0.07 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3gxr h ALA 120 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gxr h ALA 120 CO -0.21 0.64 -0.17 1.15 0.00 0.00 0.00 179.25 180.66 3gxr h THR 121 N 0.79 1.26 -0.69 0.00 2.02 -0.90 -2.12 112.91 113.27 3gxr h THR 121 Ca 0.13 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 3gxr h THR 121 Cb 0.64 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 3gxr h THR 121 CO 0.04 0.42 0.34 1.23 0.37 0.00 0.00 175.52 177.92 3gxr h GLY 122 N 0.98 1.05 0.76 2.16 0.00 -0.20 -1.50 103.07 106.32 3gxr h GLY 122 Ca 0.10 -0.49 0.05 0.00 0.00 0.00 0.00 47.33 46.99 3gxr h GLY 122 CO 0.05 0.47 0.39 -2.22 0.00 0.00 0.00 176.54 175.23 3gxr h ILE 123 N 0.98 1.02 -0.52 2.60 2.04 -0.53 -0.62 117.51 122.48 3gxr h ILE 123 Ca 0.24 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3gxr h ILE 123 Cb 0.08 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3gxr h ILE 123 CO -0.03 0.14 0.22 0.25 0.00 0.00 0.00 178.15 178.72 3gxr h LEU 124 N 0.74 0.71 -0.88 1.44 5.85 -0.85 -1.53 115.31 120.78 3gxr h LEU 124 Ca 0.29 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gxr h LEU 124 Cb 0.12 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3gxr h LEU 124 CO -0.15 0.67 0.55 0.58 -0.34 0.00 0.00 178.44 179.75 3gxr h VAL 125 N 0.69 1.24 -0.87 1.05 2.07 -0.89 -0.60 116.25 118.95 3gxr h VAL 125 Ca 0.17 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3gxr h VAL 125 Cb 0.18 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 3gxr h VAL 125 CO -0.02 0.24 0.50 -1.13 0.02 0.00 0.00 177.57 177.18 3gxr h ASN 126 N 1.21 1.07 0.42 0.57 -1.24 -0.68 -0.96 115.58 115.98 3gxr h ASN 126 Ca 0.32 -0.08 -0.08 0.00 0.71 0.00 0.00 56.30 57.16 3gxr h ASN 126 Cb -0.08 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.69 3gxr h ASN 126 CO -0.06 0.85 -0.39 -0.26 -1.29 0.00 0.00 177.43 176.28 3gxr h PHE 127 N 1.22 0.00 -0.19 0.67 0.04 -0.15 -1.14 116.94 117.39 3gxr h PHE 127 Ca 0.31 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.05 3gxr h PHE 127 Cb -0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3gxr h PHE 127 CO 0.01 0.39 0.01 0.82 -0.60 0.00 0.00 178.31 178.94 3gxr h ILE 128 N 0.00 1.25 -0.91 -0.55 2.04 -0.48 0.06 117.51 118.91 3gxr h ILE 128 Ca -0.00 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3gxr h ILE 128 Cb 0.70 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 3gxr h ILE 128 CO 0.05 0.25 0.60 1.56 0.00 0.00 0.00 178.15 180.62 3gxr h GLN 129 N 0.10 1.20 -0.29 2.37 4.20 -0.79 -0.61 115.11 121.28 3gxr h GLN 129 Ca 0.05 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 3gxr h GLN 129 Cb 0.37 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3gxr h GLN 129 CO 0.01 0.79 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.80 3gxr h LEU 130 N 1.23 0.58 -0.58 1.46 3.38 -1.00 -2.24 115.31 118.15 3gxr h LEU 130 Ca 0.34 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3gxr h LEU 130 Cb -0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3gxr h LEU 130 CO -0.07 0.83 -0.43 0.40 0.09 0.00 0.00 178.44 179.26 3gxr h ILE 131 N 0.33 1.30 -0.66 1.22 1.08 -0.70 -0.29 117.51 119.79 3gxr h ILE 131 Ca 0.07 -1.61 0.02 0.00 -0.39 0.00 0.00 64.86 62.95 3gxr h ILE 131 Cb 0.59 1.56 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 3gxr h ILE 131 CO 0.03 0.51 0.43 1.56 -0.69 0.00 0.00 178.15 180.00 3gxr h GLN 132 N 0.52 0.81 0.00 2.37 4.20 -1.07 0.93 115.11 122.88 3gxr h GLN 132 Ca 0.04 -0.05 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 3gxr h GLN 132 Cb 0.96 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3gxr h GLN 132 CO 0.09 0.53 -0.87 0.87 -0.67 0.00 0.00 178.83 178.78 3gxr h LYS 133 N 0.83 0.16 0.02 1.46 1.79 -1.07 -2.95 116.57 116.79 3gxr h LYS 133 Ca 0.25 -0.17 -0.25 0.00 -2.18 0.00 0.00 60.65 58.30 3gxr h LYS 133 Cb -0.01 0.05 0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3gxr h LYS 133 CO -0.06 0.93 -0.99 -0.22 -1.08 0.00 0.00 179.45 178.02 3gxr h LYS 134 N 0.09 0.64 -2.13 3.15 3.64 -0.56 -3.37 116.57 118.03 3gxr h LYS 134 Ca -0.04 -0.71 -0.58 0.00 -1.27 0.00 0.00 60.65 58.05 3gxr h LYS 134 Cb 1.50 0.21 -0.41 0.00 -0.41 0.00 0.00 32.23 33.12 3gxr h LYS 134 CO 0.13 1.30 -0.83 1.19 -2.27 0.00 0.00 179.45 178.97 3gxr n PHE 135 N -3.92 1.76 0.34 1.91 3.72 0.28 -4.97 117.46 116.58 3gxr n PHE 135 Ca -0.11 -3.88 0.14 0.00 -0.05 0.00 0.00 57.45 53.55 3gxr n PHE 135 Cb 0.86 -0.45 0.60 0.00 -0.94 0.00 0.00 39.48 39.55 3gxr n PHE 135 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gxr h PRO 136 N 4.14 0.00 -0.01 -1.08 0.13 -1.69 -2.45 132.00 131.04 3gxr h PRO 136 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3gxr h PRO 136 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3gxr h PRO 136 CO 0.66 0.00 -0.65 0.43 -0.23 0.00 0.00 178.00 178.21 3gxr n SER 137 N -2.56 1.51 -4.68 1.44 7.64 -1.26 -4.86 113.62 110.85 3gxr n SER 137 Ca 0.01 -1.22 -0.35 0.00 1.01 0.00 0.00 58.87 58.32 3gxr n SER 137 Cb 0.23 0.63 0.10 0.00 -1.01 0.00 0.00 64.21 64.16 3gxr n SER 137 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3gxr n TRP 138 N -0.67 1.29 -0.89 1.43 7.02 -0.92 -4.97 117.44 119.73 3gxr n TRP 138 Ca 0.07 0.41 -0.31 0.00 -1.02 0.00 0.00 57.50 56.65 3gxr n TRP 138 Cb 0.40 -2.14 0.15 0.00 -2.42 0.00 0.00 31.31 27.30 3gxr n TRP 138 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3gxr s SER 139 N -1.81 3.19 0.45 -0.99 1.04 -1.26 -4.80 113.70 109.52 3gxr s SER 139 Ca 0.76 1.94 0.24 0.00 0.48 0.00 0.00 55.95 59.37 3gxr s SER 139 Cb -0.33 -2.48 1.01 0.00 0.10 0.00 0.00 66.02 64.32 3gxr s SER 139 CO 0.48 -2.89 1.87 0.71 0.98 0.00 0.00 173.24 174.39 3gxr h THR 140 N -1.72 0.59 -0.07 2.02 1.35 -1.95 0.11 112.91 113.24 3gxr h THR 140 Ca -0.46 -1.04 -0.14 0.00 -0.55 0.00 0.00 66.41 64.22 3gxr h THR 140 Cb 1.27 1.70 0.01 0.00 -1.73 0.00 0.00 68.15 69.39 3gxr h THR 140 CO 0.47 0.22 -0.49 -0.33 -0.25 0.00 0.00 175.52 175.13 3gxr h GLU 141 N 0.00 0.45 -0.59 4.72 3.07 -1.90 -1.15 114.58 119.19 3gxr h GLU 141 Ca -0.00 -0.39 0.04 0.00 -0.50 0.00 0.00 59.36 58.50 3gxr h GLU 141 Cb 0.68 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.63 3gxr h GLU 141 CO 0.03 1.04 0.33 1.96 -1.40 0.00 0.00 179.01 180.97 3gxr h GLN 142 N -0.01 0.62 -0.72 2.33 4.20 -1.80 -1.63 115.11 118.10 3gxr h GLN 142 Ca -0.04 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.69 3gxr h GLN 142 Cb 1.16 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 3gxr h GLN 142 CO 0.10 0.41 0.42 1.96 -0.67 0.00 0.00 178.83 181.05 3gxr h GLN 143 N 0.64 0.74 -0.46 1.46 4.20 -0.70 -0.33 115.11 120.66 3gxr h GLN 143 Ca 0.25 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 3gxr h GLN 143 Cb 0.10 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3gxr h GLN 143 CO -0.14 0.49 -0.03 1.25 -0.67 0.00 0.00 178.83 179.72 3gxr h LEU 144 N 0.76 0.83 -0.42 1.46 5.85 -0.91 -0.19 115.31 122.68 3gxr h LEU 144 Ca 0.32 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3gxr h LEU 144 Cb 0.19 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3gxr h LEU 144 CO -0.18 0.96 0.14 0.50 -0.34 0.00 0.00 178.44 179.51 3gxr h LYS 145 N 0.69 0.65 -0.94 1.25 3.64 -0.95 -1.22 116.57 119.68 3gxr h LYS 145 Ca 0.13 -0.14 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 3gxr h LYS 145 Cb 0.55 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 3gxr h LYS 145 CO 0.03 0.63 0.60 0.78 -2.27 0.00 0.00 179.45 179.23 3gxr h GLY 146 N 0.54 1.42 0.95 5.01 0.00 -0.78 -0.76 103.07 109.47 3gxr h GLY 146 Ca 0.14 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3gxr h GLY 146 CO -0.01 0.20 0.08 0.00 0.00 0.00 0.00 176.54 176.81 3gxr h ALA 147 N 1.54 0.57 -0.56 3.60 0.00 -0.67 0.15 119.26 123.89 3gxr h ALA 147 Ca 0.45 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3gxr h ALA 147 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3gxr h ALA 147 CO -0.21 0.28 0.14 0.82 0.00 0.00 0.00 179.25 180.28 3gxr h ILE 148 N 0.57 1.25 -0.47 0.00 2.04 -0.74 -0.98 117.51 119.17 3gxr h ILE 148 Ca 0.13 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 65.14 3gxr h ILE 148 Cb 0.36 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3gxr h ILE 148 CO 0.01 0.33 0.26 0.00 0.00 0.00 0.00 178.15 178.74 3gxr h ALA 149 N 1.02 0.59 -0.28 1.87 0.00 -0.85 -2.31 119.26 119.31 3gxr h ALA 149 Ca 0.18 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3gxr h ALA 149 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gxr h ALA 149 CO 0.00 -0.08 0.19 0.00 0.00 0.00 0.00 179.25 179.36 3gxr h ALA 150 N 1.23 1.90 -0.53 0.00 0.00 -0.35 -0.25 119.26 121.26 3gxr h ALA 150 Ca 0.20 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3gxr h ALA 150 Cb 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3gxr h ALA 150 CO -0.12 0.06 0.36 -0.92 0.00 0.00 0.00 179.25 178.63 3gxr h TYR 151 N 0.29 0.49 0.11 0.00 3.20 -0.60 0.10 116.97 120.57 3gxr h TYR 151 Ca 0.11 0.01 -0.35 0.00 3.14 0.00 0.00 58.73 61.65 3gxr h TYR 151 Cb 0.09 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3gxr h TYR 151 CO -0.00 0.27 -1.91 -0.97 -1.64 0.00 0.00 178.16 173.91 3gxr h ASN 152 N 0.49 0.36 -0.00 -2.11 -0.73 -1.13 -3.44 115.58 109.02 3gxr h ASN 152 Ca 0.23 -0.77 0.00 0.00 1.87 0.00 0.00 56.30 57.63 3gxr h ASN 152 Cb 0.28 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.75 3gxr h ASN 152 CO -0.06 1.69 -0.06 1.07 -0.37 0.00 0.00 177.43 179.70 3gxr n THR 153 N -3.41 0.00 0.00 -3.57 5.66 -0.25 -4.89 114.28 107.82 3gxr n THR 153 Ca -0.28 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 3gxr n THR 153 Cb 1.05 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.84 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 0.87 1.06 0.28 1.09 0.00 0.33 -4.31 105.19 104.51 3gxr n GLY 154 Ca 0.00 -1.57 0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 0.43 1.61 2.03 -1.92 -2.48 116.42 116.09 3gxr h ASP 155 Ca 0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 3gxr h ASP 155 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3gxr h ASP 155 CO 0.00 0.07 -0.40 1.23 -1.03 0.00 0.00 179.24 179.11 3gxr h GLY 156 N 1.15 0.00 -3.22 7.15 0.00 -1.96 -2.93 103.07 103.26 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 0.01 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.09 3gxr n ARG 157 N -4.01 4.38 -3.69 4.80 1.74 -0.93 -4.71 116.66 114.24 3gxr n ARG 157 Ca -0.02 -2.73 -0.38 0.00 -0.77 0.00 0.00 57.85 53.95 3gxr n ARG 157 Cb 0.44 -2.17 -0.11 0.00 -1.02 0.00 0.00 32.46 29.60 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 -2.53 3.73 -0.19 1.55 1.01 -1.11 -4.58 120.40 118.29 3gxr s VAL 158 Ca 0.47 -1.73 0.10 0.00 0.00 0.00 0.00 61.98 60.82 3gxr s VAL 158 Cb 0.36 -3.41 -0.18 0.00 0.00 0.00 0.00 36.38 33.15 3gxr s VAL 158 CO 0.14 -0.59 -0.04 -0.62 0.00 0.00 0.00 175.10 173.99 3gxr n GLU 159 N 4.76 0.95 -3.97 2.72 1.02 -1.26 -5.00 120.64 119.85 3gxr n GLU 159 Ca -0.07 0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.02 3gxr n GLU 159 Cb 0.42 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 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 -5.51 0.05 0.06 1.62 1.04 -1.26 -5.07 113.70 104.63 3gxr s SER 160 Ca -0.17 -0.90 -0.15 0.00 0.48 0.00 0.00 55.95 55.21 3gxr s SER 160 Cb 0.06 0.43 -0.25 0.00 0.10 0.00 0.00 66.02 66.37 3gxr s SER 160 CO 0.62 -0.89 1.16 0.22 0.98 0.00 0.00 173.24 175.32 3gxr h TYR 161 N 2.55 0.99 -0.23 5.02 3.20 -1.98 -2.52 116.97 124.00 3gxr h TYR 161 Ca -0.32 -0.56 -0.03 0.00 3.14 0.00 0.00 58.73 60.96 3gxr h TYR 161 Cb 1.23 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 3gxr h TYR 161 CO 0.40 1.40 0.02 0.93 -1.64 0.00 0.00 178.16 179.27 3gxr h GLU 162 N 0.31 0.34 -0.53 1.82 4.39 -2.02 -2.38 114.58 116.50 3gxr h GLU 162 Ca -0.14 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.39 3gxr h GLU 162 Cb 1.71 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 30.22 3gxr h GLU 162 CO 0.20 0.35 0.12 -1.13 -1.16 0.00 0.00 179.01 177.39 3gxr n SER 163 N -4.37 4.35 -0.31 1.42 3.41 -1.22 -4.73 113.62 112.17 3gxr n SER 163 Ca 0.00 -3.21 0.14 0.00 -0.26 0.00 0.00 58.87 55.55 3gxr n SER 163 Cb 0.18 -0.67 0.38 0.00 -0.26 0.00 0.00 64.21 63.85 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 2.34 0.73 -0.19 -3.33 3.04 -0.96 -0.98 116.25 116.90 3gxr h VAL 164 Ca 0.15 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 3gxr h VAL 164 Cb 1.95 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 3gxr h VAL 164 CO 0.52 0.12 0.00 0.47 -1.01 0.00 0.00 177.57 177.67 3gxr n ASP 165 N -4.64 2.95 0.18 3.17 8.00 -1.26 -4.59 116.55 120.35 3gxr n ASP 165 Ca 0.21 -1.93 0.06 0.00 0.71 0.00 0.00 54.79 53.84 3gxr n ASP 165 Cb 0.58 -0.12 0.53 0.00 -0.02 0.00 0.00 41.12 42.09 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 4.19 0.14 -0.69 -2.24 4.64 -1.43 -1.59 113.55 116.56 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 0.91 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3gxr h SER 166 CO 0.00 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.67 3gxr n ARG 167 N -4.44 2.82 -3.07 4.77 5.12 -1.26 -4.80 116.66 115.80 3gxr n ARG 167 Ca -0.01 -2.63 -0.25 0.00 -1.93 0.00 0.00 57.85 53.03 3gxr n ARG 167 Cb 0.14 -1.56 -0.01 0.00 -1.16 0.00 0.00 32.46 29.87 3gxr n ARG 167 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3gxr s THR 168 N -1.06 5.01 0.14 0.55 -4.23 -0.60 -4.82 115.64 110.63 3gxr s THR 168 Ca 0.47 -0.20 -0.34 0.00 -1.18 0.00 0.00 61.69 60.44 3gxr s THR 168 Cb 0.25 -3.86 -0.14 0.00 1.34 0.00 0.00 72.50 70.09 3gxr s THR 168 CO 0.31 -0.67 1.58 0.41 -0.54 0.00 0.00 174.62 175.70 3gxr n THR 169 N -1.98 0.03 -0.85 3.99 -1.04 -1.26 -0.82 114.28 112.34 3gxr n THR 169 Ca -0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3gxr n THR 169 Cb 0.56 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 3gxr n THR 169 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gxr n GLY 170 N 3.40 0.41 2.54 3.41 0.00 -1.26 -3.28 105.19 110.42 3gxr n GLY 170 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.63 -2.41 -0.37 1.61 5.02 -0.00 -4.67 118.16 115.71 3gxr n LYS 171 Ca 0.00 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 3gxr n LYS 171 Cb 0.10 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 3gxr n LYS 171 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gxr n ASP 172 N -1.86 0.00 0.28 4.39 5.75 -1.21 -4.64 116.55 119.26 3gxr n ASP 172 Ca -0.13 -1.37 -0.16 0.00 -0.01 0.00 0.00 54.79 53.12 3gxr n ASP 172 Cb 0.60 -0.07 -0.08 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.00 -0.65 -0.56 2.11 3.20 -1.83 0.18 116.97 119.41 3gxr h TYR 173 Ca 0.00 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3gxr h TYR 173 Cb 1.15 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 3gxr h TYR 173 CO -0.07 -0.35 0.08 0.66 -1.64 0.00 0.00 178.16 176.85 3gxr h SER 174 N -0.86 0.89 -0.37 -2.11 4.64 -1.88 0.05 113.55 113.91 3gxr h SER 174 Ca -0.07 -0.26 0.08 0.00 -0.47 0.00 0.00 61.79 61.06 3gxr h SER 174 Cb 0.60 -0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 62.37 3gxr h SER 174 CO 0.12 0.93 -0.15 0.78 -0.87 0.00 0.00 176.83 177.64 3gxr h ASN 175 N 0.82 -0.53 0.01 4.97 4.21 -1.81 -0.06 115.58 123.20 3gxr h ASN 175 Ca 0.17 0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.81 3gxr h ASN 175 Cb 0.42 0.30 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 3gxr h ASN 175 CO 0.01 -0.19 -0.01 -0.78 -1.29 0.00 0.00 177.43 175.18 3gxr h ASP 176 N -0.08 -0.01 -0.78 5.81 3.58 -0.79 -2.64 116.42 121.49 3gxr h ASP 176 Ca 0.19 -0.24 0.02 0.00 0.42 0.00 0.00 57.03 57.41 3gxr h ASP 176 Cb 0.36 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 3gxr h ASP 176 CO -0.43 0.23 0.51 0.58 -2.88 0.00 0.00 179.24 177.26 3gxr h VAL 177 N -0.26 1.17 -0.64 2.25 2.07 -0.82 0.48 116.25 120.50 3gxr h VAL 177 Ca -0.00 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3gxr h VAL 177 Cb 0.25 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 3gxr h VAL 177 CO 0.00 0.19 0.39 0.58 0.02 0.00 0.00 177.57 178.75 3gxr h VAL 178 N 1.03 1.05 -0.28 2.57 2.07 -1.01 0.53 116.25 122.22 3gxr h VAL 178 Ca 0.30 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 3gxr h VAL 178 Cb -0.07 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3gxr h VAL 178 CO -0.08 0.14 -0.07 0.00 0.02 0.00 0.00 177.57 177.58 3gxr h ALA 179 N 1.29 0.39 -0.73 1.67 0.00 -1.04 0.03 119.26 120.87 3gxr h ALA 179 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gxr h ALA 179 Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3gxr h ALA 179 CO -0.12 0.20 0.47 0.00 0.00 0.00 0.00 179.25 179.80 3gxr h ARG 180 N 0.30 0.98 -0.89 0.00 3.08 -0.60 -1.21 114.38 116.05 3gxr h ARG 180 Ca 0.07 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3gxr h ARG 180 Cb 0.54 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 3gxr h ARG 180 CO 0.03 0.67 0.58 0.00 -1.07 0.00 0.00 179.97 180.18 3gxr h ALA 181 N 1.25 1.14 -0.86 0.04 0.00 -0.20 -0.83 119.26 119.80 3gxr h ALA 181 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3gxr h ALA 181 Cb -0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.33 3gxr h ALA 181 CO -0.05 0.49 0.51 1.96 0.00 0.00 0.00 179.25 182.15 3gxr h GLN 182 N 1.17 1.17 -0.41 0.00 4.20 -0.65 0.21 115.11 120.79 3gxr h GLN 182 Ca 0.34 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 3gxr h GLN 182 Cb -0.08 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.44 3gxr h GLN 182 CO -0.09 0.83 0.04 2.35 -0.67 0.00 0.00 178.83 181.29 3gxr h TRP 183 N 1.19 0.75 -0.11 2.96 7.01 -0.75 -2.19 115.95 124.81 3gxr h TRP 183 Ca 0.31 -0.11 -0.14 0.00 2.11 0.00 0.00 58.89 61.06 3gxr h TRP 183 Cb -0.04 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 3gxr h TRP 183 CO 0.01 0.74 -0.52 1.88 -2.79 0.00 0.00 178.44 177.75 3gxr h TYR 184 N 0.55 0.38 0.22 2.65 0.05 -0.47 0.62 116.97 120.97 3gxr h TYR 184 Ca 0.12 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3gxr h TYR 184 Cb 0.41 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.08 3gxr h TYR 184 CO 0.03 0.77 -0.10 -0.22 -1.05 0.00 0.00 178.16 177.59 3gxr h LYS 185 N 0.24 -0.28 -0.16 4.88 1.63 -0.48 0.26 116.57 122.66 3gxr h LYS 185 Ca 0.01 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3gxr h LYS 185 Cb 1.00 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 3gxr h LYS 185 CO 0.08 -0.16 0.05 -0.22 -3.45 0.00 0.00 179.45 175.76 3gxr h LYS 186 N -0.33 0.25 0.00 1.90 1.63 -1.30 -3.36 116.57 115.36 3gxr h LYS 186 Ca -0.03 -0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.58 3gxr h LYS 186 Cb 0.25 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 3gxr h LYS 186 CO 0.05 0.37 -2.05 0.09 -3.45 0.00 0.00 179.45 174.46 3gxr n ASN 187 N -4.84 0.10 0.00 4.20 3.02 0.20 -5.11 115.26 112.84 3gxr n ASN 187 Ca -0.05 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3gxr n ASN 187 Cb 0.14 1.46 0.00 0.00 -0.61 0.00 0.00 39.78 40.77 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 1.44 -1.56 0.00 7.41 0.00 0.90 -5.05 105.19 108.32 3gxr n GLY 188 Ca -0.14 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3gxr n GLY 188 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29