#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gxg h ASN 7 N 0.00 0.18 -0.18 -1.84 2.35 -2.06 -2.48 115.58 111.54 2gxg h ASN 7 Ca 0.00 -0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.52 2gxg h ASN 7 Cb 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2gxg h ASN 7 CO 0.00 0.62 -0.46 0.03 -1.65 0.00 0.00 177.43 175.98 2gxg h ARG 8 N 0.13 0.63 -0.12 0.81 3.08 -2.06 -1.36 114.38 115.49 2gxg h ARG 8 Ca 0.01 -0.43 -0.10 0.00 0.07 0.00 0.00 59.98 59.52 2gxg h ARG 8 Cb 0.88 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 2gxg h ARG 8 CO 0.07 1.05 -0.38 0.97 -1.07 0.00 0.00 179.97 180.62 2gxg h ILE 9 N 0.31 1.30 -0.46 2.04 2.10 -2.00 -2.95 117.51 117.84 2gxg h ILE 9 Ca -0.01 -1.44 -0.06 0.00 1.08 0.00 0.00 64.86 64.44 2gxg h ILE 9 Cb 1.07 1.62 -0.02 0.00 -1.09 0.00 0.00 36.82 38.40 2gxg h ILE 9 CO 0.10 0.43 0.04 -0.61 -1.08 0.00 0.00 178.15 177.04 2gxg h GLN 10 N 0.22 0.73 0.14 2.19 4.15 -1.21 -0.30 115.11 121.03 2gxg h GLN 10 Ca 0.02 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.28 2gxg h GLN 10 Cb 0.77 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 2gxg h GLN 10 CO 0.06 0.72 -0.17 0.82 -1.93 0.00 0.00 178.83 178.33 2gxg h ILE 11 N 0.70 0.62 -0.65 2.39 2.04 -1.09 -1.02 117.51 120.51 2gxg h ILE 11 Ca 0.15 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.92 2gxg h ILE 11 Cb 0.37 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2gxg h ILE 11 CO 0.01 0.00 0.06 0.24 0.00 0.00 0.00 178.15 178.46 2gxg h MET 12 N -0.35 1.10 -0.10 2.37 2.86 -1.30 -1.01 114.93 118.50 2gxg h MET 12 Ca 0.01 -0.32 -0.13 0.00 -2.06 0.00 0.00 59.70 57.20 2gxg h MET 12 Cb 0.35 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2gxg h MET 12 CO -0.06 1.04 -0.51 0.66 1.06 0.00 0.00 176.91 179.09 2gxg h SER 13 N 1.01 0.28 -0.37 1.22 4.64 -1.01 -1.82 113.55 117.51 2gxg h SER 13 Ca 0.19 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 2gxg h SER 13 Cb 0.50 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2gxg h SER 13 CO 0.02 0.75 -0.20 0.74 -0.87 0.00 0.00 176.83 177.27 2gxg h THR 14 N 0.21 1.28 -0.55 2.95 2.02 -1.01 -1.32 112.91 116.49 2gxg h THR 14 Ca 0.01 -1.33 0.10 0.00 0.77 0.00 0.00 66.41 65.95 2gxg h THR 14 Cb 0.97 1.34 -0.08 0.00 -1.74 0.00 0.00 68.15 68.64 2gxg h THR 14 CO 0.08 0.44 0.11 0.40 0.37 0.00 0.00 175.52 176.92 2gxg h ILE 15 N 0.59 0.67 -0.53 3.11 2.04 -0.98 -0.13 117.51 122.28 2gxg h ILE 15 Ca 0.08 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2gxg h ILE 15 Cb 0.75 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2gxg h ILE 15 CO 0.06 0.04 0.22 0.00 0.00 0.00 0.00 178.15 178.47 2gxg h ALA 16 N 1.44 0.69 -0.75 1.87 0.00 -1.17 -0.97 119.26 120.36 2gxg h ALA 16 Ca 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2gxg h ALA 16 Cb 0.40 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2gxg h ALA 16 CO -0.37 0.29 0.26 0.87 0.00 0.00 0.00 179.25 180.30 2gxg h LYS 17 N 0.71 1.15 -0.43 0.00 1.57 -0.68 -1.40 116.57 117.50 2gxg h LYS 17 Ca 0.18 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2gxg h LYS 17 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2gxg h LYS 17 CO -0.02 0.96 0.20 0.82 -0.57 0.00 0.00 179.45 180.85 2gxg h ILE 18 N 1.10 1.18 -0.49 1.86 2.04 -0.82 -2.35 117.51 120.04 2gxg h ILE 18 Ca 0.25 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2gxg h ILE 18 Cb 0.27 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2gxg h ILE 18 CO -0.01 0.20 0.28 0.22 0.00 0.00 0.00 178.15 178.84 2gxg h TYR 19 N 0.55 0.65 -0.39 1.37 3.20 -0.81 0.55 116.97 122.09 2gxg h TYR 19 Ca 0.15 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 2gxg h TYR 19 Cb 0.13 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2gxg h TYR 19 CO -0.01 0.47 0.18 0.00 -1.64 0.00 0.00 178.16 177.16 2gxg h ARG 20 N 0.65 0.57 -0.29 1.82 3.08 -1.11 0.45 114.38 119.55 2gxg h ARG 20 Ca 0.17 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 2gxg h ARG 20 Cb 0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2gxg h ARG 20 CO -0.03 0.51 -0.47 0.00 -1.07 0.00 0.00 179.97 178.91 2gxg h ALA 21 N 1.03 0.63 -0.86 0.04 0.00 -1.13 -2.32 119.26 116.65 2gxg h ALA 21 Ca 0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2gxg h ALA 21 Cb 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2gxg h ALA 21 CO -0.02 0.68 0.46 0.52 0.00 0.00 0.00 179.25 180.89 2gxg h MET 22 N 0.61 1.21 -0.25 0.00 2.86 -0.73 -2.05 114.93 116.58 2gxg h MET 22 Ca 0.03 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2gxg h MET 22 Cb 1.04 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 2gxg h MET 22 CO 0.10 0.89 0.15 0.77 1.06 0.00 0.00 176.91 179.89 2gxg h SER 23 N 1.20 0.26 -0.38 1.22 0.02 -0.70 0.28 113.55 115.44 2gxg h SER 23 Ca 0.30 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2gxg h SER 23 Cb 0.05 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2gxg h SER 23 CO -0.05 0.19 0.23 -0.09 -1.14 0.00 0.00 176.83 175.97 2gxg h ARG 24 N 0.32 0.52 -0.10 3.45 2.43 -1.24 -0.55 114.38 119.21 2gxg h ARG 24 Ca 0.10 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.03 2gxg h ARG 24 Cb -0.02 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2gxg h ARG 24 CO -0.04 0.39 -0.73 1.49 -1.51 0.00 0.00 179.97 179.57 2gxg h GLU 25 N 0.50 0.50 -0.58 0.20 4.57 -0.98 -2.20 114.58 116.59 2gxg h GLU 25 Ca 0.14 -0.41 -0.07 0.00 -1.18 0.00 0.00 59.36 57.84 2gxg h GLU 25 Cb 0.01 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2gxg h GLU 25 CO -0.03 1.04 0.07 1.25 -1.18 0.00 0.00 179.01 180.16 2gxg h LEU 26 N 0.35 0.95 -0.98 1.64 5.85 -0.37 -0.77 115.31 121.98 2gxg h LEU 26 Ca -0.03 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.45 2gxg h LEU 26 Cb 1.32 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2gxg h LEU 26 CO 0.13 0.98 0.64 0.78 -0.34 0.00 0.00 178.44 180.63 2gxg h ASN 27 N 0.88 1.06 0.05 1.25 2.35 -0.96 0.20 115.58 120.41 2gxg h ASN 27 Ca 0.17 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2gxg h ASN 27 Cb 0.45 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2gxg h ASN 27 CO 0.02 0.72 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.40 2gxg h ARG 28 N 1.23 -0.07 -0.03 0.81 2.43 -0.96 -1.88 114.38 115.91 2gxg h ARG 28 Ca 0.39 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.37 2gxg h ARG 28 Cb 0.01 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2gxg h ARG 28 CO -0.13 0.20 -0.80 0.00 -1.51 0.00 0.00 179.97 177.73 2gxg h ARG 29 N -0.34 0.31 0.00 0.20 3.08 -0.76 -2.56 114.38 114.31 2gxg h ARG 29 Ca -0.01 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 2gxg h ARG 29 Cb 0.30 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2gxg h ARG 29 CO 0.01 0.96 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.57 2gxg h LEU 30 N 0.20 0.00 -2.02 3.04 3.38 -0.67 -3.05 115.31 116.18 2gxg h LEU 30 Ca -0.04 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2gxg h LEU 30 Cb 1.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2gxg h LEU 30 CO 0.13 0.23 0.25 1.23 0.09 0.00 0.00 178.44 180.37 2gxg h GLY 31 N 1.87 0.00 2.00 0.83 0.00 -0.90 0.91 103.07 107.78 2gxg h GLY 31 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2gxg h GLY 31 CO 0.03 0.00 -0.03 0.83 0.00 0.00 0.00 176.54 177.37 2gxg h GLU 32 N 0.00 0.00 -0.65 4.80 5.08 -1.65 -0.81 114.58 121.35 2gxg h GLU 32 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2gxg h GLU 32 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2gxg h GLU 32 CO -0.00 0.03 0.00 1.28 -1.00 0.00 0.00 179.01 179.32 2gxg n LEU 33 N -3.20 4.13 -1.35 1.33 4.77 0.28 -4.94 117.00 118.02 2gxg n LEU 33 Ca -0.01 -2.08 -0.14 0.00 -0.03 0.00 0.00 56.01 53.75 2gxg n LEU 33 Cb 0.22 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 2gxg n LEU 33 CO 0.26 0.79 -0.16 0.59 -1.33 0.00 0.00 177.39 177.54 2gxg n ASN 34 N 1.15 -4.53 -4.34 -1.43 3.02 -0.31 -5.01 115.26 103.82 2gxg n ASN 34 Ca 0.23 0.17 -0.28 0.00 -0.03 0.00 0.00 54.58 54.67 2gxg n ASN 34 Cb 0.74 -3.48 -0.14 0.00 -0.61 0.00 0.00 39.78 36.29 2gxg n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2gxg s LEU 35 N -3.65 2.23 0.68 3.41 1.43 -1.01 -4.99 118.68 116.78 2gxg s LEU 35 Ca 0.00 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.40 2gxg s LEU 35 Cb 0.00 -1.18 0.05 0.00 0.03 0.00 0.00 46.19 45.09 2gxg s LEU 35 CO 0.00 0.20 0.99 -0.94 0.23 0.00 0.00 176.35 176.83 2gxg s SER 36 N -1.54 4.95 0.18 2.29 1.04 -1.26 -2.78 113.70 116.59 2gxg s SER 36 Ca 0.11 0.48 -0.13 0.00 0.48 0.00 0.00 55.95 56.90 2gxg s SER 36 Cb -0.10 -1.19 0.12 0.00 0.10 0.00 0.00 66.02 64.94 2gxg s SER 36 CO 0.03 -1.50 1.83 0.22 0.98 0.00 0.00 173.24 174.80 2gxg h TYR 37 N -0.51 0.66 -0.58 5.02 3.20 -1.88 -0.82 116.97 122.06 2gxg h TYR 37 Ca -0.44 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.48 2gxg h TYR 37 Cb 1.31 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 2gxg h TYR 37 CO 0.36 0.39 0.35 1.25 -1.64 0.00 0.00 178.16 178.86 2gxg h LEU 38 N 0.70 0.55 -0.61 2.82 5.85 -1.99 -0.68 115.31 121.96 2gxg h LEU 38 Ca 0.22 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2gxg h LEU 38 Cb -0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2gxg h LEU 38 CO -0.09 0.38 0.39 0.44 -0.34 0.00 0.00 178.44 179.22 2gxg h ASP 39 N 0.68 0.65 -0.91 1.25 3.32 -1.79 -1.08 116.42 118.55 2gxg h ASP 39 Ca 0.24 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.31 2gxg h ASP 39 Cb 0.05 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 2gxg h ASP 39 CO -0.12 0.46 0.59 0.15 -1.72 0.00 0.00 179.24 178.61 2gxg h PHE 40 N 0.78 1.11 -0.67 4.55 3.57 -0.67 -1.67 116.94 123.94 2gxg h PHE 40 Ca 0.23 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2gxg h PHE 40 Cb -0.04 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.30 2gxg h PHE 40 CO -0.04 0.65 0.30 -0.07 -2.23 0.00 0.00 178.31 176.92 2gxg h LEU 41 N 1.16 0.86 -0.59 0.59 3.38 -0.15 0.21 115.31 120.77 2gxg h LEU 41 Ca 0.36 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 2gxg h LEU 41 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2gxg h LEU 41 CO -0.11 0.74 -0.01 0.58 0.09 0.00 0.00 178.44 179.73 2gxg h VAL 42 N 0.95 1.27 -0.50 1.22 2.07 -0.72 0.29 116.25 120.83 2gxg h VAL 42 Ca 0.23 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 2gxg h VAL 42 Cb 0.12 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2gxg h VAL 42 CO -0.03 0.42 0.18 -0.07 0.02 0.00 0.00 177.57 178.09 2gxg h LEU 43 N 0.95 0.72 -0.74 2.57 3.38 -0.80 -1.59 115.31 119.79 2gxg h LEU 43 Ca 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2gxg h LEU 43 Cb 0.57 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2gxg h LEU 43 CO 0.03 0.72 0.47 -0.09 0.09 0.00 0.00 178.44 179.66 2gxg h ARG 44 N 0.68 0.98 -0.41 1.13 9.65 -0.29 0.58 114.38 126.69 2gxg h ARG 44 Ca 0.16 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.92 2gxg h ARG 44 Cb 0.24 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2gxg h ARG 44 CO -0.01 0.67 0.04 0.00 2.80 0.00 0.00 179.97 183.47 2gxg h ALA 45 N 1.26 0.54 0.00 2.80 0.00 -0.72 -2.83 119.26 120.31 2gxg h ALA 45 Ca 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2gxg h ALA 45 Cb -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2gxg h ALA 45 CO -0.06 0.28 -0.10 0.25 0.00 0.00 0.00 179.25 179.63 2gxg n THR 46 N -4.49 0.22 0.26 0.00 -2.24 -0.62 -4.01 114.28 103.39 2gxg n THR 46 Ca -0.01 -0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 2gxg n THR 46 Cb 0.25 -0.42 0.68 0.00 -2.10 0.00 0.00 70.33 68.75 2gxg n THR 46 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2gxg h SER 47 N 0.00 0.00 -0.46 3.42 4.64 -0.62 -2.61 113.55 117.92 2gxg h SER 47 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gxg h SER 47 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2gxg h SER 47 CO 0.00 0.12 0.00 -0.90 -0.87 0.00 0.00 176.83 175.18 2gxg n ASP 48 N -3.92 3.26 0.00 4.97 5.68 -1.26 -5.05 116.55 120.24 2gxg n ASP 48 Ca -0.02 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 2gxg n ASP 48 Cb 0.21 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 2gxg n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2gxg n GLY 49 N 0.99 4.02 3.76 6.12 0.00 -0.98 -5.13 105.19 113.97 2gxg n GLY 49 Ca 0.16 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 2gxg n GLY 49 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gxg s PRO 50 N -2.80 3.45 0.08 1.61 0.02 -1.26 -4.29 135.00 131.80 2gxg s PRO 50 Ca 0.00 1.86 0.07 0.00 0.02 0.00 0.00 61.00 62.95 2gxg s PRO 50 Cb 0.00 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 2gxg s PRO 50 CO 0.00 -0.83 -0.18 0.15 -0.33 0.00 0.00 177.00 175.81 2gxg s LYS 51 N -2.92 1.02 0.57 5.54 -0.14 -0.62 -4.86 119.74 118.34 2gxg s LYS 51 Ca 0.69 -1.02 -0.17 0.00 -1.36 0.00 0.00 55.97 54.11 2gxg s LYS 51 Cb -0.31 -1.14 -0.05 0.00 -1.68 0.00 0.00 37.83 34.65 2gxg s LYS 51 CO 0.36 0.27 1.05 0.95 -0.76 0.00 0.00 175.35 177.22 2gxg s THR 52 N -1.13 3.88 0.28 2.17 -4.23 -1.26 -0.62 115.64 114.74 2gxg s THR 52 Ca 0.03 0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 61.44 2gxg s THR 52 Cb -0.10 -3.43 0.24 0.00 1.34 0.00 0.00 72.50 70.56 2gxg s THR 52 CO 0.03 -0.48 1.93 0.24 -0.54 0.00 0.00 174.62 175.80 2gxg h MET 53 N 0.67 1.11 -0.72 3.99 2.86 -1.97 -2.46 114.93 118.40 2gxg h MET 53 Ca -0.47 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.02 2gxg h MET 53 Cb 1.22 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 2gxg h MET 53 CO 0.58 0.77 0.25 0.00 1.06 0.00 0.00 176.91 179.57 2gxg h ALA 54 N 1.42 0.95 -0.30 6.32 0.00 -1.96 -2.14 119.26 123.55 2gxg h ALA 54 Ca 0.30 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2gxg h ALA 54 Cb -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2gxg h ALA 54 CO -0.06 0.61 0.15 -0.92 0.00 0.00 0.00 179.25 179.03 2gxg h TYR 55 N 1.06 0.28 -0.78 0.00 3.20 -1.84 -1.58 116.97 117.31 2gxg h TYR 55 Ca 0.24 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 2gxg h TYR 55 Cb 0.27 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 2gxg h TYR 55 CO 0.02 0.15 0.49 -0.07 -1.64 0.00 0.00 178.16 177.12 2gxg h LEU 56 N 0.31 0.81 -0.41 2.82 3.38 -1.16 0.24 115.31 121.30 2gxg h LEU 56 Ca 0.12 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2gxg h LEU 56 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2gxg h LEU 56 CO -0.08 0.56 -0.20 0.00 0.09 0.00 0.00 178.44 178.81 2gxg h ALA 57 N 1.33 0.58 -0.15 1.53 0.00 -1.21 -2.56 119.26 118.78 2gxg h ALA 57 Ca 0.31 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2gxg h ALA 57 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2gxg h ALA 57 CO -0.12 0.54 -0.12 -0.91 0.00 0.00 0.00 179.25 178.64 2gxg h ASN 58 N 0.67 0.37 -0.24 0.00 2.35 -0.91 -0.34 115.58 117.49 2gxg h ASN 58 Ca 0.09 -0.46 -0.09 0.00 -0.55 0.00 0.00 56.30 55.29 2gxg h ASN 58 Cb 0.76 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 2gxg h ASN 58 CO 0.06 0.75 -0.15 -0.09 -1.65 0.00 0.00 177.43 176.35 2gxg h ARG 59 N -0.01 0.66 -0.41 0.81 9.65 -0.54 -2.95 114.38 121.58 2gxg h ARG 59 Ca 0.03 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 2gxg h ARG 59 Cb 0.64 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2gxg h ARG 59 CO 0.03 0.78 0.00 0.66 2.80 0.00 0.00 179.97 184.24 2gxg n TYR 60 N -4.16 0.71 -3.56 2.20 4.01 -0.97 -4.99 117.16 110.40 2gxg n TYR 60 Ca 0.01 -0.57 -0.22 0.00 -0.16 0.00 0.00 57.90 56.96 2gxg n TYR 60 Cb 0.37 -0.09 0.05 0.00 -0.31 0.00 0.00 39.34 39.35 2gxg n TYR 60 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2gxg n PHE 61 N 0.53 -2.07 -4.31 -0.72 3.01 -0.22 -5.00 117.46 108.69 2gxg n PHE 61 Ca 0.16 0.77 -0.16 0.00 1.01 0.00 0.00 57.45 59.23 2gxg n PHE 61 Cb 0.57 -4.21 -0.10 0.00 -0.01 0.00 0.00 39.48 35.73 2gxg n PHE 61 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2gxg s VAL 62 N -3.53 0.89 0.69 -4.37 -7.23 -0.73 -5.06 120.40 101.06 2gxg s VAL 62 Ca 0.21 -2.02 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 2gxg s VAL 62 Cb -0.05 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.56 2gxg s VAL 62 CO 0.80 -0.31 1.07 0.42 -0.31 0.00 0.00 175.10 176.77 2gxg s THR 63 N -3.52 3.69 0.23 5.32 -4.23 -1.26 -4.59 115.64 111.29 2gxg s THR 63 Ca 0.29 0.64 -0.06 0.00 -1.18 0.00 0.00 61.69 61.37 2gxg s THR 63 Cb 0.06 -3.23 0.19 0.00 1.34 0.00 0.00 72.50 70.86 2gxg s THR 63 CO 0.08 -0.64 1.80 -0.61 -0.54 0.00 0.00 174.62 174.71 2gxg h GLN 64 N -0.46 0.67 -0.90 3.99 4.15 -1.95 -1.84 115.11 118.77 2gxg h GLN 64 Ca -0.45 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 2gxg h GLN 64 Cb 1.22 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.72 2gxg h GLN 64 CO 0.55 0.45 0.50 0.77 -1.93 0.00 0.00 178.83 179.17 2gxg h SER 65 N 0.69 1.11 -0.54 -0.69 0.02 -1.99 -0.29 113.55 111.86 2gxg h SER 65 Ca 0.36 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 2gxg h SER 65 Cb 0.34 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2gxg h SER 65 CO -0.25 0.88 0.09 0.00 -1.14 0.00 0.00 176.83 176.41 2gxg h ALA 66 N 1.28 0.72 -0.44 3.77 0.00 -1.77 -0.85 119.26 121.96 2gxg h ALA 66 Ca 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2gxg h ALA 66 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2gxg h ALA 66 CO -0.05 0.45 0.21 0.82 0.00 0.00 0.00 179.25 180.68 2gxg h ILE 67 N 0.78 1.18 -0.63 0.00 1.08 -1.03 -1.46 117.51 117.44 2gxg h ILE 67 Ca 0.16 -0.53 0.06 0.00 -0.39 0.00 0.00 64.86 64.17 2gxg h ILE 67 Cb 0.40 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 2gxg h ILE 67 CO 0.01 0.20 0.33 0.74 -0.69 0.00 0.00 178.15 178.74 2gxg h THR 68 N 0.57 0.95 -0.64 -0.27 2.02 -0.80 0.16 112.91 114.90 2gxg h THR 68 Ca 0.15 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 2gxg h THR 68 Cb 0.13 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 2gxg h THR 68 CO -0.02 0.11 0.09 0.00 0.37 0.00 0.00 175.52 176.08 2gxg h ALA 69 N 1.34 0.85 -0.23 6.16 0.00 -0.98 -0.27 119.26 126.14 2gxg h ALA 69 Ca 0.28 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2gxg h ALA 69 Cb 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2gxg h ALA 69 CO -0.19 0.63 -0.38 1.03 0.00 0.00 0.00 179.25 180.34 2gxg h SER 70 N 0.98 0.73 -0.74 0.00 0.87 -0.72 -1.83 113.55 112.84 2gxg h SER 70 Ca 0.19 -0.53 -0.04 0.00 -1.23 0.00 0.00 61.79 60.18 2gxg h SER 70 Cb 0.45 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 2gxg h SER 70 CO 0.02 1.12 0.30 0.58 -0.53 0.00 0.00 176.83 178.32 2gxg h VAL 71 N 0.36 1.25 -0.80 2.23 2.07 -0.61 0.28 116.25 121.03 2gxg h VAL 71 Ca 0.02 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 2gxg h VAL 71 Cb 0.98 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2gxg h VAL 71 CO 0.09 0.31 0.32 0.44 0.02 0.00 0.00 177.57 178.75 2gxg h ASP 72 N 1.06 1.10 0.20 0.57 3.32 -0.96 0.11 116.42 121.81 2gxg h ASP 72 Ca 0.25 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2gxg h ASP 72 Cb 0.20 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2gxg h ASP 72 CO -0.02 0.97 -0.09 0.50 -1.72 0.00 0.00 179.24 178.88 2gxg h LYS 73 N 1.16 -0.26 -0.44 3.56 3.64 -0.92 -1.41 116.57 121.90 2gxg h LYS 73 Ca 0.27 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2gxg h LYS 73 Cb 0.21 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2gxg h LYS 73 CO -0.02 -0.03 0.18 -0.07 -2.27 0.00 0.00 179.45 177.24 2gxg h LEU 74 N -0.45 0.57 -0.24 5.20 3.38 -0.75 -0.96 115.31 122.06 2gxg h LEU 74 Ca -0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2gxg h LEU 74 Cb 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2gxg h LEU 74 CO 0.04 0.52 0.12 -0.08 0.09 0.00 0.00 178.44 179.13 2gxg h GLU 75 N 0.63 0.35 -0.32 1.13 4.81 -0.71 0.35 114.58 120.81 2gxg h GLU 75 Ca 0.15 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2gxg h GLU 75 Cb 0.12 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2gxg h GLU 75 CO -0.02 0.34 0.12 1.49 -0.73 0.00 0.00 179.01 180.21 2gxg h GLU 76 N 0.27 0.44 0.00 1.92 4.57 -0.65 -1.90 114.58 119.23 2gxg h GLU 76 Ca 0.08 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2gxg h GLU 76 Cb 0.10 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2gxg h GLU 76 CO -0.01 0.38 0.00 -1.33 -1.18 0.00 0.00 179.01 176.87 2gxg n MET 77 N -4.40 0.02 -0.76 1.92 2.81 -0.42 -4.91 117.12 111.38 2gxg n MET 77 Ca 0.02 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2gxg n MET 77 Cb 0.14 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2gxg n MET 77 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gxg n GLY 78 N 0.86 0.57 0.04 3.03 0.00 -0.71 -4.95 105.19 104.02 2gxg n GLY 78 Ca 0.05 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.64 2gxg n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gxg n LEU 79 N 0.00 0.03 -4.02 0.99 4.77 0.06 -4.26 117.00 114.57 2gxg n LEU 79 Ca 0.00 0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 2gxg n LEU 79 Cb 0.00 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 2gxg n LEU 79 CO 0.00 0.12 -0.34 0.68 -1.33 0.00 0.00 177.39 176.52 2gxg s VAL 80 N -3.25 0.16 0.08 4.08 -7.23 -1.17 -1.83 120.40 111.24 2gxg s VAL 80 Ca -0.08 -1.34 0.09 0.00 -1.81 0.00 0.00 61.98 58.83 2gxg s VAL 80 Cb 0.12 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 2gxg s VAL 80 CO 0.89 -0.74 -0.23 0.68 -0.31 0.00 0.00 175.10 175.39 2gxg s VAL 81 N -2.73 1.85 -0.37 1.32 -7.23 0.60 -4.14 120.40 109.70 2gxg s VAL 81 Ca -0.04 -1.47 -0.27 0.00 -1.81 0.00 0.00 61.98 58.40 2gxg s VAL 81 Cb -0.01 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.31 2gxg s VAL 81 CO -0.06 0.10 0.98 -0.13 -0.31 0.00 0.00 175.10 175.68 2gxg s ARG 82 N -1.64 3.88 -0.15 4.82 0.52 -1.26 -0.83 118.95 124.29 2gxg s ARG 82 Ca 0.09 0.69 -0.07 0.00 -0.52 0.00 0.00 55.73 55.91 2gxg s ARG 82 Cb -0.10 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 2gxg s ARG 82 CO 0.04 -0.97 0.10 0.14 0.02 0.00 0.00 175.30 174.63 2gxg s VAL 83 N 3.59 5.19 -0.04 3.52 -7.23 0.72 -4.94 120.40 121.21 2gxg s VAL 83 Ca 0.41 0.10 0.05 0.00 -1.81 0.00 0.00 61.98 60.72 2gxg s VAL 83 Cb -0.12 -3.30 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 2gxg s VAL 83 CO 0.19 0.53 -0.18 -0.13 -0.31 0.00 0.00 175.10 175.21 2gxg s ARG 84 N -0.31 2.41 0.46 4.82 0.52 -1.26 -1.01 118.95 124.58 2gxg s ARG 84 Ca 0.10 -0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 54.31 2gxg s ARG 84 Cb -0.12 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 32.99 2gxg s ARG 84 CO 0.01 0.60 1.36 0.34 0.02 0.00 0.00 175.30 177.63 2gxg s ASP 85 N -0.68 5.87 0.44 0.23 2.15 -0.81 -4.90 116.67 118.97 2gxg s ASP 85 Ca 0.11 2.77 0.23 0.00 0.43 0.00 0.00 52.55 56.08 2gxg s ASP 85 Cb -0.11 -2.64 1.00 0.00 -0.30 0.00 0.00 42.92 40.87 2gxg s ASP 85 CO 0.00 -1.17 1.87 0.08 -0.17 0.00 0.00 175.17 175.79 2gxg h ARG 86 N 2.19 0.00 0.01 4.34 -0.00 -1.98 -3.11 114.38 115.82 2gxg h ARG 86 Ca -0.50 0.00 -0.36 0.00 -0.00 0.00 0.00 59.98 59.12 2gxg h ARG 86 Cb 1.27 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.17 2gxg h ARG 86 CO 0.60 0.24 -2.24 0.39 -0.00 0.00 0.00 179.97 178.96 2gxg n GLU 87 N -3.55 0.68 -3.64 0.08 1.02 -1.26 -4.82 120.64 109.14 2gxg n GLU 87 Ca -0.01 0.10 -0.29 0.00 -0.02 0.00 0.00 57.16 56.93 2gxg n GLU 87 Cb 0.39 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.09 2gxg n GLU 87 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2gxg s ASP 88 N -5.88 3.61 0.18 1.62 -1.08 -1.18 -5.00 116.67 108.93 2gxg s ASP 88 Ca -0.14 -2.03 0.18 0.00 -0.52 0.00 0.00 52.55 50.04 2gxg s ASP 88 Cb 0.07 -0.75 0.81 0.00 -1.46 0.00 0.00 42.92 41.60 2gxg s ASP 88 CO 0.79 -0.35 1.56 -2.11 0.52 0.00 0.00 175.17 175.58 2gxg n ARG 89 N 4.30 0.11 0.24 4.34 1.85 -1.20 -1.83 116.66 124.48 2gxg n ARG 89 Ca 0.04 0.43 0.10 0.00 -1.00 0.00 0.00 57.85 57.42 2gxg n ARG 89 Cb 0.38 -1.75 0.61 0.00 -1.05 0.00 0.00 32.46 30.65 2gxg n ARG 89 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2gxg h ARG 90 N 0.00 0.00 -6.67 2.89 3.08 -1.94 -3.42 114.38 108.32 2gxg h ARG 90 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2gxg h ARG 90 Cb 0.22 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 2gxg h ARG 90 CO 0.00 0.18 0.94 0.15 -1.07 0.00 0.00 179.97 180.17 2gxg s LYS 91 N -4.19 3.73 -0.05 0.04 1.02 -0.76 -5.00 119.74 114.53 2gxg s LYS 91 Ca -0.03 0.64 0.06 0.00 0.02 0.00 0.00 55.97 56.66 2gxg s LYS 91 Cb 0.13 -3.91 -0.02 0.00 -0.52 0.00 0.00 37.83 33.52 2gxg s LYS 91 CO 0.63 -1.37 -0.22 0.42 -0.92 0.00 0.00 175.35 173.88 2gxg s ILE 92 N 4.52 2.32 0.11 2.17 1.01 -1.26 -1.92 121.20 128.15 2gxg s ILE 92 Ca 0.49 -0.98 0.10 0.00 0.00 0.00 0.00 60.65 60.26 2gxg s ILE 92 Cb -0.08 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2gxg s ILE 92 CO 0.31 0.57 -0.25 -0.76 0.00 0.00 0.00 174.94 174.81 2gxg s LEU 93 N -0.35 2.30 -0.37 2.97 1.43 -0.18 -4.61 118.68 119.87 2gxg s LEU 93 Ca 0.02 -0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 52.26 2gxg s LEU 93 Cb -0.12 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 2gxg s LEU 93 CO 0.02 0.15 0.33 -0.63 0.23 0.00 0.00 176.35 176.45 2gxg s ILE 94 N -1.06 5.20 -0.12 -0.59 -1.09 0.21 -0.20 121.20 123.55 2gxg s ILE 94 Ca 0.11 -0.22 -0.02 0.00 -2.23 0.00 0.00 60.65 58.30 2gxg s ILE 94 Cb -0.10 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 2gxg s ILE 94 CO 0.05 -0.17 -0.06 -0.70 -1.23 0.00 0.00 174.94 172.83 2gxg s GLU 95 N 1.90 3.32 0.36 2.79 2.12 -0.01 -1.58 118.70 127.60 2gxg s GLU 95 Ca 0.09 -0.55 -0.27 0.00 0.36 0.00 0.00 54.97 54.61 2gxg s GLU 95 Cb -0.17 -2.77 -0.09 0.00 0.26 0.00 0.00 34.13 31.36 2gxg s GLU 95 CO 0.11 0.39 1.15 -1.50 -0.54 0.00 0.00 175.26 174.88 2gxg s ILE 96 N -0.06 3.26 0.62 -3.70 2.07 -1.26 -0.29 121.20 121.84 2gxg s ILE 96 Ca 0.01 1.12 -0.00 0.00 -1.41 0.00 0.00 60.65 60.37 2gxg s ILE 96 Cb -0.13 -3.66 0.06 0.00 0.13 0.00 0.00 42.46 38.86 2gxg s ILE 96 CO 0.03 0.16 0.87 0.42 -1.91 0.00 0.00 174.94 174.50 2gxg s THR 97 N -1.35 2.46 0.23 4.00 -4.23 -0.76 -4.84 115.64 111.15 2gxg s THR 97 Ca 0.53 -0.60 -0.07 0.00 -1.18 0.00 0.00 61.69 60.37 2gxg s THR 97 Cb -0.31 -2.87 0.19 0.00 1.34 0.00 0.00 72.50 70.86 2gxg s THR 97 CO 0.39 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 176.25 2gxg h GLU 98 N -0.18 0.92 -0.41 3.99 4.81 -1.89 -0.12 114.58 121.70 2gxg h GLU 98 Ca -0.41 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 2gxg h GLU 98 Cb 1.29 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2gxg h GLU 98 CO 0.50 0.61 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.98 2gxg h LYS 99 N 0.95 0.79 -0.84 1.92 1.63 -1.90 -2.04 116.57 117.07 2gxg h LYS 99 Ca 0.34 -0.30 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2gxg h LYS 99 Cb 0.11 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.65 2gxg h LYS 99 CO -0.15 0.91 0.56 0.78 -3.45 0.00 0.00 179.45 178.10 2gxg h GLY 100 N 0.97 1.19 1.05 5.01 0.00 -1.47 -0.80 103.07 109.01 2gxg h GLY 100 Ca 0.10 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 2gxg h GLY 100 CO 0.05 0.38 -0.12 1.41 0.00 0.00 0.00 176.54 178.27 2gxg h LEU 101 N 1.08 0.93 -0.58 3.11 3.38 -0.73 0.85 115.31 123.35 2gxg h LEU 101 Ca 0.33 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2gxg h LEU 101 Cb -0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2gxg h LEU 101 CO -0.09 1.08 0.37 -0.08 0.09 0.00 0.00 178.44 179.81 2gxg h GLU 102 N 0.77 0.77 -0.24 1.13 4.81 -0.86 -0.53 114.58 120.43 2gxg h GLU 102 Ca 0.12 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 2gxg h GLU 102 Cb 0.67 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2gxg h GLU 102 CO 0.05 0.53 -0.56 1.15 -0.73 0.00 0.00 179.01 179.45 2gxg h THR 103 N 0.78 1.29 -0.31 0.32 2.02 -0.97 -1.79 112.91 114.26 2gxg h THR 103 Ca 0.21 -1.77 0.03 0.00 0.77 0.00 0.00 66.41 65.65 2gxg h THR 103 Cb -0.06 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 2gxg h THR 103 CO -0.04 0.57 0.11 0.15 0.37 0.00 0.00 175.52 176.68 2gxg h PHE 104 N 0.57 0.21 -0.49 3.16 3.57 -0.64 -0.20 116.94 123.12 2gxg h PHE 104 Ca 0.01 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2gxg h PHE 104 Cb 1.14 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2gxg h PHE 104 CO 0.06 0.10 0.10 -0.91 -2.23 0.00 0.00 178.31 175.42 2gxg h ASN 105 N 0.25 0.70 -0.53 0.41 2.35 -0.91 0.11 115.58 117.97 2gxg h ASN 105 Ca 0.13 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 2gxg h ASN 105 Cb 0.09 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2gxg h ASN 105 CO -0.13 0.71 0.17 0.11 -1.65 0.00 0.00 177.43 176.64 2gxg h LYS 106 N 0.72 0.88 -0.66 0.81 1.57 -0.67 -2.36 116.57 116.86 2gxg h LYS 106 Ca 0.16 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2gxg h LYS 106 Cb 0.30 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2gxg h LYS 106 CO 0.00 0.77 0.24 0.78 -0.57 0.00 0.00 179.45 180.66 2gxg h GLY 107 N 0.99 1.07 1.01 3.86 0.00 0.42 -2.28 103.07 108.14 2gxg h GLY 107 Ca 0.19 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 46.92 2gxg h GLY 107 CO -0.01 0.57 0.62 -2.22 0.00 0.00 0.00 176.54 175.50 2gxg h ILE 108 N 0.94 1.25 -0.53 2.60 1.08 -0.60 -0.49 117.51 121.75 2gxg h ILE 108 Ca 0.22 -0.48 -0.08 0.00 -0.39 0.00 0.00 64.86 64.13 2gxg h ILE 108 Cb 0.25 -0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 33.83 2gxg h ILE 108 CO -0.01 0.25 0.01 -0.33 -0.69 0.00 0.00 178.15 177.38 2gxg h GLU 109 N 1.30 0.90 -0.36 2.37 4.39 -1.17 0.83 114.58 122.84 2gxg h GLU 109 Ca 0.35 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2gxg h GLU 109 Cb -0.13 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 2gxg h GLU 109 CO -0.07 0.88 0.17 0.82 -1.16 0.00 0.00 179.01 179.65 2gxg h ILE 110 N 0.83 1.17 -0.53 3.13 2.04 -0.96 -1.73 117.51 121.46 2gxg h ILE 110 Ca 0.16 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2gxg h ILE 110 Cb 0.48 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2gxg h ILE 110 CO 0.02 0.18 0.33 0.22 0.00 0.00 0.00 178.15 178.89 2gxg h TYR 111 N 0.45 0.69 -0.77 1.37 5.03 -0.79 -1.72 116.97 121.23 2gxg h TYR 111 Ca 0.12 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.41 2gxg h TYR 111 Cb 0.12 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.14 2gxg h TYR 111 CO -0.01 0.47 0.37 0.87 -1.32 0.00 0.00 178.16 178.53 2gxg h LYS 112 N 0.71 1.11 -0.46 1.82 1.57 -0.66 0.47 116.57 121.12 2gxg h LYS 112 Ca 0.19 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 2gxg h LYS 112 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2gxg h LYS 112 CO -0.04 0.86 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.31 2gxg h LYS 113 N 1.08 0.93 -0.38 3.15 3.64 -1.05 0.40 116.57 124.34 2gxg h LYS 113 Ca 0.26 -0.38 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 2gxg h LYS 113 Cb 0.12 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2gxg h LYS 113 CO -0.03 1.04 -0.07 1.25 -2.27 0.00 0.00 179.45 179.37 2gxg h LEU 114 N 0.78 0.73 -0.91 5.20 5.85 -0.93 -1.96 115.31 124.07 2gxg h LEU 114 Ca 0.11 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.49 2gxg h LEU 114 Cb 0.73 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2gxg h LEU 114 CO 0.06 0.91 0.60 0.00 -0.34 0.00 0.00 178.44 179.67 2gxg h ALA 115 N 0.84 1.17 -0.74 1.25 0.00 -0.69 -1.13 119.26 119.97 2gxg h ALA 115 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2gxg h ALA 115 Cb 0.58 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2gxg h ALA 115 CO 0.03 0.53 0.30 -0.91 0.00 0.00 0.00 179.25 179.20 2gxg h ASN 116 N 1.21 1.01 0.03 0.00 2.35 -0.71 -1.58 115.58 117.89 2gxg h ASN 116 Ca 0.34 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2gxg h ASN 116 Cb -0.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 37.98 2gxg h ASN 116 CO -0.08 0.90 -0.10 -0.33 -1.65 0.00 0.00 177.43 176.17 2gxg h GLU 117 N 1.06 -0.18 0.00 0.81 5.08 -0.77 -2.88 114.58 117.71 2gxg h GLU 117 Ca 0.25 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 2gxg h GLU 117 Cb 0.20 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2gxg h GLU 117 CO -0.02 -0.12 -0.51 -0.39 -1.00 0.00 0.00 179.01 176.97 2gxg h VAL 118 N -0.18 0.93 -0.47 3.13 -1.51 -1.00 -2.35 116.25 114.80 2gxg h VAL 118 Ca 0.03 -2.13 0.00 0.00 -1.23 0.00 0.00 66.70 63.37 2gxg h VAL 118 Cb 0.21 2.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 2gxg h VAL 118 CO -0.08 0.50 0.00 0.35 -1.23 0.00 0.00 177.57 177.11 2gxg n THR 119 N -3.31 1.22 0.25 7.19 -2.24 -0.61 -4.67 114.28 112.10 2gxg n THR 119 Ca 0.01 -0.81 0.13 0.00 -2.27 0.00 0.00 64.05 61.12 2gxg n THR 119 Cb 0.69 0.05 0.62 0.00 -2.10 0.00 0.00 70.33 69.59 2gxg n THR 119 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2gxg h GLY 120 N 4.64 0.00 2.00 3.38 0.00 -1.18 -1.12 103.07 110.79 2gxg h GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gxg h GLY 120 CO 0.15 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.91 2gxg n ASP 121 N -3.34 0.39 -4.79 0.19 8.00 -1.26 -4.78 116.55 110.96 2gxg n ASP 121 Ca -0.00 0.58 -0.36 0.00 0.71 0.00 0.00 54.79 55.72 2gxg n ASP 121 Cb 0.34 -0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 40.69 2gxg n ASP 121 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2gxg s LEU 122 N -3.83 4.26 0.86 0.64 1.43 -0.43 -5.10 118.68 116.51 2gxg s LEU 122 Ca 0.07 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 2gxg s LEU 122 Cb 0.11 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.36 2gxg s LEU 122 CO 0.39 0.27 1.09 -0.94 0.23 0.00 0.00 176.35 177.39 2gxg s SER 123 N -0.21 3.76 0.40 2.29 1.04 -1.26 -4.78 113.70 114.94 2gxg s SER 123 Ca 0.11 1.61 0.11 0.00 0.48 0.00 0.00 55.95 58.25 2gxg s SER 123 Cb -0.11 -2.29 0.91 0.00 0.10 0.00 0.00 66.02 64.63 2gxg s SER 123 CO 0.01 -2.48 1.96 -0.33 0.98 0.00 0.00 173.24 173.38 2gxg h GLU 124 N -1.44 0.54 -0.40 4.02 4.39 -1.98 -0.50 114.58 119.20 2gxg h GLU 124 Ca -0.48 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.10 2gxg h GLU 124 Cb 1.27 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 2gxg h GLU 124 CO 0.53 0.35 -0.11 -0.44 -1.16 0.00 0.00 179.01 178.18 2gxg h ASP 125 N 0.55 0.80 -0.59 1.42 3.32 -2.00 -1.94 116.42 117.98 2gxg h ASP 125 Ca 0.30 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 2gxg h ASP 125 Cb 0.45 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2gxg h ASP 125 CO -0.10 0.99 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.06 2gxg h GLU 126 N 0.60 1.05 -0.71 3.56 5.08 -1.72 -2.02 114.58 120.43 2gxg h GLU 126 Ca 0.10 -0.34 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2gxg h GLU 126 Cb 0.65 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2gxg h GLU 126 CO 0.04 1.04 0.38 0.28 -1.00 0.00 0.00 179.01 179.75 2gxg h VAL 127 N 0.96 0.92 -0.47 3.13 2.07 -0.94 -1.25 116.25 120.66 2gxg h VAL 127 Ca 0.17 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 2gxg h VAL 127 Cb 0.57 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2gxg h VAL 127 CO 0.03 0.12 -0.24 0.40 0.02 0.00 0.00 177.57 177.90 2gxg h ILE 128 N 0.68 1.27 -0.57 4.57 2.04 -0.98 -1.14 117.51 123.37 2gxg h ILE 128 Ca 0.33 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 2gxg h ILE 128 Cb 0.27 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2gxg h ILE 128 CO -0.22 0.49 0.34 -0.07 0.00 0.00 0.00 178.15 178.69 2gxg h LEU 129 N 0.85 0.69 -0.06 1.44 3.38 -0.96 -2.40 115.31 118.25 2gxg h LEU 129 Ca 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2gxg h LEU 129 Cb 0.83 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2gxg h LEU 129 CO 0.07 0.56 0.00 0.58 0.09 0.00 0.00 178.44 179.74 2gxg h VAL 130 N 0.77 1.24 -0.64 1.22 2.07 -1.13 -3.17 116.25 116.61 2gxg h VAL 130 Ca 0.20 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 67.02 2gxg h VAL 130 Cb -0.01 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2gxg h VAL 130 CO -0.04 0.21 0.38 0.25 0.02 0.00 0.00 177.57 178.38 2gxg h LEU 131 N -0.18 0.59 -0.86 2.57 5.85 -1.08 -1.75 115.31 120.45 2gxg h LEU 131 Ca 0.02 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 2gxg h LEU 131 Cb 0.32 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2gxg h LEU 131 CO 0.00 0.39 -0.25 0.44 -0.34 0.00 0.00 178.44 178.69 2gxg h ASP 132 N 0.72 0.57 -0.06 1.25 3.32 -1.47 -2.28 116.42 118.47 2gxg h ASP 132 Ca 0.27 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2gxg h ASP 132 Cb 0.10 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2gxg h ASP 132 CO -0.14 0.81 -0.30 0.11 -1.72 0.00 0.00 179.24 178.00 2gxg h LYS 133 N 0.50 0.31 0.00 3.56 1.57 -1.48 -3.22 116.57 117.81 2gxg h LYS 133 Ca 0.07 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2gxg h LYS 133 Cb 0.70 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2gxg h LYS 133 CO 0.05 0.90 -0.04 -0.84 -0.57 0.00 0.00 179.45 178.95 2gxg h ILE 134 N -0.19 0.15 -0.23 1.86 3.07 -1.28 -1.69 117.51 119.19 2gxg h ILE 134 Ca -0.02 -0.48 -0.02 0.00 1.55 0.00 0.00 64.86 65.90 2gxg h ILE 134 Cb 0.95 1.41 -0.01 0.00 -0.27 0.00 0.00 36.82 38.89 2gxg h ILE 134 CO 0.06 0.04 0.06 0.28 -1.05 0.00 0.00 178.15 177.54 2gxg h SER 135 N 0.00 0.29 0.08 2.16 0.02 -1.42 -0.81 113.55 113.88 2gxg h SER 135 Ca -0.00 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 2gxg h SER 135 Cb 0.40 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2gxg h SER 135 CO 0.01 0.30 -0.60 0.11 -1.14 0.00 0.00 176.83 175.50 2gxg h LYS 136 N 0.33 0.52 -0.28 3.45 1.57 -1.35 -1.96 116.57 118.83 2gxg h LYS 136 Ca 0.08 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2gxg h LYS 136 Cb 0.13 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2gxg h LYS 136 CO -0.00 0.97 0.14 0.82 -0.57 0.00 0.00 179.45 180.80 2gxg h ILE 137 N 0.39 1.15 -0.44 1.86 2.04 -1.39 -2.25 117.51 118.86 2gxg h ILE 137 Ca -0.00 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.50 2gxg h ILE 137 Cb 1.15 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2gxg h ILE 137 CO 0.11 0.15 0.13 0.25 0.00 0.00 0.00 178.15 178.79 2gxg h LEU 138 N 0.33 0.11 -0.80 1.44 5.85 -1.09 -1.34 115.31 119.81 2gxg h LEU 138 Ca 0.10 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.92 2gxg h LEU 138 Cb 0.11 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2gxg h LEU 138 CO -0.01 0.10 0.50 0.50 -0.34 0.00 0.00 178.44 179.19 2gxg h LYS 139 N 0.29 0.94 -0.14 1.25 3.64 -1.10 -1.68 116.57 119.76 2gxg h LYS 139 Ca 0.21 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2gxg h LYS 139 Cb 0.22 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2gxg h LYS 139 CO -0.23 0.62 -0.16 0.00 -2.27 0.00 0.00 179.45 177.41 2gxg h ARG 140 N 0.97 0.37 -0.17 1.90 2.47 -0.94 -2.36 114.38 116.61 2gxg h ARG 140 Ca 0.33 -0.20 -0.06 0.00 -1.26 0.00 0.00 59.98 58.79 2gxg h ARG 140 Cb 0.05 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2gxg h ARG 140 CO -0.13 0.76 -0.15 0.97 0.56 0.00 0.00 179.97 181.98 2gxg h ILE 141 N -0.01 1.20 -0.12 2.04 6.09 -1.14 -0.91 117.51 124.66 2gxg h ILE 141 Ca 0.02 -0.90 -0.12 0.00 -1.37 0.00 0.00 64.86 62.49 2gxg h ILE 141 Cb 0.70 1.24 -0.01 0.00 0.47 0.00 0.00 36.82 39.22 2gxg h ILE 141 CO 0.04 0.28 -0.43 -0.33 -3.07 0.00 0.00 178.15 174.64 2gxg h GLU 142 N 0.27 0.28 -0.24 2.19 5.08 -1.27 0.13 114.58 121.03 2gxg h GLU 142 Ca 0.05 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2gxg h GLU 142 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2gxg h GLU 142 CO 0.03 0.67 0.12 0.93 -1.00 0.00 0.00 179.01 179.75 2gxg h GLU 143 N 0.23 0.34 -0.33 2.33 5.08 -0.84 -3.25 114.58 118.14 2gxg h GLU 143 Ca 0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2gxg h GLU 143 Cb 0.86 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2gxg h GLU 143 CO 0.07 0.33 -0.08 0.82 -1.00 0.00 0.00 179.01 179.15 2gxg h ILE 144 N 0.25 1.28 0.00 3.13 2.04 -0.86 -3.52 117.51 119.83 2gxg h ILE 144 Ca 0.08 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2gxg h ILE 144 Cb 0.11 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2gxg h ILE 144 CO -0.01 0.37 0.00 -1.20 0.00 0.00 0.00 178.15 177.31