#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gor h ARG 3 N 0.00 -0.01 -0.64 4.33 3.08 -1.95 -2.73 114.38 116.46 3gor h ARG 3 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 3gor h ARG 3 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 3gor h ARG 3 CO 0.00 0.25 -0.20 0.00 -1.07 0.00 0.00 179.97 178.95 3gor h ALA 4 N 0.74 0.33 -0.30 0.04 0.00 -1.88 0.43 119.26 118.62 3gor h ALA 4 Ca -0.00 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3gor h ALA 4 Cb 0.26 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3gor h ALA 4 CO 0.00 -0.47 0.03 -0.22 0.00 0.00 0.00 179.25 178.59 3gor h LYS 5 N -0.04 0.45 -0.09 0.00 3.64 -1.85 0.19 116.57 118.87 3gor h LYS 5 Ca 0.30 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3gor h LYS 5 Cb 0.50 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3gor h LYS 5 CO -0.68 0.45 -0.04 0.87 -2.27 0.00 0.00 179.45 177.79 3gor h LYS 6 N 0.44 0.19 -0.94 1.90 1.57 -0.70 -2.09 116.57 116.95 3gor h LYS 6 Ca 0.10 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3gor h LYS 6 Cb 0.24 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3gor h LYS 6 CO 0.00 0.54 0.61 -1.49 -0.57 0.00 0.00 179.45 178.54 3gor h TRP 7 N -0.17 1.19 -0.53 -1.35 4.06 -0.40 -0.69 115.95 118.07 3gor h TRP 7 Ca 0.02 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.95 3gor h TRP 7 Cb 0.48 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 3gor h TRP 7 CO 0.06 0.76 0.16 0.28 -3.56 0.00 0.00 178.44 176.15 3gor h VAL 8 N 1.28 1.23 -0.60 1.49 2.07 -0.60 0.27 116.25 121.39 3gor h VAL 8 Ca 0.34 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 3gor h VAL 8 Cb -0.12 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3gor h VAL 8 CO -0.07 0.29 0.11 -0.61 0.02 0.00 0.00 177.57 177.31 3gor h GLN 9 N 0.73 0.97 -0.28 1.57 4.15 -0.94 0.48 115.11 121.79 3gor h GLN 9 Ca 0.17 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 3gor h GLN 9 Cb 0.28 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3gor h GLN 9 CO -0.00 0.89 0.07 -0.92 -1.93 0.00 0.00 178.83 176.94 3gor h TYR 10 N 0.92 0.47 -0.04 3.99 3.20 -0.77 -1.27 116.97 123.48 3gor h TYR 10 Ca 0.19 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3gor h TYR 10 Cb 0.39 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3gor h TYR 10 CO 0.03 0.51 -0.05 0.35 -1.64 0.00 0.00 178.16 177.36 3gor h PHE 11 N 0.29 -0.13 -0.19 -3.82 3.57 -0.08 -2.94 116.94 113.64 3gor h PHE 11 Ca 0.09 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3gor h PHE 11 Cb 0.28 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3gor h PHE 11 CO 0.01 -0.08 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.78 3gor h LEU 12 N -0.08 0.29 -2.14 0.59 4.07 -0.85 0.13 115.31 117.32 3gor h LEU 12 Ca 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 3gor h LEU 12 Cb 0.13 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 3gor h LEU 12 CO -0.08 0.47 -0.05 0.77 -1.08 0.00 0.00 178.44 178.47 3gor h SER 13 N 0.29 0.00 0.00 -0.43 4.64 -1.04 -0.64 113.55 116.37 3gor h SER 13 Ca 0.05 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.98 3gor h SER 13 Cb 0.44 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.48 3gor h SER 13 CO 0.03 0.05 -2.13 1.41 -0.87 0.00 0.00 176.83 175.32 3gor n HIS 14 N -4.04 0.34 0.18 4.77 8.25 -0.94 -0.89 115.22 122.89 3gor n HIS 14 Ca -0.03 0.15 0.09 0.00 -0.26 0.00 0.00 57.72 57.67 3gor n HIS 14 Cb 0.14 -1.03 0.62 0.00 1.12 0.00 0.00 29.99 30.83 3gor n HIS 14 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3gor h ARG 15 N -1.00 0.08 -0.82 -0.41 9.65 -0.64 -0.41 114.38 120.84 3gor h ARG 15 Ca -0.59 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.25 3gor h ARG 15 Cb 1.52 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 30.04 3gor h ARG 15 CO -0.36 0.05 0.36 0.45 2.80 0.00 0.00 179.97 183.28 3gor h HIS 16 N 0.08 1.21 -0.48 2.20 3.86 -1.35 -2.16 115.15 118.52 3gor h HIS 16 Ca 0.07 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3gor h HIS 16 Cb 0.16 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 3gor h HIS 16 CO -0.00 0.90 0.07 0.28 0.86 0.00 0.00 177.93 180.04 3gor h VAL 17 N 1.18 1.25 0.00 2.45 2.07 -1.31 -1.42 116.25 120.46 3gor h VAL 17 Ca 0.28 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3gor h VAL 17 Cb 0.17 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3gor h VAL 17 CO -0.03 0.33 0.00 0.41 0.02 0.00 0.00 177.57 178.30 3gor n THR 18 N -4.43 0.00 0.00 2.57 -1.04 -0.75 -1.25 114.28 109.37 3gor n THR 18 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3gor n THR 18 Cb 0.26 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 3gor n THR 18 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3gor n GLU 20 N 0.41 0.00 -0.12 -2.82 2.13 -0.54 -1.02 120.64 118.69 3gor n GLU 20 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3gor n GLU 20 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 3gor n GLU 20 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3gor h LEU 21 N 0.00 0.48 -1.12 4.31 3.38 -1.46 -2.95 115.31 117.96 3gor h LEU 21 Ca 0.00 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3gor h LEU 21 Cb 0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3gor h LEU 21 CO 0.00 0.47 0.60 0.40 0.09 0.00 0.00 178.44 180.00 3gor h ILE 22 N 0.46 1.07 0.00 1.22 2.04 -1.33 -1.47 117.51 119.50 3gor h ILE 22 Ca 0.13 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3gor h ILE 22 Cb 0.12 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3gor h ILE 22 CO -0.02 0.19 -0.06 0.45 0.00 0.00 0.00 178.15 178.72 3gor h HIS 23 N 1.06 0.00 0.00 1.37 3.86 -1.80 -1.72 115.15 117.92 3gor h HIS 23 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 3gor h HIS 23 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3gor h HIS 23 CO -0.00 0.06 0.00 1.63 0.86 0.00 0.00 177.93 180.48 3gor n LYS 24 N -3.40 0.20 -3.22 2.45 5.02 -0.55 -4.67 118.16 113.99 3gor n LYS 24 Ca -0.02 0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 3gor n LYS 24 Cb 0.20 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.64 3gor n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gor s ILE 25 N -2.79 4.97 0.57 -0.18 1.01 -0.65 -5.05 121.20 119.08 3gor s ILE 25 Ca 0.20 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 3gor s ILE 25 Cb 0.19 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3gor s ILE 25 CO 0.48 -0.71 0.93 1.51 0.00 0.00 0.00 174.94 177.14 3gor s ASP 26 N 2.56 6.09 0.50 3.58 -4.77 -1.26 -4.91 116.67 118.45 3gor s ASP 26 Ca 0.13 1.12 0.29 0.00 -3.30 0.00 0.00 52.55 50.78 3gor s ASP 26 Cb -0.20 -2.24 1.38 0.00 -1.09 0.00 0.00 42.92 40.78 3gor s ASP 26 CO 0.11 -0.83 1.83 -0.33 0.70 0.00 0.00 175.17 176.66 3gor h GLU 27 N -0.13 0.12 0.00 2.11 4.39 -1.99 0.22 114.58 119.31 3gor h GLU 27 Ca -0.45 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 3gor h GLU 27 Cb 1.21 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3gor h GLU 27 CO 0.62 0.08 -0.11 0.00 -1.16 0.00 0.00 179.01 178.45 3gor h ALA 28 N 1.53 1.37 -0.27 3.43 0.00 -2.02 -2.34 119.26 120.97 3gor h ALA 28 Ca 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3gor h ALA 28 Cb 1.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3gor h ALA 28 CO -0.09 0.13 0.00 0.72 0.00 0.00 0.00 179.25 180.01 3gor n HIS 29 N -3.76 0.34 -0.33 0.00 8.25 0.77 -4.59 115.22 115.90 3gor n HIS 29 Ca -0.02 -0.28 0.23 0.00 -0.26 0.00 0.00 57.72 57.39 3gor n HIS 29 Cb 0.21 -0.01 0.50 0.00 1.12 0.00 0.00 29.99 31.81 3gor n HIS 29 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3gor h TYR 30 N 2.77 0.68 -0.61 4.41 -1.99 -1.24 -0.64 116.97 120.35 3gor h TYR 30 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3gor h TYR 30 Cb 0.72 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.26 3gor h TYR 30 CO 0.17 0.06 0.00 -0.40 -0.00 0.00 0.00 178.16 177.99 3gor n ASP 31 N -4.64 4.16 -4.75 3.88 5.75 -1.26 -0.35 116.55 119.33 3gor n ASP 31 Ca 0.26 -2.26 -0.41 0.00 -0.01 0.00 0.00 54.79 52.37 3gor n ASP 31 Cb 0.88 -0.49 0.01 0.00 -1.03 0.00 0.00 41.12 40.49 3gor n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gor n TYR 32 N 1.11 2.71 -3.74 2.11 9.36 -0.25 -4.68 117.16 123.78 3gor n TYR 32 Ca 0.23 0.46 -0.16 0.00 3.32 0.00 0.00 57.90 61.75 3gor n TYR 32 Cb 0.73 -2.48 -0.16 0.00 -0.63 0.00 0.00 39.34 36.80 3gor n TYR 32 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3gor s LYS 33 N -2.23 -0.01 0.34 2.98 1.02 -1.26 -1.09 119.74 119.48 3gor s LYS 33 Ca 0.57 0.28 0.04 0.00 0.02 0.00 0.00 55.97 56.89 3gor s LYS 33 Cb -0.48 -0.28 0.60 0.00 -0.52 0.00 0.00 37.83 37.15 3gor s LYS 33 CO 0.61 -0.20 1.88 -1.35 -0.92 0.00 0.00 175.35 175.36 3gor h PRO 34 N 7.53 0.54 -4.79 -1.68 0.11 -1.95 -3.44 132.00 128.32 3gor h PRO 34 Ca -0.38 -0.11 -0.27 0.00 0.11 0.00 0.00 66.00 65.35 3gor h PRO 34 Cb 1.12 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.01 3gor h PRO 34 CO 0.40 0.56 -0.68 0.95 -0.21 0.00 0.00 178.00 179.01 3gor s THR 35 N -5.00 0.77 0.42 -1.15 -4.23 -1.26 -5.04 115.64 100.15 3gor s THR 35 Ca -0.08 -1.98 0.29 0.00 -1.18 0.00 0.00 61.69 58.75 3gor s THR 35 Cb 0.15 -1.92 0.31 0.00 1.34 0.00 0.00 72.50 72.39 3gor s THR 35 CO 0.77 -0.66 2.09 -0.65 -0.54 0.00 0.00 174.62 175.63 3gor h PRO 36 N 2.80 0.00 -0.56 3.99 0.11 -2.04 -2.62 132.00 133.67 3gor h PRO 36 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gor h PRO 36 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gor h PRO 36 CO 0.64 0.10 0.00 0.25 -0.21 0.00 0.00 178.00 178.77 3gor n THR 37 N -3.57 0.91 0.00 -1.15 -2.24 -1.26 -5.13 114.28 101.84 3gor n THR 37 Ca -0.02 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3gor n THR 37 Cb 0.22 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3gor n THR 37 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gor n SER 38 N 1.29 0.00 -4.81 3.42 7.64 -0.99 -5.16 113.62 115.01 3gor n SER 38 Ca 0.20 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.86 3gor n SER 38 Cb 0.56 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.71 3gor n SER 38 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gor s THR 40 N 1.72 4.35 0.23 0.44 -4.23 -1.26 -4.90 115.64 111.99 3gor s THR 40 Ca 0.00 -1.45 -0.06 0.00 -1.18 0.00 0.00 61.69 59.00 3gor s THR 40 Cb 0.00 -3.35 0.19 0.00 1.34 0.00 0.00 72.50 70.68 3gor s THR 40 CO 0.00 -0.35 1.79 0.00 -0.54 0.00 0.00 174.62 175.52 3gor h ALA 41 N 1.53 1.05 -0.69 3.99 0.00 -1.04 -0.21 119.26 123.88 3gor h ALA 41 Ca -0.48 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3gor h ALA 41 Cb 1.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3gor h ALA 41 CO 0.61 0.01 0.15 -0.22 0.00 0.00 0.00 179.25 179.80 3gor h LYS 42 N 0.67 1.11 -0.68 0.00 3.64 -0.96 -1.37 116.57 118.98 3gor h LYS 42 Ca 0.36 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3gor h LYS 42 Cb 0.36 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3gor h LYS 42 CO -0.26 0.99 0.31 1.96 -2.27 0.00 0.00 179.45 180.18 3gor h GLN 43 N 1.04 0.99 0.10 1.90 4.20 -1.59 -1.50 115.11 120.24 3gor h GLN 43 Ca 0.21 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3gor h GLN 43 Cb 0.39 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3gor h GLN 43 CO 0.01 0.80 -0.05 1.25 -0.67 0.00 0.00 178.83 180.17 3gor h LEU 44 N 0.95 -0.11 -1.06 1.46 5.85 -0.76 -0.00 115.31 121.64 3gor h LEU 44 Ca 0.23 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3gor h LEU 44 Cb 0.15 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3gor h LEU 44 CO -0.03 0.12 0.40 0.00 -0.34 0.00 0.00 178.44 178.60 3gor h ALA 45 N 0.54 1.28 -0.24 1.25 0.00 -1.24 -2.68 119.26 118.17 3gor h ALA 45 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3gor h ALA 45 Cb 0.29 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gor h ALA 45 CO 0.02 0.58 -0.22 1.15 0.00 0.00 0.00 179.25 180.78 3gor h THR 46 N 1.06 1.32 0.00 0.00 2.02 -1.13 -2.39 112.91 113.79 3gor h THR 46 Ca 0.27 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 66.07 3gor h THR 46 Cb 0.05 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3gor h THR 46 CO -0.04 0.43 0.00 1.57 0.37 0.00 0.00 175.52 177.85 3gor n HIS 47 N -4.38 0.00 0.00 3.16 -0.00 -0.03 -1.16 115.22 112.81 3gor n HIS 47 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 3gor n HIS 47 Cb 0.42 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 3gor n HIS 47 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3gor n LEU 49 N 0.74 0.00 -0.03 0.27 4.77 -0.90 -0.96 117.00 120.89 3gor n LEU 49 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3gor n LEU 49 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3gor n LEU 49 CO 0.00 0.00 0.40 -0.26 -1.33 0.00 0.00 177.39 176.20 3gor h PHE 50 N 0.00 0.63 -0.53 -1.77 0.04 -1.42 -2.39 116.94 111.50 3gor h PHE 50 Ca 0.00 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.53 3gor h PHE 50 Cb 0.00 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 3gor h PHE 50 CO 0.00 1.03 0.30 0.66 -0.60 0.00 0.00 178.31 179.70 3gor h SER 51 N 0.05 0.48 -0.36 2.17 4.64 -1.27 -1.12 113.55 118.14 3gor h SER 51 Ca -0.02 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3gor h SER 51 Cb 1.07 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3gor h SER 51 CO 0.09 0.34 0.05 0.15 -0.87 0.00 0.00 176.83 176.58 3gor h PHE 52 N 0.60 0.64 -0.75 4.77 3.04 -1.77 -1.34 116.94 122.13 3gor h PHE 52 Ca 0.22 -0.09 0.17 0.00 3.98 0.00 0.00 57.97 62.24 3gor h PHE 52 Cb 0.05 -0.17 -0.12 0.00 2.56 0.00 0.00 35.95 38.27 3gor h PHE 52 CO -0.07 0.67 0.15 -0.92 -2.02 0.00 0.00 178.31 176.12 3gor h TYR 53 N 0.43 0.23 -0.77 0.41 3.20 -1.06 -0.34 116.97 119.07 3gor h TYR 53 Ca 0.11 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 3gor h TYR 53 Cb 0.38 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 3gor h TYR 53 CO 0.03 -0.13 0.30 -0.91 -1.64 0.00 0.00 178.16 175.81 3gor h ASN 54 N 0.23 1.06 0.19 -2.11 2.35 -0.27 0.24 115.58 117.27 3gor h ASN 54 Ca 0.43 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3gor h ASN 54 Cb 0.76 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3gor h ASN 54 CO -0.55 0.94 -0.09 -0.26 -1.65 0.00 0.00 177.43 175.81 3gor h PHE 55 N 1.12 -0.24 -0.21 1.19 0.04 -0.39 -0.64 116.94 117.81 3gor h PHE 55 Ca 0.26 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 3gor h PHE 55 Cb 0.22 0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3gor h PHE 55 CO 0.02 -0.12 0.10 0.00 -0.60 0.00 0.00 178.31 177.70 3gor h ALA 56 N 0.51 0.27 -0.39 2.45 0.00 -0.88 0.81 119.26 122.03 3gor h ALA 56 Ca -0.03 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3gor h ALA 56 Cb 0.22 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 3gor h ALA 56 CO 0.04 -0.16 -0.11 -0.97 0.00 0.00 0.00 179.25 178.06 3gor h ASN 57 N 0.21 -0.39 -0.62 0.00 -1.24 -0.49 0.30 115.58 113.35 3gor h ASN 57 Ca 0.07 0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.17 3gor h ASN 57 Cb 0.13 0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 3gor h ASN 57 CO -0.01 -0.14 0.25 0.74 -1.29 0.00 0.00 177.43 176.98 3gor h THR 58 N -0.01 1.23 -0.25 -3.57 2.02 -0.86 -2.47 112.91 109.00 3gor h THR 58 Ca 0.19 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 3gor h THR 58 Cb 0.30 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3gor h THR 58 CO -0.41 0.29 0.04 0.00 0.37 0.00 0.00 175.52 175.80 3gor h ALA 59 N 1.10 0.33 -0.53 6.16 0.00 -0.08 0.34 119.26 126.58 3gor h ALA 59 Ca 0.21 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gor h ALA 59 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3gor h ALA 59 CO -0.02 0.02 0.32 -0.22 0.00 0.00 0.00 179.25 179.35 3gor h LYS 60 N 0.22 0.63 -0.45 0.00 3.11 -0.34 -2.70 116.57 117.03 3gor h LYS 60 Ca 0.08 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 3gor h LYS 60 Cb 0.33 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 3gor h LYS 60 CO 0.01 0.41 0.00 0.72 -2.81 0.00 0.00 179.45 177.78 3gor n HIS 61 N -4.77 0.59 -2.22 1.91 8.25 -0.94 -4.92 115.22 113.12 3gor n HIS 61 Ca 0.04 -0.30 -0.10 0.00 -0.26 0.00 0.00 57.72 57.10 3gor n HIS 61 Cb 0.07 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 3gor n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gor n GLY 62 N 1.46 -0.21 3.07 -1.41 0.00 0.05 -4.91 105.19 103.24 3gor n GLY 62 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3gor n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gor s ASP 63 N -1.99 4.80 0.58 1.61 -1.08 -0.81 -4.96 116.67 114.83 3gor s ASP 63 Ca 0.00 -1.82 0.27 0.00 -0.52 0.00 0.00 52.55 50.48 3gor s ASP 63 Cb 0.00 -1.66 1.71 0.00 -1.46 0.00 0.00 42.92 41.51 3gor s ASP 63 CO 0.00 -0.35 2.23 -0.65 0.52 0.00 0.00 175.17 176.92 3gor h PRO 64 N 7.79 0.00 -0.36 4.34 0.11 -1.88 -2.56 132.00 139.44 3gor h PRO 64 Ca -0.12 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 3gor h PRO 64 Cb 1.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3gor h PRO 64 CO 0.54 0.00 -0.00 0.66 -0.21 0.00 0.00 178.00 178.99 3gor h SER 65 N 0.00 0.53 -0.13 -2.05 4.64 -1.94 -2.46 113.55 112.15 3gor h SER 65 Ca 0.01 -0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3gor h SER 65 Cb 0.03 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3gor h SER 65 CO -0.00 0.60 0.16 -0.07 -0.87 0.00 0.00 176.83 176.65 3gor h LEU 66 N 0.54 0.00 -0.50 5.97 3.38 -1.85 -3.31 115.31 119.54 3gor h LEU 66 Ca 0.11 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3gor h LEU 66 Cb 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3gor h LEU 66 CO 0.01 0.00 0.27 0.15 0.09 0.00 0.00 178.44 178.96 3gor h PHE 67 N 0.00 0.49 -0.49 1.13 3.57 -1.60 -2.37 116.94 117.67 3gor h PHE 67 Ca 0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3gor h PHE 67 Cb 0.37 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3gor h PHE 67 CO 0.00 0.26 0.03 0.54 -2.23 0.00 0.00 178.31 176.91 3gor n ARG 68 N -4.86 4.06 -1.69 1.11 1.74 -1.24 -4.82 116.66 110.94 3gor n ARG 68 Ca 0.04 -3.06 -0.42 0.00 -0.77 0.00 0.00 57.85 53.64 3gor n ARG 68 Cb 0.11 -2.12 -0.03 0.00 -1.02 0.00 0.00 32.46 29.40 3gor n ARG 68 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3gor s GLN 69 N -2.84 4.14 0.15 5.56 0.74 -0.89 -4.93 119.66 121.58 3gor s GLN 69 Ca 0.51 2.60 -0.31 0.00 0.05 0.00 0.00 55.36 58.21 3gor s GLN 69 Cb 0.40 -3.94 -0.08 0.00 1.10 0.00 0.00 33.01 30.49 3gor s GLN 69 CO 0.13 -0.91 1.40 0.21 -0.55 0.00 0.00 175.29 175.57 3gor s LYS 70 N 3.78 4.32 -0.26 1.67 2.20 -1.26 -5.00 119.74 125.19 3gor s LYS 70 Ca 0.85 2.12 -0.14 0.00 -0.36 0.00 0.00 55.97 58.44 3gor s LYS 70 Cb -0.44 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3gor s LYS 70 CO 0.39 -0.42 0.34 0.42 -0.36 0.00 0.00 175.35 175.72 3gor s ILE 71 N 0.84 5.21 -0.29 5.43 1.01 -1.26 -5.05 121.20 127.10 3gor s ILE 71 Ca 0.63 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.73 3gor s ILE 71 Cb -0.38 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.43 3gor s ILE 71 CO 0.33 0.20 0.07 -0.70 0.00 0.00 0.00 174.94 174.83 3gor s GLU 72 N 1.84 3.11 -0.05 2.79 2.12 -1.26 -5.08 118.70 122.17 3gor s GLU 72 Ca 0.14 -0.84 -0.00 0.00 0.36 0.00 0.00 54.97 54.63 3gor s GLU 72 Cb -0.15 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 30.93 3gor s GLU 72 CO 0.09 -0.42 -0.01 -2.00 -0.54 0.00 0.00 175.26 172.39 3gor s GLU 73 N 1.49 0.52 0.00 4.30 2.56 -1.26 -5.02 118.70 121.29 3gor s GLU 73 Ca 0.03 0.06 0.29 0.00 0.00 0.00 0.00 54.97 55.35 3gor s GLU 73 Cb -0.17 -0.76 1.26 0.00 2.00 0.00 0.00 34.13 36.46 3gor s GLU 73 CO 0.02 -0.20 1.94 -2.30 -0.56 0.00 0.00 175.26 174.16 3gor n PRO 74 N 4.57 0.03 -0.24 4.30 -0.02 -1.26 -4.62 135.00 137.76 3gor n PRO 74 Ca -0.17 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.33 3gor n PRO 74 Cb 0.50 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.58 3gor n PRO 74 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gor h GLU 75 N 0.00 0.03 0.00 -0.52 4.57 -2.02 -3.45 114.58 113.19 3gor h GLU 75 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gor h GLU 75 Cb 0.48 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3gor h GLU 75 CO 0.00 0.02 0.00 2.41 -1.18 0.00 0.00 179.01 180.26 3gor n THR 76 N -5.43 0.00 -2.17 0.32 -1.04 -1.26 -4.89 114.28 99.81 3gor n THR 76 Ca 0.10 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.68 3gor n THR 76 Cb 0.39 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.87 3gor n THR 76 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3gor s ASN 77 N 0.00 6.13 0.13 8.00 3.84 -1.26 -4.93 114.94 126.86 3gor s ASN 77 Ca 0.00 1.09 -0.27 0.00 0.21 0.00 0.00 52.86 53.89 3gor s ASN 77 Cb 0.00 -2.53 -0.03 0.00 -0.55 0.00 0.00 41.25 38.13 3gor s ASN 77 CO 0.00 -1.55 1.60 -0.07 -2.79 0.00 0.00 177.10 174.29 3gor h LEU 78 N 12.85 -1.12 -0.63 3.21 3.38 -1.96 -1.42 115.31 129.63 3gor h LEU 78 Ca -0.31 0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.93 3gor h LEU 78 Cb 1.14 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 42.27 3gor h LEU 78 CO 1.06 -0.39 0.20 0.00 0.09 0.00 0.00 178.44 179.40 3gor h ALA 79 N 0.30 0.80 -0.31 1.53 0.00 -1.91 0.46 119.26 120.13 3gor h ALA 79 Ca 0.09 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3gor h ALA 79 Cb 0.58 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3gor h ALA 79 CO -0.37 -0.23 -0.00 -0.22 0.00 0.00 0.00 179.25 178.42 3gor h LYS 80 N 0.36 0.54 -0.81 0.00 3.64 -1.91 -1.74 116.57 116.65 3gor h LYS 80 Ca 0.33 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 3gor h LYS 80 Cb 0.45 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 3gor h LYS 80 CO -0.35 0.69 0.46 1.25 -2.27 0.00 0.00 179.45 179.23 3gor h LEU 81 N 0.34 0.66 0.05 5.20 5.85 -0.32 -1.15 115.31 125.94 3gor h LEU 81 Ca 0.09 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gor h LEU 81 Cb 0.44 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3gor h LEU 81 CO 0.02 0.38 -0.02 0.00 -0.34 0.00 0.00 178.44 178.47 3gor h ALA 82 N 1.45 -0.07 -0.68 1.25 0.00 0.33 -1.68 119.26 119.86 3gor h ALA 82 Ca 0.39 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 3gor h ALA 82 Cb 0.35 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3gor h ALA 82 CO -0.24 -0.53 0.16 0.93 0.00 0.00 0.00 179.25 179.57 3gor h GLU 83 N -0.09 1.07 0.34 0.00 5.08 -1.04 -0.46 114.58 119.48 3gor h GLU 83 Ca -0.01 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3gor h GLU 83 Cb 0.08 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3gor h GLU 83 CO 0.01 0.95 -0.18 1.15 -1.00 0.00 0.00 179.01 179.94 3gor h THR 84 N 1.02 0.64 0.00 1.13 2.02 -1.01 -2.04 112.91 114.67 3gor h THR 84 Ca 0.21 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.28 3gor h THR 84 Cb 0.36 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3gor h THR 84 CO 0.00 0.00 -0.54 1.88 0.37 0.00 0.00 175.52 177.23 3gor h TYR 85 N -0.48 0.00 -0.58 3.16 0.05 -1.22 -1.72 116.97 116.18 3gor h TYR 85 Ca -0.04 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 3gor h TYR 85 Cb 0.37 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3gor h TYR 85 CO -0.06 0.54 0.05 1.15 -1.05 0.00 0.00 178.16 178.79 3gor h THR 86 N 0.00 1.25 -0.32 -2.88 2.02 -1.03 -0.14 112.91 111.81 3gor h THR 86 Ca -0.01 -1.03 -0.16 0.00 0.77 0.00 0.00 66.41 65.98 3gor h THR 86 Cb 1.18 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3gor h THR 86 CO 0.07 0.38 -0.42 -0.08 0.37 0.00 0.00 175.52 175.84 3gor h GLU 87 N 0.90 0.85 -0.52 6.66 4.57 -1.05 -0.41 114.58 125.58 3gor h GLU 87 Ca 0.18 -0.49 -0.02 0.00 -1.18 0.00 0.00 59.36 57.85 3gor h GLU 87 Cb 0.46 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3gor h GLU 87 CO 0.02 1.12 0.23 0.87 -1.18 0.00 0.00 179.01 180.07 3gor h LYS 88 N 0.63 0.76 -0.36 1.92 1.57 -1.20 -1.61 116.57 118.28 3gor h LYS 88 Ca 0.04 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3gor h LYS 88 Cb 1.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3gor h LYS 88 CO 0.10 0.65 0.04 1.15 -0.57 0.00 0.00 179.45 180.81 3gor h THR 89 N 0.70 1.25 -0.51 -0.16 2.02 -0.92 -1.94 112.91 113.35 3gor h THR 89 Ca 0.18 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 66.51 3gor h THR 89 Cb 0.15 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 3gor h THR 89 CO -0.02 0.30 0.24 -0.09 0.37 0.00 0.00 175.52 176.32 3gor h ARG 90 N 0.43 0.45 -0.49 6.66 2.43 -0.93 -2.52 114.38 120.42 3gor h ARG 90 Ca 0.11 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3gor h ARG 90 Cb 0.40 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3gor h ARG 90 CO 0.01 0.30 -0.02 1.96 -1.51 0.00 0.00 179.97 180.71 3gor h GLN 91 N 0.47 0.88 -0.06 0.20 4.20 -1.07 -0.97 115.11 118.75 3gor h GLN 91 Ca 0.23 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.68 3gor h GLN 91 Cb 0.16 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3gor h GLN 91 CO -0.18 0.93 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.68 3gor h LEU 92 N 0.74 -0.47 -0.66 1.46 3.38 -1.18 -2.13 115.31 116.45 3gor h LEU 92 Ca 0.14 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3gor h LEU 92 Cb 0.55 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3gor h LEU 92 CO 0.03 -0.21 0.28 0.40 0.09 0.00 0.00 178.44 179.03 3gor h ILE 93 N -0.23 1.23 0.00 1.22 2.04 -1.30 -2.64 117.51 117.83 3gor h ILE 93 Ca 0.07 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3gor h ILE 93 Cb 0.33 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3gor h ILE 93 CO -0.20 0.28 -0.10 -0.08 0.00 0.00 0.00 178.15 178.06 3gor h GLU 94 N 0.92 0.00 -3.88 2.37 4.81 -0.93 -3.44 114.58 114.42 3gor h GLU 94 Ca 0.22 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.71 3gor h GLU 94 Cb 0.17 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.41 3gor h GLU 94 CO -0.02 0.10 2.11 -1.13 -0.73 0.00 0.00 179.01 179.34 3gor n SER 95 N -3.54 4.90 -4.33 1.04 3.41 -0.82 -4.88 113.62 109.41 3gor n SER 95 Ca -0.02 -3.04 -0.21 0.00 -0.26 0.00 0.00 58.87 55.35 3gor n SER 95 Cb 0.23 -1.53 -0.10 0.00 -0.26 0.00 0.00 64.21 62.55 3gor n SER 95 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gor s SER 97 N 1.69 2.12 0.37 4.04 1.04 -1.26 -5.10 113.70 116.61 3gor s SER 97 Ca 0.42 -1.45 0.20 0.00 0.48 0.00 0.00 55.95 55.60 3gor s SER 97 Cb 0.08 0.12 0.42 0.00 0.10 0.00 0.00 66.02 66.74 3gor s SER 97 CO -0.01 -0.72 1.61 0.44 0.98 0.00 0.00 173.24 175.54 3gor h ASP 98 N 2.12 0.00 0.88 7.02 5.19 -2.01 -2.97 116.42 126.66 3gor h ASP 98 Ca -0.39 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.87 3gor h ASP 98 Cb 1.25 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 3gor h ASP 98 CO 0.64 0.30 -0.72 0.44 -3.12 0.00 0.00 179.24 176.78 3gor h ASP 99 N 0.00 0.00 -0.83 6.45 5.19 -2.04 -3.14 116.42 122.04 3gor h ASP 99 Ca -0.00 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 3gor h ASP 99 Cb 1.09 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.54 3gor h ASP 99 CO 0.04 0.72 0.54 0.44 -3.12 0.00 0.00 179.24 177.86 3gor h ASP 100 N 0.00 0.69 0.40 6.45 3.32 -1.94 0.92 116.42 126.26 3gor h ASP 100 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gor h ASP 100 Cb 1.35 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3gor h ASP 100 CO 0.09 0.40 0.00 0.49 -1.72 0.00 0.00 179.24 178.51 3gor n PHE 101 N -4.52 0.00 0.57 4.55 3.01 -1.19 -1.86 117.46 118.02 3gor n PHE 101 Ca 0.14 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.68 3gor n PHE 101 Cb 0.34 -0.42 -0.10 0.00 -0.01 0.00 0.00 39.48 39.29 3gor n PHE 101 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3gor n ASP 102 N -1.42 0.87 -4.73 4.37 8.00 0.29 -2.50 116.55 121.43 3gor n ASP 102 Ca 0.05 -0.65 -0.41 0.00 0.71 0.00 0.00 54.79 54.48 3gor n ASP 102 Cb 0.14 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 3gor n ASP 102 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3gor n ARG 103 N -1.56 2.29 -3.25 -1.24 0.63 -0.77 -4.64 116.66 108.11 3gor n ARG 103 Ca 0.01 0.81 -0.39 0.00 -0.92 0.00 0.00 57.85 57.37 3gor n ARG 103 Cb 0.30 -2.50 -0.06 0.00 0.45 0.00 0.00 32.46 30.66 3gor n ARG 103 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3gor s THR 104 N -1.14 5.01 -0.19 5.15 2.01 -1.26 -0.85 115.64 124.37 3gor s THR 104 Ca 0.56 1.14 -0.05 0.00 0.31 0.00 0.00 61.69 63.65 3gor s THR 104 Cb -0.51 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 3gor s THR 104 CO 0.61 0.40 0.01 -0.76 -0.69 0.00 0.00 174.62 174.19 3gor s LEU 105 N 0.01 3.39 -0.78 4.42 1.43 -1.26 -4.94 118.68 120.94 3gor s LEU 105 Ca 0.29 -0.13 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 3gor s LEU 105 Cb -0.17 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.27 3gor s LEU 105 CO 0.15 0.10 1.10 -0.62 0.23 0.00 0.00 176.35 177.31 3gor s ASP 106 N 0.81 6.33 -0.16 2.29 -1.08 -1.26 -4.44 116.67 119.16 3gor s ASP 106 Ca 0.01 -1.25 0.17 0.00 -0.52 0.00 0.00 52.55 50.96 3gor s ASP 106 Cb -0.14 -2.45 0.37 0.00 -1.46 0.00 0.00 42.92 39.24 3gor s ASP 106 CO 0.02 -1.40 1.24 0.18 0.52 0.00 0.00 175.17 175.73 3gor n LEU 107 N 7.76 2.87 -0.32 -1.34 4.77 -1.02 -4.70 117.00 125.02 3gor n LEU 107 Ca 0.09 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 3gor n LEU 107 Cb 0.47 -0.48 0.14 0.00 -2.33 0.00 0.00 43.42 41.22 3gor n LEU 107 CO 0.62 0.79 1.21 0.74 -1.33 0.00 0.00 177.39 179.41 3gor h THR 108 N 0.60 1.07 0.00 -5.08 2.02 -1.81 0.41 112.91 110.12 3gor h THR 108 Ca 0.01 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3gor h THR 108 Cb 1.15 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3gor h THR 108 CO 0.08 0.19 0.12 0.00 0.37 0.00 0.00 175.52 176.27 3gor h ALA 109 N 1.40 1.12 0.00 6.16 0.00 -1.90 0.16 119.26 126.19 3gor h ALA 109 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 3gor h ALA 109 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gor h ALA 109 CO -0.16 -0.12 -0.45 -0.89 0.00 0.00 0.00 179.25 177.64 3gor n ILE 110 N -2.91 0.83 0.43 0.00 5.41 0.20 -4.74 119.36 118.58 3gor n ILE 110 Ca -0.02 0.24 0.10 0.00 1.00 0.00 0.00 62.75 64.06 3gor n ILE 110 Cb 0.18 -1.60 0.15 0.00 -0.71 0.00 0.00 39.64 37.66 3gor n ILE 110 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3gor n PHE 111 N -3.39 0.28 -3.57 1.39 3.72 0.12 -4.97 117.46 111.05 3gor n PHE 111 Ca -0.02 -0.17 -0.22 0.00 -0.05 0.00 0.00 57.45 56.99 3gor n PHE 111 Cb 0.22 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.83 3gor n PHE 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gor n GLY 112 N 1.18 -0.49 3.63 1.37 0.00 0.55 -4.91 105.19 106.52 3gor n GLY 112 Ca 0.15 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 3gor n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gor s THR 113 N -3.34 0.00 0.51 2.61 -1.32 -1.22 -4.80 115.64 108.08 3gor s THR 113 Ca 0.41 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.91 3gor s THR 113 Cb -0.18 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.83 3gor s THR 113 CO 0.74 0.00 0.72 -1.10 -2.21 0.00 0.00 174.62 172.77 3gor s GLN 114 N -1.40 2.68 0.18 7.08 -0.21 -1.26 -2.43 119.66 124.30 3gor s GLN 114 Ca 0.08 -0.80 -0.00 0.00 0.02 0.00 0.00 55.36 54.65 3gor s GLN 114 Cb -0.01 -2.55 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 3gor s GLN 114 CO -0.05 -0.56 0.36 -1.54 -2.12 0.00 0.00 175.29 171.38 3gor s SER 116 N -4.37 6.38 0.48 5.90 1.04 -1.26 -4.95 113.70 116.92 3gor s SER 116 Ca 0.55 0.34 0.14 0.00 0.48 0.00 0.00 55.95 57.46 3gor s SER 116 Cb -0.10 -1.98 1.14 0.00 0.10 0.00 0.00 66.02 65.17 3gor s SER 116 CO 0.37 -0.01 2.10 0.74 0.98 0.00 0.00 173.24 177.43 3gor h THR 117 N 1.60 1.04 -0.25 2.02 2.02 -1.10 -1.03 112.91 117.21 3gor h THR 117 Ca -0.48 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 3gor h THR 117 Cb 1.19 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3gor h THR 117 CO 0.69 0.05 -0.44 0.00 0.37 0.00 0.00 175.52 176.18 3gor h ALA 118 N 1.91 0.39 -0.56 6.16 0.00 -1.77 -0.04 119.26 125.35 3gor h ALA 118 Ca 0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3gor h ALA 118 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3gor h ALA 118 CO -0.00 0.53 0.17 1.96 0.00 0.00 0.00 179.25 181.91 3gor h GLN 119 N 0.48 0.84 -0.30 0.00 4.20 -1.74 -0.08 115.11 118.52 3gor h GLN 119 Ca 0.02 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3gor h GLN 119 Cb 1.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 3gor h GLN 119 CO 0.10 0.73 0.07 0.35 -0.67 0.00 0.00 178.83 179.41 3gor h PHE 120 N 0.82 0.50 -0.13 2.96 3.57 -0.98 -0.77 116.94 122.91 3gor h PHE 120 Ca 0.19 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 3gor h PHE 120 Cb 0.24 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3gor h PHE 120 CO 0.01 0.54 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.26 3gor h LEU 121 N 0.31 0.25 -0.85 0.59 3.38 -0.77 -1.87 115.31 116.36 3gor h LEU 121 Ca 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3gor h LEU 121 Cb 0.29 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3gor h LEU 121 CO 0.00 0.55 0.08 -0.61 0.09 0.00 0.00 178.44 178.55 3gor h GLN 122 N 0.22 0.94 -0.91 1.13 5.75 -0.66 -2.30 115.11 119.29 3gor h GLN 122 Ca 0.03 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 3gor h GLN 122 Cb 0.64 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 3gor h GLN 122 CO 0.05 0.88 0.58 1.25 -2.65 0.00 0.00 178.83 178.93 3gor h LEU 123 N 0.89 1.07 -1.21 -2.39 5.85 -0.56 0.28 115.31 119.24 3gor h LEU 123 Ca 0.18 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gor h LEU 123 Cb 0.41 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3gor h LEU 123 CO 0.01 0.80 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 3gor n ALA 124 N -2.37 1.23 0.00 1.25 0.00 -0.76 -1.01 120.51 118.85 3gor n ALA 124 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3gor n ALA 124 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3gor n ALA 124 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gor n ASP 126 N 0.56 0.00 -0.03 0.00 8.00 0.09 -1.14 116.55 124.03 3gor n ASP 126 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3gor n ASP 126 Cb 0.03 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.05 3gor n ASP 126 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 3gor h HIS 127 N 0.00 0.19 -0.41 1.24 2.76 -1.33 0.72 115.15 118.33 3gor h HIS 127 Ca 0.00 -0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.18 3gor h HIS 127 Cb 0.00 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 28.87 3gor h HIS 127 CO 0.00 0.50 0.12 1.49 -1.30 0.00 0.00 177.93 178.74 3gor h GLU 128 N -0.17 0.26 -0.66 5.26 4.57 -1.39 -1.57 114.58 120.87 3gor h GLU 128 Ca 0.02 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3gor h GLU 128 Cb 0.44 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 3gor h GLU 128 CO 0.01 0.17 0.19 0.82 -1.18 0.00 0.00 179.01 179.02 3gor h ILE 129 N 0.27 1.25 -0.07 2.32 2.04 -1.79 0.32 117.51 121.85 3gor h ILE 129 Ca 0.19 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.18 3gor h ILE 129 Cb 0.20 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3gor h ILE 129 CO -0.22 0.34 -0.08 -0.74 0.00 0.00 0.00 178.15 177.45 3gor h HIS 130 N 0.97 -0.21 -0.05 1.37 2.76 -0.63 -1.44 115.15 117.91 3gor h HIS 130 Ca 0.21 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.24 3gor h HIS 130 Cb 0.32 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 3gor h HIS 130 CO 0.02 -0.13 -0.64 0.45 -1.30 0.00 0.00 177.93 176.33 3gor h HIS 131 N -0.11 0.27 -0.61 5.26 3.86 -1.00 -2.54 115.15 120.28 3gor h HIS 131 Ca 0.06 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3gor h HIS 131 Cb 0.19 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.59 3gor h HIS 131 CO -0.18 0.79 0.28 -0.22 0.86 0.00 0.00 177.93 179.46 3gor h LYS 132 N 0.15 0.86 -0.65 2.45 3.64 -0.79 0.23 116.57 122.46 3gor h LYS 132 Ca -0.01 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3gor h LYS 132 Cb 1.16 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 3gor h LYS 132 CO 0.10 0.67 0.36 0.78 -2.27 0.00 0.00 179.45 179.09 3gor h GLY 133 N 0.95 0.95 0.93 5.01 0.00 -0.83 -1.44 103.07 108.64 3gor h GLY 133 Ca 0.21 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 3gor h GLY 133 CO -0.03 0.16 0.01 1.46 0.00 0.00 0.00 176.54 178.15 3gor h GLN 134 N 0.68 0.67 -0.85 4.80 4.20 -1.19 -2.83 115.11 120.58 3gor h GLN 134 Ca 0.29 -0.21 0.13 0.00 0.06 0.00 0.00 58.65 58.92 3gor h GLN 134 Cb 0.16 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 3gor h GLN 134 CO -0.17 0.76 0.55 1.25 -0.67 0.00 0.00 178.83 180.55 3gor h LEU 135 N 0.49 0.63 -0.99 1.46 5.85 -0.51 0.17 115.31 122.40 3gor h LEU 135 Ca 0.11 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3gor h LEU 135 Cb 0.45 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3gor h LEU 135 CO 0.02 0.33 0.65 -0.26 -0.34 0.00 0.00 178.44 178.84 3gor h PHE 136 N 0.67 1.23 -0.26 1.25 -1.00 -1.02 -0.45 116.94 117.36 3gor h PHE 136 Ca 0.42 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 61.16 3gor h PHE 136 Cb 0.67 -0.41 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 3gor h PHE 136 CO -0.00 0.74 -0.12 0.28 -1.61 0.00 0.00 178.31 177.60 3gor h VAL 137 N 1.30 1.30 0.00 -0.55 2.07 -0.69 -2.52 116.25 117.17 3gor h VAL 137 Ca 0.38 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3gor h VAL 137 Cb -0.08 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3gor h VAL 137 CO -0.10 0.38 -0.53 1.88 0.02 0.00 0.00 177.57 179.21 3gor h TYR 138 N 0.27 -1.56 -0.76 1.57 -1.99 -0.84 -1.13 116.97 112.53 3gor h TYR 138 Ca 0.06 0.05 0.07 0.00 2.00 0.00 0.00 58.73 60.91 3gor h TYR 138 Cb 0.63 0.68 -0.06 0.00 2.00 0.00 0.00 36.73 39.97 3gor h TYR 138 CO 0.06 -0.57 0.44 0.28 -0.00 0.00 0.00 178.16 178.37 3gor h VAL 139 N -0.67 0.97 -0.90 -2.88 2.07 -1.09 -0.36 116.25 113.38 3gor h VAL 139 Ca 0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3gor h VAL 139 Cb 0.72 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3gor h VAL 139 CO -0.36 0.14 0.49 0.03 0.02 0.00 0.00 177.57 177.90 3gor h ARG 140 N 0.79 1.25 -1.92 1.57 3.08 -1.32 -2.71 114.38 115.12 3gor h ARG 140 Ca 0.35 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3gor h ARG 140 Cb 0.23 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3gor h ARG 140 CO -0.20 0.91 0.00 0.41 -1.07 0.00 0.00 179.97 180.02 3gor n GLY 141 N -1.13 0.12 0.00 0.04 0.00 -0.15 -3.87 105.19 100.20 3gor n GLY 141 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gor n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gor n GLY 143 N 1.20 0.52 3.72 -0.02 0.00 -1.08 -5.10 105.19 104.43 3gor n GLY 143 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gor n GLY 143 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gor s HIS 144 N -0.28 3.60 -0.01 1.61 3.76 -1.05 -4.93 115.29 117.99 3gor s HIS 144 Ca 0.00 1.57 0.04 0.00 -0.15 0.00 0.00 55.06 56.52 3gor s HIS 144 Cb 0.00 -3.24 -0.06 0.00 1.11 0.00 0.00 32.58 30.39 3gor s HIS 144 CO 0.00 -0.52 0.07 2.41 -0.85 0.00 0.00 174.74 175.85 3gor n THR 145 N 3.36 0.07 -3.00 1.30 -1.04 -1.26 -4.00 114.28 109.71 3gor n THR 145 Ca 0.06 -0.11 -0.44 0.00 -2.04 0.00 0.00 64.05 61.51 3gor n THR 145 Cb 0.48 0.04 -0.02 0.00 -1.82 0.00 0.00 70.33 69.01 3gor n THR 145 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3gor s ASP 146 N -2.74 6.69 0.03 8.00 1.47 -1.26 -5.01 116.67 123.85 3gor s ASP 146 Ca -0.02 -2.24 0.03 0.00 1.18 0.00 0.00 52.55 51.50 3gor s ASP 146 Cb 0.02 -2.37 -0.04 0.00 -0.34 0.00 0.00 42.92 40.20 3gor s ASP 146 CO 0.16 -0.95 -0.00 -0.76 0.68 0.00 0.00 175.17 174.30 3gor s LEU 147 N 2.14 3.48 0.87 2.11 1.43 -1.26 -5.11 118.68 122.35 3gor s LEU 147 Ca 0.31 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 3gor s LEU 147 Cb -0.06 -2.07 0.12 0.00 0.03 0.00 0.00 46.19 44.21 3gor s LEU 147 CO -0.09 0.25 1.12 -2.84 0.23 0.00 0.00 176.35 175.02 3gor s PRO 148 N -1.80 1.37 0.54 1.29 0.02 -1.26 -4.98 135.00 130.18 3gor s PRO 148 Ca 0.22 1.36 -0.22 0.00 0.02 0.00 0.00 61.00 62.38 3gor s PRO 148 Cb -0.12 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.57 3gor s PRO 148 CO 0.13 -2.32 1.33 -0.51 -0.33 0.00 0.00 177.00 175.29 3gor s LEU 149 N -6.38 3.85 0.64 -5.54 1.02 -1.26 -4.88 118.68 106.13 3gor s LEU 149 Ca 0.65 2.70 0.39 0.00 0.02 0.00 0.00 54.13 57.88 3gor s LEU 149 Cb -0.21 -4.30 2.17 0.00 0.02 0.00 0.00 46.19 43.87 3gor s LEU 149 CO 0.58 -1.53 2.29 2.19 0.02 0.00 0.00 176.35 179.90 3gor h PHE 150 N 1.45 0.00 -3.85 0.29 -0.00 -1.98 -3.40 116.94 109.44 3gor h PHE 150 Ca -0.51 0.00 -0.27 0.00 -0.00 0.00 0.00 57.97 57.19 3gor h PHE 150 Cb 1.30 0.00 -0.27 0.00 -0.00 0.00 0.00 35.95 36.98 3gor h PHE 150 CO 0.46 0.00 -0.74 0.54 -0.00 0.00 0.00 178.31 178.58 3gor s VAL 151 N -4.31 0.25 -2.30 0.88 0.11 -1.26 -4.86 120.40 108.92 3gor s VAL 151 Ca -0.05 -0.28 0.30 0.00 -2.93 0.00 0.00 61.98 59.01 3gor s VAL 151 Cb 0.13 -0.24 0.70 0.00 -1.53 0.00 0.00 36.38 35.43 3gor s VAL 151 CO 0.44 -0.03 1.94 0.29 -3.33 0.00 0.00 175.10 174.42