#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gor n ASN -1 N 0.00 -1.49 0.12 6.43 3.02 -1.26 -5.21 115.26 116.87 3gor n ASN -1 Ca 0.00 0.91 -0.02 0.00 -0.03 0.00 0.00 54.58 55.44 3gor n ASN -1 Cb 0.00 -0.81 0.20 0.00 -0.61 0.00 0.00 39.78 38.56 3gor n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gor h ALA 0 N 0.71 1.05 -3.11 5.41 0.00 -2.11 -3.54 119.26 117.66 3gor h ALA 0 Ca -0.27 -0.48 -0.63 0.00 0.00 0.00 0.00 54.91 53.53 3gor h ALA 0 Cb 1.26 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 3gor h ALA 0 CO 0.47 0.66 -0.58 -1.54 0.00 0.00 0.00 179.25 178.26 3gor s SER 2 N -6.88 5.64 0.16 0.00 1.04 -1.26 -5.20 113.70 107.19 3gor s SER 2 Ca -0.03 0.02 -0.24 0.00 0.48 0.00 0.00 55.95 56.18 3gor s SER 2 Cb 0.13 -1.55 0.03 0.00 0.10 0.00 0.00 66.02 64.74 3gor s SER 2 CO 0.77 0.16 1.61 0.03 0.98 0.00 0.00 173.24 176.79 3gor h ARG 3 N 3.20 -0.28 -0.65 4.02 3.08 -1.96 -0.37 114.38 121.43 3gor h ARG 3 Ca -0.47 0.02 0.12 0.00 0.07 0.00 0.00 59.98 59.73 3gor h ARG 3 Cb 1.17 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 31.15 3gor h ARG 3 CO 0.67 -0.18 -0.27 0.00 -1.07 0.00 0.00 179.97 179.12 3gor h ALA 4 N 0.68 0.18 -0.33 0.04 0.00 -1.88 0.63 119.26 118.59 3gor h ALA 4 Ca 0.15 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3gor h ALA 4 Cb 0.53 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3gor h ALA 4 CO -0.47 -0.56 0.07 -0.22 0.00 0.00 0.00 179.25 178.07 3gor h LYS 5 N -0.09 0.48 -0.14 0.00 3.64 -1.45 0.14 116.57 119.14 3gor h LYS 5 Ca 0.28 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3gor h LYS 5 Cb 0.54 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3gor h LYS 5 CO -0.71 0.45 -0.04 0.87 -2.27 0.00 0.00 179.45 177.75 3gor h LYS 6 N 0.47 0.28 -0.67 1.90 1.57 0.08 -2.29 116.57 117.90 3gor h LYS 6 Ca 0.11 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3gor h LYS 6 Cb 0.20 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3gor h LYS 6 CO -0.00 0.57 0.36 -1.49 -0.57 0.00 0.00 179.45 178.32 3gor h TRP 7 N -0.04 0.91 -0.38 -1.35 4.06 -0.04 -0.96 115.95 118.16 3gor h TRP 7 Ca 0.03 -0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 3gor h TRP 7 Cb 0.47 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 3gor h TRP 7 CO 0.05 0.64 -0.05 0.28 -3.56 0.00 0.00 178.44 175.80 3gor h VAL 8 N 0.94 1.27 -0.60 1.49 2.07 -0.73 0.21 116.25 120.90 3gor h VAL 8 Ca 0.24 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 3gor h VAL 8 Cb 0.03 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3gor h VAL 8 CO -0.04 0.37 0.11 -0.61 0.02 0.00 0.00 177.57 177.42 3gor h GLN 9 N 0.52 0.96 -0.40 1.57 4.15 -1.01 0.47 115.11 121.37 3gor h GLN 9 Ca 0.10 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 3gor h GLN 9 Cb 0.55 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 3gor h GLN 9 CO 0.03 0.88 0.16 -0.92 -1.93 0.00 0.00 178.83 177.06 3gor h TYR 10 N 0.91 0.61 0.07 3.99 3.20 -0.89 -1.22 116.97 123.64 3gor h TYR 10 Ca 0.19 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3gor h TYR 10 Cb 0.38 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3gor h TYR 10 CO 0.03 0.53 -0.08 0.35 -1.64 0.00 0.00 178.16 177.35 3gor h PHE 11 N 0.50 -0.21 -0.09 -3.82 3.57 -0.06 -2.96 116.94 113.88 3gor h PHE 11 Ca 0.13 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 3gor h PHE 11 Cb 0.18 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3gor h PHE 11 CO -0.00 -0.13 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.56 3gor h LEU 12 N -0.17 0.17 -2.53 0.59 3.38 -0.85 0.11 115.31 116.01 3gor h LEU 12 Ca 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gor h LEU 12 Cb 0.18 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3gor h LEU 12 CO -0.04 0.49 0.00 0.77 0.09 0.00 0.00 178.44 179.75 3gor h SER 13 N 0.15 0.00 0.00 -0.43 4.64 -1.04 -0.47 113.55 116.40 3gor h SER 13 Ca 0.02 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.92 3gor h SER 13 Cb 0.64 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.67 3gor h SER 13 CO 0.05 0.00 -2.47 1.41 -0.87 0.00 0.00 176.83 174.95 3gor n HIS 14 N -3.77 0.00 0.15 4.77 8.25 -0.91 -0.73 115.22 122.99 3gor n HIS 14 Ca -0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.47 3gor n HIS 14 Cb 0.08 -0.96 0.44 0.00 1.12 0.00 0.00 29.99 30.67 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 -0.57 0.17 -0.88 -0.41 9.65 -0.64 -1.79 114.38 119.91 3gor h ARG 15 Ca -0.63 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.21 3gor h ARG 15 Cb 1.71 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 30.22 3gor h ARG 15 CO -0.28 0.29 0.55 0.45 2.80 0.00 0.00 179.97 183.78 3gor h HIS 16 N 0.17 1.15 -0.58 2.20 3.86 -1.32 -2.03 115.15 118.59 3gor h HIS 16 Ca 0.04 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 3gor h HIS 16 Cb 0.30 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3gor h HIS 16 CO 0.00 0.75 0.07 0.28 0.86 0.00 0.00 177.93 179.89 3gor h VAL 17 N 1.21 1.26 0.00 2.45 2.07 -1.58 -1.25 116.25 120.41 3gor h VAL 17 Ca 0.32 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3gor h VAL 17 Cb -0.08 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3gor h VAL 17 CO -0.06 0.37 0.00 0.41 0.02 0.00 0.00 177.57 178.31 3gor n THR 18 N -4.29 0.00 0.00 2.57 -1.04 -0.77 -1.36 114.28 109.39 3gor n THR 18 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3gor n THR 18 Cb 0.29 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 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 0.57 0.00 -0.24 -2.82 2.13 -0.47 -1.32 120.64 118.49 3gor n GLU 20 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 3gor n GLU 20 Cb 0.00 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.75 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 0.91 -1.17 4.31 3.38 -1.50 -2.86 115.31 118.38 3gor h LEU 21 Ca 0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3gor h LEU 21 Cb 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3gor h LEU 21 CO 0.00 0.81 0.23 0.40 0.09 0.00 0.00 178.44 179.96 3gor h ILE 22 N 0.95 1.20 0.00 1.22 2.04 -1.46 -1.71 117.51 119.76 3gor h ILE 22 Ca 0.23 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3gor h ILE 22 Cb 0.16 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3gor h ILE 22 CO -0.02 0.25 -0.04 0.45 0.00 0.00 0.00 178.15 178.79 3gor h HIS 23 N 0.80 0.00 -0.00 1.37 3.86 -1.79 -1.76 115.15 117.64 3gor h HIS 23 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3gor h HIS 23 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3gor h HIS 23 CO 0.01 0.04 -0.04 1.63 0.86 0.00 0.00 177.93 180.43 3gor n LYS 24 N -3.24 0.54 -3.33 2.45 5.02 -0.64 -4.68 118.16 114.27 3gor n LYS 24 Ca -0.01 -0.07 -0.44 0.00 -2.02 0.00 0.00 58.31 55.76 3gor n LYS 24 Cb 0.21 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.51 5.15 0.60 -0.18 1.01 -0.66 -5.05 121.20 119.56 3gor s ILE 25 Ca 0.30 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 3gor s ILE 25 Cb 0.20 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3gor s ILE 25 CO 0.46 -0.63 0.97 1.51 0.00 0.00 0.00 174.94 177.26 3gor s ASP 26 N 2.60 6.06 0.49 3.58 -4.77 -1.26 -4.90 116.67 118.46 3gor s ASP 26 Ca 0.07 1.19 0.27 0.00 -3.30 0.00 0.00 52.55 50.78 3gor s ASP 26 Cb -0.23 -2.26 1.34 0.00 -1.09 0.00 0.00 42.92 40.68 3gor s ASP 26 CO 0.08 -0.89 1.84 -0.33 0.70 0.00 0.00 175.17 176.56 3gor h GLU 27 N -0.23 0.16 0.00 2.11 4.39 -1.99 0.21 114.58 119.23 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 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3gor h GLU 27 CO 0.62 0.11 -0.08 0.00 -1.16 0.00 0.00 179.01 178.49 3gor h ALA 28 N 1.55 1.60 -0.30 3.43 0.00 -2.02 -2.36 119.26 121.15 3gor h ALA 28 Ca 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3gor h ALA 28 Cb 1.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3gor h ALA 28 CO -0.10 0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.97 3gor n HIS 29 N -4.05 0.38 -0.33 0.00 8.25 0.72 -4.58 115.22 115.62 3gor n HIS 29 Ca -0.03 -0.28 0.22 0.00 -0.26 0.00 0.00 57.72 57.38 3gor n HIS 29 Cb 0.17 -0.01 0.49 0.00 1.12 0.00 0.00 29.99 31.76 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 3.14 0.72 -0.57 4.41 -1.99 -1.23 -0.18 116.97 121.26 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 0.78 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.30 3gor h TYR 30 CO 0.19 0.07 0.00 -0.40 -0.00 0.00 0.00 178.16 178.02 3gor n ASP 31 N -4.67 4.46 -4.77 3.88 5.75 -1.26 -0.37 116.55 119.57 3gor n ASP 31 Ca 0.25 -2.46 -0.40 0.00 -0.01 0.00 0.00 54.79 52.17 3gor n ASP 31 Cb 0.85 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3gor n ASP 31 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3gor s TYR 32 N -1.85 2.63 -0.03 2.11 5.04 -0.08 -4.70 117.35 120.45 3gor s TYR 32 Ca 0.47 1.26 -0.01 0.00 -2.44 0.00 0.00 57.07 56.35 3gor s TYR 32 Cb 0.31 -3.91 0.03 0.00 0.35 0.00 0.00 41.96 38.74 3gor s TYR 32 CO 0.22 -2.74 0.06 0.15 -1.34 0.00 0.00 175.55 171.90 3gor s LYS 33 N -2.19 -0.03 0.33 4.97 1.02 -1.26 -0.97 119.74 121.61 3gor s LYS 33 Ca 0.55 0.27 0.04 0.00 0.02 0.00 0.00 55.97 56.86 3gor s LYS 33 Cb -0.44 -0.30 0.58 0.00 -0.52 0.00 0.00 37.83 37.15 3gor s LYS 33 CO 0.58 -0.21 1.86 -1.35 -0.92 0.00 0.00 175.35 175.31 3gor h PRO 34 N 7.61 0.52 -4.90 -1.68 0.11 -1.95 -3.44 132.00 128.27 3gor h PRO 34 Ca -0.36 -0.12 -0.30 0.00 0.11 0.00 0.00 66.00 65.33 3gor h PRO 34 Cb 1.12 -0.07 -0.15 0.00 0.11 0.00 0.00 31.00 32.01 3gor h PRO 34 CO 0.38 0.57 -0.69 0.95 -0.21 0.00 0.00 178.00 179.00 3gor s THR 35 N -4.92 0.91 0.44 -1.15 -4.23 -1.26 -5.04 115.64 100.39 3gor s THR 35 Ca -0.07 -2.01 0.29 0.00 -1.18 0.00 0.00 61.69 58.71 3gor s THR 35 Cb 0.15 -1.95 0.31 0.00 1.34 0.00 0.00 72.50 72.35 3gor s THR 35 CO 0.77 -0.64 2.11 -0.65 -0.54 0.00 0.00 174.62 175.66 3gor h PRO 36 N 2.76 0.00 -0.60 3.99 0.11 -2.04 -2.62 132.00 133.59 3gor h PRO 36 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 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 0.09 0.00 0.25 -0.21 0.00 0.00 178.00 178.77 3gor n THR 37 N -3.64 1.01 0.00 -1.15 -2.24 -1.26 -5.13 114.28 101.88 3gor n THR 37 Ca -0.02 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 3gor n THR 37 Cb 0.21 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 1.25 0.00 -4.77 3.42 7.64 -0.99 -5.16 113.62 115.01 3gor n SER 38 Ca 0.20 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.85 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 2.08 4.18 0.25 0.44 -4.23 -1.26 -4.89 115.64 112.21 3gor s THR 40 Ca 0.00 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 3gor s THR 40 Cb 0.00 -3.24 0.23 0.00 1.34 0.00 0.00 72.50 70.83 3gor s THR 40 CO 0.00 -0.32 1.77 0.00 -0.54 0.00 0.00 174.62 175.53 3gor h ALA 41 N 1.73 1.21 -0.54 3.99 0.00 -1.00 0.37 119.26 125.01 3gor h ALA 41 Ca -0.47 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3gor h ALA 41 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3gor h ALA 41 CO 0.61 -0.07 -0.10 -0.22 0.00 0.00 0.00 179.25 179.47 3gor h LYS 42 N 0.63 1.01 -0.75 0.00 3.64 -0.98 -1.17 116.57 118.95 3gor h LYS 42 Ca 0.44 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3gor h LYS 42 Cb 0.57 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3gor h LYS 42 CO -0.34 1.05 0.33 1.96 -2.27 0.00 0.00 179.45 180.18 3gor h GLN 43 N 0.90 1.10 -0.04 1.90 4.20 -1.55 -1.26 115.11 120.36 3gor h GLN 43 Ca 0.14 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3gor h GLN 43 Cb 0.66 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 3gor h GLN 43 CO 0.05 0.88 0.01 1.25 -0.67 0.00 0.00 178.83 180.34 3gor h LEU 44 N 1.06 0.06 -0.83 1.46 5.85 -0.64 -0.41 115.31 121.87 3gor h LEU 44 Ca 0.25 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3gor h LEU 44 Cb 0.17 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3gor h LEU 44 CO -0.03 0.30 0.10 0.00 -0.34 0.00 0.00 178.44 178.48 3gor h ALA 45 N 0.76 1.04 -0.16 1.25 0.00 -1.17 -2.77 119.26 118.20 3gor h ALA 45 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3gor h ALA 45 Cb 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gor h ALA 45 CO 0.00 0.62 -0.04 1.15 0.00 0.00 0.00 179.25 180.97 3gor h THR 46 N 0.92 1.29 0.00 0.00 2.02 -1.13 -2.53 112.91 113.49 3gor h THR 46 Ca 0.19 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.35 3gor h THR 46 Cb 0.40 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3gor h THR 46 CO 0.01 0.30 0.00 1.57 0.37 0.00 0.00 175.52 177.77 3gor n HIS 47 N -4.67 0.00 0.00 3.16 -0.00 -0.17 -1.27 115.22 112.26 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 0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 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 0.53 0.00 -0.01 0.27 4.77 -0.95 -0.81 117.00 120.80 3gor n LEU 49 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 3gor n LEU 49 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3gor n LEU 49 CO 0.00 0.00 0.31 -0.26 -1.33 0.00 0.00 177.39 176.11 3gor h PHE 50 N 0.00 0.58 -0.53 -1.77 0.04 -1.46 -2.52 116.94 111.27 3gor h PHE 50 Ca 0.00 -0.29 0.03 0.00 2.80 0.00 0.00 57.97 60.51 3gor h PHE 50 Cb 0.00 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 3gor h PHE 50 CO 0.00 1.09 0.31 0.66 -0.60 0.00 0.00 178.31 179.77 3gor h SER 51 N -0.10 0.49 -0.59 2.17 4.64 -1.20 -1.14 113.55 117.83 3gor h SER 51 Ca -0.06 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 3gor h SER 51 Cb 1.21 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3gor h SER 51 CO 0.10 0.35 0.12 0.15 -0.87 0.00 0.00 176.83 176.68 3gor h PHE 52 N 0.61 1.02 -0.80 4.77 3.04 -1.77 -1.61 116.94 122.21 3gor h PHE 52 Ca 0.22 -0.13 0.13 0.00 3.98 0.00 0.00 57.97 62.17 3gor h PHE 52 Cb 0.05 -0.28 -0.09 0.00 2.56 0.00 0.00 35.95 38.19 3gor h PHE 52 CO -0.07 0.87 0.40 -0.92 -2.02 0.00 0.00 178.31 176.57 3gor h TYR 53 N 0.87 0.70 -0.56 0.41 3.20 -0.98 -0.71 116.97 119.89 3gor h TYR 53 Ca 0.18 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3gor h TYR 53 Cb 0.39 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3gor h TYR 53 CO 0.03 0.18 0.17 -0.91 -1.64 0.00 0.00 178.16 175.99 3gor h ASN 54 N 0.60 0.82 0.03 -2.11 2.35 -0.36 0.22 115.58 117.13 3gor h ASN 54 Ca 0.43 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3gor h ASN 54 Cb 0.57 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3gor h ASN 54 CO -0.34 0.81 -0.13 -0.26 -1.65 0.00 0.00 177.43 175.86 3gor h PHE 55 N 0.78 -0.34 -0.36 1.19 0.04 -0.70 -0.32 116.94 117.24 3gor h PHE 55 Ca 0.18 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 3gor h PHE 55 Cb 0.29 0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 3gor h PHE 55 CO 0.02 -0.20 0.15 0.00 -0.60 0.00 0.00 178.31 177.68 3gor h ALA 56 N 0.69 0.47 -0.29 2.45 0.00 -0.96 0.78 119.26 122.40 3gor h ALA 56 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3gor h ALA 56 Cb 0.28 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3gor h ALA 56 CO -0.11 0.06 -0.06 -0.97 0.00 0.00 0.00 179.25 178.17 3gor h ASN 57 N 0.43 -0.25 -0.66 0.00 -1.24 -0.45 0.26 115.58 113.67 3gor h ASN 57 Ca 0.12 0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.17 3gor h ASN 57 Cb 0.18 0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 3gor h ASN 57 CO -0.01 -0.09 0.22 0.74 -1.29 0.00 0.00 177.43 177.00 3gor h THR 58 N 0.01 1.25 -0.19 -3.57 2.02 -0.81 -2.41 112.91 109.21 3gor h THR 58 Ca 0.14 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3gor h THR 58 Cb 0.21 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3gor h THR 58 CO -0.29 0.32 0.05 0.00 0.37 0.00 0.00 175.52 175.97 3gor h ALA 59 N 1.09 0.25 -0.58 6.16 0.00 -0.18 0.47 119.26 126.48 3gor h ALA 59 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gor h ALA 59 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3gor h ALA 59 CO -0.01 -0.11 0.37 -0.22 0.00 0.00 0.00 179.25 179.28 3gor h LYS 60 N 0.12 0.77 -0.65 0.00 3.11 -0.34 -2.58 116.57 117.00 3gor h LYS 60 Ca 0.06 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3gor h LYS 60 Cb 0.27 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.33 3gor h LYS 60 CO 0.00 0.53 0.00 0.72 -2.81 0.00 0.00 179.45 177.89 3gor n HIS 61 N -4.66 0.86 -2.02 1.91 8.25 -0.92 -4.93 115.22 113.71 3gor n HIS 61 Ca 0.04 -0.43 -0.10 0.00 -0.26 0.00 0.00 57.72 56.96 3gor n HIS 61 Cb 0.04 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 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 1.57 0.05 3.07 -1.41 0.00 0.09 -4.90 105.19 103.67 3gor n GLY 62 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.96 4.81 0.56 1.61 -1.08 -0.80 -4.96 116.67 114.84 3gor s ASP 63 Ca 0.00 -1.84 0.25 0.00 -0.52 0.00 0.00 52.55 50.44 3gor s ASP 63 Cb 0.00 -1.66 1.58 0.00 -1.46 0.00 0.00 42.92 41.38 3gor s ASP 63 CO 0.00 -0.35 2.16 -0.65 0.52 0.00 0.00 175.17 176.85 3gor h PRO 64 N 7.78 0.00 -0.34 4.34 0.11 -1.88 -2.62 132.00 139.39 3gor h PRO 64 Ca -0.11 0.00 -0.06 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 -0.04 0.66 -0.21 0.00 0.00 178.00 178.96 3gor h SER 65 N 0.00 0.51 -0.14 -2.05 4.64 -1.94 -2.20 113.55 112.37 3gor h SER 65 Ca 0.05 -0.11 0.04 0.00 -0.47 0.00 0.00 61.79 61.30 3gor h SER 65 Cb 0.22 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3gor h SER 65 CO -0.00 0.61 0.15 -0.07 -0.87 0.00 0.00 176.83 176.64 3gor h LEU 66 N 0.51 0.00 -0.56 5.97 3.38 -1.87 -3.30 115.31 119.45 3gor h LEU 66 Ca 0.11 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3gor h LEU 66 Cb 0.38 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3gor h LEU 66 CO 0.02 0.00 0.28 0.15 0.09 0.00 0.00 178.44 178.98 3gor h PHE 67 N 0.00 0.52 -0.48 1.13 3.57 -1.56 -2.19 116.94 117.93 3gor h PHE 67 Ca 0.06 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3gor h PHE 67 Cb 0.36 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 3gor h PHE 67 CO 0.00 0.24 0.07 0.54 -2.23 0.00 0.00 178.31 176.93 3gor n ARG 68 N -4.87 3.52 -1.74 1.11 1.74 -1.24 -4.82 116.66 110.36 3gor n ARG 68 Ca 0.06 -3.03 -0.42 0.00 -0.77 0.00 0.00 57.85 53.69 3gor n ARG 68 Cb 0.16 -2.05 -0.03 0.00 -1.02 0.00 0.00 32.46 29.52 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 -2.91 4.15 0.12 5.56 0.74 -0.82 -4.93 119.66 121.57 3gor s GLN 69 Ca 0.49 2.55 -0.31 0.00 0.05 0.00 0.00 55.36 58.14 3gor s GLN 69 Cb 0.39 -3.93 -0.08 0.00 1.10 0.00 0.00 33.01 30.50 3gor s GLN 69 CO 0.11 -0.89 1.39 0.21 -0.55 0.00 0.00 175.29 175.56 3gor s LYS 70 N 3.75 4.32 -0.26 1.67 2.20 -1.26 -4.99 119.74 125.17 3gor s LYS 70 Ca 0.84 2.08 -0.16 0.00 -0.36 0.00 0.00 55.97 58.37 3gor s LYS 70 Cb -0.43 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3gor s LYS 70 CO 0.38 -0.43 0.43 0.42 -0.36 0.00 0.00 175.35 175.79 3gor s ILE 71 N 1.05 5.13 -0.29 5.43 1.01 -1.26 -5.05 121.20 127.22 3gor s ILE 71 Ca 0.64 0.72 -0.07 0.00 0.00 0.00 0.00 60.65 61.94 3gor s ILE 71 Cb -0.37 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.35 3gor s ILE 71 CO 0.31 0.14 0.08 -0.70 0.00 0.00 0.00 174.94 174.76 3gor s GLU 72 N 2.08 3.11 -0.05 2.79 2.12 -1.26 -5.08 118.70 122.41 3gor s GLU 72 Ca 0.18 -0.84 -0.00 0.00 0.36 0.00 0.00 54.97 54.67 3gor s GLU 72 Cb -0.16 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.90 3gor s GLU 72 CO 0.09 -0.43 -0.02 -2.00 -0.54 0.00 0.00 175.26 172.36 3gor s GLU 73 N 1.50 0.66 0.01 4.30 2.56 -1.26 -5.02 118.70 121.44 3gor s GLU 73 Ca 0.03 0.01 0.29 0.00 0.00 0.00 0.00 54.97 55.30 3gor s GLU 73 Cb -0.17 -0.84 1.21 0.00 2.00 0.00 0.00 34.13 36.33 3gor s GLU 73 CO 0.02 -0.18 1.91 -2.30 -0.56 0.00 0.00 175.26 174.15 3gor n PRO 74 N 4.53 0.01 -0.25 4.30 -0.02 -1.26 -4.62 135.00 137.69 3gor n PRO 74 Ca -0.18 0.01 0.03 0.00 -2.02 0.00 0.00 63.50 61.34 3gor n PRO 74 Cb 0.50 -1.51 0.12 0.00 -0.02 0.00 0.00 33.50 32.59 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 0.05 0.00 -0.52 4.57 -2.02 -3.45 114.58 113.21 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 0.51 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3gor h GLU 75 CO 0.00 0.03 0.00 2.41 -1.18 0.00 0.00 179.01 180.27 3gor n THR 76 N -5.41 0.00 -2.31 0.32 -1.04 -1.26 -4.88 114.28 99.71 3gor n THR 76 Ca 0.11 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.69 3gor n THR 76 Cb 0.42 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.90 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 6.28 0.14 8.00 3.84 -1.26 -4.92 114.94 127.02 3gor s ASN 77 Ca 0.00 0.88 -0.28 0.00 0.21 0.00 0.00 52.86 53.68 3gor s ASN 77 Cb 0.00 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.14 3gor s ASN 77 CO 0.00 -1.47 1.58 -0.07 -2.79 0.00 0.00 177.10 174.35 3gor h LEU 78 N 12.39 -1.31 -0.73 3.21 3.38 -1.96 -1.53 115.31 128.75 3gor h LEU 78 Ca -0.28 0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.00 3gor h LEU 78 Cb 1.11 0.56 -0.09 0.00 0.09 0.00 0.00 40.66 42.33 3gor h LEU 78 CO 1.08 -0.39 0.31 0.00 0.09 0.00 0.00 178.44 179.53 3gor h ALA 79 N 0.30 1.02 -0.10 1.53 0.00 -1.91 0.44 119.26 120.53 3gor h ALA 79 Ca 0.11 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3gor h ALA 79 Cb 0.60 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gor h ALA 79 CO -0.47 -0.16 -0.09 -0.22 0.00 0.00 0.00 179.25 178.31 3gor h LYS 80 N 0.49 0.24 -0.79 0.00 3.64 -1.89 -1.64 116.57 116.62 3gor h LYS 80 Ca 0.39 -0.12 0.18 0.00 -1.27 0.00 0.00 60.65 59.82 3gor h LYS 80 Cb 0.54 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.25 3gor h LYS 80 CO -0.36 0.64 0.25 1.25 -2.27 0.00 0.00 179.45 178.96 3gor h LEU 81 N -0.15 0.12 0.12 5.20 5.85 -0.61 -0.81 115.31 125.03 3gor h LEU 81 Ca 0.02 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3gor h LEU 81 Cb 0.59 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3gor h LEU 81 CO 0.02 -0.01 -0.06 0.00 -0.34 0.00 0.00 178.44 178.05 3gor h ALA 82 N 1.64 -0.16 -0.48 1.25 0.00 0.31 -1.79 119.26 120.03 3gor h ALA 82 Ca 0.46 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 3gor h ALA 82 Cb 0.80 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3gor h ALA 82 CO -0.51 -0.59 -0.03 0.93 0.00 0.00 0.00 179.25 179.06 3gor h GLU 83 N -0.17 0.80 0.55 0.00 5.08 -0.91 -0.69 114.58 119.24 3gor h GLU 83 Ca -0.02 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3gor h GLU 83 Cb 0.13 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.30 3gor h GLU 83 CO 0.03 0.83 -0.26 1.15 -1.00 0.00 0.00 179.01 179.75 3gor h THR 84 N 0.75 0.45 0.00 1.13 2.02 -1.00 -2.22 112.91 114.04 3gor h THR 84 Ca 0.14 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 3gor h THR 84 Cb 0.49 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3gor h THR 84 CO 0.02 0.01 -0.24 1.88 0.37 0.00 0.00 175.52 177.56 3gor h TYR 85 N -0.78 0.00 -0.39 3.16 0.05 -1.23 -1.60 116.97 116.18 3gor h TYR 85 Ca -0.08 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.56 3gor h TYR 85 Cb 0.58 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 3gor h TYR 85 CO -0.03 0.24 -0.31 1.15 -1.05 0.00 0.00 178.16 178.16 3gor h THR 86 N 0.00 1.28 -0.47 -2.88 2.02 -1.09 -0.22 112.91 111.54 3gor h THR 86 Ca -0.00 -1.48 -0.06 0.00 0.77 0.00 0.00 66.41 65.64 3gor h THR 86 Cb 0.85 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 3gor h THR 86 CO 0.03 0.49 0.07 -0.08 0.37 0.00 0.00 175.52 176.40 3gor h GLU 87 N 0.70 0.79 -0.34 6.66 4.57 -1.13 0.09 114.58 125.93 3gor h GLU 87 Ca 0.07 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 3gor h GLU 87 Cb 0.89 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 3gor h GLU 87 CO 0.08 0.80 0.17 0.87 -1.18 0.00 0.00 179.01 179.76 3gor h LYS 88 N 0.66 0.49 -0.48 1.92 1.57 -1.22 -1.58 116.57 117.92 3gor h LYS 88 Ca 0.14 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3gor h LYS 88 Cb 0.40 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3gor h LYS 88 CO 0.01 0.43 0.22 1.15 -0.57 0.00 0.00 179.45 180.69 3gor h THR 89 N 0.42 1.20 -0.68 -0.16 2.02 -0.91 -1.59 112.91 113.20 3gor h THR 89 Ca 0.12 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.76 3gor h THR 89 Cb 0.10 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3gor h THR 89 CO -0.02 0.22 0.41 -0.09 0.37 0.00 0.00 175.52 176.41 3gor h ARG 90 N 0.64 0.76 -0.36 6.66 2.43 -0.80 -2.57 114.38 121.14 3gor h ARG 90 Ca 0.16 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.12 3gor h ARG 90 Cb 0.15 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3gor h ARG 90 CO -0.02 0.50 -0.43 1.96 -1.51 0.00 0.00 179.97 180.47 3gor h GLN 91 N 0.78 0.92 -0.08 0.20 4.20 -0.83 -0.86 115.11 119.44 3gor h GLN 91 Ca 0.29 -0.51 0.03 0.00 0.06 0.00 0.00 58.65 58.52 3gor h GLN 91 Cb 0.09 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3gor h GLN 91 CO -0.14 1.16 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.97 3gor h LEU 92 N 0.74 -0.43 -0.55 1.46 3.38 -1.14 -2.23 115.31 116.55 3gor h LEU 92 Ca 0.05 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3gor h LEU 92 Cb 1.03 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3gor h LEU 92 CO 0.10 -0.19 0.05 0.40 0.09 0.00 0.00 178.44 178.90 3gor h ILE 93 N -0.20 1.26 0.00 1.22 2.04 -1.31 -2.65 117.51 117.88 3gor h ILE 93 Ca 0.07 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3gor h ILE 93 Cb 0.30 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3gor h ILE 93 CO -0.20 0.37 -0.05 -0.08 0.00 0.00 0.00 178.15 178.19 3gor h GLU 94 N 0.81 0.00 -3.90 2.37 4.81 -0.97 -3.44 114.58 114.26 3gor h GLU 94 Ca 0.16 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.64 3gor h GLU 94 Cb 0.46 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.69 3gor h GLU 94 CO 0.02 0.05 1.90 -1.13 -0.73 0.00 0.00 179.01 179.12 3gor n SER 95 N -3.41 5.07 -4.28 1.04 3.41 -0.85 -4.88 113.62 109.72 3gor n SER 95 Ca -0.02 -3.06 -0.20 0.00 -0.26 0.00 0.00 58.87 55.33 3gor n SER 95 Cb 0.19 -1.52 -0.10 0.00 -0.26 0.00 0.00 64.21 62.53 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 1.54 1.92 0.32 4.04 1.04 -1.26 -5.10 113.70 116.20 3gor s SER 97 Ca 0.41 -1.46 0.17 0.00 0.48 0.00 0.00 55.95 55.55 3gor s SER 97 Cb 0.06 0.17 0.31 0.00 0.10 0.00 0.00 66.02 66.66 3gor s SER 97 CO 0.00 -0.75 1.56 0.44 0.98 0.00 0.00 173.24 175.47 3gor h ASP 98 N 2.16 0.00 0.73 7.02 5.19 -2.00 -2.93 116.42 126.59 3gor h ASP 98 Ca -0.38 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.91 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 0.62 0.44 -0.59 0.44 -3.12 0.00 0.00 179.24 177.03 3gor h ASP 99 N 0.00 0.00 -0.95 6.45 5.19 -2.04 -3.15 116.42 121.91 3gor h ASP 99 Ca -0.00 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.48 3gor h ASP 99 Cb 1.20 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.64 3gor h ASP 99 CO 0.06 0.59 0.62 0.44 -3.12 0.00 0.00 179.24 177.82 3gor h ASP 100 N 0.00 0.95 0.23 6.45 3.32 -1.94 0.76 116.42 126.20 3gor h ASP 100 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gor h ASP 100 Cb 1.11 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3gor h ASP 100 CO 0.08 0.60 0.00 0.49 -1.72 0.00 0.00 179.24 178.68 3gor n PHE 101 N -4.51 0.00 0.52 4.55 3.01 -1.19 -1.85 117.46 118.00 3gor n PHE 101 Ca 0.15 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.69 3gor n PHE 101 Cb 0.22 -0.41 -0.10 0.00 -0.01 0.00 0.00 39.48 39.17 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 -1.41 0.90 -4.74 4.37 8.00 0.23 -2.45 116.55 121.45 3gor n ASP 102 Ca 0.03 -0.62 -0.41 0.00 0.71 0.00 0.00 54.79 54.50 3gor n ASP 102 Cb 0.08 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.41 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 -1.57 2.33 -3.27 -1.24 0.63 -0.77 -4.62 116.66 108.13 3gor n ARG 103 Ca 0.01 0.82 -0.38 0.00 -0.92 0.00 0.00 57.85 57.38 3gor n ARG 103 Cb 0.30 -2.52 -0.06 0.00 0.45 0.00 0.00 32.46 30.63 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 5.04 -0.18 5.15 2.01 -1.26 -0.80 115.64 124.46 3gor s THR 104 Ca 0.57 1.09 -0.05 0.00 0.31 0.00 0.00 61.69 63.61 3gor s THR 104 Cb -0.50 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 3gor s THR 104 CO 0.61 0.39 -0.00 -0.76 -0.69 0.00 0.00 174.62 174.17 3gor s LEU 105 N 0.08 3.33 -0.76 4.42 1.43 -1.26 -4.94 118.68 120.98 3gor s LEU 105 Ca 0.28 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 3gor s LEU 105 Cb -0.17 -1.83 0.08 0.00 0.03 0.00 0.00 46.19 44.30 3gor s LEU 105 CO 0.14 0.11 1.08 -0.62 0.23 0.00 0.00 176.35 177.29 3gor s ASP 106 N 0.70 6.30 -0.15 2.29 -1.08 -1.26 -4.43 116.67 119.03 3gor s ASP 106 Ca -0.00 -1.21 0.18 0.00 -0.52 0.00 0.00 52.55 51.00 3gor s ASP 106 Cb -0.14 -2.44 0.36 0.00 -1.46 0.00 0.00 42.92 39.24 3gor s ASP 106 CO 0.02 -1.41 1.23 0.18 0.52 0.00 0.00 175.17 175.71 3gor n LEU 107 N 7.74 2.79 -0.27 -1.34 4.77 -1.01 -4.72 117.00 124.97 3gor n LEU 107 Ca 0.06 -3.16 -0.01 0.00 -0.03 0.00 0.00 56.01 52.88 3gor n LEU 107 Cb 0.47 -0.47 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 3gor n LEU 107 CO 0.62 0.77 1.15 0.74 -1.33 0.00 0.00 177.39 179.34 3gor h THR 108 N 0.52 1.03 0.00 -5.08 2.02 -1.79 0.50 112.91 110.10 3gor h THR 108 Ca 0.01 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3gor h THR 108 Cb 1.13 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3gor h THR 108 CO 0.06 0.16 0.17 0.00 0.37 0.00 0.00 175.52 176.29 3gor h ALA 109 N 1.37 1.17 0.00 6.16 0.00 -1.89 0.19 119.26 126.26 3gor h ALA 109 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3gor h ALA 109 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3gor h ALA 109 CO -0.17 -0.17 -0.51 -0.89 0.00 0.00 0.00 179.25 177.51 3gor n ILE 110 N -2.93 0.76 0.36 0.00 5.41 0.07 -4.74 119.36 118.29 3gor n ILE 110 Ca -0.02 0.21 0.09 0.00 1.00 0.00 0.00 62.75 64.03 3gor n ILE 110 Cb 0.23 -1.59 0.15 0.00 -0.71 0.00 0.00 39.64 37.72 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 -3.36 0.30 -3.54 1.39 3.72 0.15 -4.98 117.46 111.15 3gor n PHE 111 Ca -0.02 -0.19 -0.21 0.00 -0.05 0.00 0.00 57.45 56.97 3gor n PHE 111 Cb 0.25 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.11 -0.47 3.63 1.37 0.00 0.68 -4.91 105.19 106.60 3gor n GLY 112 Ca 0.14 0.20 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 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 0.54 2.61 -1.32 -1.22 -4.79 115.64 108.12 3gor s THR 113 Ca 0.36 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.85 3gor s THR 113 Cb -0.16 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.86 3gor s THR 113 CO 0.73 0.00 0.76 -1.10 -2.21 0.00 0.00 174.62 172.80 3gor s GLN 114 N -1.33 2.58 0.11 7.08 -0.21 -1.26 -2.39 119.66 124.24 3gor s GLN 114 Ca 0.08 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 54.68 3gor s GLN 114 Cb -0.01 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 3gor s GLN 114 CO -0.06 -0.67 0.26 -1.54 -2.12 0.00 0.00 175.29 171.17 3gor s SER 116 N -4.41 6.36 0.49 5.90 1.04 -1.26 -4.94 113.70 116.87 3gor s SER 116 Ca 0.57 0.25 0.16 0.00 0.48 0.00 0.00 55.95 57.40 3gor s SER 116 Cb -0.10 -1.95 1.18 0.00 0.10 0.00 0.00 66.02 65.25 3gor s SER 116 CO 0.38 0.10 2.08 0.74 0.98 0.00 0.00 173.24 177.51 3gor h THR 117 N 1.83 0.95 -0.21 2.02 2.02 -1.08 -1.17 112.91 117.27 3gor h THR 117 Ca -0.47 -0.06 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 3gor h THR 117 Cb 1.18 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 3gor h THR 117 CO 0.72 0.03 -0.29 0.00 0.37 0.00 0.00 175.52 176.35 3gor h ALA 118 N 1.85 0.32 -0.72 6.16 0.00 -1.77 -0.29 119.26 124.82 3gor h ALA 118 Ca 0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gor h ALA 118 Cb 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3gor h ALA 118 CO -0.02 0.32 0.43 1.96 0.00 0.00 0.00 179.25 181.94 3gor h GLN 119 N 0.24 0.98 -0.33 0.00 4.20 -1.74 0.03 115.11 118.49 3gor h GLN 119 Ca 0.02 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3gor h GLN 119 Cb 0.86 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3gor h GLN 119 CO 0.07 0.69 0.06 0.35 -0.67 0.00 0.00 178.83 179.33 3gor h PHE 120 N 0.99 0.57 -0.13 2.96 3.57 -1.03 -0.04 116.94 123.84 3gor h PHE 120 Ca 0.26 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 3gor h PHE 120 Cb -0.03 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3gor h PHE 120 CO 0.00 0.60 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.30 3gor h LEU 121 N 0.38 0.25 -0.68 0.59 3.38 -0.75 -1.96 115.31 116.51 3gor h LEU 121 Ca 0.10 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3gor h LEU 121 Cb 0.33 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3gor h LEU 121 CO 0.00 0.56 -0.16 -0.61 0.09 0.00 0.00 178.44 178.33 3gor h GLN 122 N 0.22 0.86 -0.96 1.13 5.75 -0.56 -2.31 115.11 119.23 3gor h GLN 122 Ca 0.03 -0.32 0.02 0.00 -0.15 0.00 0.00 58.65 58.23 3gor h GLN 122 Cb 0.67 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.11 3gor h GLN 122 CO 0.05 0.96 0.63 1.25 -2.65 0.00 0.00 178.83 179.07 3gor h LEU 123 N 0.76 1.08 -1.39 -2.39 5.85 -0.63 0.01 115.31 118.60 3gor h LEU 123 Ca 0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3gor h LEU 123 Cb 0.68 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3gor h LEU 123 CO 0.05 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 3gor n ALA 124 N -2.36 1.33 0.00 1.25 0.00 -0.77 -1.27 120.51 118.69 3gor n ALA 124 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3gor n ALA 124 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.64 0.00 -0.04 0.00 8.00 -0.01 -1.10 116.55 124.04 3gor n ASP 126 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3gor n ASP 126 Cb 0.04 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 0.47 -0.11 1.24 2.76 -1.44 0.14 115.15 118.21 3gor h HIS 127 Ca 0.00 -0.18 0.02 0.00 -2.20 0.00 0.00 60.37 58.02 3gor h HIS 127 Cb 0.00 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 3gor h HIS 127 CO 0.00 0.87 -0.04 1.49 -1.30 0.00 0.00 177.93 178.95 3gor h GLU 128 N -0.07 -0.02 -0.79 5.26 4.57 -1.38 -1.77 114.58 120.39 3gor h GLU 128 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3gor h GLU 128 Cb 0.86 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.42 3gor h GLU 128 CO 0.06 -0.01 0.43 0.82 -1.18 0.00 0.00 179.01 179.12 3gor h ILE 129 N -0.02 1.24 -0.10 2.32 2.04 -1.80 0.55 117.51 121.74 3gor h ILE 129 Ca 0.06 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3gor h ILE 129 Cb 0.10 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3gor h ILE 129 CO -0.12 0.27 -0.02 -0.74 0.00 0.00 0.00 178.15 177.54 3gor h HIS 130 N 1.10 -0.04 -0.03 1.37 2.76 -0.81 -1.85 115.15 117.65 3gor h HIS 130 Ca 0.28 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.31 3gor h HIS 130 Cb 0.04 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 3gor h HIS 130 CO 0.00 -0.03 -0.66 0.45 -1.30 0.00 0.00 177.93 176.39 3gor h HIS 131 N 0.01 0.17 -0.36 5.26 3.86 -0.91 -2.68 115.15 120.50 3gor h HIS 131 Ca 0.05 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 3gor h HIS 131 Cb 0.06 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3gor h HIS 131 CO -0.14 0.75 0.07 -0.22 0.86 0.00 0.00 177.93 179.25 3gor h LYS 132 N 0.09 0.53 -0.54 2.45 3.64 -0.77 -0.05 116.57 121.91 3gor h LYS 132 Ca -0.01 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3gor h LYS 132 Cb 1.18 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 3gor h LYS 132 CO 0.09 0.50 0.32 0.78 -2.27 0.00 0.00 179.45 178.87 3gor h GLY 133 N 0.77 0.79 0.99 5.01 0.00 -1.00 -1.62 103.07 108.01 3gor h GLY 133 Ca 0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3gor h GLY 133 CO -0.00 0.33 0.18 1.46 0.00 0.00 0.00 176.54 178.50 3gor h GLN 134 N 0.73 0.85 -0.79 4.80 4.20 -1.28 -2.89 115.11 120.73 3gor h GLN 134 Ca 0.19 -0.18 0.08 0.00 0.06 0.00 0.00 58.65 58.81 3gor h GLN 134 Cb 0.01 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 3gor h GLN 134 CO -0.03 0.77 0.52 1.25 -0.67 0.00 0.00 178.83 180.66 3gor h LEU 135 N 0.76 0.69 -0.89 1.46 5.85 -0.57 0.98 115.31 123.58 3gor h LEU 135 Ca 0.18 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3gor h LEU 135 Cb 0.27 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3gor h LEU 135 CO -0.01 0.42 0.56 -0.26 -0.34 0.00 0.00 178.44 178.82 3gor h PHE 136 N 0.77 1.04 -0.28 1.25 -1.00 -1.09 -0.35 116.94 117.29 3gor h PHE 136 Ca 0.36 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 61.08 3gor h PHE 136 Cb 0.37 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3gor h PHE 136 CO -0.00 0.56 -0.14 0.28 -1.61 0.00 0.00 178.31 177.40 3gor h VAL 137 N 1.05 1.30 0.08 -0.55 2.07 -0.83 -2.43 116.25 116.92 3gor h VAL 137 Ca 0.37 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3gor h VAL 137 Cb 0.11 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3gor h VAL 137 CO -0.15 0.39 -0.43 1.88 0.02 0.00 0.00 177.57 179.28 3gor h TYR 138 N 0.33 -1.22 -0.79 1.57 -1.99 -0.72 -1.46 116.97 112.69 3gor h TYR 138 Ca 0.06 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.87 3gor h TYR 138 Cb 0.66 0.52 -0.05 0.00 2.00 0.00 0.00 36.73 39.86 3gor h TYR 138 CO 0.06 -0.52 0.49 0.28 -0.00 0.00 0.00 178.16 178.47 3gor h VAL 139 N -0.64 1.07 -0.72 -2.88 2.07 -1.07 -0.28 116.25 113.80 3gor h VAL 139 Ca 0.03 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3gor h VAL 139 Cb 0.68 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3gor h VAL 139 CO -0.27 0.17 0.41 0.03 0.02 0.00 0.00 177.57 177.92 3gor h ARG 140 N 0.93 1.00 -1.92 1.57 3.08 -1.28 -2.78 114.38 114.98 3gor h ARG 140 Ca 0.33 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3gor h ARG 140 Cb 0.09 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3gor h ARG 140 CO -0.14 0.72 0.00 0.41 -1.07 0.00 0.00 179.97 179.89 3gor n GLY 141 N -1.23 0.48 0.00 0.04 0.00 -0.12 -3.88 105.19 100.48 3gor n GLY 141 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.34 0.37 3.72 -0.02 0.00 -1.12 -5.10 105.19 104.38 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 -0.18 3.64 -0.00 1.61 3.76 -1.06 -4.93 115.29 118.13 3gor s HIS 144 Ca 0.00 1.63 0.02 0.00 -0.15 0.00 0.00 55.06 56.56 3gor s HIS 144 Cb 0.00 -3.19 -0.03 0.00 1.11 0.00 0.00 32.58 30.46 3gor s HIS 144 CO 0.00 -0.33 0.04 2.41 -0.85 0.00 0.00 174.74 176.01 3gor n THR 145 N 3.29 0.01 -3.06 1.30 -1.04 -1.26 -4.01 114.28 109.51 3gor n THR 145 Ca 0.05 -0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.56 3gor n THR 145 Cb 0.49 0.37 -0.02 0.00 -1.82 0.00 0.00 70.33 69.35 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 -2.30 6.72 0.03 8.00 1.47 -1.26 -5.02 116.67 124.31 3gor s ASP 146 Ca -0.01 -2.34 0.03 0.00 1.18 0.00 0.00 52.55 51.41 3gor s ASP 146 Cb 0.01 -2.34 -0.04 0.00 -0.34 0.00 0.00 42.92 40.22 3gor s ASP 146 CO 0.09 -0.88 -0.00 -0.76 0.68 0.00 0.00 175.17 174.30 3gor s LEU 147 N 1.75 3.48 0.79 2.11 1.43 -1.26 -5.10 118.68 121.88 3gor s LEU 147 Ca 0.29 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 3gor s LEU 147 Cb -0.06 -2.06 0.07 0.00 0.03 0.00 0.00 46.19 44.16 3gor s LEU 147 CO -0.09 0.25 1.16 -2.84 0.23 0.00 0.00 176.35 175.06 3gor s PRO 148 N -1.78 1.89 0.50 1.29 0.02 -1.26 -4.98 135.00 130.68 3gor s PRO 148 Ca 0.21 1.54 -0.23 0.00 0.02 0.00 0.00 61.00 62.54 3gor s PRO 148 Cb -0.12 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.51 3gor s PRO 148 CO 0.13 -1.98 1.28 1.28 -0.33 0.00 0.00 177.00 177.37 3gor n LEU 149 N -3.30 4.68 0.33 -5.54 4.32 -1.26 -4.87 117.00 111.36 3gor n LEU 149 Ca 0.12 1.01 0.21 0.00 -0.02 0.00 0.00 56.01 57.33 3gor n LEU 149 Cb 0.51 -1.52 1.11 0.00 -1.62 0.00 0.00 43.42 41.90 3gor n LEU 149 CO 0.49 -0.76 1.17 2.19 -1.22 0.00 0.00 177.39 179.26 3gor h PHE 150 N 1.60 0.00 -3.77 -1.77 -0.00 -1.98 -3.40 116.94 107.62 3gor h PHE 150 Ca -0.49 0.00 -0.25 0.00 -0.00 0.00 0.00 57.97 57.23 3gor h PHE 150 Cb 1.31 0.00 -0.28 0.00 -0.00 0.00 0.00 35.95 36.98 3gor h PHE 150 CO 0.45 0.00 -0.73 0.54 -0.00 0.00 0.00 178.31 178.58 3gor s VAL 151 N -4.24 0.10 -2.20 0.88 0.11 -1.26 -4.85 120.40 108.93 3gor s VAL 151 Ca -0.05 -0.06 0.30 0.00 -2.93 0.00 0.00 61.98 59.25 3gor s VAL 151 Cb 0.13 -0.09 0.76 0.00 -1.53 0.00 0.00 36.38 35.65 3gor s VAL 151 CO 0.42 0.02 2.03 0.29 -3.33 0.00 0.00 175.10 174.54