#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nti n GLN 2 N 0.00 -3.60 -1.26 4.33 -0.06 -1.26 -4.88 117.38 110.65 1nti n GLN 2 Ca 0.00 2.72 -0.38 0.00 -2.00 0.00 0.00 57.00 57.34 1nti n GLN 2 Cb 0.00 -3.17 0.04 0.00 -4.06 0.00 0.00 30.24 23.05 1nti n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nti n ALA 3 N -1.40 -2.61 0.46 1.69 0.00 -1.26 -4.65 120.51 112.74 1nti n ALA 3 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.31 1nti n ALA 3 Cb 0.13 -1.57 0.26 0.00 0.00 0.00 0.00 19.45 18.26 1nti n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nti n GLU 4 N 0.73 0.10 0.12 0.00 -0.58 -1.26 -1.31 120.64 118.44 1nti n GLU 4 Ca 0.08 0.23 -0.09 0.00 -0.42 0.00 0.00 57.16 56.96 1nti n GLU 4 Cb 0.49 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.81 1nti n GLU 4 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1nti h PHE 5 N 0.00 -0.35 -0.09 -0.32 3.57 -1.89 0.30 116.94 118.16 1nti h PHE 5 Ca 0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1nti h PHE 5 Cb 0.13 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1nti h PHE 5 CO 0.00 -0.08 -0.33 -0.44 -2.23 0.00 0.00 178.31 175.23 1nti h ASP 6 N -1.03 0.17 -0.21 0.41 3.32 -1.86 0.15 116.42 117.37 1nti h ASP 6 Ca -0.04 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1nti h ASP 6 Cb 0.42 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1nti h ASP 6 CO 0.06 0.50 -0.02 0.50 -1.72 0.00 0.00 179.24 178.56 1nti h LYS 7 N 0.15 0.04 -0.45 3.56 3.64 -1.10 0.46 116.57 122.88 1nti h LYS 7 Ca 0.02 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1nti h LYS 7 Cb 0.66 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 1nti h LYS 7 CO 0.05 0.03 0.13 0.00 -2.27 0.00 0.00 179.45 177.38 1nti h ALA 8 N 1.19 0.52 -0.36 5.00 0.00 0.12 0.14 119.26 125.87 1nti h ALA 8 Ca 0.10 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1nti h ALA 8 Cb 0.13 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1nti h ALA 8 CO -0.18 -0.27 0.15 0.00 0.00 0.00 0.00 179.25 178.95 1nti h ALA 9 N 1.32 0.43 -0.34 0.00 0.00 0.40 0.33 119.26 121.41 1nti h ALA 9 Ca 0.21 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1nti h ALA 9 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1nti h ALA 9 CO -0.25 -0.23 -0.29 1.49 0.00 0.00 0.00 179.25 179.97 1nti h GLU 10 N 0.32 0.79 -0.22 0.00 4.81 0.27 -1.46 114.58 119.09 1nti h GLU 10 Ca 0.16 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1nti h GLU 10 Cb 0.11 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1nti h GLU 10 CO -0.14 1.03 -0.04 0.93 -0.73 0.00 0.00 179.01 180.06 1nti h GLU 11 N 0.57 0.42 -0.41 1.92 3.07 -0.48 -2.97 114.58 116.70 1nti h GLU 11 Ca 0.06 -0.15 0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1nti h GLU 11 Cb 0.87 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.70 1nti h GLU 11 CO 0.07 0.64 0.15 -0.24 -1.40 0.00 0.00 179.01 178.23 1nti h VAL 12 N 0.16 0.88 0.00 3.13 3.04 -0.26 0.26 116.25 123.45 1nti h VAL 12 Ca 0.06 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1nti h VAL 12 Cb 0.48 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 1nti h VAL 12 CO 0.02 0.06 0.12 0.29 -1.01 0.00 0.00 177.57 177.05 1nti n LYS 13 N -5.01 0.00 -0.49 4.17 5.02 -0.56 -0.39 118.16 120.91 1nti n LYS 13 Ca 0.03 0.17 0.05 0.00 -2.02 0.00 0.00 58.31 56.54 1nti n LYS 13 Cb 0.15 -1.62 0.09 0.00 -0.02 0.00 0.00 35.03 33.63 1nti n LYS 13 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nti n HIS 14 N -1.08 0.00 -1.85 2.13 8.25 0.88 -5.08 115.22 118.46 1nti n HIS 14 Ca 0.00 -0.68 -0.40 0.00 -0.26 0.00 0.00 57.72 56.38 1nti n HIS 14 Cb 0.12 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.11 1nti n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nti s LEU 15 N -1.59 4.16 0.57 2.41 1.43 0.48 -4.76 118.68 121.39 1nti s LEU 15 Ca 0.23 2.88 0.28 0.00 -1.03 0.00 0.00 54.13 56.48 1nti s LEU 15 Cb 0.22 -3.89 1.72 0.00 0.03 0.00 0.00 46.19 44.26 1nti s LEU 15 CO -0.02 -1.07 2.22 0.50 0.23 0.00 0.00 176.35 178.21 1nti h LYS 16 N 2.49 0.00 -5.26 1.70 1.63 -1.81 -3.43 116.57 111.90 1nti h LYS 16 Ca -0.51 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 58.84 1nti h LYS 16 Cb 1.26 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.75 1nti h LYS 16 CO 0.62 0.02 -0.63 0.99 -3.45 0.00 0.00 179.45 176.99 1nti s THR 17 N -4.63 1.25 -0.32 1.00 2.01 -1.26 -5.06 115.64 108.63 1nti s THR 17 Ca -0.05 -2.04 -0.16 0.00 0.31 0.00 0.00 61.69 59.76 1nti s THR 17 Cb 0.15 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 1nti s THR 17 CO 0.57 -0.15 0.40 -1.59 -0.69 0.00 0.00 174.62 173.16 1nti s LYS 18 N -3.85 3.71 1.12 4.92 -2.85 -1.26 -5.05 119.74 116.48 1nti s LYS 18 Ca 0.33 -0.23 -0.13 0.00 -1.00 0.00 0.00 55.97 54.94 1nti s LYS 18 Cb 0.07 -3.76 0.24 0.00 -2.06 0.00 0.00 37.83 32.32 1nti s LYS 18 CO 0.13 -0.48 0.92 -0.35 0.10 0.00 0.00 175.35 175.68 1nti n PRO 19 N 5.44 -1.96 -1.66 1.78 -0.04 -1.26 -4.97 135.00 132.34 1nti n PRO 19 Ca -0.08 -0.53 -0.31 0.00 -0.04 0.00 0.00 63.50 62.53 1nti n PRO 19 Cb 0.50 -2.15 0.04 0.00 -0.04 0.00 0.00 33.50 31.85 1nti n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nti s ALA 20 N -2.43 2.70 0.05 0.55 0.00 -1.26 -4.63 121.76 116.73 1nti s ALA 20 Ca 0.67 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 1nti s ALA 20 Cb -0.24 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1nti s ALA 20 CO 0.64 -1.14 0.97 -0.25 0.00 0.00 0.00 175.76 175.98 1nti n ASP 21 N -2.92 -0.30 -0.19 0.00 9.92 -1.26 0.25 116.55 122.06 1nti n ASP 21 Ca 0.08 1.04 0.14 0.00 -0.53 0.00 0.00 54.79 55.52 1nti n ASP 21 Cb 0.53 -0.33 0.47 0.00 -0.64 0.00 0.00 41.12 41.15 1nti n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1nti h GLU 22 N 0.00 0.47 0.20 -1.24 5.08 -1.97 0.30 114.58 117.42 1nti h GLU 22 Ca 0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1nti h GLU 22 Cb 0.12 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1nti h GLU 22 CO -0.27 0.31 -0.10 0.93 -1.00 0.00 0.00 179.01 178.89 1nti h GLU 23 N 0.48 -0.27 -0.54 2.33 5.08 -0.54 0.26 114.58 121.39 1nti h GLU 23 Ca 0.38 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1nti h GLU 23 Cb 0.80 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1nti h GLU 23 CO -0.14 0.05 0.29 0.00 -1.00 0.00 0.00 179.01 178.22 1nti h MET 24 N -0.60 0.76 -0.32 2.33 -0.00 -0.36 0.82 114.93 117.56 1nti h MET 24 Ca -0.03 -0.09 0.06 0.00 -0.00 0.00 0.00 59.70 59.64 1nti h MET 24 Cb 0.44 -0.15 -0.05 0.00 -0.00 0.00 0.00 31.60 31.84 1nti h MET 24 CO 0.05 0.59 0.01 -0.07 -0.00 0.00 0.00 176.91 177.48 1nti h LEU 25 N 0.72 -0.12 0.26 -0.10 3.38 -0.34 0.36 115.31 119.48 1nti h LEU 25 Ca 0.19 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1nti h LEU 25 Cb 0.06 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1nti h LEU 25 CO -0.03 -0.02 -0.25 0.15 0.09 0.00 0.00 178.44 178.37 1nti h PHE 26 N 0.10 -0.67 0.00 1.13 3.04 0.09 0.21 116.94 120.83 1nti h PHE 26 Ca 0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1nti h PHE 26 Cb 0.21 0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1nti h PHE 26 CO -0.23 -0.37 0.00 -0.89 -2.02 0.00 0.00 178.31 174.80 1nti n ILE 27 N -5.38 0.00 -0.21 1.41 2.08 0.23 -0.46 119.36 117.03 1nti n ILE 27 Ca -0.09 1.18 -0.05 0.00 0.56 0.00 0.00 62.75 64.35 1nti n ILE 27 Cb 0.28 -1.99 -0.05 0.00 -0.75 0.00 0.00 39.64 37.14 1nti n ILE 27 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nti n TYR 28 N -1.31 -0.21 0.25 1.39 4.19 0.12 -0.14 117.16 121.45 1nti n TYR 28 Ca 0.00 0.64 -0.18 0.00 3.31 0.00 0.00 57.90 61.67 1nti n TYR 28 Cb 0.00 -0.55 -0.10 0.00 0.49 0.00 0.00 39.34 39.18 1nti n TYR 28 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1nti h SER 29 N 0.00 -1.44 -0.88 2.98 4.64 -0.37 -1.19 113.55 117.30 1nti h SER 29 Ca 0.09 0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.58 1nti h SER 29 Cb 0.22 0.49 -0.06 0.00 -0.31 0.00 0.00 62.40 62.74 1nti h SER 29 CO -0.48 -0.64 0.56 0.45 -0.87 0.00 0.00 176.83 175.84 1nti h HIS 30 N -0.95 1.04 -0.34 4.77 3.86 0.66 0.45 115.15 124.64 1nti h HIS 30 Ca -0.05 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1nti h HIS 30 Cb 0.85 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1nti h HIS 30 CO -0.30 0.56 0.20 -0.92 0.86 0.00 0.00 177.93 178.33 1nti h TYR 31 N 1.05 0.37 0.01 2.45 3.20 -0.23 0.64 116.97 124.46 1nti h TYR 31 Ca 0.37 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.25 1nti h TYR 31 Cb 0.10 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1nti h TYR 31 CO -0.02 0.22 -0.01 0.87 -1.64 0.00 0.00 178.16 177.58 1nti h LYS 32 N 0.40 -0.02 0.00 1.82 1.79 -0.55 -0.48 116.57 119.54 1nti h LYS 32 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1nti h LYS 32 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1nti h LYS 32 CO -0.06 0.16 0.00 0.94 -1.08 0.00 0.00 179.45 179.41 1nti n GLN 33 N -5.02 0.32 -0.09 3.15 -0.06 0.09 -0.75 117.38 115.02 1nti n GLN 33 Ca -0.08 0.09 -0.16 0.00 -2.00 0.00 0.00 57.00 54.86 1nti n GLN 33 Cb 0.11 -1.50 -0.13 0.00 -4.06 0.00 0.00 30.24 24.66 1nti n GLN 33 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nti n ALA 34 N -1.24 1.35 -0.12 1.69 0.00 0.22 -3.74 120.51 118.66 1nti n ALA 34 Ca 0.10 -1.03 -0.24 0.00 0.00 0.00 0.00 53.44 52.27 1nti n ALA 34 Cb 0.14 -0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.19 1nti n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nti n THR 35 N -3.17 1.52 -0.08 0.00 -2.24 -0.23 -4.51 114.28 105.57 1nti n THR 35 Ca -0.37 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 60.98 1nti n THR 35 Cb 1.05 -2.00 -0.12 0.00 -2.10 0.00 0.00 70.33 67.16 1nti n THR 35 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1nti h VAL 36 N -1.00 0.86 0.00 2.28 2.07 -1.32 -3.51 116.25 115.63 1nti h VAL 36 Ca -0.51 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 64.80 1nti h VAL 36 Cb 1.42 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1nti h VAL 36 CO -0.31 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.34 1nti n GLY 37 N 1.56 0.43 3.31 2.17 0.00 0.07 -4.99 105.19 107.73 1nti n GLY 37 Ca -0.32 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 1nti n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nti n ASP 38 N 0.00 -2.62 -4.59 1.61 9.92 -1.26 -3.35 116.55 116.26 1nti n ASP 38 Ca 0.00 0.14 -0.43 0.00 -0.53 0.00 0.00 54.79 53.98 1nti n ASP 38 Cb 0.00 -1.04 -0.04 0.00 -0.64 0.00 0.00 41.12 39.40 1nti n ASP 38 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1nti s ILE 39 N -2.28 4.52 -0.27 0.53 2.07 -1.26 -4.76 121.20 119.75 1nti s ILE 39 Ca 0.54 1.04 0.08 0.00 -1.41 0.00 0.00 60.65 60.89 1nti s ILE 39 Cb -0.16 -4.39 0.18 0.00 0.13 0.00 0.00 42.46 38.22 1nti s ILE 39 CO 0.68 -0.68 1.13 -0.46 -1.91 0.00 0.00 174.94 173.71 1nti n ASN 40 N 6.99 2.47 -4.93 4.50 6.94 -1.26 -4.96 115.26 125.01 1nti n ASN 40 Ca 0.07 -2.30 -0.27 0.00 -0.02 0.00 0.00 54.58 52.06 1nti n ASN 40 Cb 0.48 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.68 1nti n ASN 40 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1nti s THR 41 N -1.52 5.28 -0.02 5.53 -4.23 -1.26 -5.07 115.64 114.35 1nti s THR 41 Ca 0.15 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 59.73 1nti s THR 41 Cb 0.11 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 1nti s THR 41 CO 0.05 -0.03 1.02 -1.61 -0.54 0.00 0.00 174.62 173.51 1nti s GLU 42 N -3.04 4.50 0.05 3.99 0.41 -1.26 -4.99 118.70 118.37 1nti s GLU 42 Ca 0.34 1.47 -0.32 0.00 -0.41 0.00 0.00 54.97 56.05 1nti s GLU 42 Cb -0.11 -3.47 -0.11 0.00 -1.78 0.00 0.00 34.13 28.66 1nti s GLU 42 CO 0.28 -0.15 1.86 -2.13 -0.49 0.00 0.00 175.26 174.62 1nti n ARG 43 N 4.22 2.57 -0.08 1.61 0.63 -1.26 -4.85 116.66 119.50 1nti n ARG 43 Ca 0.07 0.94 -0.00 0.00 -0.92 0.00 0.00 57.85 57.94 1nti n ARG 43 Cb 0.50 -2.82 0.01 0.00 0.45 0.00 0.00 32.46 30.59 1nti n ARG 43 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nti n PRO 44 N 6.16 -0.05 0.00 -0.14 -0.01 -1.26 -4.93 135.00 134.76 1nti n PRO 44 Ca 0.20 0.33 0.00 0.00 -0.01 0.00 0.00 63.50 64.02 1nti n PRO 44 Cb 0.35 -0.49 0.00 0.00 -0.01 0.00 0.00 33.50 33.35 1nti n PRO 44 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1nti n GLY 45 N -1.10 -1.86 0.46 -1.23 0.00 -1.26 -4.57 105.19 95.63 1nti n GLY 45 Ca 0.02 -2.15 0.37 0.00 0.00 0.00 0.00 46.02 44.27 1nti n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nti n MET 46 N -0.10 -0.02 -1.48 1.61 2.81 -1.26 -4.61 117.12 114.07 1nti n MET 46 Ca 0.00 0.97 -0.06 0.00 -1.81 0.00 0.00 57.70 56.80 1nti n MET 46 Cb 0.00 -2.03 0.02 0.00 -0.71 0.00 0.00 33.22 30.50 1nti n MET 46 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1nti n LEU 47 N -4.04 0.00 0.00 4.03 7.99 -1.26 -4.82 117.00 118.89 1nti n LEU 47 Ca 0.34 -0.71 0.00 0.00 -0.01 0.00 0.00 56.01 55.64 1nti n LEU 47 Cb 1.43 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 44.59 1nti n LEU 47 CO 0.23 -0.58 0.00 -0.67 -1.51 0.00 0.00 177.39 174.86 1nti n ASP 48 N -2.85 0.00 0.00 -1.43 -0.08 -1.26 -4.73 116.55 106.20 1nti n ASP 48 Ca 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1nti n ASP 48 Cb 0.18 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1nti n ASP 48 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1nti n PHE 49 N 0.00 0.00 -0.25 -0.67 3.72 -1.26 -4.02 117.46 114.97 1nti n PHE 49 Ca 0.00 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.58 1nti n PHE 49 Cb 0.00 0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.02 1nti n PHE 49 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1nti h LYS 50 N 0.00 0.45 -0.03 -1.08 2.10 -2.02 -1.90 116.57 114.08 1nti h LYS 50 Ca 0.00 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.53 1nti h LYS 50 Cb 0.00 -0.10 0.01 0.00 -0.90 0.00 0.00 32.23 31.24 1nti h LYS 50 CO 0.00 0.30 -0.33 0.78 -2.00 0.00 0.00 179.45 178.20 1nti h GLY 51 N 0.46 0.30 -0.87 0.07 0.00 -1.92 -3.22 103.07 97.90 1nti h GLY 51 Ca 0.48 -0.47 0.30 0.00 0.00 0.00 0.00 47.33 47.63 1nti h GLY 51 CO -0.20 0.42 0.18 0.07 0.00 0.00 0.00 176.54 177.02 1nti h LYS 52 N -0.30 0.05 0.04 4.80 5.09 -1.64 0.91 116.57 125.52 1nti h LYS 52 Ca -0.03 -0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.72 1nti h LYS 52 Cb 1.03 -0.01 -0.03 0.00 0.10 0.00 0.00 32.23 33.32 1nti h LYS 52 CO 0.07 0.03 -0.16 0.00 -2.09 0.00 0.00 179.45 177.29 1nti h ALA 53 N 1.95 -0.23 -0.98 0.07 0.00 -1.53 0.21 119.26 118.74 1nti h ALA 53 Ca 0.64 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.59 1nti h ALA 53 Cb 1.43 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 1nti h ALA 53 CO -0.83 -0.67 0.64 0.87 0.00 0.00 0.00 179.25 179.26 1nti h LYS 54 N -0.29 1.19 0.64 0.00 6.56 0.65 0.39 116.57 125.70 1nti h LYS 54 Ca 0.04 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.53 1nti h LYS 54 Cb 0.34 -0.27 0.01 0.00 -0.57 0.00 0.00 32.23 31.74 1nti h LYS 54 CO -0.13 0.79 -0.31 2.35 -2.06 0.00 0.00 179.45 180.09 1nti h TRP 55 N 1.22 -0.80 -0.45 -1.35 7.01 -0.19 0.11 115.95 121.50 1nti h TRP 55 Ca 0.40 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.46 1nti h TRP 55 Cb 0.04 0.26 -0.07 0.00 -2.10 0.00 0.00 29.16 27.30 1nti h TRP 55 CO -0.00 -0.50 0.05 -0.44 -2.79 0.00 0.00 178.44 174.76 1nti h ASP 56 N -1.05 -0.08 -0.91 2.65 3.32 -0.49 0.37 116.42 120.23 1nti h ASP 56 Ca -0.09 0.09 0.17 0.00 0.02 0.00 0.00 57.03 57.22 1nti h ASP 56 Cb 0.66 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.28 1nti h ASP 56 CO 0.15 -0.01 0.59 0.00 -1.72 0.00 0.00 179.24 178.25 1nti h ALA 57 N 1.37 1.90 0.01 3.45 0.00 -0.17 0.21 119.26 126.03 1nti h ALA 57 Ca 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1nti h ALA 57 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nti h ALA 57 CO -0.33 -0.17 -0.17 2.35 0.00 0.00 0.00 179.25 180.93 1nti h TRP 58 N 0.63 0.16 -0.91 0.00 7.01 0.13 -3.21 115.95 119.76 1nti h TRP 58 Ca 0.47 -0.09 0.24 0.00 2.11 0.00 0.00 58.89 61.63 1nti h TRP 58 Cb 0.86 -0.02 -0.16 0.00 -2.10 0.00 0.00 29.16 27.74 1nti h TRP 58 CO -0.00 0.93 0.09 -0.97 -2.79 0.00 0.00 178.44 175.70 1nti h ASN 59 N -0.66 -0.31 -1.14 2.65 -1.24 0.17 0.42 115.58 115.46 1nti h ASN 59 Ca -0.02 0.24 0.32 0.00 0.71 0.00 0.00 56.30 57.55 1nti h ASN 59 Cb 0.99 0.39 -0.09 0.00 0.73 0.00 0.00 38.32 40.34 1nti h ASN 59 CO 0.03 -0.27 0.76 -0.33 -1.29 0.00 0.00 177.43 176.34 1nti h GLU 60 N 0.08 0.23 0.00 6.67 5.08 -0.68 -0.07 114.58 125.90 1nti h GLU 60 Ca 0.55 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.87 1nti h GLU 60 Cb 1.11 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1nti h GLU 60 CO -0.79 0.15 -0.48 -0.07 -1.00 0.00 0.00 179.01 176.82 1nti h LEU 61 N 0.24 0.00 -8.40 1.33 3.38 -0.24 -3.48 115.31 108.13 1nti h LEU 61 Ca 0.64 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 57.83 1nti h LEU 61 Cb 1.93 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.70 1nti h LEU 61 CO -0.25 0.10 0.36 1.17 0.09 0.00 0.00 178.44 179.91 1nti n LYS 62 N -2.97 0.00 0.00 1.13 0.00 -0.04 -0.27 118.16 116.02 1nti n LYS 62 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 1nti n LYS 62 Cb 0.58 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 34.21 1nti n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nti n GLY 63 N 2.60 1.89 3.70 3.14 0.00 -1.26 -5.03 105.19 110.23 1nti n GLY 63 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1nti n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nti s THR 64 N -2.09 3.71 0.70 2.61 2.01 0.63 -4.99 115.64 118.22 1nti s THR 64 Ca 0.00 1.18 -0.11 0.00 0.31 0.00 0.00 61.69 63.07 1nti s THR 64 Cb 0.00 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1nti s THR 64 CO 0.00 0.06 1.07 -0.55 -0.69 0.00 0.00 174.62 174.50 1nti s SER 65 N 1.35 5.25 0.23 3.53 0.15 -1.26 -4.85 113.70 118.10 1nti s SER 65 Ca 0.62 1.67 -0.16 0.00 0.70 0.00 0.00 55.95 58.78 1nti s SER 65 Cb -0.32 -2.50 0.26 0.00 -1.71 0.00 0.00 66.02 61.75 1nti s SER 65 CO 0.28 -1.53 1.56 0.11 1.20 0.00 0.00 173.24 174.86 1nti h LYS 66 N -0.70 -0.02 -0.23 5.44 1.57 -1.79 -2.26 116.57 118.56 1nti h LYS 66 Ca -0.44 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.39 1nti h LYS 66 Cb 1.21 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1nti h LYS 66 CO 0.56 -0.02 -0.07 0.93 -0.57 0.00 0.00 179.45 180.28 1nti h GLU 67 N -0.02 -0.02 -0.19 3.15 3.07 -1.88 0.40 114.58 119.08 1nti h GLU 67 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1nti h GLU 67 Cb 0.61 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1nti h GLU 67 CO -0.94 -0.01 0.13 -0.44 -1.40 0.00 0.00 179.01 176.34 1nti h ASP 68 N -0.02 0.22 0.29 1.42 5.19 -1.79 -0.05 116.42 121.68 1nti h ASP 68 Ca 0.12 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1nti h ASP 68 Cb 0.19 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.64 1nti h ASP 68 CO -0.25 0.16 -0.17 0.00 -3.12 0.00 0.00 179.24 175.85 1nti h ALA 69 N 1.07 -0.43 -0.71 3.45 0.00 -1.19 0.24 119.26 121.69 1nti h ALA 69 Ca 0.07 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1nti h ALA 69 Cb -0.03 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 1nti h ALA 69 CO -0.02 -0.75 -0.43 0.52 0.00 0.00 0.00 179.25 178.57 1nti h MET 70 N -0.44 -0.14 0.07 0.00 2.86 0.35 0.23 114.93 117.85 1nti h MET 70 Ca -0.03 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1nti h MET 70 Cb 0.36 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1nti h MET 70 CO 0.03 -0.10 -0.04 -0.22 1.06 0.00 0.00 176.91 177.65 1nti h LYS 71 N -0.15 -0.10 -0.86 1.72 3.64 -0.84 0.39 116.57 120.37 1nti h LYS 71 Ca 0.22 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.80 1nti h LYS 71 Cb 0.55 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.28 1nti h LYS 71 CO -0.77 0.21 0.37 0.00 -2.27 0.00 0.00 179.45 176.99 1nti h ALA 72 N 0.48 1.33 -1.15 5.00 0.00 0.25 0.20 119.26 125.38 1nti h ALA 72 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nti h ALA 72 Cb 0.36 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nti h ALA 72 CO 0.02 -0.29 0.00 0.98 0.00 0.00 0.00 179.25 179.96 1nti n TYR 73 N -5.02 0.00 -0.32 0.00 9.36 0.72 -0.76 117.16 121.14 1nti n TYR 73 Ca 0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.42 1nti n TYR 73 Cb 0.58 -0.31 0.05 0.00 -0.63 0.00 0.00 39.34 39.03 1nti n TYR 73 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1nti n ILE 74 N -1.43 -0.43 0.08 2.97 5.41 0.14 -0.23 119.36 125.87 1nti n ILE 74 Ca 0.00 1.99 -0.04 0.00 1.00 0.00 0.00 62.75 65.70 1nti n ILE 74 Cb 0.00 -2.65 -0.02 0.00 -0.71 0.00 0.00 39.64 36.25 1nti n ILE 74 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1nti h ASP 75 N 0.00 -0.32 -0.76 4.38 3.32 -0.68 0.23 116.42 122.59 1nti h ASP 75 Ca 0.32 0.02 0.22 0.00 0.02 0.00 0.00 57.03 57.61 1nti h ASP 75 Cb 0.53 0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.04 1nti h ASP 75 CO -0.85 -0.16 0.06 1.17 -1.72 0.00 0.00 179.24 177.73 1nti n LYS 76 N -2.99 -0.06 0.06 3.56 0.00 0.45 0.17 118.16 119.35 1nti n LYS 76 Ca -0.03 1.14 -0.13 0.00 0.00 0.00 0.00 58.31 59.29 1nti n LYS 76 Cb 0.11 -1.83 -0.09 0.00 0.00 0.00 0.00 35.03 33.23 1nti n LYS 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1nti h VAL 77 N 0.00 1.03 -0.73 3.15 2.07 -0.06 0.11 116.25 121.81 1nti h VAL 77 Ca 0.49 -0.91 0.16 0.00 0.82 0.00 0.00 66.70 67.26 1nti h VAL 77 Cb 1.05 1.57 -0.11 0.00 -1.52 0.00 0.00 31.29 32.27 1nti h VAL 77 CO -0.70 0.21 0.12 -0.08 0.02 0.00 0.00 177.57 177.14 1nti h GLU 78 N -0.64 0.21 0.74 1.57 4.81 0.51 0.68 114.58 122.46 1nti h GLU 78 Ca -0.02 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1nti h GLU 78 Cb 0.48 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.82 1nti h GLU 78 CO 0.03 0.14 -0.36 0.93 -0.73 0.00 0.00 179.01 179.02 1nti h GLU 79 N 0.21 -0.96 -1.14 1.92 3.07 -0.44 0.65 114.58 117.89 1nti h GLU 79 Ca 0.41 0.07 0.33 0.00 -0.50 0.00 0.00 59.36 59.67 1nti h GLU 79 Cb 0.71 0.22 -0.05 0.00 -0.84 0.00 0.00 28.75 28.80 1nti h GLU 79 CO -0.55 -0.64 0.83 -0.07 -1.40 0.00 0.00 179.01 177.18 1nti h LEU 80 N -1.05 0.00 0.02 1.33 3.38 0.50 0.35 115.31 119.84 1nti h LEU 80 Ca -0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1nti h LEU 80 Cb 0.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1nti h LEU 80 CO 0.17 0.00 -0.37 0.50 0.09 0.00 0.00 178.44 178.82 1nti h LYS 81 N 0.00 0.21 -0.77 1.13 3.64 0.76 0.40 116.57 121.94 1nti h LYS 81 Ca 0.54 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1nti h LYS 81 Cb 2.20 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 34.06 1nti h LYS 81 CO -0.01 1.02 0.48 0.87 -2.27 0.00 0.00 179.45 179.54 1nti h LYS 82 N -0.47 1.03 0.13 1.90 1.79 0.15 0.16 116.57 121.25 1nti h LYS 82 Ca -0.05 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1nti h LYS 82 Cb 1.16 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1nti h LYS 82 CO 0.07 0.70 -0.06 -0.22 -1.08 0.00 0.00 179.45 178.86 1nti h LYS 83 N 1.05 -0.17 0.00 3.15 3.64 -0.40 -3.41 116.57 120.44 1nti h LYS 83 Ca 0.28 0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.33 1nti h LYS 83 Cb -0.07 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.72 1nti h LYS 83 CO -0.06 0.28 -2.28 0.66 -2.27 0.00 0.00 179.45 175.79 1nti n TYR 84 N -4.93 0.00 0.00 1.91 4.01 0.14 -5.06 117.16 113.23 1nti n TYR 84 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1nti n TYR 84 Cb 0.27 -0.92 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 1nti n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nti n GLY 85 N 1.86 -1.42 0.00 2.72 0.00 0.56 -4.57 105.19 104.34 1nti n GLY 85 Ca -0.31 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.65 1nti n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83