#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwe s LEU 3 N 0.00 4.19 -0.20 2.46 1.43 0.28 -4.94 118.68 121.90 2bwe s LEU 3 Ca 0.00 0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 2bwe s LEU 3 Cb 0.00 -3.36 0.06 0.00 0.03 0.00 0.00 46.19 42.93 2bwe s LEU 3 CO 0.00 -0.05 0.06 0.21 0.23 0.00 0.00 176.35 176.80 2bwe s ASN 4 N -2.83 2.89 0.04 2.29 3.84 -1.26 -0.94 114.94 118.97 2bwe s ASN 4 Ca 0.42 -0.86 0.08 0.00 0.21 0.00 0.00 52.86 52.71 2bwe s ASN 4 Cb -0.11 -0.52 -0.03 0.00 -0.55 0.00 0.00 41.25 40.04 2bwe s ASN 4 CO 0.27 -0.33 -0.21 -0.63 -2.79 0.00 0.00 177.10 173.40 2bwe s ILE 5 N 1.92 2.54 0.28 -5.21 1.01 -0.71 -1.68 121.20 119.34 2bwe s ILE 5 Ca 0.01 -1.26 -0.21 0.00 0.00 0.00 0.00 60.65 59.19 2bwe s ILE 5 Cb -0.17 -2.04 -0.09 0.00 0.01 0.00 0.00 42.46 40.17 2bwe s ILE 5 CO -0.11 0.35 0.81 -1.00 0.00 0.00 0.00 174.94 174.99 2bwe s HIS 6 N -0.87 3.61 -0.04 3.97 3.76 -0.29 -1.69 115.29 123.73 2bwe s HIS 6 Ca 0.13 1.51 0.07 0.00 -0.15 0.00 0.00 55.06 56.61 2bwe s HIS 6 Cb -0.10 -2.72 -0.02 0.00 1.11 0.00 0.00 32.58 30.85 2bwe s HIS 6 CO 0.04 0.24 -0.24 0.42 -0.85 0.00 0.00 174.74 174.35 2bwe s ILE 7 N -1.65 2.16 -0.02 0.60 -1.09 -0.34 -1.05 121.20 119.81 2bwe s ILE 7 Ca 0.48 -1.05 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2bwe s ILE 7 Cb -0.16 -1.77 -0.00 0.00 -1.58 0.00 0.00 42.46 38.94 2bwe s ILE 7 CO 0.21 0.58 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.83 2bwe s LYS 8 N -0.40 1.19 0.31 2.79 1.02 -1.06 -2.55 119.74 121.05 2bwe s LYS 8 Ca 0.04 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.62 2bwe s LYS 8 Cb -0.12 -1.10 -0.04 0.00 -0.52 0.00 0.00 37.83 36.06 2bwe s LYS 8 CO 0.01 0.21 0.15 -1.12 -0.92 0.00 0.00 175.35 173.69 2bwe s SER 9 N -0.03 1.67 0.00 2.83 0.01 -1.09 0.25 113.70 117.33 2bwe s SER 9 Ca -0.00 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 55.70 2bwe s SER 9 Cb -0.08 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2bwe s SER 9 CO 0.00 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2bwe n GLY 10 N -0.61 0.26 1.10 3.44 0.00 -1.26 -0.02 105.19 108.10 2bwe n GLY 10 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 2bwe n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bwe n GLN 11 N 0.48 2.05 -4.03 1.61 0.00 -1.26 -5.06 117.38 111.17 2bwe n GLN 11 Ca 0.00 -3.42 -0.28 0.00 0.00 0.00 0.00 57.00 53.30 2bwe n GLN 11 Cb 0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 30.24 28.37 2bwe n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2bwe s ASP 12 N -3.01 5.79 0.12 2.61 1.01 0.98 -5.13 116.67 119.03 2bwe s ASP 12 Ca 0.43 0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.73 2bwe s ASP 12 Cb 0.40 -1.61 -0.04 0.00 1.01 0.00 0.00 42.92 42.67 2bwe s ASP 12 CO -0.03 0.10 -0.09 -0.54 0.21 0.00 0.00 175.17 174.83 2bwe s LYS 13 N -2.91 0.92 -0.20 8.23 3.01 -1.26 -2.69 119.74 124.84 2bwe s LYS 13 Ca 0.32 -1.34 -0.20 0.00 -1.01 0.00 0.00 55.97 53.74 2bwe s LYS 13 Cb -0.11 -0.43 0.05 0.00 -1.01 0.00 0.00 37.83 36.33 2bwe s LYS 13 CO 0.25 0.04 0.56 -1.58 0.51 0.00 0.00 175.35 175.13 2bwe s TRP 14 N -3.26 -0.61 0.04 3.18 0.51 -1.06 -4.97 118.94 112.77 2bwe s TRP 14 Ca 0.12 1.48 -0.08 0.00 -2.12 0.00 0.00 56.10 55.50 2bwe s TRP 14 Cb 0.03 0.22 -0.05 0.00 -0.81 0.00 0.00 33.47 32.85 2bwe s TRP 14 CO -0.02 -0.31 0.34 -2.00 -0.51 0.00 0.00 176.95 174.45 2bwe s GLU 15 N 0.21 3.68 0.01 4.98 2.56 -1.26 -1.20 118.70 127.69 2bwe s GLU 15 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.97 55.03 2bwe s GLU 15 Cb -0.04 -3.04 -0.01 0.00 2.00 0.00 0.00 34.13 33.03 2bwe s GLU 15 CO 0.01 0.61 -0.02 0.14 -0.56 0.00 0.00 175.26 175.44 2bwe s VAL 16 N -1.34 0.10 0.02 3.70 -7.23 -0.68 -4.98 120.40 109.98 2bwe s VAL 16 Ca 0.30 -0.63 -0.18 0.00 -1.81 0.00 0.00 61.98 59.66 2bwe s VAL 16 Cb -0.14 -0.20 -0.06 0.00 0.56 0.00 0.00 36.38 36.55 2bwe s VAL 16 CO 0.17 -0.34 0.51 0.20 -0.31 0.00 0.00 175.10 175.34 2bwe s ASN 17 N -1.00 6.94 -0.12 4.85 0.01 -1.26 -1.74 114.94 122.61 2bwe s ASN 17 Ca -0.11 1.12 -0.11 0.00 -0.71 0.00 0.00 52.86 53.05 2bwe s ASN 17 Cb -0.07 -2.32 0.03 0.00 0.41 0.00 0.00 41.25 39.31 2bwe s ASN 17 CO -0.01 0.25 0.33 -0.69 -1.51 0.00 0.00 177.10 175.47 2bwe s VAL 18 N -0.84 -0.00 0.26 1.60 1.01 -0.12 -4.99 120.40 117.31 2bwe s VAL 18 Ca 0.27 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 2bwe s VAL 18 Cb -0.18 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.64 2bwe s VAL 18 CO 0.16 0.00 1.10 0.00 0.00 0.00 0.00 175.10 176.36 2bwe s ALA 19 N 0.26 3.40 0.34 5.51 0.00 -1.26 0.10 121.76 130.11 2bwe s ALA 19 Ca -0.01 0.87 0.14 0.00 0.00 0.00 0.00 51.96 52.96 2bwe s ALA 19 Cb -0.03 -3.33 1.05 0.00 0.00 0.00 0.00 23.12 20.82 2bwe s ALA 19 CO -0.00 -0.16 1.68 -1.35 0.00 0.00 0.00 175.76 175.92 2bwe h PRO 20 N 4.13 0.36 -0.53 0.00 0.11 -1.93 -1.53 132.00 132.61 2bwe h PRO 20 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2bwe h PRO 20 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2bwe h PRO 20 CO 0.68 0.24 0.06 -0.85 -0.21 0.00 0.00 178.00 177.92 2bwe n GLU 21 N -5.02 4.10 -2.08 1.05 0.00 -1.26 -1.67 120.64 115.76 2bwe n GLU 21 Ca 0.31 -3.08 -0.37 0.00 0.00 0.00 0.00 57.16 54.02 2bwe n GLU 21 Cb 0.94 -2.15 0.02 0.00 0.00 0.00 0.00 31.44 30.25 2bwe n GLU 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2bwe s SER 22 N -1.17 5.56 1.12 -1.84 0.01 -0.58 -4.82 113.70 111.97 2bwe s SER 22 Ca 0.52 2.40 -0.15 0.00 1.31 0.00 0.00 55.95 60.02 2bwe s SER 22 Cb 0.41 -2.60 0.25 0.00 0.21 0.00 0.00 66.02 64.28 2bwe s SER 22 CO 0.13 -1.34 1.08 0.42 0.41 0.00 0.00 173.24 173.94 2bwe s THR 23 N -1.56 1.83 0.23 1.44 -4.23 -1.26 -1.84 115.64 110.25 2bwe s THR 23 Ca 0.72 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 61.34 2bwe s THR 23 Cb -0.31 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 2bwe s THR 23 CO 0.35 0.00 1.58 0.58 -0.54 0.00 0.00 174.62 176.59 2bwe h VAL 24 N -2.33 1.40 -0.49 2.29 2.07 -0.79 -2.10 116.25 116.28 2bwe h VAL 24 Ca -0.52 -2.21 -0.08 0.00 0.82 0.00 0.00 66.70 64.71 2bwe h VAL 24 Cb 1.32 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 2bwe h VAL 24 CO 0.48 0.62 -0.00 0.25 0.02 0.00 0.00 177.57 178.93 2bwe h LEU 25 N 0.00 0.86 -0.03 2.57 5.85 -1.68 0.18 115.31 123.06 2bwe h LEU 25 Ca -0.01 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.42 2bwe h LEU 25 Cb 1.16 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2bwe h LEU 25 CO 0.08 0.96 -0.05 1.56 -0.34 0.00 0.00 178.44 180.65 2bwe h GLN 26 N 0.74 -0.08 -0.86 1.25 7.50 -1.85 -1.33 115.11 120.47 2bwe h GLN 26 Ca 0.14 0.01 0.12 0.00 0.50 0.00 0.00 58.65 59.41 2bwe h GLN 26 Cb 0.52 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 28.00 2bwe h GLN 26 CO 0.03 -0.05 0.56 0.35 -1.50 0.00 0.00 178.83 178.21 2bwe h PHE 27 N -0.08 0.84 0.31 2.96 3.57 -1.05 0.14 116.94 123.64 2bwe h PHE 27 Ca 0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2bwe h PHE 27 Cb 0.13 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.60 2bwe h PHE 27 CO -0.14 0.36 -0.15 0.87 -2.23 0.00 0.00 178.31 177.01 2bwe h LYS 28 N 0.75 -0.41 -0.88 1.11 1.57 -0.15 -1.73 116.57 116.84 2bwe h LYS 28 Ca 0.42 0.03 0.23 0.00 -1.87 0.00 0.00 60.65 59.45 2bwe h LYS 28 Cb 0.56 0.09 -0.15 0.00 0.08 0.00 0.00 32.23 32.81 2bwe h LYS 28 CO -0.18 -0.08 0.11 0.93 -0.57 0.00 0.00 179.45 179.65 2bwe h GLU 29 N -0.79 0.11 -0.50 3.15 5.08 -0.73 -0.58 114.58 120.32 2bwe h GLU 29 Ca -0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2bwe h GLU 29 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2bwe h GLU 29 CO 0.07 0.07 0.28 0.00 -1.00 0.00 0.00 179.01 178.43 2bwe h ALA 30 N 1.83 0.65 0.42 3.43 0.00 -0.42 0.86 119.26 126.03 2bwe h ALA 30 Ca 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 2bwe h ALA 30 Cb 1.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2bwe h ALA 30 CO -0.74 0.17 -0.39 0.82 0.00 0.00 0.00 179.25 179.10 2bwe h ILE 31 N 0.67 0.00 -0.98 0.00 2.04 -0.34 -3.22 117.51 115.68 2bwe h ILE 31 Ca 0.18 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.18 2bwe h ILE 31 Cb 0.05 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.98 2bwe h ILE 31 CO -0.03 0.00 -0.40 -3.20 0.00 0.00 0.00 178.15 174.52 2bwe n ASN 32 N -4.77 -0.68 0.30 1.72 2.85 -0.34 0.15 115.26 114.50 2bwe n ASN 32 Ca -0.10 1.72 0.12 0.00 -0.11 0.00 0.00 54.58 56.21 2bwe n ASN 32 Cb 0.36 -0.38 0.63 0.00 1.24 0.00 0.00 39.78 41.64 2bwe n ASN 32 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2bwe h LYS 33 N 0.00 0.00 -0.02 1.20 3.64 -0.86 -2.01 116.57 118.52 2bwe h LYS 33 Ca 0.33 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 2bwe h LYS 33 Cb 0.57 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.14 2bwe h LYS 33 CO -0.97 0.00 -0.85 0.00 -2.27 0.00 0.00 179.45 175.36 2bwe n ALA 34 N -1.78 2.88 -1.19 5.00 0.00 0.39 -4.89 120.51 120.92 2bwe n ALA 34 Ca -0.02 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.70 2bwe n ALA 34 Cb 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2bwe n ALA 34 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2bwe n ASN 35 N -0.13 0.00 0.00 0.00 6.94 -0.79 -4.97 115.26 116.31 2bwe n ASN 35 Ca 0.11 -0.42 0.00 0.00 -0.02 0.00 0.00 54.58 54.26 2bwe n ASN 35 Cb 0.97 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.39 2bwe n ASN 35 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bwe n GLY 36 N 0.00 1.97 1.11 4.83 0.00 -0.96 -5.02 105.19 107.11 2bwe n GLY 36 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 2bwe n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bwe n ILE 37 N 0.00 0.00 -1.99 -0.61 5.41 -1.26 -4.81 119.36 116.09 2bwe n ILE 37 Ca 0.00 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.36 2bwe n ILE 37 Cb 0.00 -0.17 0.01 0.00 -0.71 0.00 0.00 39.64 38.77 2bwe n ILE 37 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2bwe s PRO 38 N 2.04 3.67 0.10 0.38 0.04 -1.26 -4.43 135.00 135.53 2bwe s PRO 38 Ca 0.41 2.13 -0.19 0.00 0.04 0.00 0.00 61.00 63.39 2bwe s PRO 38 Cb -0.51 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 2bwe s PRO 38 CO 0.22 -0.73 1.14 0.28 0.04 0.00 0.00 177.00 177.96 2bwe n VAL 39 N -0.35 -0.41 0.01 -0.36 0.31 -1.26 -1.21 118.33 115.07 2bwe n VAL 39 Ca 0.06 1.78 0.00 0.00 -0.01 0.00 0.00 64.34 66.17 2bwe n VAL 39 Cb 0.45 -2.23 0.01 0.00 -0.91 0.00 0.00 33.84 31.15 2bwe n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bwe n ALA 40 N -3.24 1.51 -0.01 3.52 0.00 -1.26 -1.40 120.51 119.64 2bwe n ALA 40 Ca 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2bwe n ALA 40 Cb 0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 2bwe n ALA 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bwe n ASN 41 N -0.89 3.65 -4.58 0.00 5.03 -0.35 -4.93 115.26 113.19 2bwe n ASN 41 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 2bwe n ASN 41 Cb 0.00 1.19 -0.03 0.00 -1.02 0.00 0.00 39.78 39.93 2bwe n ASN 41 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2bwe s GLN 42 N -2.38 3.23 -0.37 3.52 -0.21 -0.49 -0.09 119.66 122.87 2bwe s GLN 42 Ca -0.02 0.59 -0.14 0.00 0.02 0.00 0.00 55.36 55.81 2bwe s GLN 42 Cb 0.04 -4.16 -0.00 0.00 1.00 0.00 0.00 33.01 29.88 2bwe s GLN 42 CO 0.24 -2.02 0.29 0.50 -2.12 0.00 0.00 175.29 172.18 2bwe s ARG 43 N 5.71 3.30 -0.27 2.91 3.52 0.00 -4.98 118.95 129.14 2bwe s ARG 43 Ca 0.57 -0.75 -0.13 0.00 -0.13 0.00 0.00 55.73 55.30 2bwe s ARG 43 Cb -0.12 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 2bwe s ARG 43 CO 0.26 -0.59 0.28 -0.51 -0.81 0.00 0.00 175.30 173.93 2bwe s LEU 44 N 1.78 4.05 -0.19 -0.88 1.43 -1.26 -0.82 118.68 122.78 2bwe s LEU 44 Ca 0.07 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2bwe s LEU 44 Cb -0.18 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2bwe s LEU 44 CO 0.11 -0.10 -0.13 -0.63 0.23 0.00 0.00 176.35 175.83 2bwe s ILE 45 N 1.78 2.71 -0.00 -0.59 1.01 0.22 -0.10 121.20 126.24 2bwe s ILE 45 Ca 0.11 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.08 2bwe s ILE 45 Cb -0.16 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 2bwe s ILE 45 CO 0.10 0.49 -0.15 -0.47 0.00 0.00 0.00 174.94 174.90 2bwe s TYR 46 N 1.25 1.37 -1.38 3.97 5.04 -0.94 -0.73 117.35 125.93 2bwe s TYR 46 Ca 0.03 -0.27 -0.10 0.00 -2.44 0.00 0.00 57.07 54.28 2bwe s TYR 46 Cb -0.14 -0.87 0.01 0.00 0.35 0.00 0.00 41.96 41.31 2bwe s TYR 46 CO -0.06 -0.01 0.38 0.43 -1.34 0.00 0.00 175.55 174.95 2bwe n SER 47 N 2.56 -1.33 0.00 4.32 7.64 -1.26 -1.31 113.62 124.24 2bwe n SER 47 Ca -0.15 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.56 2bwe n SER 47 Cb 0.55 -2.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.46 2bwe n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bwe n GLY 48 N -2.18 0.49 3.34 0.23 0.00 -1.26 -4.98 105.19 100.83 2bwe n GLY 48 Ca -0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 2bwe n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bwe s LYS 49 N -0.51 1.28 -0.17 1.61 1.02 -0.43 -5.11 119.74 117.43 2bwe s LYS 49 Ca 0.00 -1.30 -0.21 0.00 0.02 0.00 0.00 55.97 54.48 2bwe s LYS 49 Cb 0.00 -1.60 -0.03 0.00 -0.52 0.00 0.00 37.83 35.68 2bwe s LYS 49 CO 0.00 0.37 0.63 -1.50 -0.92 0.00 0.00 175.35 173.93 2bwe s ILE 50 N -1.31 5.04 -0.06 2.17 2.07 -1.26 -2.21 121.20 125.65 2bwe s ILE 50 Ca 0.12 1.22 -0.30 0.00 -1.41 0.00 0.00 60.65 60.28 2bwe s ILE 50 Cb -0.09 -3.95 -0.03 0.00 0.13 0.00 0.00 42.46 38.51 2bwe s ILE 50 CO 0.06 0.15 1.22 -0.76 -1.91 0.00 0.00 174.94 173.70 2bwe s LEU 51 N 1.60 4.28 0.20 8.50 1.43 0.86 -4.98 118.68 130.56 2bwe s LEU 51 Ca 0.30 1.83 -0.04 0.00 -1.03 0.00 0.00 54.13 55.19 2bwe s LEU 51 Cb -0.16 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 2bwe s LEU 51 CO 0.12 -0.60 0.43 -0.54 0.23 0.00 0.00 176.35 175.99 2bwe s LYS 52 N 2.27 3.61 0.26 1.70 1.02 -1.26 -4.64 119.74 122.71 2bwe s LYS 52 Ca 0.56 -0.11 -0.03 0.00 0.02 0.00 0.00 55.97 56.41 2bwe s LYS 52 Cb -0.25 -2.79 0.33 0.00 -0.52 0.00 0.00 37.83 34.60 2bwe s LYS 52 CO 0.22 0.38 1.83 -0.44 -0.92 0.00 0.00 175.35 176.42 2bwe h ASP 53 N 2.34 0.90 -1.00 2.83 5.19 -1.95 -3.11 116.42 121.63 2bwe h ASP 53 Ca -0.47 -0.14 -0.56 0.00 -0.62 0.00 0.00 57.03 55.24 2bwe h ASP 53 Cb 1.18 -0.23 -0.30 0.00 0.18 0.00 0.00 39.33 40.15 2bwe h ASP 53 CO 0.70 0.82 0.72 -0.90 -3.12 0.00 0.00 179.24 177.46 2bwe n ASP 54 N -4.29 4.83 -4.45 6.45 5.75 -1.26 -1.95 116.55 121.63 2bwe n ASP 54 Ca 0.06 -3.66 -0.30 0.00 -0.01 0.00 0.00 54.79 50.88 2bwe n ASP 54 Cb 0.19 -0.88 -0.12 0.00 -1.03 0.00 0.00 41.12 39.28 2bwe n ASP 54 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2bwe s GLN 55 N -3.44 1.75 0.23 0.11 -1.52 -1.18 -4.94 119.66 110.67 2bwe s GLN 55 Ca 0.59 -1.18 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 2bwe s GLN 55 Cb 0.49 -2.07 -0.09 0.00 -0.22 0.00 0.00 33.01 31.12 2bwe s GLN 55 CO 0.08 0.49 1.22 0.95 -0.25 0.00 0.00 175.29 177.77 2bwe s THR 56 N -1.05 3.35 0.54 -0.19 -4.23 -1.26 -0.80 115.64 112.00 2bwe s THR 56 Ca 0.16 1.20 0.25 0.00 -1.18 0.00 0.00 61.69 62.12 2bwe s THR 56 Cb -0.10 -3.76 0.39 0.00 1.34 0.00 0.00 72.50 70.36 2bwe s THR 56 CO 0.08 0.22 2.01 0.58 -0.54 0.00 0.00 174.62 176.96 2bwe h VAL 57 N 3.53 0.71 0.00 2.29 2.07 -1.37 0.39 116.25 123.86 2bwe h VAL 57 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2bwe h VAL 57 Cb 1.22 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2bwe h VAL 57 CO 0.72 0.00 -0.40 -1.84 0.02 0.00 0.00 177.57 176.08 2bwe n GLU 58 N -4.31 0.17 0.28 1.57 0.28 -0.67 -3.19 120.64 114.77 2bwe n GLU 58 Ca 0.08 0.07 0.13 0.00 -0.16 0.00 0.00 57.16 57.29 2bwe n GLU 58 Cb 0.56 -1.63 0.81 0.00 1.43 0.00 0.00 31.44 32.62 2bwe n GLU 58 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2bwe h SER 59 N 0.00 0.00 0.09 -1.84 4.64 -0.50 -0.22 113.55 115.72 2bwe h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bwe h SER 59 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2bwe h SER 59 CO 0.00 0.06 -0.15 -1.22 -0.87 0.00 0.00 176.83 174.65 2bwe n TYR 60 N -3.80 0.00 -1.51 4.77 4.01 -1.19 -4.93 117.16 114.51 2bwe n TYR 60 Ca -0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 2bwe n TYR 60 Cb 0.16 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 2bwe n TYR 60 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2bwe n HIS 61 N -0.07 -0.10 -1.51 -0.72 8.25 -0.09 -4.90 115.22 116.07 2bwe n HIS 61 Ca 0.15 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.13 2bwe n HIS 61 Cb 0.39 -2.36 -0.05 0.00 1.12 0.00 0.00 29.99 29.08 2bwe n HIS 61 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2bwe n ILE 62 N -2.88 0.26 -1.88 1.59 5.41 -1.26 -4.94 119.36 115.67 2bwe n ILE 62 Ca -0.13 -0.34 -0.31 0.00 1.00 0.00 0.00 62.75 62.97 2bwe n ILE 62 Cb 0.44 -2.03 0.01 0.00 -0.71 0.00 0.00 39.64 37.36 2bwe n ILE 62 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2bwe s GLN 63 N 6.25 3.52 0.29 0.38 -1.52 -1.26 -4.90 119.66 122.42 2bwe s GLN 63 Ca 1.06 0.71 -0.30 0.00 -1.95 0.00 0.00 55.36 54.88 2bwe s GLN 63 Cb -0.64 -2.08 -0.13 0.00 -0.22 0.00 0.00 33.01 29.95 2bwe s GLN 63 CO 0.43 -0.61 1.41 -3.47 -0.25 0.00 0.00 175.29 172.80 2bwe n ASP 64 N -2.77 2.98 0.00 5.90 2.03 -1.26 -3.06 116.55 120.36 2bwe n ASP 64 Ca 0.06 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.54 2bwe n ASP 64 Cb 0.54 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 2bwe n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bwe n GLY 65 N 1.67 0.84 3.91 0.27 0.00 -0.68 -5.01 105.19 106.19 2bwe n GLY 65 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2bwe n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bwe s HIS 66 N -3.32 3.52 -0.15 1.61 3.76 -1.17 -4.75 115.29 114.79 2bwe s HIS 66 Ca 0.00 0.72 -0.13 0.00 -0.15 0.00 0.00 55.06 55.50 2bwe s HIS 66 Cb 0.00 -2.20 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 2bwe s HIS 66 CO 0.00 -0.08 0.28 -1.12 -0.85 0.00 0.00 174.74 172.97 2bwe s SER 67 N -3.76 6.45 -0.18 1.40 0.01 -1.26 -1.14 113.70 115.23 2bwe s SER 67 Ca 0.46 0.53 -0.05 0.00 1.31 0.00 0.00 55.95 58.20 2bwe s SER 67 Cb -0.10 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2bwe s SER 67 CO 0.38 0.15 -0.01 -0.69 0.41 0.00 0.00 173.24 173.48 2bwe s VAL 68 N 0.20 3.99 0.37 3.43 1.01 -0.22 -4.91 120.40 124.27 2bwe s VAL 68 Ca 0.16 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 2bwe s VAL 68 Cb -0.13 -2.78 -0.10 0.00 0.00 0.00 0.00 36.38 33.37 2bwe s VAL 68 CO 0.04 0.46 0.84 -1.00 0.00 0.00 0.00 175.10 175.44 2bwe s HIS 69 N 0.65 3.35 -0.26 5.22 3.76 0.09 -2.56 115.29 125.53 2bwe s HIS 69 Ca -0.01 1.40 0.03 0.00 -0.15 0.00 0.00 55.06 56.33 2bwe s HIS 69 Cb -0.14 -2.68 0.06 0.00 1.11 0.00 0.00 32.58 30.93 2bwe s HIS 69 CO 0.02 0.00 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.65 2bwe s LEU 70 N -3.07 3.50 -0.32 0.89 2.96 0.14 -0.61 118.68 122.18 2bwe s LEU 70 Ca 0.58 -1.44 -0.12 0.00 -0.22 0.00 0.00 54.13 52.93 2bwe s LEU 70 Cb -0.10 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 2bwe s LEU 70 CO 0.15 -0.20 0.20 -0.69 -1.32 0.00 0.00 176.35 174.49 2bwe s VAL 71 N 1.10 5.07 0.25 1.68 1.01 -0.00 -4.37 120.40 125.13 2bwe s VAL 71 Ca -0.08 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2bwe s VAL 71 Cb -0.20 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2bwe s VAL 71 CO -0.05 0.05 1.00 -0.54 0.00 0.00 0.00 175.10 175.56 2bwe s LYS 72 N 1.69 4.77 0.15 2.72 1.02 -1.26 -0.82 119.74 128.01 2bwe s LYS 72 Ca 0.06 1.62 -0.07 0.00 0.02 0.00 0.00 55.97 57.60 2bwe s LYS 72 Cb -0.17 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2bwe s LYS 72 CO 0.09 0.39 0.22 -1.12 -0.92 0.00 0.00 175.35 174.01 2bwe s SER 73 N -1.03 0.12 0.00 2.83 0.01 0.87 -4.92 113.70 111.57 2bwe s SER 73 Ca 0.43 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2bwe s SER 73 Cb -0.28 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2bwe s SER 73 CO 0.36 -0.84 0.00 0.00 0.41 0.00 0.00 173.24 173.17