#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwe s ASN 4 N 0.00 2.54 0.02 -1.43 3.84 -1.26 -0.91 114.94 117.74 2bwe s ASN 4 Ca 0.00 -0.67 0.08 0.00 0.21 0.00 0.00 52.86 52.48 2bwe s ASN 4 Cb 0.00 -0.41 -0.03 0.00 -0.55 0.00 0.00 41.25 40.26 2bwe s ASN 4 CO 0.00 -0.32 -0.23 -0.63 -2.79 0.00 0.00 177.10 173.13 2bwe s ILE 5 N 2.00 2.35 0.25 -5.21 1.01 -0.65 -1.40 121.20 119.55 2bwe s ILE 5 Ca 0.01 -1.20 -0.24 0.00 0.00 0.00 0.00 60.65 59.21 2bwe s ILE 5 Cb -0.16 -1.91 -0.09 0.00 0.01 0.00 0.00 42.46 40.31 2bwe s ILE 5 CO -0.08 0.44 0.84 -1.00 0.00 0.00 0.00 174.94 175.14 2bwe s HIS 6 N -0.77 3.75 -0.03 3.97 3.76 -0.51 -1.80 115.29 123.66 2bwe s HIS 6 Ca 0.12 1.63 0.07 0.00 -0.15 0.00 0.00 55.06 56.73 2bwe s HIS 6 Cb -0.10 -2.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.77 2bwe s HIS 6 CO 0.02 0.34 -0.23 0.42 -0.85 0.00 0.00 174.74 174.44 2bwe s ILE 7 N -1.45 2.34 -0.03 0.60 -1.09 0.19 -0.82 121.20 120.93 2bwe s ILE 7 Ca 0.44 -1.00 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 2bwe s ILE 7 Cb -0.20 -1.84 0.01 0.00 -1.58 0.00 0.00 42.46 38.85 2bwe s ILE 7 CO 0.24 0.58 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.90 2bwe s LYS 8 N -0.63 1.09 0.32 2.79 1.02 -0.95 -2.37 119.74 121.01 2bwe s LYS 8 Ca 0.10 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 55.81 2bwe s LYS 8 Cb -0.10 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.17 2bwe s LYS 8 CO -0.00 0.08 0.14 -1.12 -0.92 0.00 0.00 175.35 173.53 2bwe s SER 9 N 0.35 1.73 0.00 2.83 0.01 -1.13 0.38 113.70 117.88 2bwe s SER 9 Ca -0.06 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.66 2bwe s SER 9 Cb -0.11 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2bwe s SER 9 CO 0.01 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2bwe n GLY 10 N -0.62 0.00 0.80 3.44 0.00 -1.26 -0.17 105.19 107.37 2bwe n GLY 10 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.84 -4.03 1.61 0.00 -1.26 -5.08 117.38 110.47 2bwe n GLN 11 Ca 0.00 -3.41 -0.28 0.00 0.00 0.00 0.00 57.00 53.31 2bwe n GLN 11 Cb 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 30.24 28.50 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 -3.28 5.76 0.10 2.61 1.01 0.76 -5.13 116.67 118.50 2bwe s ASP 12 Ca 0.40 0.00 0.04 0.00 0.71 0.00 0.00 52.55 53.70 2bwe s ASP 12 Cb 0.38 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.67 2bwe s ASP 12 CO -0.06 0.11 -0.10 -0.54 0.21 0.00 0.00 175.17 174.79 2bwe s LYS 13 N -2.86 0.85 -0.15 8.23 3.01 -1.26 -2.82 119.74 124.73 2bwe s LYS 13 Ca 0.32 -1.15 -0.14 0.00 -1.01 0.00 0.00 55.97 53.99 2bwe s LYS 13 Cb -0.11 -0.55 0.04 0.00 -1.01 0.00 0.00 37.83 36.20 2bwe s LYS 13 CO 0.24 0.09 0.41 -1.58 0.51 0.00 0.00 175.35 175.02 2bwe s TRP 14 N -2.38 -0.45 -0.02 3.18 0.51 -1.00 -4.97 118.94 113.80 2bwe s TRP 14 Ca 0.05 1.11 -0.11 0.00 -2.12 0.00 0.00 56.10 55.03 2bwe s TRP 14 Cb -0.03 0.16 -0.05 0.00 -0.81 0.00 0.00 33.47 32.73 2bwe s TRP 14 CO 0.00 -0.22 0.31 -2.00 -0.51 0.00 0.00 176.95 174.54 2bwe s GLU 15 N 0.23 3.72 0.01 4.98 2.56 -1.26 -0.64 118.70 128.29 2bwe s GLU 15 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.97 55.13 2bwe s GLU 15 Cb -0.03 -3.16 -0.01 0.00 2.00 0.00 0.00 34.13 32.93 2bwe s GLU 15 CO 0.00 0.69 -0.02 0.14 -0.56 0.00 0.00 175.26 175.52 2bwe s VAL 16 N -1.14 0.09 0.00 3.70 -7.23 -0.75 -5.00 120.40 110.08 2bwe s VAL 16 Ca 0.23 -0.58 -0.18 0.00 -1.81 0.00 0.00 61.98 59.64 2bwe s VAL 16 Cb -0.15 -0.18 -0.06 0.00 0.56 0.00 0.00 36.38 36.55 2bwe s VAL 16 CO 0.12 -0.30 0.51 0.20 -0.31 0.00 0.00 175.10 175.32 2bwe s ASN 17 N -0.92 6.91 -0.08 4.85 0.01 -1.26 -1.64 114.94 122.81 2bwe s ASN 17 Ca -0.10 1.08 -0.07 0.00 -0.71 0.00 0.00 52.86 53.06 2bwe s ASN 17 Cb -0.06 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.30 2bwe s ASN 17 CO -0.01 0.20 0.21 -0.69 -1.51 0.00 0.00 177.10 175.31 2bwe s VAL 18 N -0.60 -0.01 0.24 1.60 1.01 -0.09 -4.99 120.40 117.57 2bwe s VAL 18 Ca 0.27 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2bwe s VAL 18 Cb -0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 2bwe s VAL 18 CO 0.15 0.01 1.11 0.00 0.00 0.00 0.00 175.10 176.38 2bwe s ALA 19 N 0.30 3.40 0.33 5.51 0.00 -1.26 0.96 121.76 131.00 2bwe s ALA 19 Ca -0.02 0.88 0.11 0.00 0.00 0.00 0.00 51.96 52.94 2bwe s ALA 19 Cb -0.03 -3.34 1.01 0.00 0.00 0.00 0.00 23.12 20.75 2bwe s ALA 19 CO -0.01 -0.20 1.64 -1.35 0.00 0.00 0.00 175.76 175.84 2bwe h PRO 20 N 4.34 0.21 -0.62 0.00 0.11 -1.99 -1.24 132.00 132.81 2bwe h PRO 20 Ca -0.46 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 2bwe h PRO 20 Cb 1.21 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 2bwe h PRO 20 CO 0.69 0.14 0.17 -0.85 -0.21 0.00 0.00 178.00 177.94 2bwe n GLU 21 N -5.17 3.61 -2.17 1.05 0.00 -1.26 -1.49 120.64 115.21 2bwe n GLU 21 Ca 0.29 -3.08 -0.36 0.00 0.00 0.00 0.00 57.16 54.01 2bwe n GLU 21 Cb 0.94 -2.14 0.01 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 -1.27 5.80 1.11 -1.84 0.01 -0.47 -4.84 113.70 112.20 2bwe s SER 22 Ca 0.52 2.33 -0.15 0.00 1.31 0.00 0.00 55.95 59.97 2bwe s SER 22 Cb 0.42 -2.60 0.24 0.00 0.21 0.00 0.00 66.02 64.30 2bwe s SER 22 CO 0.12 -1.18 1.07 0.42 0.41 0.00 0.00 173.24 174.09 2bwe s THR 23 N -1.59 1.86 0.21 1.44 -4.23 -1.26 -1.48 115.64 110.59 2bwe s THR 23 Ca 0.69 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 61.32 2bwe s THR 23 Cb -0.29 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 2bwe s THR 23 CO 0.34 0.00 1.58 0.58 -0.54 0.00 0.00 174.62 176.57 2bwe h VAL 24 N -2.31 1.35 -0.59 2.29 2.07 -0.74 -2.11 116.25 116.21 2bwe h VAL 24 Ca -0.54 -2.20 -0.06 0.00 0.82 0.00 0.00 66.70 64.71 2bwe h VAL 24 Cb 1.33 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 2bwe h VAL 24 CO 0.50 0.61 0.12 0.25 0.02 0.00 0.00 177.57 179.06 2bwe h LEU 25 N 0.00 0.92 -0.14 2.57 5.85 -1.67 0.19 115.31 123.04 2bwe h LEU 25 Ca -0.01 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2bwe h LEU 25 Cb 1.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2bwe h LEU 25 CO 0.08 0.93 0.08 1.56 -0.34 0.00 0.00 178.44 180.75 2bwe h GLN 26 N 0.87 0.18 -0.91 1.25 7.50 -1.85 -0.92 115.11 121.24 2bwe h GLN 26 Ca 0.18 -0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.41 2bwe h GLN 26 Cb 0.39 -0.04 -0.07 0.00 0.05 0.00 0.00 27.48 27.82 2bwe h GLN 26 CO 0.01 0.17 0.58 0.35 -1.50 0.00 0.00 178.83 178.44 2bwe h PHE 27 N 0.14 0.98 0.38 2.96 3.57 -1.16 0.16 116.94 123.97 2bwe h PHE 27 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2bwe h PHE 27 Cb 0.04 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2bwe h PHE 27 CO -0.05 0.45 -0.18 0.87 -2.23 0.00 0.00 178.31 177.17 2bwe h LYS 28 N 0.91 -0.49 -0.86 1.11 1.57 -0.21 -1.95 116.57 116.65 2bwe h LYS 28 Ca 0.42 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.45 2bwe h LYS 28 Cb 0.40 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 32.69 2bwe h LYS 28 CO -0.18 -0.18 0.22 0.93 -0.57 0.00 0.00 179.45 179.67 2bwe h GLU 29 N -0.80 0.22 -0.45 3.15 5.08 -0.85 -1.01 114.58 119.92 2bwe h GLU 29 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2bwe h GLU 29 Cb 0.53 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2bwe h GLU 29 CO 0.08 0.14 0.29 0.00 -1.00 0.00 0.00 179.01 178.52 2bwe h ALA 30 N 1.75 0.57 0.53 3.43 0.00 -0.48 -0.11 119.26 124.95 2bwe h ALA 30 Ca 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 2bwe h ALA 30 Cb 1.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2bwe h ALA 30 CO -0.63 0.04 -0.45 0.82 0.00 0.00 0.00 179.25 179.03 2bwe h ILE 31 N 0.60 0.00 -0.90 0.00 2.04 -0.67 -3.25 117.51 115.33 2bwe h ILE 31 Ca 0.16 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.19 2bwe h ILE 31 Cb -0.04 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.88 2bwe h ILE 31 CO -0.03 0.00 -0.28 -1.13 0.00 0.00 0.00 178.15 176.70 2bwe h ASN 32 N -0.95 -1.05 0.00 1.72 -0.73 -0.84 0.48 115.58 114.21 2bwe h ASN 32 Ca -0.07 0.28 0.00 0.00 1.87 0.00 0.00 56.30 58.38 2bwe h ASN 32 Cb 0.80 0.62 0.00 0.00 0.27 0.00 0.00 38.32 40.01 2bwe h ASN 32 CO -0.01 -0.30 0.23 0.50 -0.37 0.00 0.00 177.43 177.48 2bwe h LYS 33 N -0.02 0.00 0.00 6.67 3.64 -1.06 -2.35 116.57 123.45 2bwe h LYS 33 Ca 0.39 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.66 2bwe h LYS 33 Cb 0.63 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.21 2bwe h LYS 33 CO -0.92 0.00 -0.82 0.00 -2.27 0.00 0.00 179.45 175.44 2bwe n ALA 34 N -1.78 2.67 -1.15 5.00 0.00 0.16 -4.90 120.51 120.51 2bwe n ALA 34 Ca -0.02 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.92 2bwe n ALA 34 Cb 0.27 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.04 0.00 0.00 0.00 6.94 -0.84 -4.97 115.26 116.35 2bwe n ASN 35 Ca 0.09 -0.34 0.00 0.00 -0.02 0.00 0.00 54.58 54.31 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 1.89 1.93 4.83 0.00 -0.97 -5.02 105.19 107.85 2bwe n GLY 36 Ca 0.00 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.88 -0.61 5.41 -1.26 -4.82 119.36 116.20 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 -0.29 0.02 0.00 -0.71 0.00 0.00 39.64 38.66 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 3.30 3.56 0.15 0.38 0.04 -1.26 -4.44 135.00 136.72 2bwe s PRO 38 Ca 0.69 2.26 -0.23 0.00 0.04 0.00 0.00 61.00 63.76 2bwe s PRO 38 Cb -0.88 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 31.15 2bwe s PRO 38 CO 0.40 -0.86 1.28 0.28 0.04 0.00 0.00 177.00 178.13 2bwe n VAL 39 N -0.44 -0.53 0.54 -0.36 0.31 -1.26 -1.15 118.33 115.43 2bwe n VAL 39 Ca 0.07 1.99 0.04 0.00 -0.01 0.00 0.00 64.34 66.42 2bwe n VAL 39 Cb 0.44 -2.49 0.23 0.00 -0.91 0.00 0.00 33.84 31.10 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 -3.42 1.81 -0.01 3.52 0.00 -1.26 -1.67 120.51 119.48 2bwe n ALA 40 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.46 2bwe n ALA 40 Cb 0.24 -1.13 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.95 2.49 -4.60 0.00 5.03 -0.30 -4.94 115.26 111.99 2bwe n ASN 41 Ca 0.06 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.08 2bwe n ASN 41 Cb 0.03 1.36 -0.02 0.00 -1.02 0.00 0.00 39.78 40.12 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 -2.66 3.61 -0.36 3.52 -0.21 -0.67 -0.55 119.66 122.33 2bwe s GLN 42 Ca -0.04 0.65 -0.11 0.00 0.02 0.00 0.00 55.36 55.88 2bwe s GLN 42 Cb 0.06 -3.98 0.02 0.00 1.00 0.00 0.00 33.01 30.11 2bwe s GLN 42 CO 0.45 -1.53 0.20 0.50 -2.12 0.00 0.00 175.29 172.79 2bwe s ARG 43 N 4.78 2.97 -0.24 2.91 3.52 -0.43 -4.99 118.95 127.48 2bwe s ARG 43 Ca 0.53 -0.98 -0.13 0.00 -0.13 0.00 0.00 55.73 55.01 2bwe s ARG 43 Cb -0.10 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 2bwe s ARG 43 CO 0.31 -0.63 0.30 -0.51 -0.81 0.00 0.00 175.30 173.95 2bwe s LEU 44 N 1.58 4.10 -0.19 -0.88 1.43 -1.26 -1.07 118.68 122.38 2bwe s LEU 44 Ca 0.03 0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2bwe s LEU 44 Cb -0.19 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.73 2bwe s LEU 44 CO 0.07 -0.05 -0.16 -0.63 0.23 0.00 0.00 176.35 175.81 2bwe s ILE 45 N 1.44 2.37 -0.01 -0.59 1.01 0.54 -0.20 121.20 125.75 2bwe s ILE 45 Ca 0.13 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.95 2bwe s ILE 45 Cb -0.15 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2bwe s ILE 45 CO 0.08 0.48 -0.15 -0.47 0.00 0.00 0.00 174.94 174.87 2bwe s TYR 46 N 1.32 1.38 -1.47 3.97 5.04 -0.93 -1.02 117.35 125.65 2bwe s TYR 46 Ca 0.04 -0.26 -0.00 0.00 -2.44 0.00 0.00 57.07 54.41 2bwe s TYR 46 Cb -0.14 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.28 2bwe s TYR 46 CO -0.10 -0.02 0.24 0.43 -1.34 0.00 0.00 175.55 174.75 2bwe n SER 47 N 2.68 0.22 0.00 4.32 7.64 -1.26 -1.10 113.62 126.12 2bwe n SER 47 Ca -0.14 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.61 2bwe n SER 47 Cb 0.55 -2.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 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 -2.24 0.41 3.30 0.23 0.00 -1.26 -4.99 105.19 100.63 2bwe n GLY 48 Ca -0.32 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.55 1.29 -0.16 1.61 1.02 -0.26 -5.11 119.74 117.58 2bwe s LYS 49 Ca 0.00 -1.14 -0.25 0.00 0.02 0.00 0.00 55.97 54.61 2bwe s LYS 49 Cb 0.00 -1.55 -0.02 0.00 -0.52 0.00 0.00 37.83 35.74 2bwe s LYS 49 CO 0.00 0.37 0.79 -1.50 -0.92 0.00 0.00 175.35 174.10 2bwe s ILE 50 N -1.03 4.92 -0.17 2.17 2.07 -1.26 -2.19 121.20 125.70 2bwe s ILE 50 Ca 0.08 1.56 -0.29 0.00 -1.41 0.00 0.00 60.65 60.59 2bwe s ILE 50 Cb -0.10 -4.11 -0.02 0.00 0.13 0.00 0.00 42.46 38.37 2bwe s ILE 50 CO 0.04 0.06 1.36 -0.76 -1.91 0.00 0.00 174.94 173.73 2bwe s LEU 51 N 1.96 4.14 0.29 8.50 1.43 0.71 -4.99 118.68 130.72 2bwe s LEU 51 Ca 0.37 1.70 -0.13 0.00 -1.03 0.00 0.00 54.13 55.05 2bwe s LEU 51 Cb -0.17 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 2bwe s LEU 51 CO 0.13 -0.87 0.66 -0.54 0.23 0.00 0.00 176.35 175.96 2bwe s LYS 52 N 3.77 3.92 0.23 1.70 1.02 -1.26 -4.63 119.74 124.48 2bwe s LYS 52 Ca 0.59 0.51 -0.07 0.00 0.02 0.00 0.00 55.97 57.01 2bwe s LYS 52 Cb -0.23 -2.52 0.19 0.00 -0.52 0.00 0.00 37.83 34.76 2bwe s LYS 52 CO 0.19 0.22 1.84 -0.44 -0.92 0.00 0.00 175.35 176.24 2bwe h ASP 53 N 2.36 1.11 -0.89 2.83 5.19 -1.94 -3.13 116.42 121.94 2bwe h ASP 53 Ca -0.47 -0.12 -0.48 0.00 -0.62 0.00 0.00 57.03 55.34 2bwe h ASP 53 Cb 1.17 -0.28 -0.28 0.00 0.18 0.00 0.00 39.33 40.12 2bwe h ASP 53 CO 0.67 0.91 0.61 -0.90 -3.12 0.00 0.00 179.24 177.41 2bwe n ASP 54 N -4.33 4.03 -4.46 6.45 5.75 -1.26 -1.92 116.55 120.81 2bwe n ASP 54 Ca 0.09 -3.46 -0.29 0.00 -0.01 0.00 0.00 54.79 51.12 2bwe n ASP 54 Cb 0.12 -0.82 -0.12 0.00 -1.03 0.00 0.00 41.12 39.27 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 -3.00 1.73 0.22 0.11 -1.52 -1.18 -4.94 119.66 111.08 2bwe s GLN 55 Ca 0.52 -1.20 -0.30 0.00 -1.95 0.00 0.00 55.36 52.43 2bwe s GLN 55 Cb 0.43 -2.07 -0.09 0.00 -0.22 0.00 0.00 33.01 31.06 2bwe s GLN 55 CO 0.09 0.48 1.17 0.95 -0.25 0.00 0.00 175.29 177.73 2bwe s THR 56 N -1.10 3.50 0.48 -0.19 -4.23 -1.26 -0.72 115.64 112.11 2bwe s THR 56 Ca 0.17 1.34 0.23 0.00 -1.18 0.00 0.00 61.69 62.25 2bwe s THR 56 Cb -0.10 -3.86 0.41 0.00 1.34 0.00 0.00 72.50 70.29 2bwe s THR 56 CO 0.09 0.25 1.91 0.58 -0.54 0.00 0.00 174.62 176.91 2bwe h VAL 57 N 3.51 0.67 0.00 2.29 2.07 -1.29 0.93 116.25 124.44 2bwe h VAL 57 Ca -0.45 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2bwe h VAL 57 Cb 1.21 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2bwe h VAL 57 CO 0.72 0.04 -0.24 1.05 0.02 0.00 0.00 177.57 179.15 2bwe h GLU 58 N 0.21 0.00 0.00 1.57 4.11 -1.54 -3.17 114.58 115.76 2bwe h GLU 58 Ca 0.39 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.82 2bwe h GLU 58 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2bwe h GLU 58 CO -0.08 0.00 -0.00 0.66 0.07 0.00 0.00 179.01 179.65 2bwe h SER 59 N 0.00 0.00 0.15 3.06 4.64 -1.09 -0.93 113.55 119.38 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 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2bwe h SER 59 CO 0.00 0.00 -0.13 -1.22 -0.87 0.00 0.00 176.83 174.61 2bwe n TYR 60 N -4.05 0.00 -1.47 4.77 4.01 -1.20 -4.94 117.16 114.29 2bwe n TYR 60 Ca -0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.57 2bwe n TYR 60 Cb 0.09 -0.08 -0.06 0.00 -0.31 0.00 0.00 39.34 38.98 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 -0.38 -0.05 -1.49 -0.72 8.25 -0.35 -4.91 115.22 115.57 2bwe n HIS 61 Ca 0.15 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.15 2bwe n HIS 61 Cb 0.33 -2.52 -0.06 0.00 1.12 0.00 0.00 29.99 28.86 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 -2.70 0.17 -1.77 1.59 5.41 -1.26 -4.93 119.36 115.87 2bwe n ILE 62 Ca -0.14 -0.35 -0.31 0.00 1.00 0.00 0.00 62.75 62.95 2bwe n ILE 62 Cb 0.47 -1.89 0.02 0.00 -0.71 0.00 0.00 39.64 37.53 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 6.69 3.37 0.28 0.38 -1.52 -1.26 -4.90 119.66 122.70 2bwe s GLN 63 Ca 1.08 0.83 -0.30 0.00 -1.95 0.00 0.00 55.36 55.02 2bwe s GLN 63 Cb -0.70 -2.05 -0.13 0.00 -0.22 0.00 0.00 33.01 29.92 2bwe s GLN 63 CO 0.44 -0.76 1.44 -3.47 -0.25 0.00 0.00 175.29 172.69 2bwe n ASP 64 N -2.87 3.11 0.00 5.90 -0.08 -1.26 -3.02 116.55 118.33 2bwe n ASP 64 Ca 0.07 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 2bwe n ASP 64 Cb 0.54 -1.50 0.00 0.00 2.34 0.00 0.00 41.12 42.50 2bwe n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bwe n GLY 65 N 1.77 0.68 3.89 0.27 0.00 -0.49 -5.01 105.19 106.30 2bwe n GLY 65 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.69 3.46 -0.15 1.61 3.76 -1.17 -4.76 115.29 115.35 2bwe s HIS 66 Ca 0.00 0.86 -0.19 0.00 -0.15 0.00 0.00 55.06 55.59 2bwe s HIS 66 Cb 0.00 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 2bwe s HIS 66 CO 0.00 0.07 0.51 -1.12 -0.85 0.00 0.00 174.74 173.34 2bwe s SER 67 N -3.02 6.64 -0.18 1.40 0.01 -1.26 -1.42 113.70 115.87 2bwe s SER 67 Ca 0.48 0.77 -0.06 0.00 1.31 0.00 0.00 55.95 58.45 2bwe s SER 67 Cb -0.11 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2bwe s SER 67 CO 0.29 -0.09 0.02 -0.69 0.41 0.00 0.00 173.24 173.18 2bwe s VAL 68 N 1.09 4.33 0.25 3.43 1.01 -0.00 -4.90 120.40 125.61 2bwe s VAL 68 Ca 0.26 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 2bwe s VAL 68 Cb -0.15 -2.94 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 2bwe s VAL 68 CO 0.10 0.46 0.70 -1.00 0.00 0.00 0.00 175.10 175.36 2bwe s HIS 69 N 0.53 3.53 -0.25 5.22 3.76 -0.19 -2.24 115.29 125.65 2bwe s HIS 69 Ca 0.00 1.26 0.01 0.00 -0.15 0.00 0.00 55.06 56.18 2bwe s HIS 69 Cb -0.13 -2.54 0.05 0.00 1.11 0.00 0.00 32.58 31.07 2bwe s HIS 69 CO 0.02 0.26 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.90 2bwe s LEU 70 N -2.37 3.29 -0.28 0.89 2.96 0.16 -0.34 118.68 122.98 2bwe s LEU 70 Ca 0.46 -1.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.10 2bwe s LEU 70 Cb -0.14 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 2bwe s LEU 70 CO 0.19 -0.16 0.13 -0.69 -1.32 0.00 0.00 176.35 174.50 2bwe s VAL 71 N 1.19 4.60 0.17 1.68 1.01 -0.24 -4.32 120.40 124.49 2bwe s VAL 71 Ca -0.05 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2bwe s VAL 71 Cb -0.18 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 2bwe s VAL 71 CO -0.05 0.20 0.98 -0.54 0.00 0.00 0.00 175.10 175.68 2bwe s LYS 72 N 1.64 4.73 0.11 2.72 1.02 -1.26 -1.31 119.74 127.39 2bwe s LYS 72 Ca 0.06 1.52 -0.03 0.00 0.02 0.00 0.00 55.97 57.54 2bwe s LYS 72 Cb -0.16 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 2bwe s LYS 72 CO 0.06 0.29 0.09 -1.12 -0.92 0.00 0.00 175.35 173.75 2bwe s SER 73 N -0.43 0.28 0.00 2.83 0.01 0.29 -4.96 113.70 111.72 2bwe s SER 73 Ca 0.45 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.67 2bwe s SER 73 Cb -0.26 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2bwe s SER 73 CO 0.32 -0.73 0.00 0.00 0.41 0.00 0.00 173.24 173.24