#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8r s SER 2 N 0.00 -0.58 -0.42 1.61 0.01 -1.26 -5.10 113.70 107.96 2d8r s SER 2 Ca 0.00 0.39 0.04 0.00 1.31 0.00 0.00 55.95 57.69 2d8r s SER 2 Cb 0.00 0.54 0.28 0.00 0.21 0.00 0.00 66.02 67.05 2d8r s SER 2 CO 0.00 -0.73 1.10 -0.24 0.41 0.00 0.00 173.24 173.78 2d8r n SER 3 N 0.45 -2.15 0.00 2.44 2.88 -1.26 -5.15 113.62 110.84 2d8r n SER 3 Ca -0.18 -2.79 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 2d8r n SER 3 Cb 0.60 1.47 0.00 0.00 -0.75 0.00 0.00 64.21 65.53 2d8r n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8r n GLY 4 N 1.21 -2.57 2.85 0.46 0.00 -1.26 -5.06 105.19 100.82 2d8r n GLY 4 Ca 0.04 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.64 2d8r n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8r s SER 5 N -3.98 -0.09 -0.29 1.61 1.04 -1.26 -5.13 113.70 105.60 2d8r s SER 5 Ca 0.00 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2d8r s SER 5 Cb 0.00 0.45 0.15 0.00 0.10 0.00 0.00 66.02 66.72 2d8r s SER 5 CO 0.00 -0.01 0.38 -0.44 0.98 0.00 0.00 173.24 174.15 2d8r s SER 6 N 2.35 0.65 0.54 7.02 0.01 -1.26 -5.16 113.70 117.85 2d8r s SER 6 Ca 0.21 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 57.08 2d8r s SER 6 Cb 0.03 0.98 0.03 0.00 0.21 0.00 0.00 66.02 67.27 2d8r s SER 6 CO -0.19 -0.36 0.23 0.61 0.41 0.00 0.00 173.24 173.94 2d8r n GLY 7 N 5.35 3.11 3.36 3.44 0.00 -1.26 -5.09 105.19 114.09 2d8r n GLY 7 Ca -0.00 -2.34 -0.38 0.00 0.00 0.00 0.00 46.02 43.31 2d8r n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d8r n MET 8 N -1.57 0.24 -2.12 1.61 2.00 -1.26 -4.82 117.12 111.21 2d8r n MET 8 Ca -0.11 0.10 -0.43 0.00 0.00 0.00 0.00 57.70 57.26 2d8r n MET 8 Cb 0.65 -1.45 -0.03 0.00 0.00 0.00 0.00 33.22 32.39 2d8r n MET 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2d8r s PRO 9 N -1.91 3.75 0.13 0.03 0.04 -1.26 -5.00 135.00 130.78 2d8r s PRO 9 Ca 0.62 1.61 0.08 0.00 0.04 0.00 0.00 61.00 63.34 2d8r s PRO 9 Cb -0.41 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 2d8r s PRO 9 CO 0.61 -1.35 -0.10 0.95 0.04 0.00 0.00 177.00 177.15 2d8r s THR 10 N 5.35 3.29 0.00 1.26 -4.23 -1.26 -4.91 115.64 115.14 2d8r s THR 10 Ca 0.72 -1.42 -0.10 0.00 -1.18 0.00 0.00 61.69 59.70 2d8r s THR 10 Cb -0.24 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.04 2d8r s THR 10 CO 0.30 0.03 0.20 0.20 -0.54 0.00 0.00 174.62 174.80 2d8r s ASN 11 N -2.45 -0.04 0.06 3.99 -0.87 -1.26 -4.78 114.94 109.60 2d8r s ASN 11 Ca 0.23 -0.15 -0.30 0.00 -1.57 0.00 0.00 52.86 51.06 2d8r s ASN 11 Cb -0.10 0.25 -0.05 0.00 -0.02 0.00 0.00 41.25 41.33 2d8r s ASN 11 CO 0.14 -0.43 1.03 0.00 -2.57 0.00 0.00 177.10 175.27 2d8r h ALA 13 N 6.31 0.87 -1.62 0.00 0.00 -1.90 -3.42 119.26 119.51 2d8r h ALA 13 Ca -0.42 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 53.47 2d8r h ALA 13 Cb 1.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2d8r h ALA 13 CO 0.75 0.68 1.32 0.00 0.00 0.00 0.00 179.25 182.00 2d8r s ALA 14 N -3.42 2.42 1.03 0.00 0.00 -1.26 -4.91 121.76 115.61 2d8r s ALA 14 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 2d8r s ALA 14 Cb 0.11 -4.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.03 2d8r s ALA 14 CO 0.73 -3.44 -0.23 0.00 0.00 0.00 0.00 175.76 172.82 2d8r n ALA 15 N 11.83 -4.12 0.00 0.00 0.00 -1.26 -2.56 120.51 124.41 2d8r n ALA 15 Ca 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2d8r n ALA 15 Cb 0.50 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2d8r n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8r n GLY 16 N 2.31 1.16 0.00 0.00 0.00 -1.26 -4.67 105.19 102.74 2d8r n GLY 16 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2d8r n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d8r n ALA 18 N -0.62 -2.14 -2.66 0.00 0.00 -1.24 -5.00 120.51 108.84 2d8r n ALA 18 Ca 0.00 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.12 2d8r n ALA 18 Cb 0.00 -2.70 -0.06 0.00 0.00 0.00 0.00 19.45 16.68 2d8r n ALA 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2d8r s THR 19 N -3.14 5.20 0.08 0.00 2.01 -1.26 -4.89 115.64 113.64 2d8r s THR 19 Ca 0.16 0.74 0.00 0.00 0.31 0.00 0.00 61.69 62.90 2d8r s THR 19 Cb -0.02 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 68.79 2d8r s THR 19 CO 0.57 0.44 0.01 0.35 -0.69 0.00 0.00 174.62 175.30 2d8r n THR 20 N 2.96 0.00 0.35 -0.82 -2.24 -1.26 -3.68 114.28 109.58 2d8r n THR 20 Ca -0.12 -0.43 -0.18 0.00 -2.27 0.00 0.00 64.05 61.05 2d8r n THR 20 Cb 0.52 0.12 -0.09 0.00 -2.10 0.00 0.00 70.33 68.78 2d8r n THR 20 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2d8r h TYR 21 N 1.08 -0.86 -0.20 4.78 3.20 -1.94 -3.48 116.97 119.56 2d8r h TYR 21 Ca -0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2d8r h TYR 21 Cb 0.23 0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2d8r h TYR 21 CO 0.00 -0.52 0.00 -1.71 -1.64 0.00 0.00 178.16 174.29 2d8r n ASN 22 N -5.48 -0.61 -0.04 -2.11 2.85 -1.26 -3.96 115.26 104.65 2d8r n ASN 22 Ca -0.13 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.46 2d8r n ASN 22 Cb 0.37 0.00 0.26 0.00 1.24 0.00 0.00 39.78 41.65 2d8r n ASN 22 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2d8r n LYS 23 N 0.00 0.14 0.00 1.20 4.76 -1.26 -4.89 118.16 118.10 2d8r n LYS 23 Ca 0.00 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2d8r n LYS 23 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 2d8r n LYS 23 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2d8r n HIS 24 N -1.36 0.00 -1.60 2.13 1.44 -1.25 -5.17 115.22 109.40 2d8r n HIS 24 Ca 0.07 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 2d8r n HIS 24 Cb 0.34 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.44 2d8r n HIS 24 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2d8r n ILE 25 N 0.00 -2.87 -1.91 0.61 2.08 -1.26 -4.96 119.36 111.05 2d8r n ILE 25 Ca 0.00 1.46 0.00 0.00 0.56 0.00 0.00 62.75 64.77 2d8r n ILE 25 Cb 0.00 -2.42 0.00 0.00 -0.75 0.00 0.00 39.64 36.47 2d8r n ILE 25 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2d8r n ASN 26 N -2.71 0.00 -4.72 4.38 3.02 -1.26 -5.09 115.26 108.88 2d8r n ASN 26 Ca -0.00 -1.38 -0.42 0.00 -0.03 0.00 0.00 54.58 52.75 2d8r n ASN 26 Cb 0.50 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2d8r s ILE 27 N 0.00 4.01 0.21 2.41 1.01 -1.26 -5.00 121.20 122.58 2d8r s ILE 27 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 60.65 61.88 2d8r s ILE 27 Cb 0.00 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 38.41 2d8r s ILE 27 CO 0.00 0.17 1.18 -0.44 0.00 0.00 0.00 174.94 175.85 2d8r s SER 28 N 0.68 7.11 -0.35 3.58 0.01 -1.26 -4.94 113.70 118.53 2d8r s SER 28 Ca 0.55 2.25 -0.18 0.00 1.31 0.00 0.00 55.95 59.89 2d8r s SER 28 Cb -0.29 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.32 2d8r s SER 28 CO 0.31 -0.33 0.48 0.72 0.41 0.00 0.00 173.24 174.84 2d8r s PHE 29 N -0.32 3.18 -0.47 2.43 -0.71 -1.26 -3.42 117.98 117.41 2d8r s PHE 29 Ca 0.51 0.12 -0.01 0.00 -1.04 0.00 0.00 56.93 56.51 2d8r s PHE 29 Cb -0.33 -2.88 0.13 0.00 -1.21 0.00 0.00 43.02 38.73 2d8r s PHE 29 CO 0.38 -0.53 0.26 -1.01 -1.34 0.00 0.00 175.22 172.98 2d8r s HIS 30 N 2.31 3.52 1.03 3.49 3.76 -1.21 -4.97 115.29 123.22 2d8r s HIS 30 Ca 0.17 -2.64 -0.14 0.00 -0.15 0.00 0.00 55.06 52.30 2d8r s HIS 30 Cb -0.16 -3.15 0.10 0.00 1.11 0.00 0.00 32.58 30.49 2d8r s HIS 30 CO 0.13 -0.91 0.45 2.89 -0.85 0.00 0.00 174.74 176.44 2d8r n ARG 31 N 4.10 -0.99 -0.82 1.40 1.85 -1.26 -3.14 116.66 117.80 2d8r n ARG 31 Ca 0.02 -0.25 -0.32 0.00 -1.00 0.00 0.00 57.85 56.29 2d8r n ARG 31 Cb 0.40 -1.91 0.14 0.00 -1.05 0.00 0.00 32.46 30.03 2d8r n ARG 31 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2d8r n PHE 32 N -4.11 -0.08 -2.08 2.89 3.01 -1.25 -4.87 117.46 110.96 2d8r n PHE 32 Ca 0.05 0.33 -0.34 0.00 1.01 0.00 0.00 57.45 58.50 2d8r n PHE 32 Cb 0.56 -1.93 0.02 0.00 -0.01 0.00 0.00 39.48 38.12 2d8r n PHE 32 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2d8r s PRO 33 N -4.05 3.16 0.12 -1.08 0.04 -1.26 -4.96 135.00 126.97 2d8r s PRO 33 Ca 0.64 1.53 0.25 0.00 0.04 0.00 0.00 61.00 63.45 2d8r s PRO 33 Cb -0.24 -1.99 0.48 0.00 0.04 0.00 0.00 34.50 32.79 2d8r s PRO 33 CO 0.61 -0.99 1.43 1.28 0.04 0.00 0.00 177.00 179.37 2d8r n LEU 34 N -1.70 0.67 -4.84 -3.56 7.99 -1.26 -4.39 117.00 109.90 2d8r n LEU 34 Ca 0.11 0.27 -0.33 0.00 -0.01 0.00 0.00 56.01 56.05 2d8r n LEU 34 Cb 0.51 -0.23 -0.06 0.00 -0.11 0.00 0.00 43.42 43.53 2d8r n LEU 34 CO 0.44 -0.05 0.48 -1.81 -1.51 0.00 0.00 177.39 174.93 2d8r s ASP 35 N -4.09 6.85 0.17 -1.43 1.11 -1.26 -4.94 116.67 113.08 2d8r s ASP 35 Ca 0.08 1.40 -0.08 0.00 0.18 0.00 0.00 52.55 54.13 2d8r s ASP 35 Cb 0.14 -2.42 0.04 0.00 1.07 0.00 0.00 42.92 41.75 2d8r s ASP 35 CO 0.69 -0.21 1.51 1.55 1.18 0.00 0.00 175.17 179.88 2d8r h PRO 36 N 2.31 0.82 -0.72 8.23 0.13 -1.98 0.29 132.00 141.08 2d8r h PRO 36 Ca -0.48 -0.43 0.07 0.00 -0.87 0.00 0.00 66.00 64.29 2d8r h PRO 36 Cb 1.18 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2d8r h PRO 36 CO 0.64 1.07 0.40 0.87 -0.23 0.00 0.00 178.00 180.75 2d8r h LYS 37 N 0.67 0.68 0.01 0.86 6.56 -1.99 -2.49 116.57 120.87 2d8r h LYS 37 Ca 0.05 -0.04 -0.15 0.00 -1.06 0.00 0.00 60.65 59.45 2d8r h LYS 37 Cb 0.97 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.46 2d8r h LYS 37 CO 0.09 0.45 -0.82 0.00 -2.06 0.00 0.00 179.45 177.11 2d8r h ARG 38 N 0.70 0.02 -0.86 3.15 2.47 -1.92 -3.28 114.38 114.67 2d8r h ARG 38 Ca 0.34 -0.04 0.13 0.00 -1.26 0.00 0.00 59.98 59.15 2d8r h ARG 38 Cb 0.26 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 28.46 2d8r h ARG 38 CO -0.22 1.02 -0.33 -2.13 0.56 0.00 0.00 179.97 178.87 2d8r n ARG 39 N -4.45 -0.20 0.09 0.04 0.63 0.10 0.23 116.66 113.10 2d8r n ARG 39 Ca -0.24 1.32 0.01 0.00 -0.92 0.00 0.00 57.85 58.02 2d8r n ARG 39 Cb 0.63 -1.96 0.33 0.00 0.45 0.00 0.00 32.46 31.90 2d8r n ARG 39 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2d8r h LYS 40 N 0.00 0.30 0.44 -0.14 1.57 -1.62 -2.92 116.57 114.20 2d8r h LYS 40 Ca 0.30 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2d8r h LYS 40 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2d8r h LYS 40 CO -0.85 0.48 -0.21 0.93 -0.57 0.00 0.00 179.45 179.22 2d8r h GLU 41 N 0.28 -0.57 -0.92 3.15 5.08 0.29 0.28 114.58 122.17 2d8r h GLU 41 Ca 0.05 0.04 0.25 0.00 -1.00 0.00 0.00 59.36 58.70 2d8r h GLU 41 Cb 0.48 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 29.70 2d8r h GLU 41 CO 0.03 -0.38 0.08 -1.49 -1.00 0.00 0.00 179.01 176.25 2d8r h TRP 42 N -0.77 0.05 -0.06 4.33 4.06 -0.73 1.17 115.95 124.00 2d8r h TRP 42 Ca -0.06 0.06 -0.12 0.00 2.06 0.00 0.00 58.89 60.83 2d8r h TRP 42 Cb 0.45 0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.73 2d8r h TRP 42 CO 0.06 -0.35 -0.50 0.28 -3.56 0.00 0.00 178.44 174.38 2d8r h VAL 43 N 0.07 1.35 -0.04 1.49 2.07 -1.52 -2.03 116.25 117.64 2d8r h VAL 43 Ca 0.56 -1.73 -0.16 0.00 0.82 0.00 0.00 66.70 66.18 2d8r h VAL 43 Cb 1.12 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2d8r h VAL 43 CO -0.81 0.51 -0.69 -0.09 0.02 0.00 0.00 177.57 176.51 2d8r h ARG 44 N 0.12 0.19 -0.00 1.57 9.65 0.33 -0.21 114.38 126.03 2d8r h ARG 44 Ca 0.00 -0.15 -0.25 0.00 -1.10 0.00 0.00 59.98 58.48 2d8r h ARG 44 Cb 0.93 0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.55 2d8r h ARG 44 CO 0.07 0.80 -1.01 -0.07 2.80 0.00 0.00 179.97 182.56 2d8r h LEU 45 N 0.13 0.78 -0.22 3.80 3.38 -0.05 -3.26 115.31 119.87 2d8r h LEU 45 Ca -0.02 -0.62 -0.19 0.00 0.09 0.00 0.00 57.88 57.14 2d8r h LEU 45 Cb 1.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2d8r h LEU 45 CO 0.10 1.42 -0.91 1.62 0.09 0.00 0.00 178.44 180.77 2d8r h VAL 46 N 0.34 1.60 -6.15 1.22 3.04 -1.37 -3.48 116.25 111.44 2d8r h VAL 46 Ca -0.11 -2.94 -0.35 0.00 -1.01 0.00 0.00 66.70 62.28 2d8r h VAL 46 Cb 1.66 2.62 0.05 0.00 -2.01 0.00 0.00 31.29 33.60 2d8r h VAL 46 CO 0.19 0.85 -0.77 -1.14 -1.01 0.00 0.00 177.57 175.68 2d8r n ARG 47 N -3.53 -1.31 -1.35 4.17 0.63 -0.09 -4.69 116.66 110.48 2d8r n ARG 47 Ca -0.02 0.75 -0.20 0.00 -0.92 0.00 0.00 57.85 57.46 2d8r n ARG 47 Cb 0.85 -4.07 0.11 0.00 0.45 0.00 0.00 32.46 29.80 2d8r n ARG 47 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2d8r n ARG 48 N -3.32 2.63 0.00 -0.14 3.00 -1.26 -5.03 116.66 112.55 2d8r n ARG 48 Ca -0.12 -3.50 0.00 0.00 -0.01 0.00 0.00 57.85 54.22 2d8r n ARG 48 Cb 0.59 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.94 2d8r n ARG 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2d8r n LYS 49 N -0.95 0.00 -0.77 5.56 4.76 -1.26 -4.07 118.16 121.43 2d8r n LYS 49 Ca 0.47 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.83 2d8r n LYS 49 Cb 0.97 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 34.05 2d8r n LYS 49 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2d8r n ASN 50 N 0.44 4.85 -4.90 4.39 4.13 -1.26 -4.89 115.26 118.02 2d8r n ASN 50 Ca 0.00 -2.37 -0.28 0.00 1.68 0.00 0.00 54.58 53.62 2d8r n ASN 50 Cb 0.00 -1.22 -0.01 0.00 -1.54 0.00 0.00 39.78 37.01 2d8r n ASN 50 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2d8r s PHE 51 N 0.83 3.52 0.01 3.10 -0.12 -1.26 -5.10 117.98 118.97 2d8r s PHE 51 Ca 0.41 0.79 0.01 0.00 -0.05 0.00 0.00 56.93 58.09 2d8r s PHE 51 Cb 0.20 -2.26 -0.01 0.00 -0.63 0.00 0.00 43.02 40.32 2d8r s PHE 51 CO 0.00 -0.14 -0.03 0.08 -0.05 0.00 0.00 175.22 175.08 2d8r s VAL 52 N -2.53 0.20 -0.90 -2.49 1.01 -1.26 -4.99 120.40 109.44 2d8r s VAL 52 Ca 0.47 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 2d8r s VAL 52 Cb -0.10 -0.24 -0.14 0.00 0.00 0.00 0.00 36.38 35.89 2d8r s VAL 52 CO 0.39 -0.18 1.91 -0.81 0.00 0.00 0.00 175.10 176.42 2d8r n PRO 53 N 2.39 1.48 0.00 2.72 -0.04 -1.26 -4.29 135.00 135.99 2d8r n PRO 53 Ca -0.17 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 2d8r n PRO 53 Cb 0.57 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 2d8r n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d8r n GLY 54 N 5.03 0.76 0.19 0.55 0.00 -1.26 -4.96 105.19 105.50 2d8r n GLY 54 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 2d8r n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2d8r n LYS 55 N -1.05 1.81 -1.57 1.61 4.81 -1.26 -5.01 118.16 117.51 2d8r n LYS 55 Ca 0.00 -0.19 -0.14 0.00 -0.87 0.00 0.00 58.31 57.11 2d8r n LYS 55 Cb 0.00 0.06 -0.11 0.00 0.02 0.00 0.00 35.03 35.00 2d8r n LYS 55 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2d8r n HIS 56 N -0.06 0.95 -3.84 5.64 1.44 -1.26 -4.83 115.22 113.26 2d8r n HIS 56 Ca -0.01 -0.12 -0.21 0.00 -2.01 0.00 0.00 57.72 55.37 2d8r n HIS 56 Cb 0.03 -2.58 -0.17 0.00 0.12 0.00 0.00 29.99 27.40 2d8r n HIS 56 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2d8r s THR 57 N 16.50 0.29 0.09 0.61 2.01 -1.26 -4.25 115.64 129.62 2d8r s THR 57 Ca 0.84 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.93 2d8r s THR 57 Cb -0.08 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 2d8r s THR 57 CO 0.16 0.22 0.07 0.72 -0.69 0.00 0.00 174.62 175.10 2d8r s PHE 58 N 1.66 0.50 -0.04 4.92 -0.12 -1.21 -3.96 117.98 119.74 2d8r s PHE 58 Ca -0.00 -0.96 0.07 0.00 -0.05 0.00 0.00 56.93 55.98 2d8r s PHE 58 Cb -0.13 -0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 41.95 2d8r s PHE 58 CO -0.03 -0.48 -0.25 -0.51 -0.05 0.00 0.00 175.22 173.89 2d8r s LEU 59 N -2.94 2.09 0.44 -1.99 1.43 -1.19 -2.76 118.68 113.76 2d8r s LEU 59 Ca 0.11 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 2d8r s LEU 59 Cb 0.07 -1.36 -0.08 0.00 0.03 0.00 0.00 46.19 44.84 2d8r s LEU 59 CO -0.07 0.29 1.36 0.00 0.23 0.00 0.00 176.35 178.16 2d8r h SER 61 N 2.39 0.00 -0.98 0.00 4.64 -1.92 -2.72 113.55 114.96 2d8r h SER 61 Ca -0.50 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.02 2d8r h SER 61 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 2d8r h SER 61 CO 0.61 0.21 0.62 0.11 -0.87 0.00 0.00 176.83 177.51 2d8r h LYS 62 N 0.00 0.60 -0.79 4.77 1.57 -1.90 0.17 116.57 120.99 2d8r h LYS 62 Ca -0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2d8r h LYS 62 Cb 0.43 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2d8r h LYS 62 CO 0.03 0.40 0.52 0.45 -0.57 0.00 0.00 179.45 180.27 2d8r h HIS 63 N 0.62 0.96 -3.46 -1.35 3.86 -1.78 -3.42 115.15 110.58 2d8r h HIS 63 Ca 0.55 0.02 -0.53 0.00 -1.16 0.00 0.00 60.37 59.24 2d8r h HIS 63 Cb 1.05 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 29.16 2d8r h HIS 63 CO -0.00 0.58 -0.02 -0.06 0.86 0.00 0.00 177.93 179.29 2d8r s PHE 64 N -5.86 3.55 0.00 2.45 0.40 0.59 -3.92 117.98 115.20 2d8r s PHE 64 Ca -0.11 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.35 2d8r s PHE 64 Cb 0.18 -2.43 0.00 0.00 0.51 0.00 0.00 43.02 41.28 2d8r s PHE 64 CO 0.79 0.33 0.00 0.39 0.70 0.00 0.00 175.22 177.42 2d8r n GLU 65 N 0.44 0.00 0.00 0.44 -0.58 -1.26 -4.95 120.64 114.73 2d8r n GLU 65 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2d8r n GLU 65 Cb 0.52 -0.04 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 2d8r n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8r n ALA 66 N -3.00 1.05 0.16 0.62 0.00 -1.26 -4.85 120.51 113.23 2d8r n ALA 66 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2d8r n ALA 66 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 2d8r n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2d8r n SER 67 N -1.31 0.44 -0.33 0.00 7.64 -1.26 -0.35 113.62 118.45 2d8r n SER 67 Ca 0.00 0.69 0.14 0.00 1.01 0.00 0.00 58.87 60.72 2d8r n SER 67 Cb 0.00 -0.76 0.62 0.00 -1.01 0.00 0.00 64.21 63.06 2d8r n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d8r s PHE 69 N -2.06 2.03 -0.66 0.00 0.08 0.52 -1.06 117.98 116.83 2d8r s PHE 69 Ca 0.39 -0.92 -0.07 0.00 0.12 0.00 0.00 56.93 56.45 2d8r s PHE 69 Cb 0.21 -1.59 0.17 0.00 -0.57 0.00 0.00 43.02 41.24 2d8r s PHE 69 CO 0.36 0.22 0.52 0.34 -0.10 0.00 0.00 175.22 176.56 2d8r s ASP 70 N -3.78 5.74 0.00 1.36 2.15 0.34 -4.74 116.67 117.73 2d8r s ASP 70 Ca 0.17 -2.68 0.00 0.00 0.43 0.00 0.00 52.55 50.47 2d8r s ASP 70 Cb 0.04 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 2d8r s ASP 70 CO 0.09 -0.47 0.63 0.18 -0.17 0.00 0.00 175.17 175.43 2d8r n LEU 71 N 3.81 0.01 -0.54 -1.34 7.99 -1.26 -3.18 117.00 122.49 2d8r n LEU 71 Ca 0.08 0.81 0.42 0.00 -0.01 0.00 0.00 56.01 57.31 2d8r n LEU 71 Cb 0.41 -0.50 0.67 0.00 -0.11 0.00 0.00 43.42 43.89 2d8r n LEU 71 CO 0.35 -0.50 1.20 1.07 -1.51 0.00 0.00 177.39 178.00 2d8r n THR 72 N -1.99 -0.08 -0.85 -5.08 5.66 -1.26 -4.43 114.28 106.25 2d8r n THR 72 Ca 0.00 1.40 -0.31 0.00 -3.05 0.00 0.00 64.05 62.09 2d8r n THR 72 Cb 0.00 -2.31 0.16 0.00 -1.55 0.00 0.00 70.33 66.62 2d8r n THR 72 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2d8r s GLY 73 N -3.87 1.67 0.38 1.09 0.00 -1.19 -4.84 107.32 100.55 2d8r s GLY 73 Ca -0.05 0.40 0.23 0.00 0.00 0.00 0.00 44.72 45.30 2d8r s GLY 73 CO 0.75 0.84 1.58 -1.61 0.00 0.00 0.00 173.10 174.66 2d8r h GLN 74 N -1.75 0.02 -3.20 2.90 5.75 -1.84 -3.41 115.11 113.57 2d8r h GLN 74 Ca -0.45 -0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 57.96 2d8r h GLN 74 Cb 1.27 -0.00 -0.17 0.00 1.07 0.00 0.00 27.48 29.64 2d8r h GLN 74 CO 0.46 0.01 -0.20 -0.08 -2.65 0.00 0.00 178.83 176.37 2d8r s THR 75 N -5.48 0.07 -0.52 2.39 -1.32 -1.26 -5.09 115.64 104.42 2d8r s THR 75 Ca -0.09 -0.60 -0.27 0.00 -1.21 0.00 0.00 61.69 59.53 2d8r s THR 75 Cb 0.33 -0.93 -0.09 0.00 -1.51 0.00 0.00 72.50 70.30 2d8r s THR 75 CO 0.79 -0.33 2.43 -1.14 -2.21 0.00 0.00 174.62 174.16 2d8r n ARG 76 N 0.58 0.99 -4.52 7.08 0.63 -1.22 -4.61 116.66 115.59 2d8r n ARG 76 Ca -0.19 0.05 -0.33 0.00 -0.92 0.00 0.00 57.85 56.46 2d8r n ARG 76 Cb 0.59 -3.16 -0.14 0.00 0.45 0.00 0.00 32.46 30.20 2d8r n ARG 76 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2d8r s ARG 77 N 8.15 3.46 -0.22 -0.14 0.52 -1.20 -4.72 118.95 124.79 2d8r s ARG 77 Ca 1.03 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 55.32 2d8r s ARG 77 Cb -0.34 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 2d8r s ARG 77 CO 0.30 0.15 1.83 -1.17 0.02 0.00 0.00 175.30 176.43 2d8r s LEU 78 N 0.55 3.75 0.15 2.53 1.98 -1.26 0.12 118.68 126.51 2d8r s LEU 78 Ca -0.06 1.70 -0.34 0.00 -2.89 0.00 0.00 54.13 52.54 2d8r s LEU 78 Cb -0.15 -3.53 -0.15 0.00 0.66 0.00 0.00 46.19 43.03 2d8r s LEU 78 CO 0.03 -1.51 1.49 0.29 -1.89 0.00 0.00 176.35 174.77 2d8r n LYS 79 N 8.09 1.88 0.29 1.98 5.02 -0.22 -4.81 118.16 130.39 2d8r n LYS 79 Ca 0.22 0.68 0.17 0.00 -2.02 0.00 0.00 58.31 57.36 2d8r n LYS 79 Cb 0.45 -2.40 0.89 0.00 -0.02 0.00 0.00 35.03 33.96 2d8r n LYS 79 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2d8r h MET 80 N 5.36 0.00 -0.48 1.97 2.86 -1.91 0.10 114.93 122.84 2d8r h MET 80 Ca -0.45 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 56.89 2d8r h MET 80 Cb 1.28 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.75 2d8r h MET 80 CO 0.84 0.00 -0.16 -0.25 1.06 0.00 0.00 176.91 178.41 2d8r n ASP 81 N -2.77 3.39 -4.38 1.22 9.92 -1.26 -4.42 116.55 118.25 2d8r n ASP 81 Ca -0.02 -3.80 -0.33 0.00 -0.53 0.00 0.00 54.79 50.12 2d8r n ASP 81 Cb 0.20 -0.61 -0.14 0.00 -0.64 0.00 0.00 41.12 39.92 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d8r s ALA 82 N -3.38 2.54 0.13 2.24 0.00 0.36 -5.04 121.76 118.62 2d8r s ALA 82 Ca 0.48 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.57 2d8r s ALA 82 Cb 0.42 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2d8r s ALA 82 CO -0.00 0.38 -0.12 0.14 0.00 0.00 0.00 175.76 176.16 2d8r s VAL 83 N -0.08 3.18 -0.87 0.00 -7.23 -1.26 -4.89 120.40 109.25 2d8r s VAL 83 Ca -0.03 -1.45 -0.25 0.00 -1.81 0.00 0.00 61.98 58.44 2d8r s VAL 83 Cb -0.14 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 2d8r s VAL 83 CO 0.04 0.04 1.94 -2.16 -0.31 0.00 0.00 175.10 174.65 2d8r s PRO 84 N -2.38 2.56 0.08 4.82 0.04 -1.26 -4.79 135.00 134.07 2d8r s PRO 84 Ca 0.22 -0.20 0.05 0.00 0.04 0.00 0.00 61.00 61.11 2d8r s PRO 84 Cb -0.10 -5.00 0.28 0.00 0.04 0.00 0.00 34.50 29.72 2d8r s PRO 84 CO 0.13 -3.32 1.12 0.25 0.04 0.00 0.00 177.00 175.22 2d8r n THR 85 N 7.82 1.59 -2.24 1.26 -2.24 -1.26 -4.66 114.28 114.55 2d8r n THR 85 Ca 0.38 0.56 0.00 0.00 -2.27 0.00 0.00 64.05 62.73 2d8r n THR 85 Cb 0.47 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.14 2d8r n THR 85 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2d8r n ILE 86 N -1.66 0.00 0.00 2.28 -0.00 -1.26 -5.09 119.36 113.64 2d8r n ILE 86 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2d8r n ILE 86 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.70 2d8r n ILE 86 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 2d8r n PHE 87 N 0.00 0.00 -1.08 1.39 3.01 -1.25 -4.91 117.46 114.62 2d8r n PHE 87 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2d8r n PHE 87 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2d8r n PHE 87 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2d8r n ASP 88 N 0.00 -5.17 -4.88 4.37 2.03 -1.26 -4.76 116.55 106.88 2d8r n ASP 88 Ca 0.00 0.61 -0.33 0.00 0.52 0.00 0.00 54.79 55.59 2d8r n ASP 88 Cb 0.00 -2.44 -0.05 0.00 -0.72 0.00 0.00 41.12 37.91 2d8r n ASP 88 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2d8r s PHE 89 N -0.63 3.50 0.25 -0.67 -0.12 -1.26 -4.86 117.98 114.19 2d8r s PHE 89 Ca 0.00 0.69 0.06 0.00 -0.05 0.00 0.00 56.93 57.63 2d8r s PHE 89 Cb 0.00 -2.10 -0.03 0.00 -0.63 0.00 0.00 43.02 40.25 2d8r s PHE 89 CO 0.00 0.43 0.29 0.00 -0.05 0.00 0.00 175.22 175.90 2d8r s THR 91 N -2.05 0.00 -0.19 0.00 2.01 -1.26 -4.84 115.64 109.31 2d8r s THR 91 Ca 0.34 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 2d8r s THR 91 Cb -0.08 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.31 2d8r s THR 91 CO 0.27 0.00 -0.19 1.57 -0.69 0.00 0.00 174.62 175.58 2d8r n HIS 92 N 0.24 0.00 -3.60 4.92 -0.00 -1.26 -4.97 115.22 110.55 2d8r n HIS 92 Ca -0.11 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.25 2d8r n HIS 92 Cb 0.60 -0.72 -0.07 0.00 -0.00 0.00 0.00 29.99 29.80 2d8r n HIS 92 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 2d8r s ILE 93 N -2.37 5.31 -0.55 3.57 1.10 -1.26 -5.02 121.20 121.98 2d8r s ILE 93 Ca -0.26 0.50 0.06 0.00 -0.51 0.00 0.00 60.65 60.44 2d8r s ILE 93 Cb 0.08 -3.59 0.33 0.00 0.15 0.00 0.00 42.46 39.42 2d8r s ILE 93 CO 0.41 0.45 0.88 -1.20 -2.11 0.00 0.00 174.94 173.38 2d8r n SER 94 N 3.13 3.70 -0.30 4.50 7.64 -1.26 -5.07 113.62 125.95 2d8r n SER 94 Ca -0.14 -3.53 0.03 0.00 1.01 0.00 0.00 58.87 56.25 2d8r n SER 94 Cb 0.52 -0.58 -0.02 0.00 -1.01 0.00 0.00 64.21 63.12 2d8r n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8r n GLY 95 N -0.01 -2.81 3.64 0.23 0.00 -1.26 -4.81 105.19 100.16 2d8r n GLY 95 Ca 0.30 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2d8r n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8r s PRO 96 N -3.36 3.89 -0.30 1.61 0.04 -1.26 -4.95 135.00 130.67 2d8r s PRO 96 Ca 0.00 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 2d8r s PRO 96 Cb 0.00 -4.01 0.18 0.00 0.04 0.00 0.00 34.50 30.71 2d8r s PRO 96 CO 0.00 -1.18 1.11 -1.12 0.04 0.00 0.00 177.00 175.85 2d8r s SER 97 N 3.91 -0.36 0.00 6.66 0.01 -1.26 -5.03 113.70 117.63 2d8r s SER 97 Ca 0.70 0.43 0.17 0.00 1.31 0.00 0.00 55.95 58.57 2d8r s SER 97 Cb -0.26 1.38 -0.01 0.00 0.21 0.00 0.00 66.02 67.35 2d8r s SER 97 CO 0.28 -0.07 0.90 -0.24 0.41 0.00 0.00 173.24 174.52 2d8r n SER 98 N 4.93 1.71 0.00 2.44 2.88 -1.26 -5.09 113.62 119.22 2d8r n SER 98 Ca -0.08 -1.35 0.00 0.00 -1.33 0.00 0.00 58.87 56.11 2d8r n SER 98 Cb 0.54 0.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 2d8r n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42