#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8r n SER 2 N 0.00 -2.50 -0.00 1.61 7.64 -1.26 -4.76 113.62 114.34 2d8r n SER 2 Ca 0.00 -0.44 0.07 0.00 1.01 0.00 0.00 58.87 59.51 2d8r n SER 2 Cb 0.00 -2.14 -0.10 0.00 -1.01 0.00 0.00 64.21 60.96 2d8r n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d8r n SER 3 N -2.16 1.10 0.00 6.43 3.41 -1.26 -4.95 113.62 116.19 2d8r n SER 3 Ca 0.03 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 2d8r n SER 3 Cb 0.50 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.78 2d8r n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8r n GLY 4 N 1.49 -1.10 0.09 5.00 0.00 -1.26 -5.07 105.19 104.34 2d8r n GLY 4 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 2d8r n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d8r h SER 5 N 0.00 -0.09 -1.71 1.61 0.87 -1.98 -3.48 113.55 108.78 2d8r h SER 5 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2d8r h SER 5 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2d8r h SER 5 CO 0.00 0.34 0.00 -0.24 -0.53 0.00 0.00 176.83 176.40 2d8r n SER 6 N -4.94 0.55 -2.29 6.23 2.88 -1.26 -5.06 113.62 109.72 2d8r n SER 6 Ca -0.08 -0.72 -0.31 0.00 -1.33 0.00 0.00 58.87 56.43 2d8r n SER 6 Cb 0.23 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.74 2d8r n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8r n GLY 7 N 1.37 6.05 0.00 0.46 0.00 -1.26 -4.97 105.19 106.85 2d8r n GLY 7 Ca 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.51 2d8r n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2d8r n MET 8 N -0.76 0.00 -2.12 1.61 0.00 -1.26 -5.12 117.12 109.46 2d8r n MET 8 Ca 0.53 0.00 -0.43 0.00 -0.00 0.00 0.00 57.70 57.80 2d8r n MET 8 Cb 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.93 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 -1.63 3.88 0.75 2.12 0.04 -1.26 -4.98 135.00 133.92 2d8r s PRO 9 Ca 0.00 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.61 2d8r s PRO 9 Cb 0.00 -4.01 -0.00 0.00 0.04 0.00 0.00 34.50 30.53 2d8r s PRO 9 CO 0.00 -1.19 0.73 0.25 0.04 0.00 0.00 177.00 176.83 2d8r n THR 10 N 6.21 1.97 -4.19 1.26 -2.24 -1.26 -4.88 114.28 111.15 2d8r n THR 10 Ca 0.18 -0.35 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 2d8r n THR 10 Cb 0.45 -0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 2d8r n THR 10 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2d8r s ASN 11 N -1.64 5.07 -0.23 3.42 6.03 -1.26 -4.62 114.94 121.70 2d8r s ASN 11 Ca 0.68 -0.41 -0.29 0.00 -1.03 0.00 0.00 52.86 51.81 2d8r s ASN 11 Cb -0.33 -1.15 -0.02 0.00 -3.03 0.00 0.00 41.25 36.72 2d8r s ASN 11 CO 0.56 -0.00 1.60 0.00 -2.03 0.00 0.00 177.10 177.22 2d8r h ALA 13 N 10.72 1.23 -1.88 0.00 0.00 -1.12 -3.43 119.26 124.79 2d8r h ALA 13 Ca -0.33 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.04 2d8r h ALA 13 Cb 1.15 0.00 0.24 0.00 0.00 0.00 0.00 17.79 19.18 2d8r h ALA 13 CO 1.01 -0.23 -1.96 0.00 0.00 0.00 0.00 179.25 178.07 2d8r n ALA 14 N -1.84 -5.54 -1.33 0.00 0.00 -1.26 -4.85 120.51 105.69 2d8r n ALA 14 Ca -0.02 -0.77 -0.24 0.00 0.00 0.00 0.00 53.44 52.42 2d8r n ALA 14 Cb 0.29 -1.09 0.15 0.00 0.00 0.00 0.00 19.45 18.80 2d8r n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8r n ALA 15 N -2.60 5.58 0.00 0.00 0.00 -1.05 -4.58 120.51 117.85 2d8r n ALA 15 Ca -0.02 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.28 2d8r n ALA 15 Cb 0.58 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.07 -0.09 0.00 0.00 0.00 -1.26 -4.89 105.19 97.87 2d8r n GLY 16 Ca 0.56 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.53 -2.49 -0.24 0.00 0.00 -1.26 -5.03 120.51 109.96 2d8r n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2d8r n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2d8r n ALA 18 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2d8r n THR 19 N 0.17 0.48 -1.67 0.00 5.66 -1.26 -5.01 114.28 112.65 2d8r n THR 19 Ca 0.00 -0.62 -0.57 0.00 -3.05 0.00 0.00 64.05 59.81 2d8r n THR 19 Cb 0.00 0.85 -0.07 0.00 -1.55 0.00 0.00 70.33 69.56 2d8r n THR 19 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2d8r n THR 20 N -0.24 0.19 -2.72 1.09 -2.24 -1.26 -3.04 114.28 106.06 2d8r n THR 20 Ca 0.00 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 2d8r n THR 20 Cb 0.22 -1.03 0.02 0.00 -2.10 0.00 0.00 70.33 67.44 2d8r n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8r n TYR 21 N 4.37 -1.39 -3.40 4.78 4.19 -1.26 -4.88 117.16 119.56 2d8r n TYR 21 Ca 0.24 0.59 -0.38 0.00 3.31 0.00 0.00 57.90 61.66 2d8r n TYR 21 Cb 0.13 -1.11 -0.07 0.00 0.49 0.00 0.00 39.34 38.78 2d8r n TYR 21 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 2d8r s ASN 22 N -0.96 6.47 0.24 2.98 -0.87 -1.17 -5.04 114.94 116.59 2d8r s ASN 22 Ca 0.20 0.55 -0.31 0.00 -1.57 0.00 0.00 52.86 51.73 2d8r s ASN 22 Cb -0.02 -2.23 -0.13 0.00 -0.02 0.00 0.00 41.25 38.85 2d8r s ASN 22 CO 0.46 -0.04 1.54 1.17 -2.57 0.00 0.00 177.10 177.65 2d8r n LYS 23 N 4.22 2.35 -3.20 -0.60 4.81 -1.26 -1.53 118.16 122.96 2d8r n LYS 23 Ca -0.09 0.84 -0.23 0.00 -0.87 0.00 0.00 58.31 57.96 2d8r n LYS 23 Cb 0.51 -2.58 0.03 0.00 0.02 0.00 0.00 35.03 33.01 2d8r n LYS 23 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2d8r n HIS 24 N 2.50 -2.01 -4.11 5.64 -0.00 -1.26 -4.98 115.22 111.00 2d8r n HIS 24 Ca 0.12 0.57 -0.12 0.00 0.46 0.00 0.00 57.72 58.75 2d8r n HIS 24 Cb 0.33 -4.12 -0.11 0.00 -0.12 0.00 0.00 29.99 25.97 2d8r n HIS 24 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2d8r s ILE 25 N -3.13 0.60 -0.01 3.57 -1.09 -0.58 -5.05 121.20 115.50 2d8r s ILE 25 Ca 0.37 -1.48 0.20 0.00 -2.23 0.00 0.00 60.65 57.51 2d8r s ILE 25 Cb -0.17 -1.11 0.33 0.00 -1.58 0.00 0.00 42.46 39.93 2d8r s ILE 25 CO 0.45 -0.62 1.13 0.59 -1.23 0.00 0.00 174.94 175.27 2d8r n ASN 26 N 0.76 0.52 -4.50 3.58 3.02 -1.26 -4.74 115.26 112.65 2d8r n ASN 26 Ca -0.18 -2.00 -0.49 0.00 -0.03 0.00 0.00 54.58 51.88 2d8r n ASN 26 Cb 0.58 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2d8r n ILE 27 N 0.32 1.46 -1.64 2.41 5.41 -1.26 -4.95 119.36 121.11 2d8r n ILE 27 Ca -0.02 -0.37 -0.30 0.00 1.00 0.00 0.00 62.75 63.06 2d8r n ILE 27 Cb 1.03 -0.42 0.22 0.00 -0.71 0.00 0.00 39.64 39.76 2d8r n ILE 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2d8r s SER 28 N -0.53 2.07 -0.29 4.38 0.15 -1.26 -4.95 113.70 113.27 2d8r s SER 28 Ca 0.69 0.29 0.01 0.00 0.70 0.00 0.00 55.95 57.63 2d8r s SER 28 Cb -0.91 -0.31 0.09 0.00 -1.71 0.00 0.00 66.02 63.18 2d8r s SER 28 CO 0.56 -3.38 0.04 -0.36 1.20 0.00 0.00 173.24 171.30 2d8r s PHE 29 N -3.63 2.32 -0.48 3.44 0.40 -1.26 -4.13 117.98 114.63 2d8r s PHE 29 Ca 0.75 -1.96 -0.12 0.00 -0.60 0.00 0.00 56.93 54.99 2d8r s PHE 29 Cb -0.04 -1.90 0.11 0.00 0.51 0.00 0.00 43.02 41.70 2d8r s PHE 29 CO 0.54 -0.84 0.39 -1.01 0.70 0.00 0.00 175.22 175.00 2d8r s HIS 30 N 1.41 3.32 1.15 0.36 3.76 -1.24 -4.97 115.29 119.09 2d8r s HIS 30 Ca 0.05 -1.46 -0.16 0.00 -0.15 0.00 0.00 55.06 53.33 2d8r s HIS 30 Cb -0.18 -3.45 0.19 0.00 1.11 0.00 0.00 32.58 30.25 2d8r s HIS 30 CO -0.15 -0.94 0.43 2.89 -0.85 0.00 0.00 174.74 176.12 2d8r n ARG 31 N 5.07 -2.04 -1.79 1.40 1.85 -1.26 -3.03 116.66 116.86 2d8r n ARG 31 Ca -0.11 -0.58 -0.32 0.00 -1.00 0.00 0.00 57.85 55.85 2d8r n ARG 31 Cb 0.41 -1.89 0.03 0.00 -1.05 0.00 0.00 32.46 29.97 2d8r n ARG 31 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2d8r s PHE 32 N -2.30 2.99 0.07 2.89 0.40 -1.25 -4.85 117.98 115.93 2d8r s PHE 32 Ca 0.61 1.48 -0.31 0.00 -0.60 0.00 0.00 56.93 58.12 2d8r s PHE 32 Cb -0.18 -2.97 -0.07 0.00 0.51 0.00 0.00 43.02 40.32 2d8r s PHE 32 CO 0.66 -1.24 1.39 -1.25 0.70 0.00 0.00 175.22 175.48 2d8r s PRO 33 N -4.52 4.31 0.00 0.24 0.04 -1.26 -4.89 135.00 128.93 2d8r s PRO 33 Ca 0.61 2.03 0.16 0.00 0.04 0.00 0.00 61.00 63.85 2d8r s PRO 33 Cb -0.15 -3.37 0.98 0.00 0.04 0.00 0.00 34.50 31.99 2d8r s PRO 33 CO 0.46 -0.48 1.42 1.28 0.04 0.00 0.00 177.00 179.72 2d8r n LEU 34 N 4.46 0.00 -4.86 -3.56 7.99 -1.26 -4.05 117.00 115.72 2d8r n LEU 34 Ca 0.12 0.00 -0.37 0.00 -0.01 0.00 0.00 56.01 55.75 2d8r n LEU 34 Cb 0.43 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.68 2d8r n LEU 34 CO 0.58 0.00 -0.03 -0.62 -1.51 0.00 0.00 177.39 175.82 2d8r s ASP 35 N -1.84 6.58 0.37 -1.43 2.15 -1.26 -4.98 116.67 116.25 2d8r s ASP 35 Ca 0.25 0.69 0.27 0.00 0.43 0.00 0.00 52.55 54.19 2d8r s ASP 35 Cb 0.11 -2.15 1.14 0.00 -0.30 0.00 0.00 42.92 41.73 2d8r s ASP 35 CO 0.19 0.33 1.82 1.55 -0.17 0.00 0.00 175.17 178.88 2d8r h PRO 36 N 4.57 0.00 -0.02 4.34 0.13 -1.98 0.30 132.00 139.34 2d8r h PRO 36 Ca -0.52 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.39 2d8r h PRO 36 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 2d8r h PRO 36 CO 0.62 0.00 -0.83 0.87 -0.23 0.00 0.00 178.00 178.43 2d8r h LYS 37 N 0.00 0.60 0.07 0.86 6.56 -1.94 -3.34 116.57 119.38 2d8r h LYS 37 Ca 0.00 -0.62 -0.37 0.00 -1.06 0.00 0.00 60.65 58.60 2d8r h LYS 37 Cb 0.40 0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 32.20 2d8r h LYS 37 CO 0.00 1.23 -2.11 0.54 -2.06 0.00 0.00 179.45 177.04 2d8r n ARG 38 N -4.02 0.71 -0.42 3.15 5.12 -1.14 -4.00 116.66 116.06 2d8r n ARG 38 Ca -0.10 0.25 0.36 0.00 -1.93 0.00 0.00 57.85 56.43 2d8r n ARG 38 Cb 0.78 -1.65 0.62 0.00 -1.16 0.00 0.00 32.46 31.05 2d8r n ARG 38 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2d8r n ARG 39 N -3.51 -0.04 0.03 5.56 0.63 0.10 0.12 116.66 119.55 2d8r n ARG 39 Ca -0.37 1.17 -0.19 0.00 -0.92 0.00 0.00 57.85 57.54 2d8r n ARG 39 Cb 1.00 -2.28 -0.14 0.00 0.45 0.00 0.00 32.46 31.49 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 0.26 0.13 -0.14 1.57 -1.74 -3.18 116.57 113.47 2d8r h LYS 40 Ca 0.81 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 59.19 2d8r h LYS 40 Cb 2.56 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 35.00 2d8r h LYS 40 CO -0.46 1.18 -0.21 0.93 -0.57 0.00 0.00 179.45 180.32 2d8r h GLU 41 N -0.44 -0.39 -0.03 3.15 3.07 0.80 0.59 114.58 121.33 2d8r h GLU 41 Ca -0.11 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.81 2d8r h GLU 41 Cb 1.49 0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 29.43 2d8r h GLU 41 CO 0.12 -0.26 -0.47 -1.49 -1.40 0.00 0.00 179.01 175.51 2d8r h TRP 42 N -0.41 -1.36 0.00 4.33 4.06 -0.99 0.37 115.95 121.94 2d8r h TRP 42 Ca 0.02 0.05 -0.00 0.00 2.06 0.00 0.00 58.89 61.02 2d8r h TRP 42 Cb 0.42 0.60 -0.00 0.00 -1.00 0.00 0.00 29.16 29.18 2d8r h TRP 42 CO -0.20 -0.53 -0.00 0.28 -3.56 0.00 0.00 178.44 174.43 2d8r h VAL 43 N -0.61 0.04 0.00 1.49 2.07 -1.50 0.61 116.25 118.36 2d8r h VAL 43 Ca 0.04 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2d8r h VAL 43 Cb 0.68 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2d8r h VAL 43 CO -0.35 0.00 -0.69 -0.09 0.02 0.00 0.00 177.57 176.46 2d8r h ARG 44 N 0.00 0.00 0.14 1.57 9.65 0.17 -3.36 114.38 122.55 2d8r h ARG 44 Ca -0.00 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.55 2d8r h ARG 44 Cb 0.04 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2d8r h ARG 44 CO 0.00 0.01 -1.69 -0.07 2.80 0.00 0.00 179.97 181.02 2d8r h LEU 45 N 0.00 0.45 -1.62 3.80 3.38 0.18 -3.34 115.31 118.16 2d8r h LEU 45 Ca -0.00 -0.89 0.26 0.00 0.09 0.00 0.00 57.88 57.33 2d8r h LEU 45 Cb 1.01 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 2d8r h LEU 45 CO 0.00 1.74 0.67 1.62 0.09 0.00 0.00 178.44 182.56 2d8r h VAL 46 N -0.10 0.56 -0.63 1.22 3.04 -1.42 -3.45 116.25 115.46 2d8r h VAL 46 Ca -0.36 -0.09 -0.10 0.00 -1.01 0.00 0.00 66.70 65.15 2d8r h VAL 46 Cb 1.93 0.27 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 2d8r h VAL 46 CO 0.09 0.05 -0.12 -1.14 -1.01 0.00 0.00 177.57 175.44 2d8r n ARG 47 N -4.46 -0.38 0.00 4.17 0.63 -1.26 -2.54 116.66 112.83 2d8r n ARG 47 Ca 0.22 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 2d8r n ARG 47 Cb 0.90 -4.04 0.00 0.00 0.45 0.00 0.00 32.46 29.77 2d8r n ARG 47 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2d8r n ARG 48 N -1.61 2.33 -3.61 -0.14 0.00 -1.26 -4.73 116.66 107.64 2d8r n ARG 48 Ca -0.06 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.52 2d8r n ARG 48 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.85 2d8r n ARG 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2d8r s LYS 49 N 0.00 1.49 -1.43 2.89 1.02 -1.26 -4.88 119.74 117.57 2d8r s LYS 49 Ca 0.00 -2.51 -0.05 0.00 0.02 0.00 0.00 55.97 53.43 2d8r s LYS 49 Cb 0.00 -2.24 0.04 0.00 -0.52 0.00 0.00 37.83 35.11 2d8r s LYS 49 CO 0.00 -1.32 0.69 0.09 -0.92 0.00 0.00 175.35 173.90 2d8r n ASN 50 N 2.67 -2.00 -4.99 2.83 4.13 -1.26 -4.97 115.26 111.67 2d8r n ASN 50 Ca 0.23 -0.88 -0.19 0.00 1.68 0.00 0.00 54.58 55.41 2d8r n ASN 50 Cb 0.41 -3.59 0.03 0.00 -1.54 0.00 0.00 39.78 35.08 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 -3.63 2.80 -0.11 3.10 -0.71 -1.26 -5.13 117.98 113.04 2d8r s PHE 51 Ca 0.24 -0.21 -0.22 0.00 -1.04 0.00 0.00 56.93 55.70 2d8r s PHE 51 Cb -0.12 -2.58 0.05 0.00 -1.21 0.00 0.00 43.02 39.16 2d8r s PHE 51 CO 0.85 -0.68 0.54 0.08 -1.34 0.00 0.00 175.22 174.67 2d8r s VAL 52 N -2.57 0.01 0.29 -2.49 1.01 -1.26 -5.00 120.40 110.39 2d8r s VAL 52 Ca 0.56 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 2d8r s VAL 52 Cb -0.10 -0.81 -0.10 0.00 0.00 0.00 0.00 36.38 35.37 2d8r s VAL 52 CO 0.36 -0.06 1.24 -2.16 0.00 0.00 0.00 175.10 174.48 2d8r s PRO 53 N -0.56 4.45 0.00 2.72 0.04 -1.26 -4.98 135.00 135.41 2d8r s PRO 53 Ca -0.07 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2d8r s PRO 53 Cb -0.03 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2d8r s PRO 53 CO 0.05 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2d8r n GLY 54 N 1.26 0.03 0.94 0.56 0.00 -1.26 -5.01 105.19 101.70 2d8r n GLY 54 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.87 0.00 -2.62 1.61 0.00 -1.26 -4.89 118.16 109.13 2d8r n LYS 55 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 57.98 2d8r n LYS 55 Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 35.03 34.61 2d8r n LYS 55 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2d8r n HIS 56 N -2.39 3.39 -3.92 5.64 -0.00 -1.26 -4.99 115.22 111.68 2d8r n HIS 56 Ca 0.00 -3.15 -0.35 0.00 -0.00 0.00 0.00 57.72 54.22 2d8r n HIS 56 Cb 0.21 -0.75 -0.14 0.00 -0.00 0.00 0.00 29.99 29.31 2d8r n HIS 56 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2d8r s THR 57 N -4.70 3.20 0.28 1.59 2.01 -1.26 -4.65 115.64 112.11 2d8r s THR 57 Ca 0.46 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 2d8r s THR 57 Cb 0.29 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 2d8r s THR 57 CO -0.19 0.35 0.43 0.72 -0.69 0.00 0.00 174.62 175.25 2d8r s PHE 58 N 1.43 0.77 -0.02 4.92 -0.71 -1.26 -3.88 117.98 119.23 2d8r s PHE 58 Ca 0.04 -1.06 0.00 0.00 -1.04 0.00 0.00 56.93 54.87 2d8r s PHE 58 Cb -0.15 -0.03 0.03 0.00 -1.21 0.00 0.00 43.02 41.66 2d8r s PHE 58 CO -0.04 -1.01 0.02 -0.51 -1.34 0.00 0.00 175.22 172.35 2d8r s LEU 59 N -3.13 1.16 1.00 -1.99 1.43 -1.17 -0.41 118.68 115.57 2d8r s LEU 59 Ca 0.28 0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 2d8r s LEU 59 Cb 0.01 -0.08 -0.15 0.00 0.03 0.00 0.00 46.19 45.99 2d8r s LEU 59 CO 0.14 -0.12 -0.87 0.00 0.23 0.00 0.00 176.35 175.73 2d8r n SER 61 N 3.49 1.95 -0.27 0.00 3.41 -1.26 -4.33 113.62 116.62 2d8r n SER 61 Ca -0.02 0.21 0.01 0.00 -0.26 0.00 0.00 58.87 58.81 2d8r n SER 61 Cb 0.58 -0.73 0.06 0.00 -0.26 0.00 0.00 64.21 63.86 2d8r n SER 61 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2d8r n LYS 62 N -3.41 -0.13 0.01 4.33 4.01 -1.26 0.12 118.16 121.84 2d8r n LYS 62 Ca -0.31 1.11 -0.14 0.00 -0.51 0.00 0.00 58.31 58.46 2d8r n LYS 62 Cb 1.05 -1.65 -0.09 0.00 -0.51 0.00 0.00 35.03 33.82 2d8r n LYS 62 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2d8r h HIS 63 N 0.00 -1.49 -3.84 2.13 3.86 -1.86 -3.41 115.15 110.53 2d8r h HIS 63 Ca 0.29 0.05 -0.56 0.00 -1.16 0.00 0.00 60.37 58.99 2d8r h HIS 63 Cb 0.47 0.66 0.15 0.00 1.06 0.00 0.00 27.41 29.74 2d8r h HIS 63 CO -0.60 -0.52 0.46 1.19 0.86 0.00 0.00 177.93 179.33 2d8r n PHE 64 N -5.22 1.90 -2.47 2.45 3.01 0.12 -4.02 117.46 113.22 2d8r n PHE 64 Ca -0.06 0.44 -0.00 0.00 1.01 0.00 0.00 57.45 58.84 2d8r n PHE 64 Cb 0.36 -2.30 0.00 0.00 -0.01 0.00 0.00 39.48 37.52 2d8r n PHE 64 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2d8r n GLU 65 N -0.94 0.73 0.23 -1.08 1.02 -1.26 -4.97 120.64 114.38 2d8r n GLU 65 Ca 0.11 -0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 2d8r n GLU 65 Cb 0.45 -0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.19 2d8r n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d8r h ALA 66 N -0.16 0.98 -0.00 0.62 0.00 -1.95 -2.95 119.26 115.79 2d8r h ALA 66 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2d8r h ALA 66 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2d8r h ALA 66 CO 0.00 0.06 -0.00 0.43 0.00 0.00 0.00 179.25 179.74 2d8r n SER 67 N -3.12 0.06 -0.00 0.00 7.64 -1.26 -2.90 113.62 114.04 2d8r n SER 67 Ca 0.03 -0.98 0.05 0.00 1.01 0.00 0.00 58.87 58.98 2d8r n SER 67 Cb 0.47 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.60 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 -2.09 2.15 -0.72 0.00 0.08 -1.14 -0.78 117.98 115.49 2d8r s PHE 69 Ca 0.04 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.48 2d8r s PHE 69 Cb 0.09 -2.10 0.17 0.00 -0.57 0.00 0.00 43.02 40.61 2d8r s PHE 69 CO 0.47 -0.41 0.52 0.34 -0.10 0.00 0.00 175.22 176.05 2d8r s ASP 70 N -4.27 5.03 -0.16 1.36 2.15 0.35 -4.73 116.67 116.40 2d8r s ASP 70 Ca 0.46 -3.68 -0.15 0.00 0.43 0.00 0.00 52.55 49.61 2d8r s ASP 70 Cb -0.03 -1.71 -0.11 0.00 -0.30 0.00 0.00 42.92 40.78 2d8r s ASP 70 CO 0.28 -0.14 0.05 0.17 -0.17 0.00 0.00 175.17 175.36 2d8r h LEU 71 N 5.73 0.00 -8.08 -1.34 -0.00 -1.73 -3.32 115.31 106.58 2d8r h LEU 71 Ca 0.11 -0.26 -0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2d8r h LEU 71 Cb 0.79 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2d8r h LEU 71 CO 0.74 1.04 0.16 1.07 -0.00 0.00 0.00 178.44 181.46 2d8r n THR 72 N -4.56 0.00 0.00 0.15 5.66 -1.26 -0.63 114.28 113.64 2d8r n THR 72 Ca -0.17 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2d8r n THR 72 Cb 0.42 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.51 2d8r n THR 72 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2d8r n GLY 73 N 5.91 2.26 3.83 1.09 0.00 -1.26 -5.11 105.19 111.91 2d8r n GLY 73 Ca 0.35 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2d8r n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2d8r s GLN 74 N 0.00 1.65 1.04 1.61 2.00 0.20 -5.16 119.66 120.99 2d8r s GLN 74 Ca 0.00 -1.02 -0.18 0.00 -2.00 0.00 0.00 55.36 52.16 2d8r s GLN 74 Cb 0.00 0.49 0.01 0.00 0.80 0.00 0.00 33.01 34.31 2d8r s GLN 74 CO 0.00 -0.77 -0.16 -2.37 -0.50 0.00 0.00 175.29 171.49 2d8r n THR 75 N -0.57 0.00 -1.74 -0.34 5.66 -1.26 -3.65 114.28 112.39 2d8r n THR 75 Ca -0.05 -0.25 -0.40 0.00 -3.05 0.00 0.00 64.05 60.30 2d8r n THR 75 Cb 0.60 -0.46 -0.03 0.00 -1.55 0.00 0.00 70.33 68.89 2d8r n THR 75 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2d8r s ARG 76 N -3.15 2.72 -0.10 1.09 3.00 -1.26 -4.20 118.95 117.05 2d8r s ARG 76 Ca 0.52 1.46 0.02 0.00 0.00 0.00 0.00 55.73 57.73 2d8r s ARG 76 Cb -0.13 -4.42 0.02 0.00 0.00 0.00 0.00 34.95 30.42 2d8r s ARG 76 CO 0.69 -2.57 -0.14 1.03 0.00 0.00 0.00 175.30 174.30 2d8r s ARG 77 N 7.00 2.02 -0.22 3.54 0.52 -1.25 -4.82 118.95 125.75 2d8r s ARG 77 Ca 0.90 -0.49 -0.29 0.00 -0.52 0.00 0.00 55.73 55.33 2d8r s ARG 77 Cb -0.22 -1.75 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 2d8r s ARG 77 CO 0.29 -0.07 1.77 -1.17 0.02 0.00 0.00 175.30 176.14 2d8r s LEU 78 N 1.01 3.80 0.24 2.53 1.98 -1.26 0.13 118.68 127.11 2d8r s LEU 78 Ca -0.07 1.69 -0.31 0.00 -2.89 0.00 0.00 54.13 52.55 2d8r s LEU 78 Cb -0.15 -3.53 -0.12 0.00 0.66 0.00 0.00 46.19 43.06 2d8r s LEU 78 CO -0.01 -1.43 1.68 0.29 -1.89 0.00 0.00 176.35 174.98 2d8r n LYS 79 N 7.97 2.76 0.27 1.98 5.02 0.04 -4.83 118.16 131.38 2d8r n LYS 79 Ca 0.21 0.99 0.17 0.00 -2.02 0.00 0.00 58.31 57.66 2d8r n LYS 79 Cb 0.45 -2.82 0.81 0.00 -0.02 0.00 0.00 35.03 33.45 2d8r n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2d8r h MET 80 N 6.02 0.00 -0.84 1.97 -0.00 -1.92 0.26 114.93 120.42 2d8r h MET 80 Ca -0.45 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 58.74 2d8r h MET 80 Cb 1.21 0.00 -0.28 0.00 -0.00 0.00 0.00 31.60 32.53 2d8r h MET 80 CO 0.89 0.00 0.41 -0.25 -0.00 0.00 0.00 176.91 177.96 2d8r n ASP 81 N -3.12 5.11 -4.25 -0.10 8.00 -1.26 -4.68 116.55 116.25 2d8r n ASP 81 Ca 0.00 -3.73 -0.27 0.00 0.71 0.00 0.00 54.79 51.50 2d8r n ASP 81 Cb 0.43 -0.79 -0.15 0.00 -0.02 0.00 0.00 41.12 40.59 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d8r s ALA 82 N -3.53 1.81 0.14 2.24 0.00 0.91 -5.10 121.76 118.23 2d8r s ALA 82 Ca 0.57 -0.98 0.11 0.00 0.00 0.00 0.00 51.96 51.66 2d8r s ALA 82 Cb 0.47 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2d8r s ALA 82 CO 0.03 0.43 -0.26 0.14 0.00 0.00 0.00 175.76 176.11 2d8r s VAL 83 N -0.60 2.25 -0.83 0.00 -7.23 -1.26 -4.90 120.40 107.83 2d8r s VAL 83 Ca 0.08 -1.82 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 2d8r s VAL 83 Cb -0.09 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2d8r s VAL 83 CO 0.00 0.03 1.93 -2.16 -0.31 0.00 0.00 175.10 174.59 2d8r s PRO 84 N -2.20 2.57 0.00 4.82 0.04 -1.26 -4.78 135.00 134.18 2d8r s PRO 84 Ca 0.15 -0.07 0.12 0.00 0.04 0.00 0.00 61.00 61.24 2d8r s PRO 84 Cb -0.09 -4.90 0.70 0.00 0.04 0.00 0.00 34.50 30.24 2d8r s PRO 84 CO 0.07 -3.22 1.24 0.25 0.04 0.00 0.00 177.00 175.38 2d8r n THR 85 N 7.72 0.00 -4.10 1.26 -2.24 -1.26 -4.72 114.28 110.93 2d8r n THR 85 Ca 0.35 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.99 2d8r n THR 85 Cb 0.48 -0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 68.21 2d8r n THR 85 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2d8r s ILE 86 N -2.00 0.72 0.13 2.28 1.01 -1.26 -4.87 121.20 117.21 2d8r s ILE 86 Ca 0.18 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2d8r s ILE 86 Cb 0.08 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.80 2d8r s ILE 86 CO 0.13 -0.32 0.00 0.49 0.00 0.00 0.00 174.94 175.25 2d8r n PHE 87 N 1.45 -2.78 0.00 3.97 3.72 -1.26 -4.60 117.46 117.97 2d8r n PHE 87 Ca -0.22 0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 2d8r n PHE 87 Cb 0.55 1.40 0.00 0.00 -0.94 0.00 0.00 39.48 40.49 2d8r n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2d8r n ASP 88 N -2.66 0.00 -3.32 4.37 -0.08 -1.26 -5.04 116.55 108.57 2d8r n ASP 88 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 2d8r n ASP 88 Cb 0.00 0.16 -0.01 0.00 2.34 0.00 0.00 41.12 43.62 2d8r n ASP 88 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2d8r s PHE 89 N -1.62 0.22 0.14 -0.67 0.08 -1.26 -5.11 117.98 109.75 2d8r s PHE 89 Ca 0.00 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.31 2d8r s PHE 89 Cb 0.00 0.59 0.00 0.00 -0.57 0.00 0.00 43.02 43.04 2d8r s PHE 89 CO 0.00 -1.36 0.00 0.00 -0.10 0.00 0.00 175.22 173.76 2d8r n THR 91 N 1.66 0.00 -3.29 0.00 -1.04 -1.26 -4.91 114.28 105.44 2d8r n THR 91 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 2d8r n THR 91 Cb 0.00 -0.16 -0.06 0.00 -1.82 0.00 0.00 70.33 68.29 2d8r n THR 91 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2d8r s HIS 92 N -0.83 -1.08 -0.88 -1.42 2.46 -1.26 -5.04 115.29 107.24 2d8r s HIS 92 Ca 0.00 0.48 -0.02 0.00 0.47 0.00 0.00 55.06 55.99 2d8r s HIS 92 Cb 0.00 -0.08 0.31 0.00 -0.13 0.00 0.00 32.58 32.68 2d8r s HIS 92 CO 0.00 -0.96 2.05 0.44 -2.47 0.00 0.00 174.74 173.80 2d8r n ILE 93 N 5.36 4.30 -2.90 0.89 -5.35 -1.26 -4.87 119.36 115.53 2d8r n ILE 93 Ca 0.01 -4.63 -0.09 0.00 -0.27 0.00 0.00 62.75 57.77 2d8r n ILE 93 Cb 0.50 -1.38 0.01 0.00 -1.74 0.00 0.00 39.64 37.03 2d8r n ILE 93 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2d8r n SER 94 N -0.21 -7.67 -2.70 7.28 7.64 -1.26 -5.01 113.62 111.68 2d8r n SER 94 Ca 0.52 0.70 -0.08 0.00 1.01 0.00 0.00 58.87 61.03 2d8r n SER 94 Cb 0.27 -4.83 0.10 0.00 -1.01 0.00 0.00 64.21 58.74 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 0.05 1.32 0.00 0.23 0.00 -1.26 -4.95 105.19 100.59 2d8r n GLY 95 Ca 0.06 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.88 2d8r n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8r n PRO 96 N -0.44 0.39 0.00 1.61 -0.04 -1.26 -4.04 135.00 131.22 2d8r n PRO 96 Ca -0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2d8r n PRO 96 Cb 0.83 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2d8r n PRO 96 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d8r n SER 97 N -1.10 0.00 -4.66 3.54 7.64 -1.26 -5.03 113.62 112.75 2d8r n SER 97 Ca 0.10 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.74 2d8r n SER 97 Cb 0.08 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 2d8r n SER 97 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d8r s SER 98 N -1.00 4.67 0.00 6.43 1.04 -1.26 -5.31 113.70 118.27 2d8r s SER 98 Ca 0.00 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2d8r s SER 98 Cb 0.00 -0.93 0.00 0.00 0.10 0.00 0.00 66.02 65.19 2d8r s SER 98 CO 0.00 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.87