#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 -1.29 -3.27 1.61 7.64 -1.26 -4.80 113.62 112.25 2d8r n SER 2 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2d8r n SER 2 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2d8r n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d8r s SER 3 N -4.00 -0.03 -0.42 6.43 0.01 -1.26 -5.06 113.70 109.36 2d8r s SER 3 Ca 0.00 -0.35 0.08 0.00 1.31 0.00 0.00 55.95 56.99 2d8r s SER 3 Cb 0.00 1.29 0.26 0.00 0.21 0.00 0.00 66.02 67.78 2d8r s SER 3 CO 0.00 -0.33 0.58 0.61 0.41 0.00 0.00 173.24 174.51 2d8r n GLY 4 N 5.28 3.23 2.80 3.44 0.00 -1.26 -5.05 105.19 113.62 2d8r n GLY 4 Ca 0.02 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.53 1.14 -0.23 1.61 1.04 -1.26 -5.01 113.70 109.45 2d8r s SER 5 Ca 0.36 -0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 2d8r s SER 5 Cb 0.19 0.60 -0.19 0.00 0.10 0.00 0.00 66.02 66.73 2d8r s SER 5 CO -0.10 -0.33 -0.10 -1.54 0.98 0.00 0.00 173.24 172.15 2d8r n SER 6 N 5.33 2.01 0.00 7.02 3.41 -1.26 -5.10 113.62 125.03 2d8r n SER 6 Ca -0.04 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2d8r n SER 6 Cb 0.49 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2d8r n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8r n GLY 7 N 2.16 0.14 3.76 5.00 0.00 -1.26 -5.05 105.19 109.93 2d8r n GLY 7 Ca -0.43 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 2d8r n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d8r s MET 8 N 0.00 3.17 -0.99 1.61 1.00 -1.26 -4.88 119.30 117.94 2d8r s MET 8 Ca 0.00 1.88 -0.24 0.00 0.00 0.00 0.00 55.69 57.33 2d8r s MET 8 Cb 0.00 -2.08 -0.06 0.00 0.00 0.00 0.00 34.83 32.69 2d8r s MET 8 CO 0.00 -1.06 1.94 -1.25 0.00 0.00 0.00 175.02 174.65 2d8r s PRO 9 N -3.13 2.54 0.18 2.03 0.04 -1.26 -4.95 135.00 130.44 2d8r s PRO 9 Ca 0.74 -0.57 0.04 0.00 0.04 0.00 0.00 61.00 61.24 2d8r s PRO 9 Cb -0.32 -5.12 -0.03 0.00 0.04 0.00 0.00 34.50 29.07 2d8r s PRO 9 CO 0.36 -3.57 0.28 -0.08 0.04 0.00 0.00 177.00 174.02 2d8r s THR 10 N 10.38 5.15 0.32 1.26 -1.32 -1.26 -5.13 115.64 125.04 2d8r s THR 10 Ca 0.70 -0.85 0.04 0.00 -1.21 0.00 0.00 61.69 60.36 2d8r s THR 10 Cb -0.05 -3.69 -0.04 0.00 -1.51 0.00 0.00 72.50 67.22 2d8r s THR 10 CO 0.04 -0.17 0.17 0.54 -2.21 0.00 0.00 174.62 172.99 2d8r s ASN 11 N -3.43 1.66 -0.24 8.08 2.20 -1.26 -4.69 114.94 117.26 2d8r s ASN 11 Ca 0.34 -1.59 -0.28 0.00 -0.94 0.00 0.00 52.86 50.39 2d8r s ASN 11 Cb -0.10 0.41 0.01 0.00 -2.00 0.00 0.00 41.25 39.57 2d8r s ASN 11 CO 0.28 -0.91 0.99 0.00 -2.94 0.00 0.00 177.10 174.52 2d8r h ALA 13 N 7.52 1.35 -2.17 0.00 0.00 -1.68 -3.44 119.26 120.85 2d8r h ALA 13 Ca -0.20 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 53.93 2d8r h ALA 13 Cb 1.07 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.86 2d8r h ALA 13 CO 0.96 0.25 0.98 0.00 0.00 0.00 0.00 179.25 181.44 2d8r n ALA 14 N -2.35 1.17 -1.88 0.00 0.00 -1.26 -4.89 120.51 111.30 2d8r n ALA 14 Ca -0.02 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 2d8r n ALA 14 Cb 0.30 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 2d8r n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8r s ALA 15 N 2.70 3.77 0.00 0.00 0.00 -1.26 -1.87 121.76 125.10 2d8r s ALA 15 Ca 0.86 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.18 2d8r s ALA 15 Cb -0.67 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 18.78 2d8r s ALA 15 CO 0.45 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2d8r n GLY 16 N 3.91 2.46 3.29 0.00 0.00 -1.26 -4.93 105.19 108.67 2d8r n GLY 16 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 4.79 3.84 -2.64 0.00 0.00 -1.26 -4.32 120.51 120.92 2d8r n ALA 18 Ca -0.16 -4.64 -0.38 0.00 0.00 0.00 0.00 53.44 48.26 2d8r n ALA 18 Cb 0.48 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.82 5.11 0.00 0.00 2.01 -1.26 -4.91 115.64 114.77 2d8r s THR 19 Ca 0.30 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.28 2d8r s THR 19 Cb 0.01 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.70 2d8r s THR 19 CO -0.10 0.39 0.00 0.35 -0.69 0.00 0.00 174.62 174.57 2d8r n THR 20 N 3.17 0.00 -0.06 -0.82 -2.24 -1.26 -3.15 114.28 109.92 2d8r n THR 20 Ca -0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 2d8r n THR 20 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.03 0.00 -1.13 4.78 9.36 -1.26 -4.98 117.16 123.90 2d8r n TYR 21 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 2d8r n TYR 21 Cb 0.00 -0.41 -0.02 0.00 -0.63 0.00 0.00 39.34 38.28 2d8r n TYR 21 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2d8r n ASN 22 N -4.15 -5.45 -2.65 2.98 3.02 -1.26 -3.29 115.26 104.46 2d8r n ASN 22 Ca -0.14 0.11 -0.12 0.00 -0.03 0.00 0.00 54.58 54.40 2d8r n ASN 22 Cb 0.43 -3.33 -0.02 0.00 -0.61 0.00 0.00 39.78 36.25 2d8r n ASN 22 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d8r n LYS 23 N -0.31 -1.88 0.00 3.52 5.02 -1.26 -3.73 118.16 119.52 2d8r n LYS 23 Ca -0.04 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2d8r n LYS 23 Cb 0.46 -3.44 0.00 0.00 -0.02 0.00 0.00 35.03 32.03 2d8r n LYS 23 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2d8r n HIS 24 N -2.35 -1.19 -1.89 2.13 -0.00 -1.21 -5.13 115.22 105.58 2d8r n HIS 24 Ca 0.03 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.80 2d8r n HIS 24 Cb 0.36 0.24 -0.02 0.00 -0.12 0.00 0.00 29.99 30.46 2d8r n HIS 24 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 2d8r s ILE 25 N -2.00 2.33 -0.05 3.57 2.07 -1.21 -4.91 121.20 121.00 2d8r s ILE 25 Ca 0.00 0.29 0.02 0.00 -1.41 0.00 0.00 60.65 59.55 2d8r s ILE 25 Cb 0.00 -3.18 0.04 0.00 0.13 0.00 0.00 42.46 39.45 2d8r s ILE 25 CO 0.00 0.05 1.03 0.59 -1.91 0.00 0.00 174.94 174.70 2d8r n ASN 26 N 1.81 2.08 -3.06 4.50 3.02 -1.26 -4.74 115.26 117.61 2d8r n ASN 26 Ca 0.06 -2.11 -0.28 0.00 -0.03 0.00 0.00 54.58 52.21 2d8r n ASN 26 Cb 0.39 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.55 0.08 -2.27 2.41 5.41 -1.26 -4.93 119.36 118.25 2d8r n ILE 27 Ca 0.02 -0.36 -0.26 0.00 1.00 0.00 0.00 62.75 63.16 2d8r n ILE 27 Cb 0.30 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.33 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 -0.72 4.45 -0.26 4.38 0.15 -1.26 -4.98 113.70 115.46 2d8r s SER 28 Ca 0.41 0.21 0.01 0.00 0.70 0.00 0.00 55.95 57.29 2d8r s SER 28 Cb -0.38 -0.71 0.07 0.00 -1.71 0.00 0.00 66.02 63.29 2d8r s SER 28 CO 0.47 -1.82 -0.03 0.72 1.20 0.00 0.00 173.24 173.78 2d8r s PHE 29 N -3.30 2.57 -0.35 3.44 -0.71 -1.26 -3.98 117.98 114.38 2d8r s PHE 29 Ca 0.64 -1.95 -0.02 0.00 -1.04 0.00 0.00 56.93 54.56 2d8r s PHE 29 Cb -0.08 -1.79 0.08 0.00 -1.21 0.00 0.00 43.02 40.02 2d8r s PHE 29 CO 0.46 -0.81 0.08 -1.01 -1.34 0.00 0.00 175.22 172.60 2d8r s HIS 30 N 1.33 3.44 0.62 3.49 3.76 -1.21 -4.98 115.29 121.74 2d8r s HIS 30 Ca -0.02 -2.20 -0.09 0.00 -0.15 0.00 0.00 55.06 52.59 2d8r s HIS 30 Cb -0.19 -2.63 0.15 0.00 1.11 0.00 0.00 32.58 31.02 2d8r s HIS 30 CO -0.08 -0.88 0.33 2.89 -0.85 0.00 0.00 174.74 176.15 2d8r n ARG 31 N 4.57 -2.29 -2.34 1.40 1.85 -1.26 -2.89 116.66 115.71 2d8r n ARG 31 Ca -0.07 -0.56 -0.32 0.00 -1.00 0.00 0.00 57.85 55.90 2d8r n ARG 31 Cb 0.42 -0.83 -0.03 0.00 -1.05 0.00 0.00 32.46 30.97 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 -1.41 3.48 0.26 2.89 0.40 -1.26 -4.76 117.98 117.58 2d8r s PHE 32 Ca 0.26 1.44 -0.29 0.00 -0.60 0.00 0.00 56.93 57.73 2d8r s PHE 32 Cb -0.05 -2.78 -0.09 0.00 0.51 0.00 0.00 43.02 40.61 2d8r s PHE 32 CO 0.22 -0.41 1.26 -1.25 0.70 0.00 0.00 175.22 175.74 2d8r s PRO 33 N -4.21 4.44 0.34 0.24 0.04 -1.26 -4.92 135.00 129.67 2d8r s PRO 33 Ca 0.58 2.05 0.27 0.00 0.04 0.00 0.00 61.00 63.94 2d8r s PRO 33 Cb -0.10 -3.15 1.04 0.00 0.04 0.00 0.00 34.50 32.33 2d8r s PRO 33 CO 0.34 -0.12 1.79 -0.07 0.04 0.00 0.00 177.00 178.98 2d8r h LEU 34 N 4.30 0.00 -9.89 -3.56 -0.00 -1.96 -3.34 115.31 100.86 2d8r h LEU 34 Ca -0.47 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 56.93 2d8r h LEU 34 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2d8r h LEU 34 CO 0.71 0.00 0.39 -0.62 -0.00 0.00 0.00 178.44 178.91 2d8r s ASP 35 N -4.78 7.16 0.25 -0.43 2.15 -1.26 -4.92 116.67 114.85 2d8r s ASP 35 Ca 0.04 1.97 0.03 0.00 0.43 0.00 0.00 52.55 55.02 2d8r s ASP 35 Cb 0.09 -2.59 0.32 0.00 -0.30 0.00 0.00 42.92 40.44 2d8r s ASP 35 CO 0.47 -0.20 1.63 1.55 -0.17 0.00 0.00 175.17 178.45 2d8r h PRO 36 N 3.12 0.38 -0.61 4.34 0.13 -1.98 0.41 132.00 137.79 2d8r h PRO 36 Ca -0.47 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 2d8r h PRO 36 Cb 1.20 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2d8r h PRO 36 CO 0.65 0.75 0.36 0.87 -0.23 0.00 0.00 178.00 180.40 2d8r h LYS 37 N 0.31 0.84 0.01 0.86 1.57 -1.96 -2.87 116.57 115.33 2d8r h LYS 37 Ca 0.02 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 2d8r h LYS 37 Cb 0.90 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2d8r h LYS 37 CO 0.08 0.61 -1.00 0.00 -0.57 0.00 0.00 179.45 178.57 2d8r h ARG 38 N 0.83 0.01 -0.84 3.15 2.47 -1.88 -3.27 114.38 114.86 2d8r h ARG 38 Ca 0.22 -0.02 0.13 0.00 -1.26 0.00 0.00 59.98 59.05 2d8r h ARG 38 Cb -0.00 0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 28.19 2d8r h ARG 38 CO -0.04 1.01 -0.31 -2.13 0.56 0.00 0.00 179.97 179.06 2d8r n ARG 39 N -4.44 -0.18 -0.22 0.04 0.63 0.14 0.14 116.66 112.78 2d8r n ARG 39 Ca -0.27 1.29 -0.09 0.00 -0.92 0.00 0.00 57.85 57.86 2d8r n ARG 39 Cb 0.65 -1.91 0.03 0.00 0.45 0.00 0.00 32.46 31.68 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 1.10 0.24 -0.14 1.79 -1.69 -2.86 116.57 115.01 2d8r h LYS 40 Ca 0.30 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2d8r h LYS 40 Cb 0.51 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2d8r h LYS 40 CO -0.83 1.05 -0.19 0.93 -1.08 0.00 0.00 179.45 179.32 2d8r h GLU 41 N 1.01 -0.42 -0.79 3.15 3.07 0.12 0.70 114.58 121.41 2d8r h GLU 41 Ca 0.18 0.03 0.14 0.00 -0.50 0.00 0.00 59.36 59.21 2d8r h GLU 41 Cb 0.53 0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 28.44 2d8r h GLU 41 CO 0.03 -0.28 0.38 -1.49 -1.40 0.00 0.00 179.01 176.24 2d8r h TRP 42 N -0.44 0.66 0.00 4.33 4.06 -0.48 0.70 115.95 124.78 2d8r h TRP 42 Ca -0.01 0.03 -0.14 0.00 2.06 0.00 0.00 58.89 60.83 2d8r h TRP 42 Cb 0.39 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 2d8r h TRP 42 CO -0.12 0.14 -0.68 0.28 -3.56 0.00 0.00 178.44 174.50 2d8r h VAL 43 N 0.55 1.33 0.00 1.49 2.07 -1.23 -1.77 116.25 118.69 2d8r h VAL 43 Ca 0.43 -2.46 -0.08 0.00 0.82 0.00 0.00 66.70 65.41 2d8r h VAL 43 Cb 0.60 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2d8r h VAL 43 CO -0.36 0.67 -0.36 -0.09 0.02 0.00 0.00 177.57 177.44 2d8r h ARG 44 N 0.00 0.00 0.15 1.57 9.65 0.25 -2.87 114.38 123.14 2d8r h ARG 44 Ca -0.01 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.53 2d8r h ARG 44 Cb 1.33 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.91 2d8r h ARG 44 CO 0.09 0.36 -1.78 -0.07 2.80 0.00 0.00 179.97 181.37 2d8r h LEU 45 N 0.00 0.50 -1.16 3.80 3.38 0.36 -3.33 115.31 118.87 2d8r h LEU 45 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2d8r h LEU 45 Cb 1.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2d8r h LEU 45 CO 0.05 1.79 0.00 1.62 0.09 0.00 0.00 178.44 181.98 2d8r h VAL 46 N 0.01 0.00 -5.61 1.22 3.04 -1.41 -3.48 116.25 110.02 2d8r h VAL 46 Ca -0.37 -0.41 -0.16 0.00 -1.01 0.00 0.00 66.70 64.75 2d8r h VAL 46 Cb 2.01 1.31 0.01 0.00 -2.01 0.00 0.00 31.29 32.61 2d8r h VAL 46 CO 0.12 0.00 -0.92 0.54 -1.01 0.00 0.00 177.57 176.30 2d8r n ARG 47 N -2.76 -0.89 -3.40 4.17 1.74 -1.08 -4.44 116.66 110.00 2d8r n ARG 47 Ca 0.01 0.90 -0.20 0.00 -0.77 0.00 0.00 57.85 57.79 2d8r n ARG 47 Cb 0.28 -1.22 -0.09 0.00 -1.02 0.00 0.00 32.46 30.41 2d8r n ARG 47 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2d8r s ARG 48 N -1.42 0.56 -0.94 5.56 0.52 -1.26 -4.84 118.95 117.13 2d8r s ARG 48 Ca 0.16 -0.85 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 2d8r s ARG 48 Cb -0.02 -0.86 0.04 0.00 0.52 0.00 0.00 34.95 34.63 2d8r s ARG 48 CO 0.36 -1.17 0.22 1.63 0.02 0.00 0.00 175.30 176.36 2d8r n LYS 49 N 4.39 -2.75 -2.59 3.54 5.02 -1.26 -0.79 118.16 123.72 2d8r n LYS 49 Ca 0.09 0.38 -0.02 0.00 -2.02 0.00 0.00 58.31 56.74 2d8r n LYS 49 Cb 0.43 -5.00 -0.00 0.00 -0.02 0.00 0.00 35.03 30.44 2d8r n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2d8r n ASN 50 N -1.95 -1.03 -3.12 4.39 3.02 -1.26 -4.85 115.26 110.45 2d8r n ASN 50 Ca -0.05 0.42 -0.07 0.00 -0.03 0.00 0.00 54.58 54.85 2d8r n ASN 50 Cb 0.55 -1.02 0.07 0.00 -0.61 0.00 0.00 39.78 38.76 2d8r n ASN 50 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2d8r n PHE 51 N -2.56 -1.93 -3.97 3.10 -1.74 0.03 -5.05 117.46 105.34 2d8r n PHE 51 Ca 0.01 -0.12 -0.11 0.00 -0.56 0.00 0.00 57.45 56.66 2d8r n PHE 51 Cb 0.50 -0.41 -0.12 0.00 1.52 0.00 0.00 39.48 40.96 2d8r n PHE 51 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2d8r s VAL 52 N -1.13 0.15 0.00 1.97 1.01 -1.26 -4.98 120.40 116.16 2d8r s VAL 52 Ca 0.15 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2d8r s VAL 52 Cb -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2d8r s VAL 52 CO 0.13 -0.26 0.00 -0.81 0.00 0.00 0.00 175.10 174.15 2d8r n PRO 53 N 2.20 0.21 -0.66 2.72 -0.04 -1.26 -4.86 135.00 133.31 2d8r n PRO 53 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2d8r n PRO 53 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 2.43 0.76 1.59 0.55 0.00 -1.26 -5.08 105.19 104.18 2d8r n GLY 54 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.86 2d8r n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d8r n LYS 55 N -0.21 0.04 -0.53 1.61 5.02 -1.26 -4.97 118.16 117.85 2d8r n LYS 55 Ca 0.00 -0.25 0.44 0.00 -2.02 0.00 0.00 58.31 56.48 2d8r n LYS 55 Cb 0.15 0.45 0.69 0.00 -0.02 0.00 0.00 35.03 36.30 2d8r n LYS 55 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 2d8r h HIS 56 N 1.39 0.00 -0.80 2.13 2.07 -2.00 -3.42 115.15 114.53 2d8r h HIS 56 Ca -0.08 0.00 -0.69 0.00 -2.85 0.00 0.00 60.37 56.75 2d8r h HIS 56 Cb 0.46 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.46 2d8r h HIS 56 CO 0.00 0.00 0.46 2.41 -3.07 0.00 0.00 177.93 177.73 2d8r n THR 57 N -3.71 0.00 -4.09 6.12 -1.04 -1.26 -4.79 114.28 105.51 2d8r n THR 57 Ca 0.37 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.27 2d8r n THR 57 Cb 1.83 -0.33 -0.07 0.00 -1.82 0.00 0.00 70.33 69.95 2d8r n THR 57 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2d8r s PHE 58 N 1.95 0.79 -0.01 -1.42 -0.12 -1.26 -4.22 117.98 113.69 2d8r s PHE 58 Ca 0.82 -1.07 0.02 0.00 -0.05 0.00 0.00 56.93 56.65 2d8r s PHE 58 Cb -1.17 -0.15 0.00 0.00 -0.63 0.00 0.00 43.02 41.07 2d8r s PHE 58 CO 0.62 -0.88 -0.06 -0.51 -0.05 0.00 0.00 175.22 174.33 2d8r s LEU 59 N -3.11 1.86 1.01 -1.99 1.43 -1.14 -2.04 118.68 114.70 2d8r s LEU 59 Ca 0.30 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 2d8r s LEU 59 Cb 0.02 -0.38 0.12 0.00 0.03 0.00 0.00 46.19 45.99 2d8r s LEU 59 CO 0.12 0.05 0.63 0.00 0.23 0.00 0.00 176.35 177.39 2d8r n SER 61 N -2.77 0.39 -0.08 0.00 3.41 -1.26 -3.89 113.62 109.43 2d8r n SER 61 Ca 0.06 -0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.43 2d8r n SER 61 Cb 0.55 0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2d8r n SER 61 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2d8r h LYS 62 N 0.06 0.77 -0.41 4.33 1.57 -1.93 -3.04 116.57 117.93 2d8r h LYS 62 Ca 0.00 -0.47 0.09 0.00 -1.87 0.00 0.00 60.65 58.39 2d8r h LYS 62 Cb 0.49 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2d8r h LYS 62 CO 0.00 1.10 0.29 0.45 -0.57 0.00 0.00 179.45 180.72 2d8r h HIS 63 N 0.52 0.17 -2.87 -1.35 3.86 -1.95 -3.42 115.15 110.11 2d8r h HIS 63 Ca 0.02 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.76 2d8r h HIS 63 Cb 1.05 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 29.47 2d8r h HIS 63 CO 0.08 0.09 -0.16 -0.06 0.86 0.00 0.00 177.93 178.74 2d8r s PHE 64 N -5.18 3.50 0.00 2.45 0.40 -1.15 -3.47 117.98 114.53 2d8r s PHE 64 Ca -0.06 0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.66 2d8r s PHE 64 Cb 0.19 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.78 2d8r s PHE 64 CO 0.72 0.07 0.00 0.39 0.70 0.00 0.00 175.22 177.10 2d8r n GLU 65 N -1.84 1.83 0.10 0.44 4.71 -1.26 -4.96 120.64 119.66 2d8r n GLU 65 Ca -0.04 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.12 2d8r n GLU 65 Cb 0.56 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.97 2d8r n GLU 65 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2d8r h ALA 66 N -0.19 0.64 0.00 0.62 0.00 -1.96 -3.22 119.26 115.15 2d8r h ALA 66 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2d8r h ALA 66 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2d8r h ALA 66 CO 0.00 0.75 0.00 0.45 0.00 0.00 0.00 179.25 180.45 2d8r n SER 67 N -3.13 0.00 -0.32 0.00 2.88 -1.26 -2.69 113.62 109.10 2d8r n SER 67 Ca -0.02 -0.67 0.10 0.00 -1.33 0.00 0.00 58.87 56.96 2d8r n SER 67 Cb 0.78 -0.09 -0.04 0.00 -0.75 0.00 0.00 64.21 64.10 2d8r n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d8r s PHE 69 N -2.62 1.55 -0.56 0.00 0.08 -1.10 -0.26 117.98 115.08 2d8r s PHE 69 Ca 0.14 -0.84 0.04 0.00 0.12 0.00 0.00 56.93 56.39 2d8r s PHE 69 Cb 0.17 -1.94 0.15 0.00 -0.57 0.00 0.00 43.02 40.83 2d8r s PHE 69 CO 0.66 -0.57 0.35 0.34 -0.10 0.00 0.00 175.22 175.91 2d8r s ASP 70 N -4.33 4.12 -0.15 1.36 2.15 0.40 -4.67 116.67 115.55 2d8r s ASP 70 Ca 0.36 -3.26 0.16 0.00 0.43 0.00 0.00 52.55 50.23 2d8r s ASP 70 Cb -0.03 -1.41 -0.22 0.00 -0.30 0.00 0.00 42.92 40.97 2d8r s ASP 70 CO 0.23 -0.18 0.09 0.18 -0.17 0.00 0.00 175.17 175.33 2d8r n LEU 71 N 2.73 0.00 -0.13 -1.34 4.32 -1.24 -3.54 117.00 117.80 2d8r n LEU 71 Ca 0.14 0.00 0.26 0.00 -0.02 0.00 0.00 56.01 56.39 2d8r n LEU 71 Cb 0.35 0.38 0.55 0.00 -1.62 0.00 0.00 43.42 43.08 2d8r n LEU 71 CO 0.27 0.38 1.24 0.00 -1.22 0.00 0.00 177.39 178.06 2d8r h THR 72 N 0.00 0.11 0.00 -5.08 1.03 -1.89 -3.13 112.91 103.95 2d8r h THR 72 Ca -0.42 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.98 2d8r h THR 72 Cb 1.94 0.21 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 2d8r h THR 72 CO 0.02 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.14 2d8r n GLY 73 N -1.65 -0.40 3.46 2.99 0.00 -1.26 -5.09 105.19 103.23 2d8r n GLY 73 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2d8r n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d8r s GLN 74 N -0.48 0.64 0.18 1.61 -0.21 -1.18 -5.14 119.66 115.07 2d8r s GLN 74 Ca 0.00 0.80 0.00 0.00 0.02 0.00 0.00 55.36 56.18 2d8r s GLN 74 Cb 0.00 0.29 0.00 0.00 1.00 0.00 0.00 33.01 34.30 2d8r s GLN 74 CO 0.00 -0.09 0.00 -2.37 -2.12 0.00 0.00 175.29 170.71 2d8r n THR 75 N 2.92 0.00 -3.65 -0.19 5.66 -1.26 -4.65 114.28 113.11 2d8r n THR 75 Ca -0.14 0.04 -0.38 0.00 -3.05 0.00 0.00 64.05 60.52 2d8r n THR 75 Cb 0.56 -0.28 -0.12 0.00 -1.55 0.00 0.00 70.33 68.94 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 -1.86 3.56 -0.08 1.09 0.52 -1.26 -3.62 118.95 117.30 2d8r s ARG 76 Ca 0.00 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.66 2d8r s ARG 76 Cb 0.00 -3.55 0.02 0.00 0.52 0.00 0.00 34.95 31.94 2d8r s ARG 76 CO 0.00 -0.31 -0.10 1.03 0.02 0.00 0.00 175.30 175.94 2d8r s ARG 77 N 1.66 1.59 -0.26 3.54 0.52 -1.23 -4.85 118.95 119.91 2d8r s ARG 77 Ca 0.06 -0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 2d8r s ARG 77 Cb -0.16 -1.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.85 2d8r s ARG 77 CO 0.07 -0.08 1.72 -1.17 0.02 0.00 0.00 175.30 175.86 2d8r s LEU 78 N 1.03 3.72 0.33 2.53 1.98 -1.26 0.15 118.68 127.16 2d8r s LEU 78 Ca -0.08 1.51 -0.28 0.00 -2.89 0.00 0.00 54.13 52.39 2d8r s LEU 78 Cb -0.15 -3.53 -0.12 0.00 0.66 0.00 0.00 46.19 43.05 2d8r s LEU 78 CO -0.01 -1.47 1.32 0.29 -1.89 0.00 0.00 176.35 174.60 2d8r n LYS 79 N 8.03 2.16 0.02 1.98 5.02 0.64 -4.83 118.16 131.18 2d8r n LYS 79 Ca 0.21 0.76 0.04 0.00 -2.02 0.00 0.00 58.31 57.30 2d8r n LYS 79 Cb 0.46 -2.36 0.19 0.00 -0.02 0.00 0.00 35.03 33.30 2d8r n LYS 79 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2d8r n MET 80 N 0.78 0.02 -0.65 1.97 2.81 -1.26 -1.30 117.12 119.49 2d8r n MET 80 Ca 0.05 0.41 0.01 0.00 -1.81 0.00 0.00 57.70 56.36 2d8r n MET 80 Cb 0.36 -1.56 0.22 0.00 -0.71 0.00 0.00 33.22 31.53 2d8r n MET 80 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2d8r n ASP 81 N -1.60 3.09 -4.63 7.83 8.00 -1.26 -4.66 116.55 123.32 2d8r n ASP 81 Ca 0.01 -3.44 -0.35 0.00 0.71 0.00 0.00 54.79 51.73 2d8r n ASP 81 Cb 0.08 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.48 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 -3.07 3.29 0.14 2.24 0.00 -0.42 -5.06 121.76 118.88 2d8r s ALA 82 Ca 0.44 -0.77 0.10 0.00 0.00 0.00 0.00 51.96 51.72 2d8r s ALA 82 Cb 0.38 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2d8r s ALA 82 CO 0.04 0.33 -0.23 0.14 0.00 0.00 0.00 175.76 176.04 2d8r s VAL 83 N -0.05 2.01 -0.87 0.00 -7.23 -1.26 -4.94 120.40 108.06 2d8r s VAL 83 Ca 0.05 -1.76 -0.25 0.00 -1.81 0.00 0.00 61.98 58.21 2d8r s VAL 83 Cb -0.13 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 2d8r s VAL 83 CO 0.02 -0.06 1.94 -2.16 -0.31 0.00 0.00 175.10 174.52 2d8r s PRO 84 N -2.23 2.56 0.04 4.82 0.04 -1.26 -4.74 135.00 134.22 2d8r s PRO 84 Ca 0.13 -0.19 0.25 0.00 0.04 0.00 0.00 61.00 61.23 2d8r s PRO 84 Cb -0.09 -4.99 0.52 0.00 0.04 0.00 0.00 34.50 29.99 2d8r s PRO 84 CO 0.06 -3.31 1.43 0.25 0.04 0.00 0.00 177.00 175.48 2d8r n THR 85 N 7.81 0.11 -0.01 1.26 -2.24 -1.26 -4.42 114.28 115.52 2d8r n THR 85 Ca 0.38 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 62.06 2d8r n THR 85 Cb 0.47 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.69 0.30 -3.36 2.28 5.41 -1.23 -5.03 119.36 116.05 2d8r n ILE 86 Ca 0.05 0.44 -0.21 0.00 1.00 0.00 0.00 62.75 64.03 2d8r n ILE 86 Cb 0.37 -1.69 0.02 0.00 -0.71 0.00 0.00 39.64 37.63 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 -2.75 -1.42 -0.13 1.39 3.72 -1.24 -4.86 117.46 112.16 2d8r n PHE 87 Ca -0.01 0.60 -0.11 0.00 -0.05 0.00 0.00 57.45 57.87 2d8r n PHE 87 Cb 0.06 -1.41 -0.02 0.00 -0.94 0.00 0.00 39.48 37.17 2d8r n PHE 87 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2d8r h ASP 88 N 2.81 0.76 0.00 4.37 5.19 -1.95 -3.46 116.42 124.14 2d8r h ASP 88 Ca -0.30 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 55.74 2d8r h ASP 88 Cb 1.21 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.51 2d8r h ASP 88 CO 0.12 0.95 0.00 0.33 -3.12 0.00 0.00 179.24 177.52 2d8r n PHE 89 N -4.34 0.00 -4.02 4.55 7.35 -1.26 -4.74 117.46 115.00 2d8r n PHE 89 Ca -0.01 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.62 2d8r n PHE 89 Cb 0.36 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.17 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2d8r n THR 91 N -0.18 0.00 -2.79 0.00 -2.24 -1.26 -4.94 114.28 102.87 2d8r n THR 91 Ca 0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 2d8r n THR 91 Cb 0.17 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 2d8r n THR 91 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2d8r n HIS 92 N -1.50 3.45 -3.99 4.78 8.25 -1.26 -4.71 115.22 120.25 2d8r n HIS 92 Ca 0.00 -3.00 -0.35 0.00 -0.26 0.00 0.00 57.72 54.11 2d8r n HIS 92 Cb 0.00 -1.75 -0.07 0.00 1.12 0.00 0.00 29.99 29.29 2d8r n HIS 92 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2d8r n ILE 93 N 2.88 0.00 -2.48 1.59 3.06 -1.26 -3.23 119.36 119.91 2d8r n ILE 93 Ca 0.33 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.56 2d8r n ILE 93 Cb 0.37 -0.41 -0.02 0.00 0.54 0.00 0.00 39.64 40.13 2d8r n ILE 93 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2d8r n SER 94 N -1.88 -4.75 -2.08 9.51 7.64 -1.26 -5.03 113.62 115.76 2d8r n SER 94 Ca 0.10 1.44 -0.01 0.00 1.01 0.00 0.00 58.87 61.41 2d8r n SER 94 Cb 0.37 -4.12 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 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 1.94 0.87 3.77 0.23 0.00 -1.20 -5.07 105.19 105.73 2d8r n GLY 95 Ca -0.14 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.43 3.19 0.00 1.61 0.04 -1.26 -4.94 135.00 131.21 2d8r s PRO 96 Ca 0.02 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2d8r s PRO 96 Cb -0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2d8r s PRO 96 CO 0.01 -0.97 0.00 0.45 0.04 0.00 0.00 177.00 176.54 2d8r n SER 97 N -1.64 0.00 0.39 6.66 2.88 -1.26 -5.02 113.62 115.64 2d8r n SER 97 Ca 0.11 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.49 2d8r n SER 97 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 2d8r n SER 97 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2d8r h SER 98 N 0.00 -0.87 0.00 -3.46 0.02 -2.06 -3.58 113.55 103.60 2d8r h SER 98 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2d8r h SER 98 Cb 0.00 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2d8r h SER 98 CO 0.00 -0.51 0.00 0.61 -1.14 0.00 0.00 176.83 175.79