#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 0.84 -0.41 1.61 2.88 -1.26 -5.18 113.62 112.10 2d8r n SER 2 Ca 0.00 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.80 2d8r n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2d8r n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d8r n SER 3 N -1.60 0.00 -2.73 -3.46 7.64 -1.26 -5.09 113.62 107.12 2d8r n SER 3 Ca 0.00 -0.41 -0.04 0.00 1.01 0.00 0.00 58.87 59.42 2d8r n SER 3 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2d8r n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8r n GLY 4 N 0.00 2.10 3.73 0.23 0.00 -1.26 -5.10 105.19 104.90 2d8r n GLY 4 Ca 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 46.02 44.78 2d8r n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8r s SER 5 N -3.61 -0.03 0.19 1.61 0.15 -1.26 -5.16 113.70 105.57 2d8r s SER 5 Ca 0.29 -0.16 -0.12 0.00 0.70 0.00 0.00 55.95 56.66 2d8r s SER 5 Cb 0.36 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2d8r s SER 5 CO -0.02 -0.29 0.39 -0.94 1.20 0.00 0.00 173.24 173.58 2d8r s SER 6 N -3.24 -0.08 -0.75 5.45 1.04 -1.26 -5.10 113.70 109.77 2d8r s SER 6 Ca 0.19 -0.75 0.04 0.00 0.48 0.00 0.00 55.95 55.91 2d8r s SER 6 Cb 0.03 0.51 0.27 0.00 0.10 0.00 0.00 66.02 66.92 2d8r s SER 6 CO -0.03 -0.98 0.93 0.61 0.98 0.00 0.00 173.24 174.75 2d8r n GLY 7 N -0.28 4.92 3.16 7.32 0.00 -1.26 -5.03 105.19 114.03 2d8r n GLY 7 Ca -0.07 -2.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.07 2d8r n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d8r s MET 8 N -2.58 0.52 0.17 1.61 -2.45 -1.26 -5.14 119.30 110.18 2d8r s MET 8 Ca 0.38 -0.18 -0.30 0.00 -1.25 0.00 0.00 55.69 54.33 2d8r s MET 8 Cb 0.13 0.23 -0.08 0.00 1.25 0.00 0.00 34.83 36.35 2d8r s MET 8 CO 0.02 -0.13 1.31 -1.25 1.05 0.00 0.00 175.02 176.03 2d8r s PRO 9 N -1.09 4.38 0.21 4.11 0.04 -1.26 -4.74 135.00 136.65 2d8r s PRO 9 Ca -0.12 2.04 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2d8r s PRO 9 Cb -0.06 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2d8r s PRO 9 CO 0.02 -0.28 0.00 2.41 0.04 0.00 0.00 177.00 179.19 2d8r n THR 10 N 2.95 -2.92 -3.58 1.26 -1.04 -1.26 -5.11 114.28 104.58 2d8r n THR 10 Ca 0.07 1.07 -0.07 0.00 -2.04 0.00 0.00 64.05 63.08 2d8r n THR 10 Cb 0.43 -1.64 -0.04 0.00 -1.82 0.00 0.00 70.33 67.26 2d8r n THR 10 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2d8r s ASN 11 N -2.22 -0.25 0.23 8.00 2.20 -1.26 -4.92 114.94 116.72 2d8r s ASN 11 Ca 0.00 0.18 -0.31 0.00 -0.94 0.00 0.00 52.86 51.79 2d8r s ASN 11 Cb 0.00 0.23 -0.11 0.00 -2.00 0.00 0.00 41.25 39.37 2d8r s ASN 11 CO 0.00 -0.30 1.63 0.00 -2.94 0.00 0.00 177.10 175.48 2d8r h ALA 13 N 6.00 1.00 -2.22 0.00 0.00 -1.88 -3.43 119.26 118.72 2d8r h ALA 13 Ca -0.45 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 2d8r h ALA 13 Cb 1.21 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.03 2d8r h ALA 13 CO 0.88 0.00 1.02 0.00 0.00 0.00 0.00 179.25 181.15 2d8r n ALA 14 N -2.09 1.35 -2.54 0.00 0.00 -1.26 -4.91 120.51 111.06 2d8r n ALA 14 Ca 0.03 0.33 -0.43 0.00 0.00 0.00 0.00 53.44 53.38 2d8r n ALA 14 Cb 0.45 -2.49 -0.02 0.00 0.00 0.00 0.00 19.45 17.40 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 2.85 3.65 0.00 0.00 0.00 -1.26 -3.23 121.76 123.78 2d8r s ALA 15 Ca 0.86 0.34 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2d8r s ALA 15 Cb -0.63 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2d8r s ALA 15 CO 0.44 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2d8r n GLY 16 N 3.45 1.00 1.18 0.00 0.00 -1.26 -4.98 105.19 104.57 2d8r n GLY 16 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.85 -2.78 -3.70 0.00 0.00 -1.26 -5.07 120.51 104.86 2d8r n ALA 18 Ca 0.00 1.33 -0.11 0.00 0.00 0.00 0.00 53.44 54.66 2d8r n ALA 18 Cb 0.00 -2.88 -0.12 0.00 0.00 0.00 0.00 19.45 16.46 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 -0.61 -0.17 0.08 0.00 2.01 -1.26 -5.00 115.64 110.70 2d8r s THR 19 Ca -0.13 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.02 2d8r s THR 19 Cb 0.01 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2d8r s THR 19 CO 0.34 0.06 0.00 0.35 -0.69 0.00 0.00 174.62 174.68 2d8r n THR 20 N 4.56 0.00 0.00 -0.82 -2.24 -1.26 -3.22 114.28 111.30 2d8r n THR 20 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2d8r n THR 20 Cb 0.53 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.71 0.00 0.00 4.78 9.36 -1.26 -4.97 117.16 122.36 2d8r n TYR 21 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2d8r n TYR 21 Cb 0.00 0.07 0.00 0.00 -0.63 0.00 0.00 39.34 38.78 2d8r n TYR 21 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2d8r n ASN 22 N -1.75 0.00 0.00 2.98 5.15 -1.26 -2.48 115.26 117.90 2d8r n ASN 22 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2d8r n ASN 22 Cb 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 2d8r n ASN 22 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2d8r n LYS 23 N 0.00 0.00 -0.70 1.20 4.81 -1.26 -4.96 118.16 117.24 2d8r n LYS 23 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2d8r n LYS 23 Cb 0.00 -0.18 -0.01 0.00 0.02 0.00 0.00 35.03 34.86 2d8r n LYS 23 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2d8r n HIS 24 N -1.76 0.00 -1.71 5.64 8.25 -1.20 -5.12 115.22 119.32 2d8r n HIS 24 Ca 0.00 -0.13 -0.42 0.00 -0.26 0.00 0.00 57.72 56.90 2d8r n HIS 24 Cb 0.00 0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 2d8r n HIS 24 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2d8r n ILE 25 N 0.07 1.90 -1.04 1.59 3.06 -1.03 -4.91 119.36 118.99 2d8r n ILE 25 Ca -0.03 -0.47 0.03 0.00 -2.50 0.00 0.00 62.75 59.78 2d8r n ILE 25 Cb 0.70 -1.66 0.04 0.00 0.54 0.00 0.00 39.64 39.26 2d8r n ILE 25 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2d8r n ASN 26 N 0.84 1.17 -4.74 9.51 0.23 -1.26 -4.95 115.26 116.06 2d8r n ASN 26 Ca 0.05 -2.11 -0.42 0.00 -0.53 0.00 0.00 54.58 51.56 2d8r n ASN 26 Cb 0.36 -0.18 -0.01 0.00 -2.08 0.00 0.00 39.78 37.88 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2d8r n ILE 27 N -0.54 1.76 -1.15 1.53 5.41 -1.26 -4.97 119.36 120.13 2d8r n ILE 27 Ca 0.05 -0.44 -0.30 0.00 1.00 0.00 0.00 62.75 63.06 2d8r n ILE 27 Cb 0.53 -1.81 0.14 0.00 -0.71 0.00 0.00 39.64 37.79 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 -0.05 3.49 -0.28 4.38 0.15 -1.26 -4.93 113.70 115.19 2d8r s SER 28 Ca 0.57 1.58 0.03 0.00 0.70 0.00 0.00 55.95 58.83 2d8r s SER 28 Cb -0.52 -2.25 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 2d8r s SER 28 CO 0.60 -2.64 -0.04 0.72 1.20 0.00 0.00 173.24 173.08 2d8r s PHE 29 N -2.89 3.21 -0.47 3.44 -0.71 -1.26 -3.86 117.98 115.44 2d8r s PHE 29 Ca 0.63 -2.42 -0.01 0.00 -1.04 0.00 0.00 56.93 54.09 2d8r s PHE 29 Cb -0.18 -2.18 0.12 0.00 -1.21 0.00 0.00 43.02 39.57 2d8r s PHE 29 CO 0.57 -0.88 0.25 -1.01 -1.34 0.00 0.00 175.22 172.81 2d8r s HIS 30 N 1.11 3.53 1.25 3.49 3.76 -1.16 -4.98 115.29 122.29 2d8r s HIS 30 Ca -0.01 -2.67 -0.19 0.00 -0.15 0.00 0.00 55.06 52.04 2d8r s HIS 30 Cb -0.19 -3.13 0.28 0.00 1.11 0.00 0.00 32.58 30.64 2d8r s HIS 30 CO -0.07 -0.91 0.62 2.89 -0.85 0.00 0.00 174.74 176.42 2d8r n ARG 31 N 4.09 -3.41 -1.78 1.40 0.00 -1.26 -3.07 116.66 112.62 2d8r n ARG 31 Ca 0.02 -1.00 -0.32 0.00 -0.00 0.00 0.00 57.85 56.54 2d8r n ARG 31 Cb 0.39 -1.77 0.04 0.00 -0.00 0.00 0.00 32.46 31.12 2d8r n ARG 31 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2d8r s PHE 32 N -2.14 2.79 0.50 2.89 0.40 -1.26 -4.81 117.98 116.35 2d8r s PHE 32 Ca 0.56 1.53 -0.21 0.00 -0.60 0.00 0.00 56.93 58.20 2d8r s PHE 32 Cb -0.12 -3.07 -0.07 0.00 0.51 0.00 0.00 43.02 40.27 2d8r s PHE 32 CO 0.50 -1.46 1.15 -1.25 0.70 0.00 0.00 175.22 174.86 2d8r s PRO 33 N -4.27 3.58 0.33 0.24 0.04 -1.26 -4.95 135.00 128.71 2d8r s PRO 33 Ca 0.64 1.70 0.17 0.00 0.04 0.00 0.00 61.00 63.55 2d8r s PRO 33 Cb -0.18 -2.23 0.38 0.00 0.04 0.00 0.00 34.50 32.51 2d8r s PRO 33 CO 0.43 -0.68 1.59 1.25 0.04 0.00 0.00 177.00 179.63 2d8r h LEU 34 N 1.67 0.00-10.00 -3.56 7.12 -1.95 -3.37 115.31 105.22 2d8r h LEU 34 Ca -0.50 0.00 -0.49 0.00 0.13 0.00 0.00 57.88 57.02 2d8r h LEU 34 Cb 1.25 0.00 0.04 0.00 -0.53 0.00 0.00 40.66 41.42 2d8r h LEU 34 CO 0.59 0.43 0.43 -0.62 -0.13 0.00 0.00 178.44 179.14 2d8r s ASP 35 N -6.42 6.41 0.09 1.25 2.15 -1.26 -4.90 116.67 113.99 2d8r s ASP 35 Ca 0.02 2.12 -0.15 0.00 0.43 0.00 0.00 52.55 54.97 2d8r s ASP 35 Cb 0.09 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 40.03 2d8r s ASP 35 CO 0.71 -0.74 1.42 1.55 -0.17 0.00 0.00 175.17 177.94 2d8r h PRO 36 N 2.10 0.67 -0.62 4.34 0.13 -1.98 0.23 132.00 136.87 2d8r h PRO 36 Ca -0.49 -0.35 0.12 0.00 -0.87 0.00 0.00 66.00 64.41 2d8r h PRO 36 Cb 1.23 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.28 2d8r h PRO 36 CO 0.61 0.96 0.12 0.87 -0.23 0.00 0.00 178.00 180.33 2d8r h LYS 37 N 0.41 0.24 0.00 0.86 1.57 -1.97 -1.52 116.57 116.14 2d8r h LYS 37 Ca 0.05 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2d8r h LYS 37 Cb 0.83 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2d8r h LYS 37 CO 0.07 0.16 -0.35 0.00 -0.57 0.00 0.00 179.45 178.76 2d8r h ARG 38 N 0.24 0.00 -0.88 3.15 2.47 -1.88 -3.22 114.38 114.26 2d8r h ARG 38 Ca 0.33 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 59.20 2d8r h ARG 38 Cb 0.51 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.68 2d8r h ARG 38 CO -0.43 0.77 -0.30 -2.13 0.56 0.00 0.00 179.97 178.43 2d8r n ARG 39 N -4.59 -0.16 -0.22 0.04 0.63 0.81 0.16 116.66 113.33 2d8r n ARG 39 Ca -0.14 1.36 -0.05 0.00 -0.92 0.00 0.00 57.85 58.10 2d8r n ARG 39 Cb 0.44 -2.02 0.10 0.00 0.45 0.00 0.00 32.46 31.43 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 1.05 0.73 -0.14 1.79 -1.44 -2.96 116.57 115.61 2d8r h LYS 40 Ca 0.34 -0.22 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 2d8r h LYS 40 Cb 0.56 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2d8r h LYS 40 CO -0.88 0.91 -0.35 0.93 -1.08 0.00 0.00 179.45 178.97 2d8r h GLU 41 N 1.01 -0.95 -1.07 3.15 3.07 0.16 0.17 114.58 120.12 2d8r h GLU 41 Ca 0.22 0.06 0.32 0.00 -0.50 0.00 0.00 59.36 59.46 2d8r h GLU 41 Cb 0.31 0.22 -0.13 0.00 -0.84 0.00 0.00 28.75 28.31 2d8r h GLU 41 CO -0.01 -0.62 0.65 -1.49 -1.40 0.00 0.00 179.01 176.15 2d8r h TRP 42 N -1.04 0.80 0.00 4.33 4.06 -0.65 1.07 115.95 124.53 2d8r h TRP 42 Ca -0.10 0.03 -0.15 0.00 2.06 0.00 0.00 58.89 60.73 2d8r h TRP 42 Cb 0.77 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.69 2d8r h TRP 42 CO -0.02 -0.08 -0.74 0.28 -3.56 0.00 0.00 178.44 174.32 2d8r h VAL 43 N 0.34 1.15 0.00 1.49 2.07 -1.32 -2.47 116.25 117.52 2d8r h VAL 43 Ca 0.70 -2.65 -0.03 0.00 0.82 0.00 0.00 66.70 65.54 2d8r h VAL 43 Cb 1.72 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 34.05 2d8r h VAL 43 CO -0.47 0.66 -0.37 -0.09 0.02 0.00 0.00 177.57 177.32 2d8r h ARG 44 N 0.00 0.00 0.14 1.57 2.43 0.39 -2.79 114.38 116.11 2d8r h ARG 44 Ca -0.02 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.80 2d8r h ARG 44 Cb 1.54 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 2d8r h ARG 44 CO 0.09 0.12 -1.86 -0.07 -1.51 0.00 0.00 179.97 176.74 2d8r h LEU 45 N 0.00 0.45 -1.10 3.80 3.38 0.41 -3.33 115.31 118.92 2d8r h LEU 45 Ca -0.01 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.12 2d8r h LEU 45 Cb 1.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2d8r h LEU 45 CO 0.02 1.73 0.00 1.62 0.09 0.00 0.00 178.44 181.90 2d8r h VAL 46 N 0.08 0.00 -2.80 1.22 3.04 -1.54 -3.46 116.25 112.78 2d8r h VAL 46 Ca -0.37 -0.20 -0.10 0.00 -1.01 0.00 0.00 66.70 65.02 2d8r h VAL 46 Cb 2.05 0.92 0.04 0.00 -2.01 0.00 0.00 31.29 32.30 2d8r h VAL 46 CO 0.12 0.00 -0.20 0.54 -1.01 0.00 0.00 177.57 177.02 2d8r n ARG 47 N -2.40 -1.93 -2.87 4.17 1.74 -1.22 -4.19 116.66 109.96 2d8r n ARG 47 Ca 0.01 0.23 -0.12 0.00 -0.77 0.00 0.00 57.85 57.20 2d8r n ARG 47 Cb 0.18 -3.43 0.04 0.00 -1.02 0.00 0.00 32.46 28.24 2d8r n ARG 47 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2d8r n ARG 48 N -1.82 1.06 0.18 5.56 1.74 -1.06 -4.95 116.66 117.37 2d8r n ARG 48 Ca -0.06 -2.68 0.15 0.00 -0.77 0.00 0.00 57.85 54.50 2d8r n ARG 48 Cb 0.54 -1.15 0.76 0.00 -1.02 0.00 0.00 32.46 31.59 2d8r n ARG 48 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2d8r h LYS 49 N 2.83 0.00 0.00 5.56 1.57 -1.93 0.20 116.57 124.80 2d8r h LYS 49 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2d8r h LYS 49 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2d8r h LYS 49 CO 0.30 0.00 0.00 -0.97 -0.57 0.00 0.00 179.45 178.21 2d8r h ASN 50 N 0.00 0.00 -1.72 0.86 -0.73 -1.92 -3.43 115.58 108.63 2d8r h ASN 50 Ca 0.10 0.00 -0.47 0.00 1.87 0.00 0.00 56.30 57.80 2d8r h ASN 50 Cb 0.45 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 2d8r h ASN 50 CO -0.00 0.00 -0.39 0.12 -0.37 0.00 0.00 177.43 176.79 2d8r s PHE 51 N -3.45 2.91 -0.15 0.67 5.36 0.69 -5.14 117.98 118.88 2d8r s PHE 51 Ca 0.02 -0.33 -0.27 0.00 -0.96 0.00 0.00 56.93 55.40 2d8r s PHE 51 Cb 0.09 -1.99 0.07 0.00 -0.34 0.00 0.00 43.02 40.85 2d8r s PHE 51 CO 0.39 0.01 0.66 0.08 -1.46 0.00 0.00 175.22 174.90 2d8r s VAL 52 N -2.31 0.00 0.81 3.12 1.01 -1.26 -5.00 120.40 116.77 2d8r s VAL 52 Ca 0.45 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 2d8r s VAL 52 Cb -0.07 -0.95 0.08 0.00 0.00 0.00 0.00 36.38 35.44 2d8r s VAL 52 CO 0.29 -0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.30 2d8r s PRO 53 N -0.46 1.98 0.00 2.72 0.04 -1.26 -4.79 135.00 133.22 2d8r s PRO 53 Ca -0.06 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2d8r s PRO 53 Cb -0.03 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2d8r s PRO 53 CO 0.05 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.69 2d8r n GLY 54 N -1.19 1.29 0.00 0.56 0.00 -1.26 -5.08 105.19 99.51 2d8r n GLY 54 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 1.61 5.02 -1.26 -4.97 118.16 118.56 2d8r n LYS 55 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2d8r n LYS 55 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2d8r n LYS 55 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 2d8r n HIS 56 N 0.00 0.00 -1.36 2.13 1.44 -1.26 -5.08 115.22 111.08 2d8r n HIS 56 Ca 0.00 0.00 -0.53 0.00 -2.01 0.00 0.00 57.72 55.18 2d8r n HIS 56 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 2d8r n HIS 56 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2d8r n THR 57 N -0.02 0.00 -4.22 0.61 -1.04 -1.26 -4.80 114.28 103.54 2d8r n THR 57 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2d8r n THR 57 Cb 0.15 -0.19 -0.08 0.00 -1.82 0.00 0.00 70.33 68.38 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 1.15 1.41 0.01 -1.42 -0.71 -1.26 -3.98 117.98 113.18 2d8r s PHE 58 Ca 0.82 -1.48 0.01 0.00 -1.04 0.00 0.00 56.93 55.24 2d8r s PHE 58 Cb -1.16 -0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 40.09 2d8r s PHE 58 CO 0.58 -0.82 -0.05 -0.51 -1.34 0.00 0.00 175.22 173.07 2d8r s LEU 59 N -3.27 2.06 1.11 -1.99 1.43 -1.17 -2.49 118.68 114.36 2d8r s LEU 59 Ca 0.38 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 2d8r s LEU 59 Cb 0.04 -0.19 0.25 0.00 0.03 0.00 0.00 46.19 46.31 2d8r s LEU 59 CO 0.20 -0.01 1.05 0.00 0.23 0.00 0.00 176.35 177.82 2d8r h SER 61 N -2.48 0.18 -0.95 0.00 4.64 -1.92 -3.37 113.55 109.65 2d8r h SER 61 Ca -0.57 -0.38 0.29 0.00 -0.47 0.00 0.00 61.79 60.66 2d8r h SER 61 Cb 1.32 -0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 63.20 2d8r h SER 61 CO 0.47 1.34 0.40 0.11 -0.87 0.00 0.00 176.83 178.28 2d8r h LYS 62 N 0.03 0.24 -0.09 4.77 6.56 -1.93 -0.10 116.57 126.06 2d8r h LYS 62 Ca -0.33 -0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.29 2d8r h LYS 62 Cb 2.02 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 33.56 2d8r h LYS 62 CO 0.09 0.16 -0.43 0.45 -2.06 0.00 0.00 179.45 177.66 2d8r h HIS 63 N 0.24 -1.22 -3.87 -1.35 3.86 -1.97 -3.41 115.15 107.43 2d8r h HIS 63 Ca 0.66 0.05 -0.51 0.00 -1.16 0.00 0.00 60.37 59.41 2d8r h HIS 63 Cb 1.45 0.55 0.04 0.00 1.06 0.00 0.00 27.41 30.50 2d8r h HIS 63 CO -0.14 -0.49 0.52 -0.06 0.86 0.00 0.00 177.93 178.62 2d8r s PHE 64 N -5.88 3.27 0.00 2.45 0.40 -0.05 -4.31 117.98 113.86 2d8r s PHE 64 Ca -0.16 1.58 0.00 0.00 -0.60 0.00 0.00 56.93 57.76 2d8r s PHE 64 Cb 0.09 -3.41 0.00 0.00 0.51 0.00 0.00 43.02 40.21 2d8r s PHE 64 CO 0.64 -1.11 0.00 0.39 0.70 0.00 0.00 175.22 175.83 2d8r n GLU 65 N 0.68 0.00 0.00 0.44 -0.58 -1.26 -4.96 120.64 114.96 2d8r n GLU 65 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2d8r n GLU 65 Cb 0.45 -0.02 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 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 1.59 0.22 0.62 0.00 -1.26 -4.82 120.51 113.86 2d8r n ALA 66 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2d8r n ALA 66 Cb 0.00 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.20 2d8r n ALA 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2d8r h SER 67 N 0.00 0.00 0.42 0.00 0.02 -2.02 0.23 113.55 112.19 2d8r h SER 67 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2d8r h SER 67 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2d8r h SER 67 CO 0.00 0.00 -0.28 0.00 -1.14 0.00 0.00 176.83 175.41 2d8r s PHE 69 N -2.70 2.06 -0.48 0.00 0.08 0.81 -2.34 117.98 115.42 2d8r s PHE 69 Ca 0.20 -0.83 -0.11 0.00 0.12 0.00 0.00 56.93 56.31 2d8r s PHE 69 Cb 0.19 -1.75 0.11 0.00 -0.57 0.00 0.00 43.02 41.00 2d8r s PHE 69 CO 0.57 0.14 0.37 0.34 -0.10 0.00 0.00 175.22 176.54 2d8r s ASP 70 N -3.92 5.84 -0.00 1.36 2.15 0.26 -4.79 116.67 117.57 2d8r s ASP 70 Ca 0.21 -1.76 -0.00 0.00 0.43 0.00 0.00 52.55 51.43 2d8r s ASP 70 Cb 0.03 -2.07 -0.00 0.00 -0.30 0.00 0.00 42.92 40.58 2d8r s ASP 70 CO 0.12 -0.70 -0.01 0.18 -0.17 0.00 0.00 175.17 174.59 2d8r n LEU 71 N 5.02 0.05 -2.59 -1.34 7.99 -1.24 -2.68 117.00 122.21 2d8r n LEU 71 Ca -0.10 0.18 -0.12 0.00 -0.01 0.00 0.00 56.01 55.96 2d8r n LEU 71 Cb 0.41 -0.51 -0.02 0.00 -0.11 0.00 0.00 43.42 43.19 2d8r n LEU 71 CO 0.45 -0.50 -0.04 1.07 -1.51 0.00 0.00 177.39 176.86 2d8r n THR 72 N -2.39 0.00 -2.69 -5.08 5.66 -1.26 -1.98 114.28 106.54 2d8r n THR 72 Ca -0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 2d8r n THR 72 Cb 0.01 -0.14 0.01 0.00 -1.55 0.00 0.00 70.33 68.66 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 -0.56 -2.52 0.00 1.09 0.00 -1.26 -4.94 105.19 97.00 2d8r n GLY 73 Ca 0.03 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2d8r n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2d8r n GLN 74 N 0.09 0.00 0.00 1.61 6.02 -0.84 -5.15 117.38 119.11 2d8r n GLN 74 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2d8r n GLN 74 Cb 0.24 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.50 2d8r n GLN 74 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2d8r n THR 75 N 0.00 0.00 -3.33 5.09 5.66 -1.25 -5.08 114.28 115.37 2d8r n THR 75 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2d8r n THR 75 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2d8r n THR 75 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2d8r s ARG 76 N 1.65 0.49 -0.17 1.09 3.52 -1.09 -3.60 118.95 120.84 2d8r s ARG 76 Ca 0.00 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.34 2d8r s ARG 76 Cb 0.00 -0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 32.90 2d8r s ARG 76 CO 0.00 -1.09 -0.03 1.03 -0.81 0.00 0.00 175.30 174.40 2d8r s ARG 77 N 2.16 3.65 -0.26 5.12 0.52 -1.21 -4.66 118.95 124.26 2d8r s ARG 77 Ca 0.12 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.52 2d8r s ARG 77 Cb -0.13 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.35 2d8r s ARG 77 CO -0.22 0.18 1.83 -1.17 0.02 0.00 0.00 175.30 175.94 2d8r s LEU 78 N 0.54 3.65 0.28 2.53 1.98 -1.26 -0.58 118.68 125.82 2d8r s LEU 78 Ca -0.02 1.56 -0.29 0.00 -2.89 0.00 0.00 54.13 52.48 2d8r s LEU 78 Cb -0.14 -3.53 -0.10 0.00 0.66 0.00 0.00 46.19 43.08 2d8r s LEU 78 CO 0.03 -1.59 1.33 -0.54 -1.89 0.00 0.00 176.35 173.68 2d8r s LYS 79 N 5.44 4.35 0.63 1.98 1.02 -0.99 -4.89 119.74 127.29 2d8r s LYS 79 Ca 0.82 2.18 0.36 0.00 0.02 0.00 0.00 55.97 59.35 2d8r s LYS 79 Cb -0.26 -3.12 2.05 0.00 -0.52 0.00 0.00 37.83 35.98 2d8r s LYS 79 CO 0.33 -0.25 2.26 0.52 -0.92 0.00 0.00 175.35 177.30 2d8r h MET 80 N 4.31 0.00 -0.66 1.68 2.86 -1.92 0.16 114.93 121.37 2d8r h MET 80 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2d8r h MET 80 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2d8r h MET 80 CO 0.71 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.43 2d8r n ASP 81 N -3.45 4.70 -4.58 1.22 8.00 -1.26 -4.73 116.55 116.46 2d8r n ASP 81 Ca -0.02 -2.68 -0.34 0.00 0.71 0.00 0.00 54.79 52.45 2d8r n ASP 81 Cb 0.13 -0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 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 -2.31 3.19 0.14 2.24 0.00 0.57 -5.05 121.76 120.54 2d8r s ALA 82 Ca 0.44 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.71 2d8r s ALA 82 Cb 0.33 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 2d8r s ALA 82 CO 0.14 0.29 -0.24 0.14 0.00 0.00 0.00 175.76 176.09 2d8r s VAL 83 N 0.09 2.13 -1.17 0.00 -7.23 -1.26 -4.90 120.40 108.05 2d8r s VAL 83 Ca 0.02 -1.79 -0.23 0.00 -1.81 0.00 0.00 61.98 58.17 2d8r s VAL 83 Cb -0.13 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.80 2d8r s VAL 83 CO 0.02 -0.02 1.94 -2.16 -0.31 0.00 0.00 175.10 174.56 2d8r s PRO 84 N -2.23 2.49 -0.20 4.82 0.04 -1.26 -4.74 135.00 133.93 2d8r s PRO 84 Ca 0.14 -1.13 0.02 0.00 0.04 0.00 0.00 61.00 60.07 2d8r s PRO 84 Cb -0.09 -5.24 0.30 0.00 0.04 0.00 0.00 34.50 29.51 2d8r s PRO 84 CO 0.07 -3.97 1.39 0.25 0.04 0.00 0.00 177.00 174.78 2d8r n THR 85 N 7.81 1.94 0.01 1.26 -2.24 -1.26 -4.31 114.28 117.50 2d8r n THR 85 Ca 0.45 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2d8r n THR 85 Cb 0.47 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.21 0.10 -3.87 2.28 5.41 -1.26 -5.06 119.36 116.76 2d8r n ILE 86 Ca 0.26 0.03 -0.33 0.00 1.00 0.00 0.00 62.75 63.72 2d8r n ILE 86 Cb 1.01 -0.68 0.01 0.00 -0.71 0.00 0.00 39.64 39.27 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 -2.64 -1.81 -4.93 1.39 3.72 -1.26 -4.54 117.46 107.38 2d8r n PHE 87 Ca 0.00 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.92 2d8r n PHE 87 Cb 0.00 -2.87 0.00 0.00 -0.94 0.00 0.00 39.48 35.67 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 -2.41 -4.30 -4.70 4.37 2.03 -1.26 -4.86 116.55 105.43 2d8r n ASP 88 Ca -0.21 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.86 2d8r n ASP 88 Cb 0.63 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.96 2d8r n ASP 88 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2d8r s PHE 89 N 0.00 2.83 -0.58 -0.67 0.40 -1.26 -5.07 117.98 113.63 2d8r s PHE 89 Ca 0.00 -0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 2d8r s PHE 89 Cb 0.00 -1.28 0.32 0.00 0.51 0.00 0.00 43.02 42.56 2d8r s PHE 89 CO 0.00 0.58 0.88 0.00 0.70 0.00 0.00 175.22 177.38 2d8r n THR 91 N 0.08 0.00 0.25 0.00 -2.24 -1.26 -4.89 114.28 106.22 2d8r n THR 91 Ca 0.30 0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 62.11 2d8r n THR 91 Cb 0.41 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 2d8r n THR 91 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2d8r h HIS 92 N 0.00 -0.63 -3.36 4.78 6.17 -2.06 -3.43 115.15 116.62 2d8r h HIS 92 Ca 0.00 -0.01 -0.56 0.00 0.71 0.00 0.00 60.37 60.50 2d8r h HIS 92 Cb 0.00 0.21 -0.06 0.00 2.52 0.00 0.00 27.41 30.08 2d8r h HIS 92 CO 0.00 -0.34 0.05 -1.50 0.71 0.00 0.00 177.93 176.85 2d8r s ILE 93 N -4.09 5.03 0.27 6.26 2.07 -1.26 -4.89 121.20 124.59 2d8r s ILE 93 Ca -0.12 1.37 0.00 0.00 -1.41 0.00 0.00 60.65 60.49 2d8r s ILE 93 Cb 0.01 -4.00 0.00 0.00 0.13 0.00 0.00 42.46 38.60 2d8r s ILE 93 CO 0.38 0.29 0.00 -1.20 -1.91 0.00 0.00 174.94 172.49 2d8r n SER 94 N 3.57 -0.27 0.00 4.50 7.64 -1.26 -4.64 113.62 123.17 2d8r n SER 94 Ca -0.03 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2d8r n SER 94 Cb 0.51 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 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 1.42 -1.75 3.55 0.23 0.00 -1.26 -5.10 105.19 102.29 2d8r n GLY 95 Ca 0.00 0.66 -0.33 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 2.59 -0.47 1.61 0.04 -1.26 -3.82 135.00 133.69 2d8r s PRO 96 Ca 0.00 0.17 -0.03 0.00 0.04 0.00 0.00 61.00 61.18 2d8r s PRO 96 Cb 0.00 -4.72 0.00 0.00 0.04 0.00 0.00 34.50 29.83 2d8r s PRO 96 CO 0.00 -3.05 0.48 0.45 0.04 0.00 0.00 177.00 174.92 2d8r n SER 97 N 13.35 -6.15 -3.72 6.66 2.88 -1.26 -5.05 113.62 120.33 2d8r n SER 97 Ca 0.30 0.06 -0.21 0.00 -1.33 0.00 0.00 58.87 57.69 2d8r n SER 97 Cb 0.50 -4.08 0.14 0.00 -0.75 0.00 0.00 64.21 60.01 2d8r n SER 97 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d8r n SER 98 N -1.23 0.49 0.00 -3.46 3.41 -1.25 -5.28 113.62 106.30 2d8r n SER 98 Ca 0.02 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 2d8r n SER 98 Cb 0.45 -0.69 0.02 0.00 -0.26 0.00 0.00 64.21 63.74 2d8r n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49