#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 0.00 0.02 1.61 7.64 -1.26 -4.88 113.62 116.75 2d8r n SER 2 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2d8r n SER 2 Cb 0.00 0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2d8r n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2d8r h SER 3 N 0.00 0.63 -3.09 6.43 0.87 -2.14 -3.50 113.55 112.74 2d8r h SER 3 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2d8r h SER 3 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2d8r h SER 3 CO 0.00 1.12 0.00 0.61 -0.53 0.00 0.00 176.83 178.03 2d8r n GLY 4 N 0.47 0.18 2.92 5.77 0.00 -1.26 -4.98 105.19 108.29 2d8r n GLY 4 Ca -0.04 -2.28 -0.30 0.00 0.00 0.00 0.00 46.02 43.39 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 -4.00 4.23 0.36 1.61 0.15 -1.26 -4.94 113.70 109.84 2d8r s SER 5 Ca 0.00 -1.63 -0.26 0.00 0.70 0.00 0.00 55.95 54.76 2d8r s SER 5 Cb 0.00 -1.26 -0.12 0.00 -1.71 0.00 0.00 66.02 62.92 2d8r s SER 5 CO 0.00 -0.33 1.00 -1.54 1.20 0.00 0.00 173.24 173.57 2d8r n SER 6 N 4.57 1.24 0.00 5.45 3.41 -1.26 -3.90 113.62 123.13 2d8r n SER 6 Ca -0.04 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 2d8r n SER 6 Cb 0.43 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 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 1.21 3.61 1.18 5.00 0.00 -1.26 -5.10 105.19 109.84 2d8r n GLY 7 Ca 0.09 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -2.89 -2.05 1.61 2.00 -1.25 -4.55 117.12 110.00 2d8r n MET 8 Ca 0.00 2.32 -0.27 0.00 0.00 0.00 0.00 57.70 59.74 2d8r n MET 8 Cb 0.00 -3.13 -0.05 0.00 0.00 0.00 0.00 33.22 30.04 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 -4.46 2.56 0.01 0.03 0.04 -1.26 -4.96 135.00 126.96 2d8r s PRO 9 Ca 0.00 -0.24 -0.16 0.00 0.04 0.00 0.00 61.00 60.65 2d8r s PRO 9 Cb 0.00 -5.02 -0.06 0.00 0.04 0.00 0.00 34.50 29.46 2d8r s PRO 9 CO 0.00 -3.35 0.44 0.99 0.04 0.00 0.00 177.00 175.13 2d8r s THR 10 N 10.04 4.98 0.59 1.26 2.01 -1.26 -5.09 115.64 128.17 2d8r s THR 10 Ca 0.70 0.92 0.08 0.00 0.31 0.00 0.00 61.69 63.70 2d8r s THR 10 Cb -0.07 -3.75 0.09 0.00 0.01 0.00 0.00 72.50 68.78 2d8r s THR 10 CO 0.00 0.56 0.82 0.20 -0.69 0.00 0.00 174.62 175.51 2d8r s ASN 11 N -1.01 5.01 -0.19 3.53 -0.87 -1.26 -4.59 114.94 115.55 2d8r s ASN 11 Ca 0.25 -0.78 -0.07 0.00 -1.57 0.00 0.00 52.86 50.68 2d8r s ASN 11 Cb -0.17 0.25 -0.04 0.00 -0.02 0.00 0.00 41.25 41.27 2d8r s ASN 11 CO 0.14 -1.40 0.07 0.00 -2.57 0.00 0.00 177.10 173.34 2d8r h ALA 13 N 6.93 0.56 0.00 0.00 0.00 -1.87 -3.42 119.26 121.46 2d8r h ALA 13 Ca -0.37 0.10 -0.61 0.00 0.00 0.00 0.00 54.91 54.04 2d8r h ALA 13 Cb 1.17 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2d8r h ALA 13 CO 0.68 -0.30 1.20 0.00 0.00 0.00 0.00 179.25 180.84 2d8r n ALA 14 N -2.51 0.20 -0.26 0.00 0.00 -1.26 -4.76 120.51 111.92 2d8r n ALA 14 Ca 0.05 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.63 2d8r n ALA 14 Cb 0.24 -1.80 0.20 0.00 0.00 0.00 0.00 19.45 18.08 2d8r n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8r h ALA 15 N 8.20 1.08 -0.46 0.00 0.00 -1.82 -1.95 119.26 124.31 2d8r h ALA 15 Ca -0.08 0.13 -0.50 0.00 0.00 0.00 0.00 54.91 54.46 2d8r h ALA 15 Cb 1.19 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 2d8r h ALA 15 CO 0.98 -0.24 0.77 0.41 0.00 0.00 0.00 179.25 181.17 2d8r n GLY 16 N -1.33 4.31 3.28 0.00 0.00 -1.26 -4.87 105.19 105.32 2d8r n GLY 16 Ca 0.15 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.14 2.65 -2.63 0.00 0.00 -1.26 -4.92 120.51 114.21 2d8r n ALA 18 Ca -0.16 -2.26 -0.42 0.00 0.00 0.00 0.00 53.44 50.60 2d8r n ALA 18 Cb 0.63 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.05 4.84 0.00 0.00 2.01 -1.26 -4.87 115.64 114.32 2d8r s THR 19 Ca 0.24 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.61 2d8r s THR 19 Cb 0.33 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.74 2d8r s THR 19 CO -0.08 -0.12 0.00 0.35 -0.69 0.00 0.00 174.62 174.07 2d8r n THR 20 N 5.35 0.00 -3.16 -0.82 -2.24 -1.26 -3.34 114.28 108.81 2d8r n THR 20 Ca 0.04 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 2d8r n THR 20 Cb 0.48 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2d8r n THR 20 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2d8r s TYR 21 N -0.77 -1.71 -0.32 4.78 2.02 -1.26 -4.80 117.35 115.29 2d8r s TYR 21 Ca 0.00 0.78 0.10 0.00 -0.37 0.00 0.00 57.07 57.58 2d8r s TYR 21 Cb 0.00 0.30 0.75 0.00 -0.40 0.00 0.00 41.96 42.61 2d8r s TYR 21 CO 0.00 -1.04 1.77 0.09 -1.57 0.00 0.00 175.55 174.80 2d8r n ASN 22 N 5.08 4.99 0.00 2.29 4.13 -1.26 -4.98 115.26 125.51 2d8r n ASN 22 Ca 0.07 -3.12 0.00 0.00 1.68 0.00 0.00 54.58 53.21 2d8r n ASN 22 Cb 0.55 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 2d8r n ASN 22 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2d8r n LYS 23 N 0.05 0.00 -0.04 3.52 5.02 -1.26 -3.75 118.16 121.69 2d8r n LYS 23 Ca 0.37 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.52 2d8r n LYS 23 Cb 1.33 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 36.25 2d8r n LYS 23 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2d8r h HIS 24 N 0.00 -1.51 -2.02 2.13 3.86 -2.05 -3.42 115.15 112.14 2d8r h HIS 24 Ca 0.00 0.06 -0.56 0.00 -1.16 0.00 0.00 60.37 58.71 2d8r h HIS 24 Cb 0.00 0.69 0.22 0.00 1.06 0.00 0.00 27.41 29.38 2d8r h HIS 24 CO 0.00 -0.51 -1.66 1.51 0.86 0.00 0.00 177.93 178.13 2d8r n ILE 25 N -5.42 0.01 -1.93 2.45 3.06 -1.25 -4.93 119.36 111.35 2d8r n ILE 25 Ca -0.05 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.71 2d8r n ILE 25 Cb 0.37 -0.01 0.00 0.00 0.54 0.00 0.00 39.64 40.54 2d8r n ILE 25 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 2d8r n ASN 26 N 3.17 0.00 -4.50 9.51 2.85 -1.26 -4.84 115.26 120.19 2d8r n ASN 26 Ca 0.01 -1.54 -0.53 0.00 -0.11 0.00 0.00 54.58 52.41 2d8r n ASN 26 Cb 0.53 -0.11 -0.06 0.00 1.24 0.00 0.00 39.78 41.39 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2d8r n ILE 27 N 0.00 0.74 -2.22 -1.44 5.41 -1.26 -4.91 119.36 115.68 2d8r n ILE 27 Ca 0.00 -0.19 -0.32 0.00 1.00 0.00 0.00 62.75 63.24 2d8r n ILE 27 Cb 0.61 -0.29 -0.01 0.00 -0.71 0.00 0.00 39.64 39.24 2d8r n ILE 27 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2d8r s SER 28 N -0.22 6.18 -0.35 4.38 1.04 -1.26 -4.94 113.70 118.53 2d8r s SER 28 Ca 0.79 1.71 -0.11 0.00 0.48 0.00 0.00 55.95 58.82 2d8r s SER 28 Cb -1.05 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 62.55 2d8r s SER 28 CO 0.55 -0.89 0.21 0.72 0.98 0.00 0.00 173.24 174.80 2d8r s PHE 29 N -2.51 3.22 -0.40 5.02 -0.12 -1.26 -3.83 117.98 118.10 2d8r s PHE 29 Ca 0.62 -0.60 -0.05 0.00 -0.05 0.00 0.00 56.93 56.84 2d8r s PHE 29 Cb -0.13 -2.44 0.09 0.00 -0.63 0.00 0.00 43.02 39.91 2d8r s PHE 29 CO 0.34 -0.51 0.20 -1.01 -0.05 0.00 0.00 175.22 174.18 2d8r s HIS 30 N 1.63 3.43 1.20 3.49 3.76 -1.19 -4.98 115.29 122.63 2d8r s HIS 30 Ca 0.04 -1.96 -0.13 0.00 -0.15 0.00 0.00 55.06 52.85 2d8r s HIS 30 Cb -0.18 -2.94 0.29 0.00 1.11 0.00 0.00 32.58 30.85 2d8r s HIS 30 CO 0.08 -0.90 0.93 2.89 -0.85 0.00 0.00 174.74 176.89 2d8r n ARG 31 N 4.73 -2.58 -1.61 1.40 1.85 -1.26 -2.90 116.66 116.30 2d8r n ARG 31 Ca -0.07 -0.73 -0.32 0.00 -1.00 0.00 0.00 57.85 55.73 2d8r n ARG 31 Cb 0.42 -2.12 0.06 0.00 -1.05 0.00 0.00 32.46 29.77 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 -2.37 2.63 0.28 2.89 0.40 -1.24 -4.88 117.98 115.68 2d8r s PHE 32 Ca 0.68 1.55 -0.29 0.00 -0.60 0.00 0.00 56.93 58.26 2d8r s PHE 32 Cb -0.25 -3.12 -0.10 0.00 0.51 0.00 0.00 43.02 40.06 2d8r s PHE 32 CO 0.66 -1.70 1.25 -1.25 0.70 0.00 0.00 175.22 174.88 2d8r s PRO 33 N -4.35 4.44 0.05 0.24 0.04 -1.26 -4.92 135.00 129.24 2d8r s PRO 33 Ca 0.65 2.05 0.24 0.00 0.04 0.00 0.00 61.00 63.98 2d8r s PRO 33 Cb -0.19 -3.14 0.98 0.00 0.04 0.00 0.00 34.50 32.19 2d8r s PRO 33 CO 0.46 -0.10 1.76 1.28 0.04 0.00 0.00 177.00 180.44 2d8r n LEU 34 N 1.47 0.17 -4.81 -3.56 7.99 -1.26 -4.13 117.00 112.87 2d8r n LEU 34 Ca 0.02 0.52 -0.35 0.00 -0.01 0.00 0.00 56.01 56.19 2d8r n LEU 34 Cb 0.43 -0.48 -0.06 0.00 -0.11 0.00 0.00 43.42 43.19 2d8r n LEU 34 CO 0.57 -0.14 0.54 -0.62 -1.51 0.00 0.00 177.39 176.24 2d8r s ASP 35 N -3.31 7.09 0.17 -1.43 2.15 -1.26 -4.94 116.67 115.14 2d8r s ASP 35 Ca 0.11 1.60 -0.07 0.00 0.43 0.00 0.00 52.55 54.61 2d8r s ASP 35 Cb 0.15 -2.49 0.06 0.00 -0.30 0.00 0.00 42.92 40.33 2d8r s ASP 35 CO 0.45 -0.12 1.52 1.55 -0.17 0.00 0.00 175.17 178.40 2d8r h PRO 36 N 2.85 0.78 -0.51 4.34 0.13 -1.98 0.34 132.00 137.96 2d8r h PRO 36 Ca -0.48 -0.41 0.03 0.00 -0.87 0.00 0.00 66.00 64.27 2d8r h PRO 36 Cb 1.19 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2d8r h PRO 36 CO 0.64 1.04 0.30 0.87 -0.23 0.00 0.00 178.00 180.62 2d8r h LYS 37 N 0.64 0.57 0.00 0.86 1.57 -1.97 -2.53 116.57 115.71 2d8r h LYS 37 Ca 0.05 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2d8r h LYS 37 Cb 0.96 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2d8r h LYS 37 CO 0.09 0.38 -0.38 0.00 -0.57 0.00 0.00 179.45 178.97 2d8r h ARG 38 N 0.59 0.00 -0.89 3.15 2.47 -1.88 -3.24 114.38 114.57 2d8r h ARG 38 Ca 0.21 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 59.06 2d8r h ARG 38 Cb 0.04 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.22 2d8r h ARG 38 CO -0.10 0.93 -0.38 -2.13 0.56 0.00 0.00 179.97 178.85 2d8r n ARG 39 N -4.57 -0.24 -0.01 0.04 0.63 0.12 0.19 116.66 112.82 2d8r n ARG 39 Ca -0.16 1.37 0.01 0.00 -0.92 0.00 0.00 57.85 58.15 2d8r n ARG 39 Cb 0.51 -2.03 0.32 0.00 0.45 0.00 0.00 32.46 31.71 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 0.55 0.66 -0.14 1.79 -1.62 -2.79 116.57 115.03 2d8r h LYS 40 Ca 0.28 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.63 2d8r h LYS 40 Cb 0.51 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2d8r h LYS 40 CO -0.88 0.51 -0.32 0.93 -1.08 0.00 0.00 179.45 178.62 2d8r h GLU 41 N 0.54 -0.85 -0.90 3.15 3.07 0.21 0.85 114.58 120.65 2d8r h GLU 41 Ca 0.13 0.06 0.25 0.00 -0.50 0.00 0.00 59.36 59.29 2d8r h GLU 41 Cb 0.22 0.19 -0.15 0.00 -0.84 0.00 0.00 28.75 28.17 2d8r h GLU 41 CO -0.00 -0.56 0.18 -1.49 -1.40 0.00 0.00 179.01 175.74 2d8r h TRP 42 N -1.23 0.25 -0.07 4.33 4.06 -0.30 0.80 115.95 123.80 2d8r h TRP 42 Ca -0.09 0.05 -0.18 0.00 2.06 0.00 0.00 58.89 60.73 2d8r h TRP 42 Cb 0.69 0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.88 2d8r h TRP 42 CO 0.00 -0.28 -0.73 0.28 -3.56 0.00 0.00 178.44 174.15 2d8r h VAL 43 N 0.14 1.39 0.00 1.49 2.07 -1.49 -1.63 116.25 118.23 2d8r h VAL 43 Ca 0.57 -2.17 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 2d8r h VAL 43 Cb 1.17 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2d8r h VAL 43 CO -0.72 0.65 -0.21 -0.09 0.02 0.00 0.00 177.57 177.22 2d8r h ARG 44 N 0.24 0.00 0.00 1.57 9.65 0.27 -2.58 114.38 123.53 2d8r h ARG 44 Ca -0.03 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.73 2d8r h ARG 44 Cb 1.30 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.86 2d8r h ARG 44 CO 0.12 0.21 -0.68 -0.07 2.80 0.00 0.00 179.97 182.35 2d8r h LEU 45 N 0.00 0.00 -1.67 3.80 3.38 0.41 -3.35 115.31 117.88 2d8r h LEU 45 Ca -0.00 -0.63 0.08 0.00 0.09 0.00 0.00 57.88 57.42 2d8r h LEU 45 Cb 0.80 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2d8r h LEU 45 CO 0.03 1.21 0.36 1.62 0.09 0.00 0.00 178.44 181.75 2d8r h VAL 46 N -1.00 0.92 -6.13 1.22 3.04 -1.35 -3.47 116.25 109.48 2d8r h VAL 46 Ca -0.18 -0.13 -0.27 0.00 -1.01 0.00 0.00 66.70 65.11 2d8r h VAL 46 Cb 1.07 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 2d8r h VAL 46 CO -0.11 0.07 -0.61 0.54 -1.01 0.00 0.00 177.57 176.46 2d8r n ARG 47 N -4.47 -1.44 -0.08 4.17 5.12 -0.97 -4.20 116.66 114.79 2d8r n ARG 47 Ca 0.08 1.08 -0.10 0.00 -1.93 0.00 0.00 57.85 56.98 2d8r n ARG 47 Cb 0.32 -3.87 -0.04 0.00 -1.16 0.00 0.00 32.46 27.70 2d8r n ARG 47 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2d8r n ARG 48 N -2.29 0.49 0.00 5.56 5.12 -1.26 -4.75 116.66 119.53 2d8r n ARG 48 Ca -0.17 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 2d8r n ARG 48 Cb 0.61 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 2d8r n ARG 48 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2d8r n LYS 49 N -4.55 0.00 -4.20 5.56 5.02 -1.26 -4.95 118.16 113.78 2d8r n LYS 49 Ca -0.15 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.76 2d8r n LYS 49 Cb 0.40 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.34 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 0.00 -1.64 -4.83 4.39 3.02 -1.26 -4.89 115.26 110.05 2d8r n ASN 50 Ca 0.00 -1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 53.27 2d8r n ASN 50 Cb 0.00 -1.44 0.08 0.00 -0.61 0.00 0.00 39.78 37.81 2d8r n ASN 50 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2d8r s PHE 51 N -3.00 1.87 -0.04 3.10 -0.71 -1.26 -5.13 117.98 112.80 2d8r s PHE 51 Ca 0.73 -0.33 -0.13 0.00 -1.04 0.00 0.00 56.93 56.16 2d8r s PHE 51 Cb -0.43 -2.74 0.02 0.00 -1.21 0.00 0.00 43.02 38.67 2d8r s PHE 51 CO 0.90 -1.35 0.29 0.08 -1.34 0.00 0.00 175.22 173.80 2d8r s VAL 52 N -2.92 0.04 0.94 -2.49 1.01 -1.26 -4.99 120.40 110.74 2d8r s VAL 52 Ca 0.63 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 2d8r s VAL 52 Cb -0.07 -0.55 0.16 0.00 0.00 0.00 0.00 36.38 35.92 2d8r s VAL 52 CO 0.41 -0.20 1.09 -2.16 0.00 0.00 0.00 175.10 174.25 2d8r s PRO 53 N -0.91 0.88 0.00 2.72 0.04 -1.26 -4.89 135.00 131.58 2d8r s PRO 53 Ca -0.10 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2d8r s PRO 53 Cb -0.05 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2d8r s PRO 53 CO 0.03 -2.47 0.00 0.41 0.04 0.00 0.00 177.00 175.01 2d8r n GLY 54 N -1.11 0.15 0.00 0.56 0.00 -1.26 -5.09 105.19 98.43 2d8r n GLY 54 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.02 118.16 118.51 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 0.72 -0.52 0.00 0.00 177.40 177.60 2d8r n HIS 56 N 0.00 0.00 -1.66 2.13 8.25 -1.26 -5.08 115.22 117.60 2d8r n HIS 56 Ca 0.00 -0.02 -0.64 0.00 -0.26 0.00 0.00 57.72 56.80 2d8r n HIS 56 Cb 0.00 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 2d8r n HIS 56 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2d8r n THR 57 N -0.02 0.01 -4.15 1.59 -1.04 -1.26 -4.94 114.28 104.47 2d8r n THR 57 Ca 0.00 -0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2d8r n THR 57 Cb 0.22 -0.35 -0.10 0.00 -1.82 0.00 0.00 70.33 68.28 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 1.92 0.89 0.00 -1.42 -0.12 -1.26 -3.69 117.98 114.30 2d8r s PHE 58 Ca 1.00 -1.24 0.01 0.00 -0.05 0.00 0.00 56.93 56.64 2d8r s PHE 58 Cb -1.40 -0.47 -0.00 0.00 -0.63 0.00 0.00 43.02 40.51 2d8r s PHE 58 CO 0.72 -0.55 -0.03 -0.51 -0.05 0.00 0.00 175.22 174.80 2d8r s LEU 59 N -3.07 2.03 1.02 -1.99 1.43 -1.14 -2.45 118.68 114.52 2d8r s LEU 59 Ca 0.26 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 2d8r s LEU 59 Cb 0.07 -0.12 0.20 0.00 0.03 0.00 0.00 46.19 46.37 2d8r s LEU 59 CO 0.04 -0.00 1.10 0.00 0.23 0.00 0.00 176.35 177.71 2d8r n SER 61 N -4.53 1.09 0.13 0.00 3.41 -1.25 -3.89 113.62 108.58 2d8r n SER 61 Ca 0.08 -0.91 -0.00 0.00 -0.26 0.00 0.00 58.87 57.78 2d8r n SER 61 Cb 0.53 0.20 0.10 0.00 -0.26 0.00 0.00 64.21 64.78 2d8r n SER 61 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2d8r h LYS 62 N 1.22 0.00 -0.33 4.33 2.10 -1.92 -3.25 116.57 118.71 2d8r h LYS 62 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2d8r h LYS 62 Cb 0.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2d8r h LYS 62 CO 0.00 0.64 0.07 0.45 -2.00 0.00 0.00 179.45 178.61 2d8r h HIS 63 N 0.00 0.57 -3.86 0.07 3.86 -1.96 -3.43 115.15 110.40 2d8r h HIS 63 Ca -0.01 -0.07 -0.49 0.00 -1.16 0.00 0.00 60.37 58.65 2d8r h HIS 63 Cb 1.29 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2d8r h HIS 63 CO 0.00 0.59 0.40 -0.06 0.86 0.00 0.00 177.93 179.72 2d8r s PHE 64 N -5.26 3.60 0.00 2.45 0.40 -1.23 -4.44 117.98 113.50 2d8r s PHE 64 Ca -0.13 1.75 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 2d8r s PHE 64 Cb 0.09 -3.09 0.00 0.00 0.51 0.00 0.00 43.02 40.53 2d8r s PHE 64 CO 0.75 -0.19 0.00 0.39 0.70 0.00 0.00 175.22 176.87 2d8r n GLU 65 N 0.74 0.00 0.00 0.44 -0.58 -1.26 -4.98 120.64 114.99 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 0.48 -0.06 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 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 1.04 0.32 0.62 0.00 -1.26 -4.84 120.51 113.39 2d8r n ALA 66 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2d8r n ALA 66 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.17 0.00 -0.05 0.00 7.64 -1.26 -1.17 113.62 117.61 2d8r n SER 67 Ca 0.00 0.47 0.12 0.00 1.01 0.00 0.00 58.87 60.47 2d8r n SER 67 Cb 0.00 -0.48 0.32 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.88 2.41 -0.60 0.00 0.08 -0.31 -1.89 117.98 114.78 2d8r s PHE 69 Ca 0.15 -0.62 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 2d8r s PHE 69 Cb 0.18 -2.01 0.15 0.00 -0.57 0.00 0.00 43.02 40.77 2d8r s PHE 69 CO 0.64 -0.05 0.50 0.34 -0.10 0.00 0.00 175.22 176.55 2d8r s ASP 70 N -4.06 5.99 -0.09 1.36 -1.08 0.60 -4.80 116.67 114.60 2d8r s ASP 70 Ca 0.41 -2.24 0.04 0.00 -0.52 0.00 0.00 52.55 50.23 2d8r s ASP 70 Cb 0.00 -2.07 -0.08 0.00 -1.46 0.00 0.00 42.92 39.31 2d8r s ASP 70 CO 0.23 -0.64 -0.03 0.18 0.52 0.00 0.00 175.17 175.43 2d8r n LEU 71 N 4.50 1.58 0.00 -1.34 4.32 -1.26 -3.01 117.00 121.81 2d8r n LEU 71 Ca -0.01 -0.03 0.05 0.00 -0.02 0.00 0.00 56.01 56.00 2d8r n LEU 71 Cb 0.42 -0.09 0.20 0.00 -1.62 0.00 0.00 43.42 42.33 2d8r n LEU 71 CO 0.41 0.44 0.65 1.07 -1.22 0.00 0.00 177.39 178.74 2d8r n THR 72 N -2.55 1.35 0.00 -5.08 5.66 -1.26 -4.11 114.28 108.30 2d8r n THR 72 Ca -0.15 0.34 0.00 0.00 -3.05 0.00 0.00 64.05 61.19 2d8r n THR 72 Cb 0.71 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 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 -0.53 -0.01 0.00 1.09 0.00 -1.26 -5.14 105.19 99.33 2d8r n GLY 73 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2d8r n GLY 73 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2d8r n GLN 74 N -2.02 1.59 -1.64 1.61 -0.06 -1.26 -5.12 117.38 110.48 2d8r n GLN 74 Ca 0.00 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.60 2d8r n GLN 74 Cb 0.00 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.21 2d8r n GLN 74 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2d8r n THR 75 N 0.00 3.03 -1.53 1.69 5.66 -1.26 -4.02 114.28 117.85 2d8r n THR 75 Ca 0.00 -0.50 -0.33 0.00 -3.05 0.00 0.00 64.05 60.17 2d8r n THR 75 Cb 0.00 -1.26 -0.10 0.00 -1.55 0.00 0.00 70.33 67.41 2d8r n THR 75 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2d8r n ARG 76 N -0.39 0.48 -5.14 1.09 1.74 -1.16 -4.50 116.66 108.78 2d8r n ARG 76 Ca 0.11 -0.12 -0.31 0.00 -0.77 0.00 0.00 57.85 56.75 2d8r n ARG 76 Cb 0.43 -2.51 -0.17 0.00 -1.02 0.00 0.00 32.46 29.19 2d8r n ARG 76 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2d8r s ARG 77 N 8.47 2.69 -0.10 5.56 0.52 -1.17 -4.75 118.95 130.17 2d8r s ARG 77 Ca 1.15 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 2d8r s ARG 77 Cb -0.62 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 2d8r s ARG 77 CO 0.35 0.22 1.41 -1.17 0.02 0.00 0.00 175.30 176.13 2d8r s LEU 78 N 0.23 4.25 0.18 2.53 1.98 -1.26 0.22 118.68 126.81 2d8r s LEU 78 Ca -0.14 1.93 -0.30 0.00 -2.89 0.00 0.00 54.13 52.74 2d8r s LEU 78 Cb -0.16 -3.54 -0.08 0.00 0.66 0.00 0.00 46.19 43.07 2d8r s LEU 78 CO 0.07 -0.81 1.15 -0.54 -1.89 0.00 0.00 176.35 174.33 2d8r s LYS 79 N 3.52 4.54 0.64 1.98 1.02 -0.79 -4.90 119.74 125.74 2d8r s LYS 79 Ca 0.62 1.80 0.34 0.00 0.02 0.00 0.00 55.97 58.75 2d8r s LYS 79 Cb -0.27 -3.26 1.89 0.00 -0.52 0.00 0.00 37.83 35.68 2d8r s LYS 79 CO 0.21 -0.00 2.14 0.00 -0.92 0.00 0.00 175.35 176.78 2d8r h MET 80 N 5.14 0.00 -0.62 1.68 -0.00 -1.94 0.41 114.93 119.60 2d8r h MET 80 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.26 2d8r h MET 80 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 2d8r h MET 80 CO 0.73 0.00 0.00 -0.25 -0.00 0.00 0.00 176.91 177.39 2d8r n ASP 81 N -3.33 3.60 -4.59 -0.10 9.92 -1.26 -4.70 116.55 116.09 2d8r n ASP 81 Ca -0.01 -2.36 -0.34 0.00 -0.53 0.00 0.00 54.79 51.55 2d8r n ASP 81 Cb 0.26 -0.50 -0.11 0.00 -0.64 0.00 0.00 41.12 40.13 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 -1.81 3.20 0.15 2.24 0.00 0.14 -5.05 121.76 120.63 2d8r s ALA 82 Ca 0.36 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.64 2d8r s ALA 82 Cb 0.24 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 2d8r s ALA 82 CO 0.17 0.33 -0.24 0.14 0.00 0.00 0.00 175.76 176.16 2d8r s VAL 83 N -0.04 2.43 -1.08 0.00 -7.23 -1.26 -4.89 120.40 108.33 2d8r s VAL 83 Ca 0.03 -1.81 -0.23 0.00 -1.81 0.00 0.00 61.98 58.17 2d8r s VAL 83 Cb -0.13 -2.12 -0.11 0.00 0.56 0.00 0.00 36.38 34.58 2d8r s VAL 83 CO 0.02 0.01 1.93 -0.81 -0.31 0.00 0.00 175.10 175.94 2d8r n PRO 84 N 0.63 1.55 -0.74 4.82 -0.04 -1.26 -4.78 135.00 135.18 2d8r n PRO 84 Ca -0.15 -2.31 -0.06 0.00 -0.04 0.00 0.00 63.50 60.93 2d8r n PRO 84 Cb 0.54 -3.54 -0.06 0.00 -0.04 0.00 0.00 33.50 30.40 2d8r n PRO 84 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2d8r n THR 85 N 7.40 2.45 0.00 0.52 -2.24 -1.26 -4.28 114.28 116.88 2d8r n THR 85 Ca 0.46 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2d8r n THR 85 Cb 0.45 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 1.79 0.00 -3.28 2.28 -0.00 -1.26 -5.03 119.36 113.87 2d8r n ILE 86 Ca 0.19 0.00 -0.24 0.00 -0.00 0.00 0.00 62.75 62.70 2d8r n ILE 86 Cb 0.66 -0.01 0.02 0.00 -0.00 0.00 0.00 39.64 40.32 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 -0.53 -2.47 -3.14 1.39 3.72 -1.26 -5.02 117.46 110.16 2d8r n PHE 87 Ca 0.00 1.03 0.00 0.00 -0.05 0.00 0.00 57.45 58.43 2d8r n PHE 87 Cb 0.00 -2.23 0.00 0.00 -0.94 0.00 0.00 39.48 36.31 2d8r n PHE 87 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2d8r n ASP 88 N 0.11 1.97 -3.90 4.37 5.68 -1.26 -5.12 116.55 118.40 2d8r n ASP 88 Ca -0.03 -0.14 -0.30 0.00 -0.50 0.00 0.00 54.79 53.82 2d8r n ASP 88 Cb 0.57 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.40 2d8r n ASP 88 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2d8r s PHE 89 N 0.70 2.98 0.48 2.11 2.19 -1.26 -5.05 117.98 120.12 2d8r s PHE 89 Ca 0.00 -2.74 0.04 0.00 0.33 0.00 0.00 56.93 54.56 2d8r s PHE 89 Cb 0.00 -2.53 -0.03 0.00 -1.31 0.00 0.00 43.02 39.16 2d8r s PHE 89 CO 0.00 -0.86 0.07 0.00 1.83 0.00 0.00 175.22 176.27 2d8r n THR 91 N -1.25 0.00 -1.32 0.00 5.66 -1.26 -5.05 114.28 111.06 2d8r n THR 91 Ca -0.12 -0.15 -0.37 0.00 -3.05 0.00 0.00 64.05 60.37 2d8r n THR 91 Cb 0.66 0.40 -0.08 0.00 -1.55 0.00 0.00 70.33 69.77 2d8r n THR 91 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2d8r n HIS 92 N -0.23 1.66 -3.30 1.09 8.25 -1.26 -4.78 115.22 116.66 2d8r n HIS 92 Ca -0.13 -1.32 -0.40 0.00 -0.26 0.00 0.00 57.72 55.62 2d8r n HIS 92 Cb 0.54 -1.86 -0.02 0.00 1.12 0.00 0.00 29.99 29.77 2d8r n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2d8r n ILE 93 N 6.97 4.19 -0.03 1.59 2.08 -1.26 -4.76 119.36 128.14 2d8r n ILE 93 Ca 0.47 -5.51 -0.04 0.00 0.56 0.00 0.00 62.75 58.23 2d8r n ILE 93 Cb 0.43 -2.28 -0.01 0.00 -0.75 0.00 0.00 39.64 37.02 2d8r n ILE 93 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2d8r n SER 94 N 1.83 1.30 -1.05 4.38 3.41 -1.26 -5.11 113.62 117.12 2d8r n SER 94 Ca 0.25 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2d8r n SER 94 Cb 0.37 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2d8r n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8r n GLY 95 N 2.27 -0.22 3.00 5.00 0.00 -1.26 -4.90 105.19 109.07 2d8r n GLY 95 Ca -0.07 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.40 1.51 -4.42 1.61 -0.04 -1.26 -4.86 135.00 127.14 2d8r n PRO 96 Ca 0.00 -1.66 -0.25 0.00 -0.04 0.00 0.00 63.50 61.55 2d8r n PRO 96 Cb 0.05 -2.75 -0.11 0.00 -0.04 0.00 0.00 33.50 30.65 2d8r n PRO 96 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d8r s SER 97 N 4.72 3.31 -0.23 3.54 1.04 -1.26 -5.06 113.70 119.76 2d8r s SER 97 Ca 0.52 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 56.05 2d8r s SER 97 Cb 0.13 -0.24 -0.19 0.00 0.10 0.00 0.00 66.02 65.81 2d8r s SER 97 CO 0.09 0.06 -0.09 -1.54 0.98 0.00 0.00 173.24 172.74 2d8r n SER 98 N 0.04 1.85 0.00 7.02 3.41 -1.26 -5.27 113.62 119.40 2d8r n SER 98 Ca -0.11 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2d8r n SER 98 Cb 0.57 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2d8r n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49