#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 1.22 -1.34 1.61 7.64 -1.26 -4.74 113.62 116.75 2d8r n SER 2 Ca 0.00 0.19 0.09 0.00 1.01 0.00 0.00 58.87 60.16 2d8r n SER 2 Cb 0.00 -0.49 0.31 0.00 -1.01 0.00 0.00 64.21 63.03 2d8r n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d8r n SER 3 N -3.68 4.34 0.00 6.43 2.88 -1.26 -5.06 113.62 117.27 2d8r n SER 3 Ca -0.06 -2.42 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 2d8r n SER 3 Cb 0.21 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 2d8r n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8r n GLY 4 N 0.86 2.14 1.28 0.46 0.00 -1.26 -4.99 105.19 103.68 2d8r n GLY 4 Ca 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2d8r n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8r n SER 5 N -0.52 -7.11 -1.61 1.61 2.88 -1.26 -4.89 113.62 102.73 2d8r n SER 5 Ca 0.00 0.99 -0.07 0.00 -1.33 0.00 0.00 58.87 58.46 2d8r n SER 5 Cb 0.00 -3.61 0.03 0.00 -0.75 0.00 0.00 64.21 59.88 2d8r n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d8r n SER 6 N -0.80 -3.03 -4.55 -3.46 7.64 -1.26 -5.00 113.62 103.16 2d8r n SER 6 Ca 0.00 -0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.27 2d8r n SER 6 Cb 0.00 -2.02 -0.07 0.00 -1.01 0.00 0.00 64.21 61.12 2d8r n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d8r s GLY 7 N -3.21 1.73 0.04 0.23 0.00 -1.26 -5.04 107.32 99.80 2d8r s GLY 7 Ca 0.14 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.91 2d8r s GLY 7 CO 0.24 1.53 -0.07 -3.16 0.00 0.00 0.00 173.10 171.64 2d8r s MET 8 N 2.79 0.47 -1.08 2.90 0.00 -1.26 -5.07 119.30 118.05 2d8r s MET 8 Ca 0.24 -0.72 -0.23 0.00 0.00 0.00 0.00 55.69 54.99 2d8r s MET 8 Cb -0.14 -0.19 -0.11 0.00 0.00 0.00 0.00 34.83 34.39 2d8r s MET 8 CO 0.17 0.02 1.93 -0.35 0.00 0.00 0.00 175.02 176.79 2d8r n PRO 9 N 1.50 1.57 -2.72 3.16 -0.04 -1.26 -4.90 135.00 132.30 2d8r n PRO 9 Ca -0.23 -2.32 -0.42 0.00 -0.04 0.00 0.00 63.50 60.49 2d8r n PRO 9 Cb 0.55 -3.54 -0.03 0.00 -0.04 0.00 0.00 33.50 30.43 2d8r n PRO 9 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2d8r s THR 10 N 9.67 4.09 1.07 0.52 -4.23 -1.26 -5.02 115.64 120.48 2d8r s THR 10 Ca 0.66 0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 61.18 2d8r s THR 10 Cb 0.03 -4.74 0.15 0.00 1.34 0.00 0.00 72.50 69.28 2d8r s THR 10 CO 0.14 -1.52 0.58 -3.20 -0.54 0.00 0.00 174.62 170.07 2d8r n ASN 11 N 8.32 -1.68 -4.69 3.99 4.05 -1.26 -4.69 115.26 119.29 2d8r n ASN 11 Ca 0.01 0.05 -0.35 0.00 0.45 0.00 0.00 54.58 54.74 2d8r n ASN 11 Cb 0.47 -1.19 -0.09 0.00 1.23 0.00 0.00 39.78 40.21 2d8r n ASN 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2d8r h ALA 13 N 5.83 0.79 -2.02 0.00 0.00 -1.57 -3.46 119.26 118.82 2d8r h ALA 13 Ca -0.45 -0.43 -0.56 0.00 0.00 0.00 0.00 54.91 53.47 2d8r h ALA 13 Cb 1.19 -0.12 0.22 0.00 0.00 0.00 0.00 17.79 19.08 2d8r h ALA 13 CO 0.62 0.65 -1.57 0.00 0.00 0.00 0.00 179.25 178.95 2d8r n ALA 14 N -2.51 -4.59 -2.87 0.00 0.00 -1.26 -4.94 120.51 104.33 2d8r n ALA 14 Ca -0.01 -0.50 -0.34 0.00 0.00 0.00 0.00 53.44 52.59 2d8r n ALA 14 Cb 0.51 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.01 3.92 -1.56 0.00 0.00 -1.26 -4.33 121.76 116.53 2d8r s ALA 15 Ca 0.46 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2d8r s ALA 15 Cb -0.27 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2d8r s ALA 15 CO 0.77 0.71 0.00 0.41 0.00 0.00 0.00 175.76 177.65 2d8r n GLY 16 N 1.10 -0.18 3.87 0.00 0.00 -1.26 -4.90 105.19 103.82 2d8r n GLY 16 Ca -0.12 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.02 3.92 -2.48 0.00 0.00 -1.26 -5.05 120.51 114.63 2d8r n ALA 18 Ca -0.08 -3.66 -0.32 0.00 0.00 0.00 0.00 53.44 49.37 2d8r n ALA 18 Cb 0.57 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 19.09 2d8r n ALA 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2d8r s THR 19 N -3.96 2.78 0.19 0.00 2.01 -1.26 -4.93 115.64 110.47 2d8r s THR 19 Ca 0.37 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2d8r s THR 19 Cb 0.42 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.86 2d8r s THR 19 CO -0.06 0.58 0.00 0.35 -0.69 0.00 0.00 174.62 174.80 2d8r n THR 20 N 2.44 0.00 0.00 -0.82 -2.24 -1.26 -3.84 114.28 108.56 2d8r n THR 20 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2d8r n THR 20 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.95 0.00 0.00 4.78 9.36 -1.26 -4.27 117.16 122.82 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 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 0.00 0.00 0.08 2.98 3.02 -1.26 -5.09 115.26 114.99 2d8r n ASN 22 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2d8r n ASN 22 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.23 0.00 0.00 3.52 5.02 -1.26 -4.93 118.16 120.28 2d8r n LYS 23 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2d8r n LYS 23 Cb 0.00 0.00 0.49 0.00 -0.02 0.00 0.00 35.03 35.50 2d8r n LYS 23 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2d8r n HIS 24 N -2.93 0.00 -1.58 2.13 8.25 -1.26 -4.86 115.22 114.97 2d8r n HIS 24 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 2d8r n HIS 24 Cb 0.00 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 30.85 2d8r n HIS 24 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2d8r n ILE 25 N -1.08 0.35 -0.85 1.59 2.08 -1.26 -4.82 119.36 115.37 2d8r n ILE 25 Ca 0.11 -0.41 0.08 0.00 0.56 0.00 0.00 62.75 63.09 2d8r n ILE 25 Cb 0.31 -2.42 0.37 0.00 -0.75 0.00 0.00 39.64 37.16 2d8r n ILE 25 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2d8r n ASN 26 N 11.13 5.27 -4.76 4.38 0.23 -1.26 -4.94 115.26 125.30 2d8r n ASN 26 Ca 0.31 -2.84 -0.39 0.00 -0.53 0.00 0.00 54.58 51.13 2d8r n ASN 26 Cb 0.41 -0.64 0.02 0.00 -2.08 0.00 0.00 39.78 37.49 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2d8r s ILE 27 N -2.57 2.28 -0.12 1.53 1.01 -1.26 -4.85 121.20 117.22 2d8r s ILE 27 Ca 0.52 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 61.34 2d8r s ILE 27 Cb 0.39 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2d8r s ILE 27 CO 0.17 0.02 0.10 -0.94 0.00 0.00 0.00 174.94 174.28 2d8r s SER 28 N -0.81 6.05 -0.47 3.58 1.04 -1.26 -4.89 113.70 116.93 2d8r s SER 28 Ca 0.65 0.36 -0.23 0.00 0.48 0.00 0.00 55.95 57.21 2d8r s SER 28 Cb -0.40 -1.91 0.03 0.00 0.10 0.00 0.00 66.02 63.84 2d8r s SER 28 CO 0.49 0.38 0.80 0.72 0.98 0.00 0.00 173.24 176.61 2d8r s PHE 29 N -0.88 2.96 -0.34 5.02 -0.71 -1.26 -3.88 117.98 118.89 2d8r s PHE 29 Ca 0.14 0.06 -0.01 0.00 -1.04 0.00 0.00 56.93 56.07 2d8r s PHE 29 Cb -0.12 -3.72 0.08 0.00 -1.21 0.00 0.00 43.02 38.05 2d8r s PHE 29 CO 0.03 -1.06 0.07 -1.01 -1.34 0.00 0.00 175.22 171.92 2d8r s HIS 30 N 3.34 3.45 0.55 3.49 3.76 -1.22 -4.98 115.29 123.67 2d8r s HIS 30 Ca 0.28 -2.23 -0.08 0.00 -0.15 0.00 0.00 55.06 52.88 2d8r s HIS 30 Cb -0.13 -2.60 0.13 0.00 1.11 0.00 0.00 32.58 31.09 2d8r s HIS 30 CO 0.21 -0.88 0.29 2.89 -0.85 0.00 0.00 174.74 176.39 2d8r n ARG 31 N 4.56 -1.82 -2.33 1.40 0.00 -1.26 -2.83 116.66 114.38 2d8r n ARG 31 Ca -0.07 -0.48 -0.32 0.00 -0.00 0.00 0.00 57.85 56.98 2d8r n ARG 31 Cb 0.42 -0.76 -0.03 0.00 -0.00 0.00 0.00 32.46 32.10 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 -1.33 3.34 0.23 2.89 0.40 -1.22 -4.75 117.98 117.53 2d8r s PHE 32 Ca 0.22 1.48 -0.30 0.00 -0.60 0.00 0.00 56.93 57.74 2d8r s PHE 32 Cb -0.04 -2.85 -0.09 0.00 0.51 0.00 0.00 43.02 40.55 2d8r s PHE 32 CO 0.18 -0.54 1.28 -1.25 0.70 0.00 0.00 175.22 175.60 2d8r s PRO 33 N -4.03 4.41 0.07 0.24 0.04 -1.26 -4.91 135.00 129.56 2d8r s PRO 33 Ca 0.60 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.86 2d8r s PRO 33 Cb -0.11 -3.18 0.73 0.00 0.04 0.00 0.00 34.50 31.98 2d8r s PRO 33 CO 0.32 -0.19 1.54 1.28 0.04 0.00 0.00 177.00 179.99 2d8r n LEU 34 N 2.20 0.18 -4.80 -3.56 7.99 -1.26 -3.97 117.00 113.78 2d8r n LEU 34 Ca 0.04 0.54 -0.36 0.00 -0.01 0.00 0.00 56.01 56.22 2d8r n LEU 34 Cb 0.43 -0.52 -0.06 0.00 -0.11 0.00 0.00 43.42 43.16 2d8r n LEU 34 CO 0.58 -0.33 0.51 -0.62 -1.51 0.00 0.00 177.39 176.02 2d8r s ASP 35 N -3.34 7.17 0.21 -1.43 2.15 -1.26 -4.94 116.67 115.23 2d8r s ASP 35 Ca 0.06 1.59 -0.02 0.00 0.43 0.00 0.00 52.55 54.61 2d8r s ASP 35 Cb 0.10 -2.48 0.19 0.00 -0.30 0.00 0.00 42.92 40.42 2d8r s ASP 35 CO 0.31 -0.01 1.57 1.55 -0.17 0.00 0.00 175.17 178.42 2d8r h PRO 36 N 3.29 0.58 -0.51 4.34 0.13 -1.98 0.47 132.00 138.33 2d8r h PRO 36 Ca -0.47 -0.31 0.02 0.00 -0.87 0.00 0.00 66.00 64.37 2d8r h PRO 36 Cb 1.19 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2d8r h PRO 36 CO 0.65 0.90 0.32 0.87 -0.23 0.00 0.00 178.00 180.51 2d8r h LYS 37 N 0.48 0.62 0.02 0.86 6.56 -1.96 -2.73 116.57 120.41 2d8r h LYS 37 Ca 0.04 -0.04 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 2d8r h LYS 37 Cb 0.94 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.44 2d8r h LYS 37 CO 0.08 0.41 -0.88 0.00 -2.06 0.00 0.00 179.45 177.00 2d8r h ARG 38 N 0.63 0.03 -0.86 3.15 2.47 -1.88 -3.26 114.38 114.67 2d8r h ARG 38 Ca 0.20 -0.05 0.11 0.00 -1.26 0.00 0.00 59.98 58.97 2d8r h ARG 38 Cb -0.01 0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 28.20 2d8r h ARG 38 CO -0.07 1.03 -0.41 -2.13 0.56 0.00 0.00 179.97 178.94 2d8r n ARG 39 N -4.42 -0.28 -0.27 0.04 0.63 0.16 0.12 116.66 112.65 2d8r n ARG 39 Ca -0.24 1.31 -0.05 0.00 -0.92 0.00 0.00 57.85 57.95 2d8r n ARG 39 Cb 0.65 -1.93 0.10 0.00 0.45 0.00 0.00 32.46 31.72 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 1.13 0.67 -0.14 1.57 -1.67 -2.85 116.57 115.29 2d8r h LYS 40 Ca 0.22 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2d8r h LYS 40 Cb 0.44 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2d8r h LYS 40 CO -0.83 0.91 -0.40 0.93 -0.57 0.00 0.00 179.45 179.49 2d8r h GLU 41 N 1.11 -0.97 -0.75 3.15 4.39 0.93 0.59 114.58 123.03 2d8r h GLU 41 Ca 0.26 0.07 0.17 0.00 0.34 0.00 0.00 59.36 60.20 2d8r h GLU 41 Cb 0.19 0.22 -0.12 0.00 -0.10 0.00 0.00 28.75 28.93 2d8r h GLU 41 CO -0.02 -0.64 0.08 -1.49 -1.16 0.00 0.00 179.01 175.77 2d8r h TRP 42 N -1.00 0.08 -0.12 4.33 4.06 -0.46 1.08 115.95 123.92 2d8r h TRP 42 Ca -0.09 0.05 -0.16 0.00 2.06 0.00 0.00 58.89 60.76 2d8r h TRP 42 Cb 0.81 0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 2d8r h TRP 42 CO -0.09 -0.19 -0.60 0.28 -3.56 0.00 0.00 178.44 174.28 2d8r h VAL 43 N 0.16 1.36 0.00 1.49 2.07 -1.26 0.14 116.25 120.20 2d8r h VAL 43 Ca 0.42 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2d8r h VAL 43 Cb 0.76 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2d8r h VAL 43 CO -0.61 0.58 0.00 -0.09 0.02 0.00 0.00 177.57 177.47 2d8r h ARG 44 N 0.29 0.00 0.04 1.57 9.65 0.33 -3.24 114.38 123.02 2d8r h ARG 44 Ca -0.01 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.52 2d8r h ARG 44 Cb 1.13 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.67 2d8r h ARG 44 CO 0.10 0.00 -1.98 1.28 2.80 0.00 0.00 179.97 182.17 2d8r n LEU 45 N -3.08 2.36 0.22 3.80 4.77 0.34 -4.11 117.00 121.29 2d8r n LEU 45 Ca 0.03 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 2d8r n LEU 45 Cb 0.43 -0.98 0.57 0.00 -2.33 0.00 0.00 43.42 41.11 2d8r n LEU 45 CO 0.31 0.65 0.91 1.62 -1.33 0.00 0.00 177.39 179.56 2d8r h VAL 46 N -0.45 0.00 -5.87 4.08 3.04 -0.80 -3.46 116.25 112.79 2d8r h VAL 46 Ca -0.48 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.02 2d8r h VAL 46 Cb 1.72 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2d8r h VAL 46 CO -0.13 0.00 -0.59 0.54 -1.01 0.00 0.00 177.57 176.39 2d8r n ARG 47 N -2.36 -1.74 -2.98 4.17 5.12 -1.22 -3.98 116.66 113.66 2d8r n ARG 47 Ca -0.01 1.47 -0.15 0.00 -1.93 0.00 0.00 57.85 57.22 2d8r n ARG 47 Cb 0.27 -4.30 -0.02 0.00 -1.16 0.00 0.00 32.46 27.26 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 -1.35 0.63 -0.03 5.56 1.74 -1.26 -4.82 116.66 117.13 2d8r n ARG 48 Ca -0.06 -2.45 0.00 0.00 -0.77 0.00 0.00 57.85 54.57 2d8r n ARG 48 Cb 0.57 -1.42 -0.00 0.00 -1.02 0.00 0.00 32.46 30.59 2d8r n ARG 48 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2d8r n LYS 49 N 1.98 -0.06 -0.29 5.56 5.02 -1.26 -3.10 118.16 126.00 2d8r n LYS 49 Ca 0.17 0.04 -0.03 0.00 -2.02 0.00 0.00 58.31 56.48 2d8r n LYS 49 Cb 0.57 -0.08 0.08 0.00 -0.02 0.00 0.00 35.03 35.57 2d8r n LYS 49 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2d8r n ASN 50 N -3.60 2.78 -4.39 4.39 5.15 -1.26 -4.93 115.26 113.40 2d8r n ASN 50 Ca 0.00 -2.35 -0.33 0.00 -0.60 0.00 0.00 54.58 51.31 2d8r n ASN 50 Cb 0.01 -0.57 0.14 0.00 -0.53 0.00 0.00 39.78 38.83 2d8r n ASN 50 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2d8r n PHE 51 N 0.11 -1.33 -4.16 1.20 1.16 -1.18 -5.03 117.46 108.23 2d8r n PHE 51 Ca 0.12 0.20 -0.15 0.00 -1.87 0.00 0.00 57.45 55.75 2d8r n PHE 51 Cb 0.67 -1.74 -0.13 0.00 -1.61 0.00 0.00 39.48 36.68 2d8r n PHE 51 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2d8r s VAL 52 N -2.37 0.61 -0.35 1.97 1.01 -1.26 -4.99 120.40 115.03 2d8r s VAL 52 Ca 0.57 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 2d8r s VAL 52 Cb -0.19 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2d8r s VAL 52 CO 0.67 -0.12 1.70 -2.16 0.00 0.00 0.00 175.10 175.19 2d8r s PRO 53 N -0.94 3.41 0.00 2.72 0.04 -1.26 -4.76 135.00 134.21 2d8r s PRO 53 Ca -0.03 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2d8r s PRO 53 Cb -0.07 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.32 2d8r s PRO 53 CO 0.00 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.69 2d8r n GLY 54 N 5.33 0.00 3.62 0.56 0.00 -1.26 -5.06 105.19 108.38 2d8r n GLY 54 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 2d8r n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8r s LYS 55 N -1.62 0.33 -1.29 1.61 1.02 -1.26 -4.94 119.74 113.59 2d8r s LYS 55 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.22 2d8r s LYS 55 Cb 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 2d8r s LYS 55 CO 0.00 -0.07 0.00 0.72 -0.92 0.00 0.00 175.35 175.08 2d8r n HIS 56 N 1.31 0.00 -3.06 3.18 8.25 -1.26 -4.93 115.22 118.71 2d8r n HIS 56 Ca -0.09 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.93 2d8r n HIS 56 Cb 0.57 -2.68 -0.05 0.00 1.12 0.00 0.00 29.99 28.95 2d8r n HIS 56 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2d8r s THR 57 N -2.14 4.72 0.09 1.59 -4.23 -1.26 -4.64 115.64 109.76 2d8r s THR 57 Ca 0.00 -0.68 -0.06 0.00 -1.18 0.00 0.00 61.69 59.77 2d8r s THR 57 Cb 0.00 -4.48 -0.02 0.00 1.34 0.00 0.00 72.50 69.35 2d8r s THR 57 CO 0.00 -1.10 0.12 0.72 -0.54 0.00 0.00 174.62 173.82 2d8r s PHE 58 N 2.99 0.34 0.03 3.99 -0.12 -1.26 -3.40 117.98 120.54 2d8r s PHE 58 Ca 0.15 -0.80 0.05 0.00 -0.05 0.00 0.00 56.93 56.28 2d8r s PHE 58 Cb -0.21 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 41.97 2d8r s PHE 58 CO 0.09 -0.51 -0.15 -0.51 -0.05 0.00 0.00 175.22 174.09 2d8r s LEU 59 N -2.90 2.14 0.62 -1.99 1.43 -1.13 -1.63 118.68 115.22 2d8r s LEU 59 Ca 0.08 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 2d8r s LEU 59 Cb 0.06 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 2d8r s LEU 59 CO -0.09 0.07 1.09 0.00 0.23 0.00 0.00 176.35 177.66 2d8r n SER 61 N -2.16 0.00 0.06 0.00 2.88 -1.25 -2.73 113.62 110.41 2d8r n SER 61 Ca 0.10 -1.11 -0.02 0.00 -1.33 0.00 0.00 58.87 56.51 2d8r n SER 61 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 2d8r n SER 61 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2d8r h LYS 62 N 0.00 0.00 0.00 -1.46 1.57 -1.94 -3.28 116.57 111.46 2d8r h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d8r h LYS 62 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2d8r h LYS 62 CO 0.00 0.46 -0.18 0.72 -0.57 0.00 0.00 179.45 179.88 2d8r n HIS 63 N -3.06 0.28 -3.98 -1.35 8.25 -1.11 -4.83 115.22 109.43 2d8r n HIS 63 Ca -0.06 0.08 -0.32 0.00 -0.26 0.00 0.00 57.72 57.15 2d8r n HIS 63 Cb 0.86 -0.57 -0.05 0.00 1.12 0.00 0.00 29.99 31.35 2d8r n HIS 63 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2d8r s PHE 64 N -3.04 3.43 -1.48 4.41 0.40 -1.24 -3.76 117.98 116.70 2d8r s PHE 64 Ca 0.12 0.26 0.09 0.00 -0.60 0.00 0.00 56.93 56.80 2d8r s PHE 64 Cb 0.17 -1.77 0.47 0.00 0.51 0.00 0.00 43.02 42.40 2d8r s PHE 64 CO 0.60 0.60 1.16 0.39 0.70 0.00 0.00 175.22 178.67 2d8r n GLU 65 N 0.81 0.15 0.00 0.44 1.02 -1.26 -4.83 120.64 116.96 2d8r n GLU 65 Ca -0.10 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2d8r n GLU 65 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 2d8r n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d8r n ALA 66 N -1.26 0.00 0.20 0.62 0.00 -1.26 -4.56 120.51 114.25 2d8r n ALA 66 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 2d8r n ALA 66 Cb 0.07 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.02 0.00 0.02 -1.99 0.39 113.55 111.95 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 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2d8r n PHE 69 N -0.64 -3.57 -2.62 0.00 3.01 0.14 -2.36 117.46 111.41 2d8r n PHE 69 Ca 0.18 -0.97 -0.39 0.00 1.01 0.00 0.00 57.45 57.28 2d8r n PHE 69 Cb 0.13 -0.59 0.01 0.00 -0.01 0.00 0.00 39.48 39.02 2d8r n PHE 69 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2d8r n ASP 70 N -3.27 6.92 -0.05 4.37 -0.08 0.60 -4.58 116.55 120.46 2d8r n ASP 70 Ca 0.11 -3.70 -0.12 0.00 -1.51 0.00 0.00 54.79 49.56 2d8r n ASP 70 Cb 0.39 -1.06 -0.14 0.00 2.34 0.00 0.00 41.12 42.65 2d8r n ASP 70 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d8r n LEU 71 N -0.13 1.20 -0.38 -2.67 -0.00 -1.25 -3.68 117.00 110.08 2d8r n LEU 71 Ca 0.45 0.18 0.35 0.00 -0.00 0.00 0.00 56.01 56.99 2d8r n LEU 71 Cb 0.28 -0.10 0.54 0.00 -0.00 0.00 0.00 43.42 44.14 2d8r n LEU 71 CO 0.49 0.58 1.24 1.07 -0.00 0.00 0.00 177.39 180.76 2d8r n THR 72 N -3.06 0.00 -2.60 1.47 5.66 -1.26 0.62 114.28 115.11 2d8r n THR 72 Ca -0.28 1.24 -0.22 0.00 -3.05 0.00 0.00 64.05 61.73 2d8r n THR 72 Cb 1.08 -2.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.71 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 -1.72 4.70 0.00 1.09 0.00 -1.26 -5.09 105.19 102.90 2d8r n GLY 73 Ca 0.29 -2.34 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.32 0.00 0.00 1.61 -0.06 0.20 -5.00 117.38 113.82 2d8r n GLN 74 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.30 2d8r n GLN 74 Cb 0.67 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.85 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 -2.10 0.00 -2.81 1.69 5.66 -1.26 -3.99 114.28 111.47 2d8r n THR 75 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 2d8r n THR 75 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 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 0.00 0.55 -0.20 1.09 3.52 -1.24 -3.94 118.95 118.73 2d8r s ARG 76 Ca 0.00 -0.43 -0.06 0.00 -0.13 0.00 0.00 55.73 55.11 2d8r s ARG 76 Cb 0.00 0.00 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 2d8r s ARG 76 CO 0.00 -0.72 0.03 1.03 -0.81 0.00 0.00 175.30 174.84 2d8r s ARG 77 N 1.30 3.77 -0.25 5.12 0.52 -1.24 -4.66 118.95 123.51 2d8r s ARG 77 Ca 0.22 -0.44 -0.34 0.00 -0.52 0.00 0.00 55.73 54.64 2d8r s ARG 77 Cb 0.04 -3.16 -0.11 0.00 0.52 0.00 0.00 34.95 32.25 2d8r s ARG 77 CO -0.09 0.11 2.06 -0.11 0.02 0.00 0.00 175.30 177.29 2d8r n LEU 78 N 3.99 2.68 -4.75 2.53 -0.00 -1.26 0.22 117.00 120.41 2d8r n LEU 78 Ca -0.17 0.61 -0.41 0.00 -0.00 0.00 0.00 56.01 56.04 2d8r n LEU 78 Cb 0.52 -1.32 -0.01 0.00 -0.00 0.00 0.00 43.42 42.61 2d8r n LEU 78 CO 0.33 -0.51 1.22 -0.54 -0.00 0.00 0.00 177.39 177.89 2d8r s LYS 79 N 5.38 4.13 0.00 1.96 1.02 -1.00 -4.84 119.74 126.39 2d8r s LYS 79 Ca 1.03 2.55 0.07 0.00 0.02 0.00 0.00 55.97 59.64 2d8r s LYS 79 Cb -0.76 -3.02 0.36 0.00 -0.52 0.00 0.00 37.83 33.88 2d8r s LYS 79 CO 0.50 -0.60 1.12 -1.33 -0.92 0.00 0.00 175.35 174.12 2d8r n MET 80 N 1.98 0.08 -0.51 1.68 2.81 -1.26 -1.12 117.12 120.78 2d8r n MET 80 Ca 0.07 0.25 0.08 0.00 -1.81 0.00 0.00 57.70 56.29 2d8r n MET 80 Cb 0.38 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.67 2d8r n MET 80 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2d8r n ASP 81 N -1.33 4.09 -4.99 7.83 2.03 -1.26 -4.70 116.55 118.22 2d8r n ASP 81 Ca 0.03 -3.03 -0.18 0.00 0.52 0.00 0.00 54.79 52.14 2d8r n ASP 81 Cb 0.06 -0.57 0.01 0.00 -0.72 0.00 0.00 41.12 39.91 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d8r s ALA 82 N -2.84 4.48 -0.02 -1.67 0.00 -0.28 -5.05 121.76 116.39 2d8r s ALA 82 Ca 0.44 -1.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 2d8r s ALA 82 Cb 0.35 -1.51 0.07 0.00 0.00 0.00 0.00 23.12 22.03 2d8r s ALA 82 CO 0.10 -0.33 0.68 0.14 0.00 0.00 0.00 175.76 176.34 2d8r s VAL 83 N -2.41 0.00 -0.84 0.00 -7.23 -1.26 -4.88 120.40 103.78 2d8r s VAL 83 Ca 0.54 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.46 2d8r s VAL 83 Cb -0.08 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2d8r s VAL 83 CO 0.33 0.00 1.93 -2.16 -0.31 0.00 0.00 175.10 174.88 2d8r s PRO 84 N -1.60 2.57 0.04 4.82 0.04 -1.26 -4.77 135.00 134.85 2d8r s PRO 84 Ca -0.09 -0.09 0.14 0.00 0.04 0.00 0.00 61.00 61.00 2d8r s PRO 84 Cb -0.00 -4.92 0.60 0.00 0.04 0.00 0.00 34.50 30.22 2d8r s PRO 84 CO 0.06 -3.23 1.44 0.25 0.04 0.00 0.00 177.00 175.56 2d8r n THR 85 N 7.73 1.12 -4.03 1.26 -2.24 -1.26 -4.77 114.28 112.08 2d8r n THR 85 Ca 0.36 0.29 -0.01 0.00 -2.27 0.00 0.00 64.05 62.42 2d8r n THR 85 Cb 0.48 -1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2d8r n THR 85 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2d8r n ILE 86 N -1.62 0.00 0.00 2.28 -0.00 -1.25 -5.03 119.36 113.74 2d8r n ILE 86 Ca 0.03 -0.14 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 2d8r n ILE 86 Cb 0.15 0.05 0.00 0.00 -0.00 0.00 0.00 39.64 39.85 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 -0.05 0.00 -3.94 4.28 3.72 -1.26 -4.92 117.46 115.28 2d8r n PHE 87 Ca -0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 2d8r n PHE 87 Cb 0.04 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 2d8r n PHE 87 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2d8r n ASP 88 N 0.00 -0.46 -0.24 4.37 8.00 -1.26 -4.82 116.55 122.14 2d8r n ASP 88 Ca 0.00 -1.00 0.06 0.00 0.71 0.00 0.00 54.79 54.56 2d8r n ASP 88 Cb 0.00 -3.09 0.28 0.00 -0.02 0.00 0.00 41.12 38.29 2d8r n ASP 88 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2d8r n PHE 89 N -4.39 0.13 -2.82 1.24 1.16 -1.26 -4.96 117.46 106.56 2d8r n PHE 89 Ca -0.31 -0.07 -0.26 0.00 -1.87 0.00 0.00 57.45 54.95 2d8r n PHE 89 Cb 0.68 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.58 2d8r n PHE 89 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2d8r n THR 91 N 0.01 0.00 0.02 0.00 -1.04 -1.26 -4.68 114.28 107.32 2d8r n THR 91 Ca -0.06 1.07 0.00 0.00 -2.04 0.00 0.00 64.05 63.02 2d8r n THR 91 Cb 0.49 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 2d8r n THR 91 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2d8r n HIS 92 N -2.32 -0.22 0.00 -1.42 8.25 -1.26 -5.05 115.22 113.19 2d8r n HIS 92 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2d8r n HIS 92 Cb 0.00 0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.39 2d8r n HIS 92 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2d8r n ILE 93 N -2.65 0.00 0.00 1.59 -5.35 -1.26 -5.04 119.36 106.65 2d8r n ILE 93 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2d8r n ILE 93 Cb 0.00 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.69 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 -1.88 0.00 -4.58 7.28 7.64 -1.26 -5.11 113.62 115.71 2d8r n SER 94 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2d8r n SER 94 Cb 0.04 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.40 -1.03 0.00 0.23 0.00 -1.26 -5.02 105.19 97.70 2d8r n GLY 95 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.03 0.11 -0.07 1.61 -0.04 -1.26 -4.70 135.00 126.62 2d8r n PRO 96 Ca 0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 2d8r n PRO 96 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 2d8r n PRO 96 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2d8r h SER 97 N -0.45 -0.00 0.00 3.54 0.87 -2.03 -3.46 113.55 112.02 2d8r h SER 97 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 2d8r h SER 97 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2d8r h SER 97 CO 0.00 0.96 0.00 -1.54 -0.53 0.00 0.00 176.83 175.72 2d8r n SER 98 N -4.62 0.00 0.00 6.23 3.41 -1.26 -5.16 113.62 112.22 2d8r n SER 98 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2d8r n SER 98 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2d8r n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49