#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 -0.06 1.61 3.41 -1.26 -5.02 113.62 112.30 2d8r n SER 2 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 2d8r n SER 2 Cb 0.00 0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2d8r n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d8r n SER 3 N -2.20 1.41 0.00 4.04 7.64 -1.26 -5.12 113.62 118.13 2d8r n SER 3 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2d8r n SER 3 Cb 0.00 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 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 1.59 4.73 0.26 0.23 0.00 -1.26 -5.01 105.19 105.73 2d8r n GLY 4 Ca -0.07 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 1.51 -4.82 1.61 2.88 -1.26 -5.01 113.62 108.53 2d8r n SER 5 Ca 0.00 -1.25 -0.35 0.00 -1.33 0.00 0.00 58.87 55.93 2d8r n SER 5 Cb 0.00 0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.45 2d8r n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8r s SER 6 N -0.63 7.03 0.17 -3.46 0.01 -1.26 -5.08 113.70 110.49 2d8r s SER 6 Ca 0.08 1.45 0.02 0.00 1.31 0.00 0.00 55.95 58.81 2d8r s SER 6 Cb 0.06 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 2d8r s SER 6 CO 0.09 -0.04 0.01 -0.83 0.41 0.00 0.00 173.24 172.88 2d8r s GLY 7 N -1.78 1.22 0.55 3.44 0.00 -1.26 -5.10 107.32 104.38 2d8r s GLY 7 Ca 0.47 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.60 2d8r s GLY 7 CO 0.20 -1.52 0.00 1.03 0.00 0.00 0.00 173.10 172.81 2d8r n MET 8 N -0.24 -2.96 -2.06 2.90 2.81 -1.26 -4.40 117.12 111.92 2d8r n MET 8 Ca -0.06 2.42 -0.27 0.00 -1.81 0.00 0.00 57.70 57.98 2d8r n MET 8 Cb 0.63 -3.49 -0.05 0.00 -0.71 0.00 0.00 33.22 29.60 2d8r n MET 8 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2d8r s PRO 9 N -4.51 2.55 0.28 0.03 0.04 -1.26 -4.96 135.00 127.17 2d8r s PRO 9 Ca 0.00 -0.50 -0.21 0.00 0.04 0.00 0.00 61.00 60.33 2d8r s PRO 9 Cb 0.00 -5.11 -0.09 0.00 0.04 0.00 0.00 34.50 29.34 2d8r s PRO 9 CO 0.00 -3.52 0.81 0.99 0.04 0.00 0.00 177.00 175.33 2d8r s THR 10 N 10.28 4.46 0.21 1.26 2.01 -1.26 -5.06 115.64 127.53 2d8r s THR 10 Ca 0.70 1.42 -0.06 0.00 0.31 0.00 0.00 61.69 64.06 2d8r s THR 10 Cb -0.05 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.63 2d8r s THR 10 CO 0.02 0.09 0.38 0.59 -0.69 0.00 0.00 174.62 175.02 2d8r n ASN 11 N 0.42 -1.11 -4.61 3.53 3.02 -1.26 -4.87 115.26 110.38 2d8r n ASN 11 Ca 0.01 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.25 2d8r n ASN 11 Cb 0.51 1.88 -0.05 0.00 -0.61 0.00 0.00 39.78 41.51 2d8r n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8r h ALA 13 N 8.15 1.92 -1.10 0.00 0.00 -1.58 -3.41 119.26 123.24 2d8r h ALA 13 Ca -0.24 0.27 -0.78 0.00 0.00 0.00 0.00 54.91 54.15 2d8r h ALA 13 Cb 1.10 0.35 0.05 0.00 0.00 0.00 0.00 17.79 19.29 2d8r h ALA 13 CO 0.88 -0.82 0.16 0.00 0.00 0.00 0.00 179.25 179.48 2d8r n ALA 14 N -2.44 -3.11 -0.43 0.00 0.00 -1.26 -4.72 120.51 108.54 2d8r n ALA 14 Ca 0.34 0.58 0.41 0.00 0.00 0.00 0.00 53.44 54.76 2d8r n ALA 14 Cb 1.13 -1.82 0.74 0.00 0.00 0.00 0.00 19.45 19.50 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 3.39 3.34 -3.00 0.00 0.00 -1.80 -3.40 119.26 117.78 2d8r h ALA 15 Ca -0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2d8r h ALA 15 Cb 1.41 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2d8r h ALA 15 CO 0.69 -1.83 0.00 0.41 0.00 0.00 0.00 179.25 178.52 2d8r n GLY 16 N -1.81 2.57 1.30 0.00 0.00 -1.26 -5.12 105.19 100.87 2d8r n GLY 16 Ca 0.31 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.93 2.58 -2.93 0.00 0.00 -1.26 -4.90 120.51 110.08 2d8r n ALA 18 Ca -0.07 -3.33 -0.31 0.00 0.00 0.00 0.00 53.44 49.72 2d8r n ALA 18 Cb 0.59 -0.79 -0.17 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.83 1.99 0.00 0.00 2.01 -1.26 -5.04 115.64 112.50 2d8r s THR 19 Ca 0.34 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.33 2d8r s THR 19 Cb 0.13 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.94 2d8r s THR 19 CO -0.14 0.55 0.00 0.35 -0.69 0.00 0.00 174.62 174.69 2d8r n THR 20 N 3.17 0.00 0.06 -0.82 -2.24 -1.26 -3.30 114.28 109.89 2d8r n THR 20 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 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 0.00 -0.57 -1.10 4.78 9.36 -1.26 -5.00 117.16 123.37 2d8r n TYR 21 Ca 0.00 0.10 0.14 0.00 3.32 0.00 0.00 57.90 61.46 2d8r n TYR 21 Cb 0.00 0.15 -0.05 0.00 -0.63 0.00 0.00 39.34 38.81 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 -3.36 -6.60 0.00 2.98 3.02 -1.26 -4.61 115.26 105.43 2d8r n ASN 22 Ca 0.00 0.70 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 2d8r n ASN 22 Cb 0.00 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 2d8r n ASN 22 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2d8r n LYS 23 N -3.77 -0.17 0.00 3.52 4.81 -1.26 -4.73 118.16 116.55 2d8r n LYS 23 Ca -0.02 -0.71 0.00 0.00 -0.87 0.00 0.00 58.31 56.71 2d8r n LYS 23 Cb 0.51 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.56 2d8r n LYS 23 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2d8r n HIS 24 N -0.10 0.00 -1.68 5.64 1.44 -1.26 -5.07 115.22 114.18 2d8r n HIS 24 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 2d8r n HIS 24 Cb 0.05 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.15 2d8r n HIS 24 CO 0.00 0.00 0.00 1.51 -2.81 0.00 0.00 176.34 175.04 2d8r n ILE 25 N -1.80 1.70 0.08 0.61 3.06 -1.26 -4.90 119.36 116.85 2d8r n ILE 25 Ca 0.00 -0.42 0.01 0.00 -2.50 0.00 0.00 62.75 59.84 2d8r n ILE 25 Cb 0.30 -1.52 0.02 0.00 0.54 0.00 0.00 39.64 38.98 2d8r n ILE 25 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2d8r n ASN 26 N 1.20 1.42 -4.50 9.51 5.03 -1.26 -4.95 115.26 121.70 2d8r n ASN 26 Ca 0.07 -1.28 -0.47 0.00 0.87 0.00 0.00 54.58 53.77 2d8r n ASN 26 Cb 0.35 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 39.07 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2d8r n ILE 27 N 0.08 1.84 -2.07 2.41 5.41 -1.26 -4.95 119.36 120.82 2d8r n ILE 27 Ca 0.02 -0.46 -0.28 0.00 1.00 0.00 0.00 62.75 63.03 2d8r n ILE 27 Cb 0.11 -0.52 0.06 0.00 -0.71 0.00 0.00 39.64 38.59 2d8r n ILE 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2d8r s SER 28 N -0.69 4.96 -0.30 4.38 0.01 -1.26 -4.99 113.70 115.82 2d8r s SER 28 Ca 0.63 0.74 0.02 0.00 1.31 0.00 0.00 55.95 58.64 2d8r s SER 28 Cb -0.83 -1.42 0.07 0.00 0.21 0.00 0.00 66.02 64.05 2d8r s SER 28 CO 0.57 -1.56 -0.03 -0.36 0.41 0.00 0.00 173.24 172.28 2d8r s PHE 29 N -3.34 3.40 -0.39 2.43 0.40 -1.26 -4.04 117.98 115.18 2d8r s PHE 29 Ca 0.59 -2.38 -0.05 0.00 -0.60 0.00 0.00 56.93 54.49 2d8r s PHE 29 Cb -0.11 -2.29 0.08 0.00 0.51 0.00 0.00 43.02 41.22 2d8r s PHE 29 CO 0.48 -0.88 0.18 -1.01 0.70 0.00 0.00 175.22 174.69 2d8r s HIS 30 N 1.10 3.41 1.31 0.36 3.76 -1.21 -4.98 115.29 119.03 2d8r s HIS 30 Ca -0.02 -1.92 -0.20 0.00 -0.15 0.00 0.00 55.06 52.76 2d8r s HIS 30 Cb -0.20 -2.87 0.32 0.00 1.11 0.00 0.00 32.58 30.94 2d8r s HIS 30 CO -0.05 -0.88 1.01 -0.98 -0.85 0.00 0.00 174.74 172.99 2d8r s ARG 31 N 1.29 -2.03 0.66 1.40 1.70 -1.26 -2.83 118.95 117.87 2d8r s ARG 31 Ca 0.03 0.15 -0.15 0.00 -0.47 0.00 0.00 55.73 55.30 2d8r s ARG 31 Cb -0.22 -1.48 -0.00 0.00 -0.57 0.00 0.00 34.95 32.67 2d8r s ARG 31 CO -0.01 -4.29 1.11 -0.06 -1.08 0.00 0.00 175.30 170.97 2d8r s PHE 32 N -2.57 2.65 0.40 5.89 0.40 -1.26 -4.86 117.98 118.63 2d8r s PHE 32 Ca 0.69 1.55 -0.25 0.00 -0.60 0.00 0.00 56.93 58.32 2d8r s PHE 32 Cb -0.14 -3.15 -0.08 0.00 0.51 0.00 0.00 43.02 40.16 2d8r s PHE 32 CO 0.58 -1.64 1.19 -1.25 0.70 0.00 0.00 175.22 174.79 2d8r s PRO 33 N -4.12 4.05 0.25 0.24 0.04 -1.26 -4.94 135.00 129.26 2d8r s PRO 33 Ca 0.66 1.89 0.26 0.00 0.04 0.00 0.00 61.00 63.85 2d8r s PRO 33 Cb -0.20 -2.69 0.78 0.00 0.04 0.00 0.00 34.50 32.43 2d8r s PRO 33 CO 0.42 -0.34 1.75 -0.07 0.04 0.00 0.00 177.00 178.80 2d8r h LEU 34 N 2.65 0.00 -9.92 -3.56 -0.00 -1.95 -3.37 115.31 99.18 2d8r h LEU 34 Ca -0.49 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 56.92 2d8r h LEU 34 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 2d8r h LEU 34 CO 0.63 0.00 0.31 -0.62 -0.00 0.00 0.00 178.44 178.75 2d8r s ASP 35 N -4.72 7.21 0.33 -0.43 2.15 -1.26 -4.93 116.67 115.01 2d8r s ASP 35 Ca 0.09 1.74 0.12 0.00 0.43 0.00 0.00 52.55 54.93 2d8r s ASP 35 Cb 0.11 -2.55 0.55 0.00 -0.30 0.00 0.00 42.92 40.74 2d8r s ASP 35 CO 0.59 -0.11 1.73 1.55 -0.17 0.00 0.00 175.17 178.75 2d8r h PRO 36 N 2.95 0.00 -0.43 4.34 0.13 -1.98 0.30 132.00 137.31 2d8r h PRO 36 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2d8r h PRO 36 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2d8r h PRO 36 CO 0.64 0.49 0.12 0.87 -0.23 0.00 0.00 178.00 179.89 2d8r h LYS 37 N 0.00 0.68 0.05 0.86 6.56 -1.97 -2.95 116.57 119.80 2d8r h LYS 37 Ca -0.00 -0.15 -0.22 0.00 -1.06 0.00 0.00 60.65 59.22 2d8r h LYS 37 Cb 0.86 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.41 2d8r h LYS 37 CO 0.06 0.67 -1.15 0.00 -2.06 0.00 0.00 179.45 176.98 2d8r h ARG 38 N 0.56 0.12 -0.98 3.15 2.47 -1.91 -3.30 114.38 114.49 2d8r h ARG 38 Ca 0.14 -0.20 0.16 0.00 -1.26 0.00 0.00 59.98 58.81 2d8r h ARG 38 Cb 0.28 0.07 -0.16 0.00 -1.65 0.00 0.00 29.97 28.52 2d8r h ARG 38 CO -0.00 1.09 -0.37 -2.13 0.56 0.00 0.00 179.97 179.12 2d8r n ARG 39 N -4.20 -0.22 0.23 0.04 0.63 0.10 0.23 116.66 113.48 2d8r n ARG 39 Ca -0.25 1.51 0.08 0.00 -0.92 0.00 0.00 57.85 58.27 2d8r n ARG 39 Cb 0.76 -2.24 0.57 0.00 0.45 0.00 0.00 32.46 32.00 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 0.00 0.25 -0.14 1.79 -1.69 -3.06 116.57 113.71 2d8r h LYS 40 Ca 0.35 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.81 2d8r h LYS 40 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2d8r h LYS 40 CO -0.97 0.20 -0.12 0.93 -1.08 0.00 0.00 179.45 178.41 2d8r h GLU 41 N 0.00 -0.32 -0.99 3.15 4.39 0.28 -2.02 114.58 119.07 2d8r h GLU 41 Ca -0.00 0.02 0.30 0.00 0.34 0.00 0.00 59.36 60.02 2d8r h GLU 41 Cb 0.45 0.07 -0.18 0.00 -0.10 0.00 0.00 28.75 28.99 2d8r h GLU 41 CO 0.03 -0.21 0.12 0.91 -1.16 0.00 0.00 179.01 178.70 2d8r n TRP 42 N -3.93 0.74 0.05 4.33 7.02 0.68 0.20 117.44 126.53 2d8r n TRP 42 Ca -0.04 1.19 -0.05 0.00 -1.02 0.00 0.00 57.50 57.58 2d8r n TRP 42 Cb 0.13 -1.31 0.14 0.00 -2.42 0.00 0.00 31.31 27.85 2d8r n TRP 42 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2d8r h VAL 43 N 0.00 1.33 0.00 -0.99 2.07 -1.61 -1.13 116.25 115.91 2d8r h VAL 43 Ca 0.65 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2d8r h VAL 43 Cb 1.44 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2d8r h VAL 43 CO -0.90 0.51 0.00 -0.09 0.02 0.00 0.00 177.57 177.11 2d8r h ARG 44 N 0.30 0.00 0.02 1.57 9.65 0.30 -3.26 114.38 122.96 2d8r h ARG 44 Ca 0.02 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.75 2d8r h ARG 44 Cb 0.95 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.52 2d8r h ARG 44 CO 0.08 0.00 -0.80 -0.07 2.80 0.00 0.00 179.97 181.99 2d8r h LEU 45 N 0.00 0.07 -2.04 3.80 3.38 0.91 -3.32 115.31 118.11 2d8r h LEU 45 Ca 0.00 -0.76 0.03 0.00 0.09 0.00 0.00 57.88 57.24 2d8r h LEU 45 Cb 0.94 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2d8r h LEU 45 CO 0.00 1.32 0.34 1.62 0.09 0.00 0.00 178.44 181.82 2d8r h VAL 46 N -0.88 0.13 -4.60 1.22 3.04 -1.31 -3.47 116.25 110.39 2d8r h VAL 46 Ca -0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2d8r h VAL 46 Cb 1.27 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 2d8r h VAL 46 CO -0.08 0.00 -0.45 0.54 -1.01 0.00 0.00 177.57 176.57 2d8r n ARG 47 N -3.17 -1.93 0.00 4.17 5.12 -1.23 -3.69 116.66 115.93 2d8r n ARG 47 Ca 0.01 1.80 0.00 0.00 -1.93 0.00 0.00 57.85 57.72 2d8r n ARG 47 Cb 0.43 -4.40 0.00 0.00 -1.16 0.00 0.00 32.46 27.33 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 -0.12 0.00 0.00 5.56 1.74 -1.26 -4.60 116.66 117.98 2d8r n ARG 48 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2d8r n ARG 48 Cb 0.24 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.38 2d8r n ARG 48 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2d8r n LYS 49 N -1.42 0.00 -1.02 5.56 4.81 -1.26 -4.43 118.16 120.40 2d8r n LYS 49 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2d8r n LYS 49 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 2d8r n LYS 49 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2d8r n ASN 50 N 1.65 6.63 -3.71 3.14 3.02 -1.26 -4.79 115.26 119.94 2d8r n ASN 50 Ca 0.00 -2.43 -0.10 0.00 -0.03 0.00 0.00 54.58 52.02 2d8r n ASN 50 Cb 0.00 -1.32 -0.04 0.00 -0.61 0.00 0.00 39.78 37.80 2d8r n ASN 50 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2d8r s PHE 51 N 2.46 -0.11 -0.15 3.10 5.36 -1.26 -5.18 117.98 122.19 2d8r s PHE 51 Ca 0.57 -0.23 -0.28 0.00 -0.96 0.00 0.00 56.93 56.03 2d8r s PHE 51 Cb 0.17 0.29 0.07 0.00 -0.34 0.00 0.00 43.02 43.21 2d8r s PHE 51 CO -0.04 -0.80 0.72 0.08 -1.46 0.00 0.00 175.22 173.73 2d8r s VAL 52 N -3.85 0.00 -0.19 3.12 1.01 -1.26 -5.06 120.40 114.17 2d8r s VAL 52 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 2d8r s VAL 52 Cb 0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2d8r s VAL 52 CO -0.07 0.00 1.59 -2.16 0.00 0.00 0.00 175.10 174.46 2d8r s PRO 53 N -0.49 3.91 0.00 2.72 0.04 -1.26 -4.93 135.00 134.98 2d8r s PRO 53 Ca -0.06 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2d8r s PRO 53 Cb -0.02 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2d8r s PRO 53 CO 0.05 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.35 2d8r n GLY 54 N 4.46 -0.10 0.23 0.56 0.00 -1.26 -5.05 105.19 104.03 2d8r n GLY 54 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2d8r n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2d8r n LYS 55 N -1.68 0.00 0.00 1.61 2.85 -1.26 -4.91 118.16 114.76 2d8r n LYS 55 Ca 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.40 2d8r n LYS 55 Cb 0.00 0.00 0.49 0.00 -0.65 0.00 0.00 35.03 34.87 2d8r n LYS 55 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2d8r n HIS 56 N -1.43 0.00 -2.94 5.58 8.25 -1.26 -4.87 115.22 118.56 2d8r n HIS 56 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2d8r n HIS 56 Cb 0.00 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 2d8r n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2d8r s THR 57 N -2.17 4.99 0.25 1.59 2.01 -1.26 -4.65 115.64 116.39 2d8r s THR 57 Ca 0.34 1.63 -0.05 0.00 0.31 0.00 0.00 61.69 63.92 2d8r s THR 57 Cb 0.20 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 2d8r s THR 57 CO 0.40 0.21 0.32 0.72 -0.69 0.00 0.00 174.62 175.58 2d8r s PHE 58 N 0.95 0.92 -0.04 4.92 -0.71 -1.26 -4.46 117.98 118.30 2d8r s PHE 58 Ca 0.42 -1.17 0.03 0.00 -1.04 0.00 0.00 56.93 55.16 2d8r s PHE 58 Cb -0.19 -0.24 0.01 0.00 -1.21 0.00 0.00 43.02 41.39 2d8r s PHE 58 CO 0.21 -0.86 -0.11 -0.51 -1.34 0.00 0.00 175.22 172.60 2d8r s LEU 59 N -3.14 1.72 0.79 -1.99 1.43 -1.13 -1.36 118.68 114.99 2d8r s LEU 59 Ca 0.32 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 2d8r s LEU 59 Cb 0.03 -0.69 0.07 0.00 0.03 0.00 0.00 46.19 45.63 2d8r s LEU 59 CO 0.14 0.06 1.22 0.00 0.23 0.00 0.00 176.35 177.99 2d8r n SER 61 N -3.16 0.72 -0.37 0.00 3.41 -1.26 -4.06 113.62 108.91 2d8r n SER 61 Ca 0.14 0.12 0.04 0.00 -0.26 0.00 0.00 58.87 58.90 2d8r n SER 61 Cb 0.50 0.40 0.19 0.00 -0.26 0.00 0.00 64.21 65.04 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 0.00 1.11 -0.08 4.33 2.10 -1.92 -2.47 116.57 119.64 2d8r h LYS 62 Ca 0.00 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.57 2d8r h LYS 62 Cb 0.83 -0.25 -0.00 0.00 -0.90 0.00 0.00 32.23 31.90 2d8r h LYS 62 CO 0.00 0.73 -0.00 0.45 -2.00 0.00 0.00 179.45 178.63 2d8r h HIS 63 N 1.14 0.16 -2.03 0.07 3.86 -1.98 -3.45 115.15 112.92 2d8r h HIS 63 Ca 0.45 -0.03 -0.46 0.00 -1.16 0.00 0.00 60.37 59.17 2d8r h HIS 63 Cb 0.23 -0.04 0.24 0.00 1.06 0.00 0.00 27.41 28.90 2d8r h HIS 63 CO -0.00 0.41 -1.39 1.19 0.86 0.00 0.00 177.93 178.99 2d8r n PHE 64 N -4.84 -1.41 0.62 2.45 3.01 -0.93 -4.75 117.46 111.61 2d8r n PHE 64 Ca -0.07 0.23 0.12 0.00 1.01 0.00 0.00 57.45 58.75 2d8r n PHE 64 Cb 0.19 -1.52 0.11 0.00 -0.01 0.00 0.00 39.48 38.26 2d8r n PHE 64 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2d8r n GLU 65 N -1.23 0.25 -0.15 -1.08 1.02 -1.26 -4.94 120.64 113.26 2d8r n GLU 65 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2d8r n GLU 65 Cb 0.65 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.79 0.00 1.93 0.62 0.00 -1.26 -4.80 120.51 115.22 2d8r n ALA 66 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.62 2d8r n ALA 66 Cb 0.42 -0.09 0.84 0.00 0.00 0.00 0.00 19.45 20.62 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 0.00 0.19 -0.41 0.00 7.64 -1.26 -2.91 113.62 116.87 2d8r n SER 67 Ca 0.00 -1.12 0.10 0.00 1.01 0.00 0.00 58.87 58.85 2d8r n SER 67 Cb 0.00 -0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.25 3.28 -1.13 0.00 0.40 -1.15 -1.10 117.98 116.03 2d8r s PHE 69 Ca 0.15 1.04 -0.11 0.00 -0.60 0.00 0.00 56.93 57.41 2d8r s PHE 69 Cb 0.16 -3.09 0.23 0.00 0.51 0.00 0.00 43.02 40.83 2d8r s PHE 69 CO 0.51 -1.23 1.22 0.34 0.70 0.00 0.00 175.22 176.76 2d8r s ASP 70 N -4.35 7.19 0.54 1.36 2.15 0.23 -4.81 116.67 118.98 2d8r s ASP 70 Ca 0.58 -3.29 0.35 0.00 0.43 0.00 0.00 52.55 50.62 2d8r s ASP 70 Cb -0.11 -2.29 1.61 0.00 -0.30 0.00 0.00 42.92 41.83 2d8r s ASP 70 CO 0.52 -0.49 2.05 -0.07 -0.17 0.00 0.00 175.17 177.01 2d8r h LEU 71 N 7.95 0.00 -8.96 -1.34 -0.00 -1.88 -3.34 115.31 107.74 2d8r h LEU 71 Ca 0.23 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 57.44 2d8r h LEU 71 Cb 0.88 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.34 2d8r h LEU 71 CO 1.09 0.00 -0.69 0.28 -0.00 0.00 0.00 178.44 179.12 2d8r s THR 72 N -3.76 3.74 0.00 0.22 -1.32 -1.26 -4.70 115.64 108.57 2d8r s THR 72 Ca -0.00 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 2d8r s THR 72 Cb 0.10 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 2d8r s THR 72 CO 0.48 0.55 0.00 0.61 -2.21 0.00 0.00 174.62 174.05 2d8r n GLY 73 N 2.87 2.77 3.48 6.08 0.00 -1.26 -4.97 105.19 114.17 2d8r n GLY 73 Ca -0.18 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.06 2d8r n GLY 73 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2d8r s GLN 74 N 0.00 0.24 0.00 1.61 -2.07 -1.26 -5.15 119.66 113.03 2d8r s GLN 74 Ca 0.00 0.52 0.00 0.00 -1.82 0.00 0.00 55.36 54.06 2d8r s GLN 74 Cb 0.00 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 2d8r s GLN 74 CO 0.00 -0.07 0.00 -2.37 -1.32 0.00 0.00 175.29 171.53 2d8r n THR 75 N 4.25 0.00 -3.97 3.63 5.66 -1.26 -4.42 114.28 118.16 2d8r n THR 75 Ca -0.13 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.54 2d8r n THR 75 Cb 0.55 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.19 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 0.00 2.36 -0.12 1.09 0.52 -1.26 -4.25 118.95 117.29 2d8r s ARG 76 Ca 0.00 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 2d8r s ARG 76 Cb 0.00 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 2d8r s ARG 76 CO 0.00 -0.60 -0.18 1.03 0.02 0.00 0.00 175.30 175.57 2d8r s ARG 77 N 1.19 3.22 -0.15 3.54 0.52 -1.25 -4.80 118.95 121.22 2d8r s ARG 77 Ca -0.07 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.07 2d8r s ARG 77 Cb -0.20 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 2d8r s ARG 77 CO -0.03 0.17 1.63 -1.17 0.02 0.00 0.00 175.30 175.93 2d8r s LEU 78 N 0.41 4.08 0.04 2.53 1.98 -1.26 0.76 118.68 127.22 2d8r s LEU 78 Ca -0.14 1.90 -0.36 0.00 -2.89 0.00 0.00 54.13 52.64 2d8r s LEU 78 Cb -0.17 -3.53 -0.15 0.00 0.66 0.00 0.00 46.19 43.00 2d8r s LEU 78 CO 0.06 -1.11 1.54 0.29 -1.89 0.00 0.00 176.35 175.24 2d8r n LYS 79 N 7.41 1.60 0.00 1.98 5.02 -0.26 -4.79 118.16 129.12 2d8r n LYS 79 Ca 0.18 0.58 0.02 0.00 -2.02 0.00 0.00 58.31 57.07 2d8r n LYS 79 Cb 0.44 -2.29 0.11 0.00 -0.02 0.00 0.00 35.03 33.26 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 3.73 0.04 -0.22 1.97 2.81 -1.26 -0.57 117.12 123.62 2d8r n MET 80 Ca 0.20 0.32 0.06 0.00 -1.81 0.00 0.00 57.70 56.46 2d8r n MET 80 Cb 0.23 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.40 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 -1.38 3.03 -4.92 7.83 8.00 -1.26 -4.63 116.55 123.23 2d8r n ASP 81 Ca 0.02 -2.29 -0.26 0.00 0.71 0.00 0.00 54.79 52.96 2d8r n ASP 81 Cb 0.04 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.52 3.63 0.01 2.24 0.00 0.27 -5.00 121.76 121.39 2d8r s ALA 82 Ca 0.26 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 2d8r s ALA 82 Cb 0.17 -2.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.04 2d8r s ALA 82 CO 0.12 0.04 0.12 0.14 0.00 0.00 0.00 175.76 176.18 2d8r s VAL 83 N -2.28 0.09 -0.83 0.00 -7.23 -1.26 -4.94 120.40 103.95 2d8r s VAL 83 Ca 0.42 -0.76 -0.25 0.00 -1.81 0.00 0.00 61.98 59.58 2d8r s VAL 83 Cb -0.10 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 2d8r s VAL 83 CO 0.35 -0.42 1.92 -2.16 -0.31 0.00 0.00 175.10 174.48 2d8r s PRO 84 N -1.56 2.57 -0.53 4.82 0.04 -1.26 -4.85 135.00 134.23 2d8r s PRO 84 Ca -0.14 -0.05 -0.04 0.00 0.04 0.00 0.00 61.00 60.81 2d8r s PRO 84 Cb -0.07 -4.89 0.04 0.00 0.04 0.00 0.00 34.50 29.63 2d8r s PRO 84 CO 0.01 -3.21 2.80 0.25 0.04 0.00 0.00 177.00 176.88 2d8r n THR 85 N 7.70 3.53 0.00 1.26 -2.24 -1.26 -4.57 114.28 118.70 2d8r n THR 85 Ca 0.35 -3.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.09 2d8r n THR 85 Cb 0.48 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 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 1.11 0.00 -3.66 2.28 -0.00 -1.26 -5.01 119.36 112.83 2d8r n ILE 86 Ca 0.50 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 63.04 2d8r n ILE 86 Cb 0.54 0.00 0.04 0.00 -0.00 0.00 0.00 39.64 40.23 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 0.00 -2.00 -1.34 4.28 3.72 -1.26 -4.68 117.46 116.18 2d8r n PHE 87 Ca 0.00 0.87 -0.41 0.00 -0.05 0.00 0.00 57.45 57.86 2d8r n PHE 87 Cb 0.00 -4.52 -0.13 0.00 -0.94 0.00 0.00 39.48 33.89 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 -3.06 0.34 -2.79 4.37 9.92 -1.26 -4.76 116.55 119.31 2d8r n ASP 88 Ca -0.28 0.25 -0.02 0.00 -0.53 0.00 0.00 54.79 54.21 2d8r n ASP 88 Cb 0.67 -0.85 0.02 0.00 -0.64 0.00 0.00 41.12 40.32 2d8r n ASP 88 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2d8r s PHE 89 N 7.81 -0.90 0.04 1.24 5.36 -1.26 -5.04 117.98 125.24 2d8r s PHE 89 Ca 1.23 -0.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 2d8r s PHE 89 Cb -1.20 0.17 0.00 0.00 -0.34 0.00 0.00 43.02 41.65 2d8r s PHE 89 CO 0.48 -0.67 0.00 0.00 -1.46 0.00 0.00 175.22 173.57 2d8r s THR 91 N -2.00 5.18 -0.39 0.00 -4.23 -1.26 -4.96 115.64 107.98 2d8r s THR 91 Ca 0.00 0.87 0.11 0.00 -1.18 0.00 0.00 61.69 61.49 2d8r s THR 91 Cb 0.00 -3.79 0.38 0.00 1.34 0.00 0.00 72.50 70.43 2d8r s THR 91 CO 0.00 0.29 1.12 1.57 -0.54 0.00 0.00 174.62 177.06 2d8r n HIS 92 N 4.03 -1.40 -3.65 3.99 -0.00 -1.26 -5.06 115.22 111.88 2d8r n HIS 92 Ca -0.07 -2.43 -0.29 0.00 -0.00 0.00 0.00 57.72 54.93 2d8r n HIS 92 Cb 0.51 0.89 -0.14 0.00 -0.00 0.00 0.00 29.99 31.26 2d8r n HIS 92 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 2d8r s ILE 93 N -0.89 0.70 -0.30 3.57 2.07 -1.26 -4.98 121.20 120.11 2d8r s ILE 93 Ca 0.26 -1.62 -0.15 0.00 -1.41 0.00 0.00 60.65 57.73 2d8r s ILE 93 Cb 0.38 -1.52 0.18 0.00 0.13 0.00 0.00 42.46 41.63 2d8r s ILE 93 CO -0.05 -0.80 1.15 -0.94 -1.91 0.00 0.00 174.94 172.39 2d8r s SER 94 N 1.30 -0.17 0.00 4.50 1.04 -1.26 -5.18 113.70 113.94 2d8r s SER 94 Ca 0.13 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2d8r s SER 94 Cb -0.20 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.03 2d8r s SER 94 CO -0.16 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2d8r n GLY 95 N 5.12 -0.55 0.26 7.32 0.00 -1.26 -5.02 105.19 111.06 2d8r n GLY 95 Ca 0.07 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 2d8r n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8r h PRO 96 N 0.00 0.85 -3.90 1.61 0.13 -2.03 -3.39 132.00 125.26 2d8r h PRO 96 Ca 0.00 -0.44 -0.65 0.00 -0.87 0.00 0.00 66.00 64.04 2d8r h PRO 96 Cb 0.00 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 30.74 2d8r h PRO 96 CO 0.00 1.08 -0.67 0.45 -0.23 0.00 0.00 178.00 178.63 2d8r s SER 97 N -6.84 4.48 0.07 1.44 0.15 -1.26 -5.09 113.70 106.64 2d8r s SER 97 Ca -0.10 -2.65 -0.24 0.00 0.70 0.00 0.00 55.95 53.66 2d8r s SER 97 Cb 0.11 -1.61 -0.06 0.00 -1.71 0.00 0.00 66.02 62.75 2d8r s SER 97 CO 0.87 -0.29 0.74 -0.94 1.20 0.00 0.00 173.24 174.81 2d8r s SER 98 N 0.22 7.22 0.00 5.45 1.04 -1.26 -5.07 113.70 121.31 2d8r s SER 98 Ca 0.14 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.03 2d8r s SER 98 Cb -0.23 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2d8r s SER 98 CO -0.04 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.88