#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 3.67 -4.42 1.61 2.88 -1.26 -4.78 113.62 111.32 2d8r n SER 2 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2d8r n SER 2 Cb 0.00 0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.48 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 -2.25 -1.09 0.00 -3.46 7.64 -1.26 -4.83 113.62 108.37 2d8r n SER 3 Ca 0.00 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.66 2d8r n SER 3 Cb 0.43 -1.80 0.00 0.00 -1.01 0.00 0.00 64.21 61.84 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 -1.60 4.60 2.66 0.23 0.00 -1.26 -5.14 105.19 104.68 2d8r n GLY 4 Ca -0.04 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 2d8r n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8r s SER 5 N 1.00 2.34 -0.35 1.61 0.01 -1.26 -5.09 113.70 111.96 2d8r s SER 5 Ca 0.00 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 56.44 2d8r s SER 5 Cb 0.00 0.10 0.12 0.00 0.21 0.00 0.00 66.02 66.44 2d8r s SER 5 CO 0.00 -0.39 0.15 -0.94 0.41 0.00 0.00 173.24 172.48 2d8r s SER 6 N 2.24 3.74 -0.33 2.44 1.04 -1.26 -4.98 113.70 116.59 2d8r s SER 6 Ca 0.08 -1.96 0.13 0.00 0.48 0.00 0.00 55.95 54.67 2d8r s SER 6 Cb -0.15 -0.81 0.46 0.00 0.10 0.00 0.00 66.02 65.62 2d8r s SER 6 CO -0.27 -0.36 1.10 0.61 0.98 0.00 0.00 173.24 175.29 2d8r n GLY 7 N 4.40 4.16 3.61 7.32 0.00 -1.26 -5.07 105.19 118.36 2d8r n GLY 7 Ca 0.03 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.80 2d8r n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d8r s MET 8 N -3.53 2.17 -0.58 1.61 0.00 -1.26 -5.06 119.30 112.64 2d8r s MET 8 Ca 0.39 -1.51 -0.27 0.00 0.00 0.00 0.00 55.69 54.31 2d8r s MET 8 Cb 0.40 -2.07 -0.02 0.00 0.00 0.00 0.00 34.83 33.13 2d8r s MET 8 CO -0.04 0.33 1.84 -1.25 0.00 0.00 0.00 175.02 175.90 2d8r s PRO 9 N -3.65 2.72 -0.11 3.16 0.04 -1.26 -4.94 135.00 130.96 2d8r s PRO 9 Ca 0.32 0.69 -0.08 0.00 0.04 0.00 0.00 61.00 61.97 2d8r s PRO 9 Cb -0.06 -4.36 0.04 0.00 0.04 0.00 0.00 34.50 30.16 2d8r s PRO 9 CO 0.19 -2.61 0.28 0.99 0.04 0.00 0.00 177.00 175.88 2d8r s THR 10 N 8.75 -0.02 0.07 1.26 2.01 -1.26 -4.89 115.64 121.56 2d8r s THR 10 Ca 0.68 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.78 2d8r s THR 10 Cb -0.14 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 2d8r s THR 10 CO 0.22 0.03 -0.11 0.54 -0.69 0.00 0.00 174.62 174.61 2d8r s ASN 11 N 0.69 1.38 0.12 3.53 2.20 -1.25 -4.73 114.94 116.88 2d8r s ASN 11 Ca -0.04 -0.68 -0.31 0.00 -0.94 0.00 0.00 52.86 50.88 2d8r s ASN 11 Cb -0.06 -0.00 -0.08 0.00 -2.00 0.00 0.00 41.25 39.10 2d8r s ASN 11 CO -0.04 -0.19 1.46 0.00 -2.94 0.00 0.00 177.10 175.39 2d8r h ALA 13 N 6.96 1.24 -0.80 0.00 0.00 -1.11 -3.27 119.26 122.28 2d8r h ALA 13 Ca -0.42 -0.36 -0.55 0.00 0.00 0.00 0.00 54.91 53.58 2d8r h ALA 13 Cb 1.21 -0.08 0.08 0.00 0.00 0.00 0.00 17.79 18.99 2d8r h ALA 13 CO 0.89 0.52 -0.33 0.00 0.00 0.00 0.00 179.25 180.32 2d8r n ALA 14 N -2.48 -2.60 -1.57 0.00 0.00 -1.26 -4.66 120.51 107.94 2d8r n ALA 14 Ca -0.01 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2d8r n ALA 14 Cb 0.42 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 2d8r n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d8r n ALA 15 N 0.23 1.56 -2.91 0.00 0.00 -1.26 -3.19 120.51 114.95 2d8r n ALA 15 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 2d8r n ALA 15 Cb 0.17 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 16.70 2d8r n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8r n GLY 16 N 5.91 -1.20 2.06 0.00 0.00 -1.26 -4.98 105.19 105.71 2d8r n GLY 16 Ca 0.33 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -3.03 0.00 -0.83 0.00 0.00 -1.24 -4.69 120.51 110.73 2d8r n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2d8r n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2d8r n ALA 18 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2d8r n THR 19 N 0.00 0.00 0.00 0.00 5.66 -1.26 -1.91 114.28 116.77 2d8r n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2d8r n THR 19 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2d8r n THR 19 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2d8r n THR 20 N -2.52 0.00 -4.69 1.09 -2.24 -1.26 -4.53 114.28 100.13 2d8r n THR 20 Ca 0.00 1.23 -0.33 0.00 -2.27 0.00 0.00 64.05 62.68 2d8r n THR 20 Cb 0.00 -1.81 -0.13 0.00 -2.10 0.00 0.00 70.33 66.29 2d8r n THR 20 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2d8r s TYR 21 N -1.93 2.86 0.00 4.78 5.04 -1.26 -4.97 117.35 121.87 2d8r s TYR 21 Ca 0.00 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.32 2d8r s TYR 21 Cb 0.00 -1.79 0.00 0.00 0.35 0.00 0.00 41.96 40.52 2d8r s TYR 21 CO 0.00 0.04 0.78 -1.71 -1.34 0.00 0.00 175.55 173.32 2d8r n ASN 22 N 2.96 0.00 0.00 4.32 2.85 -1.26 -5.05 115.26 119.08 2d8r n ASN 22 Ca -0.18 -1.61 0.00 0.00 -0.11 0.00 0.00 54.58 52.69 2d8r n ASN 22 Cb 0.53 -0.12 0.00 0.00 1.24 0.00 0.00 39.78 41.42 2d8r n ASN 22 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2d8r n LYS 23 N 0.00 0.00 -3.74 1.20 4.81 -1.26 -4.56 118.16 114.61 2d8r n LYS 23 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 2d8r n LYS 23 Cb 0.62 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.54 2d8r n LYS 23 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2d8r s HIS 24 N 0.00 2.10 -0.03 5.64 2.46 -1.26 -5.09 115.29 119.11 2d8r s HIS 24 Ca 0.00 -2.44 -0.09 0.00 0.47 0.00 0.00 55.06 53.00 2d8r s HIS 24 Cb 0.00 -1.98 0.01 0.00 -0.13 0.00 0.00 32.58 30.48 2d8r s HIS 24 CO 0.00 -0.79 0.19 0.42 -2.47 0.00 0.00 174.74 172.09 2d8r s ILE 25 N 0.43 0.05 -0.35 0.89 1.01 -1.26 -5.07 121.20 116.90 2d8r s ILE 25 Ca 0.17 -0.41 0.14 0.00 0.00 0.00 0.00 60.65 60.54 2d8r s ILE 25 Cb -0.24 -0.42 0.45 0.00 0.01 0.00 0.00 42.46 42.26 2d8r s ILE 25 CO -0.02 -0.23 1.03 0.59 0.00 0.00 0.00 174.94 176.31 2d8r n ASN 26 N 1.94 2.64 -4.75 3.58 4.13 -1.26 -5.02 115.26 116.53 2d8r n ASN 26 Ca -0.19 -3.01 -0.40 0.00 1.68 0.00 0.00 54.58 52.66 2d8r n ASN 26 Cb 0.57 -0.49 -0.06 0.00 -1.54 0.00 0.00 39.78 38.26 2d8r n ASN 26 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2d8r s ILE 27 N -4.01 3.99 0.94 2.41 1.01 -1.26 -1.28 121.20 123.01 2d8r s ILE 27 Ca 0.35 1.99 -0.15 0.00 0.00 0.00 0.00 60.65 62.84 2d8r s ILE 27 Cb 0.43 -4.27 0.19 0.00 0.01 0.00 0.00 42.46 38.81 2d8r s ILE 27 CO -0.04 0.47 1.30 -0.44 0.00 0.00 0.00 174.94 176.23 2d8r s SER 28 N -1.09 3.28 -0.24 3.58 0.01 -1.26 -4.92 113.70 113.07 2d8r s SER 28 Ca 0.42 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2d8r s SER 28 Cb -0.27 -0.39 0.07 0.00 0.21 0.00 0.00 66.02 65.63 2d8r s SER 28 CO 0.33 -2.63 -0.02 0.72 0.41 0.00 0.00 173.24 172.06 2d8r s PHE 29 N -3.84 2.21 -0.45 2.43 -0.71 -1.26 -4.21 117.98 112.14 2d8r s PHE 29 Ca 0.73 -1.70 -0.01 0.00 -1.04 0.00 0.00 56.93 54.91 2d8r s PHE 29 Cb -0.05 -1.59 0.12 0.00 -1.21 0.00 0.00 43.02 40.29 2d8r s PHE 29 CO 0.52 -0.77 0.24 -1.01 -1.34 0.00 0.00 175.22 172.86 2d8r s HIS 30 N 1.46 3.55 1.26 3.49 3.76 -1.20 -4.97 115.29 122.64 2d8r s HIS 30 Ca -0.03 -2.64 -0.19 0.00 -0.15 0.00 0.00 55.06 52.06 2d8r s HIS 30 Cb -0.18 -3.14 0.29 0.00 1.11 0.00 0.00 32.58 30.65 2d8r s HIS 30 CO -0.08 -0.92 0.65 2.89 -0.85 0.00 0.00 174.74 176.43 2d8r n ARG 31 N 4.18 -3.69 -1.46 1.40 0.00 -1.26 -2.96 116.66 112.87 2d8r n ARG 31 Ca 0.02 -1.09 -0.32 0.00 -0.00 0.00 0.00 57.85 56.45 2d8r n ARG 31 Cb 0.40 -1.72 0.08 0.00 -0.00 0.00 0.00 32.46 31.21 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 -2.10 2.44 0.31 2.89 0.40 -1.26 -4.80 117.98 115.86 2d8r s PHE 32 Ca 0.53 1.58 -0.29 0.00 -0.60 0.00 0.00 56.93 58.15 2d8r s PHE 32 Cb -0.10 -3.19 -0.10 0.00 0.51 0.00 0.00 43.02 40.14 2d8r s PHE 32 CO 0.45 -1.95 1.23 -1.25 0.70 0.00 0.00 175.22 174.40 2d8r s PRO 33 N -4.37 4.46 0.08 0.24 0.04 -1.26 -4.92 135.00 129.27 2d8r s PRO 33 Ca 0.66 2.06 0.22 0.00 0.04 0.00 0.00 61.00 63.98 2d8r s PRO 33 Cb -0.21 -3.12 0.88 0.00 0.04 0.00 0.00 34.50 32.09 2d8r s PRO 33 CO 0.48 -0.04 1.68 1.28 0.04 0.00 0.00 177.00 180.43 2d8r n LEU 34 N 1.00 0.25 -4.82 -3.56 7.99 -1.26 -4.13 117.00 112.46 2d8r n LEU 34 Ca -0.00 0.54 -0.35 0.00 -0.01 0.00 0.00 56.01 56.19 2d8r n LEU 34 Cb 0.43 -0.49 -0.06 0.00 -0.11 0.00 0.00 43.42 43.19 2d8r n LEU 34 CO 0.57 -0.24 0.43 -0.62 -1.51 0.00 0.00 177.39 176.02 2d8r s ASP 35 N -3.46 6.99 0.14 -1.43 2.15 -1.26 -4.95 116.67 114.84 2d8r s ASP 35 Ca 0.09 1.40 -0.11 0.00 0.43 0.00 0.00 52.55 54.36 2d8r s ASP 35 Cb 0.12 -2.42 -0.05 0.00 -0.30 0.00 0.00 42.92 40.28 2d8r s ASP 35 CO 0.40 -0.05 1.47 1.55 -0.17 0.00 0.00 175.17 178.37 2d8r h PRO 36 N 3.03 0.92 -0.73 4.34 0.13 -1.98 0.39 132.00 138.11 2d8r h PRO 36 Ca -0.48 -0.48 0.07 0.00 -0.87 0.00 0.00 66.00 64.23 2d8r h PRO 36 Cb 1.19 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2d8r h PRO 36 CO 0.65 1.14 0.41 0.87 -0.23 0.00 0.00 178.00 180.84 2d8r h LYS 37 N 0.73 0.72 0.00 0.86 6.56 -1.96 -2.31 116.57 121.17 2d8r h LYS 37 Ca 0.06 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.48 2d8r h LYS 37 Cb 0.97 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.45 2d8r h LYS 37 CO 0.09 0.48 -0.67 0.00 -2.06 0.00 0.00 179.45 177.29 2d8r h ARG 38 N 0.74 0.00 -0.93 3.15 2.47 -1.91 -3.26 114.38 114.64 2d8r h ARG 38 Ca 0.33 0.00 0.17 0.00 -1.26 0.00 0.00 59.98 59.22 2d8r h ARG 38 Cb 0.23 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.38 2d8r h ARG 38 CO -0.20 0.99 -0.29 -2.13 0.56 0.00 0.00 179.97 178.90 2d8r n ARG 39 N -4.52 -0.14 -0.25 0.04 0.00 0.14 0.13 116.66 112.06 2d8r n ARG 39 Ca -0.22 1.45 -0.07 0.00 -0.00 0.00 0.00 57.85 59.01 2d8r n ARG 39 Cb 0.58 -2.16 0.06 0.00 0.00 0.00 0.00 32.46 30.95 2d8r n ARG 39 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2d8r h LYS 40 N 0.00 1.12 0.96 -0.14 1.57 -1.58 -2.86 116.57 115.64 2d8r h LYS 40 Ca 0.39 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2d8r h LYS 40 Cb 0.63 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.79 2d8r h LYS 40 CO -0.95 0.98 -0.46 0.93 -0.57 0.00 0.00 179.45 179.39 2d8r h GLU 41 N 1.07 -1.24 -0.66 3.15 4.39 0.10 -0.74 114.58 120.65 2d8r h GLU 41 Ca 0.22 0.08 0.11 0.00 0.34 0.00 0.00 59.36 60.12 2d8r h GLU 41 Cb 0.36 0.28 -0.12 0.00 -0.10 0.00 0.00 28.75 29.17 2d8r h GLU 41 CO 0.00 -0.83 -0.36 -1.49 -1.16 0.00 0.00 179.01 175.18 2d8r h TRP 42 N -1.29 -1.00 0.00 4.33 4.06 -0.74 1.42 115.95 122.73 2d8r h TRP 42 Ca -0.13 0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 2d8r h TRP 42 Cb 0.99 0.53 -0.00 0.00 -1.00 0.00 0.00 29.16 29.68 2d8r h TRP 42 CO -0.00 -0.39 -0.04 0.28 -3.56 0.00 0.00 178.44 174.72 2d8r h VAL 43 N -0.14 0.40 0.00 1.49 2.07 -1.44 0.16 116.25 118.78 2d8r h VAL 43 Ca 0.24 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2d8r h VAL 43 Cb 0.56 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2d8r h VAL 43 CO -0.73 0.04 -1.07 -1.14 0.02 0.00 0.00 177.57 174.69 2d8r n ARG 44 N -3.57 0.61 0.01 1.57 0.63 0.31 -3.75 116.66 112.48 2d8r n ARG 44 Ca -0.02 0.11 -0.22 0.00 -0.92 0.00 0.00 57.85 56.80 2d8r n ARG 44 Cb 0.15 -1.81 -0.14 0.00 0.45 0.00 0.00 32.46 31.11 2d8r n ARG 44 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2d8r h LEU 45 N 0.00 0.42 -1.84 6.15 3.38 0.27 -3.35 115.31 120.35 2d8r h LEU 45 Ca -0.00 -0.90 -0.02 0.00 0.09 0.00 0.00 57.88 57.05 2d8r h LEU 45 Cb 1.01 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2d8r h LEU 45 CO 0.00 1.78 -0.08 1.62 0.09 0.00 0.00 178.44 181.85 2d8r h VAL 46 N -0.07 1.05 -4.24 1.22 3.04 -0.91 -3.48 116.25 112.86 2d8r h VAL 46 Ca -0.38 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2d8r h VAL 46 Cb 1.95 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 2d8r h VAL 46 CO 0.08 0.08 -0.43 -1.14 -1.01 0.00 0.00 177.57 175.15 2d8r n ARG 47 N -4.44 -1.69 -3.94 4.17 0.63 -1.25 -4.02 116.66 106.14 2d8r n ARG 47 Ca -0.03 1.62 -0.09 0.00 -0.92 0.00 0.00 57.85 58.43 2d8r n ARG 47 Cb 0.16 -3.67 -0.09 0.00 0.45 0.00 0.00 32.46 29.31 2d8r n ARG 47 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2d8r s ARG 48 N -1.40 0.61 -0.21 -0.14 1.81 -1.26 -4.66 118.95 113.70 2d8r s ARG 48 Ca 0.07 -0.81 -0.14 0.00 -1.72 0.00 0.00 55.73 53.13 2d8r s ARG 48 Cb -0.02 0.24 -0.04 0.00 -0.45 0.00 0.00 34.95 34.67 2d8r s ARG 48 CO 0.44 -0.15 0.29 0.15 -0.68 0.00 0.00 175.30 175.35 2d8r s LYS 49 N -2.83 4.15 -1.37 3.54 1.02 -1.26 -4.31 119.74 118.69 2d8r s LYS 49 Ca -0.03 0.01 -0.12 0.00 0.02 0.00 0.00 55.97 55.86 2d8r s LYS 49 Cb 0.00 -3.52 0.09 0.00 -0.52 0.00 0.00 37.83 33.88 2d8r s LYS 49 CO -0.06 0.04 0.58 -1.71 -0.92 0.00 0.00 175.35 173.28 2d8r n ASN 50 N 4.27 -3.66 -4.92 2.83 2.85 -1.26 -4.94 115.26 110.43 2d8r n ASN 50 Ca -0.11 -0.53 -0.25 0.00 -0.11 0.00 0.00 54.58 53.57 2d8r n ASN 50 Cb 0.51 -3.02 -0.03 0.00 1.24 0.00 0.00 39.78 38.49 2d8r n ASN 50 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 2d8r s PHE 51 N -3.01 3.42 -0.28 1.20 2.19 -1.26 -5.11 117.98 115.13 2d8r s PHE 51 Ca 0.49 0.07 -0.27 0.00 0.33 0.00 0.00 56.93 57.54 2d8r s PHE 51 Cb -0.26 -1.62 0.18 0.00 -1.31 0.00 0.00 43.02 40.01 2d8r s PHE 51 CO 0.60 0.50 1.32 0.08 1.83 0.00 0.00 175.22 179.55 2d8r s VAL 52 N -1.79 0.00 -0.25 3.12 1.01 -1.26 -5.01 120.40 116.21 2d8r s VAL 52 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 2d8r s VAL 52 Cb -0.10 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2d8r s VAL 52 CO 0.28 0.00 1.63 -2.16 0.00 0.00 0.00 175.10 174.84 2d8r s PRO 53 N -0.44 3.72 0.00 2.72 0.04 -1.26 -4.76 135.00 135.02 2d8r s PRO 53 Ca 0.06 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2d8r s PRO 53 Cb -0.03 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2d8r s PRO 53 CO -0.10 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2d8r n GLY 54 N 4.79 0.00 3.53 0.56 0.00 -1.26 -5.05 105.19 107.77 2d8r n GLY 54 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 2d8r n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d8r s LYS 55 N -1.27 0.33 0.00 1.61 2.20 -1.26 -4.92 119.74 116.42 2d8r s LYS 55 Ca 0.00 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 2d8r s LYS 55 Cb 0.00 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 2d8r s LYS 55 CO 0.00 -0.09 0.00 0.72 -0.36 0.00 0.00 175.35 175.62 2d8r n HIS 56 N 4.27 0.00 -2.79 4.03 8.25 -1.26 -4.98 115.22 122.73 2d8r n HIS 56 Ca -0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.89 2d8r n HIS 56 Cb 0.55 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.45 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 -3.60 4.61 0.15 1.59 2.01 -1.26 -3.85 115.64 115.28 2d8r s THR 57 Ca 0.00 1.33 -0.09 0.00 0.31 0.00 0.00 61.69 63.24 2d8r s THR 57 Cb 0.00 -4.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 2d8r s THR 57 CO 0.00 -0.46 0.26 0.72 -0.69 0.00 0.00 174.62 174.45 2d8r s PHE 58 N 3.41 0.35 -0.03 4.92 -0.12 -1.25 -4.14 117.98 121.11 2d8r s PHE 58 Ca 0.39 -0.72 0.04 0.00 -0.05 0.00 0.00 56.93 56.59 2d8r s PHE 58 Cb -0.12 -0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.19 2d8r s PHE 58 CO 0.17 -0.67 -0.16 -0.51 -0.05 0.00 0.00 175.22 173.99 2d8r s LEU 59 N -2.94 1.95 1.12 -1.99 1.43 -1.15 -0.49 118.68 116.60 2d8r s LEU 59 Ca 0.14 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 2d8r s LEU 59 Cb 0.04 -0.89 0.18 0.00 0.03 0.00 0.00 46.19 45.55 2d8r s LEU 59 CO -0.03 0.17 0.52 0.00 0.23 0.00 0.00 176.35 177.24 2d8r n SER 61 N -3.11 0.43 0.26 0.00 3.41 -1.26 -4.16 113.62 109.19 2d8r n SER 61 Ca 0.03 -0.11 0.10 0.00 -0.26 0.00 0.00 58.87 58.63 2d8r n SER 61 Cb 0.57 1.29 0.71 0.00 -0.26 0.00 0.00 64.21 66.53 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 0.00 0.77 4.33 2.10 -1.94 -3.01 116.57 118.83 2d8r h LYS 62 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2d8r h LYS 62 Cb 0.87 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.21 2d8r h LYS 62 CO 0.00 0.07 -0.37 0.45 -2.00 0.00 0.00 179.45 177.59 2d8r h HIS 63 N 0.00 -0.96 -4.11 0.07 3.86 -1.86 -3.44 115.15 108.70 2d8r h HIS 63 Ca -0.00 -0.02 -0.53 0.00 -1.16 0.00 0.00 60.37 58.66 2d8r h HIS 63 Cb 0.14 0.32 0.12 0.00 1.06 0.00 0.00 27.41 29.05 2d8r h HIS 63 CO 0.00 -0.60 0.46 -0.06 0.86 0.00 0.00 177.93 178.59 2d8r s PHE 64 N -4.96 2.34 0.00 2.45 0.40 -1.14 -4.05 117.98 113.01 2d8r s PHE 64 Ca -0.15 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.70 2d8r s PHE 64 Cb 0.02 -3.48 0.00 0.00 0.51 0.00 0.00 43.02 40.06 2d8r s PHE 64 CO 0.46 -2.29 0.00 0.39 0.70 0.00 0.00 175.22 174.47 2d8r n GLU 65 N -1.80 0.00 0.00 0.44 1.02 -1.26 -4.98 120.64 114.06 2d8r n GLU 65 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2d8r n GLU 65 Cb 0.50 -0.02 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 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 -3.00 0.93 0.23 0.62 0.00 -1.26 -4.86 120.51 113.17 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 0.18 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.39 0.06 -0.37 0.00 7.64 -1.26 -0.96 113.62 117.35 2d8r n SER 67 Ca 0.00 0.52 0.14 0.00 1.01 0.00 0.00 58.87 60.55 2d8r n SER 67 Cb 0.00 -0.53 0.60 0.00 -1.01 0.00 0.00 64.21 63.27 2d8r n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d8r n PHE 69 N -0.11 0.08 -3.30 0.00 3.01 -0.13 -0.00 117.46 117.02 2d8r n PHE 69 Ca 0.19 -2.20 -0.41 0.00 1.01 0.00 0.00 57.45 56.04 2d8r n PHE 69 Cb 0.31 -0.37 -0.02 0.00 -0.01 0.00 0.00 39.48 39.40 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 -1.61 5.43 0.07 4.37 2.03 0.41 -4.60 116.55 122.66 2d8r n ASP 70 Ca -0.09 -3.22 -0.14 0.00 0.52 0.00 0.00 54.79 51.86 2d8r n ASP 70 Cb 0.58 -1.22 -0.14 0.00 -0.72 0.00 0.00 41.12 39.62 2d8r n ASP 70 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2d8r h LEU 71 N 5.91 0.31 -5.46 -2.67 -0.00 -1.85 -3.27 115.31 108.29 2d8r h LEU 71 Ca 0.18 -0.37 -0.71 0.00 -0.00 0.00 0.00 57.88 56.98 2d8r h LEU 71 Cb 0.76 -0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 41.21 2d8r h LEU 71 CO 1.08 1.30 2.52 1.07 -0.00 0.00 0.00 178.44 184.41 2d8r n THR 72 N -3.44 4.97 0.01 0.22 5.66 -1.26 -4.13 114.28 116.31 2d8r n THR 72 Ca -0.10 -3.94 0.00 0.00 -3.05 0.00 0.00 64.05 56.96 2d8r n THR 72 Cb 1.02 -2.14 0.00 0.00 -1.55 0.00 0.00 70.33 67.66 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 1.99 -0.51 0.00 1.09 0.00 -1.26 -5.15 105.19 101.35 2d8r n GLY 73 Ca 0.64 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2d8r n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d8r n GLN 74 N -2.36 0.00 0.00 1.61 10.64 -1.23 -5.16 117.38 120.88 2d8r n GLN 74 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2d8r n GLN 74 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2d8r n GLN 74 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2d8r n THR 75 N -0.02 0.00 -3.77 -0.39 5.66 -1.26 -4.37 114.28 110.13 2d8r n THR 75 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 2d8r n THR 75 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 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 2.18 -0.14 1.09 3.52 -1.26 -3.99 118.95 120.35 2d8r s ARG 76 Ca 0.00 -2.10 -0.01 0.00 -0.13 0.00 0.00 55.73 53.49 2d8r s ARG 76 Cb 0.00 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 2d8r s ARG 76 CO 0.00 -1.11 -0.10 1.03 -0.81 0.00 0.00 175.30 174.31 2d8r s ARG 77 N 0.66 3.48 -0.23 5.12 0.52 -1.26 -4.82 118.95 122.41 2d8r s ARG 77 Ca 0.12 -0.63 -0.28 0.00 -0.52 0.00 0.00 55.73 54.41 2d8r s ARG 77 Cb -0.22 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 2d8r s ARG 77 CO -0.04 0.23 2.05 -1.17 0.02 0.00 0.00 175.30 176.39 2d8r s LEU 78 N 0.34 3.54 0.12 2.53 1.98 -1.26 0.16 118.68 126.08 2d8r s LEU 78 Ca -0.09 1.76 -0.35 0.00 -2.89 0.00 0.00 54.13 52.56 2d8r s LEU 78 Cb -0.15 -3.52 -0.16 0.00 0.66 0.00 0.00 46.19 43.02 2d8r s LEU 78 CO 0.05 -1.80 1.36 0.29 -1.89 0.00 0.00 176.35 174.36 2d8r n LYS 79 N 8.54 1.35 0.06 1.98 5.02 1.00 -4.78 118.16 131.33 2d8r n LYS 79 Ca 0.27 0.49 0.04 0.00 -2.02 0.00 0.00 58.31 57.09 2d8r n LYS 79 Cb 0.45 -2.13 0.22 0.00 -0.02 0.00 0.00 35.03 33.56 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 2.54 0.05 -0.65 1.97 2.81 -1.26 -0.55 117.12 122.03 2d8r n MET 80 Ca 0.17 0.54 0.02 0.00 -1.81 0.00 0.00 57.70 56.62 2d8r n MET 80 Cb 0.22 -1.70 0.20 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.78 2.18 -4.62 7.83 8.00 -1.26 -4.59 116.55 122.31 2d8r n ASP 81 Ca -0.01 -3.76 -0.34 0.00 0.71 0.00 0.00 54.79 51.39 2d8r n ASP 81 Cb 0.04 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 2d8r n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d8r s ALA 82 N -3.20 3.11 0.13 2.24 0.00 0.29 -5.05 121.76 119.28 2d8r s ALA 82 Ca 0.41 -0.85 0.10 0.00 0.00 0.00 0.00 51.96 51.62 2d8r s ALA 82 Cb 0.38 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2d8r s ALA 82 CO -0.03 0.56 -0.24 0.14 0.00 0.00 0.00 175.76 176.20 2d8r s VAL 83 N -0.79 2.04 -0.95 0.00 -7.23 -1.26 -4.92 120.40 107.28 2d8r s VAL 83 Ca 0.12 -1.74 -0.24 0.00 -1.81 0.00 0.00 61.98 58.31 2d8r s VAL 83 Cb -0.11 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 2d8r s VAL 83 CO 0.02 -0.03 1.94 -2.16 -0.31 0.00 0.00 175.10 174.56 2d8r s PRO 84 N -2.17 2.55 -0.13 4.82 0.04 -1.26 -4.76 135.00 134.09 2d8r s PRO 84 Ca 0.12 -0.43 0.08 0.00 0.04 0.00 0.00 61.00 60.81 2d8r s PRO 84 Cb -0.09 -5.09 0.47 0.00 0.04 0.00 0.00 34.50 29.82 2d8r s PRO 84 CO 0.06 -3.47 1.22 0.25 0.04 0.00 0.00 177.00 175.10 2d8r n THR 85 N 7.86 1.56 0.05 1.26 -2.24 -1.26 -4.44 114.28 117.07 2d8r n THR 85 Ca 0.41 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2d8r n THR 85 Cb 0.47 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.37 0.13 0.00 2.28 -0.00 -1.26 -5.03 119.36 115.85 2d8r n ILE 86 Ca 0.16 0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.95 2d8r n ILE 86 Cb 0.78 -0.48 0.00 0.00 -0.00 0.00 0.00 39.64 39.94 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 -2.92 0.00 -3.64 1.39 3.72 -1.26 -4.41 117.46 110.34 2d8r n PHE 87 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2d8r n PHE 87 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 2d8r n PHE 87 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2d8r s ASP 88 N -4.00 -0.36 -0.31 4.37 2.15 -1.26 -4.75 116.67 112.52 2d8r s ASP 88 Ca 0.00 0.63 -0.01 0.00 0.43 0.00 0.00 52.55 53.60 2d8r s ASP 88 Cb 0.00 0.88 0.10 0.00 -0.30 0.00 0.00 42.92 43.60 2d8r s ASP 88 CO 0.00 -0.10 0.10 0.12 -0.17 0.00 0.00 175.17 175.12 2d8r s PHE 89 N 0.69 1.53 0.31 -5.34 2.19 -1.26 -5.12 117.98 110.98 2d8r s PHE 89 Ca -0.02 -1.63 0.10 0.00 0.33 0.00 0.00 56.93 55.71 2d8r s PHE 89 Cb -0.04 -1.61 -0.06 0.00 -1.31 0.00 0.00 43.02 40.00 2d8r s PHE 89 CO -0.11 -0.87 -0.12 0.00 1.83 0.00 0.00 175.22 175.95 2d8r s THR 91 N -2.66 0.03 0.48 0.00 2.01 -1.26 -5.03 115.64 109.22 2d8r s THR 91 Ca 0.31 -0.27 0.30 0.00 0.31 0.00 0.00 61.69 62.34 2d8r s THR 91 Cb 0.01 -0.33 0.33 0.00 0.01 0.00 0.00 72.50 72.52 2d8r s THR 91 CO 0.15 -0.15 2.16 0.45 -0.69 0.00 0.00 174.62 176.54 2d8r h HIS 92 N 5.22 0.00 -1.68 4.92 3.86 -2.03 -3.06 115.15 122.38 2d8r h HIS 92 Ca -0.27 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.20 2d8r h HIS 92 Cb 1.20 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.46 2d8r h HIS 92 CO 0.48 0.07 1.41 -0.89 0.86 0.00 0.00 177.93 179.85 2d8r n ILE 93 N -3.64 5.06 -3.56 2.45 -0.00 -1.26 -4.78 119.36 113.62 2d8r n ILE 93 Ca -0.02 -4.76 -0.23 0.00 -0.00 0.00 0.00 62.75 57.74 2d8r n ILE 93 Cb 0.17 -1.68 -0.15 0.00 -0.00 0.00 0.00 39.64 37.98 2d8r n ILE 93 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2d8r s SER 94 N -0.50 1.90 -1.03 4.38 0.15 -1.16 -4.94 113.70 112.51 2d8r s SER 94 Ca 0.49 -0.43 -0.15 0.00 0.70 0.00 0.00 55.95 56.56 2d8r s SER 94 Cb 0.25 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.58 2d8r s SER 94 CO -0.18 -0.34 0.75 0.61 1.20 0.00 0.00 173.24 175.29 2d8r n GLY 95 N 5.30 -1.08 3.55 9.45 0.00 -1.26 -4.78 105.19 116.37 2d8r n GLY 95 Ca -0.06 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.59 1.59 -3.72 1.61 -0.04 -1.26 -4.36 135.00 125.23 2d8r n PRO 96 Ca -0.12 -2.43 -0.29 0.00 -0.04 0.00 0.00 63.50 60.62 2d8r n PRO 96 Cb 0.59 -3.68 0.01 0.00 -0.04 0.00 0.00 33.50 30.38 2d8r n PRO 96 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d8r n SER 97 N 14.00 -5.01 0.06 3.54 3.41 -1.26 -4.91 113.62 123.45 2d8r n SER 97 Ca 0.45 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2d8r n SER 97 Cb 0.46 -1.65 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 2d8r n SER 97 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d8r n SER 98 N -1.97 0.16 -0.13 4.04 7.64 -1.26 -5.28 113.62 116.82 2d8r n SER 98 Ca -0.26 0.18 0.02 0.00 1.01 0.00 0.00 58.87 59.82 2d8r n SER 98 Cb 0.69 0.07 0.01 0.00 -1.01 0.00 0.00 64.21 63.97 2d8r n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64