#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkw s ASP 2 N 0.00 5.82 -0.12 9.51 1.01 -1.26 -0.45 116.67 131.17 1tkw s ASP 2 Ca 0.00 0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.45 1tkw s ASP 2 Cb 0.00 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.98 1tkw s ASP 2 CO 0.00 0.22 -0.18 -0.69 0.21 0.00 0.00 175.17 174.74 1tkw s VAL 3 N 0.07 1.70 0.06 -1.27 1.01 -0.54 -4.53 120.40 116.90 1tkw s VAL 3 Ca 0.06 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 1tkw s VAL 3 Cb -0.12 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 1tkw s VAL 3 CO 0.00 0.48 0.79 -0.76 0.00 0.00 0.00 175.10 175.61 1tkw s LEU 4 N 0.94 4.47 -0.66 3.92 1.43 -0.03 -1.44 118.68 127.31 1tkw s LEU 4 Ca -0.06 1.51 -0.18 0.00 -1.03 0.00 0.00 54.13 54.37 1tkw s LEU 4 Cb -0.15 -3.28 0.13 0.00 0.03 0.00 0.00 46.19 42.92 1tkw s LEU 4 CO -0.02 0.02 0.74 -0.76 0.23 0.00 0.00 176.35 176.56 1tkw s LEU 5 N -0.16 5.64 0.00 1.79 1.43 -0.39 -1.55 118.68 125.45 1tkw s LEU 5 Ca 0.39 -1.72 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1tkw s LEU 5 Cb -0.21 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1tkw s LEU 5 CO 0.24 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1tkw n GLY 6 N 5.11 1.76 3.74 -3.19 0.00 -0.74 -1.84 105.19 110.03 1tkw n GLY 6 Ca -0.03 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 1tkw n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tkw s ALA 7 N 0.00 1.53 -0.30 4.61 0.00 0.17 -3.87 121.76 123.90 1tkw s ALA 7 Ca 0.00 -0.29 0.25 0.00 0.00 0.00 0.00 51.96 51.92 1tkw s ALA 7 Cb 0.00 -3.12 1.13 0.00 0.00 0.00 0.00 23.12 21.14 1tkw s ALA 7 CO 0.00 -2.38 1.75 -0.44 0.00 0.00 0.00 175.76 174.69 1tkw h ASP 8 N -1.57 0.00 -0.65 0.00 3.32 -1.96 -1.40 116.42 114.16 1tkw h ASP 8 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1tkw h ASP 8 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1tkw h ASP 8 CO 0.58 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.20 1tkw n ASP 9 N -2.36 3.57 0.00 6.45 5.75 -1.26 -4.91 116.55 123.78 1tkw n ASP 9 Ca 0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1tkw n ASP 9 Cb 0.18 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1tkw n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tkw n GLY 10 N 1.50 0.61 3.77 6.12 0.00 -0.53 -5.03 105.19 111.63 1tkw n GLY 10 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1tkw n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tkw s SER 11 N -2.04 6.75 -1.09 1.61 0.01 -1.26 -4.75 113.70 112.94 1tkw s SER 11 Ca 0.00 2.48 -0.19 0.00 1.31 0.00 0.00 55.95 59.55 1tkw s SER 11 Cb 0.00 -2.63 0.11 0.00 0.21 0.00 0.00 66.02 63.70 1tkw s SER 11 CO 0.00 -0.53 1.41 -0.76 0.41 0.00 0.00 173.24 173.77 1tkw s LEU 12 N -2.02 4.39 0.07 2.44 1.43 -1.26 -0.66 118.68 123.07 1tkw s LEU 12 Ca 0.51 -2.19 -0.21 0.00 -1.03 0.00 0.00 54.13 51.22 1tkw s LEU 12 Cb -0.35 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.44 1tkw s LEU 12 CO 0.45 -1.13 0.49 0.00 0.23 0.00 0.00 176.35 176.39 1tkw s ALA 13 N 3.36 -1.24 -0.00 4.21 0.00 -1.26 -3.95 121.76 122.88 1tkw s ALA 13 Ca 0.43 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 1tkw s ALA 13 Cb -0.01 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 1tkw s ALA 13 CO -0.04 -0.54 0.72 -0.06 0.00 0.00 0.00 175.76 175.84 1tkw s PHE 14 N -2.75 3.67 -0.26 0.00 0.08 -1.26 -1.79 117.98 115.67 1tkw s PHE 14 Ca -0.04 1.36 0.01 0.00 0.12 0.00 0.00 56.93 58.38 1tkw s PHE 14 Cb -0.00 -2.79 0.07 0.00 -0.57 0.00 0.00 43.02 39.73 1tkw s PHE 14 CO -0.04 0.22 -0.02 0.08 -0.10 0.00 0.00 175.22 175.35 1tkw s VAL 15 N 0.24 1.58 0.77 -0.44 1.01 -0.59 -1.62 120.40 121.35 1tkw s VAL 15 Ca 0.37 -1.44 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 1tkw s VAL 15 Cb -0.19 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.30 1tkw s VAL 15 CO 0.20 -0.26 1.13 -2.16 0.00 0.00 0.00 175.10 174.01 1tkw s PRO 16 N 1.34 2.33 -0.17 2.72 0.04 -1.26 -0.85 135.00 139.14 1tkw s PRO 16 Ca -0.01 0.37 0.17 0.00 0.04 0.00 0.00 61.00 61.57 1tkw s PRO 16 Cb -0.19 -1.97 -0.24 0.00 0.04 0.00 0.00 34.50 32.14 1tkw s PRO 16 CO -0.09 -1.39 0.10 -1.13 0.04 0.00 0.00 177.00 174.53 1tkw n SER 17 N -3.23 0.33 -4.05 6.66 3.41 -0.64 -4.83 113.62 111.28 1tkw n SER 17 Ca 0.07 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.38 1tkw n SER 17 Cb 0.58 1.05 -0.16 0.00 -0.26 0.00 0.00 64.21 65.42 1tkw n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1tkw s GLU 18 N -2.54 2.45 0.22 4.33 2.02 -1.26 -1.31 118.70 122.61 1tkw s GLU 18 Ca -0.09 -0.62 -0.15 0.00 0.02 0.00 0.00 54.97 54.13 1tkw s GLU 18 Cb 0.06 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 32.11 1tkw s GLU 18 CO 0.78 -0.21 0.50 -0.59 0.02 0.00 0.00 175.26 175.76 1tkw s PHE 19 N 1.40 0.10 0.08 1.61 -0.71 -1.15 -5.02 117.98 114.29 1tkw s PHE 19 Ca 0.04 -0.47 0.09 0.00 -1.04 0.00 0.00 56.93 55.55 1tkw s PHE 19 Cb -0.13 0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 1tkw s PHE 19 CO -0.10 -0.95 -0.25 -1.12 -1.34 0.00 0.00 175.22 171.46 1tkw s SER 20 N -2.94 2.97 0.08 1.98 0.01 -1.26 -1.85 113.70 112.68 1tkw s SER 20 Ca 0.15 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 1tkw s SER 20 Cb -0.01 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 1tkw s SER 20 CO 0.03 0.19 0.01 0.27 0.41 0.00 0.00 173.24 174.14 1tkw s ILE 21 N -0.92 0.18 0.48 1.44 -4.36 -0.57 -4.94 121.20 112.51 1tkw s ILE 21 Ca 0.11 -1.82 -0.04 0.00 -0.26 0.00 0.00 60.65 58.64 1tkw s ILE 21 Cb -0.10 -1.67 -0.03 0.00 1.25 0.00 0.00 42.46 41.91 1tkw s ILE 21 CO 0.03 -0.82 0.76 -0.44 0.24 0.00 0.00 174.94 174.71 1tkw s SER 22 N -2.96 6.17 0.22 4.36 0.01 -1.26 -2.05 113.70 118.19 1tkw s SER 22 Ca 0.12 0.81 -0.30 0.00 1.31 0.00 0.00 55.95 57.89 1tkw s SER 22 Cb 0.08 -2.13 -0.10 0.00 0.21 0.00 0.00 66.02 64.08 1tkw s SER 22 CO -0.06 -0.60 1.46 -2.16 0.41 0.00 0.00 173.24 172.28 1tkw s PRO 23 N -4.71 4.26 0.00 12.44 0.04 -1.26 -2.10 135.00 143.67 1tkw s PRO 23 Ca 0.47 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.81 1tkw s PRO 23 Cb -0.10 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1tkw s PRO 23 CO 0.43 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1tkw n GLY 24 N 2.64 1.79 3.76 0.56 0.00 0.12 -4.95 105.19 109.11 1tkw n GLY 24 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1tkw n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tkw s GLU 25 N -0.39 4.42 0.12 1.61 2.12 -0.89 -4.78 118.70 120.90 1tkw s GLU 25 Ca 0.00 2.11 -0.17 0.00 0.36 0.00 0.00 54.97 57.27 1tkw s GLU 25 Cb 0.00 -3.11 -0.07 0.00 0.26 0.00 0.00 34.13 31.21 1tkw s GLU 25 CO 0.00 -0.11 0.57 0.21 -0.54 0.00 0.00 175.26 175.39 1tkw s LYS 26 N -1.55 4.09 -0.24 4.30 2.20 -1.26 -3.85 119.74 123.44 1tkw s LYS 26 Ca 0.49 0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 56.69 1tkw s LYS 26 Cb -0.38 -3.06 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1tkw s LYS 26 CO 0.49 0.55 -0.04 0.42 -0.36 0.00 0.00 175.35 176.41 1tkw s ILE 27 N -1.31 3.24 -0.47 5.43 1.01 -0.08 -0.26 121.20 128.76 1tkw s ILE 27 Ca 0.34 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1tkw s ILE 27 Cb -0.17 -2.56 0.09 0.00 0.01 0.00 0.00 42.46 39.83 1tkw s ILE 27 CO 0.19 0.30 0.36 -0.69 0.00 0.00 0.00 174.94 175.10 1tkw s VAL 28 N 1.42 4.72 -0.25 2.92 1.01 0.40 -2.11 120.40 128.51 1tkw s VAL 28 Ca 0.03 -1.38 -0.25 0.00 0.00 0.00 0.00 61.98 60.38 1tkw s VAL 28 Cb -0.15 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 1tkw s VAL 28 CO -0.03 -0.64 0.87 -0.36 0.00 0.00 0.00 175.10 174.93 1tkw s PHE 29 N 1.51 3.30 -0.08 5.22 0.08 -0.48 -1.47 117.98 126.07 1tkw s PHE 29 Ca 0.04 1.16 0.05 0.00 0.12 0.00 0.00 56.93 58.30 1tkw s PHE 29 Cb -0.25 -3.12 -0.01 0.00 -0.57 0.00 0.00 43.02 39.07 1tkw s PHE 29 CO 0.03 -0.44 -0.24 -1.59 -0.10 0.00 0.00 175.22 172.88 1tkw s LYS 30 N 2.94 2.83 0.05 0.44 -2.85 -0.52 -0.97 119.74 121.65 1tkw s LYS 30 Ca 0.36 -0.89 -0.30 0.00 -1.00 0.00 0.00 55.97 54.14 1tkw s LYS 30 Cb -0.15 -2.24 -0.09 0.00 -2.06 0.00 0.00 37.83 33.29 1tkw s LYS 30 CO 0.08 0.27 1.92 -0.80 0.10 0.00 0.00 175.35 176.92 1tkw s ASN 31 N 0.11 6.46 0.02 0.03 -0.87 0.45 -1.26 114.94 119.88 1tkw s ASN 31 Ca -0.12 2.67 -0.02 0.00 -1.57 0.00 0.00 52.86 53.82 1tkw s ASN 31 Cb -0.16 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.52 1tkw s ASN 31 CO 0.07 -1.04 -0.03 -3.20 -2.57 0.00 0.00 177.10 170.33 1tkw n ASN 32 N 7.11 0.70 -3.59 -1.22 5.15 -0.77 -1.61 115.26 121.03 1tkw n ASN 32 Ca 0.19 0.10 -0.17 0.00 -0.60 0.00 0.00 54.58 54.10 1tkw n ASN 32 Cb 0.41 -0.23 -0.07 0.00 -0.53 0.00 0.00 39.78 39.36 1tkw n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tkw s ALA 33 N -2.07 -1.51 -0.01 5.20 0.00 -0.86 -4.91 121.76 117.61 1tkw s ALA 33 Ca -0.03 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1tkw s ALA 33 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1tkw s ALA 33 CO 0.04 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1tkw n GLY 34 N 1.10 0.45 3.66 0.00 0.00 -1.26 -3.95 105.19 105.19 1tkw n GLY 34 Ca -0.19 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 1tkw n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tkw s PHE 35 N -2.00 2.03 0.65 1.61 -0.12 -1.26 -4.75 117.98 114.14 1tkw s PHE 35 Ca 0.00 0.97 -0.17 0.00 -0.05 0.00 0.00 56.93 57.68 1tkw s PHE 35 Cb 0.00 -3.26 -0.01 0.00 -0.63 0.00 0.00 43.02 39.12 1tkw s PHE 35 CO 0.00 -3.02 1.18 -1.25 -0.05 0.00 0.00 175.22 172.08 1tkw s PRO 36 N -4.94 2.71 0.11 1.99 0.04 -1.26 -5.07 135.00 128.58 1tkw s PRO 36 Ca 0.66 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 1tkw s PRO 36 Cb -0.19 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1tkw s PRO 36 CO 0.58 -1.38 0.02 -1.01 0.04 0.00 0.00 177.00 175.25 1tkw s HIS 37 N -1.92 0.79 0.19 0.56 3.76 -0.66 -4.93 115.29 113.08 1tkw s HIS 37 Ca 0.73 -1.15 -0.14 0.00 -0.15 0.00 0.00 55.06 54.35 1tkw s HIS 37 Cb -0.27 -0.47 0.01 0.00 1.11 0.00 0.00 32.58 32.96 1tkw s HIS 37 CO 0.38 -0.43 0.43 0.54 -0.85 0.00 0.00 174.74 174.81 1tkw s ASN 38 N -3.02 -0.14 -0.21 1.40 4.22 -1.26 -0.52 114.94 115.42 1tkw s ASN 38 Ca 0.18 -0.65 0.01 0.00 -2.14 0.00 0.00 52.86 50.26 1tkw s ASN 38 Cb 0.07 0.53 0.04 0.00 1.28 0.00 0.00 41.25 43.17 1tkw s ASN 38 CO -0.02 -1.00 -0.12 -0.63 -2.04 0.00 0.00 177.10 173.29 1tkw s ILE 39 N -3.92 1.79 -0.11 0.54 1.09 -1.26 -4.07 121.20 115.26 1tkw s ILE 39 Ca 0.13 -1.11 0.03 0.00 -1.10 0.00 0.00 60.65 58.60 1tkw s ILE 39 Cb 0.01 -1.84 0.01 0.00 -1.06 0.00 0.00 42.46 39.58 1tkw s ILE 39 CO -0.01 0.19 -0.22 -0.69 -0.10 0.00 0.00 174.94 174.11 1tkw s VAL 40 N 1.33 1.95 -0.00 2.92 1.01 -0.35 -1.25 120.40 126.01 1tkw s VAL 40 Ca -0.02 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1tkw s VAL 40 Cb -0.16 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1tkw s VAL 40 CO -0.08 0.53 0.64 -0.36 0.00 0.00 0.00 175.10 175.83 1tkw s PHE 41 N 0.59 3.68 -0.28 5.22 0.40 -1.26 -0.95 117.98 125.38 1tkw s PHE 41 Ca -0.13 1.25 -0.29 0.00 -0.60 0.00 0.00 56.93 57.16 1tkw s PHE 41 Cb -0.17 -2.67 -0.02 0.00 0.51 0.00 0.00 43.02 40.67 1tkw s PHE 41 CO 0.04 0.30 1.65 0.34 0.70 0.00 0.00 175.22 178.25 1tkw s ASP 42 N -0.03 6.21 0.54 1.36 2.15 0.59 -4.87 116.67 122.62 1tkw s ASP 42 Ca 0.33 1.42 0.23 0.00 0.43 0.00 0.00 52.55 54.96 1tkw s ASP 42 Cb -0.19 -2.53 1.41 0.00 -0.30 0.00 0.00 42.92 41.31 1tkw s ASP 42 CO 0.18 -1.43 2.07 1.05 -0.17 0.00 0.00 175.17 176.87 1tkw h GLU 43 N 11.44 0.00 -0.27 4.34 4.11 -1.94 0.05 114.58 132.31 1tkw h GLU 43 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1tkw h GLU 43 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1tkw h GLU 43 CO 1.02 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.85 1tkw n ASP 44 N -4.32 2.54 -2.31 3.06 8.00 -1.26 -4.32 116.55 117.94 1tkw n ASP 44 Ca 0.04 -1.86 -0.07 0.00 0.71 0.00 0.00 54.79 53.62 1tkw n ASP 44 Cb 0.38 -0.17 0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1tkw n ASP 44 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1tkw n SER 45 N 0.90 2.56 -4.36 -2.24 7.64 -0.00 -5.07 113.62 113.05 1tkw n SER 45 Ca 0.17 -2.67 -0.18 0.00 1.01 0.00 0.00 58.87 57.20 1tkw n SER 45 Cb 0.47 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 1tkw n SER 45 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1tkw s ILE 46 N -3.63 0.98 0.41 0.44 -4.36 -1.20 -1.72 121.20 112.12 1tkw s ILE 46 Ca 0.36 -2.02 -0.27 0.00 -0.26 0.00 0.00 60.65 58.46 1tkw s ILE 46 Cb 0.36 -2.55 -0.10 0.00 1.25 0.00 0.00 42.46 41.42 1tkw s ILE 46 CO -0.03 -0.15 1.46 -0.81 0.24 0.00 0.00 174.94 175.65 1tkw n PRO 47 N -0.51 2.48 -1.67 0.37 -0.04 -1.25 -4.91 135.00 129.47 1tkw n PRO 47 Ca -0.03 0.87 -0.44 0.00 -0.04 0.00 0.00 63.50 63.86 1tkw n PRO 47 Cb 0.65 -2.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.44 1tkw n PRO 47 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tkw n SER 48 N 0.15 2.65 0.00 3.54 7.64 -1.26 -2.46 113.62 123.89 1tkw n SER 48 Ca 0.03 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1tkw n SER 48 Cb 0.40 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1tkw n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tkw n GLY 49 N 1.71 1.50 3.73 0.23 0.00 -1.26 -5.04 105.19 106.06 1tkw n GLY 49 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1tkw n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tkw s VAL 50 N -2.58 4.60 -0.43 1.61 1.01 -1.03 -5.01 120.40 118.57 1tkw s VAL 50 Ca 0.00 2.00 -0.24 0.00 0.00 0.00 0.00 61.98 63.73 1tkw s VAL 50 Cb 0.00 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1tkw s VAL 50 CO 0.00 0.30 0.86 -0.62 0.00 0.00 0.00 175.10 175.64 1tkw s ASP 51 N 0.15 6.50 0.53 3.32 2.15 -1.26 -4.92 116.67 123.13 1tkw s ASP 51 Ca 0.46 0.13 0.29 0.00 0.43 0.00 0.00 52.55 53.86 1tkw s ASP 51 Cb -0.22 -2.42 1.47 0.00 -0.30 0.00 0.00 42.92 41.44 1tkw s ASP 51 CO 0.28 -0.93 2.07 0.00 -0.17 0.00 0.00 175.17 176.42 1tkw h ALA 52 N 8.88 1.22 0.00 3.66 0.00 -1.94 -2.52 119.26 128.56 1tkw h ALA 52 Ca -0.24 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1tkw h ALA 52 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1tkw h ALA 52 CO 0.98 0.14 -0.18 0.66 0.00 0.00 0.00 179.25 180.85 1tkw h SER 53 N 0.00 0.00 1.61 0.00 4.64 -1.91 -2.15 113.55 115.74 1tkw h SER 53 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tkw h SER 53 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1tkw h SER 53 CO 0.01 0.18 -0.17 0.11 -0.87 0.00 0.00 176.83 176.09 1tkw h LYS 54 N 0.00 0.00 0.00 4.77 1.57 -1.87 -3.36 116.57 117.68 1tkw h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1tkw h LYS 54 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1tkw h LYS 54 CO 0.02 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.34 1tkw n ILE 55 N -2.69 0.40 -4.32 1.86 -5.35 -1.08 -5.02 119.36 103.18 1tkw n ILE 55 Ca 0.04 -0.62 -0.17 0.00 -0.27 0.00 0.00 62.75 61.73 1tkw n ILE 55 Cb 0.49 0.88 -0.10 0.00 -1.74 0.00 0.00 39.64 39.17 1tkw n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1tkw s SER 56 N -0.40 2.03 0.56 7.28 0.01 -0.83 -4.82 113.70 117.53 1tkw s SER 56 Ca 0.00 -1.12 -0.08 0.00 1.31 0.00 0.00 55.95 56.06 1tkw s SER 56 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1tkw s SER 56 CO 0.00 -0.38 0.92 -0.04 0.41 0.00 0.00 173.24 174.15 1tkw s MET 57 N -3.78 3.52 0.47 12.44 -1.94 -0.38 -4.85 119.30 124.78 1tkw s MET 57 Ca 0.24 0.47 -0.22 0.00 -1.71 0.00 0.00 55.69 54.47 1tkw s MET 57 Cb 0.03 -2.22 -0.08 0.00 2.01 0.00 0.00 34.83 34.58 1tkw s MET 57 CO 0.06 -0.43 1.08 0.45 -0.01 0.00 0.00 175.02 176.17 1tkw s SER 58 N -4.16 6.34 0.56 3.03 0.15 -1.26 -4.69 113.70 113.66 1tkw s SER 58 Ca 0.52 2.06 0.25 0.00 0.70 0.00 0.00 55.95 59.48 1tkw s SER 58 Cb -0.11 -2.58 1.49 0.00 -1.71 0.00 0.00 66.02 63.12 1tkw s SER 58 CO 0.50 -0.79 2.06 1.05 1.20 0.00 0.00 173.24 177.25 1tkw h GLU 59 N 1.85 0.00 -0.01 5.44 4.11 -1.96 0.11 114.58 124.12 1tkw h GLU 59 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1tkw h GLU 59 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1tkw h GLU 59 CO 0.60 0.00 -0.28 0.39 0.07 0.00 0.00 179.01 179.79 1tkw n GLU 60 N -4.13 0.69 -3.35 1.06 4.71 -1.26 -4.89 120.64 113.47 1tkw n GLU 60 Ca 0.04 -0.40 -0.35 0.00 -0.01 0.00 0.00 57.16 56.45 1tkw n GLU 60 Cb 0.41 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.29 1tkw n GLU 60 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1tkw s ASP 61 N -2.58 6.80 0.01 1.62 1.01 0.37 -5.09 116.67 118.80 1tkw s ASP 61 Ca 0.23 1.07 -0.03 0.00 0.71 0.00 0.00 52.55 54.53 1tkw s ASP 61 Cb 0.19 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 1tkw s ASP 61 CO 0.54 0.06 0.05 -0.76 0.21 0.00 0.00 175.17 175.27 1tkw s LEU 62 N -2.14 1.91 -0.45 1.23 1.43 -1.26 -4.73 118.68 114.66 1tkw s LEU 62 Ca 0.40 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.06 1tkw s LEU 62 Cb -0.14 0.32 0.05 0.00 0.03 0.00 0.00 46.19 46.44 1tkw s LEU 62 CO 0.19 -0.27 0.42 -0.76 0.23 0.00 0.00 176.35 176.17 1tkw s LEU 63 N -1.13 5.21 -0.02 1.79 1.43 0.32 -4.93 118.68 121.34 1tkw s LEU 63 Ca -0.12 -0.99 0.11 0.00 -1.03 0.00 0.00 54.13 52.09 1tkw s LEU 63 Cb -0.07 -2.27 0.32 0.00 0.03 0.00 0.00 46.19 44.20 1tkw s LEU 63 CO 0.00 -0.63 1.27 -0.46 0.23 0.00 0.00 176.35 176.76 1tkw n ASN 64 N 5.46 3.02 -4.19 2.29 6.94 -1.26 -1.66 115.26 125.86 1tkw n ASN 64 Ca -0.10 -2.14 -0.22 0.00 -0.02 0.00 0.00 54.58 52.10 1tkw n ASN 64 Cb 0.46 -0.27 -0.14 0.00 -2.36 0.00 0.00 39.78 37.47 1tkw n ASN 64 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tkw s ALA 65 N -1.25 1.42 0.21 -2.53 0.00 -1.26 -4.74 121.76 113.61 1tkw s ALA 65 Ca 0.25 -0.92 -0.32 0.00 0.00 0.00 0.00 51.96 50.97 1tkw s ALA 65 Cb 0.15 -0.25 -0.12 0.00 0.00 0.00 0.00 23.12 22.90 1tkw s ALA 65 CO 0.14 0.29 1.70 0.21 0.00 0.00 0.00 175.76 178.10 1tkw s LYS 66 N -1.15 4.13 0.00 0.00 2.20 -1.26 -2.24 119.74 121.43 1tkw s LYS 66 Ca 0.04 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.23 1tkw s LYS 66 Cb -0.08 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1tkw s LYS 66 CO 0.01 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 1tkw n GLY 67 N 3.86 2.02 3.78 5.54 0.00 -0.63 -5.00 105.19 114.76 1tkw n GLY 67 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1tkw n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tkw s GLU 68 N -0.90 4.16 0.13 1.61 2.02 -0.95 -4.59 118.70 120.18 1tkw s GLU 68 Ca 0.00 2.50 0.06 0.00 0.02 0.00 0.00 54.97 57.56 1tkw s GLU 68 Cb 0.00 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 1tkw s GLU 68 CO 0.00 -0.47 -0.15 0.95 0.02 0.00 0.00 175.26 175.61 1tkw s THR 69 N -1.06 1.44 -0.13 3.63 -4.23 -1.26 -0.41 115.64 113.62 1tkw s THR 69 Ca 0.53 -1.79 -0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1tkw s THR 69 Cb -0.45 -1.62 0.03 0.00 1.34 0.00 0.00 72.50 71.79 1tkw s THR 69 CO 0.60 -0.41 -0.07 0.12 -0.54 0.00 0.00 174.62 174.33 1tkw s PHE 70 N -2.18 1.54 -0.03 3.99 5.36 -0.14 -4.97 117.98 121.54 1tkw s PHE 70 Ca 0.11 -0.84 0.01 0.00 -0.96 0.00 0.00 56.93 55.25 1tkw s PHE 70 Cb -0.05 -1.25 -0.03 0.00 -0.34 0.00 0.00 43.02 41.35 1tkw s PHE 70 CO 0.04 -0.54 -0.03 -1.21 -1.46 0.00 0.00 175.22 172.02 1tkw s GLU 71 N 1.69 2.76 -0.09 10.12 2.02 -1.26 -1.38 118.70 132.56 1tkw s GLU 71 Ca 0.04 -0.59 -0.13 0.00 0.02 0.00 0.00 54.97 54.31 1tkw s GLU 71 Cb -0.13 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.49 1tkw s GLU 71 CO -0.08 0.64 0.34 0.54 0.02 0.00 0.00 175.26 176.72 1tkw s VAL 72 N -0.97 0.02 -0.15 2.63 0.11 -0.90 -4.96 120.40 116.18 1tkw s VAL 72 Ca 0.16 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1tkw s VAL 72 Cb -0.11 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1tkw s VAL 72 CO 0.06 -0.09 -0.18 0.00 -3.33 0.00 0.00 175.10 171.56 1tkw s ALA 73 N -0.35 2.40 -0.11 1.54 0.00 -1.26 -0.91 121.76 123.08 1tkw s ALA 73 Ca -0.05 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 1tkw s ALA 73 Cb -0.03 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 1tkw s ALA 73 CO 0.02 0.01 0.10 -0.51 0.00 0.00 0.00 175.76 175.37 1tkw s LEU 74 N 0.76 4.13 -0.05 0.00 1.43 -1.25 -4.86 118.68 118.84 1tkw s LEU 74 Ca -0.07 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1tkw s LEU 74 Cb -0.16 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1tkw s LEU 74 CO 0.00 0.40 -0.04 -1.54 0.23 0.00 0.00 176.35 175.39 1tkw n SER 75 N 2.00 3.29 -4.75 2.29 3.41 -1.26 0.11 113.62 118.71 1tkw n SER 75 Ca -0.19 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 57.99 1tkw n SER 75 Cb 0.54 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1tkw n SER 75 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1tkw s ASN 76 N -4.56 6.78 0.50 4.04 0.01 -1.26 -4.73 114.94 115.73 1tkw s ASN 76 Ca -0.06 2.57 -0.17 0.00 -0.71 0.00 0.00 52.86 54.49 1tkw s ASN 76 Cb 0.02 -2.62 -0.08 0.00 0.41 0.00 0.00 41.25 38.97 1tkw s ASN 76 CO 0.11 -0.59 0.98 -0.54 -1.51 0.00 0.00 177.10 175.55 1tkw s LYS 77 N -0.65 3.97 0.00 -0.60 -0.14 -1.26 -4.74 119.74 116.32 1tkw s LYS 77 Ca 0.56 0.99 0.00 0.00 -1.36 0.00 0.00 55.97 56.16 1tkw s LYS 77 Cb -0.39 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 33.62 1tkw s LYS 77 CO 0.44 -0.25 0.00 0.41 -0.76 0.00 0.00 175.35 175.19 1tkw n GLY 78 N -1.40 0.84 3.80 -3.33 0.00 -0.85 -4.83 105.19 99.42 1tkw n GLY 78 Ca 0.07 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 1tkw n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tkw s GLU 79 N -1.49 3.45 -0.17 1.61 2.02 -1.26 -1.25 118.70 121.60 1tkw s GLU 79 Ca 0.00 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1tkw s GLU 79 Cb 0.00 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 31.13 1tkw s GLU 79 CO 0.00 0.67 -0.18 0.71 0.02 0.00 0.00 175.26 176.48 1tkw s TYR 80 N -0.75 2.63 -0.19 1.61 1.51 0.58 -3.88 117.35 118.86 1tkw s TYR 80 Ca 0.13 -1.54 -0.13 0.00 -1.01 0.00 0.00 57.07 54.52 1tkw s TYR 80 Cb -0.12 -1.84 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 1tkw s TYR 80 CO 0.03 -0.77 0.25 -1.12 -1.11 0.00 0.00 175.55 172.83 1tkw s SER 81 N 1.34 6.34 0.26 2.29 0.01 -0.70 -1.24 113.70 122.01 1tkw s SER 81 Ca 0.05 0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.73 1tkw s SER 81 Cb -0.13 -2.16 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 1tkw s SER 81 CO -0.12 0.09 0.03 0.72 0.41 0.00 0.00 173.24 174.36 1tkw s PHE 82 N 0.65 1.69 0.17 2.43 -0.12 -0.61 -0.30 117.98 121.89 1tkw s PHE 82 Ca 0.14 -0.97 -0.23 0.00 -0.05 0.00 0.00 56.93 55.81 1tkw s PHE 82 Cb -0.13 -1.02 0.06 0.00 -0.63 0.00 0.00 43.02 41.30 1tkw s PHE 82 CO 0.03 -0.07 0.73 1.52 -0.05 0.00 0.00 175.22 177.38 1tkw s TYR 83 N -3.43 -0.34 -0.26 3.49 -0.85 -0.13 -1.82 117.35 114.01 1tkw s TYR 83 Ca 0.33 0.05 -0.15 0.00 -0.52 0.00 0.00 57.07 56.77 1tkw s TYR 83 Cb 0.07 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 1tkw s TYR 83 CO 0.12 -0.93 0.38 0.00 -1.52 0.00 0.00 175.55 173.60 1tkw h SER 85 N 8.03 -0.12 1.04 0.00 4.64 -1.91 0.29 113.55 125.51 1tkw h SER 85 Ca -0.32 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1tkw h SER 85 Cb 1.16 0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1tkw h SER 85 CO 0.66 -0.04 -0.15 1.55 -0.87 0.00 0.00 176.83 177.97 1tkw h PRO 86 N -0.00 0.00 -0.03 4.77 0.13 -1.94 -3.25 132.00 131.67 1tkw h PRO 86 Ca 0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 1tkw h PRO 86 Cb 0.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.22 1tkw h PRO 86 CO -0.13 0.15 -0.13 0.72 -0.23 0.00 0.00 178.00 178.39 1tkw n HIS 87 N -3.28 0.10 -0.25 1.56 8.25 -1.06 -4.74 115.22 115.80 1tkw n HIS 87 Ca 0.01 -1.14 -0.06 0.00 -0.26 0.00 0.00 57.72 56.27 1tkw n HIS 87 Cb 0.41 -0.20 0.05 0.00 1.12 0.00 0.00 29.99 31.37 1tkw n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1tkw h GLN 88 N 0.40 1.00 0.00 -0.41 4.15 -0.47 -1.72 115.11 118.05 1tkw h GLN 88 Ca 0.01 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 1tkw h GLN 88 Cb 1.05 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 1tkw h GLN 88 CO 0.03 0.78 -0.11 0.78 -1.93 0.00 0.00 178.83 178.38 1tkw h GLY 89 N 0.97 0.00 2.00 2.39 0.00 -1.85 -1.65 103.07 104.92 1tkw h GLY 89 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1tkw h GLY 89 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.51 1tkw h ALA 90 N 1.89 1.00 0.00 3.60 0.00 -1.66 -3.45 119.26 120.64 1tkw h ALA 90 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tkw h ALA 90 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tkw h ALA 90 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1tkw n GLY 91 N -0.14 0.97 3.54 0.00 0.00 -0.62 -4.99 105.19 103.94 1tkw n GLY 91 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1tkw n GLY 91 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1tkw n MET 92 N -1.76 2.77 -4.24 1.61 0.00 -0.99 -4.85 117.12 109.66 1tkw n MET 92 Ca 0.00 -3.04 -0.14 0.00 -0.00 0.00 0.00 57.70 54.53 1tkw n MET 92 Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 33.22 29.57 1tkw n MET 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1tkw s VAL 93 N 5.92 0.64 0.29 1.12 -7.23 -1.26 -2.26 120.40 117.61 1tkw s VAL 93 Ca 0.57 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.56 1tkw s VAL 93 Cb 0.03 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.84 1tkw s VAL 93 CO 0.09 -0.42 0.77 -0.83 -0.31 0.00 0.00 175.10 174.40 1tkw s GLY 94 N -3.18 0.01 -0.13 2.32 0.00 -0.75 -4.62 107.32 100.97 1tkw s GLY 94 Ca 0.25 -0.37 -0.06 0.00 0.00 0.00 0.00 44.72 44.54 1tkw s GLY 94 CO 0.05 -0.05 0.30 1.25 0.00 0.00 0.00 173.10 174.64 1tkw s LYS 95 N -3.41 0.26 -0.03 2.90 2.20 -0.43 -1.58 119.74 119.65 1tkw s LYS 95 Ca 0.13 0.63 0.05 0.00 -0.36 0.00 0.00 55.97 56.42 1tkw s LYS 95 Cb -0.05 -0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 1tkw s LYS 95 CO 0.08 -0.17 -0.17 0.54 -0.36 0.00 0.00 175.35 175.26 1tkw s VAL 96 N 1.42 2.85 -0.19 4.02 0.11 -0.37 -2.92 120.40 125.31 1tkw s VAL 96 Ca -0.08 -0.85 -0.02 0.00 -2.93 0.00 0.00 61.98 58.10 1tkw s VAL 96 Cb -0.10 -2.11 -0.00 0.00 -1.53 0.00 0.00 36.38 32.64 1tkw s VAL 96 CO -0.10 0.56 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.24 1tkw s THR 97 N -0.74 2.98 -0.42 5.04 2.01 -0.77 -0.31 115.64 123.43 1tkw s THR 97 Ca 0.12 -0.64 -0.19 0.00 0.31 0.00 0.00 61.69 61.29 1tkw s THR 97 Cb -0.10 -2.31 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1tkw s THR 97 CO 0.01 0.47 0.55 -0.69 -0.69 0.00 0.00 174.62 174.27 1tkw s VAL 98 N 1.20 4.95 0.00 3.82 1.01 -0.38 -1.51 120.40 129.49 1tkw s VAL 98 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1tkw s VAL 98 Cb -0.14 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1tkw s VAL 98 CO -0.04 -0.48 0.39 -0.46 0.00 0.00 0.00 175.10 174.51