#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dls n SER 2 N 0.00 -1.19 -4.77 1.61 3.41 -1.26 -4.84 113.62 106.58 2dls n SER 2 Ca 0.00 -0.96 -0.40 0.00 -0.26 0.00 0.00 58.87 57.26 2dls n SER 2 Cb 0.00 -1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 62.67 2dls n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dls s SER 3 N -2.85 7.29 0.00 4.04 0.01 -1.26 -4.88 113.70 116.05 2dls s SER 3 Ca 0.58 1.53 0.00 0.00 1.31 0.00 0.00 55.95 59.37 2dls s SER 3 Cb -0.34 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.42 2dls s SER 3 CO 0.79 0.13 0.00 0.61 0.41 0.00 0.00 173.24 175.18 2dls n GLY 4 N 1.94 0.16 1.09 3.44 0.00 -1.26 -4.61 105.19 105.96 2dls n GLY 4 Ca -0.05 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2dls n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dls n SER 5 N 0.00 0.96 -4.31 1.61 2.88 -1.26 -5.05 113.62 108.44 2dls n SER 5 Ca 0.00 0.14 -0.33 0.00 -1.33 0.00 0.00 58.87 57.36 2dls n SER 5 Cb 0.00 -0.27 -0.15 0.00 -0.75 0.00 0.00 64.21 63.03 2dls n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dls s SER 6 N -5.86 3.68 0.54 -3.46 0.01 -1.26 -5.05 113.70 102.31 2dls s SER 6 Ca 0.00 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2dls s SER 6 Cb 0.00 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2dls s SER 6 CO 0.00 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2dls n GLY 7 N 3.55 -1.53 2.99 3.44 0.00 -1.26 -4.89 105.19 107.49 2dls n GLY 7 Ca -0.18 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 2dls n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dls s VAL 8 N -0.66 0.80 0.03 1.61 0.11 -1.26 -4.80 120.40 116.23 2dls s VAL 8 Ca 0.00 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 2dls s VAL 8 Cb 0.00 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 2dls s VAL 8 CO 0.00 0.26 0.07 0.00 -3.33 0.00 0.00 175.10 172.10 2dls s GLN 9 N 0.35 2.94 0.14 1.54 -2.07 -1.26 -3.03 119.66 118.27 2dls s GLN 9 Ca -0.06 -0.59 0.08 0.00 -1.82 0.00 0.00 55.36 52.97 2dls s GLN 9 Cb -0.10 -2.77 -0.04 0.00 -1.09 0.00 0.00 33.01 29.00 2dls s GLN 9 CO 0.01 0.61 -0.09 0.50 -1.32 0.00 0.00 175.29 175.00 2dls s ARG 10 N -1.98 2.12 -0.49 9.60 6.06 0.56 -4.94 118.95 129.89 2dls s ARG 10 Ca 0.25 -1.13 -0.15 0.00 -2.50 0.00 0.00 55.73 52.20 2dls s ARG 10 Cb -0.12 -2.25 0.09 0.00 0.06 0.00 0.00 34.95 32.73 2dls s ARG 10 CO 0.17 0.47 0.42 0.00 -2.50 0.00 0.00 175.30 173.86 2dls s VAL 12 N 1.62 5.28 -0.04 0.00 0.11 0.20 -4.90 120.40 122.67 2dls s VAL 12 Ca 0.04 0.44 0.07 0.00 -2.93 0.00 0.00 61.98 59.59 2dls s VAL 12 Cb -0.26 -3.56 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 2dls s VAL 12 CO 0.05 0.54 -0.25 -0.63 -3.33 0.00 0.00 175.10 171.48 2dls s ILE 13 N -1.12 2.10 0.03 7.04 -1.09 -1.26 -0.13 121.20 126.76 2dls s ILE 13 Ca 0.21 -1.08 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 2dls s ILE 13 Cb -0.14 -1.74 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 2dls s ILE 13 CO 0.10 0.58 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.69 2dls s ILE 14 N -0.45 0.50 0.13 2.92 1.01 -1.16 -4.90 121.20 119.25 2dls s ILE 14 Ca 0.05 -0.77 0.10 0.00 0.00 0.00 0.00 60.65 60.04 2dls s ILE 14 Cb -0.11 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 2dls s ILE 14 CO 0.01 -0.20 -0.25 0.00 0.00 0.00 0.00 174.94 174.50 2dls s GLN 15 N -1.04 1.33 0.31 2.79 0.00 -1.26 -0.68 119.66 121.10 2dls s GLN 15 Ca -0.05 -1.31 -0.14 0.00 -0.00 0.00 0.00 55.36 53.86 2dls s GLN 15 Cb -0.07 -1.74 -0.08 0.00 0.00 0.00 0.00 33.01 31.12 2dls s GLN 15 CO 0.00 0.41 0.70 -1.59 0.00 0.00 0.00 175.29 174.81 2dls s LYS 16 N -2.08 3.95 0.47 9.60 -2.85 -1.18 -4.52 119.74 123.13 2dls s LYS 16 Ca 0.12 0.58 0.00 0.00 -1.00 0.00 0.00 55.97 55.67 2dls s LYS 16 Cb -0.10 -2.47 -0.00 0.00 -2.06 0.00 0.00 37.83 33.20 2dls s LYS 16 CO 0.06 0.18 0.01 -0.40 0.10 0.00 0.00 175.35 175.29 2dls n ASP 17 N -0.38 3.18 -0.28 0.03 5.68 0.04 -4.89 116.55 119.94 2dls n ASP 17 Ca 0.03 -3.07 0.13 0.00 -0.50 0.00 0.00 54.79 51.38 2dls n ASP 17 Cb 0.53 0.37 0.25 0.00 -1.14 0.00 0.00 41.12 41.13 2dls n ASP 17 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 2dls n GLN 18 N -1.16 -0.06 0.06 0.11 0.00 -1.26 0.71 117.38 115.78 2dls n GLN 18 Ca -0.19 1.22 -0.21 0.00 -0.00 0.00 0.00 57.00 57.82 2dls n GLN 18 Cb 0.60 -1.94 -0.14 0.00 0.00 0.00 0.00 30.24 28.75 2dls n GLN 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dls h HIS 19 N 0.00 0.68 0.00 3.69 3.86 -2.02 -3.50 115.15 117.86 2dls h HIS 19 Ca 0.50 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2dls h HIS 19 Cb 1.04 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.48 2dls h HIS 19 CO -0.40 1.34 0.00 0.41 0.86 0.00 0.00 177.93 180.14 2dls n GLY 20 N 1.54 0.43 0.07 2.45 0.00 0.22 -4.98 105.19 104.92 2dls n GLY 20 Ca -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 2dls n GLY 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2dls h PHE 21 N 0.00 -0.13 0.00 1.61 0.04 -1.84 0.16 116.94 116.78 2dls h PHE 21 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2dls h PHE 21 Cb 0.00 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2dls h PHE 21 CO 0.00 -0.08 0.00 0.41 -0.60 0.00 0.00 178.31 178.04 2dls n GLY 22 N 1.10 3.52 3.72 -1.45 0.00 -1.26 -1.94 105.19 108.88 2dls n GLY 22 Ca -0.02 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 2dls n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dls s PHE 23 N 0.00 3.71 0.14 1.61 -0.71 -1.26 -3.02 117.98 118.45 2dls s PHE 23 Ca 0.00 1.66 0.11 0.00 -1.04 0.00 0.00 56.93 57.66 2dls s PHE 23 Cb 0.00 -3.03 -0.04 0.00 -1.21 0.00 0.00 43.02 38.74 2dls s PHE 23 CO 0.00 0.11 -0.24 0.95 -1.34 0.00 0.00 175.22 174.70 2dls s THR 24 N 0.51 2.44 0.05 -4.49 -4.23 -0.43 -5.01 115.64 104.48 2dls s THR 24 Ca 0.47 -1.74 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 2dls s THR 24 Cb -0.21 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 2dls s THR 24 CO 0.27 0.06 -0.23 0.68 -0.54 0.00 0.00 174.62 174.86 2dls s VAL 25 N -1.18 1.87 0.00 2.29 -7.23 -1.26 -0.69 120.40 114.20 2dls s VAL 25 Ca 0.16 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 2dls s VAL 25 Cb -0.10 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.23 2dls s VAL 25 CO 0.08 0.26 0.43 -0.24 -0.31 0.00 0.00 175.10 175.33 2dls n SER 26 N 1.79 0.67 -4.65 4.85 2.88 -1.20 -4.91 113.62 113.04 2dls n SER 26 Ca -0.17 -1.19 -0.43 0.00 -1.33 0.00 0.00 58.87 55.75 2dls n SER 26 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2dls n SER 26 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dls s GLY 27 N -0.19 1.51 -0.06 0.46 0.00 -1.26 -4.93 107.32 102.85 2dls s GLY 27 Ca 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 44.72 45.03 2dls s GLY 27 CO 0.00 2.64 0.42 -0.55 0.00 0.00 0.00 173.10 175.62 2dls h ASP 28 N 8.96 -0.31 0.16 1.64 5.19 -1.96 -3.27 116.42 126.84 2dls h ASP 28 Ca -0.29 0.01 -0.26 0.00 -0.62 0.00 0.00 57.03 55.87 2dls h ASP 28 Cb 1.12 0.08 0.02 0.00 0.18 0.00 0.00 39.33 40.72 2dls h ASP 28 CO 0.99 0.15 -1.21 0.03 -3.12 0.00 0.00 179.24 176.08 2dls h ARG 29 N -1.10 0.34 -3.51 3.56 -0.00 -1.92 -3.09 114.38 108.66 2dls h ARG 29 Ca -0.04 -0.58 -0.64 0.00 -0.50 0.00 0.00 59.98 58.22 2dls h ARG 29 Cb 0.28 0.22 -0.41 0.00 0.00 0.00 0.00 29.97 30.06 2dls h ARG 29 CO 0.06 1.28 -0.66 0.42 0.00 0.00 0.00 179.97 181.07 2dls s ILE 30 N -2.49 2.34 -0.38 2.04 -1.09 -1.26 -2.81 121.20 117.55 2dls s ILE 30 Ca -0.15 -3.04 -0.39 0.00 -2.23 0.00 0.00 60.65 54.84 2dls s ILE 30 Cb 0.03 -2.65 -0.15 0.00 -1.58 0.00 0.00 42.46 38.12 2dls s ILE 30 CO 0.84 -0.78 2.06 0.52 -1.23 0.00 0.00 174.94 176.35 2dls n VAL 31 N 3.36 0.16 -4.30 2.92 0.31 -1.23 -4.42 118.33 115.13 2dls n VAL 31 Ca 0.05 -0.14 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 2dls n VAL 31 Cb 0.34 -1.22 -0.13 0.00 -0.91 0.00 0.00 33.84 31.93 2dls n VAL 31 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2dls s LEU 32 N 6.00 2.25 -0.23 7.52 1.43 -1.26 -3.26 118.68 131.12 2dls s LEU 32 Ca 1.10 -0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 2dls s LEU 32 Cb -1.09 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2dls s LEU 32 CO 0.58 0.01 1.65 -0.69 0.23 0.00 0.00 176.35 178.14 2dls s VAL 33 N -1.09 3.65 -0.11 -1.59 1.01 -1.13 -3.27 120.40 117.87 2dls s VAL 33 Ca 0.02 0.72 -0.16 0.00 0.00 0.00 0.00 61.98 62.56 2dls s VAL 33 Cb -0.09 -3.68 -0.26 0.00 0.00 0.00 0.00 36.38 32.34 2dls s VAL 33 CO 0.03 -0.31 0.53 -0.61 0.00 0.00 0.00 175.10 174.74 2dls h GLN 34 N 11.05 0.22 -3.56 2.72 4.15 -1.26 -3.21 115.11 125.22 2dls h GLN 34 Ca -0.34 -0.37 -0.12 0.00 0.77 0.00 0.00 58.65 58.59 2dls h GLN 34 Cb 1.16 0.14 -0.18 0.00 0.21 0.00 0.00 27.48 28.81 2dls h GLN 34 CO 1.00 1.18 -0.42 -1.12 -1.93 0.00 0.00 178.83 177.54 2dls s SER 35 N -6.99 0.04 -0.05 -0.69 0.01 -1.19 -4.91 113.70 99.91 2dls s SER 35 Ca -0.21 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 2dls s SER 35 Cb 0.04 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.57 2dls s SER 35 CO 0.75 -0.52 0.01 -0.69 0.41 0.00 0.00 173.24 173.20 2dls s VAL 36 N -2.35 0.27 0.23 3.43 1.01 -1.26 -1.31 120.40 120.42 2dls s VAL 36 Ca -0.07 0.14 -0.32 0.00 0.00 0.00 0.00 61.98 61.73 2dls s VAL 36 Cb -0.02 -0.42 -0.13 0.00 0.00 0.00 0.00 36.38 35.81 2dls s VAL 36 CO -0.03 0.22 1.48 -1.14 0.00 0.00 0.00 175.10 175.63 2dls n ARG 37 N 4.84 2.15 0.00 2.72 0.00 -1.17 -4.83 116.66 120.37 2dls n ARG 37 Ca -0.12 0.77 0.05 0.00 -0.00 0.00 0.00 57.85 58.54 2dls n ARG 37 Cb 0.50 -2.47 0.29 0.00 0.00 0.00 0.00 32.46 30.78 2dls n ARG 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2dls n PRO 38 N 2.41 0.49 -2.40 -0.14 -0.04 -1.26 -3.24 135.00 130.81 2dls n PRO 38 Ca 0.13 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 2dls n PRO 38 Cb 0.31 -1.32 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 2dls n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dls n GLY 39 N -0.02 1.62 0.00 0.55 0.00 -1.26 -5.08 105.19 101.00 2dls n GLY 39 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2dls n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dls n GLY 40 N -1.27 2.19 0.12 -0.02 0.00 -1.20 -5.06 105.19 99.95 2dls n GLY 40 Ca -0.17 -1.90 -0.16 0.00 0.00 0.00 0.00 46.02 43.78 2dls n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dls n ALA 41 N -3.00 1.27 0.20 4.61 0.00 -0.82 -4.24 120.51 118.54 2dls n ALA 41 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 53.44 52.39 2dls n ALA 41 Cb 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 2dls n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dls h ALA 42 N 0.37 -0.47 -0.70 0.00 0.00 -1.86 -3.01 119.26 113.58 2dls h ALA 42 Ca -0.47 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.44 2dls h ALA 42 Cb 2.03 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 19.87 2dls h ALA 42 CO 0.02 -0.72 -0.31 1.98 0.00 0.00 0.00 179.25 180.22 2dls h MET 43 N -0.56 -0.09 -0.98 0.00 -1.53 -1.78 0.55 114.93 110.54 2dls h MET 43 Ca -0.05 0.01 0.22 0.00 -3.44 0.00 0.00 59.70 56.43 2dls h MET 43 Cb 0.42 0.02 -0.09 0.00 -0.55 0.00 0.00 31.60 31.40 2dls h MET 43 CO 0.08 -0.06 0.62 0.87 0.14 0.00 0.00 176.91 178.56 2dls h LYS 44 N -0.09 0.51 0.00 0.39 1.57 -1.71 0.62 116.57 117.85 2dls h LYS 44 Ca 0.29 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2dls h LYS 44 Cb 0.56 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2dls h LYS 44 CO -0.76 0.34 -0.18 0.00 -0.57 0.00 0.00 179.45 178.28 2dls h ALA 45 N 1.62 1.15 0.00 3.86 0.00 0.21 -3.46 119.26 122.64 2dls h ALA 45 Ca 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2dls h ALA 45 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2dls h ALA 45 CO -0.28 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2dls n GLY 46 N -0.27 1.46 3.68 0.00 0.00 0.22 -5.06 105.19 105.22 2dls n GLY 46 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2dls n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dls s VAL 47 N -2.00 5.08 0.34 1.61 1.01 -1.19 -5.03 120.40 120.22 2dls s VAL 47 Ca 0.00 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.17 2dls s VAL 47 Cb 0.00 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 2dls s VAL 47 CO 0.00 0.20 -0.01 -0.54 0.00 0.00 0.00 175.10 174.75 2dls s LYS 48 N 1.38 1.75 0.10 2.72 1.02 -1.26 -4.47 119.74 120.98 2dls s LYS 48 Ca 0.29 -1.94 -0.31 0.00 0.02 0.00 0.00 55.97 54.02 2dls s LYS 48 Cb -0.16 -1.31 -0.10 0.00 -0.52 0.00 0.00 37.83 35.74 2dls s LYS 48 CO 0.11 -0.03 1.89 0.39 -0.92 0.00 0.00 175.35 176.79 2dls n GLU 49 N -0.76 2.85 0.00 1.68 1.02 -1.26 -2.69 120.64 121.48 2dls n GLU 49 Ca -0.04 1.04 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 2dls n GLU 49 Cb 0.65 -2.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 2dls n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dls n GLY 50 N 4.35 1.01 3.72 0.62 0.00 -1.21 -5.02 105.19 108.66 2dls n GLY 50 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2dls n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dls s ASP 51 N -0.34 7.34 -0.10 1.61 1.01 -1.10 -4.90 116.67 120.20 2dls s ASP 51 Ca 0.00 1.61 -0.05 0.00 0.71 0.00 0.00 52.55 54.82 2dls s ASP 51 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2dls s ASP 51 CO 0.00 -0.14 0.08 -0.60 0.21 0.00 0.00 175.17 174.72 2dls s ARG 52 N 0.52 3.24 -0.21 8.23 3.52 -1.26 -2.85 118.95 130.14 2dls s ARG 52 Ca 0.47 -0.26 -0.05 0.00 -0.13 0.00 0.00 55.73 55.76 2dls s ARG 52 Cb -0.21 -3.02 -0.02 0.00 -1.56 0.00 0.00 34.95 30.14 2dls s ARG 52 CO 0.27 0.74 -0.01 0.42 -0.81 0.00 0.00 175.30 175.91 2dls s ILE 53 N -0.99 3.79 -0.25 4.11 1.01 -1.20 -3.83 121.20 123.83 2dls s ILE 53 Ca 0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 2dls s ILE 53 Cb -0.12 -2.72 -0.13 0.00 0.01 0.00 0.00 42.46 39.50 2dls s ILE 53 CO 0.04 0.42 -0.29 -0.38 0.00 0.00 0.00 174.94 174.73 2dls n ILE 54 N 4.50 1.40 -4.90 2.92 5.41 -0.84 -4.67 119.36 123.18 2dls n ILE 54 Ca -0.17 -0.43 -0.31 0.00 1.00 0.00 0.00 62.75 62.84 2dls n ILE 54 Cb 0.51 -1.66 -0.14 0.00 -0.71 0.00 0.00 39.64 37.64 2dls n ILE 54 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2dls s LYS 55 N -2.48 2.18 -0.22 0.38 2.20 -1.25 -2.48 119.74 118.08 2dls s LYS 55 Ca -0.35 -0.90 -0.05 0.00 -0.36 0.00 0.00 55.97 54.32 2dls s LYS 55 Cb 0.12 -2.19 0.08 0.00 -1.51 0.00 0.00 37.83 34.32 2dls s LYS 55 CO 0.49 0.57 0.11 0.08 -0.36 0.00 0.00 175.35 176.24 2dls s VAL 56 N -0.78 -0.08 -1.42 4.02 1.01 -0.68 -1.60 120.40 120.86 2dls s VAL 56 Ca 0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2dls s VAL 56 Cb -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2dls s VAL 56 CO 0.02 -0.45 0.32 0.59 0.00 0.00 0.00 175.10 175.58 2dls n ASN 57 N 5.27 -5.40 0.00 3.32 4.13 -0.83 -1.75 115.26 120.00 2dls n ASN 57 Ca -0.07 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.04 2dls n ASN 57 Cb 0.46 -4.33 0.00 0.00 -1.54 0.00 0.00 39.78 34.37 2dls n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dls n GLY 58 N -1.26 3.02 3.57 7.41 0.00 -1.26 -4.99 105.19 111.67 2dls n GLY 58 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2dls n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dls s THR 59 N -1.59 5.14 0.26 2.61 2.01 -0.72 -5.05 115.64 118.30 2dls s THR 59 Ca 0.00 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2dls s THR 59 Cb 0.00 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.60 2dls s THR 59 CO 0.00 -0.03 1.39 0.00 -0.69 0.00 0.00 174.62 175.29 2dls s MET 60 N 2.11 4.30 0.00 4.92 0.23 -1.26 -1.69 119.30 127.91 2dls s MET 60 Ca 0.14 2.25 0.07 0.00 -1.03 0.00 0.00 55.69 57.13 2dls s MET 60 Cb -0.16 -3.11 0.20 0.00 -1.53 0.00 0.00 34.83 30.23 2dls s MET 60 CO 0.11 -0.34 1.15 1.33 -2.03 0.00 0.00 175.02 175.24 2dls n VAL 61 N 2.01 0.94 -1.59 5.16 0.24 -1.03 -4.91 118.33 119.14 2dls n VAL 61 Ca 0.05 -0.97 -0.49 0.00 -2.04 0.00 0.00 64.34 60.89 2dls n VAL 61 Cb 0.41 0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 33.27 2dls n VAL 61 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2dls n THR 62 N 0.21 0.67 -3.66 3.34 -2.24 -1.25 -1.55 114.28 109.80 2dls n THR 62 Ca 0.08 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 2dls n THR 62 Cb 0.36 -0.93 0.05 0.00 -2.10 0.00 0.00 70.33 67.71 2dls n THR 62 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2dls n ASN 63 N 2.19 -2.11 -4.13 3.42 3.02 -1.12 -5.00 115.26 111.53 2dls n ASN 63 Ca 0.15 -0.76 -0.21 0.00 -0.03 0.00 0.00 54.58 53.74 2dls n ASN 63 Cb 0.24 -4.32 -0.14 0.00 -0.61 0.00 0.00 39.78 34.95 2dls n ASN 63 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dls s SER 64 N -4.17 1.70 0.28 6.41 0.15 -0.59 -4.99 113.70 112.48 2dls s SER 64 Ca 0.12 -0.36 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 2dls s SER 64 Cb -0.06 -0.15 -0.11 0.00 -1.71 0.00 0.00 66.02 63.99 2dls s SER 64 CO 0.79 0.11 1.53 -0.94 1.20 0.00 0.00 173.24 175.93 2dls s SER 65 N -0.74 6.48 0.25 5.45 1.04 -1.17 -4.38 113.70 120.62 2dls s SER 65 Ca 0.04 2.85 -0.05 0.00 0.48 0.00 0.00 55.95 59.27 2dls s SER 65 Cb -0.07 -2.63 0.45 0.00 0.10 0.00 0.00 66.02 63.87 2dls s SER 65 CO 0.00 -0.83 1.33 1.57 0.98 0.00 0.00 173.24 176.30 2dls n HIS 66 N 2.14 0.36 0.06 5.02 -0.00 -1.23 -0.26 115.22 121.32 2dls n HIS 66 Ca 0.07 1.04 -0.14 0.00 0.46 0.00 0.00 57.72 59.15 2dls n HIS 66 Cb 0.39 -1.03 -0.09 0.00 -0.12 0.00 0.00 29.99 29.14 2dls n HIS 66 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2dls h LEU 67 N 0.00 -1.49 -0.99 0.27 4.07 -1.91 -0.58 115.31 114.68 2dls h LEU 67 Ca 0.43 0.17 0.33 0.00 0.08 0.00 0.00 57.88 58.89 2dls h LEU 67 Cb 0.72 0.56 -0.16 0.00 1.08 0.00 0.00 40.66 42.87 2dls h LEU 67 CO -0.86 -0.48 0.50 -0.33 -1.08 0.00 0.00 178.44 176.19 2dls h GLU 68 N -0.62 0.22 0.29 1.13 4.39 -0.98 0.10 114.58 119.12 2dls h GLU 68 Ca 0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2dls h GLU 68 Cb 0.66 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2dls h GLU 68 CO -0.31 0.15 -0.14 0.28 -1.16 0.00 0.00 179.01 177.82 2dls h VAL 69 N 0.23 0.75 -0.94 3.13 2.07 -0.77 -3.12 116.25 117.60 2dls h VAL 69 Ca 0.73 -0.35 0.19 0.00 0.82 0.00 0.00 66.70 68.09 2dls h VAL 69 Cb 1.71 0.94 -0.18 0.00 -1.52 0.00 0.00 31.29 32.25 2dls h VAL 69 CO -0.66 0.07 -0.24 0.52 0.02 0.00 0.00 177.57 177.28 2dls n VAL 70 N -5.18 -0.40 -0.33 2.57 0.31 0.35 0.96 118.33 116.61 2dls n VAL 70 Ca -0.10 2.16 0.23 0.00 -0.01 0.00 0.00 64.34 66.61 2dls n VAL 70 Cb 0.23 -2.98 0.44 0.00 -0.91 0.00 0.00 33.84 30.62 2dls n VAL 70 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2dls h LYS 71 N 0.00 0.07 -0.34 5.55 6.56 -1.45 0.92 116.57 127.88 2dls h LYS 71 Ca 0.44 -0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.86 2dls h LYS 71 Cb 0.68 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2dls h LYS 71 CO -0.97 0.05 -0.46 -0.07 -2.06 0.00 0.00 179.45 175.94 2dls h LEU 72 N 0.07 0.98 0.17 2.94 3.38 0.46 -3.03 115.31 120.28 2dls h LEU 72 Ca 0.71 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2dls h LEU 72 Cb 1.69 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.16 2dls h LEU 72 CO -0.79 1.28 -0.08 0.40 0.09 0.00 0.00 178.44 179.34 2dls h ILE 73 N 0.72 0.00 -1.00 1.22 2.04 0.11 -3.17 117.51 117.44 2dls h ILE 73 Ca 0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.07 2dls h ILE 73 Cb 1.06 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.97 2dls h ILE 73 CO 0.11 0.00 -0.33 0.29 0.00 0.00 0.00 178.15 178.22 2dls n LYS 74 N -2.62 -0.17 -1.48 2.37 5.02 -0.38 -4.27 118.16 116.62 2dls n LYS 74 Ca -0.03 1.54 -0.43 0.00 -2.02 0.00 0.00 58.31 57.37 2dls n LYS 74 Cb 0.09 -2.29 -0.12 0.00 -0.02 0.00 0.00 35.03 32.69 2dls n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dls n SER 75 N -5.53 0.91 0.00 4.39 2.88 -1.14 -4.45 113.62 110.67 2dls n SER 75 Ca 0.13 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2dls n SER 75 Cb 0.44 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2dls n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dls n GLY 76 N 6.53 0.52 0.14 0.46 0.00 -1.26 -4.78 105.19 106.79 2dls n GLY 76 Ca 0.57 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 2dls n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dls h ALA 77 N 0.00 -0.25 -1.29 4.61 0.00 -1.88 -3.45 119.26 116.99 2dls h ALA 77 Ca 0.00 -0.15 -0.50 0.00 0.00 0.00 0.00 54.91 54.27 2dls h ALA 77 Cb 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2dls h ALA 77 CO 0.00 -0.52 -0.32 1.52 0.00 0.00 0.00 179.25 179.92 2dls s TYR 78 N -5.17 2.42 -0.04 0.00 -0.85 -1.26 -3.08 117.35 109.37 2dls s TYR 78 Ca -0.15 -0.56 -0.01 0.00 -0.52 0.00 0.00 57.07 55.84 2dls s TYR 78 Cb 0.03 -2.16 0.03 0.00 0.38 0.00 0.00 41.96 40.24 2dls s TYR 78 CO 0.62 -0.31 0.03 0.54 -1.52 0.00 0.00 175.55 174.90 2dls s VAL 79 N -2.52 0.09 0.14 -3.49 0.11 0.15 -4.93 120.40 109.95 2dls s VAL 79 Ca 0.48 0.23 -0.28 0.00 -2.93 0.00 0.00 61.98 59.48 2dls s VAL 79 Cb -0.04 -0.26 -0.07 0.00 -1.53 0.00 0.00 36.38 34.48 2dls s VAL 79 CO 0.29 0.18 0.89 0.00 -3.33 0.00 0.00 175.10 173.12 2dls s ALA 80 N 1.65 3.33 0.08 1.54 0.00 -1.26 -2.96 121.76 124.13 2dls s ALA 80 Ca -0.01 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2dls s ALA 80 Cb -0.13 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2dls s ALA 80 CO -0.03 0.11 -0.07 -0.51 0.00 0.00 0.00 175.76 175.26 2dls s LEU 81 N -0.54 2.41 -0.30 0.00 1.43 0.81 -1.96 118.68 120.53 2dls s LEU 81 Ca 0.42 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2dls s LEU 81 Cb -0.24 -0.13 0.09 0.00 0.03 0.00 0.00 46.19 45.95 2dls s LEU 81 CO 0.29 -0.36 0.06 -0.89 0.23 0.00 0.00 176.35 175.68 2dls s THR 82 N -2.73 1.25 0.13 5.49 2.01 -0.63 0.62 115.64 121.78 2dls s THR 82 Ca 0.04 -1.54 -0.08 0.00 0.31 0.00 0.00 61.69 60.42 2dls s THR 82 Cb -0.01 -1.88 -0.06 0.00 0.01 0.00 0.00 72.50 70.57 2dls s THR 82 CO -0.03 -0.56 0.42 -0.76 -0.69 0.00 0.00 174.62 173.01 2dls s LEU 83 N 1.44 4.29 -0.18 4.42 1.43 -0.21 -2.00 118.68 127.88 2dls s LEU 83 Ca 0.07 0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 53.89 2dls s LEU 83 Cb -0.18 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 2dls s LEU 83 CO -0.18 0.08 -0.04 -0.22 0.23 0.00 0.00 176.35 176.22 2dls s LEU 84 N -2.34 3.10 -0.14 1.79 0.20 -1.25 -0.32 118.68 119.72 2dls s LEU 84 Ca 0.39 -0.23 -0.29 0.00 0.69 0.00 0.00 54.13 54.69 2dls s LEU 84 Cb -0.13 -1.76 -0.07 0.00 -0.43 0.00 0.00 46.19 43.81 2dls s LEU 84 CO 0.21 0.11 2.14 0.61 -0.29 0.00 0.00 176.35 179.13 2dls n GLY 85 N 3.96 1.28 3.85 7.98 0.00 -1.17 -4.81 105.19 116.28 2dls n GLY 85 Ca -0.18 0.80 -0.29 0.00 0.00 0.00 0.00 46.02 46.35 2dls n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dls s SER 86 N 7.02 3.81 -0.10 1.61 0.15 -1.26 -4.76 113.70 120.17 2dls s SER 86 Ca 0.97 0.78 -0.19 0.00 0.70 0.00 0.00 55.95 58.21 2dls s SER 86 Cb -0.39 -1.24 0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2dls s SER 86 CO 0.38 -2.35 0.47 -0.94 1.20 0.00 0.00 173.24 172.01 2dls s SER 87 N -4.38 -0.44 0.49 5.45 1.04 -1.26 -5.15 113.70 109.46 2dls s SER 87 Ca 0.65 0.63 -0.24 0.00 0.48 0.00 0.00 55.95 57.46 2dls s SER 87 Cb -0.12 0.67 -0.07 0.00 0.10 0.00 0.00 66.02 66.60 2dls s SER 87 CO 0.51 -0.36 1.42 -0.44 0.98 0.00 0.00 173.24 175.35 2dls s SER 88 N -0.60 5.59 0.48 7.02 0.01 -1.26 -4.95 113.70 120.00 2dls s SER 88 Ca -0.07 2.90 -0.22 0.00 1.31 0.00 0.00 55.95 59.86 2dls s SER 88 Cb -0.03 -2.65 -0.07 0.00 0.21 0.00 0.00 66.02 63.48 2dls s SER 88 CO 0.04 -1.37 1.21 -0.83 0.41 0.00 0.00 173.24 172.70 2dls s GLY 89 N -0.64 2.80 0.29 3.44 0.00 -1.26 -4.94 107.32 107.01 2dls s GLY 89 Ca 0.65 1.02 0.08 0.00 0.00 0.00 0.00 44.72 46.48 2dls s GLY 89 CO 0.54 1.49 1.68 -0.56 0.00 0.00 0.00 173.10 176.25 2dls h PRO 90 N 1.87 0.15 -4.36 2.90 0.13 -2.07 -3.46 132.00 127.16 2dls h PRO 90 Ca -0.50 -0.08 -0.57 0.00 -0.87 0.00 0.00 66.00 63.99 2dls h PRO 90 Cb 1.26 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.43 2dls h PRO 90 CO 0.59 0.60 -0.00 0.43 -0.23 0.00 0.00 178.00 179.39 2dls n SER 91 N -3.97 -0.10 -4.27 1.44 7.64 -1.26 -4.94 113.62 108.16 2dls n SER 91 Ca -0.02 0.84 -0.26 0.00 1.01 0.00 0.00 58.87 60.45 2dls n SER 91 Cb 0.51 -0.67 -0.14 0.00 -1.01 0.00 0.00 64.21 62.91 2dls n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dls s SER 92 N -0.07 2.56 0.00 6.43 0.01 -1.26 -5.23 113.70 116.13 2dls s SER 92 Ca 0.64 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2dls s SER 92 Cb -0.90 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2dls s SER 92 CO 0.41 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.82