#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dls s SER 2 N 0.00 1.37 -0.14 1.61 0.15 -1.26 -5.06 113.70 110.37 2dls s SER 2 Ca 0.00 -0.21 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 2dls s SER 2 Cb 0.00 -0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 63.98 2dls s SER 2 CO 0.00 0.10 -0.27 -0.24 1.20 0.00 0.00 173.24 174.03 2dls n SER 3 N 3.09 1.56 0.00 5.45 2.88 -1.26 -5.07 113.62 120.26 2dls n SER 3 Ca -0.16 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2dls n SER 3 Cb 0.55 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 2dls n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dls n GLY 4 N 1.48 -0.45 3.15 0.46 0.00 -1.26 -5.13 105.19 103.45 2dls n GLY 4 Ca -0.11 0.71 -0.52 0.00 0.00 0.00 0.00 46.02 46.10 2dls n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dls n SER 5 N 0.00 -0.21 -3.54 1.61 7.64 -1.26 -4.95 113.62 112.91 2dls n SER 5 Ca 0.00 1.05 -0.15 0.00 1.01 0.00 0.00 58.87 60.77 2dls n SER 5 Cb 0.00 -0.84 -0.12 0.00 -1.01 0.00 0.00 64.21 62.24 2dls n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dls s SER 6 N -0.16 0.83 0.00 6.43 0.15 -1.26 -5.12 113.70 114.56 2dls s SER 6 Ca 0.78 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2dls s SER 6 Cb -1.09 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 2dls s SER 6 CO 0.51 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2dls n GLY 7 N 5.34 4.58 3.74 9.45 0.00 -1.26 -4.38 105.19 122.66 2dls n GLY 7 Ca -0.05 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.88 3.99 -0.10 1.61 0.11 -1.26 -4.83 120.40 118.04 2dls s VAL 8 Ca 0.00 1.77 -0.12 0.00 -2.93 0.00 0.00 61.98 60.70 2dls s VAL 8 Cb 0.00 -4.13 -0.05 0.00 -1.53 0.00 0.00 36.38 30.67 2dls s VAL 8 CO 0.00 0.33 0.27 0.00 -3.33 0.00 0.00 175.10 172.36 2dls s GLN 9 N -0.52 3.86 0.33 1.54 -2.07 -1.26 -2.63 119.66 118.91 2dls s GLN 9 Ca 0.47 0.10 0.08 0.00 -1.82 0.00 0.00 55.36 54.19 2dls s GLN 9 Cb -0.28 -3.28 -0.04 0.00 -1.09 0.00 0.00 33.01 28.32 2dls s GLN 9 CO 0.34 0.57 0.16 0.50 -1.32 0.00 0.00 175.29 175.54 2dls s ARG 10 N -0.54 2.46 -0.22 9.60 3.52 -0.59 -4.97 118.95 128.21 2dls s ARG 10 Ca 0.18 -1.47 0.01 0.00 -0.13 0.00 0.00 55.73 54.32 2dls s ARG 10 Cb -0.14 -2.25 0.05 0.00 -1.56 0.00 0.00 34.95 31.06 2dls s ARG 10 CO 0.07 0.14 -0.08 0.00 -0.81 0.00 0.00 175.30 174.61 2dls s VAL 12 N 1.35 2.28 -0.23 0.00 0.11 -0.28 -4.97 120.40 118.66 2dls s VAL 12 Ca -0.04 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 58.00 2dls s VAL 12 Cb -0.18 -1.85 0.02 0.00 -1.53 0.00 0.00 36.38 32.84 2dls s VAL 12 CO -0.07 0.57 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.57 2dls s ILE 13 N -0.18 2.92 -0.15 7.04 1.01 -1.26 0.24 121.20 130.82 2dls s ILE 13 Ca -0.03 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 2dls s ILE 13 Cb -0.14 -2.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 2dls s ILE 13 CO 0.04 0.31 0.22 -0.63 0.00 0.00 0.00 174.94 174.87 2dls s ILE 14 N 1.37 5.36 -0.02 2.92 1.01 -1.12 -4.93 121.20 125.77 2dls s ILE 14 Ca 0.02 0.39 0.07 0.00 0.00 0.00 0.00 60.65 61.14 2dls s ILE 14 Cb -0.15 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2dls s ILE 14 CO -0.05 0.46 -0.24 0.00 0.00 0.00 0.00 174.94 175.11 2dls s GLN 15 N 0.02 2.01 -0.25 2.79 -2.07 -1.26 -2.38 119.66 118.53 2dls s GLN 15 Ca 0.14 -0.87 -0.43 0.00 -1.82 0.00 0.00 55.36 52.38 2dls s GLN 15 Cb -0.12 -1.92 -0.19 0.00 -1.09 0.00 0.00 33.01 29.68 2dls s GLN 15 CO 0.03 0.51 1.44 1.63 -1.32 0.00 0.00 175.29 177.58 2dls n LYS 16 N 2.52 0.32 -0.00 9.60 5.02 -1.25 -4.86 118.16 129.50 2dls n LYS 16 Ca -0.16 0.12 -0.01 0.00 -2.02 0.00 0.00 58.31 56.24 2dls n LYS 16 Cb 0.52 -1.66 -0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2dls n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2dls n ASP 17 N 3.33 0.34 -0.02 4.39 -0.08 -1.23 -4.88 116.55 118.39 2dls n ASP 17 Ca 0.26 0.05 -0.06 0.00 -1.51 0.00 0.00 54.79 53.53 2dls n ASP 17 Cb 0.04 -0.29 -0.02 0.00 2.34 0.00 0.00 41.12 43.19 2dls n ASP 17 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2dls n GLN 18 N -2.83 0.17 -2.52 -0.67 -0.06 -1.26 -4.85 117.38 105.36 2dls n GLN 18 Ca -0.01 0.07 -0.22 0.00 -2.00 0.00 0.00 57.00 54.84 2dls n GLN 18 Cb 0.05 -0.79 0.01 0.00 -4.06 0.00 0.00 30.24 25.45 2dls n GLN 18 CO 0.00 0.00 0.00 -2.39 -0.20 0.00 0.00 177.06 174.47 2dls n HIS 19 N -3.56 2.74 0.00 3.69 1.44 -1.26 -5.05 115.22 113.21 2dls n HIS 19 Ca -0.11 -2.99 0.00 0.00 -2.01 0.00 0.00 57.72 52.61 2dls n HIS 19 Cb 0.41 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 30.35 2dls n HIS 19 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2dls n GLY 20 N -0.37 1.26 3.20 -1.39 0.00 -1.26 -4.65 105.19 101.98 2dls n GLY 20 Ca 0.30 0.27 -0.26 0.00 0.00 0.00 0.00 46.02 46.33 2dls n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dls s PHE 21 N 0.00 1.75 -0.37 1.61 0.08 -1.26 -3.56 117.98 116.22 2dls s PHE 21 Ca 0.00 -0.33 0.05 0.00 0.12 0.00 0.00 56.93 56.77 2dls s PHE 21 Cb 0.00 -1.12 0.46 0.00 -0.57 0.00 0.00 43.02 41.79 2dls s PHE 21 CO 0.00 -0.02 1.37 0.41 -0.10 0.00 0.00 175.22 176.87 2dls n GLY 22 N 2.57 6.29 2.96 4.36 0.00 -1.26 -4.95 105.19 115.15 2dls n GLY 22 Ca -0.15 -2.60 -0.12 0.00 0.00 0.00 0.00 46.02 43.15 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 -3.65 0.30 0.38 1.61 -0.71 -1.26 -0.20 117.98 114.45 2dls s PHE 23 Ca 0.54 -0.25 0.05 0.00 -1.04 0.00 0.00 56.93 56.22 2dls s PHE 23 Cb 0.43 -0.20 -0.06 0.00 -1.21 0.00 0.00 43.02 41.98 2dls s PHE 23 CO 0.02 -0.07 0.04 -0.08 -1.34 0.00 0.00 175.22 173.80 2dls s THR 24 N -0.67 1.46 0.22 -4.49 -1.32 -1.12 -5.02 115.64 104.69 2dls s THR 24 Ca -0.06 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.35 2dls s THR 24 Cb -0.05 -2.80 -0.02 0.00 -1.51 0.00 0.00 72.50 68.12 2dls s THR 24 CO -0.00 0.00 0.31 0.68 -2.21 0.00 0.00 174.62 173.40 2dls s VAL 25 N -3.04 0.01 -0.26 5.08 -7.23 -1.26 -1.44 120.40 112.25 2dls s VAL 25 Ca 0.33 -1.66 -0.27 0.00 -1.81 0.00 0.00 61.98 58.57 2dls s VAL 25 Cb 0.08 -2.29 0.16 0.00 0.56 0.00 0.00 36.38 34.89 2dls s VAL 25 CO 0.16 -0.04 1.22 -0.55 -0.31 0.00 0.00 175.10 175.58 2dls s SER 26 N -3.07 -0.23 0.00 4.85 0.15 -1.16 -4.77 113.70 109.47 2dls s SER 26 Ca 0.29 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2dls s SER 26 Cb 0.03 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2dls s SER 26 CO 0.09 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2dls n GLY 27 N 1.36 2.53 0.12 9.45 0.00 -1.26 -3.47 105.19 113.91 2dls n GLY 27 Ca -0.09 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 2dls n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dls n ASP 28 N 0.00 -0.30 -4.92 1.61 9.92 -1.26 -3.50 116.55 118.09 2dls n ASP 28 Ca 0.00 0.95 -0.30 0.00 -0.53 0.00 0.00 54.79 54.92 2dls n ASP 28 Cb 0.00 -0.29 -0.04 0.00 -0.64 0.00 0.00 41.12 40.15 2dls n ASP 28 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2dls s ARG 29 N -3.93 3.48 -1.34 -1.24 3.52 -1.26 -4.14 118.95 114.04 2dls s ARG 29 Ca -0.03 -0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 55.16 2dls s ARG 29 Cb 0.03 -2.96 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 2dls s ARG 29 CO 0.18 0.54 0.59 -0.89 -0.81 0.00 0.00 175.30 174.90 2dls n ILE 30 N -0.04 -3.98 -1.55 4.11 2.08 -1.26 -4.84 119.36 113.87 2dls n ILE 30 Ca -0.05 -0.52 -0.46 0.00 0.56 0.00 0.00 62.75 62.29 2dls n ILE 30 Cb 0.52 -3.37 -0.02 0.00 -0.75 0.00 0.00 39.64 36.02 2dls n ILE 30 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2dls n VAL 31 N -4.31 1.82 -4.15 1.39 0.31 -1.23 -4.95 118.33 107.21 2dls n VAL 31 Ca -0.30 -0.45 -0.13 0.00 -0.01 0.00 0.00 64.34 63.44 2dls n VAL 31 Cb 0.68 -0.79 -0.11 0.00 -0.91 0.00 0.00 33.84 32.72 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 0.94 2.40 -0.36 7.52 1.43 -1.23 -3.45 118.68 125.93 2dls s LEU 32 Ca 0.62 -0.81 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 2dls s LEU 32 Cb -0.77 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2dls s LEU 32 CO 0.58 -0.30 1.76 -0.69 0.23 0.00 0.00 176.35 177.93 2dls s VAL 33 N -2.54 3.51 0.05 -1.59 1.01 -0.87 -2.96 120.40 117.01 2dls s VAL 33 Ca 0.04 0.50 -0.35 0.00 0.00 0.00 0.00 61.98 62.18 2dls s VAL 33 Cb -0.02 -3.73 -0.19 0.00 0.00 0.00 0.00 36.38 32.44 2dls s VAL 33 CO -0.01 -0.49 1.44 -0.61 0.00 0.00 0.00 175.10 175.43 2dls h GLN 34 N 12.83 -1.21 -4.17 2.72 -0.00 -1.55 -3.17 115.11 120.57 2dls h GLN 34 Ca -0.32 0.08 -0.14 0.00 -0.00 0.00 0.00 58.65 58.27 2dls h GLN 34 Cb 1.16 0.27 -0.14 0.00 0.00 0.00 0.00 27.48 28.78 2dls h GLN 34 CO 1.05 -0.81 -0.50 0.45 0.00 0.00 0.00 178.83 179.03 2dls s SER 35 N -4.12 0.20 -0.05 -0.69 0.15 -1.26 -4.83 113.70 103.10 2dls s SER 35 Ca -0.18 -1.04 -0.01 0.00 0.70 0.00 0.00 55.95 55.41 2dls s SER 35 Cb 0.02 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.71 2dls s SER 35 CO 0.55 -0.79 0.03 -0.69 1.20 0.00 0.00 173.24 173.54 2dls s VAL 36 N -4.00 0.10 0.30 4.45 1.01 -1.26 -2.79 120.40 118.22 2dls s VAL 36 Ca 0.20 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.19 2dls s VAL 36 Cb 0.06 -0.30 -0.14 0.00 0.00 0.00 0.00 36.38 35.99 2dls s VAL 36 CO 0.00 0.20 0.76 0.54 0.00 0.00 0.00 175.10 176.61 2dls n ARG 37 N 5.10 0.81 0.00 2.72 5.12 0.72 -4.81 116.66 126.31 2dls n ARG 37 Ca -0.07 0.28 0.07 0.00 -1.93 0.00 0.00 57.85 56.20 2dls n ARG 37 Cb 0.50 -1.54 0.38 0.00 -1.16 0.00 0.00 32.46 30.64 2dls n ARG 37 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2dls n PRO 38 N 0.75 0.23 -1.27 5.56 -0.04 -1.26 -3.76 135.00 135.21 2dls n PRO 38 Ca 0.12 0.14 -0.03 0.00 -0.04 0.00 0.00 63.50 63.69 2dls n PRO 38 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.25 0.00 0.55 0.00 -1.26 -5.04 105.19 99.67 2dls n GLY 39 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.31 1.01 0.10 -0.02 0.00 -1.25 -4.96 105.19 99.77 2dls n GLY 40 Ca -0.13 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 1.53 -0.05 4.61 0.00 -1.26 -4.20 120.51 118.14 2dls n ALA 41 Ca 0.00 -1.21 -0.15 0.00 0.00 0.00 0.00 53.44 52.08 2dls n ALA 41 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 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 0.80 0.33 0.34 0.00 0.00 -1.90 -2.78 119.26 116.05 2dls h ALA 42 Ca -0.51 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 2dls h ALA 42 Cb 2.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 2dls h ALA 42 CO 0.01 0.51 -0.24 1.98 0.00 0.00 0.00 179.25 181.51 2dls h MET 43 N 0.39 -0.55 -0.15 0.00 -1.53 -1.79 -1.79 114.93 109.50 2dls h MET 43 Ca -0.01 0.04 0.04 0.00 -3.44 0.00 0.00 59.70 56.33 2dls h MET 43 Cb 1.12 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 32.29 2dls h MET 43 CO 0.11 -0.37 0.12 1.57 0.14 0.00 0.00 176.91 178.48 2dls h LYS 44 N -0.57 0.00 -0.03 0.39 2.10 -1.73 -0.22 116.57 116.50 2dls h LYS 44 Ca -0.03 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.50 2dls h LYS 44 Cb 0.49 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 2dls h LYS 44 CO 0.01 0.00 -0.53 0.00 -2.00 0.00 0.00 179.45 176.93 2dls h ALA 45 N 1.90 1.06 0.00 0.07 0.00 -1.06 -3.47 119.26 117.77 2dls h ALA 45 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2dls h ALA 45 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2dls h ALA 45 CO -0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 2dls n GLY 46 N 0.03 1.26 3.49 0.00 0.00 -0.10 -4.94 105.19 104.93 2dls n GLY 46 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.48 0.26 1.61 1.01 -0.80 -5.02 120.40 118.94 2dls s VAL 47 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2dls s VAL 47 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 2dls s VAL 47 CO 0.00 0.55 0.00 -1.59 0.00 0.00 0.00 175.10 174.07 2dls s LYS 48 N -0.22 1.45 0.05 2.72 -2.85 -1.26 -4.36 119.74 115.27 2dls s LYS 48 Ca 0.02 -1.75 -0.31 0.00 -1.00 0.00 0.00 55.97 52.94 2dls s LYS 48 Cb -0.13 -0.75 -0.06 0.00 -2.06 0.00 0.00 37.83 34.83 2dls s LYS 48 CO 0.03 -0.10 1.33 -1.21 0.10 0.00 0.00 175.35 175.49 2dls s GLU 49 N -3.85 4.34 0.00 1.78 2.02 -1.26 -3.79 118.70 117.94 2dls s GLU 49 Ca 0.31 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.22 2dls s GLU 49 Cb 0.06 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.89 2dls s GLU 49 CO 0.11 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.37 2dls n GLY 50 N 3.45 1.40 3.39 -1.39 0.00 -1.20 -5.03 105.19 105.81 2dls n GLY 50 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 3.50 -0.18 1.61 1.01 -1.25 -4.94 116.67 114.42 2dls s ASP 51 Ca 0.00 -0.36 -0.11 0.00 0.71 0.00 0.00 52.55 52.79 2dls s ASP 51 Cb 0.00 -0.56 -0.05 0.00 1.01 0.00 0.00 42.92 43.32 2dls s ASP 51 CO 0.00 0.33 0.19 -0.60 0.21 0.00 0.00 175.17 175.29 2dls s ARG 52 N -0.71 4.16 -0.46 8.23 3.52 -1.26 -2.05 118.95 130.38 2dls s ARG 52 Ca 0.11 -0.11 -0.18 0.00 -0.13 0.00 0.00 55.73 55.43 2dls s ARG 52 Cb -0.10 -3.41 0.05 0.00 -1.56 0.00 0.00 34.95 29.93 2dls s ARG 52 CO -0.00 0.31 0.49 0.42 -0.81 0.00 0.00 175.30 175.72 2dls s ILE 53 N 0.29 5.05 -0.10 4.11 1.01 -1.22 -3.90 121.20 126.44 2dls s ILE 53 Ca 0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2dls s ILE 53 Cb -0.12 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.20 2dls s ILE 53 CO 0.00 -0.59 -0.02 0.40 0.00 0.00 0.00 174.94 174.74 2dls h ILE 54 N 5.78 0.00 -2.91 2.92 2.04 -1.87 -3.44 117.51 120.03 2dls h ILE 54 Ca -0.27 -0.96 -0.63 0.00 1.00 0.00 0.00 64.86 64.00 2dls h ILE 54 Cb 1.11 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.03 2dls h ILE 54 CO 0.87 0.00 -0.76 -0.75 0.00 0.00 0.00 178.15 177.51 2dls s LYS 55 N -1.60 1.81 -0.21 2.37 2.20 -1.26 -1.95 119.74 121.09 2dls s LYS 55 Ca -0.02 -1.45 -0.04 0.00 -0.36 0.00 0.00 55.97 54.10 2dls s LYS 55 Cb 0.00 -1.98 0.07 0.00 -1.51 0.00 0.00 37.83 34.42 2dls s LYS 55 CO 0.02 0.40 0.10 0.08 -0.36 0.00 0.00 175.35 175.59 2dls s VAL 56 N -1.85 -0.02 -1.46 4.02 1.01 0.89 -2.20 120.40 120.79 2dls s VAL 56 Ca 0.24 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2dls s VAL 56 Cb -0.08 -0.75 0.05 0.00 0.00 0.00 0.00 36.38 35.61 2dls s VAL 56 CO 0.13 -0.42 1.00 -3.20 0.00 0.00 0.00 175.10 172.62 2dls n ASN 57 N 5.25 -5.48 0.00 3.32 2.85 0.10 -1.33 115.26 119.97 2dls n ASN 57 Ca -0.07 -0.63 0.00 0.00 -0.11 0.00 0.00 54.58 53.77 2dls n ASN 57 Cb 0.47 -4.35 0.00 0.00 1.24 0.00 0.00 39.78 37.13 2dls n ASN 57 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dls n GLY 58 N -1.77 2.66 3.62 8.20 0.00 -1.26 -5.00 105.19 111.65 2dls n GLY 58 Ca 0.02 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.40 4.10 -0.41 2.61 2.01 -0.44 -4.98 115.64 117.13 2dls s THR 59 Ca 0.00 1.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.93 2dls s THR 59 Cb 0.00 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.35 2dls s THR 59 CO 0.00 -0.55 1.09 -0.32 -0.69 0.00 0.00 174.62 174.15 2dls s MET 60 N 4.32 3.84 -0.50 4.92 1.75 -1.26 -0.08 119.30 132.29 2dls s MET 60 Ca 0.57 0.72 0.02 0.00 -1.25 0.00 0.00 55.69 55.75 2dls s MET 60 Cb -0.16 -3.84 0.47 0.00 2.84 0.00 0.00 34.83 34.14 2dls s MET 60 CO 0.25 -1.18 1.71 1.33 -0.65 0.00 0.00 175.02 176.48 2dls n VAL 61 N 6.42 3.16 -0.24 10.11 0.24 -0.82 -4.72 118.33 132.48 2dls n VAL 61 Ca 0.11 -3.29 0.00 0.00 -2.04 0.00 0.00 64.34 59.13 2dls n VAL 61 Cb 0.48 -1.05 0.12 0.00 -1.47 0.00 0.00 33.84 31.93 2dls n VAL 61 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2dls h THR 62 N 1.39 0.90 -2.73 3.34 1.35 -1.83 -3.30 112.91 112.02 2dls h THR 62 Ca 0.50 -0.22 -0.61 0.00 -0.55 0.00 0.00 66.41 65.54 2dls h THR 62 Cb 1.23 0.21 -0.40 0.00 -1.73 0.00 0.00 68.15 67.46 2dls h THR 62 CO 1.20 0.12 -0.76 0.59 -0.25 0.00 0.00 175.52 176.41 2dls n ASN 63 N -4.83 1.41 -3.74 5.36 3.02 -1.26 -4.48 115.26 110.73 2dls n ASN 63 Ca 0.10 -2.83 -0.11 0.00 -0.03 0.00 0.00 54.58 51.71 2dls n ASN 63 Cb 0.23 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.69 2dls n ASN 63 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2dls s SER 64 N -0.79 0.20 0.20 6.41 0.01 -1.25 -5.15 113.70 113.34 2dls s SER 64 Ca 0.29 -1.13 -0.28 0.00 1.31 0.00 0.00 55.95 56.14 2dls s SER 64 Cb 0.00 0.61 -0.08 0.00 0.21 0.00 0.00 66.02 66.76 2dls s SER 64 CO -0.18 -1.20 0.88 -0.55 0.41 0.00 0.00 173.24 172.60 2dls s SER 65 N -3.09 7.54 0.05 2.44 0.15 -1.26 -4.61 113.70 114.91 2dls s SER 65 Ca 0.25 1.82 -0.14 0.00 0.70 0.00 0.00 55.95 58.58 2dls s SER 65 Cb -0.00 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 2dls s SER 65 CO 0.12 0.16 1.23 -0.74 1.20 0.00 0.00 173.24 175.21 2dls h HIS 66 N 4.34 -0.68 -0.77 3.44 2.76 -1.84 -2.10 115.15 120.30 2dls h HIS 66 Ca -0.46 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 57.85 2dls h HIS 66 Cb 1.20 0.31 -0.12 0.00 1.55 0.00 0.00 27.41 30.36 2dls h HIS 66 CO 0.62 -0.22 -0.34 -0.11 -1.30 0.00 0.00 177.93 176.59 2dls n LEU 67 N -3.77 -0.58 -0.30 0.26 7.94 -1.26 0.18 117.00 119.47 2dls n LEU 67 Ca -0.02 1.35 0.13 0.00 -1.11 0.00 0.00 56.01 56.36 2dls n LEU 67 Cb 0.15 -0.27 0.30 0.00 0.53 0.00 0.00 43.42 44.12 2dls n LEU 67 CO 0.02 -1.18 0.97 -0.33 -1.11 0.00 0.00 177.39 175.76 2dls h GLU 68 N 0.00 0.25 -0.58 1.96 4.39 -1.79 0.23 114.58 119.03 2dls h GLU 68 Ca 0.23 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.93 2dls h GLU 68 Cb 0.42 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2dls h GLU 68 CO -0.75 0.16 0.37 0.28 -1.16 0.00 0.00 179.01 177.91 2dls h VAL 69 N 0.25 1.12 -0.15 3.13 2.07 0.22 -3.02 116.25 119.87 2dls h VAL 69 Ca 0.56 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.86 2dls h VAL 69 Cb 1.12 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 2dls h VAL 69 CO -0.62 0.14 -0.49 0.58 0.02 0.00 0.00 177.57 177.20 2dls h VAL 70 N 0.75 0.06 -0.88 2.57 2.07 -0.11 -1.27 116.25 119.45 2dls h VAL 70 Ca 0.22 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.95 2dls h VAL 70 Cb -0.04 0.06 -0.16 0.00 -1.52 0.00 0.00 31.29 29.63 2dls h VAL 70 CO -0.07 0.00 -0.06 0.11 0.02 0.00 0.00 177.57 177.57 2dls h LYS 71 N -0.53 0.04 -0.88 1.57 1.57 -1.38 0.70 116.57 117.65 2dls h LYS 71 Ca 0.06 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.92 2dls h LYS 71 Cb 0.66 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 2dls h LYS 71 CO -0.43 0.03 0.53 -0.07 -0.57 0.00 0.00 179.45 178.94 2dls h LEU 72 N 0.04 0.81 -0.21 2.94 3.38 -1.22 -2.21 115.31 118.85 2dls h LEU 72 Ca 0.48 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.36 2dls h LEU 72 Cb 0.86 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2dls h LEU 72 CO -0.83 0.49 -0.35 0.40 0.09 0.00 0.00 178.44 178.24 2dls h ILE 73 N 0.93 1.33 -0.55 1.22 2.04 0.78 -3.25 117.51 120.00 2dls h ILE 73 Ca 0.40 -1.56 0.11 0.00 1.00 0.00 0.00 64.86 64.81 2dls h ILE 73 Cb 0.28 1.81 -0.11 0.00 -0.74 0.00 0.00 36.82 38.06 2dls h ILE 73 CO -0.21 0.48 -0.22 0.11 0.00 0.00 0.00 178.15 178.32 2dls h LYS 74 N 0.29 -0.08 -6.49 2.37 1.79 0.01 -3.35 116.57 111.10 2dls h LYS 74 Ca 0.02 0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 57.93 2dls h LYS 74 Cb 0.94 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.55 2dls h LYS 74 CO 0.08 -0.05 1.07 0.45 -1.08 0.00 0.00 179.45 179.92 2dls s SER 75 N -5.18 6.26 0.00 0.86 0.15 -0.99 -4.77 113.70 110.04 2dls s SER 75 Ca -0.14 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2dls s SER 75 Cb 0.17 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2dls s SER 75 CO 0.71 -1.54 0.00 0.61 1.20 0.00 0.00 173.24 174.22 2dls n GLY 76 N 5.14 3.97 0.21 9.45 0.00 -1.26 -4.94 105.19 117.77 2dls n GLY 76 Ca 0.14 -1.25 -0.02 0.00 0.00 0.00 0.00 46.02 44.89 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 0.59 -2.18 4.61 0.00 -1.88 -3.43 119.26 116.97 2dls h ALA 77 Ca 0.00 0.11 -0.49 0.00 0.00 0.00 0.00 54.91 54.53 2dls h ALA 77 Cb 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 2dls h ALA 77 CO 0.00 -0.30 -0.72 1.52 0.00 0.00 0.00 179.25 179.74 2dls s TYR 78 N -6.13 1.88 -0.07 0.00 -0.85 -1.26 -3.86 117.35 107.07 2dls s TYR 78 Ca -0.13 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 55.86 2dls s TYR 78 Cb 0.16 -0.92 0.02 0.00 0.38 0.00 0.00 41.96 41.61 2dls s TYR 78 CO 0.73 0.41 -0.05 0.54 -1.52 0.00 0.00 175.55 175.66 2dls s VAL 79 N -2.89 0.67 -0.51 -3.49 0.11 -1.00 -4.96 120.40 108.33 2dls s VAL 79 Ca 0.26 -0.14 -0.26 0.00 -2.93 0.00 0.00 61.98 58.90 2dls s VAL 79 Cb -0.00 -0.71 0.03 0.00 -1.53 0.00 0.00 36.38 34.17 2dls s VAL 79 CO 0.10 0.28 1.02 0.00 -3.33 0.00 0.00 175.10 173.17 2dls s ALA 80 N 1.31 3.15 -0.11 1.54 0.00 -1.26 -2.81 121.76 123.58 2dls s ALA 80 Ca -0.04 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 2dls s ALA 80 Cb -0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 2dls s ALA 80 CO -0.02 -2.30 0.18 -0.51 0.00 0.00 0.00 175.76 173.11 2dls s LEU 81 N 4.18 4.38 -0.65 0.00 1.43 0.14 -0.72 118.68 127.43 2dls s LEU 81 Ca 0.39 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.88 2dls s LEU 81 Cb -0.09 -2.15 0.17 0.00 0.03 0.00 0.00 46.19 44.14 2dls s LEU 81 CO 0.26 0.36 0.57 -0.89 0.23 0.00 0.00 176.35 176.88 2dls s THR 82 N -0.84 4.98 -0.25 5.49 2.01 -0.93 -1.13 115.64 124.97 2dls s THR 82 Ca 0.15 -2.12 -0.15 0.00 0.31 0.00 0.00 61.69 59.88 2dls s THR 82 Cb -0.13 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2dls s THR 82 CO 0.05 -0.91 0.36 -0.76 -0.69 0.00 0.00 174.62 172.66 2dls s LEU 83 N 0.78 4.08 -0.19 4.42 1.43 -0.99 -2.68 118.68 125.51 2dls s LEU 83 Ca 0.11 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 2dls s LEU 83 Cb -0.20 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2dls s LEU 83 CO -0.03 -0.13 0.12 -0.22 0.23 0.00 0.00 176.35 176.32 2dls s LEU 84 N 1.76 4.18 -0.47 1.79 0.20 -1.25 -1.54 118.68 123.34 2dls s LEU 84 Ca 0.15 0.23 -0.12 0.00 0.69 0.00 0.00 54.13 55.08 2dls s LEU 84 Cb -0.15 -2.07 0.10 0.00 -0.43 0.00 0.00 46.19 43.64 2dls s LEU 84 CO 0.09 0.19 0.37 -0.83 -0.29 0.00 0.00 176.35 175.88 2dls s GLY 85 N 0.27 2.03 0.13 7.98 0.00 -1.08 -4.68 107.32 111.97 2dls s GLY 85 Ca 0.08 -2.37 -0.23 0.00 0.00 0.00 0.00 44.72 42.20 2dls s GLY 85 CO -0.01 1.09 1.66 0.23 0.00 0.00 0.00 173.10 176.07 2dls h SER 86 N 8.60 -0.50 -3.86 1.64 0.87 -1.87 -3.37 113.55 115.06 2dls h SER 86 Ca -0.25 0.09 -0.67 0.00 -1.23 0.00 0.00 61.79 59.73 2dls h SER 86 Cb 1.09 0.23 -0.37 0.00 -0.44 0.00 0.00 62.40 62.91 2dls h SER 86 CO 0.88 -0.22 -0.80 -0.55 -0.53 0.00 0.00 176.83 175.62 2dls s SER 87 N -5.02 4.44 0.26 6.23 0.15 -1.26 -4.67 113.70 113.83 2dls s SER 87 Ca -0.14 -1.41 -0.21 0.00 0.70 0.00 0.00 55.95 54.89 2dls s SER 87 Cb 0.10 -1.54 -0.09 0.00 -1.71 0.00 0.00 66.02 62.78 2dls s SER 87 CO 0.67 -0.20 0.79 -0.44 1.20 0.00 0.00 173.24 175.26 2dls s SER 88 N 1.11 7.10 -0.02 5.45 0.01 -1.26 -4.65 113.70 121.44 2dls s SER 88 Ca -0.08 1.52 -0.01 0.00 1.31 0.00 0.00 55.95 58.69 2dls s SER 88 Cb -0.20 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2dls s SER 88 CO -0.05 -0.03 0.02 0.61 0.41 0.00 0.00 173.24 174.20 2dls n GLY 89 N 0.55 -1.23 3.56 3.44 0.00 -1.26 -4.91 105.19 105.34 2dls n GLY 89 Ca -0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 2dls n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dls s PRO 90 N -0.84 2.56 0.07 1.61 0.04 -1.26 -4.93 135.00 132.25 2dls s PRO 90 Ca 0.01 -0.17 0.05 0.00 0.04 0.00 0.00 61.00 60.92 2dls s PRO 90 Cb -0.00 -4.98 -0.03 0.00 0.04 0.00 0.00 34.50 29.53 2dls s PRO 90 CO 0.04 -3.30 -0.13 -1.54 0.04 0.00 0.00 177.00 172.11 2dls s SER 91 N 8.05 1.56 -0.73 6.66 1.04 -1.26 -5.10 113.70 123.91 2dls s SER 91 Ca 0.70 -0.60 -0.12 0.00 0.48 0.00 0.00 55.95 56.41 2dls s SER 91 Cb -0.07 -0.04 0.19 0.00 0.10 0.00 0.00 66.02 66.20 2dls s SER 91 CO 0.02 -0.09 0.65 -0.55 0.98 0.00 0.00 173.24 174.25 2dls s SER 92 N -1.69 6.36 0.00 7.02 0.15 -1.26 -5.22 113.70 119.05 2dls s SER 92 Ca -0.03 -2.56 0.00 0.00 0.70 0.00 0.00 55.95 54.06 2dls s SER 92 Cb -0.10 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2dls s SER 92 CO 0.02 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.49