#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 7.38 0.24 1.61 0.15 -1.26 -5.04 113.70 116.77 2dls s SER 2 Ca 0.00 2.03 -0.10 0.00 0.70 0.00 0.00 55.95 58.58 2dls s SER 2 Cb 0.00 -2.61 -0.07 0.00 -1.71 0.00 0.00 66.02 61.63 2dls s SER 2 CO 0.00 -0.05 0.57 -0.44 1.20 0.00 0.00 173.24 174.53 2dls s SER 3 N -1.22 6.65 -0.00 5.45 0.01 -1.26 -4.85 113.70 118.49 2dls s SER 3 Ca 0.46 0.97 -0.00 0.00 1.31 0.00 0.00 55.95 58.68 2dls s SER 3 Cb -0.26 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2dls s SER 3 CO 0.33 -0.08 0.01 0.61 0.41 0.00 0.00 173.24 174.51 2dls n GLY 4 N -0.14 -3.39 3.55 3.44 0.00 -1.26 -4.94 105.19 102.45 2dls n GLY 4 Ca 0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 0.35 0.42 -4.86 1.61 2.88 -1.26 -4.95 113.62 107.80 2dls n SER 5 Ca -0.01 1.00 -0.31 0.00 -1.33 0.00 0.00 58.87 58.21 2dls n SER 5 Cb 0.02 -1.25 -0.05 0.00 -0.75 0.00 0.00 64.21 62.18 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 -0.82 6.64 0.00 -3.46 0.01 -1.26 -4.90 113.70 109.91 2dls s SER 6 Ca 0.63 1.20 0.00 0.00 1.31 0.00 0.00 55.95 59.09 2dls s SER 6 Cb -0.59 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.29 2dls s SER 6 CO 0.57 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2dls n GLY 7 N -0.86 0.45 3.01 3.44 0.00 -1.26 -4.86 105.19 105.11 2dls n GLY 7 Ca 0.03 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 -0.04 0.28 1.61 0.11 -1.26 -5.15 120.40 115.95 2dls s VAL 8 Ca 0.00 0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.27 2dls s VAL 8 Cb 0.00 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 2dls s VAL 8 CO 0.00 0.06 0.14 -1.10 -3.33 0.00 0.00 175.10 170.86 2dls s GLN 9 N 1.05 2.63 -0.14 1.54 -0.21 -1.26 -3.99 119.66 119.28 2dls s GLN 9 Ca -0.08 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.05 2dls s GLN 9 Cb -0.09 -2.38 0.02 0.00 1.00 0.00 0.00 33.01 31.56 2dls s GLN 9 CO -0.06 0.32 -0.14 -0.98 -2.12 0.00 0.00 175.29 172.31 2dls s ARG 10 N -3.81 2.26 -0.16 2.91 1.70 0.58 -4.95 118.95 117.48 2dls s ARG 10 Ca 0.34 -0.55 -0.24 0.00 -0.47 0.00 0.00 55.73 54.82 2dls s ARG 10 Cb -0.07 -2.06 -0.02 0.00 -0.57 0.00 0.00 34.95 32.23 2dls s ARG 10 CO 0.23 -0.22 0.75 0.00 -1.08 0.00 0.00 175.30 174.99 2dls s VAL 12 N 1.86 0.56 -0.24 0.00 0.11 0.31 -4.96 120.40 118.05 2dls s VAL 12 Ca 0.35 -0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 59.24 2dls s VAL 12 Cb -0.17 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 2dls s VAL 12 CO 0.13 0.26 0.13 -0.63 -3.33 0.00 0.00 175.10 171.65 2dls s ILE 13 N 1.38 5.01 -0.15 7.04 1.01 -1.26 -0.20 121.20 134.04 2dls s ILE 13 Ca -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 2dls s ILE 13 Cb -0.13 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2dls s ILE 13 CO -0.03 0.35 -0.02 -0.63 0.00 0.00 0.00 174.94 174.61 2dls s ILE 14 N 1.15 4.03 -0.02 2.92 1.01 -0.49 -4.85 121.20 124.95 2dls s ILE 14 Ca 0.06 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2dls s ILE 14 Cb -0.14 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 2dls s ILE 14 CO 0.05 0.51 -0.12 0.00 0.00 0.00 0.00 174.94 175.37 2dls s GLN 15 N 0.16 2.45 -0.10 2.79 0.00 -1.26 -2.04 119.66 121.66 2dls s GLN 15 Ca -0.01 -0.75 -0.32 0.00 -0.00 0.00 0.00 55.36 54.29 2dls s GLN 15 Cb -0.13 -2.40 -0.10 0.00 0.00 0.00 0.00 33.01 30.38 2dls s GLN 15 CO 0.02 0.60 2.01 0.36 0.00 0.00 0.00 175.29 178.29 2dls n LYS 16 N 1.92 2.25 -0.05 9.60 2.85 -1.13 -4.86 118.16 128.73 2dls n LYS 16 Ca -0.16 0.78 -0.22 0.00 -1.05 0.00 0.00 58.31 57.66 2dls n LYS 16 Cb 0.52 -2.86 -0.13 0.00 -0.65 0.00 0.00 35.03 31.92 2dls n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2dls n ASP 17 N 8.24 2.03 -2.24 -5.58 -0.08 -1.26 -4.48 116.55 113.19 2dls n ASP 17 Ca 0.25 0.21 -0.26 0.00 -1.51 0.00 0.00 54.79 53.48 2dls n ASP 17 Cb 0.35 -0.82 0.02 0.00 2.34 0.00 0.00 41.12 43.01 2dls n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dls n GLN 18 N -3.72 3.48 -3.24 -0.67 6.02 -1.26 -4.91 117.38 113.08 2dls n GLN 18 Ca -0.36 -4.24 -0.16 0.00 -0.01 0.00 0.00 57.00 52.23 2dls n GLN 18 Cb 0.94 -2.27 0.07 0.00 1.02 0.00 0.00 30.24 30.00 2dls n GLN 18 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2dls n HIS 19 N -0.63 -1.99 0.00 1.08 8.25 -1.26 -4.95 115.22 115.72 2dls n HIS 19 Ca 0.43 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.67 2dls n HIS 19 Cb 0.82 -4.37 0.00 0.00 1.12 0.00 0.00 29.99 27.56 2dls n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dls n GLY 20 N -1.36 4.30 3.48 -1.41 0.00 -1.26 -5.11 105.19 103.83 2dls n GLY 20 Ca -0.13 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.66 1.32 -0.30 1.61 0.08 -1.26 -4.41 117.98 114.36 2dls s PHE 21 Ca 0.00 1.16 0.17 0.00 0.12 0.00 0.00 56.93 58.38 2dls s PHE 21 Cb 0.00 -3.09 0.48 0.00 -0.57 0.00 0.00 43.02 39.84 2dls s PHE 21 CO 0.00 -3.95 1.09 0.41 -0.10 0.00 0.00 175.22 172.67 2dls n GLY 22 N 0.85 3.11 2.85 4.36 0.00 -1.26 -4.97 105.19 110.13 2dls n GLY 22 Ca 0.03 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.59 0.31 -0.01 1.61 -0.71 -1.26 -1.24 117.98 113.09 2dls s PHE 23 Ca 0.34 -0.02 0.01 0.00 -1.04 0.00 0.00 56.93 56.22 2dls s PHE 23 Cb 0.38 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 2dls s PHE 23 CO -0.02 -0.10 0.02 0.95 -1.34 0.00 0.00 175.22 174.73 2dls s THR 24 N 0.72 4.31 -0.02 -4.49 -4.23 -1.09 -5.01 115.64 105.83 2dls s THR 24 Ca -0.07 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2dls s THR 24 Cb -0.10 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2dls s THR 24 CO -0.01 0.39 -0.07 0.68 -0.54 0.00 0.00 174.62 175.07 2dls s VAL 25 N -1.10 0.62 -0.47 2.29 -7.23 -1.26 0.12 120.40 113.38 2dls s VAL 25 Ca 0.20 -0.27 -0.27 0.00 -1.81 0.00 0.00 61.98 59.82 2dls s VAL 25 Cb -0.12 -0.57 0.03 0.00 0.56 0.00 0.00 36.38 36.29 2dls s VAL 25 CO 0.10 0.20 1.05 -0.94 -0.31 0.00 0.00 175.10 175.20 2dls s SER 26 N 0.24 6.58 0.05 4.85 1.04 0.78 -4.83 113.70 122.41 2dls s SER 26 Ca -0.03 0.33 -0.31 0.00 0.48 0.00 0.00 55.95 56.42 2dls s SER 26 Cb -0.08 -2.51 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 2dls s SER 26 CO 0.00 -1.16 1.58 -0.83 0.98 0.00 0.00 173.24 173.81 2dls s GLY 27 N 2.36 1.64 0.02 7.32 0.00 -1.26 -2.85 107.32 114.55 2dls s GLY 27 Ca 0.43 1.12 -0.25 0.00 0.00 0.00 0.00 44.72 46.02 2dls s GLY 27 CO 0.29 2.78 1.14 1.34 0.00 0.00 0.00 173.10 178.64 2dls n ASP 28 N 5.51 -1.22 -0.24 1.64 2.03 -1.24 -4.68 116.55 118.35 2dls n ASP 28 Ca 0.15 -1.36 0.16 0.00 0.52 0.00 0.00 54.79 54.25 2dls n ASP 28 Cb 0.41 1.92 0.29 0.00 -0.72 0.00 0.00 41.12 43.03 2dls n ASP 28 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2dls n ARG 29 N -0.81 -0.05 -3.63 -0.67 3.00 -1.26 -2.04 116.66 111.20 2dls n ARG 29 Ca 0.03 1.03 -0.27 0.00 -0.00 0.00 0.00 57.85 58.63 2dls n ARG 29 Cb 0.54 -1.72 -0.11 0.00 0.00 0.00 0.00 32.46 31.17 2dls n ARG 29 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2dls n ILE 30 N -4.82 0.19 -1.02 5.15 -6.64 -1.26 -2.41 119.36 108.55 2dls n ILE 30 Ca 0.21 -4.14 -0.40 0.00 -1.77 0.00 0.00 62.75 56.65 2dls n ILE 30 Cb 0.70 -1.91 -0.05 0.00 -1.44 0.00 0.00 39.64 36.93 2dls n ILE 30 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 2dls n VAL 31 N 2.37 0.00 -4.31 7.28 0.31 -0.86 -4.87 118.33 118.25 2dls n VAL 31 Ca 0.25 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.41 2dls n VAL 31 Cb 0.42 -0.05 -0.10 0.00 -0.91 0.00 0.00 33.84 33.19 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 0.32 2.50 -0.38 7.52 1.43 -1.13 -3.45 118.68 125.49 2dls s LEU 32 Ca 0.62 -1.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.45 2dls s LEU 32 Cb -0.86 -0.50 0.01 0.00 0.03 0.00 0.00 46.19 44.87 2dls s LEU 32 CO 0.40 -0.28 0.71 -0.69 0.23 0.00 0.00 176.35 176.73 2dls s VAL 33 N -3.16 4.78 0.04 -1.59 1.01 -1.21 -0.16 120.40 120.11 2dls s VAL 33 Ca 0.21 0.61 -0.31 0.00 0.00 0.00 0.00 61.98 62.49 2dls s VAL 33 Cb 0.02 -4.18 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 2dls s VAL 33 CO 0.05 -0.46 1.36 -0.61 0.00 0.00 0.00 175.10 175.43 2dls h GLN 34 N 8.61 -0.94 -3.37 2.72 4.15 0.59 -3.24 115.11 123.63 2dls h GLN 34 Ca -0.25 0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 2dls h GLN 34 Cb 1.10 0.21 -0.07 0.00 0.21 0.00 0.00 27.48 28.93 2dls h GLN 34 CO 0.89 -0.60 0.03 0.45 -1.93 0.00 0.00 178.83 177.67 2dls s SER 35 N -4.41 -0.17 -0.21 -0.69 0.15 -1.18 -4.83 113.70 102.36 2dls s SER 35 Ca -0.16 -0.78 -0.02 0.00 0.70 0.00 0.00 55.95 55.69 2dls s SER 35 Cb 0.02 0.65 0.06 0.00 -1.71 0.00 0.00 66.02 65.04 2dls s SER 35 CO 0.53 -1.22 0.02 -0.69 1.20 0.00 0.00 173.24 173.07 2dls s VAL 36 N -3.97 0.80 0.16 4.45 1.01 -1.26 -2.66 120.40 118.92 2dls s VAL 36 Ca 0.17 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 2dls s VAL 36 Cb -0.03 -1.27 -0.14 0.00 0.00 0.00 0.00 36.38 34.94 2dls s VAL 36 CO 0.08 -0.22 0.45 -1.14 0.00 0.00 0.00 175.10 174.27 2dls n ARG 37 N 4.94 0.00 -2.05 2.72 0.63 -0.37 -4.70 116.66 117.83 2dls n ARG 37 Ca -0.09 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.57 2dls n ARG 37 Cb 0.46 -0.85 -0.05 0.00 0.45 0.00 0.00 32.46 32.47 2dls n ARG 37 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2dls s PRO 38 N -0.79 2.55 0.00 -0.14 0.04 -1.26 -2.84 135.00 132.56 2dls s PRO 38 Ca 0.54 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2dls s PRO 38 Cb -0.79 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 28.70 2dls s PRO 38 CO 0.47 -3.37 0.00 0.41 0.04 0.00 0.00 177.00 174.55 2dls n GLY 39 N 6.83 1.01 0.00 0.56 0.00 -1.26 -5.09 105.19 107.24 2dls n GLY 39 Ca 0.40 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.49 0.58 0.26 -0.02 0.00 -1.13 -4.96 105.19 99.43 2dls n GLY 40 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 1.74 0.04 4.61 0.00 -1.26 -4.32 120.51 118.32 2dls n ALA 41 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 2dls n ALA 41 Cb 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.31 -0.03 -0.44 0.00 0.00 -1.91 -2.28 119.26 114.29 2dls h ALA 42 Ca -0.41 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.54 2dls h ALA 42 Cb 1.49 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 2dls h ALA 42 CO -0.16 -0.48 0.07 1.98 0.00 0.00 0.00 179.25 180.65 2dls h MET 43 N -0.09 0.19 -0.51 0.00 -1.53 -1.82 -1.20 114.93 109.97 2dls h MET 43 Ca -0.00 -0.01 0.07 0.00 -3.44 0.00 0.00 59.70 56.31 2dls h MET 43 Cb 0.08 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.03 2dls h MET 43 CO 0.00 0.12 0.19 0.87 0.14 0.00 0.00 176.91 178.24 2dls h LYS 44 N 0.19 0.36 0.00 0.39 1.57 -1.71 -0.43 116.57 116.94 2dls h LYS 44 Ca 0.22 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2dls h LYS 44 Cb 0.29 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2dls h LYS 44 CO -0.30 0.24 -0.12 0.00 -0.57 0.00 0.00 179.45 178.70 2dls h ALA 45 N 1.33 1.70 0.00 3.86 0.00 -0.76 -3.46 119.26 121.93 2dls h ALA 45 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dls h ALA 45 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2dls h ALA 45 CO -0.24 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.57 2dls n GLY 46 N -1.12 0.95 3.72 0.00 0.00 -0.17 -4.90 105.19 103.67 2dls n GLY 46 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.63 4.45 0.11 1.61 1.01 -0.64 -5.00 120.40 120.31 2dls s VAL 47 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2dls s VAL 47 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2dls s VAL 47 CO 0.00 0.44 -0.07 -0.54 0.00 0.00 0.00 175.10 174.93 2dls s LYS 48 N -1.42 0.89 0.33 2.72 -0.14 -1.26 -4.36 119.74 116.50 2dls s LYS 48 Ca 0.19 -1.37 -0.27 0.00 -1.36 0.00 0.00 55.97 53.15 2dls s LYS 48 Cb -0.12 -0.29 -0.09 0.00 -1.68 0.00 0.00 37.83 35.65 2dls s LYS 48 CO 0.09 -0.01 1.12 -1.21 -0.76 0.00 0.00 175.35 174.58 2dls s GLU 49 N -3.82 4.42 0.00 1.68 8.01 -1.26 -4.04 118.70 123.69 2dls s GLU 49 Ca 0.13 1.78 0.00 0.00 0.01 0.00 0.00 54.97 56.89 2dls s GLU 49 Cb 0.05 -2.95 0.00 0.00 -4.31 0.00 0.00 34.13 26.91 2dls s GLU 49 CO -0.03 0.02 0.00 0.41 0.01 0.00 0.00 175.26 175.66 2dls n GLY 50 N 0.89 0.99 2.95 -1.39 0.00 -1.23 -5.05 105.19 102.36 2dls n GLY 50 Ca 0.01 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.43 1.07 0.08 1.61 1.11 -1.26 -5.01 116.67 111.85 2dls s ASP 51 Ca 0.00 -0.16 -0.11 0.00 0.18 0.00 0.00 52.55 52.46 2dls s ASP 51 Cb 0.00 -0.40 -0.06 0.00 1.07 0.00 0.00 42.92 43.53 2dls s ASP 51 CO 0.00 0.01 0.42 -0.13 1.18 0.00 0.00 175.17 176.65 2dls s ARG 52 N 0.51 3.80 -0.17 8.23 0.52 -1.26 -3.32 118.95 127.25 2dls s ARG 52 Ca -0.07 0.23 -0.03 0.00 -0.52 0.00 0.00 55.73 55.34 2dls s ARG 52 Cb -0.11 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 2dls s ARG 52 CO 0.01 0.56 -0.07 0.42 0.02 0.00 0.00 175.30 176.24 2dls s ILE 53 N -1.39 3.44 -0.21 1.52 1.01 -1.22 -2.46 121.20 121.90 2dls s ILE 53 Ca 0.33 -0.50 0.13 0.00 0.00 0.00 0.00 60.65 60.61 2dls s ILE 53 Cb -0.14 -2.51 -0.23 0.00 0.01 0.00 0.00 42.46 39.59 2dls s ILE 53 CO 0.18 0.48 0.03 -0.38 0.00 0.00 0.00 174.94 175.25 2dls n ILE 54 N 4.00 1.44 -4.29 2.92 2.08 -1.10 -4.71 119.36 119.70 2dls n ILE 54 Ca -0.18 -0.77 -0.21 0.00 0.56 0.00 0.00 62.75 62.15 2dls n ILE 54 Cb 0.52 -0.79 -0.12 0.00 -0.75 0.00 0.00 39.64 38.50 2dls n ILE 54 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2dls s LYS 55 N -2.51 1.14 -0.18 0.38 2.36 -1.26 -2.87 119.74 116.81 2dls s LYS 55 Ca -0.17 -1.27 -0.06 0.00 -2.55 0.00 0.00 55.97 51.92 2dls s LYS 55 Cb 0.07 -1.21 0.08 0.00 -1.05 0.00 0.00 37.83 35.72 2dls s LYS 55 CO 0.77 0.26 0.37 0.08 1.55 0.00 0.00 175.35 178.37 2dls s VAL 56 N -1.78 -0.55 -1.64 4.02 1.01 0.18 -2.19 120.40 119.45 2dls s VAL 56 Ca 0.10 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 2dls s VAL 56 Cb -0.07 -0.59 0.08 0.00 0.00 0.00 0.00 36.38 35.80 2dls s VAL 56 CO 0.05 0.08 0.33 -0.46 0.00 0.00 0.00 175.10 175.11 2dls n ASN 57 N 5.32 -0.56 0.00 3.32 6.94 0.95 0.17 115.26 131.40 2dls n ASN 57 Ca -0.09 -1.19 0.00 0.00 -0.02 0.00 0.00 54.58 53.29 2dls n ASN 57 Cb 0.50 -2.00 0.00 0.00 -2.36 0.00 0.00 39.78 35.92 2dls n ASN 57 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dls n GLY 58 N -1.93 2.63 3.70 4.83 0.00 -1.26 -4.95 105.19 108.22 2dls n GLY 58 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.47 5.18 0.32 2.61 2.01 0.44 -5.06 115.64 120.66 2dls s THR 59 Ca 0.00 0.89 -0.27 0.00 0.31 0.00 0.00 61.69 62.62 2dls s THR 59 Cb 0.00 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 2dls s THR 59 CO 0.00 0.29 1.00 -0.04 -0.69 0.00 0.00 174.62 175.18 2dls s MET 60 N 0.91 4.55 -0.26 4.92 -1.94 -1.26 0.47 119.30 126.68 2dls s MET 60 Ca 0.24 1.49 0.10 0.00 -1.71 0.00 0.00 55.69 55.80 2dls s MET 60 Cb -0.15 -2.90 0.45 0.00 2.01 0.00 0.00 34.83 34.24 2dls s MET 60 CO 0.09 0.22 1.19 1.33 -0.01 0.00 0.00 175.02 177.84 2dls n VAL 61 N 0.70 2.27 -2.30 -6.03 0.24 -1.14 -4.87 118.33 107.20 2dls n VAL 61 Ca 0.01 -3.76 -0.40 0.00 -2.04 0.00 0.00 64.34 58.15 2dls n VAL 61 Cb 0.48 -0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 32.17 2dls n VAL 61 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2dls s THR 62 N -4.02 3.13 -1.73 3.34 -4.23 -1.26 -3.20 115.64 107.66 2dls s THR 62 Ca 0.45 1.11 -0.18 0.00 -1.18 0.00 0.00 61.69 61.89 2dls s THR 62 Cb 0.39 -3.69 0.16 0.00 1.34 0.00 0.00 72.50 70.70 2dls s THR 62 CO -0.00 0.24 0.66 -0.46 -0.54 0.00 0.00 174.62 174.52 2dls n ASN 63 N 0.87 -2.42 -4.78 3.99 0.23 -1.01 -4.92 115.26 107.22 2dls n ASN 63 Ca 0.00 -1.10 -0.32 0.00 -0.53 0.00 0.00 54.58 52.63 2dls n ASN 63 Cb 0.44 -2.36 -0.07 0.00 -2.08 0.00 0.00 39.78 35.70 2dls n ASN 63 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2dls s SER 64 N -3.42 4.19 0.44 0.53 1.04 -1.20 -4.91 113.70 110.37 2dls s SER 64 Ca 0.68 -1.59 0.07 0.00 0.48 0.00 0.00 55.95 55.59 2dls s SER 64 Cb -0.38 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 2dls s SER 64 CO 0.96 -0.87 0.31 -0.44 0.98 0.00 0.00 173.24 174.19 2dls s SER 65 N -3.92 4.73 0.28 7.02 0.01 -1.26 -3.72 113.70 116.84 2dls s SER 65 Ca 0.10 -0.98 -0.02 0.00 1.31 0.00 0.00 55.95 56.36 2dls s SER 65 Cb 0.01 -0.31 0.39 0.00 0.21 0.00 0.00 66.02 66.32 2dls s SER 65 CO 0.06 -0.72 1.88 -0.74 0.41 0.00 0.00 173.24 174.13 2dls h HIS 66 N 1.11 0.97 -0.29 2.43 2.76 -1.91 -2.49 115.15 117.73 2dls h HIS 66 Ca -0.41 -0.04 0.05 0.00 -2.20 0.00 0.00 60.37 57.77 2dls h HIS 66 Cb 1.27 -0.30 -0.08 0.00 1.55 0.00 0.00 27.41 29.85 2dls h HIS 66 CO 0.66 0.71 -0.50 -0.07 -1.30 0.00 0.00 177.93 177.44 2dls h LEU 67 N 0.97 -1.62 0.82 0.26 -0.00 -1.98 0.14 115.31 113.90 2dls h LEU 67 Ca 0.24 0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 58.29 2dls h LEU 67 Cb 0.11 0.67 0.01 0.00 -0.00 0.00 0.00 40.66 41.45 2dls h LEU 67 CO -0.03 -0.42 -0.39 -0.33 -0.00 0.00 0.00 178.44 177.27 2dls h GLU 68 N -0.44 -1.06 -1.18 1.13 5.08 -1.95 -2.78 114.58 113.37 2dls h GLU 68 Ca 0.08 0.07 0.43 0.00 -1.00 0.00 0.00 59.36 58.94 2dls h GLU 68 Cb 0.62 0.24 -0.15 0.00 0.50 0.00 0.00 28.75 29.96 2dls h GLU 68 CO -0.52 -0.70 0.71 0.28 -1.00 0.00 0.00 179.01 177.78 2dls h VAL 69 N -1.26 0.07 0.17 3.13 2.07 -1.24 -1.20 116.25 117.99 2dls h VAL 69 Ca -0.11 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2dls h VAL 69 Cb 0.85 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2dls h VAL 69 CO 0.19 0.01 -0.08 0.58 0.02 0.00 0.00 177.57 178.29 2dls h VAL 70 N 0.06 0.00 -1.42 2.57 2.07 -0.54 -2.16 116.25 116.84 2dls h VAL 70 Ca 0.84 -0.06 0.44 0.00 0.82 0.00 0.00 66.70 68.75 2dls h VAL 70 Cb 2.41 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.09 2dls h VAL 70 CO -0.58 0.00 0.98 1.17 0.02 0.00 0.00 177.57 179.15 2dls n LYS 71 N -2.75 -0.01 -0.01 1.57 4.81 -0.50 0.23 118.16 121.50 2dls n LYS 71 Ca -0.03 0.98 -0.17 0.00 -0.87 0.00 0.00 58.31 58.23 2dls n LYS 71 Cb 0.09 -2.09 -0.10 0.00 0.02 0.00 0.00 35.03 32.95 2dls n LYS 71 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2dls h LEU 72 N 0.00 0.50 0.33 3.14 3.38 -1.33 -3.24 115.31 118.09 2dls h LEU 72 Ca 0.77 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dls h LEU 72 Cb 2.79 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 43.39 2dls h LEU 72 CO -0.20 1.16 -0.16 0.40 0.09 0.00 0.00 178.44 179.74 2dls h ILE 73 N -0.11 0.70 0.00 1.22 2.04 0.36 -3.32 117.51 118.40 2dls h ILE 73 Ca -0.06 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2dls h ILE 73 Cb 1.22 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2dls h ILE 73 CO 0.10 0.08 0.00 0.29 0.00 0.00 0.00 178.15 178.62 2dls n LYS 74 N -5.19 0.00 -1.42 2.37 5.02 -0.19 -4.25 118.16 114.49 2dls n LYS 74 Ca -0.10 0.79 -0.47 0.00 -2.02 0.00 0.00 58.31 56.51 2dls n LYS 74 Cb 0.25 -1.32 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 2dls n LYS 74 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2dls n SER 75 N -2.23 0.68 0.00 4.39 7.64 -1.22 -4.52 113.62 118.37 2dls n SER 75 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2dls n SER 75 Cb 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 2dls n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dls n GLY 76 N 6.77 3.33 0.28 0.23 0.00 -1.26 -4.85 105.19 109.69 2dls n GLY 76 Ca 0.59 -1.64 0.16 0.00 0.00 0.00 0.00 46.02 45.13 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 1.15 -2.75 4.61 0.00 -1.89 -3.45 119.26 116.93 2dls h ALA 77 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2dls h ALA 77 Cb 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.67 2dls h ALA 77 CO 0.00 0.08 -0.27 1.52 0.00 0.00 0.00 179.25 180.58 2dls s TYR 78 N -4.06 0.58 0.00 0.00 -0.85 -1.26 -2.85 117.35 108.90 2dls s TYR 78 Ca -0.02 -0.90 -0.00 0.00 -0.52 0.00 0.00 57.07 55.62 2dls s TYR 78 Cb 0.12 -0.03 -0.00 0.00 0.38 0.00 0.00 41.96 42.43 2dls s TYR 78 CO 0.53 -0.88 0.00 0.54 -1.52 0.00 0.00 175.55 174.23 2dls s VAL 79 N -4.05 0.02 -0.34 -3.49 0.11 -0.86 -4.96 120.40 106.83 2dls s VAL 79 Ca 0.26 -0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.05 2dls s VAL 79 Cb 0.02 -0.05 -0.02 0.00 -1.53 0.00 0.00 36.38 34.80 2dls s VAL 79 CO 0.09 -0.07 0.27 0.00 -3.33 0.00 0.00 175.10 172.06 2dls s ALA 80 N -0.21 3.51 -0.12 1.54 0.00 -1.26 -1.40 121.76 123.82 2dls s ALA 80 Ca -0.02 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.57 2dls s ALA 80 Cb -0.01 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2dls s ALA 80 CO -0.00 -0.98 0.02 -0.51 0.00 0.00 0.00 175.76 174.29 2dls s LEU 81 N 1.79 3.65 -0.61 0.00 1.43 0.72 -0.03 118.68 125.62 2dls s LEU 81 Ca 0.07 0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 2dls s LEU 81 Cb -0.17 -1.86 0.16 0.00 0.03 0.00 0.00 46.19 44.34 2dls s LEU 81 CO 0.11 0.31 0.49 -0.89 0.23 0.00 0.00 176.35 176.60 2dls s THR 82 N -0.49 4.44 0.01 5.49 2.01 -0.93 -0.53 115.64 125.65 2dls s THR 82 Ca 0.09 -2.32 -0.27 0.00 0.31 0.00 0.00 61.69 59.50 2dls s THR 82 Cb -0.12 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2dls s THR 82 CO 0.02 -0.88 0.85 -0.76 -0.69 0.00 0.00 174.62 173.16 2dls s LEU 83 N 0.61 4.40 -0.07 4.42 1.43 -0.51 -2.69 118.68 126.26 2dls s LEU 83 Ca 0.12 1.50 0.05 0.00 -1.03 0.00 0.00 54.13 54.78 2dls s LEU 83 Cb -0.20 -3.35 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 2dls s LEU 83 CO -0.04 -0.11 -0.23 -0.22 0.23 0.00 0.00 176.35 175.98 2dls s LEU 84 N 0.48 2.04 0.00 1.79 2.96 -1.03 -0.31 118.68 124.62 2dls s LEU 84 Ca 0.44 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2dls s LEU 84 Cb -0.20 -1.32 0.00 0.00 0.50 0.00 0.00 46.19 45.17 2dls s LEU 84 CO 0.24 0.19 0.00 0.61 -1.32 0.00 0.00 176.35 176.08 2dls n GLY 85 N 3.23 0.91 3.92 7.98 0.00 -1.26 -4.26 105.19 115.71 2dls n GLY 85 Ca -0.18 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 2dls n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dls s SER 86 N -1.00 6.05 0.36 1.61 1.04 -1.26 -5.01 113.70 115.49 2dls s SER 86 Ca 0.00 -0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.48 2dls s SER 86 Cb 0.00 -1.71 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 2dls s SER 86 CO 0.00 -0.04 0.48 -0.44 0.98 0.00 0.00 173.24 174.22 2dls s SER 87 N -3.80 5.79 -0.11 7.02 0.01 -1.26 -4.88 113.70 116.46 2dls s SER 87 Ca 0.34 -0.30 -0.31 0.00 1.31 0.00 0.00 55.95 56.98 2dls s SER 87 Cb -0.09 -1.02 -0.15 0.00 0.21 0.00 0.00 66.02 64.98 2dls s SER 87 CO 0.27 -0.53 0.90 -1.54 0.41 0.00 0.00 173.24 172.76 2dls n SER 88 N -1.67 0.26 -3.62 2.44 3.41 -1.26 -4.91 113.62 108.27 2dls n SER 88 Ca 0.02 0.86 -0.28 0.00 -0.26 0.00 0.00 58.87 59.21 2dls n SER 88 Cb 0.59 -0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 2dls n SER 88 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dls s GLY 89 N 0.66 1.85 0.00 5.00 0.00 -1.26 -4.94 107.32 108.64 2dls s GLY 89 Ca 0.70 -2.92 0.11 0.00 0.00 0.00 0.00 44.72 42.62 2dls s GLY 89 CO 0.47 1.67 1.11 -1.55 0.00 0.00 0.00 173.10 174.80 2dls n PRO 90 N 2.74 0.49 -2.69 2.90 -0.04 -1.26 -4.78 135.00 132.35 2dls n PRO 90 Ca 0.22 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.34 2dls n PRO 90 Cb 0.41 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2dls n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dls s SER 91 N -1.87 6.70 0.20 3.54 0.15 -1.26 -4.94 113.70 116.22 2dls s SER 91 Ca 0.17 1.81 -0.18 0.00 0.70 0.00 0.00 55.95 58.45 2dls s SER 91 Cb 0.08 -2.55 0.18 0.00 -1.71 0.00 0.00 66.02 62.02 2dls s SER 91 CO 0.13 -0.53 1.42 -1.20 1.20 0.00 0.00 173.24 174.26 2dls n SER 92 N -0.71 -0.65 0.00 5.45 7.64 -1.26 -5.27 113.62 118.82 2dls n SER 92 Ca 0.08 1.60 0.00 0.00 1.01 0.00 0.00 58.87 61.56 2dls n SER 92 Cb 0.53 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2dls n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64