#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 6.15 -0.26 1.61 0.01 -1.26 -5.04 113.70 114.92 2dls s SER 2 Ca 0.00 -0.92 0.02 0.00 1.31 0.00 0.00 55.95 56.36 2dls s SER 2 Cb 0.00 -2.20 0.06 0.00 0.21 0.00 0.00 66.02 64.10 2dls s SER 2 CO 0.00 -0.57 -0.07 -0.44 0.41 0.00 0.00 173.24 172.57 2dls s SER 3 N 1.99 4.28 -0.31 2.44 0.01 -1.26 -4.94 113.70 115.92 2dls s SER 3 Ca 0.08 -1.40 0.06 0.00 1.31 0.00 0.00 55.95 56.00 2dls s SER 3 Cb -0.19 -1.43 0.23 0.00 0.21 0.00 0.00 66.02 64.84 2dls s SER 3 CO 0.11 -0.22 1.18 0.61 0.41 0.00 0.00 173.24 175.32 2dls n GLY 4 N 4.50 0.48 2.74 3.44 0.00 -1.26 -5.10 105.19 109.98 2dls n GLY 4 Ca -0.12 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2dls n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dls s SER 5 N -0.69 3.58 0.01 1.61 0.15 -1.26 -5.12 113.70 111.98 2dls s SER 5 Ca 0.11 -1.29 0.08 0.00 0.70 0.00 0.00 55.95 55.55 2dls s SER 5 Cb 0.24 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.77 2dls s SER 5 CO -0.06 -0.36 -0.26 -0.44 1.20 0.00 0.00 173.24 173.32 2dls s SER 6 N 1.72 3.06 0.00 5.45 0.01 -1.26 -5.09 113.70 117.58 2dls s SER 6 Ca 0.05 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2dls s SER 6 Cb -0.17 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2dls s SER 6 CO -0.18 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2dls n GLY 7 N 2.13 -0.29 3.75 3.44 0.00 -1.26 -5.00 105.19 107.97 2dls n GLY 7 Ca -0.16 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 2.88 -0.03 1.61 0.11 -1.26 -4.71 120.40 117.00 2dls s VAL 8 Ca 0.00 0.43 0.05 0.00 -2.93 0.00 0.00 61.98 59.54 2dls s VAL 8 Cb 0.00 -2.98 -0.01 0.00 -1.53 0.00 0.00 36.38 31.86 2dls s VAL 8 CO 0.00 -0.23 -0.19 0.00 -3.33 0.00 0.00 175.10 171.35 2dls s GLN 9 N -3.93 1.70 -0.02 1.54 -2.07 -1.26 -2.34 119.66 113.28 2dls s GLN 9 Ca 0.70 -0.68 0.06 0.00 -1.82 0.00 0.00 55.36 53.62 2dls s GLN 9 Cb -0.24 -1.57 -0.03 0.00 -1.09 0.00 0.00 33.01 30.08 2dls s GLN 9 CO 0.41 0.36 -0.19 0.50 -1.32 0.00 0.00 175.29 175.05 2dls s ARG 10 N -0.29 2.26 -0.12 9.60 3.52 0.20 -4.96 118.95 129.17 2dls s ARG 10 Ca 0.03 -0.84 -0.16 0.00 -0.13 0.00 0.00 55.73 54.63 2dls s ARG 10 Cb -0.09 -2.22 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 2dls s ARG 10 CO 0.00 0.58 0.40 0.00 -0.81 0.00 0.00 175.30 175.48 2dls s VAL 12 N 0.32 0.80 -0.12 0.00 0.11 -1.00 -5.01 120.40 115.50 2dls s VAL 12 Ca 0.22 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 2dls s VAL 12 Cb -0.15 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 2dls s VAL 12 CO 0.08 0.23 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.26 2dls s ILE 13 N -0.21 1.82 -0.20 7.04 1.01 -1.26 -1.64 121.20 127.77 2dls s ILE 13 Ca 0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 2dls s ILE 13 Cb -0.04 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2dls s ILE 13 CO -0.00 0.51 -0.00 -0.63 0.00 0.00 0.00 174.94 174.81 2dls s ILE 14 N 0.79 3.93 -0.15 2.92 1.01 -1.12 -4.83 121.20 123.76 2dls s ILE 14 Ca -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 2dls s ILE 14 Cb -0.16 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 2dls s ILE 14 CO 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 174.94 175.25 2dls s GLN 15 N 0.97 3.35 -0.44 2.79 -2.07 -1.26 -2.34 119.66 120.65 2dls s GLN 15 Ca 0.01 -0.69 -0.30 0.00 -1.82 0.00 0.00 55.36 52.56 2dls s GLN 15 Cb -0.14 -2.68 -0.14 0.00 -1.09 0.00 0.00 33.01 28.96 2dls s GLN 15 CO 0.02 0.12 1.63 1.63 -1.32 0.00 0.00 175.29 177.37 2dls n LYS 16 N 3.81 0.00 -0.10 9.60 5.02 -1.21 -4.77 118.16 130.51 2dls n LYS 16 Ca -0.18 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.93 2dls n LYS 16 Cb 0.52 -1.09 -0.08 0.00 -0.02 0.00 0.00 35.03 34.37 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 5.89 1.95 -2.69 4.39 -0.08 -1.26 -4.68 116.55 120.07 2dls n ASP 17 Ca 0.41 0.08 -0.32 0.00 -1.51 0.00 0.00 54.79 53.45 2dls n ASP 17 Cb -0.02 -0.44 0.02 0.00 2.34 0.00 0.00 41.12 43.02 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 -3.48 3.19 -3.64 -0.67 3.00 -1.26 -4.87 117.38 109.65 2dls n GLN 18 Ca -0.36 -4.12 -0.23 0.00 -0.01 0.00 0.00 57.00 52.27 2dls n GLN 18 Cb 0.81 -2.26 0.07 0.00 0.00 0.00 0.00 30.24 28.85 2dls n GLN 18 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2dls n HIS 19 N -0.49 -2.52 0.00 1.08 8.25 -1.26 -4.86 115.22 115.42 2dls n HIS 19 Ca 0.45 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.87 2dls n HIS 19 Cb 0.48 -4.78 0.00 0.00 1.12 0.00 0.00 29.99 26.81 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 -1.71 4.34 3.25 -1.41 0.00 -1.26 -5.12 105.19 103.28 2dls n GLY 20 Ca -0.08 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 2dls n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dls n PHE 21 N -1.48 -2.32 -2.69 1.61 3.72 -1.26 -4.55 117.46 110.49 2dls n PHE 21 Ca 0.00 -0.27 0.02 0.00 -0.05 0.00 0.00 57.45 57.15 2dls n PHE 21 Cb 0.00 -1.49 0.04 0.00 -0.94 0.00 0.00 39.48 37.09 2dls n PHE 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dls n GLY 22 N 1.82 1.46 2.80 1.37 0.00 -1.26 -4.91 105.19 106.46 2dls n GLY 22 Ca 0.06 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.18 0.46 -0.09 1.61 -0.71 -1.26 -0.04 117.98 115.76 2dls s PHE 23 Ca 0.29 -0.05 -0.01 0.00 -1.04 0.00 0.00 56.93 56.12 2dls s PHE 23 Cb 0.35 -0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 2dls s PHE 23 CO -0.09 -0.21 -0.03 0.95 -1.34 0.00 0.00 175.22 174.50 2dls s THR 24 N 1.45 4.00 0.46 -4.49 -4.23 -1.02 -5.00 115.64 106.82 2dls s THR 24 Ca -0.03 -0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.18 2dls s THR 24 Cb -0.13 -2.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 2dls s THR 24 CO -0.03 0.58 0.15 0.68 -0.54 0.00 0.00 174.62 175.46 2dls s VAL 25 N -0.59 1.90 -0.29 2.29 -7.23 -1.26 0.38 120.40 115.59 2dls s VAL 25 Ca 0.09 -1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 58.30 2dls s VAL 25 Cb -0.12 -2.68 0.13 0.00 0.56 0.00 0.00 36.38 34.28 2dls s VAL 25 CO 0.02 0.00 0.97 -0.94 -0.31 0.00 0.00 175.10 174.84 2dls s SER 26 N -3.93 -0.53 0.00 4.85 1.04 -1.15 -4.81 113.70 109.18 2dls s SER 26 Ca 0.31 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2dls s SER 26 Cb 0.03 1.13 0.00 0.00 0.10 0.00 0.00 66.02 67.29 2dls s SER 26 CO 0.17 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.86 2dls n GLY 27 N 3.36 4.61 0.00 7.32 0.00 -1.26 -3.68 105.19 115.54 2dls n GLY 27 Ca -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2dls n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dls n ASP 28 N 0.00 0.00 0.00 1.61 2.03 -1.26 -2.95 116.55 115.98 2dls n ASP 28 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 2dls n ASP 28 Cb 0.00 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 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 -1.22 0.00 -3.63 -0.67 0.63 -1.26 -3.09 116.66 107.41 2dls n ARG 29 Ca 0.00 0.33 -0.37 0.00 -0.92 0.00 0.00 57.85 56.89 2dls n ARG 29 Cb 0.00 -1.26 -0.06 0.00 0.45 0.00 0.00 32.46 31.58 2dls n ARG 29 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2dls s ILE 30 N -2.10 5.23 -0.36 5.15 -0.00 -1.25 -3.37 121.20 124.50 2dls s ILE 30 Ca 0.00 0.58 -0.12 0.00 -0.00 0.00 0.00 60.65 61.11 2dls s ILE 30 Cb 0.00 -3.60 0.01 0.00 -0.00 0.00 0.00 42.46 38.87 2dls s ILE 30 CO 0.00 0.56 0.22 -0.69 -0.00 0.00 0.00 174.94 175.04 2dls s VAL 31 N -0.80 4.92 0.06 8.37 1.01 -1.26 -4.37 120.40 128.33 2dls s VAL 31 Ca 0.20 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.66 2dls s VAL 31 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2dls s VAL 31 CO 0.09 -0.13 -0.03 -0.76 0.00 0.00 0.00 175.10 174.27 2dls s LEU 32 N 1.64 3.35 -0.10 3.92 1.43 -1.24 -1.41 118.68 126.27 2dls s LEU 32 Ca 0.04 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 2dls s LEU 32 Cb -0.18 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2dls s LEU 32 CO 0.08 0.21 1.70 -0.69 0.23 0.00 0.00 176.35 177.88 2dls s VAL 33 N -1.20 3.54 -0.10 -1.59 1.01 -0.99 -2.91 120.40 118.16 2dls s VAL 33 Ca 0.22 0.64 -0.25 0.00 0.00 0.00 0.00 61.98 62.60 2dls s VAL 33 Cb -0.11 -3.47 -0.21 0.00 0.00 0.00 0.00 36.38 32.58 2dls s VAL 33 CO 0.14 -0.12 0.84 -0.61 0.00 0.00 0.00 175.10 175.35 2dls h GLN 34 N 10.24 -0.03 -2.75 2.72 5.75 -0.39 -3.22 115.11 127.42 2dls h GLN 34 Ca -0.38 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.02 2dls h GLN 34 Cb 1.18 0.01 -0.19 0.00 1.07 0.00 0.00 27.48 29.54 2dls h GLN 34 CO 0.97 0.71 -0.13 0.45 -2.65 0.00 0.00 178.83 178.17 2dls s SER 35 N -5.95 -0.33 -0.28 -0.69 0.15 -1.12 -4.92 113.70 100.56 2dls s SER 35 Ca -0.16 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.75 2dls s SER 35 Cb -0.01 0.39 0.08 0.00 -1.71 0.00 0.00 66.02 64.76 2dls s SER 35 CO 0.61 -0.52 -0.01 -0.69 1.20 0.00 0.00 173.24 173.83 2dls s VAL 36 N -1.44 1.69 0.10 4.45 1.01 -1.26 -2.42 120.40 122.53 2dls s VAL 36 Ca -0.12 -1.59 -0.26 0.00 0.00 0.00 0.00 61.98 60.01 2dls s VAL 36 Cb -0.03 -2.06 -0.15 0.00 0.00 0.00 0.00 36.38 34.14 2dls s VAL 36 CO 0.05 -0.31 0.60 -1.14 0.00 0.00 0.00 175.10 174.29 2dls n ARG 37 N 4.56 0.00 -2.06 2.72 3.00 0.94 -4.69 116.66 121.13 2dls n ARG 37 Ca -0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.51 2dls n ARG 37 Cb 0.43 -0.97 -0.06 0.00 0.00 0.00 0.00 32.46 31.87 2dls n ARG 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2dls s PRO 38 N -0.48 2.50 0.00 -0.14 0.04 -1.26 -3.08 135.00 132.58 2dls s PRO 38 Ca 0.60 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 60.68 2dls s PRO 38 Cb -0.86 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 28.48 2dls s PRO 38 CO 0.45 -3.85 0.00 0.41 0.04 0.00 0.00 177.00 174.05 2dls n GLY 39 N 6.05 0.69 0.00 0.56 0.00 -1.26 -5.11 105.19 106.11 2dls n GLY 39 Ca 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.17 0.67 0.05 -0.02 0.00 -1.18 -5.01 105.19 99.53 2dls n GLY 40 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 1.77 0.08 4.61 0.00 -1.26 -4.33 120.51 118.37 2dls n ALA 41 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 2dls n ALA 41 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 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 0.45 0.39 -0.31 0.00 0.00 -1.92 -2.15 119.26 115.71 2dls h ALA 42 Ca -0.25 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 53.82 2dls h ALA 42 Cb 1.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2dls h ALA 42 CO 0.01 0.88 -0.16 1.98 0.00 0.00 0.00 179.25 181.96 2dls h MET 43 N 0.16 0.66 0.00 0.00 -1.53 -1.82 -1.06 114.93 111.35 2dls h MET 43 Ca -0.07 -0.29 -0.12 0.00 -3.44 0.00 0.00 59.70 55.77 2dls h MET 43 Cb 1.61 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 32.62 2dls h MET 43 CO 0.16 0.89 -0.58 1.57 0.14 0.00 0.00 176.91 179.08 2dls h LYS 44 N 0.43 0.00 -0.10 0.39 2.10 -1.75 -3.02 116.57 114.61 2dls h LYS 44 Ca 0.07 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.66 2dls h LYS 44 Cb 0.69 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.01 2dls h LYS 44 CO 0.05 0.58 -0.19 0.00 -2.00 0.00 0.00 179.45 177.89 2dls h ALA 45 N 1.42 1.50 0.00 0.07 0.00 -1.27 -3.46 119.26 117.52 2dls h ALA 45 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2dls h ALA 45 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2dls h ALA 45 CO 0.08 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2dls n GLY 46 N -0.81 1.93 3.44 0.00 0.00 -1.10 -4.68 105.19 103.97 2dls n GLY 46 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.93 3.20 0.35 1.61 1.01 -0.42 -5.03 120.40 119.19 2dls s VAL 47 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2dls s VAL 47 Cb 0.00 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 2dls s VAL 47 CO 0.00 0.55 0.11 2.29 0.00 0.00 0.00 175.10 178.06 2dls n LYS 48 N 2.96 0.66 -1.96 2.72 0.00 -1.26 -4.07 118.16 117.21 2dls n LYS 48 Ca -0.18 -2.93 -0.34 0.00 -0.00 0.00 0.00 58.31 54.86 2dls n LYS 48 Cb 0.53 1.53 0.03 0.00 -0.00 0.00 0.00 35.03 37.12 2dls n LYS 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2dls s GLU 49 N -3.33 3.00 -0.83 -1.58 0.41 -1.26 -3.58 118.70 111.53 2dls s GLU 49 Ca 0.16 1.54 -0.02 0.00 -0.41 0.00 0.00 54.97 56.24 2dls s GLU 49 Cb 0.01 -1.96 0.00 0.00 -1.78 0.00 0.00 34.13 30.40 2dls s GLU 49 CO 0.11 -1.12 0.25 0.41 -0.49 0.00 0.00 175.26 174.42 2dls n GLY 50 N -0.10 0.03 3.34 -1.39 0.00 -1.22 -4.97 105.19 100.89 2dls n GLY 50 Ca 0.11 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.78 5.73 -0.25 1.61 1.11 -1.23 -4.89 116.67 115.97 2dls s ASP 51 Ca 0.12 -1.18 -0.24 0.00 0.18 0.00 0.00 52.55 51.44 2dls s ASP 51 Cb -0.05 -2.02 -0.01 0.00 1.07 0.00 0.00 42.92 41.91 2dls s ASP 51 CO 0.15 -0.45 0.81 -0.60 1.18 0.00 0.00 175.17 176.26 2dls s ARG 52 N 1.52 4.17 0.02 8.23 3.52 -1.26 -2.35 118.95 132.80 2dls s ARG 52 Ca 0.02 0.90 -0.18 0.00 -0.13 0.00 0.00 55.73 56.34 2dls s ARG 52 Cb -0.21 -3.65 -0.06 0.00 -1.56 0.00 0.00 34.95 29.48 2dls s ARG 52 CO 0.05 -0.52 0.53 0.42 -0.81 0.00 0.00 175.30 174.97 2dls s ILE 53 N 2.82 4.89 -0.19 4.11 1.01 -0.50 -3.17 121.20 130.17 2dls s ILE 53 Ca 0.34 1.11 -0.08 0.00 0.00 0.00 0.00 60.65 62.02 2dls s ILE 53 Cb -0.15 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 2dls s ILE 53 CO 0.08 0.51 -0.24 -0.38 0.00 0.00 0.00 174.94 174.91 2dls n ILE 54 N 2.17 1.05 -4.33 2.92 5.41 -0.55 -4.30 119.36 121.73 2dls n ILE 54 Ca -0.10 -0.29 -0.21 0.00 1.00 0.00 0.00 62.75 63.15 2dls n ILE 54 Cb 0.51 -1.67 -0.11 0.00 -0.71 0.00 0.00 39.64 37.66 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 -2.35 1.27 -0.28 0.38 2.20 -1.26 -2.21 119.74 117.49 2dls s LYS 55 Ca -0.26 -1.43 -0.01 0.00 -0.36 0.00 0.00 55.97 53.91 2dls s LYS 55 Cb 0.10 -1.28 0.09 0.00 -1.51 0.00 0.00 37.83 35.23 2dls s LYS 55 CO 0.35 0.25 0.06 0.08 -0.36 0.00 0.00 175.35 175.73 2dls s VAL 56 N -2.20 1.01 -0.82 4.02 1.01 0.40 -1.54 120.40 122.29 2dls s VAL 56 Ca 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.84 2dls s VAL 56 Cb -0.05 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2dls s VAL 56 CO 0.07 -0.52 0.00 -3.20 0.00 0.00 0.00 175.10 171.45 2dls n ASN 57 N 4.81 -3.14 0.00 3.32 2.85 0.21 -0.45 115.26 122.86 2dls n ASN 57 Ca -0.04 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 2dls n ASN 57 Cb 0.43 -2.73 0.00 0.00 1.24 0.00 0.00 39.78 38.72 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 -0.68 3.15 3.59 8.20 0.00 -1.26 -4.99 105.19 113.19 2dls n GLY 58 Ca -0.11 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.18 3.57 -0.42 2.61 2.01 0.40 -4.94 115.64 118.70 2dls s THR 59 Ca 0.00 0.54 -0.28 0.00 0.31 0.00 0.00 61.69 62.26 2dls s THR 59 Cb 0.00 -3.89 -0.00 0.00 0.01 0.00 0.00 72.50 68.62 2dls s THR 59 CO 0.00 -0.65 1.62 -0.32 -0.69 0.00 0.00 174.62 174.59 2dls s MET 60 N 5.76 3.34 -0.22 4.92 1.75 -1.26 -0.45 119.30 133.13 2dls s MET 60 Ca 0.71 1.04 0.11 0.00 -1.25 0.00 0.00 55.69 56.30 2dls s MET 60 Cb -0.18 -4.15 0.68 0.00 2.84 0.00 0.00 34.83 34.02 2dls s MET 60 CO 0.30 -1.86 1.57 1.33 -0.65 0.00 0.00 175.02 175.72 2dls n VAL 61 N 7.21 2.38 -0.28 10.11 0.24 -0.94 -4.62 118.33 132.43 2dls n VAL 61 Ca 0.19 -1.22 0.17 0.00 -2.04 0.00 0.00 64.34 61.44 2dls n VAL 61 Cb 0.48 -0.34 0.33 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.38 -0.35 -3.37 3.34 -2.24 -1.10 -2.03 114.28 108.91 2dls n THR 62 Ca 0.26 1.78 -0.26 0.00 -2.27 0.00 0.00 64.05 63.56 2dls n THR 62 Cb 1.10 -2.70 -0.08 0.00 -2.10 0.00 0.00 70.33 66.54 2dls n THR 62 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2dls n ASN 63 N -5.08 1.38 -3.85 3.42 6.94 -1.24 -3.97 115.26 112.85 2dls n ASN 63 Ca 0.24 -2.90 -0.12 0.00 -0.02 0.00 0.00 54.58 51.78 2dls n ASN 63 Cb 0.80 -0.65 -0.13 0.00 -2.36 0.00 0.00 39.78 37.44 2dls n ASN 63 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2dls s SER 64 N -1.35 -0.06 0.81 0.53 0.01 -0.86 -4.93 113.70 107.85 2dls s SER 64 Ca 0.35 0.11 -0.13 0.00 1.31 0.00 0.00 55.95 57.59 2dls s SER 64 Cb 0.12 0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.56 2dls s SER 64 CO -0.11 -0.03 1.17 -0.44 0.41 0.00 0.00 173.24 174.24 2dls s SER 65 N -0.03 3.71 0.13 2.44 0.01 -1.20 -4.46 113.70 114.31 2dls s SER 65 Ca -0.01 2.25 -0.32 0.00 1.31 0.00 0.00 55.95 59.18 2dls s SER 65 Cb -0.01 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 2dls s SER 65 CO 0.00 -2.58 1.56 -0.74 0.41 0.00 0.00 173.24 171.89 2dls h HIS 66 N -0.99 -1.52 -0.99 2.43 2.76 -1.77 -2.04 115.15 113.01 2dls h HIS 66 Ca -0.45 0.07 0.12 0.00 -2.20 0.00 0.00 60.37 57.90 2dls h HIS 66 Cb 1.28 0.70 -0.14 0.00 1.55 0.00 0.00 27.41 30.80 2dls h HIS 66 CO 0.49 -0.51 -0.50 1.28 -1.30 0.00 0.00 177.93 177.40 2dls n LEU 67 N -5.42 -0.87 -0.35 0.26 4.77 -1.26 0.13 117.00 114.26 2dls n LEU 67 Ca -0.04 1.75 0.25 0.00 -0.03 0.00 0.00 56.01 57.94 2dls n LEU 67 Cb 0.36 -0.31 0.51 0.00 -2.33 0.00 0.00 43.42 41.65 2dls n LEU 67 CO 0.06 -1.50 1.19 -0.33 -1.33 0.00 0.00 177.39 175.48 2dls h GLU 68 N 0.00 0.34 0.08 3.23 5.08 -1.73 0.46 114.58 122.05 2dls h GLU 68 Ca 0.24 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.33 2dls h GLU 68 Cb 0.49 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2dls h GLU 68 CO -0.96 0.22 -1.13 0.28 -1.00 0.00 0.00 179.01 176.43 2dls h VAL 69 N 0.35 1.46 -0.16 3.13 2.07 0.14 -3.16 116.25 120.07 2dls h VAL 69 Ca 0.68 -2.83 0.01 0.00 0.82 0.00 0.00 66.70 65.38 2dls h VAL 69 Cb 1.71 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 34.22 2dls h VAL 69 CO -0.43 0.83 0.09 0.58 0.02 0.00 0.00 177.57 178.66 2dls h VAL 70 N 0.13 1.01 -0.92 2.57 2.07 0.32 -1.34 116.25 120.08 2dls h VAL 70 Ca -0.11 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2dls h VAL 70 Cb 1.82 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 2dls h VAL 70 CO 0.19 0.03 0.57 0.07 0.02 0.00 0.00 177.57 178.45 2dls h LYS 71 N 0.19 1.24 -0.61 1.57 2.10 -1.30 -0.61 116.57 119.15 2dls h LYS 71 Ca 0.06 -0.10 -0.05 0.00 -2.00 0.00 0.00 60.65 58.56 2dls h LYS 71 Cb 0.00 -0.27 -0.03 0.00 -0.90 0.00 0.00 32.23 31.04 2dls h LYS 71 CO -0.04 0.86 0.18 -0.07 -2.00 0.00 0.00 179.45 178.38 2dls h LEU 72 N 1.27 0.86 0.02 7.07 3.38 -1.43 -2.64 115.31 123.84 2dls h LEU 72 Ca 0.33 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2dls h LEU 72 Cb -0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.45 2dls h LEU 72 CO -0.06 0.82 -0.01 0.40 0.09 0.00 0.00 178.44 179.67 2dls h ILE 73 N 0.89 1.37 -0.60 1.22 2.04 -0.62 -3.27 117.51 118.54 2dls h ILE 73 Ca 0.20 -1.25 0.12 0.00 1.00 0.00 0.00 64.86 64.92 2dls h ILE 73 Cb 0.28 2.21 -0.12 0.00 -0.74 0.00 0.00 36.82 38.45 2dls h ILE 73 CO -0.01 0.32 -0.18 0.11 0.00 0.00 0.00 178.15 178.39 2dls h LYS 74 N -0.58 -0.03 -6.40 2.37 1.57 -1.05 -3.40 116.57 109.05 2dls h LYS 74 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.20 2dls h LYS 74 Cb 0.54 0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.89 2dls h LYS 74 CO 0.00 -0.02 1.05 0.45 -0.57 0.00 0.00 179.45 180.37 2dls n SER 75 N -5.43 3.62 0.00 0.86 2.88 -1.00 -4.66 113.62 109.88 2dls n SER 75 Ca 0.07 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2dls n SER 75 Cb 0.33 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 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 4.15 -0.45 0.16 0.46 0.00 -1.26 -4.76 105.19 103.49 2dls n GLY 76 Ca 0.20 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 0.45 -4.79 4.61 0.00 -1.90 -3.45 119.26 114.19 2dls h ALA 77 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 54.91 54.44 2dls h ALA 77 Cb 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 2dls h ALA 77 CO 0.00 -0.05 -0.29 2.48 0.00 0.00 0.00 179.25 181.39 2dls n TYR 78 N -4.80 0.46 -3.68 0.00 0.18 -1.26 -3.29 117.16 104.77 2dls n TYR 78 Ca -0.00 -1.61 -0.11 0.00 1.88 0.00 0.00 57.90 58.06 2dls n TYR 78 Cb 0.05 -0.23 -0.09 0.00 -0.38 0.00 0.00 39.34 38.69 2dls n TYR 78 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2dls s VAL 79 N -2.11 -0.01 -0.16 -3.48 0.11 -0.99 -4.95 120.40 108.81 2dls s VAL 79 Ca 0.04 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.95 2dls s VAL 79 Cb -0.00 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2dls s VAL 79 CO 0.02 0.01 0.45 0.00 -3.33 0.00 0.00 175.10 172.26 2dls s ALA 80 N 1.07 3.52 -0.03 1.54 0.00 -1.26 -2.77 121.76 123.83 2dls s ALA 80 Ca -0.06 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.60 2dls s ALA 80 Cb -0.06 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 2dls s ALA 80 CO -0.10 -0.17 -0.18 -0.51 0.00 0.00 0.00 175.76 174.80 2dls s LEU 81 N 1.02 1.97 -0.45 0.00 1.43 -0.65 0.66 118.68 122.66 2dls s LEU 81 Ca 0.23 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.83 2dls s LEU 81 Cb -0.15 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 45.16 2dls s LEU 81 CO 0.09 0.19 0.39 -0.89 0.23 0.00 0.00 176.35 176.35 2dls s THR 82 N -0.18 5.21 -0.12 5.49 2.01 -0.59 -2.38 115.64 125.07 2dls s THR 82 Ca 0.01 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.06 2dls s THR 82 Cb -0.09 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2dls s THR 82 CO 0.01 -0.51 0.16 -0.76 -0.69 0.00 0.00 174.62 172.83 2dls s LEU 83 N 1.75 4.37 -0.02 4.42 1.43 -0.91 -1.48 118.68 128.25 2dls s LEU 83 Ca 0.06 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2dls s LEU 83 Cb -0.22 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 2dls s LEU 83 CO 0.08 0.37 -0.21 -0.22 0.23 0.00 0.00 176.35 176.60 2dls s LEU 84 N -0.81 2.04 0.00 1.79 0.20 -1.19 -0.63 118.68 120.07 2dls s LEU 84 Ca 0.15 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.58 2dls s LEU 84 Cb -0.12 -1.09 0.00 0.00 -0.43 0.00 0.00 46.19 44.55 2dls s LEU 84 CO 0.04 0.26 0.00 0.61 -0.29 0.00 0.00 176.35 176.97 2dls n GLY 85 N 2.58 1.98 3.79 7.98 0.00 -0.99 -4.51 105.19 116.02 2dls n GLY 85 Ca -0.15 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 3.52 0.18 1.61 1.04 -1.26 -5.03 113.70 113.76 2dls s SER 86 Ca 0.00 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.40 2dls s SER 86 Cb 0.00 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.58 2dls s SER 86 CO 0.00 -2.54 0.00 -0.24 0.98 0.00 0.00 173.24 171.44 2dls n SER 87 N -3.76 0.37 -4.50 7.02 2.88 -1.26 -5.01 113.62 109.35 2dls n SER 87 Ca 0.07 0.30 -0.42 0.00 -1.33 0.00 0.00 58.87 57.48 2dls n SER 87 Cb 0.59 0.07 -0.08 0.00 -0.75 0.00 0.00 64.21 64.04 2dls n SER 87 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dls n SER 88 N -3.38 1.61 0.00 -3.46 2.88 -1.26 -4.47 113.62 105.54 2dls n SER 88 Ca 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2dls n SER 88 Cb 0.00 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 2dls n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dls n GLY 89 N 6.34 -0.58 3.55 0.46 0.00 -1.26 -5.07 105.19 108.64 2dls n GLY 89 Ca 0.48 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 46.60 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 0.32 2.60 -0.08 1.61 0.04 -1.26 -4.94 135.00 133.29 2dls s PRO 90 Ca 0.00 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 2dls s PRO 90 Cb 0.00 -4.68 -0.06 0.00 0.04 0.00 0.00 34.50 29.80 2dls s PRO 90 CO 0.00 -3.01 1.82 0.45 0.04 0.00 0.00 177.00 176.30 2dls s SER 91 N 8.06 6.38 -1.81 6.66 0.15 -1.26 -2.79 113.70 129.09 2dls s SER 91 Ca 0.68 2.20 -0.21 0.00 0.70 0.00 0.00 55.95 59.33 2dls s SER 91 Cb -0.10 -2.53 0.20 0.00 -1.71 0.00 0.00 66.02 61.88 2dls s SER 91 CO 0.11 -1.17 0.64 -0.24 1.20 0.00 0.00 173.24 173.78 2dls n SER 92 N 8.14 -2.19 0.00 5.45 2.88 -1.26 -5.30 113.62 121.34 2dls n SER 92 Ca 0.20 -1.17 0.14 0.00 -1.33 0.00 0.00 58.87 56.71 2dls n SER 92 Cb 0.43 -1.99 0.81 0.00 -0.75 0.00 0.00 64.21 62.71 2dls n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42