#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 -4.65 -4.81 1.61 7.64 -1.26 -4.98 113.62 107.18 2dls n SER 2 Ca 0.00 -0.68 -0.30 0.00 1.01 0.00 0.00 58.87 58.90 2dls n SER 2 Cb 0.00 -4.44 -0.06 0.00 -1.01 0.00 0.00 64.21 58.70 2dls n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dls s SER 3 N -3.55 5.69 -0.30 6.43 1.04 -1.26 -5.06 113.70 116.69 2dls s SER 3 Ca 0.49 0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.81 2dls s SER 3 Cb -0.23 -1.57 0.19 0.00 0.10 0.00 0.00 66.02 64.51 2dls s SER 3 CO 0.78 0.16 1.16 -0.83 0.98 0.00 0.00 173.24 175.49 2dls s GLY 4 N -2.52 -1.64 -1.46 7.32 0.00 -1.26 -4.96 107.32 102.80 2dls s GLY 4 Ca 0.31 1.53 -0.08 0.00 0.00 0.00 0.00 44.72 46.48 2dls s GLY 4 CO 0.23 4.47 0.71 1.44 0.00 0.00 0.00 173.10 179.96 2dls n SER 5 N 3.47 -5.32 -4.42 1.64 7.64 -1.26 -4.95 113.62 110.42 2dls n SER 5 Ca 0.04 -0.42 -0.40 0.00 1.01 0.00 0.00 58.87 59.10 2dls n SER 5 Cb 0.65 -4.29 -0.11 0.00 -1.01 0.00 0.00 64.21 59.45 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 -2.88 5.76 -0.10 6.43 0.15 -1.26 -5.08 113.70 116.72 2dls s SER 6 Ca 0.42 -0.77 -0.06 0.00 0.70 0.00 0.00 55.95 56.24 2dls s SER 6 Cb -0.20 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2dls s SER 6 CO 0.52 -0.32 0.15 -0.83 1.20 0.00 0.00 173.24 173.97 2dls s GLY 7 N 1.61 2.17 -0.19 9.45 0.00 -1.26 -5.09 107.32 114.00 2dls s GLY 7 Ca 0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 44.72 44.05 2dls s GLY 7 CO 0.07 -0.42 -0.01 0.54 0.00 0.00 0.00 173.10 173.28 2dls s VAL 8 N -1.09 3.90 0.30 1.40 0.11 -1.26 -4.90 120.40 118.86 2dls s VAL 8 Ca 0.17 -0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 58.78 2dls s VAL 8 Cb -0.12 -2.75 -0.07 0.00 -1.53 0.00 0.00 36.38 31.90 2dls s VAL 8 CO 0.07 0.44 0.65 0.00 -3.33 0.00 0.00 175.10 172.94 2dls s GLN 9 N 0.86 3.84 0.41 1.54 -2.07 -1.26 -3.47 119.66 119.51 2dls s GLN 9 Ca 0.00 0.41 0.04 0.00 -1.82 0.00 0.00 55.36 53.99 2dls s GLN 9 Cb -0.14 -2.53 -0.05 0.00 -1.09 0.00 0.00 33.01 29.20 2dls s GLN 9 CO 0.02 0.19 0.05 1.03 -1.32 0.00 0.00 175.29 175.25 2dls s ARG 10 N -3.15 1.92 -0.19 9.60 0.52 0.40 -4.99 118.95 123.06 2dls s ARG 10 Ca 0.50 -2.14 -0.01 0.00 -0.52 0.00 0.00 55.73 53.56 2dls s ARG 10 Cb -0.11 -1.18 0.01 0.00 0.52 0.00 0.00 34.95 34.19 2dls s ARG 10 CO 0.23 -0.26 -0.14 0.00 0.02 0.00 0.00 175.30 175.15 2dls s VAL 12 N 1.30 0.89 -0.02 0.00 0.11 -1.07 -5.03 120.40 116.58 2dls s VAL 12 Ca 0.04 -0.54 0.04 0.00 -2.93 0.00 0.00 61.98 58.59 2dls s VAL 12 Cb -0.14 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2dls s VAL 12 CO -0.09 0.21 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.12 2dls s ILE 13 N -0.35 1.18 -0.13 7.04 1.01 -1.26 -0.79 121.20 127.90 2dls s ILE 13 Ca 0.04 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.10 2dls s ILE 13 Cb -0.05 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.42 2dls s ILE 13 CO -0.00 0.34 -0.20 -0.63 0.00 0.00 0.00 174.94 174.45 2dls s ILE 14 N -0.15 2.29 -0.28 2.92 1.01 -1.18 -4.72 121.20 121.09 2dls s ILE 14 Ca 0.02 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 2dls s ILE 14 Cb -0.08 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2dls s ILE 14 CO 0.00 0.54 0.13 0.00 0.00 0.00 0.00 174.94 175.62 2dls s GLN 15 N 0.62 3.60 1.22 2.79 -2.07 -1.26 -1.92 119.66 122.64 2dls s GLN 15 Ca -0.11 -0.54 -0.14 0.00 -1.82 0.00 0.00 55.36 52.75 2dls s GLN 15 Cb -0.16 -3.50 0.30 0.00 -1.09 0.00 0.00 33.01 28.55 2dls s GLN 15 CO 0.03 -0.28 0.92 0.36 -1.32 0.00 0.00 175.29 174.99 2dls n LYS 16 N 4.98 -2.76 -3.61 9.60 -0.00 0.03 -4.76 118.16 121.64 2dls n LYS 16 Ca -0.15 -0.78 -0.17 0.00 -0.00 0.00 0.00 58.31 57.21 2dls n LYS 16 Cb 0.51 -2.10 -0.05 0.00 -0.00 0.00 0.00 35.03 33.39 2dls n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2dls n ASP 17 N -4.83 1.00 -0.33 -5.58 9.92 -1.26 -4.91 116.55 110.56 2dls n ASP 17 Ca 0.03 -2.46 0.13 0.00 -0.53 0.00 0.00 54.79 51.95 2dls n ASP 17 Cb 0.55 0.73 0.26 0.00 -0.64 0.00 0.00 41.12 42.02 2dls n ASP 17 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2dls h GLN 18 N 0.00 0.03 0.19 -1.24 4.20 -2.02 0.27 115.11 116.53 2dls h GLN 18 Ca -0.21 -0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.19 2dls h GLN 18 Cb 0.82 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.61 2dls h GLN 18 CO 0.33 0.02 -1.43 1.12 -0.67 0.00 0.00 178.83 178.20 2dls h HIS 19 N 0.03 0.74 0.00 2.96 2.07 -2.03 -3.50 115.15 115.41 2dls h HIS 19 Ca 0.56 -0.54 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 2dls h HIS 19 Cb 1.13 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.08 2dls h HIS 19 CO -0.50 1.45 0.00 0.41 -3.07 0.00 0.00 177.93 176.22 2dls n GLY 20 N 1.66 1.39 3.25 6.13 0.00 0.93 -5.08 105.19 113.46 2dls n GLY 20 Ca -0.14 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.09 -1.49 -2.64 1.61 3.72 -1.26 -4.10 117.46 112.20 2dls n PHE 21 Ca 0.00 0.13 0.02 0.00 -0.05 0.00 0.00 57.45 57.55 2dls n PHE 21 Cb 0.00 -1.54 0.03 0.00 -0.94 0.00 0.00 39.48 37.04 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 2.12 1.37 3.06 1.37 0.00 -1.26 -4.90 105.19 106.93 2dls n GLY 22 Ca 0.01 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.70 0.78 -0.02 1.61 -0.71 -1.26 -0.40 117.98 116.29 2dls s PHE 23 Ca 0.29 -0.34 0.04 0.00 -1.04 0.00 0.00 56.93 55.88 2dls s PHE 23 Cb 0.35 -0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 41.68 2dls s PHE 23 CO -0.10 -0.03 -0.13 0.95 -1.34 0.00 0.00 175.22 174.57 2dls s THR 24 N -0.86 1.03 0.46 -4.49 -4.23 -0.85 -5.03 115.64 101.68 2dls s THR 24 Ca -0.03 -0.54 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 2dls s THR 24 Cb -0.07 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 2dls s THR 24 CO 0.00 0.30 0.11 0.68 -0.54 0.00 0.00 174.62 175.17 2dls s VAL 25 N -0.16 1.77 -0.19 2.29 -7.23 -1.26 0.87 120.40 116.48 2dls s VAL 25 Ca 0.02 -1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 58.07 2dls s VAL 25 Cb -0.07 -2.61 0.11 0.00 0.56 0.00 0.00 36.38 34.37 2dls s VAL 25 CO 0.00 0.00 0.91 -0.55 -0.31 0.00 0.00 175.10 175.15 2dls s SER 26 N -3.90 -0.50 0.00 4.85 0.15 0.28 -4.68 113.70 109.91 2dls s SER 26 Ca 0.27 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2dls s SER 26 Cb 0.04 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 2dls s SER 26 CO 0.15 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dls n GLY 27 N 1.47 3.56 0.23 9.45 0.00 -1.26 -0.13 105.19 118.52 2dls n GLY 27 Ca -0.13 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 2dls n GLY 27 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dls h ASP 28 N 0.00 -0.43 0.00 1.61 3.04 -1.95 -3.18 116.42 115.51 2dls h ASP 28 Ca 0.00 -0.14 -0.37 0.00 -3.24 0.00 0.00 57.03 53.29 2dls h ASP 28 Cb 0.00 0.11 -0.07 0.00 -1.04 0.00 0.00 39.33 38.34 2dls h ASP 28 CO 0.00 -0.03 -2.40 -1.14 -2.04 0.00 0.00 179.24 173.63 2dls n ARG 29 N -5.16 0.64 -3.54 4.15 0.63 -1.26 -3.94 116.66 108.19 2dls n ARG 29 Ca -0.09 0.13 -0.37 0.00 -0.92 0.00 0.00 57.85 56.59 2dls n ARG 29 Cb 0.28 -1.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.65 2dls n ARG 29 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2dls n ILE 30 N -3.17 3.37 -1.79 5.15 2.08 -1.26 -4.78 119.36 118.95 2dls n ILE 30 Ca -0.42 -5.22 -0.42 0.00 0.56 0.00 0.00 62.75 57.25 2dls n ILE 30 Cb 0.98 -2.37 -0.03 0.00 -0.75 0.00 0.00 39.64 37.47 2dls n ILE 30 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2dls s VAL 31 N -1.53 2.25 -0.01 1.39 1.01 -1.25 -4.44 120.40 117.82 2dls s VAL 31 Ca 0.29 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 2dls s VAL 31 Cb -0.05 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 2dls s VAL 31 CO -0.10 0.01 0.05 -0.76 0.00 0.00 0.00 175.10 174.30 2dls s LEU 32 N 1.28 1.86 -0.14 3.92 1.43 0.81 -3.49 118.68 124.34 2dls s LEU 32 Ca 0.74 -0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.47 2dls s LEU 32 Cb -0.48 0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 2dls s LEU 32 CO 0.32 -0.13 1.74 -0.69 0.23 0.00 0.00 176.35 177.82 2dls s VAL 33 N -0.51 3.50 -0.01 -1.59 1.01 -0.75 -0.55 120.40 121.50 2dls s VAL 33 Ca -0.06 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.26 2dls s VAL 33 Cb -0.04 -3.47 -0.17 0.00 0.00 0.00 0.00 36.38 32.70 2dls s VAL 33 CO 0.00 -0.16 1.17 -0.61 0.00 0.00 0.00 175.10 175.50 2dls h GLN 34 N 10.89 -0.23 -2.57 2.72 -0.00 0.20 -3.25 115.11 122.87 2dls h GLN 34 Ca -0.38 0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.25 2dls h GLN 34 Cb 1.18 0.05 -0.15 0.00 0.00 0.00 0.00 27.48 28.56 2dls h GLN 34 CO 0.98 0.15 0.21 -1.12 0.00 0.00 0.00 178.83 179.05 2dls s SER 35 N -5.34 -0.60 -0.02 -0.69 0.01 -1.12 -4.88 113.70 101.07 2dls s SER 35 Ca -0.14 0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.45 2dls s SER 35 Cb 0.02 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 2dls s SER 35 CO 0.57 -0.81 -0.15 -0.69 0.41 0.00 0.00 173.24 172.56 2dls s VAL 36 N -2.69 1.19 0.21 3.43 1.01 -1.26 -2.00 120.40 120.30 2dls s VAL 36 Ca -0.04 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 2dls s VAL 36 Cb -0.01 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.28 2dls s VAL 36 CO -0.04 0.34 1.36 -0.60 0.00 0.00 0.00 175.10 176.16 2dls s ARG 37 N -0.29 4.35 0.00 2.72 6.06 0.47 -4.89 118.95 127.37 2dls s ARG 37 Ca 0.05 2.14 0.15 0.00 -2.50 0.00 0.00 55.73 55.57 2dls s ARG 37 Cb -0.06 -3.17 0.89 0.00 0.06 0.00 0.00 34.95 32.67 2dls s ARG 37 CO -0.00 -0.31 1.36 -0.35 -2.50 0.00 0.00 175.30 173.49 2dls n PRO 38 N 2.60 0.43 -2.70 5.12 -0.04 -1.26 -3.35 135.00 135.80 2dls n PRO 38 Ca 0.07 0.03 -0.04 0.00 -0.04 0.00 0.00 63.50 63.52 2dls n PRO 38 Cb 0.42 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.72 0.00 0.55 0.00 -1.26 -5.06 105.19 101.11 2dls n GLY 39 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.97 3.14 0.05 -0.02 0.00 -1.21 -5.08 105.19 101.10 2dls n GLY 40 Ca -0.07 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.56 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 1.76 -0.12 4.61 0.00 -1.26 -4.42 120.51 118.07 2dls n ALA 41 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.78 2dls n ALA 41 Cb 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 0.28 0.48 -0.41 0.00 0.00 -1.90 -2.81 119.26 114.90 2dls h ALA 42 Ca -0.25 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2dls h ALA 42 Cb 1.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2dls h ALA 42 CO -0.01 0.05 0.25 1.98 0.00 0.00 0.00 179.25 181.52 2dls h MET 43 N 0.46 0.48 -0.61 0.00 -1.53 -1.77 -2.56 114.93 109.39 2dls h MET 43 Ca 0.13 -0.03 0.11 0.00 -3.44 0.00 0.00 59.70 56.47 2dls h MET 43 Cb 0.14 -0.11 -0.09 0.00 -0.55 0.00 0.00 31.60 30.99 2dls h MET 43 CO -0.01 0.32 0.15 0.87 0.14 0.00 0.00 176.91 178.37 2dls h LYS 44 N 0.50 0.27 -0.01 0.39 1.57 -1.73 0.18 116.57 117.74 2dls h LYS 44 Ca 0.16 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2dls h LYS 44 Cb -0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2dls h LYS 44 CO -0.07 0.18 0.01 0.00 -0.57 0.00 0.00 179.45 179.00 2dls h ALA 45 N 1.48 1.91 0.00 3.86 0.00 -1.21 -3.46 119.26 121.84 2dls h ALA 45 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2dls h ALA 45 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dls h ALA 45 CO -0.40 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2dls n GLY 46 N -1.50 0.79 3.32 0.00 0.00 0.65 -4.90 105.19 103.54 2dls n GLY 46 Ca -0.03 0.00 -0.32 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 -0.89 2.27 0.20 1.61 1.01 -1.11 -5.03 120.40 118.46 2dls s VAL 47 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2dls s VAL 47 Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 2dls s VAL 47 CO 0.00 0.57 0.06 -1.59 0.00 0.00 0.00 175.10 174.14 2dls s LYS 48 N -0.34 1.21 0.56 2.72 -2.85 -1.26 -4.37 119.74 115.41 2dls s LYS 48 Ca 0.02 -1.62 -0.21 0.00 -1.00 0.00 0.00 55.97 53.16 2dls s LYS 48 Cb -0.12 -0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.46 2dls s LYS 48 CO 0.02 -0.24 1.33 0.39 0.10 0.00 0.00 175.35 176.95 2dls n GLU 49 N -0.31 1.57 -1.32 1.78 1.02 -1.26 -3.72 120.64 118.39 2dls n GLU 49 Ca -0.03 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2dls n GLU 49 Cb 0.65 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 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 0.81 1.01 3.34 0.62 0.00 -1.23 -5.03 105.19 104.72 2dls n GLY 50 Ca 0.11 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 2dls n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dls s ASP 51 N -2.59 3.16 0.21 1.61 -1.08 -1.24 -4.85 116.67 111.89 2dls s ASP 51 Ca 0.00 -0.59 0.08 0.00 -0.52 0.00 0.00 52.55 51.51 2dls s ASP 51 Cb 0.00 -0.29 -0.04 0.00 -1.46 0.00 0.00 42.92 41.13 2dls s ASP 51 CO 0.00 0.26 0.04 -0.60 0.52 0.00 0.00 175.17 175.39 2dls s ARG 52 N -1.24 2.52 -0.11 4.34 3.52 -1.26 -1.80 118.95 124.91 2dls s ARG 52 Ca 0.12 -1.14 0.02 0.00 -0.13 0.00 0.00 55.73 54.59 2dls s ARG 52 Cb -0.10 -2.38 0.01 0.00 -1.56 0.00 0.00 34.95 30.93 2dls s ARG 52 CO 0.02 0.43 -0.15 0.42 -0.81 0.00 0.00 175.30 175.21 2dls s ILE 53 N -1.93 1.50 -0.24 4.11 1.01 -1.23 -3.94 121.20 120.48 2dls s ILE 53 Ca 0.30 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 2dls s ILE 53 Cb -0.08 -1.37 -0.16 0.00 0.01 0.00 0.00 42.46 40.85 2dls s ILE 53 CO 0.20 0.44 -0.14 -0.38 0.00 0.00 0.00 174.94 175.07 2dls n ILE 54 N 4.16 1.55 -4.29 2.92 5.41 -0.93 -4.77 119.36 123.39 2dls n ILE 54 Ca -0.19 -0.38 -0.22 0.00 1.00 0.00 0.00 62.75 62.96 2dls n ILE 54 Cb 0.51 -1.80 -0.13 0.00 -0.71 0.00 0.00 39.64 37.51 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 -2.49 1.04 -0.09 0.38 2.47 -1.26 -3.43 119.74 116.37 2dls s LYS 55 Ca -0.34 -1.04 -0.02 0.00 -1.56 0.00 0.00 55.97 53.01 2dls s LYS 55 Cb 0.11 -1.19 0.04 0.00 -1.46 0.00 0.00 37.83 35.32 2dls s LYS 55 CO 0.56 0.28 0.03 0.08 0.16 0.00 0.00 175.35 176.46 2dls s VAL 56 N -1.13 0.22 -1.61 4.02 1.01 -0.89 -1.56 120.40 120.46 2dls s VAL 56 Ca 0.04 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 2dls s VAL 56 Cb -0.10 -0.49 0.11 0.00 0.00 0.00 0.00 36.38 35.91 2dls s VAL 56 CO 0.03 0.13 0.77 0.59 0.00 0.00 0.00 175.10 176.63 2dls n ASN 57 N 5.19 -3.15 -1.09 3.32 4.13 -0.37 0.54 115.26 123.84 2dls n ASN 57 Ca -0.06 -0.95 -0.11 0.00 1.68 0.00 0.00 54.58 55.13 2dls n ASN 57 Cb 0.50 -3.09 -0.03 0.00 -1.54 0.00 0.00 39.78 35.61 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 -1.57 0.60 3.03 7.41 0.00 -1.26 -5.00 105.19 108.40 2dls n GLY 58 Ca -0.00 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.50 2.00 -0.26 2.61 2.01 0.19 -5.08 115.64 114.61 2dls s THR 59 Ca 0.00 -1.57 -0.28 0.00 0.31 0.00 0.00 61.69 60.15 2dls s THR 59 Cb 0.00 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2dls s THR 59 CO 0.00 -0.09 2.04 -0.32 -0.69 0.00 0.00 174.62 175.56 2dls s MET 60 N 1.17 3.23 -0.17 4.92 1.75 -1.26 -2.10 119.30 126.84 2dls s MET 60 Ca -0.07 1.78 0.17 0.00 -1.25 0.00 0.00 55.69 56.31 2dls s MET 60 Cb -0.20 -4.30 0.39 0.00 2.84 0.00 0.00 34.83 33.57 2dls s MET 60 CO -0.06 -1.99 1.26 1.33 -0.65 0.00 0.00 175.02 174.91 2dls n VAL 61 N 7.60 2.09 0.15 10.11 0.24 -1.22 -4.70 118.33 132.59 2dls n VAL 61 Ca 0.27 -2.33 0.18 0.00 -2.04 0.00 0.00 64.34 60.41 2dls n VAL 61 Cb 0.46 -0.25 0.78 0.00 -1.47 0.00 0.00 33.84 33.35 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 0.68 0.53 0.00 3.34 1.35 -1.87 -3.21 112.91 113.72 2dls h THR 62 Ca 0.02 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.68 2dls h THR 62 Cb 1.17 0.79 -0.03 0.00 -1.73 0.00 0.00 68.15 68.35 2dls h THR 62 CO 0.09 0.00 -1.59 -3.20 -0.25 0.00 0.00 175.52 170.58 2dls n ASN 63 N -3.93 1.02 -3.54 5.36 5.15 -1.26 -4.85 115.26 113.20 2dls n ASN 63 Ca 0.04 0.17 -0.32 0.00 -0.60 0.00 0.00 54.58 53.87 2dls n ASN 63 Cb 0.42 -0.41 0.02 0.00 -0.53 0.00 0.00 39.78 39.28 2dls n ASN 63 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2dls n SER 64 N -3.65 -4.02 -4.88 1.20 7.64 -1.21 -4.64 113.62 104.06 2dls n SER 64 Ca -0.24 0.39 -0.30 0.00 1.01 0.00 0.00 58.87 59.73 2dls n SER 64 Cb 0.63 -0.69 0.01 0.00 -1.01 0.00 0.00 64.21 63.15 2dls n SER 64 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dls s SER 65 N -0.86 6.15 0.06 6.43 0.15 -1.26 -4.65 113.70 119.73 2dls s SER 65 Ca 0.42 1.25 -0.31 0.00 0.70 0.00 0.00 55.95 58.01 2dls s SER 65 Cb -0.31 -2.34 -0.16 0.00 -1.71 0.00 0.00 66.02 61.50 2dls s SER 65 CO 0.63 -0.84 1.47 -0.74 1.20 0.00 0.00 173.24 174.96 2dls h HIS 66 N -0.21 -1.12 -1.19 3.44 2.76 -1.67 -2.24 115.15 114.93 2dls h HIS 66 Ca -0.45 -0.01 0.42 0.00 -2.20 0.00 0.00 60.37 58.14 2dls h HIS 66 Cb 1.20 0.40 -0.13 0.00 1.55 0.00 0.00 27.41 30.43 2dls h HIS 66 CO 0.62 -0.62 0.75 -0.11 -1.30 0.00 0.00 177.93 177.27 2dls n LEU 67 N -5.04 0.21 0.21 0.26 7.94 -1.26 -0.25 117.00 119.07 2dls n LEU 67 Ca -0.12 1.30 -0.09 0.00 -1.11 0.00 0.00 56.01 55.99 2dls n LEU 67 Cb 0.42 -0.64 -0.04 0.00 0.53 0.00 0.00 43.42 43.69 2dls n LEU 67 CO 0.29 -1.42 0.26 -0.33 -1.11 0.00 0.00 177.39 175.08 2dls h GLU 68 N 0.00 -0.57 -1.74 1.96 4.39 -1.82 -3.18 114.58 113.62 2dls h GLU 68 Ca 0.79 0.04 0.53 0.00 0.34 0.00 0.00 59.36 61.06 2dls h GLU 68 Cb 2.48 0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 31.16 2dls h GLU 68 CO -0.47 -0.38 1.21 0.28 -1.16 0.00 0.00 179.01 178.49 2dls h VAL 69 N -1.05 0.02 -0.51 3.13 2.07 -0.06 0.17 116.25 120.02 2dls h VAL 69 Ca -0.06 -0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.55 2dls h VAL 69 Cb 0.46 0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.14 2dls h VAL 69 CO 0.10 0.00 -0.31 0.58 0.02 0.00 0.00 177.57 177.96 2dls h VAL 70 N 0.01 0.22 -0.96 2.57 2.07 -1.38 -0.13 116.25 118.65 2dls h VAL 70 Ca 0.91 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.69 2dls h VAL 70 Cb 3.38 0.22 -0.18 0.00 -1.52 0.00 0.00 31.29 33.20 2dls h VAL 70 CO -0.18 0.00 0.01 2.29 0.02 0.00 0.00 177.57 179.71 2dls n LYS 71 N -5.43 -0.08 0.26 1.57 2.85 0.59 -0.53 118.16 117.40 2dls n LYS 71 Ca 0.03 1.44 -0.14 0.00 -1.05 0.00 0.00 58.31 58.58 2dls n LYS 71 Cb 0.34 -2.28 -0.08 0.00 -0.65 0.00 0.00 35.03 32.37 2dls n LYS 71 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2dls h LEU 72 N 0.00 -0.58 -0.78 -5.58 3.38 -1.19 -3.22 115.31 107.34 2dls h LEU 72 Ca 0.57 -0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.63 2dls h LEU 72 Cb 1.17 0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.93 2dls h LEU 72 CO -0.90 -0.22 -0.25 0.40 0.09 0.00 0.00 178.44 177.55 2dls h ILE 73 N -0.97 0.17 0.00 1.22 2.04 -0.32 -1.89 117.51 117.76 2dls h ILE 73 Ca -0.07 0.00 -0.64 0.00 1.00 0.00 0.00 64.86 65.15 2dls h ILE 73 Cb 0.61 0.17 0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2dls h ILE 73 CO 0.11 0.00 3.67 2.29 0.00 0.00 0.00 178.15 184.22 2dls n LYS 74 N -5.50 3.45 -3.82 2.37 2.85 -0.15 -4.75 118.16 112.62 2dls n LYS 74 Ca 0.10 -2.15 -0.12 0.00 -1.05 0.00 0.00 58.31 55.09 2dls n LYS 74 Cb 0.40 -2.80 -0.11 0.00 -0.65 0.00 0.00 35.03 31.87 2dls n LYS 74 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2dls s SER 75 N 2.40 -0.15 0.94 -5.58 0.15 -0.71 -4.94 113.70 105.82 2dls s SER 75 Ca 0.65 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2dls s SER 75 Cb 0.17 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2dls s SER 75 CO -0.06 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2dls n GLY 76 N 2.40 1.17 0.09 9.45 0.00 -1.26 -4.20 105.19 112.83 2dls n GLY 76 Ca -0.16 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 2dls n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dls n ALA 77 N 5.44 1.57 -2.28 4.61 0.00 -1.26 -4.99 120.51 123.60 2dls n ALA 77 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 53.44 52.30 2dls n ALA 77 Cb 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 2dls n ALA 77 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2dls s TYR 78 N -2.41 0.96 -0.10 0.00 -0.85 -1.26 -0.79 117.35 112.90 2dls s TYR 78 Ca -0.16 -0.82 -0.01 0.00 -0.52 0.00 0.00 57.07 55.56 2dls s TYR 78 Cb 0.06 -0.54 0.03 0.00 0.38 0.00 0.00 41.96 41.89 2dls s TYR 78 CO 0.60 -0.08 -0.06 0.54 -1.52 0.00 0.00 175.55 175.03 2dls s VAL 79 N -3.23 0.87 0.07 -3.49 0.11 -0.81 -4.92 120.40 109.00 2dls s VAL 79 Ca 0.10 -0.19 -0.30 0.00 -2.93 0.00 0.00 61.98 58.66 2dls s VAL 79 Cb 0.02 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 2dls s VAL 79 CO -0.03 0.34 1.01 0.00 -3.33 0.00 0.00 175.10 173.09 2dls s ALA 80 N 1.75 3.24 -0.02 1.54 0.00 -1.26 -3.12 121.76 123.89 2dls s ALA 80 Ca 0.05 0.62 0.05 0.00 0.00 0.00 0.00 51.96 52.67 2dls s ALA 80 Cb -0.13 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 2dls s ALA 80 CO -0.07 -0.17 -0.17 -0.51 0.00 0.00 0.00 175.76 174.83 2dls s LEU 81 N 0.48 1.99 -0.70 0.00 1.43 0.03 -1.23 118.68 120.68 2dls s LEU 81 Ca 0.51 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 2dls s LEU 81 Cb -0.24 -0.93 0.16 0.00 0.03 0.00 0.00 46.19 45.21 2dls s LEU 81 CO 0.30 0.19 0.70 -0.89 0.23 0.00 0.00 176.35 176.88 2dls s THR 82 N -0.25 5.24 0.20 5.49 2.01 -0.60 -2.59 115.64 125.15 2dls s THR 82 Ca 0.03 -1.78 -0.18 0.00 0.31 0.00 0.00 61.69 60.06 2dls s THR 82 Cb -0.09 -4.46 -0.08 0.00 0.01 0.00 0.00 72.50 67.89 2dls s THR 82 CO 0.00 -1.04 0.68 -0.76 -0.69 0.00 0.00 174.62 172.81 2dls s LEU 83 N 1.37 4.35 -0.02 4.42 1.43 -1.15 -2.20 118.68 126.88 2dls s LEU 83 Ca 0.13 1.34 0.03 0.00 -1.03 0.00 0.00 54.13 54.59 2dls s LEU 83 Cb -0.19 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2dls s LEU 83 CO -0.02 0.06 -0.09 -0.22 0.23 0.00 0.00 176.35 176.31 2dls s LEU 84 N -1.92 1.83 -0.50 1.79 2.96 -1.25 -0.46 118.68 121.13 2dls s LEU 84 Ca 0.41 -0.18 -0.40 0.00 -0.22 0.00 0.00 54.13 53.74 2dls s LEU 84 Cb -0.16 -0.53 -0.17 0.00 0.50 0.00 0.00 46.19 45.83 2dls s LEU 84 CO 0.21 0.07 2.22 0.61 -1.32 0.00 0.00 176.35 178.14 2dls n GLY 85 N 3.20 0.02 3.98 7.98 0.00 -1.23 -4.64 105.19 114.51 2dls n GLY 85 Ca -0.17 1.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.70 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 6.87 5.57 -0.03 1.61 1.04 -1.26 -4.87 113.70 122.63 2dls s SER 86 Ca 1.18 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 2dls s SER 86 Cb -1.25 -1.06 0.02 0.00 0.10 0.00 0.00 66.02 63.84 2dls s SER 86 CO 0.58 -0.88 0.05 -0.94 0.98 0.00 0.00 173.24 173.03 2dls s SER 87 N -4.33 -0.01 -0.03 7.02 1.04 -1.26 -5.06 113.70 111.08 2dls s SER 87 Ca 0.53 0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.82 2dls s SER 87 Cb -0.10 0.03 -0.18 0.00 0.10 0.00 0.00 66.02 65.87 2dls s SER 87 CO 0.37 -0.09 1.13 0.28 0.98 0.00 0.00 173.24 175.90 2dls h SER 88 N 6.80 -0.13 -4.92 7.02 0.02 -2.00 -3.47 113.55 116.88 2dls h SER 88 Ca -0.37 -0.39 -0.11 0.00 -0.84 0.00 0.00 61.79 60.08 2dls h SER 88 Cb 1.16 0.03 -0.20 0.00 0.14 0.00 0.00 62.40 63.53 2dls h SER 88 CO 0.47 0.36 -0.25 -0.83 -1.14 0.00 0.00 176.83 175.45 2dls s GLY 89 N -3.13 -0.19 -0.00 -3.77 0.00 -1.26 -5.14 107.32 93.83 2dls s GLY 89 Ca -0.15 0.44 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 2dls s GLY 89 CO 0.58 0.22 1.45 2.56 0.00 0.00 0.00 173.10 177.91 2dls s PRO 90 N -1.22 4.26 -0.08 2.90 0.04 -1.26 -4.98 135.00 134.67 2dls s PRO 90 Ca -0.13 2.02 -0.32 0.00 0.04 0.00 0.00 61.00 62.62 2dls s PRO 90 Cb -0.05 -3.62 0.12 0.00 0.04 0.00 0.00 34.50 31.00 2dls s PRO 90 CO 0.04 -0.62 1.12 -1.54 0.04 0.00 0.00 177.00 176.04 2dls s SER 91 N 2.06 -0.18 0.55 6.66 1.04 -1.26 -5.15 113.70 117.42 2dls s SER 91 Ca 0.65 -0.07 -0.18 0.00 0.48 0.00 0.00 55.95 56.84 2dls s SER 91 Cb -0.32 0.24 -0.10 0.00 0.10 0.00 0.00 66.02 65.94 2dls s SER 91 CO 0.27 -0.41 0.44 -0.24 0.98 0.00 0.00 173.24 174.28 2dls n SER 92 N -0.24 -1.38 0.00 7.02 2.88 -1.26 -5.22 113.62 115.42 2dls n SER 92 Ca -0.04 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 2dls n SER 92 Cb 0.60 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2dls n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42