#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 5.16 0.00 1.61 0.01 -1.26 -5.05 113.70 114.17 2dls s SER 2 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2dls s SER 2 Cb 0.00 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.52 2dls s SER 2 CO 0.00 -1.23 0.00 -1.20 0.41 0.00 0.00 173.24 171.22 2dls n SER 3 N -2.39 2.34 0.00 2.44 7.64 -1.26 -5.16 113.62 117.23 2dls n SER 3 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2dls n SER 3 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2dls n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dls n GLY 4 N 3.24 0.98 2.83 0.23 0.00 -1.26 -5.11 105.19 106.10 2dls n GLY 4 Ca 0.00 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 2dls n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dls s SER 5 N -4.00 0.02 0.12 1.61 0.01 -1.26 -5.16 113.70 105.04 2dls s SER 5 Ca 0.00 0.05 0.09 0.00 1.31 0.00 0.00 55.95 57.40 2dls s SER 5 Cb 0.00 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2dls s SER 5 CO 0.00 -0.08 -0.21 -0.94 0.41 0.00 0.00 173.24 172.42 2dls s SER 6 N 0.62 2.67 0.00 2.44 1.04 -1.26 -5.12 113.70 114.09 2dls s SER 6 Ca -0.05 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2dls s SER 6 Cb -0.07 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2dls s SER 6 CO -0.02 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2dls n GLY 7 N 0.91 4.50 2.92 7.32 0.00 -1.26 -4.80 105.19 114.79 2dls n GLY 7 Ca -0.18 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 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 0.34 0.24 1.61 0.11 -1.26 -5.09 120.40 114.36 2dls s VAL 8 Ca 0.00 -0.15 0.06 0.00 -2.93 0.00 0.00 61.98 58.96 2dls s VAL 8 Cb 0.00 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 2dls s VAL 8 CO 0.00 0.11 0.31 -1.10 -3.33 0.00 0.00 175.10 171.10 2dls s GLN 9 N 0.10 3.29 -0.03 1.54 -0.21 -1.26 -3.52 119.66 119.57 2dls s GLN 9 Ca -0.01 -0.85 0.03 0.00 0.02 0.00 0.00 55.36 54.56 2dls s GLN 9 Cb -0.04 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 2dls s GLN 9 CO -0.00 0.42 -0.11 0.50 -2.12 0.00 0.00 175.29 173.97 2dls s ARG 10 N -3.94 2.52 -0.19 2.91 6.06 0.11 -4.97 118.95 121.46 2dls s ARG 10 Ca 0.34 -0.70 -0.08 0.00 -2.50 0.00 0.00 55.73 52.79 2dls s ARG 10 Cb -0.09 -2.44 -0.04 0.00 0.06 0.00 0.00 34.95 32.45 2dls s ARG 10 CO 0.28 0.62 0.07 0.00 -2.50 0.00 0.00 175.30 173.77 2dls s VAL 12 N 0.38 0.24 -0.03 0.00 0.11 -1.14 -5.03 120.40 114.93 2dls s VAL 12 Ca 0.04 -0.89 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2dls s VAL 12 Cb -0.12 -0.36 0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2dls s VAL 12 CO -0.00 -0.42 0.05 -0.63 -3.33 0.00 0.00 175.10 170.77 2dls s ILE 13 N -1.32 -0.10 -0.12 7.04 1.01 -1.26 -1.13 121.20 125.33 2dls s ILE 13 Ca -0.13 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.84 2dls s ILE 13 Cb -0.09 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 2dls s ILE 13 CO -0.00 0.15 0.06 -0.63 0.00 0.00 0.00 174.94 174.52 2dls s ILE 14 N 1.84 4.85 -0.07 2.92 1.01 -1.22 -4.85 121.20 125.67 2dls s ILE 14 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.66 2dls s ILE 14 Cb -0.12 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 2dls s ILE 14 CO -0.03 0.58 -0.18 0.00 0.00 0.00 0.00 174.94 175.31 2dls s GLN 15 N -0.68 2.74 0.33 2.79 -2.07 -1.26 -2.67 119.66 118.82 2dls s GLN 15 Ca 0.12 -0.78 -0.28 0.00 -1.82 0.00 0.00 55.36 52.60 2dls s GLN 15 Cb -0.12 -2.35 -0.12 0.00 -1.09 0.00 0.00 33.01 29.33 2dls s GLN 15 CO 0.02 0.43 1.31 0.36 -1.32 0.00 0.00 175.29 176.09 2dls n LYS 16 N 2.86 2.13 -0.05 9.60 2.85 -0.81 -4.93 118.16 129.81 2dls n LYS 16 Ca -0.17 0.75 -0.10 0.00 -1.05 0.00 0.00 58.31 57.74 2dls n LYS 16 Cb 0.52 -2.34 -0.03 0.00 -0.65 0.00 0.00 35.03 32.53 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 0.96 1.39 0.03 -5.58 -0.08 -1.26 -4.96 116.55 107.06 2dls n ASP 17 Ca 0.06 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 2dls n ASP 17 Cb 0.36 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.29 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 -3.91 0.00 0.09 -0.67 -0.06 -1.26 -4.92 117.38 106.65 2dls n GLN 18 Ca -0.17 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.63 2dls n GLN 18 Cb 0.46 -0.03 -0.12 0.00 -4.06 0.00 0.00 30.24 26.49 2dls n GLN 18 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2dls h HIS 19 N 0.00 0.89 0.00 3.69 3.86 -2.01 -3.49 115.15 118.09 2dls h HIS 19 Ca 0.00 -0.57 0.00 0.00 -1.16 0.00 0.00 60.37 58.64 2dls h HIS 19 Cb 0.00 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.40 2dls h HIS 19 CO 0.00 1.41 0.00 0.41 0.86 0.00 0.00 177.93 180.61 2dls n GLY 20 N 1.35 1.37 3.20 2.45 0.00 -1.26 -5.11 105.19 107.19 2dls n GLY 20 Ca -0.12 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.04 -0.31 1.61 0.08 -1.26 -3.85 117.98 114.21 2dls s PHE 21 Ca 0.00 -0.06 0.12 0.00 0.12 0.00 0.00 56.93 57.12 2dls s PHE 21 Cb 0.00 0.02 0.47 0.00 -0.57 0.00 0.00 43.02 42.94 2dls s PHE 21 CO 0.00 -0.41 1.13 0.41 -0.10 0.00 0.00 175.22 176.25 2dls n GLY 22 N 0.96 4.51 2.90 4.36 0.00 -1.26 -4.91 105.19 111.75 2dls n GLY 22 Ca -0.20 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.58 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 0.29 -0.00 1.61 -0.71 -1.26 -0.18 117.98 114.13 2dls s PHE 23 Ca 0.41 -0.04 0.07 0.00 -1.04 0.00 0.00 56.93 56.33 2dls s PHE 23 Cb 0.39 -0.22 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2dls s PHE 23 CO -0.02 -0.03 -0.23 0.95 -1.34 0.00 0.00 175.22 174.55 2dls s THR 24 N 0.13 1.79 0.45 -4.49 -4.23 -0.86 -5.03 115.64 103.41 2dls s THR 24 Ca -0.01 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 2dls s THR 24 Cb -0.04 -1.50 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 2dls s THR 24 CO -0.00 0.46 0.06 0.68 -0.54 0.00 0.00 174.62 175.27 2dls s VAL 25 N -0.58 0.99 -0.22 2.29 -7.23 -1.26 -0.07 120.40 114.31 2dls s VAL 25 Ca 0.09 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.95 2dls s VAL 25 Cb -0.09 -2.33 0.16 0.00 0.56 0.00 0.00 36.38 34.68 2dls s VAL 25 CO -0.00 0.00 1.20 -0.55 -0.31 0.00 0.00 175.10 175.43 2dls s SER 26 N -3.73 -0.18 0.00 4.85 0.15 -1.15 -4.79 113.70 108.85 2dls s SER 26 Ca 0.17 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2dls s SER 26 Cb 0.03 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2dls s SER 26 CO 0.10 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2dls n GLY 27 N 0.44 4.32 0.00 9.45 0.00 -1.25 -3.06 105.19 115.09 2dls n GLY 27 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.04 1.61 -0.08 -1.26 -3.65 116.55 113.12 2dls n ASP 28 Ca 0.00 0.28 -0.08 0.00 -1.51 0.00 0.00 54.79 53.47 2dls n ASP 28 Cb 0.00 -0.26 -0.02 0.00 2.34 0.00 0.00 41.12 43.18 2dls n ASP 28 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2dls h ARG 29 N 0.00 0.07 -5.72 -0.67 1.12 -1.89 -3.31 114.38 103.98 2dls h ARG 29 Ca 0.00 -0.00 -0.59 0.00 -1.11 0.00 0.00 59.98 58.27 2dls h ARG 29 Cb 0.00 -0.02 -0.13 0.00 -0.01 0.00 0.00 29.97 29.81 2dls h ARG 29 CO 0.00 0.05 -0.65 0.42 -3.11 0.00 0.00 179.97 176.68 2dls s ILE 30 N -6.19 1.98 -0.16 1.20 1.01 -1.26 -2.36 121.20 115.42 2dls s ILE 30 Ca -0.13 -2.10 -0.01 0.00 0.00 0.00 0.00 60.65 58.41 2dls s ILE 30 Cb 0.10 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.85 2dls s ILE 30 CO 0.69 -0.13 -0.04 -0.69 0.00 0.00 0.00 174.94 174.77 2dls s VAL 31 N -2.76 0.99 0.19 2.92 1.01 -1.26 -3.89 120.40 117.60 2dls s VAL 31 Ca 0.33 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 61.88 2dls s VAL 31 Cb 0.06 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2dls s VAL 31 CO 0.16 0.12 -0.23 -0.76 0.00 0.00 0.00 175.10 174.39 2dls s LEU 32 N 1.69 2.44 -0.40 3.92 1.43 -1.17 -2.45 118.68 124.14 2dls s LEU 32 Ca 0.01 -0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 51.96 2dls s LEU 32 Cb -0.15 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 2dls s LEU 32 CO -0.08 0.10 1.78 -0.69 0.23 0.00 0.00 176.35 177.69 2dls s VAL 33 N -1.75 3.49 0.01 -1.59 1.01 -1.05 -2.96 120.40 117.56 2dls s VAL 33 Ca 0.20 0.46 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 2dls s VAL 33 Cb -0.08 -3.75 -0.17 0.00 0.00 0.00 0.00 36.38 32.38 2dls s VAL 33 CO 0.10 -0.54 1.28 -0.61 0.00 0.00 0.00 175.10 175.32 2dls h GLN 34 N 13.18 -0.31 -3.21 2.72 4.15 -0.79 -3.25 115.11 127.60 2dls h GLN 34 Ca -0.31 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.06 2dls h GLN 34 Cb 1.16 0.07 -0.15 0.00 0.21 0.00 0.00 27.48 28.77 2dls h GLN 34 CO 1.08 0.01 -0.10 0.45 -1.93 0.00 0.00 178.83 178.34 2dls s SER 35 N -5.18 -0.25 -0.10 -0.69 0.15 -1.13 -4.88 113.70 101.62 2dls s SER 35 Ca -0.14 -0.16 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 2dls s SER 35 Cb 0.02 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2dls s SER 35 CO 0.57 -0.75 -0.07 -0.69 1.20 0.00 0.00 173.24 173.50 2dls s VAL 36 N -3.11 0.92 0.33 4.45 1.01 -1.26 -2.02 120.40 120.71 2dls s VAL 36 Ca -0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 2dls s VAL 36 Cb 0.01 -0.94 -0.12 0.00 0.00 0.00 0.00 36.38 35.32 2dls s VAL 36 CO -0.07 0.34 1.35 -1.14 0.00 0.00 0.00 175.10 175.58 2dls n ARG 37 N 4.78 2.22 -2.04 2.72 0.63 0.75 -4.86 116.66 120.86 2dls n ARG 37 Ca -0.14 0.78 -0.38 0.00 -0.92 0.00 0.00 57.85 57.20 2dls n ARG 37 Cb 0.50 -2.40 -0.03 0.00 0.45 0.00 0.00 32.46 30.98 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 -1.60 2.62 0.00 -0.14 0.04 -1.26 -2.71 135.00 131.95 2dls s PRO 38 Ca 0.58 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2dls s PRO 38 Cb -0.56 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 29.54 2dls s PRO 38 CO 0.60 -2.78 0.00 0.41 0.04 0.00 0.00 177.00 175.26 2dls n GLY 39 N 5.78 0.78 0.00 0.56 0.00 -1.26 -5.06 105.19 105.99 2dls n GLY 39 Ca 0.22 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.79 1.05 1.22 -0.02 0.00 -1.10 -5.01 105.19 100.54 2dls n GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.00 -0.03 4.61 0.00 -1.26 -4.68 120.51 119.15 2dls n ALA 41 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2dls n ALA 41 Cb 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 0.04 -0.56 0.00 0.00 -1.92 -2.25 119.26 114.56 2dls h ALA 42 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2dls h ALA 42 Cb 0.73 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 2dls h ALA 42 CO 0.00 -0.54 0.03 1.98 0.00 0.00 0.00 179.25 180.72 2dls h MET 43 N -0.10 0.14 -0.90 0.00 -1.53 -1.85 0.09 114.93 110.78 2dls h MET 43 Ca 0.11 -0.01 0.19 0.00 -3.44 0.00 0.00 59.70 56.55 2dls h MET 43 Cb 0.27 -0.03 -0.11 0.00 -0.55 0.00 0.00 31.60 31.17 2dls h MET 43 CO -0.26 0.09 0.46 0.87 0.14 0.00 0.00 176.91 178.21 2dls h LYS 44 N 0.15 0.54 -0.02 0.39 1.79 -1.68 0.25 116.57 117.98 2dls h LYS 44 Ca 0.29 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.60 2dls h LYS 44 Cb 0.45 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 2dls h LYS 44 CO -0.45 0.36 -0.57 0.00 -1.08 0.00 0.00 179.45 177.71 2dls h ALA 45 N 1.64 1.01 0.00 3.86 0.00 -0.81 -3.47 119.26 121.49 2dls h ALA 45 Ca 0.53 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dls h ALA 45 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2dls h ALA 45 CO -0.44 0.71 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2dls n GLY 46 N 0.12 0.85 3.27 0.00 0.00 0.89 -4.92 105.19 105.39 2dls n GLY 46 Ca -0.02 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.25 2.63 0.11 1.61 1.01 -1.09 -4.99 120.40 119.43 2dls s VAL 47 Ca 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2dls s VAL 47 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2dls s VAL 47 CO 0.00 0.52 -0.12 -1.59 0.00 0.00 0.00 175.10 173.91 2dls s LYS 48 N 0.75 0.91 0.18 2.72 0.00 -1.26 -4.27 119.74 118.77 2dls s LYS 48 Ca -0.07 -1.19 -0.33 0.00 0.00 0.00 0.00 55.97 54.39 2dls s LYS 48 Cb -0.15 -0.67 -0.15 0.00 0.00 0.00 0.00 37.83 36.85 2dls s LYS 48 CO 0.01 0.12 1.25 0.39 0.00 0.00 0.00 175.35 177.11 2dls n GLU 49 N 0.55 1.39 0.00 1.78 1.02 -1.26 -2.35 120.64 121.78 2dls n GLU 49 Ca -0.16 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 2dls n GLU 49 Cb 0.57 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 2.15 1.55 3.69 0.62 0.00 -1.23 -5.00 105.19 106.97 2dls n GLY 50 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2dls n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dls n ASP 51 N 0.00 2.72 -4.17 1.61 8.00 -0.99 -4.78 116.55 118.93 2dls n ASP 51 Ca 0.00 1.18 -0.34 0.00 0.71 0.00 0.00 54.79 56.34 2dls n ASP 51 Cb 0.00 -1.46 -0.14 0.00 -0.02 0.00 0.00 41.12 39.50 2dls n ASP 51 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2dls s ARG 52 N -1.37 2.54 0.24 -1.24 3.52 -1.26 -2.52 118.95 118.85 2dls s ARG 52 Ca 0.60 -1.18 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 2dls s ARG 52 Cb -0.60 -3.08 -0.09 0.00 -1.56 0.00 0.00 34.95 29.62 2dls s ARG 52 CO 0.58 -0.54 1.16 0.42 -0.81 0.00 0.00 175.30 176.11 2dls s ILE 53 N 1.26 3.48 -0.11 4.11 1.01 -1.02 -2.64 121.20 127.29 2dls s ILE 53 Ca -0.04 1.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.93 2dls s ILE 53 Cb -0.19 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2dls s ILE 53 CO -0.03 0.27 -0.13 -0.38 0.00 0.00 0.00 174.94 174.68 2dls n ILE 54 N 1.82 0.59 -4.32 2.92 2.08 0.10 -4.64 119.36 117.90 2dls n ILE 54 Ca 0.02 -0.17 -0.17 0.00 0.56 0.00 0.00 62.75 62.99 2dls n ILE 54 Cb 0.45 -1.43 -0.10 0.00 -0.75 0.00 0.00 39.64 37.80 2dls n ILE 54 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2dls s LYS 55 N -2.20 1.41 -0.14 0.38 1.02 -1.19 -3.38 119.74 115.64 2dls s LYS 55 Ca -0.15 -1.76 -0.04 0.00 0.02 0.00 0.00 55.97 54.04 2dls s LYS 55 Cb 0.05 -0.29 0.06 0.00 -0.52 0.00 0.00 37.83 37.13 2dls s LYS 55 CO 0.20 -0.28 0.16 0.08 -0.92 0.00 0.00 175.35 174.58 2dls s VAL 56 N -3.73 -0.23 -0.60 3.17 1.01 0.26 -1.59 120.40 118.69 2dls s VAL 56 Ca 0.37 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 2dls s VAL 56 Cb 0.08 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 36.00 2dls s VAL 56 CO 0.13 -0.08 0.10 -0.46 0.00 0.00 0.00 175.10 174.79 2dls n ASN 57 N 5.31 -2.26 0.00 3.32 0.23 -1.02 0.12 115.26 120.96 2dls n ASN 57 Ca -0.05 0.18 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 2dls n ASN 57 Cb 0.50 -1.99 0.00 0.00 -2.08 0.00 0.00 39.78 36.21 2dls n ASN 57 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dls n GLY 58 N -0.71 2.95 3.68 4.83 0.00 -1.26 -5.03 105.19 109.64 2dls n GLY 58 Ca -0.04 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.81 3.52 0.16 2.61 2.01 0.32 -4.97 115.64 117.47 2dls s THR 59 Ca 0.00 0.83 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 2dls s THR 59 Cb 0.00 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 2dls s THR 59 CO 0.00 -0.03 1.14 -0.32 -0.69 0.00 0.00 174.62 174.72 2dls s MET 60 N 3.05 4.54 -0.08 4.92 1.75 -1.26 -0.58 119.30 131.64 2dls s MET 60 Ca 0.69 1.76 0.12 0.00 -1.25 0.00 0.00 55.69 57.02 2dls s MET 60 Cb -0.34 -3.28 0.19 0.00 2.84 0.00 0.00 34.83 34.25 2dls s MET 60 CO 0.28 -0.02 1.10 1.33 -0.65 0.00 0.00 175.02 177.06 2dls n VAL 61 N 2.65 1.20 -2.11 10.11 0.24 -1.22 -4.94 118.33 124.27 2dls n VAL 61 Ca 0.04 -1.47 -0.42 0.00 -2.04 0.00 0.00 64.34 60.44 2dls n VAL 61 Cb 0.46 0.04 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 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 -1.82 3.73 -0.74 3.34 -4.23 -1.25 -2.45 115.64 112.22 2dls s THR 62 Ca 0.21 0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 61.61 2dls s THR 62 Cb 0.19 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.44 2dls s THR 62 CO 0.01 -0.07 0.19 -3.20 -0.54 0.00 0.00 174.62 171.01 2dls n ASN 63 N 6.87 -3.49 -4.52 3.99 2.85 -0.99 -5.03 115.26 114.95 2dls n ASN 63 Ca 0.16 -0.09 -0.30 0.00 -0.11 0.00 0.00 54.58 54.24 2dls n ASN 63 Cb 0.43 -2.51 -0.11 0.00 1.24 0.00 0.00 39.78 38.83 2dls n ASN 63 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2dls s SER 64 N -2.77 4.11 1.09 1.20 0.15 -1.02 -4.87 113.70 111.58 2dls s SER 64 Ca 0.09 -0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.23 2dls s SER 64 Cb -0.04 -0.74 0.24 0.00 -1.71 0.00 0.00 66.02 63.78 2dls s SER 64 CO 0.11 0.23 1.06 -0.94 1.20 0.00 0.00 173.24 174.90 2dls s SER 65 N -1.76 1.54 0.01 5.45 1.04 -1.24 -4.57 113.70 114.17 2dls s SER 65 Ca 0.17 1.68 -0.13 0.00 0.48 0.00 0.00 55.95 58.15 2dls s SER 65 Cb -0.11 -2.36 -0.07 0.00 0.10 0.00 0.00 66.02 63.58 2dls s SER 65 CO 0.09 -3.88 0.95 -0.74 0.98 0.00 0.00 173.24 170.64 2dls h HIS 66 N -2.40 -0.42 -0.82 5.02 2.76 -1.80 -3.19 115.15 114.29 2dls h HIS 66 Ca -0.57 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 57.67 2dls h HIS 66 Cb 1.32 0.14 -0.10 0.00 1.55 0.00 0.00 27.41 30.32 2dls h HIS 66 CO 0.33 -0.26 -0.48 -0.11 -1.30 0.00 0.00 177.93 176.10 2dls n LEU 67 N -3.53 -0.87 -0.34 0.26 7.94 -1.26 0.68 117.00 119.89 2dls n LEU 67 Ca -0.06 1.46 0.07 0.00 -1.11 0.00 0.00 56.01 56.38 2dls n LEU 67 Cb 0.18 -0.19 0.16 0.00 0.53 0.00 0.00 43.42 44.10 2dls n LEU 67 CO 0.14 -1.19 0.65 -0.62 -1.11 0.00 0.00 177.39 175.25 2dls n GLU 68 N -5.02 -0.08 -0.05 1.96 -0.58 -1.24 0.53 120.64 116.16 2dls n GLU 68 Ca 0.02 1.47 -0.16 0.00 -0.42 0.00 0.00 57.16 58.07 2dls n GLU 68 Cb 0.21 -2.22 -0.06 0.00 -0.57 0.00 0.00 31.44 28.80 2dls n GLU 68 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dls h VAL 69 N 0.00 1.30 -0.90 2.62 2.07 0.26 -3.26 116.25 118.35 2dls h VAL 69 Ca 0.48 -1.80 0.21 0.00 0.82 0.00 0.00 66.70 66.40 2dls h VAL 69 Cb 0.78 1.91 -0.17 0.00 -1.52 0.00 0.00 31.29 32.29 2dls h VAL 69 CO -0.96 0.57 -0.08 0.58 0.02 0.00 0.00 177.57 177.69 2dls h VAL 70 N 0.44 0.13 -0.62 2.57 2.07 0.33 0.50 116.25 121.66 2dls h VAL 70 Ca -0.02 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2dls h VAL 70 Cb 1.20 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2dls h VAL 70 CO 0.12 0.01 0.31 0.11 0.02 0.00 0.00 177.57 178.14 2dls h LYS 71 N 0.03 0.55 -0.31 1.57 1.57 -1.45 0.11 116.57 118.64 2dls h LYS 71 Ca 0.49 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.25 2dls h LYS 71 Cb 0.87 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2dls h LYS 71 CO -0.87 0.36 0.15 -0.07 -0.57 0.00 0.00 179.45 178.46 2dls h LEU 72 N 0.56 0.23 -0.42 2.94 3.38 -0.14 -2.78 115.31 119.08 2dls h LEU 72 Ca 0.29 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.24 2dls h LEU 72 Cb 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2dls h LEU 72 CO -0.22 0.17 0.12 0.40 0.09 0.00 0.00 178.44 179.01 2dls h ILE 73 N 0.32 1.22 -0.32 1.22 2.04 -0.69 -3.30 117.51 117.99 2dls h ILE 73 Ca 0.13 -0.74 -0.71 0.00 1.00 0.00 0.00 64.86 64.53 2dls h ILE 73 Cb 0.04 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 2dls h ILE 73 CO -0.08 0.26 2.85 0.29 0.00 0.00 0.00 178.15 181.47 2dls n LYS 74 N -4.56 3.00 -3.45 2.37 5.02 0.33 -4.71 118.16 116.15 2dls n LYS 74 Ca 0.00 -2.83 -0.13 0.00 -2.02 0.00 0.00 58.31 53.33 2dls n LYS 74 Cb 0.19 -3.27 -0.03 0.00 -0.02 0.00 0.00 35.03 31.90 2dls n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dls s SER 75 N 3.07 -0.58 0.51 4.39 0.15 -1.25 -4.86 113.70 115.14 2dls s SER 75 Ca 0.47 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2dls s SER 75 Cb 0.12 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2dls s SER 75 CO -0.05 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.12 2dls n GLY 76 N -0.10 0.91 0.10 9.45 0.00 -1.26 -4.13 105.19 110.16 2dls n GLY 76 Ca -0.17 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 3.64 1.50 -2.30 4.61 0.00 -1.26 -5.01 120.51 121.68 2dls n ALA 77 Ca 0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 53.44 52.09 2dls n ALA 77 Cb 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.48 0.65 -0.08 0.00 -0.85 -1.26 -1.93 117.35 111.40 2dls s TYR 78 Ca -0.15 -0.89 0.00 0.00 -0.52 0.00 0.00 57.07 55.51 2dls s TYR 78 Cb 0.06 -0.42 0.02 0.00 0.38 0.00 0.00 41.96 42.01 2dls s TYR 78 CO 0.76 -0.24 -0.07 0.54 -1.52 0.00 0.00 175.55 175.02 2dls s VAL 79 N -3.27 0.84 0.10 -3.49 0.11 -1.09 -4.93 120.40 108.67 2dls s VAL 79 Ca 0.04 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.56 2dls s VAL 79 Cb 0.03 -0.85 -0.06 0.00 -1.53 0.00 0.00 36.38 33.97 2dls s VAL 79 CO -0.06 0.31 0.98 0.00 -3.33 0.00 0.00 175.10 173.00 2dls s ALA 80 N 1.30 3.25 -0.18 1.54 0.00 -1.26 -3.46 121.76 122.95 2dls s ALA 80 Ca -0.04 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 2dls s ALA 80 Cb -0.14 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.73 2dls s ALA 80 CO -0.03 -0.07 -0.04 -0.51 0.00 0.00 0.00 175.76 175.11 2dls s LEU 81 N 0.11 1.71 -0.72 0.00 1.43 -0.28 -2.44 118.68 118.48 2dls s LEU 81 Ca 0.48 -0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 52.60 2dls s LEU 81 Cb -0.24 -0.91 0.08 0.00 0.03 0.00 0.00 46.19 45.15 2dls s LEU 81 CO 0.30 -0.21 1.00 -0.89 0.23 0.00 0.00 176.35 176.78 2dls s THR 82 N 1.62 4.43 0.52 5.49 2.01 -0.62 -2.87 115.64 126.22 2dls s THR 82 Ca -0.01 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 2dls s THR 82 Cb -0.16 -4.71 0.01 0.00 0.01 0.00 0.00 72.50 67.65 2dls s THR 82 CO -0.07 -1.47 0.78 -0.76 -0.69 0.00 0.00 174.62 172.41 2dls s LEU 83 N 3.72 3.43 -0.02 4.42 1.43 -0.53 0.01 118.68 131.14 2dls s LEU 83 Ca 0.24 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.85 2dls s LEU 83 Cb -0.14 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 2dls s LEU 83 CO 0.05 -0.90 -0.20 -0.22 0.23 0.00 0.00 176.35 175.31 2dls s LEU 84 N -4.77 2.02 0.00 1.79 0.20 -1.08 0.05 118.68 116.90 2dls s LEU 84 Ca 0.51 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 54.97 2dls s LEU 84 Cb -0.10 -1.03 0.00 0.00 -0.43 0.00 0.00 46.19 44.62 2dls s LEU 84 CO 0.41 0.23 0.00 0.61 -0.29 0.00 0.00 176.35 177.31 2dls n GLY 85 N 2.70 -0.23 3.65 7.98 0.00 -1.23 -4.53 105.19 113.53 2dls n GLY 85 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2dls n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dls s SER 86 N -0.80 6.87 -0.06 1.61 0.15 -1.26 -5.00 113.70 115.21 2dls s SER 86 Ca 0.00 1.56 -0.20 0.00 0.70 0.00 0.00 55.95 58.01 2dls s SER 86 Cb 0.00 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2dls s SER 86 CO 0.00 -0.85 0.46 -0.94 1.20 0.00 0.00 173.24 173.11 2dls s SER 87 N 2.21 -0.40 0.39 5.45 1.04 -1.26 -4.08 113.70 117.05 2dls s SER 87 Ca 0.55 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2dls s SER 87 Cb -0.20 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 2dls s SER 87 CO 0.17 -0.43 0.60 -0.55 0.98 0.00 0.00 173.24 174.01 2dls s SER 88 N -0.92 6.09 0.00 7.02 0.15 -1.26 -4.93 113.70 119.86 2dls s SER 88 Ca -0.10 0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2dls s SER 88 Cb -0.03 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2dls s SER 88 CO 0.05 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.63 2dls n GLY 89 N -1.91 0.76 3.77 9.45 0.00 -1.26 -5.12 105.19 110.87 2dls n GLY 89 Ca -0.02 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.54 2.28 -0.55 1.61 0.04 -1.26 -5.03 135.00 131.55 2dls s PRO 90 Ca 0.00 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.26 2dls s PRO 90 Cb 0.00 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.80 2dls s PRO 90 CO 0.00 -1.63 0.37 -1.12 0.04 0.00 0.00 177.00 174.66 2dls s SER 91 N -3.35 3.65 1.08 6.66 0.01 -1.26 -5.11 113.70 115.38 2dls s SER 91 Ca 0.61 -3.26 -0.12 0.00 1.31 0.00 0.00 55.95 54.49 2dls s SER 91 Cb -0.17 -1.18 0.23 0.00 0.21 0.00 0.00 66.02 65.10 2dls s SER 91 CO 0.55 -0.17 0.99 -0.24 0.41 0.00 0.00 173.24 174.78 2dls n SER 92 N 2.70 -1.10 0.00 2.44 2.88 -1.26 -5.37 113.62 113.90 2dls n SER 92 Ca 0.18 0.05 0.07 0.00 -1.33 0.00 0.00 58.87 57.84 2dls n SER 92 Cb 0.38 -1.32 0.44 0.00 -0.75 0.00 0.00 64.21 62.96 2dls n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42