#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 4.35 -0.29 1.61 0.15 -1.26 -5.06 113.70 113.20 2dls s SER 2 Ca 0.00 1.82 -0.25 0.00 0.70 0.00 0.00 55.95 58.22 2dls s SER 2 Cb 0.00 -2.50 0.15 0.00 -1.71 0.00 0.00 66.02 61.96 2dls s SER 2 CO 0.00 -2.14 1.21 -0.55 1.20 0.00 0.00 173.24 172.97 2dls s SER 3 N -3.36 -0.27 0.21 5.45 0.15 -1.26 -5.02 113.70 109.60 2dls s SER 3 Ca 0.62 0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.80 2dls s SER 3 Cb -0.17 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2dls s SER 3 CO 0.56 -0.09 0.25 0.61 1.20 0.00 0.00 173.24 175.77 2dls n GLY 4 N 1.90 2.84 1.34 9.45 0.00 -1.26 -5.09 105.19 114.37 2dls n GLY 4 Ca -0.11 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2dls n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dls n SER 5 N -1.97 0.26 -4.33 1.61 7.64 -1.26 -5.09 113.62 110.48 2dls n SER 5 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 2dls n SER 5 Cb 0.36 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.55 2dls n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dls n SER 6 N -2.55 -2.41 -0.21 6.43 7.64 -1.26 -4.62 113.62 116.63 2dls n SER 6 Ca 0.00 0.88 0.02 0.00 1.01 0.00 0.00 58.87 60.79 2dls n SER 6 Cb 0.19 -0.91 -0.01 0.00 -1.01 0.00 0.00 64.21 62.47 2dls n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dls n GLY 7 N 2.23 -2.13 2.73 0.23 0.00 -1.26 -4.83 105.19 102.17 2dls n GLY 7 Ca 0.13 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.85 -0.03 0.51 1.61 0.11 -1.23 -5.03 120.40 115.50 2dls s VAL 8 Ca 0.00 0.29 -0.08 0.00 -2.93 0.00 0.00 61.98 59.26 2dls s VAL 8 Cb 0.00 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2dls s VAL 8 CO 0.00 0.14 0.85 0.00 -3.33 0.00 0.00 175.10 172.77 2dls s GLN 9 N 1.58 3.60 0.04 1.54 0.00 -1.26 -3.94 119.66 121.21 2dls s GLN 9 Ca -0.02 0.40 0.06 0.00 -0.00 0.00 0.00 55.36 55.80 2dls s GLN 9 Cb -0.13 -2.29 -0.02 0.00 0.00 0.00 0.00 33.01 30.57 2dls s GLN 9 CO -0.03 -0.28 -0.18 0.50 0.00 0.00 0.00 175.29 175.30 2dls s ARG 10 N -4.72 1.22 -0.17 9.60 6.06 0.39 -4.98 118.95 126.35 2dls s ARG 10 Ca 0.50 -0.84 -0.14 0.00 -2.50 0.00 0.00 55.73 52.75 2dls s ARG 10 Cb -0.10 -1.28 -0.05 0.00 0.06 0.00 0.00 34.95 33.57 2dls s ARG 10 CO 0.45 0.33 0.28 0.00 -2.50 0.00 0.00 175.30 173.86 2dls s VAL 12 N 0.56 0.83 -0.21 0.00 0.11 -0.00 -5.00 120.40 116.68 2dls s VAL 12 Ca 0.16 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.77 2dls s VAL 12 Cb -0.13 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 2dls s VAL 12 CO 0.04 0.25 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.33 2dls s ILE 13 N -0.01 2.94 -0.39 7.04 1.01 -1.26 -0.51 121.20 130.03 2dls s ILE 13 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 2dls s ILE 13 Cb -0.07 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.12 2dls s ILE 13 CO 0.00 0.46 0.23 -0.63 0.00 0.00 0.00 174.94 175.00 2dls s ILE 14 N 1.42 4.71 -0.31 2.92 1.01 -1.00 -4.86 121.20 125.09 2dls s ILE 14 Ca 0.05 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 2dls s ILE 14 Cb -0.14 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2dls s ILE 14 CO -0.06 -0.28 0.26 0.00 0.00 0.00 0.00 174.94 174.86 2dls s GLN 15 N 1.57 3.75 0.23 2.79 -2.07 -1.26 -3.14 119.66 121.54 2dls s GLN 15 Ca 0.03 -0.38 -0.28 0.00 -1.82 0.00 0.00 55.36 52.91 2dls s GLN 15 Cb -0.19 -3.73 -0.16 0.00 -1.09 0.00 0.00 33.01 27.83 2dls s GLN 15 CO 0.07 -0.33 0.59 0.36 -1.32 0.00 0.00 175.29 174.66 2dls n LYS 16 N 5.17 0.27 -0.02 9.60 2.85 -1.23 -4.89 118.16 129.93 2dls n LYS 16 Ca -0.12 0.10 -0.02 0.00 -1.05 0.00 0.00 58.31 57.21 2dls n LYS 16 Cb 0.51 -1.17 -0.02 0.00 -0.65 0.00 0.00 35.03 33.69 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 1.85 3.82 -2.57 -5.58 -0.08 -1.24 -4.76 116.55 107.98 2dls n ASP 17 Ca 0.16 -0.02 -0.31 0.00 -1.51 0.00 0.00 54.79 53.11 2dls n ASP 17 Cb 0.27 0.06 0.02 0.00 2.34 0.00 0.00 41.12 43.81 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 -2.51 3.22 -2.62 -0.67 3.00 -1.26 -4.86 117.38 111.68 2dls n GLN 18 Ca -0.06 -4.16 -0.19 0.00 -0.01 0.00 0.00 57.00 52.58 2dls n GLN 18 Cb 0.57 -2.26 0.01 0.00 0.00 0.00 0.00 30.24 28.56 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 -0.53 -1.28 0.00 1.08 8.25 -1.26 -4.91 115.22 116.57 2dls n HIS 19 Ca 0.44 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 2dls n HIS 19 Cb 0.55 -3.84 0.00 0.00 1.12 0.00 0.00 29.99 27.82 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 -1.22 2.11 3.92 -1.41 0.00 -1.26 -5.12 105.19 102.22 2dls n GLY 20 Ca -0.16 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.00 3.10 -0.25 1.61 0.08 -1.26 -3.65 117.98 115.62 2dls s PHE 21 Ca 0.00 0.57 0.13 0.00 0.12 0.00 0.00 56.93 57.74 2dls s PHE 21 Cb 0.00 -2.96 0.46 0.00 -0.57 0.00 0.00 43.02 39.95 2dls s PHE 21 CO 0.00 -1.10 1.17 0.41 -0.10 0.00 0.00 175.22 175.60 2dls n GLY 22 N -2.75 4.70 2.82 4.36 0.00 -1.26 -4.96 105.19 108.09 2dls n GLY 22 Ca 0.06 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.31 0.24 -0.05 1.61 -0.12 -1.26 -0.23 117.98 114.86 2dls s PHE 23 Ca 0.42 0.02 0.00 0.00 -0.05 0.00 0.00 56.93 57.32 2dls s PHE 23 Cb 0.38 -0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 2dls s PHE 23 CO -0.01 -0.11 -0.01 0.95 -0.05 0.00 0.00 175.22 175.99 2dls s THR 24 N 0.90 4.12 0.42 -4.49 -4.23 -1.02 -4.98 115.64 106.37 2dls s THR 24 Ca -0.09 -0.44 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 2dls s THR 24 Cb -0.12 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 2dls s THR 24 CO -0.02 0.51 0.06 0.68 -0.54 0.00 0.00 174.62 175.31 2dls s VAL 25 N -0.96 1.12 -0.10 2.29 -7.23 -1.26 0.17 120.40 114.44 2dls s VAL 25 Ca 0.16 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 2dls s VAL 25 Cb -0.11 -2.50 0.12 0.00 0.56 0.00 0.00 36.38 34.45 2dls s VAL 25 CO 0.05 0.00 0.97 -0.55 -0.31 0.00 0.00 175.10 175.27 2dls s SER 26 N -3.68 -0.35 0.00 4.85 0.15 -1.08 -4.78 113.70 108.82 2dls s SER 26 Ca 0.23 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2dls s SER 26 Cb 0.05 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2dls s SER 26 CO 0.12 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2dls n GLY 27 N 0.25 4.00 0.00 9.45 0.00 -1.26 -2.75 105.19 114.88 2dls n GLY 27 Ca -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.08 -1.26 -3.48 116.55 113.34 2dls n ASP 28 Ca 0.00 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 2dls n ASP 28 Cb 0.00 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.00 2dls n ASP 28 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2dls n ARG 29 N -1.87 0.00 -3.72 -0.67 0.63 -1.26 -3.94 116.66 105.82 2dls n ARG 29 Ca 0.00 0.47 -0.37 0.00 -0.92 0.00 0.00 57.85 57.02 2dls n ARG 29 Cb 0.00 -1.31 -0.06 0.00 0.45 0.00 0.00 32.46 31.53 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 -2.27 5.34 -0.16 5.15 -0.00 -1.26 -4.42 121.20 123.58 2dls s ILE 30 Ca 0.00 0.43 -0.07 0.00 -0.00 0.00 0.00 60.65 61.01 2dls s ILE 30 Cb 0.00 -3.52 -0.04 0.00 -0.00 0.00 0.00 42.46 38.90 2dls s ILE 30 CO 0.00 0.58 0.08 -0.69 -0.00 0.00 0.00 174.94 174.91 2dls s VAL 31 N -0.83 4.99 0.14 8.37 1.01 -1.26 -4.32 120.40 128.50 2dls s VAL 31 Ca 0.17 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.24 2dls s VAL 31 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2dls s VAL 31 CO 0.06 0.52 -0.13 -0.76 0.00 0.00 0.00 175.10 174.79 2dls s LEU 32 N -0.16 2.45 -0.60 3.92 1.43 -1.11 -0.29 118.68 124.31 2dls s LEU 32 Ca 0.08 -0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 52.03 2dls s LEU 32 Cb -0.12 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.60 2dls s LEU 32 CO 0.01 -0.19 1.29 -0.69 0.23 0.00 0.00 176.35 177.01 2dls s VAL 33 N -2.47 3.88 0.04 -1.59 1.01 -1.08 -2.64 120.40 117.55 2dls s VAL 33 Ca 0.12 0.73 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 2dls s VAL 33 Cb -0.03 -4.65 -0.15 0.00 0.00 0.00 0.00 36.38 31.54 2dls s VAL 33 CO 0.03 -1.37 1.36 -0.61 0.00 0.00 0.00 175.10 174.51 2dls h GLN 34 N 10.22 -0.97 -4.49 2.72 5.75 0.14 -2.50 115.11 125.99 2dls h GLN 34 Ca -0.26 0.07 -0.20 0.00 -0.15 0.00 0.00 58.65 58.10 2dls h GLN 34 Cb 1.07 0.22 -0.15 0.00 1.07 0.00 0.00 27.48 29.69 2dls h GLN 34 CO 1.20 -0.65 -0.65 -1.12 -2.65 0.00 0.00 178.83 174.96 2dls s SER 35 N -3.64 0.47 -0.16 -0.69 0.01 -1.07 -4.78 113.70 103.84 2dls s SER 35 Ca -0.15 -1.20 -0.05 0.00 1.31 0.00 0.00 55.95 55.86 2dls s SER 35 Cb 0.01 0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.57 2dls s SER 35 CO 0.44 -0.70 0.08 -0.69 0.41 0.00 0.00 173.24 172.78 2dls s VAL 36 N -3.98 -0.04 0.09 3.43 1.01 -1.26 -2.44 120.40 117.21 2dls s VAL 36 Ca 0.24 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 2dls s VAL 36 Cb 0.07 -0.58 -0.17 0.00 0.00 0.00 0.00 36.38 35.71 2dls s VAL 36 CO 0.02 -0.24 0.71 -1.14 0.00 0.00 0.00 175.10 174.45 2dls n ARG 37 N 5.26 0.00 0.00 2.72 3.00 0.68 -4.77 116.66 123.55 2dls n ARG 37 Ca -0.07 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.85 2dls n ARG 37 Cb 0.49 -1.12 0.39 0.00 0.00 0.00 0.00 32.46 32.22 2dls n ARG 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2dls n PRO 38 N 1.12 0.26 -2.57 -0.14 -0.04 -1.26 -3.66 135.00 128.71 2dls n PRO 38 Ca 0.17 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.71 2dls n PRO 38 Cb 0.15 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.03 1.19 0.00 0.55 0.00 -1.26 -5.08 105.19 100.56 2dls n GLY 39 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.93 1.41 0.33 -0.02 0.00 -1.24 -5.06 105.19 99.69 2dls n GLY 40 Ca -0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 1.48 -0.34 4.61 0.00 -1.26 -4.21 120.51 117.79 2dls n ALA 41 Ca 0.00 -0.69 0.15 0.00 0.00 0.00 0.00 53.44 52.90 2dls n ALA 41 Cb 0.00 0.13 0.30 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.75 1.22 -0.12 0.00 0.00 -1.91 0.43 119.26 118.13 2dls h ALA 42 Ca -0.17 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2dls h ALA 42 Cb 0.99 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2dls h ALA 42 CO -0.11 -0.59 0.06 1.98 0.00 0.00 0.00 179.25 180.60 2dls h MET 43 N 0.02 0.18 -0.59 0.00 -1.53 -1.81 -2.22 114.93 108.98 2dls h MET 43 Ca 0.61 -0.03 0.17 0.00 -3.44 0.00 0.00 59.70 57.01 2dls h MET 43 Cb 1.27 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 32.27 2dls h MET 43 CO -0.89 0.25 0.45 0.87 0.14 0.00 0.00 176.91 177.73 2dls h LYS 44 N 0.07 0.00 0.00 0.39 1.57 -0.35 0.48 116.57 118.73 2dls h LYS 44 Ca 0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2dls h LYS 44 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2dls h LYS 44 CO -0.00 0.00 -0.38 0.00 -0.57 0.00 0.00 179.45 178.50 2dls h ALA 45 N 1.65 0.81 0.00 3.86 0.00 -0.73 -3.48 119.26 121.37 2dls h ALA 45 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dls h ALA 45 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2dls h ALA 45 CO -0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2dls n GLY 46 N 1.17 0.63 3.92 0.00 0.00 0.17 -4.94 105.19 106.14 2dls n GLY 46 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.23 4.78 0.20 1.61 1.01 -0.89 -5.02 120.40 120.86 2dls s VAL 47 Ca 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 2dls s VAL 47 Cb 0.00 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2dls s VAL 47 CO 0.00 -0.31 0.32 -0.54 0.00 0.00 0.00 175.10 174.58 2dls s LYS 48 N -3.96 1.31 0.13 2.72 -0.14 -1.26 -4.72 119.74 113.83 2dls s LYS 48 Ca 0.35 -1.31 -0.28 0.00 -1.36 0.00 0.00 55.97 53.38 2dls s LYS 48 Cb -0.09 0.39 -0.07 0.00 -1.68 0.00 0.00 37.83 36.38 2dls s LYS 48 CO 0.28 -0.50 0.88 -1.21 -0.76 0.00 0.00 175.35 174.04 2dls s GLU 49 N -4.03 4.66 0.00 1.68 8.01 -1.26 -3.88 118.70 123.88 2dls s GLU 49 Ca 0.24 1.31 0.00 0.00 0.01 0.00 0.00 54.97 56.54 2dls s GLU 49 Cb 0.03 -3.33 0.00 0.00 -4.31 0.00 0.00 34.13 26.51 2dls s GLU 49 CO 0.06 0.36 0.00 0.41 0.01 0.00 0.00 175.26 176.10 2dls n GLY 50 N 2.00 0.99 3.51 -1.39 0.00 -0.94 -4.96 105.19 104.40 2dls n GLY 50 Ca -0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.01 6.23 -0.37 1.61 1.11 -1.25 -4.86 116.67 117.12 2dls s ASP 51 Ca 0.00 -0.42 -0.29 0.00 0.18 0.00 0.00 52.55 52.02 2dls s ASP 51 Cb 0.00 -2.24 0.02 0.00 1.07 0.00 0.00 42.92 41.77 2dls s ASP 51 CO 0.00 -0.53 1.08 -0.60 1.18 0.00 0.00 175.17 176.30 2dls s ARG 52 N 2.23 3.94 0.07 8.23 3.52 -1.26 -2.64 118.95 133.05 2dls s ARG 52 Ca 0.14 0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 56.31 2dls s ARG 52 Cb -0.16 -3.79 -0.05 0.00 -1.56 0.00 0.00 34.95 29.38 2dls s ARG 52 CO 0.14 -1.05 1.11 0.42 -0.81 0.00 0.00 175.30 175.10 2dls s ILE 53 N 3.88 4.26 -0.22 4.11 1.01 0.60 -3.12 121.20 131.72 2dls s ILE 53 Ca 0.46 1.69 -0.07 0.00 0.00 0.00 0.00 60.65 62.72 2dls s ILE 53 Cb -0.11 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.17 2dls s ILE 53 CO 0.21 0.17 -0.26 -0.38 0.00 0.00 0.00 174.94 174.68 2dls n ILE 54 N 3.54 1.21 -4.37 2.92 2.08 -0.79 -4.40 119.36 119.55 2dls n ILE 54 Ca 0.06 -0.35 -0.21 0.00 0.56 0.00 0.00 62.75 62.81 2dls n ILE 54 Cb 0.48 -1.63 -0.11 0.00 -0.75 0.00 0.00 39.64 37.63 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 -2.41 1.40 -0.23 0.38 2.20 -1.26 -3.37 119.74 116.45 2dls s LYS 55 Ca -0.30 -1.56 -0.04 0.00 -0.36 0.00 0.00 55.97 53.70 2dls s LYS 55 Cb 0.10 -1.39 0.08 0.00 -1.51 0.00 0.00 37.83 35.12 2dls s LYS 55 CO 0.42 0.26 0.11 0.08 -0.36 0.00 0.00 175.35 175.86 2dls s VAL 56 N -2.46 -0.06 -1.44 4.02 1.01 0.48 -2.50 120.40 119.46 2dls s VAL 56 Ca 0.22 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 2dls s VAL 56 Cb -0.04 -0.79 0.13 0.00 0.00 0.00 0.00 36.38 35.68 2dls s VAL 56 CO 0.09 -0.50 0.58 -0.46 0.00 0.00 0.00 175.10 174.80 2dls n ASN 57 N 5.26 -2.96 0.00 3.32 0.23 0.50 0.94 115.26 122.54 2dls n ASN 57 Ca -0.06 -0.70 0.00 0.00 -0.53 0.00 0.00 54.58 53.28 2dls n ASN 57 Cb 0.45 -2.47 0.00 0.00 -2.08 0.00 0.00 39.78 35.68 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 -1.17 2.97 3.63 4.83 0.00 -1.26 -5.00 105.19 109.20 2dls n GLY 58 Ca 0.05 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.34 4.20 -0.46 2.61 2.01 0.27 -4.98 115.64 116.95 2dls s THR 59 Ca 0.00 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 63.07 2dls s THR 59 Cb 0.00 -4.19 0.03 0.00 0.01 0.00 0.00 72.50 68.35 2dls s THR 59 CO 0.00 -0.46 1.18 -0.04 -0.69 0.00 0.00 174.62 174.61 2dls s MET 60 N 4.06 3.72 -0.25 4.92 -1.94 -1.26 -0.38 119.30 128.17 2dls s MET 60 Ca 0.55 0.66 0.13 0.00 -1.71 0.00 0.00 55.69 55.32 2dls s MET 60 Cb -0.16 -3.92 0.69 0.00 2.01 0.00 0.00 34.83 33.45 2dls s MET 60 CO 0.22 -1.39 1.65 1.33 -0.01 0.00 0.00 175.02 176.81 2dls n VAL 61 N 6.83 2.66 0.31 -6.03 0.24 -1.22 -4.56 118.33 116.56 2dls n VAL 61 Ca 0.13 -1.72 0.19 0.00 -2.04 0.00 0.00 64.34 60.89 2dls n VAL 61 Cb 0.49 -0.30 1.00 0.00 -1.47 0.00 0.00 33.84 33.56 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 2.71 0.00 0.00 3.34 1.35 -1.86 -2.91 112.91 115.55 2dls h THR 62 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 2dls h THR 62 Cb 1.90 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2dls h THR 62 CO 0.47 0.00 -0.99 -0.46 -0.25 0.00 0.00 175.52 174.29 2dls n ASN 63 N -2.88 4.59 -3.29 5.36 6.94 -1.26 -4.14 115.26 120.58 2dls n ASN 63 Ca -0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.41 2dls n ASN 63 Cb 0.17 0.32 0.12 0.00 -2.36 0.00 0.00 39.78 38.03 2dls n ASN 63 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2dls n SER 64 N -2.16 -2.66 -4.63 0.53 7.64 -1.10 -4.72 113.62 106.52 2dls n SER 64 Ca 0.00 -0.36 -0.28 0.00 1.01 0.00 0.00 58.87 59.24 2dls n SER 64 Cb 0.49 -0.55 -0.11 0.00 -1.01 0.00 0.00 64.21 63.04 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 -2.05 3.92 0.09 6.43 0.15 -1.25 -4.39 113.70 116.60 2dls s SER 65 Ca 0.28 -1.35 -0.25 0.00 0.70 0.00 0.00 55.95 55.32 2dls s SER 65 Cb -0.05 -0.40 -0.09 0.00 -1.71 0.00 0.00 66.02 63.77 2dls s SER 65 CO 0.23 -0.46 1.41 -0.74 1.20 0.00 0.00 173.24 174.88 2dls h HIS 66 N 1.74 -1.23 -0.70 3.44 2.76 -1.70 -0.59 115.15 118.87 2dls h HIS 66 Ca -0.44 0.05 0.14 0.00 -2.20 0.00 0.00 60.37 57.92 2dls h HIS 66 Cb 1.24 0.56 -0.13 0.00 1.55 0.00 0.00 27.41 30.63 2dls h HIS 66 CO 0.73 -0.40 -0.19 1.25 -1.30 0.00 0.00 177.93 178.02 2dls h LEU 67 N -0.40 -0.71 -2.31 0.26 7.12 -1.96 1.11 115.31 118.42 2dls h LEU 67 Ca 0.03 0.22 0.03 0.00 0.13 0.00 0.00 57.88 58.29 2dls h LEU 67 Cb 0.49 0.46 -0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2dls h LEU 67 CO -0.36 -0.24 0.12 -0.33 -0.13 0.00 0.00 178.44 177.50 2dls h GLU 68 N -0.01 0.00 0.11 1.25 4.39 -1.72 -2.21 114.58 116.39 2dls h GLU 68 Ca 0.33 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.78 2dls h GLU 68 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2dls h GLU 68 CO -0.73 0.00 -1.26 0.28 -1.16 0.00 0.00 179.01 176.14 2dls h VAL 69 N 0.00 1.14 -0.98 3.13 2.07 0.26 -3.36 116.25 118.51 2dls h VAL 69 Ca 0.05 -2.42 0.28 0.00 0.82 0.00 0.00 66.70 65.44 2dls h VAL 69 Cb 0.29 2.80 -0.18 0.00 -1.52 0.00 0.00 31.29 32.68 2dls h VAL 69 CO -0.00 0.69 0.08 0.58 0.02 0.00 0.00 177.57 178.94 2dls h VAL 70 N -0.36 0.04 -0.52 2.57 2.07 0.18 1.53 116.25 121.76 2dls h VAL 70 Ca -0.27 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2dls h VAL 70 Cb 1.70 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2dls h VAL 70 CO 0.06 0.00 0.23 0.07 0.02 0.00 0.00 177.57 177.96 2dls h LYS 71 N 0.02 0.73 -0.13 1.57 2.10 -1.69 -0.02 116.57 119.16 2dls h LYS 71 Ca 0.62 -0.09 -0.09 0.00 -2.00 0.00 0.00 60.65 59.08 2dls h LYS 71 Cb 1.31 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2dls h LYS 71 CO -0.89 0.58 -0.28 -0.07 -2.00 0.00 0.00 179.45 176.79 2dls h LEU 72 N 0.73 0.47 -0.34 7.07 3.38 0.19 -1.66 115.31 125.15 2dls h LEU 72 Ca 0.18 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2dls h LEU 72 Cb 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2dls h LEU 72 CO -0.02 0.95 0.14 0.40 0.09 0.00 0.00 178.44 179.99 2dls h ILE 73 N 0.00 1.18 0.00 1.22 2.04 -0.62 -3.33 117.51 118.01 2dls h ILE 73 Ca 0.00 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2dls h ILE 73 Cb 0.88 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2dls h ILE 73 CO 0.06 0.20 0.00 0.29 0.00 0.00 0.00 178.15 178.70 2dls n LYS 74 N -4.70 0.00 -1.16 2.37 5.02 -0.04 -4.49 118.16 115.16 2dls n LYS 74 Ca -0.01 0.41 -0.48 0.00 -2.02 0.00 0.00 58.31 56.21 2dls n LYS 74 Cb 0.14 -1.27 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 2dls n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dls n SER 75 N -1.72 0.54 0.00 4.39 2.88 -0.62 -4.42 113.62 114.66 2dls n SER 75 Ca 0.00 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2dls n SER 75 Cb 0.00 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 6.30 2.71 0.42 0.46 0.00 -1.26 -4.82 105.19 108.99 2dls n GLY 76 Ca 0.51 -1.21 0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 1.26 1.18 -2.32 4.61 0.00 -1.26 -4.48 120.51 119.51 2dls n ALA 77 Ca 0.00 0.65 -0.20 0.00 0.00 0.00 0.00 53.44 53.89 2dls n ALA 77 Cb 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 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 -4.80 1.71 -0.13 0.00 -0.85 -1.26 -3.47 117.35 108.55 2dls s TYR 78 Ca -0.05 -1.58 -0.10 0.00 -0.52 0.00 0.00 57.07 54.82 2dls s TYR 78 Cb 0.24 -0.78 0.04 0.00 0.38 0.00 0.00 41.96 41.84 2dls s TYR 78 CO 0.66 -0.75 0.34 0.54 -1.52 0.00 0.00 175.55 174.81 2dls s VAL 79 N -3.47 -0.01 -0.23 -3.49 0.11 -1.19 -4.94 120.40 107.18 2dls s VAL 79 Ca 0.38 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 59.33 2dls s VAL 79 Cb 0.03 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2dls s VAL 79 CO 0.24 0.02 0.32 0.00 -3.33 0.00 0.00 175.10 172.34 2dls s ALA 80 N 0.59 3.57 -0.03 1.54 0.00 -1.26 -2.36 121.76 123.81 2dls s ALA 80 Ca -0.03 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.26 2dls s ALA 80 Cb -0.05 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 2dls s ALA 80 CO -0.04 -0.39 -0.24 -0.51 0.00 0.00 0.00 175.76 174.59 2dls s LEU 81 N 1.48 2.16 -0.50 0.00 1.43 0.34 -0.37 118.68 123.21 2dls s LEU 81 Ca 0.14 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 2dls s LEU 81 Cb -0.15 -1.38 0.12 0.00 0.03 0.00 0.00 46.19 44.82 2dls s LEU 81 CO 0.08 0.31 0.40 -0.89 0.23 0.00 0.00 176.35 176.48 2dls s THR 82 N -0.53 4.58 -0.13 5.49 2.01 -1.04 -0.82 115.64 125.20 2dls s THR 82 Ca 0.07 -1.69 -0.22 0.00 0.31 0.00 0.00 61.69 60.16 2dls s THR 82 Cb -0.11 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2dls s THR 82 CO 0.00 -0.81 0.66 -0.76 -0.69 0.00 0.00 174.62 173.02 2dls s LEU 83 N 1.44 4.24 -0.05 4.42 1.43 -0.30 -1.89 118.68 127.98 2dls s LEU 83 Ca 0.05 1.02 -0.07 0.00 -1.03 0.00 0.00 54.13 54.10 2dls s LEU 83 Cb -0.28 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2dls s LEU 83 CO 0.01 -0.18 0.23 -0.22 0.23 0.00 0.00 176.35 176.41 2dls s LEU 84 N 1.27 4.39 -0.13 1.79 0.20 -1.18 -0.46 118.68 124.55 2dls s LEU 84 Ca 0.33 0.55 -0.04 0.00 0.69 0.00 0.00 54.13 55.67 2dls s LEU 84 Cb -0.17 -2.41 0.07 0.00 -0.43 0.00 0.00 46.19 43.25 2dls s LEU 84 CO 0.14 0.33 0.20 -0.83 -0.29 0.00 0.00 176.35 175.90 2dls s GLY 85 N -1.37 0.00 -0.16 7.98 0.00 -1.25 -4.48 107.32 108.04 2dls s GLY 85 Ca 0.22 0.54 0.02 0.00 0.00 0.00 0.00 44.72 45.49 2dls s GLY 85 CO 0.11 1.90 -0.20 -1.35 0.00 0.00 0.00 173.10 173.55 2dls s SER 86 N 2.33 3.16 -1.56 1.64 1.04 -1.26 -3.56 113.70 115.50 2dls s SER 86 Ca 0.04 -0.62 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 2dls s SER 86 Cb -0.13 -1.47 0.09 0.00 0.10 0.00 0.00 66.02 64.60 2dls s SER 86 CO -0.08 0.04 0.77 -0.24 0.98 0.00 0.00 173.24 174.70 2dls n SER 87 N 4.35 -3.00 -3.79 7.02 2.88 -1.26 -4.92 113.62 114.90 2dls n SER 87 Ca -0.20 -0.92 -0.29 0.00 -1.33 0.00 0.00 58.87 56.13 2dls n SER 87 Cb 0.51 -3.29 -0.12 0.00 -0.75 0.00 0.00 64.21 60.55 2dls n SER 87 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dls s SER 88 N -3.61 3.96 0.03 -3.46 0.15 -1.26 -5.08 113.70 104.43 2dls s SER 88 Ca 0.50 -3.34 0.00 0.00 0.70 0.00 0.00 55.95 53.81 2dls s SER 88 Cb -0.26 -1.33 -0.00 0.00 -1.71 0.00 0.00 66.02 62.72 2dls s SER 88 CO 0.88 -0.16 0.01 0.61 1.20 0.00 0.00 173.24 175.78 2dls n GLY 89 N 2.62 4.02 3.77 9.45 0.00 -1.26 -5.07 105.19 118.72 2dls n GLY 89 Ca 0.17 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.11 3.36 -0.24 1.61 0.04 -1.26 -5.04 135.00 131.36 2dls s PRO 90 Ca 0.02 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 2dls s PRO 90 Cb 0.00 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.60 2dls s PRO 90 CO 0.01 -0.84 0.02 0.45 0.04 0.00 0.00 177.00 176.68 2dls s SER 91 N -1.77 3.53 -0.20 6.66 0.15 -1.26 -5.11 113.70 115.70 2dls s SER 91 Ca 0.73 -1.16 -0.16 0.00 0.70 0.00 0.00 55.95 56.06 2dls s SER 91 Cb -0.24 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 2dls s SER 91 CO 0.27 -0.31 0.41 -0.55 1.20 0.00 0.00 173.24 174.27 2dls s SER 92 N 1.62 6.45 0.00 5.45 0.15 -1.26 -5.35 113.70 120.76 2dls s SER 92 Ca -0.00 0.54 0.29 0.00 0.70 0.00 0.00 55.95 57.48 2dls s SER 92 Cb -0.18 -2.24 1.36 0.00 -1.71 0.00 0.00 66.02 63.25 2dls s SER 92 CO -0.11 -0.09 1.92 0.61 1.20 0.00 0.00 173.24 176.77