#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 6.76 -0.79 1.61 0.01 -1.26 -4.85 113.70 115.18 2dls s SER 2 Ca 0.00 2.26 -0.24 0.00 1.31 0.00 0.00 55.95 59.29 2dls s SER 2 Cb 0.00 -2.56 -0.18 0.00 0.21 0.00 0.00 66.02 63.49 2dls s SER 2 CO 0.00 -0.78 2.42 -1.54 0.41 0.00 0.00 173.24 173.76 2dls n SER 3 N 5.35 0.99 0.00 2.44 3.41 -1.26 -4.49 113.62 120.05 2dls n SER 3 Ca 0.14 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 2dls n SER 3 Cb 0.42 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2dls n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dls n GLY 4 N 6.25 3.69 3.76 5.00 0.00 -1.26 -5.09 105.19 117.55 2dls n GLY 4 Ca 0.52 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 5.53 -0.52 1.61 0.01 -1.26 -4.98 113.70 114.08 2dls s SER 5 Ca 0.00 2.33 -0.17 0.00 1.31 0.00 0.00 55.95 59.43 2dls s SER 5 Cb 0.00 -2.60 0.10 0.00 0.21 0.00 0.00 66.02 63.73 2dls s SER 5 CO 0.00 -1.36 0.51 -0.44 0.41 0.00 0.00 173.24 172.37 2dls s SER 6 N -1.56 6.18 0.00 2.44 0.01 -1.26 -5.04 113.70 114.46 2dls s SER 6 Ca 0.73 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2dls s SER 6 Cb -0.29 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2dls s SER 6 CO 0.32 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2dls n GLY 7 N 5.23 0.99 3.71 3.44 0.00 -1.26 -5.00 105.19 112.30 2dls n GLY 7 Ca -0.12 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 0.35 4.97 0.08 1.61 0.11 -1.26 -4.97 120.40 121.28 2dls s VAL 8 Ca 0.00 1.69 0.06 0.00 -2.93 0.00 0.00 61.98 60.80 2dls s VAL 8 Cb 0.00 -4.15 -0.03 0.00 -1.53 0.00 0.00 36.38 30.67 2dls s VAL 8 CO 0.00 0.20 -0.17 0.00 -3.33 0.00 0.00 175.10 171.80 2dls s GLN 9 N 0.97 0.99 0.05 1.54 0.00 -1.26 -2.27 119.66 119.68 2dls s GLN 9 Ca 0.43 -1.02 0.06 0.00 -0.00 0.00 0.00 55.36 54.84 2dls s GLN 9 Cb -0.19 -1.11 -0.02 0.00 0.00 0.00 0.00 33.01 31.68 2dls s GLN 9 CO 0.21 0.26 -0.18 0.50 0.00 0.00 0.00 175.29 176.08 2dls s ARG 10 N -1.71 1.17 -0.01 9.60 3.52 -0.25 -4.96 118.95 126.31 2dls s ARG 10 Ca 0.02 -0.88 -0.18 0.00 -0.13 0.00 0.00 55.73 54.56 2dls s ARG 10 Cb -0.10 -1.25 -0.06 0.00 -1.56 0.00 0.00 34.95 31.99 2dls s ARG 10 CO 0.03 0.31 0.52 0.00 -0.81 0.00 0.00 175.30 175.35 2dls s VAL 12 N -0.45 -0.16 -0.12 0.00 0.11 0.36 -4.98 120.40 115.16 2dls s VAL 12 Ca 0.28 0.23 -0.10 0.00 -2.93 0.00 0.00 61.98 59.45 2dls s VAL 12 Cb -0.18 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 2dls s VAL 12 CO 0.15 0.09 0.23 -0.63 -3.33 0.00 0.00 175.10 171.61 2dls s ILE 13 N 1.67 5.35 -0.07 7.04 1.01 -1.26 -0.32 121.20 134.61 2dls s ILE 13 Ca -0.05 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.02 2dls s ILE 13 Cb -0.11 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.85 2dls s ILE 13 CO -0.07 0.53 -0.07 -0.63 0.00 0.00 0.00 174.94 174.71 2dls s ILE 14 N -0.51 0.82 0.07 2.92 1.01 -1.05 -4.83 121.20 119.62 2dls s ILE 14 Ca 0.16 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.59 2dls s ILE 14 Cb -0.13 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2dls s ILE 14 CO 0.05 0.31 0.18 0.00 0.00 0.00 0.00 174.94 175.48 2dls s GLN 15 N 1.25 3.31 0.46 2.79 0.00 -1.26 -1.53 119.66 124.68 2dls s GLN 15 Ca -0.05 -0.51 -0.20 0.00 -0.00 0.00 0.00 55.36 54.61 2dls s GLN 15 Cb -0.14 -2.96 -0.10 0.00 0.00 0.00 0.00 33.01 29.81 2dls s GLN 15 CO -0.02 0.59 0.97 -1.59 0.00 0.00 0.00 175.29 175.25 2dls s LYS 16 N -2.53 4.08 -0.16 9.60 -2.85 -0.34 -4.69 119.74 122.85 2dls s LYS 16 Ca 0.34 1.14 -0.00 0.00 -1.00 0.00 0.00 55.97 56.44 2dls s LYS 16 Cb -0.13 -2.15 0.04 0.00 -2.06 0.00 0.00 37.83 33.53 2dls s LYS 16 CO 0.27 -0.16 -0.07 -0.51 0.10 0.00 0.00 175.35 174.98 2dls s ASP 17 N -2.30 2.85 -0.70 0.03 1.01 0.72 -4.75 116.67 113.53 2dls s ASP 17 Ca 0.62 -0.65 -0.03 0.00 0.71 0.00 0.00 52.55 53.20 2dls s ASP 17 Cb -0.11 -0.97 0.00 0.00 1.01 0.00 0.00 42.92 42.86 2dls s ASP 17 CO 0.18 -0.16 0.39 1.67 0.21 0.00 0.00 175.17 177.45 2dls n GLN 18 N 4.85 -2.86 -3.03 8.23 -0.06 -1.26 -3.16 117.38 120.09 2dls n GLN 18 Ca -0.13 0.42 -0.13 0.00 -2.00 0.00 0.00 57.00 55.16 2dls n GLN 18 Cb 0.48 -4.23 0.04 0.00 -4.06 0.00 0.00 30.24 22.47 2dls n GLN 18 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2dls n HIS 19 N -3.79 -1.50 -3.64 3.69 8.25 -1.26 -5.02 115.22 111.95 2dls n HIS 19 Ca -0.03 0.51 -0.02 0.00 -0.26 0.00 0.00 57.72 57.92 2dls n HIS 19 Cb 0.55 -3.17 -0.06 0.00 1.12 0.00 0.00 29.99 28.42 2dls n HIS 19 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2dls s GLY 20 N -3.12 0.06 -0.03 -1.41 0.00 -1.19 -5.08 107.32 96.56 2dls s GLY 20 Ca 0.30 3.21 -0.07 0.00 0.00 0.00 0.00 44.72 48.15 2dls s GLY 20 CO 0.37 2.62 0.45 0.74 0.00 0.00 0.00 173.10 177.27 2dls h PHE 21 N 5.99 -0.24 0.00 1.90 -1.00 -1.88 0.21 116.94 121.92 2dls h PHE 21 Ca -0.28 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.50 2dls h PHE 21 Cb 1.19 0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.83 2dls h PHE 21 CO 0.12 -0.15 0.00 0.41 -1.61 0.00 0.00 178.31 177.08 2dls n GLY 22 N 0.77 3.66 3.76 -1.45 0.00 -1.26 -3.54 105.19 107.14 2dls n GLY 22 Ca -0.03 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 3.79 0.33 1.61 -0.71 -1.26 -3.74 117.98 118.00 2dls s PHE 23 Ca 0.00 1.83 0.09 0.00 -1.04 0.00 0.00 56.93 57.80 2dls s PHE 23 Cb 0.00 -3.03 -0.05 0.00 -1.21 0.00 0.00 43.02 38.74 2dls s PHE 23 CO 0.00 0.14 0.08 0.95 -1.34 0.00 0.00 175.22 175.06 2dls s THR 24 N -1.33 2.92 0.21 -4.49 -4.23 -1.06 -5.01 115.64 102.66 2dls s THR 24 Ca 0.45 -1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.06 2dls s THR 24 Cb -0.25 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 2dls s THR 24 CO 0.31 -0.20 0.34 0.68 -0.54 0.00 0.00 174.62 175.20 2dls s VAL 25 N -2.45 0.02 -0.25 2.29 -7.23 -1.26 -2.54 120.40 108.97 2dls s VAL 25 Ca 0.36 -1.56 -0.26 0.00 -1.81 0.00 0.00 61.98 58.71 2dls s VAL 25 Cb -0.02 -2.19 0.13 0.00 0.56 0.00 0.00 36.38 34.87 2dls s VAL 25 CO 0.21 -0.07 1.09 -0.55 -0.31 0.00 0.00 175.10 175.47 2dls s SER 26 N -3.04 -0.36 0.00 4.85 0.15 -1.21 -4.88 113.70 109.21 2dls s SER 26 Ca 0.25 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2dls s SER 26 Cb 0.02 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2dls s SER 26 CO 0.08 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2dls n GLY 27 N 1.72 4.79 0.00 9.45 0.00 -1.26 -3.44 105.19 116.44 2dls n GLY 27 Ca -0.11 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2dls n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dls n ASP 28 N 0.00 0.00 0.00 1.61 8.00 -1.26 -2.49 116.55 122.41 2dls n ASP 28 Ca 0.00 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2dls n ASP 28 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 2dls n ASP 28 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2dls n ARG 29 N -1.84 0.00 -3.24 -1.24 1.74 -1.26 -3.57 116.66 107.24 2dls n ARG 29 Ca 0.00 0.25 -0.39 0.00 -0.77 0.00 0.00 57.85 56.94 2dls n ARG 29 Cb 0.00 -0.97 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 2dls n ARG 29 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2dls s ILE 30 N -1.15 5.04 -0.24 0.55 -5.25 -1.26 -3.93 121.20 114.96 2dls s ILE 30 Ca 0.00 1.13 -0.10 0.00 -0.99 0.00 0.00 60.65 60.70 2dls s ILE 30 Cb 0.00 -3.89 -0.05 0.00 2.95 0.00 0.00 42.46 41.47 2dls s ILE 30 CO 0.00 0.37 0.14 -0.69 -1.79 0.00 0.00 174.94 172.97 2dls s VAL 31 N 0.19 5.21 0.08 8.37 1.01 -1.26 -4.47 120.40 129.52 2dls s VAL 31 Ca 0.30 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.49 2dls s VAL 31 Cb -0.17 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2dls s VAL 31 CO 0.14 0.35 -0.23 -0.76 0.00 0.00 0.00 175.10 174.61 2dls s LEU 32 N 1.06 2.24 -0.24 3.92 1.43 -1.22 -2.13 118.68 123.73 2dls s LEU 32 Ca 0.07 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 2dls s LEU 32 Cb -0.14 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 2dls s LEU 32 CO 0.04 0.14 1.45 -0.69 0.23 0.00 0.00 176.35 177.52 2dls s VAL 33 N -0.98 3.94 -0.05 -1.59 1.01 -1.03 -3.32 120.40 118.37 2dls s VAL 33 Ca 0.09 1.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.89 2dls s VAL 33 Cb -0.10 -3.92 -0.22 0.00 0.00 0.00 0.00 36.38 32.14 2dls s VAL 33 CO 0.04 -0.35 1.08 -0.61 0.00 0.00 0.00 175.10 175.25 2dls h GLN 34 N 9.82 0.12 -3.34 2.72 4.15 -1.83 -3.10 115.11 123.64 2dls h GLN 34 Ca -0.30 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 58.98 2dls h GLN 34 Cb 1.13 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 28.72 2dls h GLN 34 CO 1.01 0.81 -0.02 -1.12 -1.93 0.00 0.00 178.83 177.58 2dls s SER 35 N -6.12 -0.26 -0.19 -0.69 0.01 -1.26 -4.87 113.70 100.32 2dls s SER 35 Ca -0.16 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 2dls s SER 35 Cb 0.01 0.52 0.05 0.00 0.21 0.00 0.00 66.02 66.81 2dls s SER 35 CO 0.72 -0.94 -0.03 -0.69 0.41 0.00 0.00 173.24 172.70 2dls s VAL 36 N -3.83 1.08 0.11 3.43 1.01 -1.26 -2.55 120.40 118.39 2dls s VAL 36 Ca 0.06 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 2dls s VAL 36 Cb 0.01 -1.37 -0.15 0.00 0.00 0.00 0.00 36.38 34.86 2dls s VAL 36 CO -0.08 -0.03 0.59 -1.14 0.00 0.00 0.00 175.10 174.44 2dls n ARG 37 N 4.86 0.00 -2.05 2.72 3.00 -1.25 -4.70 116.66 119.24 2dls n ARG 37 Ca -0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.47 2dls n ARG 37 Cb 0.46 -0.98 -0.05 0.00 0.00 0.00 0.00 32.46 31.89 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 -0.56 2.55 0.00 -0.14 0.04 -1.26 -2.86 135.00 132.77 2dls s PRO 38 Ca 0.61 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2dls s PRO 38 Cb -0.87 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 28.58 2dls s PRO 38 CO 0.47 -3.46 0.00 0.41 0.04 0.00 0.00 177.00 174.46 2dls n GLY 39 N 6.71 0.64 0.00 0.56 0.00 -1.26 -5.06 105.19 106.78 2dls n GLY 39 Ca 0.41 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.14 0.79 0.13 -0.02 0.00 -1.13 -4.87 105.19 98.95 2dls n GLY 40 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 1.43 -0.04 4.61 0.00 -1.23 -4.20 120.51 118.07 2dls n ALA 41 Ca 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 53.44 52.20 2dls n ALA 41 Cb 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 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 0.02 0.17 -0.55 0.00 0.00 -1.86 -3.19 119.26 113.86 2dls h ALA 42 Ca -0.57 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 54.08 2dls h ALA 42 Cb 1.91 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.58 2dls h ALA 42 CO -0.08 0.10 0.03 1.98 0.00 0.00 0.00 179.25 181.28 2dls h MET 43 N -0.11 0.15 -0.78 0.00 -1.53 -1.79 -0.59 114.93 110.28 2dls h MET 43 Ca 0.01 -0.01 0.12 0.00 -3.44 0.00 0.00 59.70 56.38 2dls h MET 43 Cb 0.76 -0.03 -0.08 0.00 -0.55 0.00 0.00 31.60 31.69 2dls h MET 43 CO 0.04 0.10 0.38 0.87 0.14 0.00 0.00 176.91 178.44 2dls h LYS 44 N 0.15 0.57 -0.11 0.39 1.57 -1.73 1.00 116.57 118.41 2dls h LYS 44 Ca 0.28 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2dls h LYS 44 Cb 0.43 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2dls h LYS 44 CO -0.43 0.38 0.02 0.00 -0.57 0.00 0.00 179.45 178.84 2dls h ALA 45 N 1.50 1.83 0.00 3.86 0.00 -1.10 -3.46 119.26 121.89 2dls h ALA 45 Ca 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2dls h ALA 45 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dls h ALA 45 CO -0.33 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.47 2dls n GLY 46 N -1.36 1.02 3.70 0.00 0.00 0.34 -5.02 105.19 103.87 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 -2.00 4.28 0.30 1.61 1.01 -1.17 -5.04 120.40 119.38 2dls s VAL 47 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2dls s VAL 47 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2dls s VAL 47 CO 0.00 0.41 0.13 -0.54 0.00 0.00 0.00 175.10 175.10 2dls s LYS 48 N -1.47 1.56 0.53 2.72 -0.14 -1.26 -4.52 119.74 117.16 2dls s LYS 48 Ca 0.19 -1.88 -0.21 0.00 -1.36 0.00 0.00 55.97 52.71 2dls s LYS 48 Cb -0.12 -0.26 -0.06 0.00 -1.68 0.00 0.00 37.83 35.72 2dls s LYS 48 CO 0.09 -0.38 1.20 -1.21 -0.76 0.00 0.00 175.35 174.29 2dls s GLU 49 N -3.89 3.36 0.00 1.68 2.02 -1.26 -3.83 118.70 116.77 2dls s GLU 49 Ca 0.35 1.81 0.00 0.00 0.02 0.00 0.00 54.97 57.16 2dls s GLU 49 Cb 0.06 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.14 2dls s GLU 49 CO 0.16 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.95 2dls n GLY 50 N 0.44 0.99 3.18 -1.39 0.00 -1.17 -5.02 105.19 102.21 2dls n GLY 50 Ca 0.11 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.62 4.90 -0.57 1.61 1.01 -1.25 -4.66 116.67 115.10 2dls s ASP 51 Ca 0.00 -1.26 -0.25 0.00 0.71 0.00 0.00 52.55 51.75 2dls s ASP 51 Cb 0.00 -1.72 0.04 0.00 1.01 0.00 0.00 42.92 42.25 2dls s ASP 51 CO 0.00 -0.26 1.02 -0.60 0.21 0.00 0.00 175.17 175.54 2dls s ARG 52 N 1.26 3.37 0.15 8.23 3.52 -1.26 -2.48 118.95 131.75 2dls s ARG 52 Ca -0.05 -0.14 -0.30 0.00 -0.13 0.00 0.00 55.73 55.11 2dls s ARG 52 Cb -0.20 -4.05 -0.08 0.00 -1.56 0.00 0.00 34.95 29.06 2dls s ARG 52 CO -0.01 -1.57 1.31 0.42 -0.81 0.00 0.00 175.30 174.64 2dls s ILE 53 N 4.28 3.39 -0.26 4.11 1.01 -0.91 -2.91 121.20 129.91 2dls s ILE 53 Ca 0.34 1.07 -0.16 0.00 0.00 0.00 0.00 60.65 61.90 2dls s ILE 53 Cb -0.11 -3.69 -0.14 0.00 0.01 0.00 0.00 42.46 38.53 2dls s ILE 53 CO 0.21 0.13 -0.19 -0.38 0.00 0.00 0.00 174.94 174.70 2dls n ILE 54 N 3.23 1.53 -4.44 2.92 2.08 -0.13 -4.56 119.36 119.99 2dls n ILE 54 Ca 0.08 -0.27 -0.26 0.00 0.56 0.00 0.00 62.75 62.86 2dls n ILE 54 Cb 0.43 -1.94 -0.11 0.00 -0.75 0.00 0.00 39.64 37.27 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 -2.48 1.57 -0.22 0.38 2.20 -1.26 -3.03 119.74 116.90 2dls s LYS 55 Ca -0.36 -1.60 -0.04 0.00 -0.36 0.00 0.00 55.97 53.62 2dls s LYS 55 Cb 0.12 -1.82 0.07 0.00 -1.51 0.00 0.00 37.83 34.69 2dls s LYS 55 CO 0.51 0.38 0.09 0.08 -0.36 0.00 0.00 175.35 176.05 2dls s VAL 56 N -1.93 0.17 -1.67 4.02 1.01 0.73 -2.53 120.40 120.21 2dls s VAL 56 Ca 0.24 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2dls s VAL 56 Cb -0.07 -0.90 0.17 0.00 0.00 0.00 0.00 36.38 35.58 2dls s VAL 56 CO 0.11 -0.41 0.70 -0.46 0.00 0.00 0.00 175.10 175.05 2dls n ASN 57 N 5.17 -2.94 0.00 3.32 6.94 0.59 0.95 115.26 129.28 2dls n ASN 57 Ca -0.07 -0.98 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 2dls n ASN 57 Cb 0.46 -2.44 0.00 0.00 -2.36 0.00 0.00 39.78 35.44 2dls n ASN 57 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dls n GLY 58 N -1.26 2.86 3.64 4.83 0.00 -1.26 -4.97 105.19 109.03 2dls n GLY 58 Ca 0.08 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.90 4.47 -0.14 2.61 2.01 0.27 -5.00 115.64 117.96 2dls s THR 59 Ca 0.00 1.69 -0.29 0.00 0.31 0.00 0.00 61.69 63.40 2dls s THR 59 Cb 0.00 -4.42 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 2dls s THR 59 CO 0.00 -0.51 1.18 -0.04 -0.69 0.00 0.00 174.62 174.56 2dls s MET 60 N 3.72 4.28 -0.39 4.92 -1.94 -1.26 -0.19 119.30 128.44 2dls s MET 60 Ca 0.46 1.58 0.05 0.00 -1.71 0.00 0.00 55.69 56.08 2dls s MET 60 Cb -0.12 -3.67 0.50 0.00 2.01 0.00 0.00 34.83 33.55 2dls s MET 60 CO 0.17 -0.59 1.57 1.33 -0.01 0.00 0.00 175.02 177.48 2dls n VAL 61 N 5.10 2.86 0.18 -6.03 0.24 -1.17 -4.61 118.33 114.90 2dls n VAL 61 Ca 0.12 -3.12 0.03 0.00 -2.04 0.00 0.00 64.34 59.33 2dls n VAL 61 Cb 0.46 -0.74 0.40 0.00 -1.47 0.00 0.00 33.84 32.48 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 1.31 1.22 0.00 3.34 1.35 -1.82 -3.35 112.91 114.97 2dls h THR 62 Ca 0.39 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2dls h THR 62 Cb 1.54 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2dls h THR 62 CO 0.83 0.30 -0.94 -0.46 -0.25 0.00 0.00 175.52 175.00 2dls n ASN 63 N -4.18 4.24 -4.12 5.36 0.23 -1.25 -4.20 115.26 111.32 2dls n ASN 63 Ca -0.02 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.68 2dls n ASN 63 Cb 0.34 0.23 0.07 0.00 -2.08 0.00 0.00 39.78 38.34 2dls n ASN 63 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2dls n SER 64 N -2.19 -4.51 -4.93 0.53 7.64 -1.26 -4.26 113.62 104.64 2dls n SER 64 Ca 0.00 0.18 -0.25 0.00 1.01 0.00 0.00 58.87 59.81 2dls n SER 64 Cb 0.47 -0.85 0.02 0.00 -1.01 0.00 0.00 64.21 62.84 2dls n SER 64 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dls s SER 65 N -1.30 5.65 0.15 6.43 1.04 -1.23 -4.28 113.70 120.16 2dls s SER 65 Ca 0.45 0.52 -0.16 0.00 0.48 0.00 0.00 55.95 57.23 2dls s SER 65 Cb -0.15 -1.59 0.02 0.00 0.10 0.00 0.00 66.02 64.40 2dls s SER 65 CO 0.76 -0.95 1.81 -0.74 0.98 0.00 0.00 173.24 175.11 2dls h HIS 66 N 0.04 0.49 -0.83 5.02 2.76 -1.62 -2.18 115.15 118.83 2dls h HIS 66 Ca -0.45 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 57.90 2dls h HIS 66 Cb 1.26 -0.17 -0.11 0.00 1.55 0.00 0.00 27.41 29.94 2dls h HIS 66 CO 0.46 0.31 0.36 -0.07 -1.30 0.00 0.00 177.93 177.68 2dls h LEU 67 N 0.53 0.33 -0.77 0.26 3.38 -1.95 0.16 115.31 117.26 2dls h LEU 67 Ca 0.15 0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 2dls h LEU 67 Cb -0.05 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2dls h LEU 67 CO -0.04 0.08 -0.30 -0.33 0.09 0.00 0.00 178.44 177.94 2dls h GLU 68 N 0.45 0.59 -0.75 1.13 4.39 -1.84 -2.99 114.58 115.57 2dls h GLU 68 Ca 0.48 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 2dls h GLU 68 Cb 0.80 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 2dls h GLU 68 CO -0.45 0.83 0.29 0.28 -1.16 0.00 0.00 179.01 178.79 2dls h VAL 69 N 0.51 1.25 0.33 3.13 2.07 -0.13 -3.09 116.25 120.32 2dls h VAL 69 Ca 0.06 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 2dls h VAL 69 Cb 0.77 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2dls h VAL 69 CO 0.06 0.33 -0.21 0.58 0.02 0.00 0.00 177.57 178.35 2dls h VAL 70 N 1.09 0.00 -0.92 2.57 2.07 -1.03 -0.76 116.25 119.28 2dls h VAL 70 Ca 0.25 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.02 2dls h VAL 70 Cb 0.23 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.83 2dls h VAL 70 CO -0.02 0.00 0.02 0.29 0.02 0.00 0.00 177.57 177.88 2dls n LYS 71 N -3.61 -0.07 -0.18 1.57 5.02 -1.20 0.15 118.16 119.84 2dls n LYS 71 Ca -0.06 1.37 -0.08 0.00 -2.02 0.00 0.00 58.31 57.52 2dls n LYS 71 Cb 0.21 -2.18 0.01 0.00 -0.02 0.00 0.00 35.03 33.06 2dls n LYS 71 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2dls h LEU 72 N 0.00 0.77 0.40 -0.35 3.38 -1.42 -2.61 115.31 115.48 2dls h LEU 72 Ca 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 2dls h LEU 72 Cb 1.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2dls h LEU 72 CO -0.86 0.78 -0.19 0.40 0.09 0.00 0.00 178.44 178.66 2dls h ILE 73 N 0.72 0.00 0.00 1.22 2.04 0.29 -3.34 117.51 118.45 2dls h ILE 73 Ca 0.17 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2dls h ILE 73 Cb 0.29 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2dls h ILE 73 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 2dls n LYS 74 N -3.60 0.00 -1.43 2.37 5.02 0.06 -4.23 118.16 116.35 2dls n LYS 74 Ca -0.07 0.83 -0.49 0.00 -2.02 0.00 0.00 58.31 56.57 2dls n LYS 74 Cb 0.21 -1.40 -0.09 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.48 1.49 0.00 4.39 2.88 -0.98 -4.54 113.62 114.37 2dls n SER 75 Ca 0.00 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2dls n SER 75 Cb 0.00 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 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 6.66 3.81 0.34 0.46 0.00 -1.26 -4.86 105.19 110.33 2dls n GLY 76 Ca 0.49 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 45.38 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 0.82 -2.26 4.61 0.00 -1.90 -3.43 119.26 117.10 2dls h ALA 77 Ca 0.00 0.35 -0.46 0.00 0.00 0.00 0.00 54.91 54.80 2dls h ALA 77 Cb 0.00 0.66 -0.14 0.00 0.00 0.00 0.00 17.79 18.31 2dls h ALA 77 CO 0.00 -0.45 -0.54 1.52 0.00 0.00 0.00 179.25 179.78 2dls s TYR 78 N -6.16 1.68 -0.13 0.00 -0.85 -1.26 -1.19 117.35 109.43 2dls s TYR 78 Ca -0.14 -1.39 -0.06 0.00 -0.52 0.00 0.00 57.07 54.96 2dls s TYR 78 Cb 0.27 -0.92 0.06 0.00 0.38 0.00 0.00 41.96 41.75 2dls s TYR 78 CO 0.77 -0.51 0.29 0.54 -1.52 0.00 0.00 175.55 175.12 2dls s VAL 79 N -3.47 -0.24 -0.48 -3.49 0.11 -0.58 -4.93 120.40 107.32 2dls s VAL 79 Ca 0.33 0.19 -0.28 0.00 -2.93 0.00 0.00 61.98 59.29 2dls s VAL 79 Cb 0.04 -0.47 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 2dls s VAL 79 CO 0.18 0.08 1.10 0.00 -3.33 0.00 0.00 175.10 173.14 2dls s ALA 80 N 1.86 3.17 -0.05 1.54 0.00 -1.26 -2.53 121.76 124.48 2dls s ALA 80 Ca -0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 2dls s ALA 80 Cb -0.11 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2dls s ALA 80 CO -0.10 -2.23 0.04 -0.51 0.00 0.00 0.00 175.76 172.96 2dls s LEU 81 N 4.35 3.73 -0.47 0.00 1.43 0.56 -0.30 118.68 127.98 2dls s LEU 81 Ca 0.46 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 2dls s LEU 81 Cb -0.08 -1.99 0.12 0.00 0.03 0.00 0.00 46.19 44.27 2dls s LEU 81 CO 0.31 0.34 0.28 -0.89 0.23 0.00 0.00 176.35 176.62 2dls s THR 82 N -1.01 3.55 0.17 5.49 2.01 -1.05 -0.49 115.64 124.30 2dls s THR 82 Ca 0.17 -2.21 -0.25 0.00 0.31 0.00 0.00 61.69 59.71 2dls s THR 82 Cb -0.12 -3.39 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 2dls s THR 82 CO 0.07 -0.75 0.78 -0.76 -0.69 0.00 0.00 174.62 173.27 2dls s LEU 83 N 0.91 4.60 -0.12 4.42 1.43 -0.79 -0.95 118.68 128.18 2dls s LEU 83 Ca 0.10 1.65 0.03 0.00 -1.03 0.00 0.00 54.13 54.88 2dls s LEU 83 Cb -0.23 -3.30 0.01 0.00 0.03 0.00 0.00 46.19 42.70 2dls s LEU 83 CO -0.04 0.21 -0.20 -0.22 0.23 0.00 0.00 176.35 176.34 2dls s LEU 84 N -1.14 1.95 0.28 1.79 0.20 -1.15 -1.09 118.68 119.52 2dls s LEU 84 Ca 0.36 -0.52 -0.26 0.00 0.69 0.00 0.00 54.13 54.40 2dls s LEU 84 Cb -0.23 -1.28 -0.15 0.00 -0.43 0.00 0.00 46.19 44.09 2dls s LEU 84 CO 0.26 0.07 0.61 0.61 -0.29 0.00 0.00 176.35 177.62 2dls n GLY 85 N 3.97 -1.41 3.30 7.98 0.00 -0.96 -4.23 105.19 113.85 2dls n GLY 85 Ca -0.20 0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.87 5.58 -0.36 1.61 1.04 -1.26 -4.86 113.70 114.57 2dls s SER 86 Ca 0.62 -1.24 -0.29 0.00 0.48 0.00 0.00 55.95 55.52 2dls s SER 86 Cb -0.79 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 63.37 2dls s SER 86 CO 0.58 -0.43 1.35 -0.44 0.98 0.00 0.00 173.24 175.28 2dls s SER 87 N 1.72 6.52 -1.27 7.02 0.01 -1.26 -3.93 113.70 122.51 2dls s SER 87 Ca 0.01 1.00 -0.03 0.00 1.31 0.00 0.00 55.95 58.24 2dls s SER 87 Cb -0.21 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2dls s SER 87 CO 0.04 -1.25 0.06 -1.54 0.41 0.00 0.00 173.24 170.96 2dls n SER 88 N 8.18 0.38 0.00 2.44 3.41 -1.26 -4.87 113.62 121.89 2dls n SER 88 Ca 0.15 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2dls n SER 88 Cb 0.47 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 2dls n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dls n GLY 89 N -2.29 -0.19 0.26 5.00 0.00 -1.25 -4.87 105.19 101.85 2dls n GLY 89 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 2dls n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dls h PRO 90 N 0.00 0.90 -6.75 1.61 0.13 -1.89 -3.44 132.00 122.56 2dls h PRO 90 Ca 0.00 -0.47 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 2dls h PRO 90 Cb 0.00 0.02 0.08 0.00 0.13 0.00 0.00 31.00 31.22 2dls h PRO 90 CO 0.00 1.12 0.90 0.45 -0.23 0.00 0.00 178.00 180.24 2dls n SER 91 N -4.05 3.82 0.11 1.44 2.88 -1.26 -4.92 113.62 111.64 2dls n SER 91 Ca -0.02 1.13 -0.23 0.00 -1.33 0.00 0.00 58.87 58.41 2dls n SER 91 Cb 0.54 -1.58 -0.15 0.00 -0.75 0.00 0.00 64.21 62.27 2dls n SER 91 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dls h SER 92 N 5.24 0.73 0.00 -3.46 0.87 -1.97 -3.46 113.55 111.49 2dls h SER 92 Ca -0.46 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.18 2dls h SER 92 Cb 1.22 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2dls h SER 92 CO 0.83 1.60 0.00 0.61 -0.53 0.00 0.00 176.83 179.34