#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 4.58 -0.34 1.61 1.04 -1.26 -5.02 113.70 114.31 2dls s SER 2 Ca 0.00 1.86 -0.03 0.00 0.48 0.00 0.00 55.95 58.26 2dls s SER 2 Cb 0.00 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.66 2dls s SER 2 CO 0.00 -1.98 0.08 -0.94 0.98 0.00 0.00 173.24 171.38 2dls s SER 3 N -3.25 5.07 -0.28 7.02 1.04 -1.26 -5.06 113.70 116.97 2dls s SER 3 Ca 0.62 -1.51 -0.15 0.00 0.48 0.00 0.00 55.95 55.39 2dls s SER 3 Cb -0.18 -1.77 0.09 0.00 0.10 0.00 0.00 66.02 64.26 2dls s SER 3 CO 0.54 -0.36 0.69 -0.83 0.98 0.00 0.00 173.24 174.26 2dls s GLY 4 N 1.45 -0.64 -0.49 7.32 0.00 -1.26 -5.10 107.32 108.60 2dls s GLY 4 Ca -0.00 2.44 -0.43 0.00 0.00 0.00 0.00 44.72 46.72 2dls s GLY 4 CO -0.02 2.50 2.15 1.44 0.00 0.00 0.00 173.10 179.17 2dls n SER 5 N 4.45 0.86 -4.59 1.64 7.64 -1.26 -4.78 113.62 117.59 2dls n SER 5 Ca -0.19 0.66 -0.42 0.00 1.01 0.00 0.00 58.87 59.93 2dls n SER 5 Cb 0.58 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 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 6.12 5.80 0.51 6.43 0.15 -1.26 -4.98 113.70 126.47 2dls s SER 6 Ca 1.19 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.85 2dls s SER 6 Cb -1.45 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 60.34 2dls s SER 6 CO 0.65 -1.84 0.00 0.61 1.20 0.00 0.00 173.24 173.86 2dls n GLY 7 N 5.44 -3.39 3.37 9.45 0.00 -1.26 -4.99 105.19 113.80 2dls n GLY 7 Ca 0.21 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.51 3.45 0.02 1.61 0.11 -1.26 -5.05 120.40 118.76 2dls s VAL 8 Ca 0.00 -0.49 0.07 0.00 -2.93 0.00 0.00 61.98 58.63 2dls s VAL 8 Cb 0.00 -2.53 -0.02 0.00 -1.53 0.00 0.00 36.38 32.30 2dls s VAL 8 CO 0.00 0.46 -0.22 0.00 -3.33 0.00 0.00 175.10 172.01 2dls s GLN 9 N 1.00 1.57 0.29 1.54 -2.07 -1.26 -1.71 119.66 119.02 2dls s GLN 9 Ca 0.00 -0.89 0.11 0.00 -1.82 0.00 0.00 55.36 52.76 2dls s GLN 9 Cb -0.15 -1.62 -0.05 0.00 -1.09 0.00 0.00 33.01 30.10 2dls s GLN 9 CO 0.00 0.43 -0.15 1.03 -1.32 0.00 0.00 175.29 175.28 2dls s ARG 10 N -0.91 1.79 -0.23 9.60 0.52 0.20 -4.95 118.95 124.98 2dls s ARG 10 Ca 0.08 -1.75 -0.07 0.00 -0.52 0.00 0.00 55.73 53.47 2dls s ARG 10 Cb -0.09 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.54 2dls s ARG 10 CO 0.01 0.30 0.07 0.00 0.02 0.00 0.00 175.30 175.69 2dls s VAL 12 N 1.19 1.85 -0.11 0.00 0.11 0.18 -4.97 120.40 118.65 2dls s VAL 12 Ca 0.05 -0.90 -0.00 0.00 -2.93 0.00 0.00 61.98 58.19 2dls s VAL 12 Cb -0.14 -1.60 -0.02 0.00 -1.53 0.00 0.00 36.38 33.08 2dls s VAL 12 CO 0.03 0.51 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.59 2dls s ILE 13 N 0.34 3.40 -0.12 7.04 1.01 -1.26 -1.15 121.20 130.46 2dls s ILE 13 Ca -0.16 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 59.95 2dls s ILE 13 Cb -0.17 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 2dls s ILE 13 CO 0.07 0.55 -0.19 -0.63 0.00 0.00 0.00 174.94 174.74 2dls s ILE 14 N -0.12 2.48 -0.27 2.92 1.01 -1.24 -4.96 121.20 121.02 2dls s ILE 14 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 2dls s ILE 14 Cb -0.13 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 2dls s ILE 14 CO 0.03 0.54 0.09 0.00 0.00 0.00 0.00 174.94 175.60 2dls s GLN 15 N 0.49 3.53 -0.40 2.79 -2.07 -1.26 -3.01 119.66 119.73 2dls s GLN 15 Ca -0.12 -0.57 -0.45 0.00 -1.82 0.00 0.00 55.36 52.40 2dls s GLN 15 Cb -0.17 -3.40 -0.19 0.00 -1.09 0.00 0.00 33.01 28.17 2dls s GLN 15 CO 0.05 -0.27 1.57 0.36 -1.32 0.00 0.00 175.29 175.69 2dls n LYS 16 N 4.94 0.23 -0.07 9.60 2.85 -1.24 -4.84 118.16 129.63 2dls n LYS 16 Ca -0.15 0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 57.08 2dls n LYS 16 Cb 0.51 -1.62 -0.06 0.00 -0.65 0.00 0.00 35.03 33.21 2dls n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2dls n ASP 17 N 3.99 2.19 -3.26 -5.58 8.00 -1.25 -4.76 116.55 115.87 2dls n ASP 17 Ca 0.29 0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.49 2dls n ASP 17 Cb -0.01 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 2dls n ASP 17 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2dls n GLN 18 N -3.18 3.99 -3.91 -1.24 0.00 -1.26 -4.86 117.38 106.92 2dls n GLN 18 Ca -0.25 -4.77 -0.25 0.00 -0.00 0.00 0.00 57.00 51.73 2dls n GLN 18 Cb 0.73 -2.33 -0.01 0.00 0.00 0.00 0.00 30.24 28.62 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 -0.03 -1.71 0.00 3.69 8.25 -1.26 -4.81 115.22 119.35 2dls n HIS 19 Ca 0.36 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.59 2dls n HIS 19 Cb 0.35 -3.85 0.00 0.00 1.12 0.00 0.00 29.99 27.61 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 -1.89 3.37 1.98 -1.41 0.00 -1.26 -5.13 105.19 100.85 2dls n GLY 20 Ca -0.29 -1.74 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.86 -3.83 -2.42 1.61 3.72 -1.26 -3.96 117.46 109.47 2dls n PHE 21 Ca 0.00 -0.59 0.03 0.00 -0.05 0.00 0.00 57.45 56.84 2dls n PHE 21 Cb 0.00 -0.56 0.05 0.00 -0.94 0.00 0.00 39.48 38.03 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 -0.17 1.76 3.07 1.37 0.00 -1.26 -4.86 105.19 105.10 2dls n GLY 22 Ca 0.09 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.01 0.58 0.00 1.61 -0.71 -1.26 -0.34 117.98 116.85 2dls s PHE 23 Ca 0.34 -0.69 -0.02 0.00 -1.04 0.00 0.00 56.93 55.53 2dls s PHE 23 Cb 0.38 -0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 2dls s PHE 23 CO -0.13 -0.17 0.02 0.95 -1.34 0.00 0.00 175.22 174.54 2dls s THR 24 N -2.27 0.06 0.48 -4.49 -4.23 -1.17 -5.04 115.64 98.98 2dls s THR 24 Ca -0.04 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 2dls s THR 24 Cb -0.04 -0.21 -0.02 0.00 1.34 0.00 0.00 72.50 73.57 2dls s THR 24 CO -0.03 -0.29 0.04 0.68 -0.54 0.00 0.00 174.62 174.49 2dls s VAL 25 N -0.87 0.99 -0.29 2.29 -7.23 -1.26 -0.27 120.40 113.75 2dls s VAL 25 Ca -0.10 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.91 2dls s VAL 25 Cb -0.06 -2.23 0.16 0.00 0.56 0.00 0.00 36.38 34.81 2dls s VAL 25 CO -0.00 0.00 1.03 -0.44 -0.31 0.00 0.00 175.10 175.37 2dls s SER 26 N -3.79 -0.43 0.00 4.85 0.01 -1.21 -4.78 113.70 108.35 2dls s SER 26 Ca 0.12 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.06 2dls s SER 26 Cb 0.02 1.19 0.00 0.00 0.21 0.00 0.00 66.02 67.44 2dls s SER 26 CO 0.07 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2dls n GLY 27 N 3.66 4.10 0.00 3.44 0.00 -1.26 -4.11 105.19 111.01 2dls n GLY 27 Ca -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.02 1.61 2.03 -1.26 -2.68 116.55 116.23 2dls n ASP 28 Ca 0.00 0.61 -0.00 0.00 0.52 0.00 0.00 54.79 55.92 2dls n ASP 28 Cb 0.00 -0.46 -0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2dls n ASP 28 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2dls h ARG 29 N 0.00 0.00 -5.80 -0.67 2.43 -1.80 -3.33 114.38 105.21 2dls h ARG 29 Ca 0.00 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.59 2dls h ARG 29 Cb 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.47 2dls h ARG 29 CO 0.00 0.00 -0.02 0.96 -1.51 0.00 0.00 179.97 179.40 2dls s ILE 30 N -1.25 5.12 -0.21 1.20 -5.25 -1.26 -4.32 121.20 115.22 2dls s ILE 30 Ca -0.00 1.13 -0.06 0.00 -0.99 0.00 0.00 60.65 60.73 2dls s ILE 30 Cb 0.00 -3.90 -0.03 0.00 2.95 0.00 0.00 42.46 41.48 2dls s ILE 30 CO 0.00 0.26 0.04 -0.69 -1.79 0.00 0.00 174.94 172.76 2dls s VAL 31 N 0.95 4.26 0.03 8.37 1.01 -1.26 -4.35 120.40 129.41 2dls s VAL 31 Ca 0.30 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2dls s VAL 31 Cb -0.16 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 2dls s VAL 31 CO 0.13 0.40 -0.11 -0.76 0.00 0.00 0.00 175.10 174.76 2dls s LEU 32 N 1.08 2.15 -0.26 3.92 1.43 -1.26 -2.27 118.68 123.46 2dls s LEU 32 Ca 0.03 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 2dls s LEU 32 Cb -0.14 -0.47 -0.06 0.00 0.03 0.00 0.00 46.19 45.55 2dls s LEU 32 CO 0.02 0.00 2.24 0.52 0.23 0.00 0.00 176.35 179.37 2dls n VAL 33 N 2.08 0.29 0.20 -1.59 0.31 -1.20 -3.33 118.33 115.08 2dls n VAL 33 Ca -0.18 -0.46 -0.11 0.00 -0.01 0.00 0.00 64.34 63.59 2dls n VAL 33 Cb 0.55 -2.46 -0.06 0.00 -0.91 0.00 0.00 33.84 30.97 2dls n VAL 33 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2dls h GLN 34 N 15.05 -0.53 -5.08 5.55 4.15 -0.94 -3.08 115.11 130.23 2dls h GLN 34 Ca -0.38 0.04 -0.39 0.00 0.77 0.00 0.00 58.65 58.68 2dls h GLN 34 Cb 1.25 0.12 -0.14 0.00 0.21 0.00 0.00 27.48 28.92 2dls h GLN 34 CO 0.98 -0.27 -0.64 -1.12 -1.93 0.00 0.00 178.83 175.86 2dls s SER 35 N -4.95 1.81 -0.11 -0.69 0.01 -1.12 -4.86 113.70 103.80 2dls s SER 35 Ca -0.11 -1.29 -0.04 0.00 1.31 0.00 0.00 55.95 55.82 2dls s SER 35 Cb 0.01 0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.32 2dls s SER 35 CO 0.36 -0.58 0.22 -0.69 0.41 0.00 0.00 173.24 172.97 2dls s VAL 36 N -3.46 -0.27 0.44 3.43 1.01 -1.26 -3.06 120.40 117.23 2dls s VAL 36 Ca 0.32 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 2dls s VAL 36 Cb 0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 36.38 35.96 2dls s VAL 36 CO 0.11 0.11 0.66 0.54 0.00 0.00 0.00 175.10 176.52 2dls n ARG 37 N 5.02 0.74 0.00 2.72 1.74 0.54 -4.81 116.66 122.61 2dls n ARG 37 Ca -0.11 0.27 0.08 0.00 -0.77 0.00 0.00 57.85 57.31 2dls n ARG 37 Cb 0.51 -1.66 0.44 0.00 -1.02 0.00 0.00 32.46 30.73 2dls n ARG 37 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2dls n PRO 38 N 0.38 0.42 -0.49 5.56 -0.04 -1.26 -3.77 135.00 135.80 2dls n PRO 38 Ca 0.11 0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 2dls n PRO 38 Cb 0.40 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.15 3.93 0.55 0.00 -1.26 -5.04 105.19 103.19 2dls n GLY 39 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2dls n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dls s GLY 40 N -0.17 1.70 0.58 -0.02 0.00 -1.25 -4.81 107.32 103.36 2dls s GLY 40 Ca 0.00 -1.04 0.29 0.00 0.00 0.00 0.00 44.72 43.96 2dls s GLY 40 CO 0.00 -0.50 1.92 0.00 0.00 0.00 0.00 173.10 174.52 2dls h ALA 41 N -0.97 2.22 -0.00 3.20 0.00 -1.89 -0.91 119.26 120.91 2dls h ALA 41 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2dls h ALA 41 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dls h ALA 41 CO 0.53 -0.70 -0.04 0.00 0.00 0.00 0.00 179.25 179.04 2dls h ALA 42 N 1.52 0.01 -0.71 0.00 0.00 -1.91 -2.54 119.26 115.62 2dls h ALA 42 Ca 0.22 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2dls h ALA 42 Cb 1.14 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2dls h ALA 42 CO -0.00 -0.10 0.43 1.98 0.00 0.00 0.00 179.25 181.55 2dls h MET 43 N -0.67 0.79 0.00 0.00 -1.53 -1.41 0.38 114.93 112.49 2dls h MET 43 Ca -0.00 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 2dls h MET 43 Cb 0.76 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.63 2dls h MET 43 CO 0.01 0.52 0.00 0.36 0.14 0.00 0.00 176.91 177.94 2dls n LYS 44 N -4.70 0.21 0.01 0.39 -0.00 -0.74 -2.66 118.16 110.68 2dls n LYS 44 Ca 0.08 0.38 -0.10 0.00 -0.00 0.00 0.00 58.31 58.68 2dls n LYS 44 Cb 0.13 -1.86 -0.14 0.00 -0.00 0.00 0.00 35.03 33.16 2dls n LYS 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dls h ALA 45 N 2.32 0.58 0.00 0.58 0.00 -0.52 -3.49 119.26 118.73 2dls h ALA 45 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 2dls h ALA 45 Cb 0.45 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2dls h ALA 45 CO 0.00 1.42 0.00 0.41 0.00 0.00 0.00 179.25 181.08 2dls n GLY 46 N 1.54 1.62 3.43 0.00 0.00 -0.48 -4.98 105.19 106.31 2dls n GLY 46 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 4.92 0.28 1.61 1.01 -0.97 -5.05 120.40 120.19 2dls s VAL 47 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2dls s VAL 47 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2dls s VAL 47 CO 0.00 -0.23 0.18 -0.54 0.00 0.00 0.00 175.10 174.51 2dls s LYS 48 N 1.62 2.75 0.02 2.72 1.02 -1.26 -4.58 119.74 122.03 2dls s LYS 48 Ca 0.04 -1.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 2dls s LYS 48 Cb -0.19 -2.46 -0.08 0.00 -0.52 0.00 0.00 37.83 34.59 2dls s LYS 48 CO 0.08 0.32 1.76 -1.21 -0.92 0.00 0.00 175.35 175.38 2dls s GLU 49 N -3.84 4.17 0.00 1.68 2.02 -1.26 -3.65 118.70 117.82 2dls s GLU 49 Ca 0.34 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.72 2dls s GLU 49 Cb -0.07 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.26 2dls s GLU 49 CO 0.24 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 175.09 2dls n GLY 50 N 4.22 0.99 3.04 -1.39 0.00 -1.16 -4.99 105.19 105.89 2dls n GLY 50 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.93 4.41 0.06 1.61 1.11 -1.24 -4.92 116.67 115.76 2dls s ASP 51 Ca 0.00 -1.50 -0.31 0.00 0.18 0.00 0.00 52.55 50.93 2dls s ASP 51 Cb 0.00 -1.50 -0.06 0.00 1.07 0.00 0.00 42.92 42.44 2dls s ASP 51 CO 0.00 -0.23 1.22 -0.60 1.18 0.00 0.00 175.17 176.74 2dls s ARG 52 N 1.12 4.41 -0.09 8.23 3.52 -1.26 -3.21 118.95 131.67 2dls s ARG 52 Ca -0.05 1.80 -0.26 0.00 -0.13 0.00 0.00 55.73 57.08 2dls s ARG 52 Cb -0.20 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 2dls s ARG 52 CO -0.06 -0.29 0.85 0.42 -0.81 0.00 0.00 175.30 175.40 2dls s ILE 53 N 1.18 4.91 -0.23 4.11 1.01 -0.96 -3.33 121.20 127.89 2dls s ILE 53 Ca 0.59 1.73 -0.15 0.00 0.00 0.00 0.00 60.65 62.82 2dls s ILE 53 Cb -0.30 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 37.91 2dls s ILE 53 CO 0.29 0.12 -0.35 -0.38 0.00 0.00 0.00 174.94 174.62 2dls n ILE 54 N 4.24 1.49 -4.87 2.92 2.08 -0.53 -4.38 119.36 120.31 2dls n ILE 54 Ca 0.04 -0.17 -0.27 0.00 0.56 0.00 0.00 62.75 62.91 2dls n ILE 54 Cb 0.50 -2.05 -0.15 0.00 -0.75 0.00 0.00 39.64 37.19 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 -2.64 1.57 -0.28 0.38 2.20 -1.26 -2.88 119.74 116.82 2dls s LYS 55 Ca -0.34 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 54.43 2dls s LYS 55 Cb 0.10 -1.58 0.09 0.00 -1.51 0.00 0.00 37.83 34.94 2dls s LYS 55 CO 0.45 0.42 0.09 0.08 -0.36 0.00 0.00 175.35 176.04 2dls s VAL 56 N -0.61 0.55 -1.40 4.02 1.01 -0.62 -2.20 120.40 121.16 2dls s VAL 56 Ca 0.08 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 2dls s VAL 56 Cb -0.08 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.98 2dls s VAL 56 CO 0.00 -0.59 0.93 0.59 0.00 0.00 0.00 175.10 176.03 2dls n ASN 57 N 5.00 -3.63 -0.17 3.32 4.13 -1.03 -0.70 115.26 122.18 2dls n ASN 57 Ca -0.04 -0.73 -0.02 0.00 1.68 0.00 0.00 54.58 55.46 2dls n ASN 57 Cb 0.43 -4.27 -0.01 0.00 -1.54 0.00 0.00 39.78 34.39 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 -1.66 0.54 3.00 7.41 0.00 -1.26 -4.99 105.19 108.23 2dls n GLY 58 Ca -0.11 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 2.04 0.00 2.61 2.01 0.12 -5.08 115.64 115.44 2dls s THR 59 Ca 0.00 -1.98 -0.30 0.00 0.31 0.00 0.00 61.69 59.73 2dls s THR 59 Cb 0.00 -2.40 -0.08 0.00 0.01 0.00 0.00 72.50 70.03 2dls s THR 59 CO 0.00 -0.42 1.92 -0.04 -0.69 0.00 0.00 174.62 175.38 2dls s MET 60 N 1.07 4.10 -0.21 4.92 -1.94 -1.26 -1.59 119.30 124.38 2dls s MET 60 Ca 0.04 2.49 0.13 0.00 -1.71 0.00 0.00 55.69 56.65 2dls s MET 60 Cb -0.19 -4.14 0.43 0.00 2.01 0.00 0.00 34.83 32.94 2dls s MET 60 CO -0.09 -0.99 1.30 1.33 -0.01 0.00 0.00 175.02 176.55 2dls n VAL 61 N 5.66 2.24 0.16 -6.03 0.24 -1.14 -4.66 118.33 114.79 2dls n VAL 61 Ca 0.20 -2.69 0.15 0.00 -2.04 0.00 0.00 64.34 59.96 2dls n VAL 61 Cb 0.42 -0.26 0.72 0.00 -1.47 0.00 0.00 33.84 33.25 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 0.86 0.74 0.00 3.34 1.35 -1.76 -3.15 112.91 114.28 2dls h THR 62 Ca 0.06 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.86 2dls h THR 62 Cb 1.24 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 2dls h THR 62 CO 0.14 0.00 -1.23 -3.20 -0.25 0.00 0.00 175.52 170.98 2dls n ASN 63 N -4.25 4.00 -3.86 5.36 2.85 -1.26 -4.56 115.26 113.55 2dls n ASN 63 Ca 0.02 -0.01 -0.35 0.00 -0.11 0.00 0.00 54.58 54.14 2dls n ASN 63 Cb 0.32 0.33 0.03 0.00 1.24 0.00 0.00 39.78 41.71 2dls n ASN 63 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2dls n SER 64 N -2.31 -5.39 -4.90 1.20 2.88 -1.19 -4.54 113.62 99.37 2dls n SER 64 Ca -0.06 0.25 -0.29 0.00 -1.33 0.00 0.00 58.87 57.44 2dls n SER 64 Cb 0.60 -0.74 -0.04 0.00 -0.75 0.00 0.00 64.21 63.28 2dls n SER 64 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dls s SER 65 N -0.95 6.47 0.06 -3.46 0.01 -1.25 -4.56 113.70 110.01 2dls s SER 65 Ca 0.41 0.70 -0.12 0.00 1.31 0.00 0.00 55.95 58.25 2dls s SER 65 Cb -0.22 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 2dls s SER 65 CO 0.76 -0.14 1.08 1.57 0.41 0.00 0.00 173.24 176.92 2dls n HIS 66 N -0.70 -0.17 -0.31 2.43 -0.00 -1.09 -0.77 115.22 114.60 2dls n HIS 66 Ca -0.02 0.49 -0.08 0.00 0.46 0.00 0.00 57.72 58.58 2dls n HIS 66 Cb 0.53 -0.50 -0.07 0.00 -0.12 0.00 0.00 29.99 29.84 2dls n HIS 66 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2dls n LEU 67 N -3.88 -0.78 -0.32 0.27 4.77 -1.26 0.20 117.00 116.01 2dls n LEU 67 Ca 0.01 1.33 0.10 0.00 -0.03 0.00 0.00 56.01 57.42 2dls n LEU 67 Cb 0.10 -0.18 0.27 0.00 -2.33 0.00 0.00 43.42 41.29 2dls n LEU 67 CO -0.06 -1.09 1.12 -0.33 -1.33 0.00 0.00 177.39 175.70 2dls h GLU 68 N 0.00 0.61 -0.32 3.23 4.39 -1.34 -0.69 114.58 120.46 2dls h GLU 68 Ca 0.13 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 2dls h GLU 68 Cb 0.31 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2dls h GLU 68 CO -0.70 0.40 -0.02 0.28 -1.16 0.00 0.00 179.01 177.80 2dls h VAL 69 N 0.63 1.27 0.19 3.13 2.07 0.30 -2.71 116.25 121.13 2dls h VAL 69 Ca 0.52 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2dls h VAL 69 Cb 0.81 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2dls h VAL 69 CO -0.40 0.33 -0.35 0.58 0.02 0.00 0.00 177.57 177.75 2dls h VAL 70 N 0.37 0.00 -0.98 2.57 2.07 0.10 -1.20 116.25 119.18 2dls h VAL 70 Ca 0.09 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.83 2dls h VAL 70 Cb 0.48 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.13 2dls h VAL 70 CO 0.02 0.00 0.56 0.07 0.02 0.00 0.00 177.57 178.24 2dls h LYS 71 N -0.58 0.58 -0.85 1.57 2.10 -1.46 0.17 116.57 118.11 2dls h LYS 71 Ca -0.02 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.63 2dls h LYS 71 Cb 0.54 -0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 31.69 2dls h LYS 71 CO -0.13 0.39 0.55 -0.07 -2.00 0.00 0.00 179.45 178.19 2dls h LEU 72 N 0.60 0.91 -1.88 7.07 3.38 -1.04 -0.64 115.31 123.72 2dls h LEU 72 Ca 0.61 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.56 2dls h LEU 72 Cb 1.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2dls h LEU 72 CO -0.46 0.63 -0.07 0.40 0.09 0.00 0.00 178.44 179.03 2dls h ILE 73 N 1.07 0.27 -0.19 1.22 2.04 0.51 -2.00 117.51 120.44 2dls h ILE 73 Ca 0.34 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2dls h ILE 73 Cb 0.00 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2dls h ILE 73 CO -0.12 0.07 0.00 0.29 0.00 0.00 0.00 178.15 178.40 2dls n LYS 74 N -3.32 2.25 -3.92 2.37 4.76 -0.25 -4.71 118.16 115.34 2dls n LYS 74 Ca -0.01 -1.03 -0.34 0.00 -2.87 0.00 0.00 58.31 54.06 2dls n LYS 74 Cb 0.25 -1.73 -0.14 0.00 -1.84 0.00 0.00 35.03 31.58 2dls n LYS 74 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2dls s SER 75 N -0.29 4.88 0.00 4.39 0.01 -0.75 -5.01 113.70 116.93 2dls s SER 75 Ca 0.18 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.85 2dls s SER 75 Cb 0.13 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.66 2dls s SER 75 CO 0.06 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2dls n GLY 76 N 4.53 0.26 0.32 3.44 0.00 -1.26 -4.78 105.19 107.71 2dls n GLY 76 Ca -0.08 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.20 -0.49 4.61 0.00 -1.95 -3.43 119.26 117.80 2dls h ALA 77 Ca 0.00 0.09 -0.57 0.00 0.00 0.00 0.00 54.91 54.43 2dls h ALA 77 Cb 0.00 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2dls h ALA 77 CO 0.00 -0.72 -0.23 1.52 0.00 0.00 0.00 179.25 179.81 2dls s TYR 78 N -6.02 1.41 -0.19 0.00 -0.85 -1.26 -3.69 117.35 106.76 2dls s TYR 78 Ca -0.15 -0.86 -0.06 0.00 -0.52 0.00 0.00 57.07 55.49 2dls s TYR 78 Cb 0.13 -1.96 0.09 0.00 0.38 0.00 0.00 41.96 40.60 2dls s TYR 78 CO 0.68 -0.72 0.38 0.54 -1.52 0.00 0.00 175.55 174.90 2dls s VAL 79 N -2.78 -0.59 -0.54 -3.49 0.11 -1.16 -4.89 120.40 107.05 2dls s VAL 79 Ca 0.40 0.16 -0.28 0.00 -2.93 0.00 0.00 61.98 59.32 2dls s VAL 79 Cb -0.03 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.21 2dls s VAL 79 CO 0.25 0.05 1.20 0.00 -3.33 0.00 0.00 175.10 173.28 2dls s ALA 80 N 2.56 3.03 -0.13 1.54 0.00 -1.26 -3.60 121.76 123.89 2dls s ALA 80 Ca 0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2dls s ALA 80 Cb -0.13 -4.00 -0.03 0.00 0.00 0.00 0.00 23.12 18.97 2dls s ALA 80 CO -0.12 -2.55 -0.04 -0.51 0.00 0.00 0.00 175.76 172.54 2dls s LEU 81 N 4.91 3.26 -0.56 0.00 1.43 -0.30 -2.46 118.68 124.97 2dls s LEU 81 Ca 0.46 -0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 2dls s LEU 81 Cb -0.08 -1.77 0.14 0.00 0.03 0.00 0.00 46.19 44.51 2dls s LEU 81 CO 0.28 0.22 0.48 -0.89 0.23 0.00 0.00 176.35 176.67 2dls s THR 82 N 0.04 4.89 0.29 5.49 2.01 -0.93 -0.65 115.64 126.77 2dls s THR 82 Ca 0.00 -1.77 -0.13 0.00 0.31 0.00 0.00 61.69 60.11 2dls s THR 82 Cb -0.13 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 2dls s THR 82 CO 0.03 -0.86 0.66 -0.76 -0.69 0.00 0.00 174.62 172.99 2dls s LEU 83 N 1.28 4.10 -0.13 4.42 1.43 -0.47 -1.46 118.68 127.86 2dls s LEU 83 Ca 0.06 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.31 2dls s LEU 83 Cb -0.26 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.06 2dls s LEU 83 CO 0.00 -0.16 -0.22 -0.22 0.23 0.00 0.00 176.35 175.98 2dls s LEU 84 N -2.94 2.10 0.19 1.79 0.20 -1.21 -0.62 118.68 118.19 2dls s LEU 84 Ca 0.51 -0.59 0.00 0.00 0.69 0.00 0.00 54.13 54.74 2dls s LEU 84 Cb -0.11 -1.43 0.00 0.00 -0.43 0.00 0.00 46.19 44.22 2dls s LEU 84 CO 0.19 0.10 0.00 0.61 -0.29 0.00 0.00 176.35 176.96 2dls n GLY 85 N 3.96 -4.50 3.71 7.98 0.00 -0.69 -4.50 105.19 111.15 2dls n GLY 85 Ca -0.20 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.11 4.38 0.57 1.61 1.04 -1.26 -4.86 113.70 114.07 2dls s SER 86 Ca 0.00 -1.05 -0.14 0.00 0.48 0.00 0.00 55.95 55.24 2dls s SER 86 Cb 0.00 -0.51 -0.06 0.00 0.10 0.00 0.00 66.02 65.55 2dls s SER 86 CO 0.00 -0.46 1.01 -0.55 0.98 0.00 0.00 173.24 174.22 2dls s SER 87 N -3.86 6.29 -0.29 7.02 0.15 -1.26 -5.08 113.70 116.68 2dls s SER 87 Ca 0.39 1.57 -0.09 0.00 0.70 0.00 0.00 55.95 58.52 2dls s SER 87 Cb 0.03 -2.50 0.13 0.00 -1.71 0.00 0.00 66.02 61.97 2dls s SER 87 CO 0.22 -0.82 0.62 -0.94 1.20 0.00 0.00 173.24 173.52 2dls s SER 88 N -3.39 -1.06 0.19 5.45 1.04 -1.26 -5.17 113.70 109.50 2dls s SER 88 Ca 0.58 1.50 -0.23 0.00 0.48 0.00 0.00 55.95 58.28 2dls s SER 88 Cb -0.11 2.20 0.06 0.00 0.10 0.00 0.00 66.02 68.26 2dls s SER 88 CO 0.40 -0.22 0.65 -0.83 0.98 0.00 0.00 173.24 174.22 2dls s GLY 89 N 2.87 -0.44 0.52 7.32 0.00 -1.26 -5.03 107.32 111.30 2dls s GLY 89 Ca -0.05 0.25 0.33 0.00 0.00 0.00 0.00 44.72 45.25 2dls s GLY 89 CO -0.18 0.08 1.97 -0.56 0.00 0.00 0.00 173.10 174.41 2dls h PRO 90 N 2.00 0.00 -6.01 2.90 0.13 -2.06 -3.44 132.00 125.53 2dls h PRO 90 Ca -0.29 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.24 2dls h PRO 90 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 2dls h PRO 90 CO 0.33 0.00 -0.33 -1.54 -0.23 0.00 0.00 178.00 176.23 2dls s SER 91 N -5.51 6.54 0.62 1.44 1.04 -1.26 -4.96 113.70 111.62 2dls s SER 91 Ca 0.01 0.63 0.28 0.00 0.48 0.00 0.00 55.95 57.36 2dls s SER 91 Cb 0.09 -2.12 1.48 0.00 0.10 0.00 0.00 66.02 65.57 2dls s SER 91 CO 0.52 0.20 1.87 0.77 0.98 0.00 0.00 173.24 177.57 2dls h SER 92 N 3.72 0.00 0.00 7.02 4.64 -2.05 -3.51 113.55 123.38 2dls h SER 92 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2dls h SER 92 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2dls h SER 92 CO 0.67 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.24