#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri s ILE 4 N 0.00 3.56 -0.09 -0.18 1.09 -1.22 -4.39 121.20 119.97 2wri s ILE 4 Ca 0.00 -1.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.52 2wri s ILE 4 Cb 0.00 -2.62 0.02 0.00 -1.06 0.00 0.00 42.46 38.80 2wri s ILE 4 CO 0.00 0.23 -0.07 -0.60 -0.10 0.00 0.00 174.94 174.40 2wri s ARG 5 N -1.89 1.30 -0.08 2.79 3.52 0.15 -2.52 118.95 122.21 2wri s ARG 5 Ca 0.20 -0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 2wri s ARG 5 Cb -0.11 -1.33 -0.02 0.00 -1.56 0.00 0.00 34.95 31.92 2wri s ARG 5 CO 0.12 -0.19 -0.12 0.96 -0.81 0.00 0.00 175.30 175.26 2wri s ILE 6 N 1.44 3.24 -0.24 4.11 -5.25 -0.75 -1.41 121.20 122.34 2wri s ILE 6 Ca -0.01 -0.63 -0.07 0.00 -0.99 0.00 0.00 60.65 58.94 2wri s ILE 6 Cb -0.13 -2.32 -0.03 0.00 2.95 0.00 0.00 42.46 42.93 2wri s ILE 6 CO -0.04 0.57 0.06 -0.54 -1.79 0.00 0.00 174.94 173.19 2wri s LYS 7 N -0.38 3.65 -0.24 0.37 -0.14 -0.39 -2.87 119.74 119.74 2wri s LYS 7 Ca 0.05 -0.48 -0.03 0.00 -1.36 0.00 0.00 55.97 54.14 2wri s LYS 7 Cb -0.12 -3.28 0.01 0.00 -1.68 0.00 0.00 37.83 32.76 2wri s LYS 7 CO 0.02 -0.15 -0.04 -0.51 -0.76 0.00 0.00 175.35 173.91 2wri s LEU 8 N 1.49 3.09 0.22 3.17 1.43 -0.52 0.23 118.68 127.79 2wri s LEU 8 Ca 0.06 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2wri s LEU 8 Cb -0.15 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 2wri s LEU 8 CO 0.03 -0.09 -0.07 -0.13 0.23 0.00 0.00 176.35 176.32 2wri s ARG 9 N 1.41 1.33 0.00 1.70 0.52 0.91 -1.50 118.95 123.32 2wri s ARG 9 Ca 0.03 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2wri s ARG 9 Cb -0.16 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.44 2wri s ARG 9 CO -0.04 0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.74 2wri n GLY 10 N -0.40 -0.54 0.13 -3.53 0.00 -1.05 -1.61 105.19 98.19 2wri n GLY 10 Ca -0.07 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 2wri n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wri n PHE 11 N -0.75 0.09 -2.76 1.61 0.99 -1.26 -0.39 117.46 114.99 2wri n PHE 11 Ca 0.00 0.02 -0.43 0.00 -0.00 0.00 0.00 57.45 57.05 2wri n PHE 11 Cb 0.00 -1.01 -0.03 0.00 -1.00 0.00 0.00 39.48 37.44 2wri n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2wri s ASP 12 N -6.75 6.80 0.00 4.37 3.68 -1.26 -4.65 116.67 118.86 2wri s ASP 12 Ca -0.35 0.83 0.26 0.00 2.13 0.00 0.00 52.55 55.41 2wri s ASP 12 Cb 0.10 -2.49 1.30 0.00 -1.45 0.00 0.00 42.92 40.38 2wri s ASP 12 CO 0.59 -0.80 1.86 0.00 0.13 0.00 0.00 175.17 176.95 2wri n HIS 13 N 6.67 0.00 -0.03 -5.34 1.44 -1.26 -1.83 115.22 114.88 2wri n HIS 13 Ca 0.09 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.59 2wri n HIS 13 Cb 0.48 -0.28 -0.13 0.00 0.12 0.00 0.00 29.99 30.17 2wri n HIS 13 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2wri n LYS 14 N -1.28 0.73 0.09 -1.40 4.81 -1.26 -2.82 118.16 117.03 2wri n LYS 14 Ca 0.12 0.25 -0.04 0.00 -0.87 0.00 0.00 58.31 57.77 2wri n LYS 14 Cb 0.20 -1.67 -0.05 0.00 0.02 0.00 0.00 35.03 33.53 2wri n LYS 14 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2wri h THR 15 N 0.02 1.52 0.00 3.15 1.35 -1.98 -2.03 112.91 114.93 2wri h THR 15 Ca -0.46 -3.01 -0.11 0.00 -0.55 0.00 0.00 66.41 62.28 2wri h THR 15 Cb 1.98 2.67 -0.02 0.00 -1.73 0.00 0.00 68.15 71.05 2wri h THR 15 CO 0.04 0.83 -0.52 0.25 -0.25 0.00 0.00 175.52 175.87 2wri h LEU 16 N 0.00 0.00 -0.16 3.87 7.12 -1.53 -2.33 115.31 122.28 2wri h LEU 16 Ca -0.01 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.93 2wri h LEU 16 Cb 1.60 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.73 2wri h LEU 16 CO 0.11 0.52 -0.17 -0.78 -0.13 0.00 0.00 178.44 177.99 2wri h ASP 17 N 0.00 0.42 0.09 1.25 3.58 -1.35 -3.34 116.42 117.07 2wri h ASP 17 Ca -0.01 -0.49 -0.00 0.00 0.42 0.00 0.00 57.03 56.95 2wri h ASP 17 Cb 1.25 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2wri h ASP 17 CO 0.07 0.83 -0.04 0.00 -2.88 0.00 0.00 179.24 177.21 2wri h ALA 18 N 0.61 -0.75 0.00 -0.78 0.00 -1.28 -2.86 119.26 114.20 2wri h ALA 18 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wri h ALA 18 Cb 0.71 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wri h ALA 18 CO 0.04 -0.74 0.00 -1.13 0.00 0.00 0.00 179.25 177.42 2wri n SER 19 N -2.41 0.00 0.03 0.00 3.41 -0.89 -0.62 113.62 113.15 2wri n SER 19 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2wri n SER 19 Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2wri n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wri n ALA 20 N 0.82 3.00 0.65 7.33 0.00 -1.22 -4.37 120.51 126.72 2wri n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wri n ALA 20 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2wri n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wri n GLN 21 N -3.05 0.59 -0.04 0.00 7.27 0.21 -1.32 117.38 121.05 2wri n GLN 21 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 2wri n GLN 21 Cb 0.18 -1.27 -0.03 0.00 2.41 0.00 0.00 30.24 31.53 2wri n GLN 21 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2wri n LYS 22 N 0.14 0.16 -0.08 3.69 0.00 -0.81 -4.44 118.16 116.83 2wri n LYS 22 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.37 2wri n LYS 22 Cb 0.13 -0.87 0.00 0.00 0.00 0.00 0.00 35.03 34.29 2wri n LYS 22 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2wri n ILE 23 N -3.15 1.03 0.07 3.15 5.41 -0.43 -2.98 119.36 122.45 2wri n ILE 23 Ca -0.14 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.53 2wri n ILE 23 Cb 0.61 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 2wri n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2wri n VAL 24 N 0.75 0.35 0.26 1.39 0.31 -1.23 -4.43 118.33 115.73 2wri n VAL 24 Ca 0.00 0.12 0.14 0.00 -0.01 0.00 0.00 64.34 64.59 2wri n VAL 24 Cb 0.44 -0.79 0.76 0.00 -0.91 0.00 0.00 33.84 33.34 2wri n VAL 24 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wri h GLU 25 N 0.00 0.00 -0.24 5.55 5.08 -1.77 2.16 114.58 125.36 2wri h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wri h GLU 25 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wri h GLU 25 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2wri n ALA 26 N -1.84 2.43 0.00 3.43 0.00 -1.16 -4.05 120.51 119.33 2wri n ALA 26 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2wri n ALA 26 Cb 0.21 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2wri n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wri n ALA 27 N 1.42 1.98 0.29 0.00 0.00 0.64 -4.52 120.51 120.32 2wri n ALA 27 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 2wri n ALA 27 Cb 0.60 0.28 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 2wri n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wri h ARG 28 N 0.00 -0.75 -0.79 0.00 3.08 0.11 -3.15 114.38 112.89 2wri h ARG 28 Ca 0.00 0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.18 2wri h ARG 28 Cb 0.98 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 2wri h ARG 28 CO 0.00 -0.50 0.51 -0.09 -1.07 0.00 0.00 179.97 178.83 2wri h ARG 29 N -1.02 0.77 -0.47 0.04 2.43 -1.79 -1.28 114.38 113.07 2wri h ARG 29 Ca -0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2wri h ARG 29 Cb 0.60 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2wri h ARG 29 CO 0.13 0.51 0.00 -1.13 -1.51 0.00 0.00 179.97 177.97 2wri n SER 30 N -4.49 0.47 0.00 -3.80 3.41 -1.19 -4.91 113.62 103.10 2wri n SER 30 Ca 0.12 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 2wri n SER 30 Cb 0.27 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2wri n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wri n GLY 31 N 0.25 0.52 1.09 5.00 0.00 -0.48 -3.38 105.19 108.18 2wri n GLY 31 Ca 0.00 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.63 2wri n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wri n ALA 32 N -1.00 -1.50 -0.70 4.61 0.00 -1.26 -4.52 120.51 116.15 2wri n ALA 32 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 2wri n ALA 32 Cb 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 19.45 18.98 2wri n ALA 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wri n GLN 33 N 0.45 -0.95 -3.74 0.00 6.02 -1.26 -4.60 117.38 113.30 2wri n GLN 33 Ca 0.06 -0.28 -0.12 0.00 -0.01 0.00 0.00 57.00 56.65 2wri n GLN 33 Cb 0.03 -1.21 -0.13 0.00 1.02 0.00 0.00 30.24 29.95 2wri n GLN 33 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wri s VAL 34 N -2.04 -0.03 -0.18 5.09 1.01 -1.26 -1.99 120.40 121.00 2wri s VAL 34 Ca 0.22 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 2wri s VAL 34 Cb -0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 2wri s VAL 34 CO 0.26 0.04 1.07 -0.94 0.00 0.00 0.00 175.10 175.53 2wri s SER 35 N 0.95 7.11 0.24 3.32 1.04 -0.11 -4.96 113.70 121.30 2wri s SER 35 Ca -0.07 1.48 -0.07 0.00 0.48 0.00 0.00 55.95 57.77 2wri s SER 35 Cb -0.08 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.43 2wri s SER 35 CO -0.06 -0.63 -0.10 0.61 0.98 0.00 0.00 173.24 174.04 2wri n GLY 36 N 3.31 -1.43 3.64 7.32 0.00 -1.26 -3.88 105.19 112.89 2wri n GLY 36 Ca 0.11 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2wri n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wri s PRO 37 N -0.48 3.79 -0.22 1.61 0.02 -1.26 -4.74 135.00 133.71 2wri s PRO 37 Ca 0.22 2.29 -0.15 0.00 0.02 0.00 0.00 61.00 63.38 2wri s PRO 37 Cb -0.18 -4.20 -0.04 0.00 0.02 0.00 0.00 34.50 30.09 2wri s PRO 37 CO 0.28 -1.35 0.37 0.96 -0.33 0.00 0.00 177.00 176.94 2wri s ILE 38 N 5.72 5.20 -0.34 2.83 -4.36 0.49 -4.84 121.20 125.91 2wri s ILE 38 Ca 0.89 0.64 -0.19 0.00 -0.26 0.00 0.00 60.65 61.73 2wri s ILE 38 Cb -0.37 -3.70 -0.00 0.00 1.25 0.00 0.00 42.46 39.63 2wri s ILE 38 CO 0.37 0.24 0.58 -2.16 0.24 0.00 0.00 174.94 174.21 2wri s PRO 39 N 1.47 3.74 0.43 0.37 0.04 -1.26 0.79 135.00 140.58 2wri s PRO 39 Ca 0.17 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.27 2wri s PRO 39 Cb -0.15 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.61 2wri s PRO 39 CO 0.08 -0.64 0.65 -0.51 0.04 0.00 0.00 177.00 176.62 2wri s LEU 40 N 2.55 3.70 0.42 -3.56 1.43 -1.18 -4.98 118.68 117.06 2wri s LEU 40 Ca 0.22 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.36 2wri s LEU 40 Cb -0.15 -3.14 -0.13 0.00 0.03 0.00 0.00 46.19 42.80 2wri s LEU 40 CO 0.13 -0.65 0.41 -0.81 0.23 0.00 0.00 176.35 175.66 2wri n PRO 41 N -2.02 0.40 -3.68 1.29 -0.04 -1.26 -4.38 135.00 125.31 2wri n PRO 41 Ca 0.01 0.15 -0.37 0.00 -0.04 0.00 0.00 63.50 63.25 2wri n PRO 41 Cb 0.58 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 2wri n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wri s THR 42 N -1.54 5.24 -0.67 0.52 2.01 -1.26 -4.59 115.64 115.35 2wri s THR 42 Ca 0.62 0.48 -0.22 0.00 0.31 0.00 0.00 61.69 62.88 2wri s THR 42 Cb -0.61 -3.58 0.07 0.00 0.01 0.00 0.00 72.50 68.39 2wri s THR 42 CO 0.59 0.52 0.97 -0.13 -0.69 0.00 0.00 174.62 175.89 2wri s ARG 43 N -1.27 3.12 -0.17 4.92 1.81 -1.08 -4.92 118.95 121.36 2wri s ARG 43 Ca 0.23 -0.85 -0.25 0.00 -1.72 0.00 0.00 55.73 53.14 2wri s ARG 43 Cb -0.14 -4.25 -0.02 0.00 -0.45 0.00 0.00 34.95 30.10 2wri s ARG 43 CO 0.11 -1.82 0.81 0.08 -0.68 0.00 0.00 175.30 173.81 2wri s VAL 44 N 4.05 4.90 -0.22 3.52 1.01 -1.26 -1.81 120.40 130.58 2wri s VAL 44 Ca 0.22 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.80 2wri s VAL 44 Cb -0.17 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.13 2wri s VAL 44 CO 0.10 0.04 -0.14 -0.60 0.00 0.00 0.00 175.10 174.50 2wri s ARG 45 N 2.09 2.78 0.18 2.72 3.52 -1.10 -4.98 118.95 124.18 2wri s ARG 45 Ca 0.37 -0.99 0.04 0.00 -0.13 0.00 0.00 55.73 55.03 2wri s ARG 45 Cb -0.17 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 2wri s ARG 45 CO 0.12 -0.35 0.24 1.03 -0.81 0.00 0.00 175.30 175.54 2wri s ARG 46 N 1.26 3.20 -0.20 5.12 0.52 -1.26 0.14 118.95 127.73 2wri s ARG 46 Ca 0.00 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.41 2wri s ARG 46 Cb -0.16 -2.80 0.06 0.00 0.52 0.00 0.00 34.95 32.58 2wri s ARG 46 CO -0.08 0.48 0.04 -0.06 0.02 0.00 0.00 175.30 175.69 2wri s PHE 47 N -1.84 1.07 -0.24 -0.53 0.40 0.18 -4.96 117.98 112.06 2wri s PHE 47 Ca 0.33 -0.92 -0.12 0.00 -0.60 0.00 0.00 56.93 55.62 2wri s PHE 47 Cb -0.10 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.32 2wri s PHE 47 CO 0.27 -0.63 0.23 0.99 0.70 0.00 0.00 175.22 176.78 2wri s THR 48 N 1.84 5.30 0.04 0.64 2.01 -1.26 -2.15 115.64 122.06 2wri s THR 48 Ca -0.00 0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.31 2wri s THR 48 Cb -0.17 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2wri s THR 48 CO -0.09 0.29 -0.03 0.54 -0.69 0.00 0.00 174.62 174.64 2wri s VAL 49 N 1.32 0.21 -0.12 3.82 0.11 -1.25 -5.00 120.40 119.49 2wri s VAL 49 Ca 0.10 -1.46 -0.25 0.00 -2.93 0.00 0.00 61.98 57.45 2wri s VAL 49 Cb -0.14 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.65 2wri s VAL 49 CO 0.07 -0.79 0.79 0.27 -3.33 0.00 0.00 175.10 172.11 2wri s ILE 50 N -2.91 4.95 0.07 7.04 -0.00 -1.26 -2.17 121.20 126.92 2wri s ILE 50 Ca -0.02 1.59 -0.14 0.00 -0.00 0.00 0.00 60.65 62.08 2wri s ILE 50 Cb 0.01 -4.11 -0.03 0.00 -0.00 0.00 0.00 42.46 38.32 2wri s ILE 50 CO -0.06 0.12 1.14 0.54 -0.00 0.00 0.00 174.94 176.68 2wri n ARG 51 N 4.56 -0.20 -2.28 0.37 5.12 -1.21 -4.73 116.66 118.30 2wri n ARG 51 Ca 0.02 1.12 -0.25 0.00 -1.93 0.00 0.00 57.85 56.81 2wri n ARG 51 Cb 0.50 -1.66 0.08 0.00 -1.16 0.00 0.00 32.46 30.22 2wri n ARG 51 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2wri s GLY 52 N -1.80 1.73 -0.02 -0.13 0.00 -1.26 -5.03 107.32 100.81 2wri s GLY 52 Ca -0.05 -1.12 -0.20 0.00 0.00 0.00 0.00 44.72 43.35 2wri s GLY 52 CO 0.28 -0.67 0.95 -0.56 0.00 0.00 0.00 173.10 173.11 2wri h PRO 53 N -0.62 0.39 -5.45 2.90 0.13 -2.01 -3.45 132.00 123.88 2wri h PRO 53 Ca -0.43 -0.62 -0.63 0.00 -0.87 0.00 0.00 66.00 63.45 2wri h PRO 53 Cb 1.30 0.22 -0.10 0.00 0.13 0.00 0.00 31.00 32.55 2wri h PRO 53 CO 0.54 1.28 -0.49 0.12 -0.23 0.00 0.00 178.00 179.22 2wri s PHE 54 N -2.59 3.49 0.00 1.56 5.36 -1.26 -4.98 117.98 119.56 2wri s PHE 54 Ca -0.12 0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 2wri s PHE 54 Cb 0.02 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.65 2wri s PHE 54 CO 0.86 0.50 0.00 1.63 -1.46 0.00 0.00 175.22 176.75 2wri n LYS 55 N 2.78 0.00 0.00 10.12 4.01 -1.26 -4.85 118.16 128.96 2wri n LYS 55 Ca -0.18 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.62 2wri n LYS 55 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.05 2wri n LYS 55 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2wri n HIS 56 N 0.00 0.00 0.07 2.13 8.25 -1.26 -5.04 115.22 119.37 2wri n HIS 56 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wri n HIS 56 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wri n HIS 56 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2wri n LYS 57 N 0.00 0.01 0.00 -0.41 3.00 -1.26 -4.26 118.16 115.23 2wri n LYS 57 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 2wri n LYS 57 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 35.03 33.25 2wri n LYS 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2wri n ASP 58 N -1.18 0.17 -0.62 3.14 8.00 -1.26 -4.90 116.55 119.91 2wri n ASP 58 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2wri n ASP 58 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2wri n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2wri n SER 59 N 0.00 -1.22 0.00 -2.24 2.88 -1.26 -4.65 113.62 107.13 2wri n SER 59 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2wri n SER 59 Cb 0.00 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2wri n SER 59 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wri n ARG 60 N 1.10 3.52 0.00 -1.46 1.74 -1.26 -3.29 116.66 117.00 2wri n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wri n ARG 60 Cb 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.46 2wri n ARG 60 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2wri n GLU 61 N 0.00 0.00 -4.33 5.56 2.13 -0.92 -4.47 120.64 118.61 2wri n GLU 61 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2wri n GLU 61 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 2wri n GLU 61 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2wri s HIS 62 N 0.00 2.72 0.14 4.31 -3.43 -1.26 -3.96 115.29 113.81 2wri s HIS 62 Ca 0.00 -0.16 -0.01 0.00 -0.80 0.00 0.00 55.06 54.09 2wri s HIS 62 Cb 0.00 -1.46 -0.04 0.00 -1.43 0.00 0.00 32.58 29.65 2wri s HIS 62 CO 0.00 0.39 0.07 -0.59 -2.00 0.00 0.00 174.74 172.61 2wri s PHE 63 N -1.13 0.91 0.00 0.38 -0.00 -0.92 -4.97 117.98 112.26 2wri s PHE 63 Ca 0.19 -1.25 0.00 0.00 -0.00 0.00 0.00 56.93 55.87 2wri s PHE 63 Cb -0.11 -0.50 0.00 0.00 -0.00 0.00 0.00 43.02 42.41 2wri s PHE 63 CO 0.11 -0.53 0.00 -0.85 -0.00 0.00 0.00 175.22 173.95 2wri n GLU 64 N -0.12 2.46 -3.28 1.99 0.28 -1.26 -0.65 120.64 120.06 2wri n GLU 64 Ca -0.04 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.89 2wri n GLU 64 Cb 0.64 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.47 2wri n GLU 64 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2wri s LEU 65 N 0.00 -0.88 0.01 -1.84 2.96 0.12 -4.94 118.68 114.11 2wri s LEU 65 Ca 0.00 -0.86 -0.26 0.00 -0.22 0.00 0.00 54.13 52.79 2wri s LEU 65 Cb 0.00 1.30 -0.05 0.00 0.50 0.00 0.00 46.19 47.95 2wri s LEU 65 CO 0.00 -0.26 0.81 -0.13 -1.32 0.00 0.00 176.35 175.45 2wri s ARG 66 N 1.97 4.51 -0.64 1.98 0.52 -1.26 -2.69 118.95 123.34 2wri s ARG 66 Ca 0.14 1.12 -0.08 0.00 -0.52 0.00 0.00 55.73 56.39 2wri s ARG 66 Cb -0.10 -3.40 0.17 0.00 0.52 0.00 0.00 34.95 32.13 2wri s ARG 66 CO -0.13 0.16 0.51 0.99 0.02 0.00 0.00 175.30 176.85 2wri s THR 67 N 0.37 4.43 0.46 0.02 2.01 -0.75 -4.36 115.64 117.81 2wri s THR 67 Ca 0.42 -2.47 -0.23 0.00 0.31 0.00 0.00 61.69 59.72 2wri s THR 67 Cb -0.20 -3.84 -0.08 0.00 0.01 0.00 0.00 72.50 68.39 2wri s THR 67 CO 0.23 -0.89 1.12 -1.00 -0.69 0.00 0.00 174.62 173.39 2wri s HIS 68 N 0.42 2.96 0.04 4.92 0.09 0.48 -2.64 115.29 121.56 2wri s HIS 68 Ca 0.14 1.57 0.07 0.00 -0.00 0.00 0.00 55.06 56.83 2wri s HIS 68 Cb -0.19 -3.28 -0.02 0.00 -0.00 0.00 0.00 32.58 29.08 2wri s HIS 68 CO -0.04 -1.25 -0.19 -0.80 -0.00 0.00 0.00 174.74 172.46 2wri s ASN 69 N -1.50 2.25 -0.22 1.40 0.01 -1.26 -2.51 114.94 113.10 2wri s ASN 69 Ca 0.63 -0.51 -0.12 0.00 -0.71 0.00 0.00 52.86 52.16 2wri s ASN 69 Cb -0.25 -0.18 0.07 0.00 0.41 0.00 0.00 41.25 41.30 2wri s ASN 69 CO 0.31 0.12 0.53 -0.13 -1.51 0.00 0.00 177.10 176.43 2wri s ARG 70 N -1.17 0.52 0.14 -0.60 0.52 -0.56 -3.08 118.95 114.71 2wri s ARG 70 Ca 0.06 1.02 0.10 0.00 -0.52 0.00 0.00 55.73 56.39 2wri s ARG 70 Cb -0.09 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 2wri s ARG 70 CO 0.02 -0.17 -0.19 -1.17 0.02 0.00 0.00 175.30 173.81 2wri s LEU 71 N 1.70 2.65 -0.14 2.53 2.96 0.24 -1.44 118.68 127.18 2wri s LEU 71 Ca -0.09 -0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 53.09 2wri s LEU 71 Cb -0.08 -1.47 0.04 0.00 0.50 0.00 0.00 46.19 45.18 2wri s LEU 71 CO -0.16 0.16 0.35 -0.69 -1.32 0.00 0.00 176.35 174.70 2wri s VAL 72 N -1.26 -0.01 0.04 1.68 1.01 -1.14 0.18 120.40 120.90 2wri s VAL 72 Ca 0.19 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.29 2wri s VAL 72 Cb -0.10 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2wri s VAL 72 CO 0.10 0.01 -0.26 -1.81 0.00 0.00 0.00 175.10 173.14 2wri s ASP 73 N 0.50 3.16 -0.36 3.32 1.01 -1.25 -1.81 116.67 121.23 2wri s ASP 73 Ca -0.03 -0.57 -0.04 0.00 0.71 0.00 0.00 52.55 52.62 2wri s ASP 73 Cb -0.04 -0.30 0.07 0.00 1.01 0.00 0.00 42.92 43.66 2wri s ASP 73 CO -0.03 0.27 0.13 0.27 0.21 0.00 0.00 175.17 176.02 2wri s ILE 74 N -0.78 3.44 0.00 0.77 -4.36 -1.05 -0.93 121.20 118.29 2wri s ILE 74 Ca 0.12 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 2wri s ILE 74 Cb -0.10 -3.13 0.00 0.00 1.25 0.00 0.00 42.46 40.48 2wri s ILE 74 CO 0.02 -0.39 0.37 2.30 0.24 0.00 0.00 174.94 177.48 2wri n ILE 75 N 4.70 0.00 -4.51 8.37 -5.35 -0.84 0.11 119.36 121.84 2wri n ILE 75 Ca -0.09 0.68 -0.33 0.00 -0.27 0.00 0.00 62.75 62.74 2wri n ILE 75 Cb 0.43 -0.99 -0.14 0.00 -1.74 0.00 0.00 39.64 37.20 2wri n ILE 75 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2wri s ASN 76 N -2.08 4.20 -0.37 7.28 2.47 -1.26 0.20 114.94 125.37 2wri s ASN 76 Ca 0.00 -0.31 -0.27 0.00 0.42 0.00 0.00 52.86 52.70 2wri s ASN 76 Cb 0.00 -1.67 -0.05 0.00 -1.45 0.00 0.00 41.25 38.08 2wri s ASN 76 CO 0.00 0.12 2.19 -2.16 -3.72 0.00 0.00 177.10 173.53 2wri s PRO 77 N 0.61 2.75 0.31 0.43 0.04 -1.26 -4.29 135.00 133.59 2wri s PRO 77 Ca -0.06 1.58 0.06 0.00 0.04 0.00 0.00 61.00 62.63 2wri s PRO 77 Cb -0.15 -4.42 -0.02 0.00 0.04 0.00 0.00 34.50 29.95 2wri s PRO 77 CO 0.03 -2.54 0.42 -0.80 0.04 0.00 0.00 177.00 174.15 2wri s ASN 78 N 9.32 6.02 -0.09 6.66 0.01 -1.26 -5.02 114.94 130.58 2wri s ASN 78 Ca 0.93 -0.13 0.06 0.00 -0.71 0.00 0.00 52.86 53.01 2wri s ASN 78 Cb -0.24 -1.40 -0.24 0.00 0.41 0.00 0.00 41.25 39.79 2wri s ASN 78 CO 0.30 -0.32 0.47 0.54 -1.51 0.00 0.00 177.10 176.58 2wri n ARG 79 N -1.55 0.68 0.20 -0.60 5.12 -1.26 -3.19 116.66 116.05 2wri n ARG 79 Ca -0.03 0.25 0.14 0.00 -1.93 0.00 0.00 57.85 56.28 2wri n ARG 79 Cb 0.58 -1.73 0.70 0.00 -1.16 0.00 0.00 32.46 30.85 2wri n ARG 79 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2wri h LYS 80 N 0.02 0.00 0.00 5.56 3.64 -1.98 -1.02 116.57 122.79 2wri h LYS 80 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2wri h LYS 80 Cb 2.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 2wri h LYS 80 CO 0.07 0.00 -0.09 1.79 -2.27 0.00 0.00 179.45 178.95 2wri h THR 81 N 0.00 0.00 -0.03 1.00 1.35 -1.63 -3.16 112.91 110.44 2wri h THR 81 Ca 0.00 -0.42 0.01 0.00 -0.55 0.00 0.00 66.41 65.45 2wri h THR 81 Cb 0.10 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.52 2wri h THR 81 CO 0.00 0.00 0.57 0.40 -0.25 0.00 0.00 175.52 176.24 2wri h ILE 82 N -0.42 0.01 0.00 6.82 1.08 -1.47 -2.30 117.51 121.23 2wri h ILE 82 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2wri h ILE 82 Cb 0.09 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 2wri h ILE 82 CO 0.00 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 178.67 2wri n GLU 83 N -2.80 0.00 0.00 2.37 2.13 -0.41 -3.22 120.64 118.72 2wri n GLU 83 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2wri n GLU 83 Cb 0.61 -0.16 0.00 0.00 0.27 0.00 0.00 31.44 32.16 2wri n GLU 83 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2wri n GLN 84 N 0.00 0.00 -0.21 5.31 6.02 -1.02 -0.46 117.38 127.02 2wri n GLN 84 Ca 0.00 0.21 0.26 0.00 -0.01 0.00 0.00 57.00 57.46 2wri n GLN 84 Cb 0.00 -0.54 0.40 0.00 1.02 0.00 0.00 30.24 31.12 2wri n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wri n LEU 85 N -0.52 0.00 0.15 1.08 4.77 -0.90 0.63 117.00 122.21 2wri n LEU 85 Ca 0.00 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 2wri n LEU 85 Cb 0.00 -0.24 0.44 0.00 -2.33 0.00 0.00 43.42 41.29 2wri n LEU 85 CO 0.00 -0.70 0.88 -0.03 -1.33 0.00 0.00 177.39 176.21 2wri h MET 86 N 0.00 0.00 0.00 3.23 4.05 -0.74 -3.34 114.93 118.14 2wri h MET 86 Ca 0.46 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.77 2wri h MET 86 Cb 2.70 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 33.30 2wri h MET 86 CO -0.00 0.00 -0.63 0.25 0.23 0.00 0.00 176.91 176.76 2wri n THR 87 N -2.49 0.00 -2.62 -0.77 -2.24 0.20 -4.90 114.28 101.47 2wri n THR 87 Ca 0.04 -0.44 -0.33 0.00 -2.27 0.00 0.00 64.05 61.05 2wri n THR 87 Cb 0.36 0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 69.25 2wri n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2wri n LEU 88 N 0.22 5.84 -4.71 3.22 7.94 -0.78 -5.03 117.00 123.70 2wri n LEU 88 Ca -0.04 -5.39 -0.40 0.00 -1.11 0.00 0.00 56.01 49.07 2wri n LEU 88 Cb 0.87 -0.80 -0.05 0.00 0.53 0.00 0.00 43.42 43.98 2wri n LEU 88 CO -0.05 2.16 0.37 -1.81 -1.11 0.00 0.00 177.39 176.95 2wri s ASP 89 N -2.50 6.90 -0.28 1.96 1.01 -1.26 -4.91 116.67 117.59 2wri s ASP 89 Ca 0.46 1.08 0.21 0.00 0.71 0.00 0.00 52.55 55.02 2wri s ASP 89 Cb 0.30 -2.39 0.49 0.00 1.01 0.00 0.00 42.92 42.33 2wri s ASP 89 CO -0.19 -0.14 1.15 -0.11 0.21 0.00 0.00 175.17 176.10 2wri n LEU 90 N 4.02 1.17 -4.34 1.23 7.94 -1.26 -5.07 117.00 120.68 2wri n LEU 90 Ca -0.02 -3.10 -0.44 0.00 -1.11 0.00 0.00 56.01 51.34 2wri n LEU 90 Cb 0.51 0.43 -0.07 0.00 0.53 0.00 0.00 43.42 44.81 2wri n LEU 90 CO 0.46 1.16 0.04 -2.16 -1.11 0.00 0.00 177.39 175.78 2wri s PRO 91 N -3.25 2.90 0.05 1.96 0.04 -1.26 -4.90 135.00 130.53 2wri s PRO 91 Ca 0.25 -1.48 -0.25 0.00 0.04 0.00 0.00 61.00 59.56 2wri s PRO 91 Cb 0.35 -4.11 -0.13 0.00 0.04 0.00 0.00 34.50 30.65 2wri s PRO 91 CO -0.04 -1.10 1.38 0.00 0.04 0.00 0.00 177.00 177.27 2wri h THR 92 N 5.86 0.00 -0.92 1.26 1.03 -1.97 -3.35 112.91 114.81 2wri h THR 92 Ca -0.28 0.00 -0.38 0.00 -0.01 0.00 0.00 66.41 65.74 2wri h THR 92 Cb 1.10 0.00 -0.41 0.00 -1.07 0.00 0.00 68.15 67.78 2wri h THR 92 CO 0.90 0.00 -1.07 0.61 -0.01 0.00 0.00 175.52 175.95 2wri n GLY 93 N -1.41 2.76 3.53 2.99 0.00 -1.26 -5.08 105.19 106.71 2wri n GLY 93 Ca -0.10 -1.60 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 2wri n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wri s VAL 94 N -3.83 2.66 -0.01 1.61 1.01 -1.26 -4.61 120.40 115.97 2wri s VAL 94 Ca 0.33 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 60.06 2wri s VAL 94 Cb 0.41 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 34.31 2wri s VAL 94 CO -0.02 -0.35 0.02 -0.70 0.00 0.00 0.00 175.10 174.05 2wri s GLU 95 N -3.57 -0.03 0.14 2.72 2.56 -0.64 -4.91 118.70 114.97 2wri s GLU 95 Ca 0.31 0.14 0.10 0.00 0.00 0.00 0.00 54.97 55.52 2wri s GLU 95 Cb -0.04 -0.18 -0.04 0.00 2.00 0.00 0.00 34.13 35.87 2wri s GLU 95 CO 0.17 -0.12 -0.23 0.96 -0.56 0.00 0.00 175.26 175.47 2wri s ILE 96 N 0.79 2.07 0.08 -3.70 -0.00 -1.24 -0.06 121.20 119.14 2wri s ILE 96 Ca -0.07 -1.79 0.08 0.00 -0.00 0.00 0.00 60.65 58.87 2wri s ILE 96 Cb -0.09 -1.88 -0.03 0.00 -0.00 0.00 0.00 42.46 40.45 2wri s ILE 96 CO -0.02 -0.06 -0.20 -1.61 -0.00 0.00 0.00 174.94 173.05 2wri s GLU 97 N -2.26 1.19 -0.14 0.37 0.41 0.13 -4.89 118.70 113.51 2wri s GLU 97 Ca 0.14 -1.06 0.01 0.00 -0.41 0.00 0.00 54.97 53.65 2wri s GLU 97 Cb -0.09 -1.39 -0.00 0.00 -1.78 0.00 0.00 34.13 30.87 2wri s GLU 97 CO 0.06 0.33 -0.17 -1.50 -0.49 0.00 0.00 175.26 173.49 2wri s ILE 98 N -1.03 2.54 0.01 -1.63 1.10 -1.26 -1.26 121.20 119.66 2wri s ILE 98 Ca 0.06 -0.83 -0.14 0.00 -0.51 0.00 0.00 60.65 59.24 2wri s ILE 98 Cb -0.09 -2.05 0.02 0.00 0.15 0.00 0.00 42.46 40.49 2wri s ILE 98 CO 0.03 0.53 0.29 -0.54 -2.11 0.00 0.00 174.94 173.15 2wri s LYS 99 N 0.64 0.71 -0.43 3.50 -0.14 -0.50 -5.03 119.74 118.49 2wri s LYS 99 Ca -0.09 -0.33 0.04 0.00 -1.36 0.00 0.00 55.97 54.23 2wri s LYS 99 Cb -0.16 0.31 0.17 0.00 -1.68 0.00 0.00 37.83 36.47 2wri s LYS 99 CO 0.02 -0.21 0.40 0.99 -0.76 0.00 0.00 175.35 175.80 2wri s THR 100 N -1.82 0.11 0.00 2.17 2.01 -1.26 0.31 115.64 117.15 2wri s THR 100 Ca -0.10 -2.37 0.00 0.00 0.31 0.00 0.00 61.69 59.53 2wri s THR 100 Cb -0.04 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.43 2wri s THR 100 CO 0.01 -1.03 0.00 0.52 -0.69 0.00 0.00 174.62 173.43