#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjj n VAL 4 N 0.00 0.00 -1.22 12.58 3.14 -1.26 -4.70 118.33 126.87 1jjj n VAL 4 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1jjj n VAL 4 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 1jjj n VAL 4 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1jjj n GLN 5 N 0.00 3.30 0.00 1.45 7.27 -1.26 -3.46 117.38 124.67 1jjj n GLN 5 Ca 0.00 -1.93 0.00 0.00 0.07 0.00 0.00 57.00 55.14 1jjj n GLN 5 Cb 0.00 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.02 1jjj n GLN 5 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1jjj n GLN 6 N 3.42 0.00 0.00 3.69 6.02 -1.26 -4.90 117.38 124.34 1jjj n GLN 6 Ca 0.70 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.74 1jjj n GLN 6 Cb 0.35 -0.28 0.22 0.00 1.02 0.00 0.00 30.24 31.55 1jjj n GLN 6 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jjj n LEU 7 N -1.53 0.00 -4.67 1.08 4.77 -1.22 -4.88 117.00 110.54 1jjj n LEU 7 Ca 0.00 0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 56.00 1jjj n LEU 7 Cb 0.00 -0.31 0.16 0.00 -2.33 0.00 0.00 43.42 40.94 1jjj n LEU 7 CO 0.00 -0.22 0.64 -1.83 -1.33 0.00 0.00 177.39 174.65 1jjj s GLU 8 N -2.62 0.73 0.00 3.23 4.04 -1.26 -4.80 118.70 118.02 1jjj s GLU 8 Ca 0.08 0.79 0.00 0.00 0.04 0.00 0.00 54.97 55.88 1jjj s GLU 8 Cb 0.06 -1.75 0.00 0.00 0.02 0.00 0.00 34.13 32.46 1jjj s GLU 8 CO 0.14 -2.60 0.00 0.41 -1.84 0.00 0.00 175.26 171.38 1jjj n GLY 9 N -0.78 0.80 3.59 -3.83 0.00 -0.36 -4.89 105.19 99.72 1jjj n GLY 9 Ca 0.06 -2.27 -0.40 0.00 0.00 0.00 0.00 46.02 43.41 1jjj n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jjj s ARG 10 N -1.03 3.89 -0.27 1.61 3.52 -0.99 -0.53 118.95 125.16 1jjj s ARG 10 Ca 0.00 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 1jjj s ARG 10 Cb 0.00 -3.71 0.06 0.00 -1.56 0.00 0.00 34.95 29.74 1jjj s ARG 10 CO 0.00 -0.41 -0.09 -1.58 -0.81 0.00 0.00 175.30 172.41 1jjj s TRP 11 N 2.22 3.26 -0.20 5.12 0.52 -0.06 -0.15 118.94 129.66 1jjj s TRP 11 Ca 0.17 -2.22 -0.11 0.00 0.02 0.00 0.00 56.10 53.97 1jjj s TRP 11 Cb -0.16 -1.97 -0.05 0.00 -1.15 0.00 0.00 33.47 30.15 1jjj s TRP 11 CO 0.11 -0.86 0.15 0.50 0.02 0.00 0.00 176.95 176.87 1jjj s ARG 12 N 1.14 4.19 0.06 4.98 3.52 -0.92 -0.68 118.95 131.24 1jjj s ARG 12 Ca -0.08 -0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.04 1jjj s ARG 12 Cb -0.20 -3.43 -0.07 0.00 -1.56 0.00 0.00 34.95 29.69 1jjj s ARG 12 CO -0.04 0.28 1.52 -1.17 -0.81 0.00 0.00 175.30 175.07 1jjj s LEU 13 N 0.42 4.35 -0.03 -0.88 2.96 -1.19 -1.01 118.68 123.29 1jjj s LEU 13 Ca 0.09 2.34 -0.03 0.00 -0.22 0.00 0.00 54.13 56.31 1jjj s LEU 13 Cb -0.11 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1jjj s LEU 13 CO -0.01 -0.79 -0.08 1.33 -1.32 0.00 0.00 176.35 175.49 1jjj n VAL 14 N 4.53 0.64 -4.03 1.68 0.24 -0.51 -4.80 118.33 116.08 1jjj n VAL 14 Ca 0.14 0.05 -0.34 0.00 -2.04 0.00 0.00 64.34 62.16 1jjj n VAL 14 Cb 0.42 -1.64 -0.15 0.00 -1.47 0.00 0.00 33.84 31.00 1jjj n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jjj s ASP 15 N -5.68 3.78 -0.79 -1.34 -1.08 -1.22 -5.01 116.67 105.33 1jjj s ASP 15 Ca -0.08 -0.70 0.03 0.00 -0.52 0.00 0.00 52.55 51.27 1jjj s ASP 15 Cb 0.02 -1.59 0.28 0.00 -1.46 0.00 0.00 42.92 40.18 1jjj s ASP 15 CO 0.10 -0.05 1.06 -1.54 0.52 0.00 0.00 175.17 175.26 1jjj n SER 16 N 4.66 4.87 -4.68 -0.34 3.41 -1.26 -0.83 113.62 119.44 1jjj n SER 16 Ca -0.19 -3.49 -0.43 0.00 -0.26 0.00 0.00 58.87 54.51 1jjj n SER 16 Cb 0.49 -0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 1jjj n SER 16 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1jjj s LYS 17 N -2.82 4.37 0.00 4.33 -2.85 -1.18 -3.28 119.74 118.31 1jjj s LYS 17 Ca 0.38 1.42 0.00 0.00 -1.00 0.00 0.00 55.97 56.77 1jjj s LYS 17 Cb 0.14 -3.57 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 1jjj s LYS 17 CO 0.00 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 175.45 1jjj n GLY 18 N 3.18 1.04 0.26 0.59 0.00 -1.26 -1.20 105.19 107.80 1jjj n GLY 18 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1jjj n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jjj h PHE 19 N 0.00 0.89 -0.18 1.61 3.57 -1.77 -2.94 116.94 118.12 1jjj h PHE 19 Ca 0.00 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 1jjj h PHE 19 Cb 0.00 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1jjj h PHE 19 CO 0.00 0.97 0.08 0.22 -2.23 0.00 0.00 178.31 177.35 1jjj h ASP 20 N 0.65 0.23 -0.59 0.41 3.58 -1.94 -0.72 116.42 118.04 1jjj h ASP 20 Ca 0.08 -0.13 0.12 0.00 0.42 0.00 0.00 57.03 57.52 1jjj h ASP 20 Cb 0.82 -0.06 -0.10 0.00 1.72 0.00 0.00 39.33 41.71 1jjj h ASP 20 CO 0.07 0.30 -0.06 1.05 -2.88 0.00 0.00 179.24 177.72 1jjj h GLU 21 N 0.16 0.06 -0.60 0.28 4.11 -1.91 -0.38 114.58 116.30 1jjj h GLU 21 Ca 0.06 -0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.52 1jjj h GLU 21 Cb 0.12 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1jjj h GLU 21 CO -0.01 0.04 0.36 -0.92 0.07 0.00 0.00 179.01 178.55 1jjj h TYR 22 N 0.06 0.67 -0.58 2.06 3.20 -1.44 -1.26 116.97 119.69 1jjj h TYR 22 Ca 0.30 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 1jjj h TYR 22 Cb 0.47 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1jjj h TYR 22 CO -0.41 0.38 0.33 0.52 -1.64 0.00 0.00 178.16 177.34 1jjj h MET 23 N 0.71 0.80 -0.23 1.82 2.86 -0.86 -0.70 114.93 119.33 1jjj h MET 23 Ca 0.25 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.86 1jjj h MET 23 Cb 0.04 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.48 1jjj h MET 23 CO -0.11 0.59 -0.16 0.87 1.06 0.00 0.00 176.91 179.17 1jjj h LYS 24 N 0.78 -0.14 -0.43 1.72 6.56 -0.95 -1.46 116.57 122.65 1jjj h LYS 24 Ca 0.21 0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.71 1jjj h LYS 24 Cb 0.01 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 1jjj h LYS 24 CO -0.04 -0.09 -0.14 1.49 -2.06 0.00 0.00 179.45 178.62 1jjj h GLU 25 N -0.14 0.80 -0.88 3.15 4.57 -1.13 -2.72 114.58 118.22 1jjj h GLU 25 Ca 0.13 -0.28 0.10 0.00 -1.18 0.00 0.00 59.36 58.13 1jjj h GLU 25 Cb 0.34 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.81 1jjj h GLU 25 CO -0.32 0.89 0.57 -0.07 -1.18 0.00 0.00 179.01 178.90 1jjj h LEU 26 N 0.71 0.78 0.00 1.64 3.38 -1.18 -3.48 115.31 117.16 1jjj h LEU 26 Ca 0.12 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jjj h LEU 26 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1jjj h LEU 26 CO 0.04 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1jjj n GLY 27 N -1.41 0.89 3.39 0.83 0.00 -0.94 -5.10 105.19 102.85 1jjj n GLY 27 Ca 0.15 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1jjj n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jjj s VAL 28 N -1.97 3.55 0.85 1.61 1.01 -0.59 -5.04 120.40 119.82 1jjj s VAL 28 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1jjj s VAL 28 Cb 0.00 -2.58 0.10 0.00 0.00 0.00 0.00 36.38 33.90 1jjj s VAL 28 CO 0.00 0.46 1.09 -0.83 0.00 0.00 0.00 175.10 175.82 1jjj s GLY 29 N 0.91 1.65 0.19 4.51 0.00 -1.26 -4.68 107.32 108.65 1jjj s GLY 29 Ca -0.01 0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.75 1jjj s GLY 29 CO 0.01 0.58 1.81 -2.22 0.00 0.00 0.00 173.10 173.27 1jjj h ILE 30 N -1.42 1.00 -0.63 0.90 5.03 -2.00 0.11 117.51 120.49 1jjj h ILE 30 Ca -0.46 -0.21 0.03 0.00 -0.12 0.00 0.00 64.86 64.09 1jjj h ILE 30 Cb 1.26 0.32 -0.04 0.00 -3.03 0.00 0.00 36.82 35.32 1jjj h ILE 30 CO 0.52 0.11 0.39 0.00 -0.68 0.00 0.00 178.15 178.49 1jjj h ALA 31 N 1.29 0.82 -0.41 1.87 0.00 -1.99 -1.50 119.26 119.34 1jjj h ALA 31 Ca 0.25 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1jjj h ALA 31 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jjj h ALA 31 CO -0.15 0.15 -0.20 -0.07 0.00 0.00 0.00 179.25 178.98 1jjj h LEU 32 N 0.77 0.82 -0.15 0.00 3.38 -1.80 -1.07 115.31 117.26 1jjj h LEU 32 Ca 0.25 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1jjj h LEU 32 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1jjj h LEU 32 CO -0.10 1.00 0.00 0.03 0.09 0.00 0.00 178.44 179.46 1jjj h ARG 33 N 0.71 0.05 -0.28 1.13 3.08 -0.79 -0.10 114.38 118.18 1jjj h ARG 33 Ca 0.10 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1jjj h ARG 33 Cb 0.72 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.68 1jjj h ARG 33 CO 0.06 0.03 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.58 1jjj h LYS 34 N 0.05 -0.17 -0.01 0.04 3.64 -1.28 -1.11 116.57 117.74 1jjj h LYS 34 Ca 0.07 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1jjj h LYS 34 Cb 0.08 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1jjj h LYS 34 CO -0.12 -0.11 -0.36 1.98 -2.27 0.00 0.00 179.45 178.57 1jjj h MET 35 N -0.17 -0.49 -0.80 1.90 4.05 -1.10 -1.19 114.93 117.12 1jjj h MET 35 Ca 0.15 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.68 1jjj h MET 35 Cb 0.40 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.25 1jjj h MET 35 CO -0.38 -0.33 0.47 0.78 0.23 0.00 0.00 176.91 177.68 1jjj h GLY 36 N -0.51 1.21 0.88 1.39 0.00 -0.99 -0.47 103.07 104.58 1jjj h GLY 36 Ca 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1jjj h GLY 36 CO -0.29 0.20 0.05 0.00 0.00 0.00 0.00 176.54 176.50 1jjj h ALA 37 N 1.40 0.38 0.00 3.60 0.00 -1.17 -3.34 119.26 120.13 1jjj h ALA 37 Ca 0.36 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1jjj h ALA 37 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jjj h ALA 37 CO -0.20 0.06 -0.82 0.00 0.00 0.00 0.00 179.25 178.29 1jjj h MET 38 N 0.30 0.00 -6.27 0.00 3.00 -1.18 -3.45 114.93 107.33 1jjj h MET 38 Ca 0.09 0.00 -0.55 0.00 0.00 0.00 0.00 59.70 59.23 1jjj h MET 38 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 31.90 1jjj h MET 38 CO 0.00 0.82 0.84 0.00 0.00 0.00 0.00 176.91 178.58 1jjj s ALA 39 N -3.08 3.59 -0.62 -3.00 0.00 -0.19 -5.03 121.76 113.43 1jjj s ALA 39 Ca 0.00 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 52.58 1jjj s ALA 39 Cb 0.11 -3.60 0.16 0.00 0.00 0.00 0.00 23.12 19.80 1jjj s ALA 39 CO 0.79 -1.00 0.47 -1.59 0.00 0.00 0.00 175.76 174.43 1jjj s LYS 40 N 2.87 2.70 0.32 0.00 0.00 -1.26 -4.90 119.74 119.47 1jjj s LYS 40 Ca 0.59 -2.35 -0.27 0.00 0.00 0.00 0.00 55.97 53.95 1jjj s LYS 40 Cb -0.26 -3.88 -0.09 0.00 0.00 0.00 0.00 37.83 33.59 1jjj s LYS 40 CO 0.22 -1.19 1.04 -1.25 0.00 0.00 0.00 175.35 174.17 1jjj s PRO 41 N 0.29 4.49 -0.64 1.78 0.04 -1.26 -4.60 135.00 135.10 1jjj s PRO 41 Ca 0.15 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 1jjj s PRO 41 Cb -0.19 -2.93 0.07 0.00 0.04 0.00 0.00 34.50 31.49 1jjj s PRO 41 CO -0.04 0.13 0.94 -0.51 0.04 0.00 0.00 177.00 177.56 1jjj s ASP 42 N -1.24 6.19 -0.52 6.66 1.01 -0.26 -3.20 116.67 125.32 1jjj s ASP 42 Ca 0.49 -0.95 -0.19 0.00 0.71 0.00 0.00 52.55 52.61 1jjj s ASP 42 Cb -0.26 -2.41 0.06 0.00 1.01 0.00 0.00 42.92 41.32 1jjj s ASP 42 CO 0.33 -1.40 0.64 0.00 0.21 0.00 0.00 175.17 174.96 1jjj s ILE 44 N 2.66 4.10 -0.29 0.00 1.01 0.01 -0.88 121.20 127.81 1jjj s ILE 44 Ca 0.15 0.83 -0.09 0.00 0.00 0.00 0.00 60.65 61.53 1jjj s ILE 44 Cb -0.20 -4.69 -0.02 0.00 0.01 0.00 0.00 42.46 37.57 1jjj s ILE 44 CO 0.11 -1.28 0.14 -0.63 0.00 0.00 0.00 174.94 173.28 1jjj s ILE 45 N 4.74 4.66 -0.15 2.92 1.01 0.31 -1.06 121.20 133.64 1jjj s ILE 45 Ca 0.41 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1jjj s ILE 45 Cb -0.08 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.10 1jjj s ILE 45 CO 0.25 0.18 -0.20 0.28 0.00 0.00 0.00 174.94 175.44 1jjj s THR 46 N 1.64 2.18 -0.32 2.92 -1.32 -0.74 -1.23 115.64 118.78 1jjj s THR 46 Ca 0.06 -0.93 0.04 0.00 -1.21 0.00 0.00 61.69 59.64 1jjj s THR 46 Cb -0.16 -1.89 0.09 0.00 -1.51 0.00 0.00 72.50 69.03 1jjj s THR 46 CO 0.06 0.54 0.01 0.00 -2.21 0.00 0.00 174.62 173.02 1jjj n ASP 48 N 4.32 4.77 0.00 0.00 2.03 -0.14 -4.93 116.55 122.60 1jjj n ASP 48 Ca -0.01 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.32 1jjj n ASP 48 Cb 0.42 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 1jjj n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 49 N 3.33 0.37 0.13 0.27 0.00 -1.26 -1.34 105.19 106.69 1jjj n GLY 49 Ca 0.47 0.72 0.05 0.00 0.00 0.00 0.00 46.02 47.25 1jjj n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjj h LYS 50 N 0.00 0.00 -4.47 1.61 1.79 -1.98 -3.47 116.57 110.04 1jjj h LYS 50 Ca 0.00 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.75 1jjj h LYS 50 Cb 0.00 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 30.41 1jjj h LYS 50 CO 0.00 0.25 -0.44 -0.80 -1.08 0.00 0.00 179.45 177.38 1jjj s ASN 51 N -5.94 5.88 -0.15 0.86 0.01 -0.45 -1.12 114.94 114.03 1jjj s ASN 51 Ca 0.01 -1.17 0.01 0.00 -0.71 0.00 0.00 52.86 50.99 1jjj s ASN 51 Cb 0.08 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.66 1jjj s ASN 51 CO 0.77 -0.49 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.48 1jjj s LEU 52 N 1.57 2.40 -0.17 0.60 0.20 -0.57 -0.97 118.68 121.74 1jjj s LEU 52 Ca 0.03 -0.50 -0.02 0.00 0.69 0.00 0.00 54.13 54.34 1jjj s LEU 52 Cb -0.21 -1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 44.00 1jjj s LEU 52 CO 0.06 0.09 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.22 1jjj s THR 53 N 0.79 3.13 -0.34 3.68 2.01 -0.55 -1.37 115.64 122.99 1jjj s THR 53 Ca -0.06 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1jjj s THR 53 Cb -0.15 -2.36 0.05 0.00 0.01 0.00 0.00 72.50 70.05 1jjj s THR 53 CO -0.00 0.49 0.11 -0.63 -0.69 0.00 0.00 174.62 173.89 1jjj s ILE 54 N 0.81 3.67 -0.74 1.82 1.01 -0.20 -1.79 121.20 125.78 1jjj s ILE 54 Ca -0.04 -1.24 -0.07 0.00 0.00 0.00 0.00 60.65 59.30 1jjj s ILE 54 Cb -0.15 -3.12 0.19 0.00 0.01 0.00 0.00 42.46 39.39 1jjj s ILE 54 CO 0.01 -0.22 0.62 -0.75 0.00 0.00 0.00 174.94 174.59 1jjj s LYS 55 N 1.37 3.08 -0.62 2.79 2.20 -0.22 -1.57 119.74 126.77 1jjj s LYS 55 Ca -0.01 -2.60 -0.25 0.00 -0.36 0.00 0.00 55.97 52.75 1jjj s LYS 55 Cb -0.20 -4.04 0.04 0.00 -1.51 0.00 0.00 37.83 32.12 1jjj s LYS 55 CO 0.02 -1.23 1.04 0.99 -0.36 0.00 0.00 175.35 175.81 1jjj s THR 56 N -0.14 4.20 -0.23 3.43 2.01 -0.35 -0.81 115.64 123.76 1jjj s THR 56 Ca 0.19 0.24 -0.09 0.00 0.31 0.00 0.00 61.69 62.33 1jjj s THR 56 Cb -0.15 -4.67 -0.04 0.00 0.01 0.00 0.00 72.50 67.65 1jjj s THR 56 CO -0.06 -1.36 0.12 -1.61 -0.69 0.00 0.00 174.62 171.01 1jjj s GLU 57 N 4.44 3.94 -0.09 4.92 0.41 -0.74 -1.02 118.70 130.57 1jjj s GLU 57 Ca 0.31 -0.34 -0.09 0.00 -0.41 0.00 0.00 54.97 54.44 1jjj s GLU 57 Cb -0.12 -3.41 0.02 0.00 -1.78 0.00 0.00 34.13 28.84 1jjj s GLU 57 CO 0.17 0.04 0.26 0.45 -0.49 0.00 0.00 175.26 175.69 1jjj s SER 58 N 1.05 -0.25 0.54 -0.19 0.15 -1.25 -1.10 113.70 112.65 1jjj s SER 58 Ca 0.06 0.45 0.25 0.00 0.70 0.00 0.00 55.95 57.41 1jjj s SER 58 Cb -0.14 0.50 1.41 0.00 -1.71 0.00 0.00 66.02 66.08 1jjj s SER 58 CO 0.04 -0.13 2.02 0.71 1.20 0.00 0.00 173.24 177.07 1jjj h THR 59 N 4.65 0.73 -0.02 6.45 1.35 -1.98 -2.71 112.91 121.38 1jjj h THR 59 Ca -0.26 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.55 1jjj h THR 59 Cb 1.19 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1jjj h THR 59 CO 0.35 0.00 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.39 1jjj h LEU 60 N 0.00 0.17 -6.14 3.87 3.38 -1.98 -3.46 115.31 111.15 1jjj h LEU 60 Ca 0.21 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1jjj h LEU 60 Cb 0.88 -0.05 -0.24 0.00 0.09 0.00 0.00 40.66 41.34 1jjj h LEU 60 CO -0.00 0.86 -0.35 -0.75 0.09 0.00 0.00 178.44 178.28 1jjj s LYS 61 N -3.37 0.50 0.15 1.13 2.47 -1.05 -5.14 119.74 114.43 1jjj s LYS 61 Ca -0.16 0.78 -0.30 0.00 -1.56 0.00 0.00 55.97 54.73 1jjj s LYS 61 Cb 0.01 0.20 -0.07 0.00 -1.46 0.00 0.00 37.83 36.51 1jjj s LYS 61 CO 0.72 -0.69 1.05 0.99 0.16 0.00 0.00 175.35 177.57 1jjj s THR 62 N 2.75 4.12 -0.08 3.43 2.01 -1.05 -3.83 115.64 123.00 1jjj s THR 62 Ca 0.17 1.80 -0.01 0.00 0.31 0.00 0.00 61.69 63.96 1jjj s THR 62 Cb -0.14 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.24 1jjj s THR 62 CO -0.21 0.29 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.12 1jjj s THR 63 N -0.13 0.48 -0.09 -0.82 2.01 -0.19 -4.97 115.64 111.93 1jjj s THR 63 Ca 0.48 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.56 1jjj s THR 63 Cb -0.27 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.64 1jjj s THR 63 CO 0.33 0.27 -0.17 -1.58 -0.69 0.00 0.00 174.62 172.78 1jjj s GLN 64 N 1.88 2.31 0.02 4.92 -0.44 -1.26 -1.21 119.66 125.88 1jjj s GLN 64 Ca 0.04 -0.62 -0.10 0.00 -2.50 0.00 0.00 55.36 52.18 1jjj s GLN 64 Cb -0.12 -1.84 0.01 0.00 -1.64 0.00 0.00 33.01 29.41 1jjj s GLN 64 CO -0.05 0.06 0.21 -0.59 0.50 0.00 0.00 175.29 175.42 1jjj s PHE 65 N 0.62 -0.01 -0.09 1.67 -0.12 -0.61 -5.02 117.98 114.44 1jjj s PHE 65 Ca -0.14 -0.11 -0.02 0.00 -0.05 0.00 0.00 56.93 56.61 1jjj s PHE 65 Cb -0.16 0.00 0.03 0.00 -0.63 0.00 0.00 43.02 42.26 1jjj s PHE 65 CO 0.04 -0.39 0.02 -1.54 -0.05 0.00 0.00 175.22 173.30 1jjj s SER 66 N -1.75 1.75 0.03 1.98 1.04 -1.26 -1.04 113.70 114.45 1jjj s SER 66 Ca -0.09 -0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.06 1jjj s SER 66 Cb -0.04 -0.40 -0.00 0.00 0.10 0.00 0.00 66.02 65.68 1jjj s SER 66 CO -0.01 -0.23 0.15 0.00 0.98 0.00 0.00 173.24 174.14 1jjj s THR 68 N -2.34 4.61 -0.16 0.00 2.01 -1.26 -1.52 115.64 116.97 1jjj s THR 68 Ca -0.07 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.74 1jjj s THR 68 Cb -0.02 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1jjj s THR 68 CO -0.03 -0.14 1.73 -0.76 -0.69 0.00 0.00 174.62 174.73 1jjj s LEU 69 N -2.84 3.97 0.00 4.42 1.02 -0.27 -1.45 118.68 123.54 1jjj s LEU 69 Ca 0.54 1.87 0.00 0.00 0.02 0.00 0.00 54.13 56.55 1jjj s LEU 69 Cb -0.11 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.57 1jjj s LEU 69 CO 0.17 -1.26 0.00 0.61 0.02 0.00 0.00 176.35 175.90 1jjj n GLY 70 N 4.68 2.90 3.84 -3.19 0.00 0.49 -5.00 105.19 108.91 1jjj n GLY 70 Ca 0.20 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1jjj n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jjj s GLU 71 N 0.00 4.10 0.12 1.61 2.12 -0.53 -4.81 118.70 121.31 1jjj s GLU 71 Ca 0.00 0.89 0.06 0.00 0.36 0.00 0.00 54.97 56.28 1jjj s GLU 71 Cb 0.00 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 1jjj s GLU 71 CO 0.00 0.05 -0.01 -1.59 -0.54 0.00 0.00 175.26 173.17 1jjj s LYS 72 N -3.13 2.46 0.18 4.30 -2.85 -1.26 -2.43 119.74 117.01 1jjj s LYS 72 Ca 0.58 -0.93 -0.00 0.00 -1.00 0.00 0.00 55.97 54.62 1jjj s LYS 72 Cb -0.10 -2.46 -0.04 0.00 -2.06 0.00 0.00 37.83 33.17 1jjj s LYS 72 CO 0.16 0.51 0.07 -0.59 0.10 0.00 0.00 175.35 175.60 1jjj s PHE 73 N -1.41 1.12 -0.64 1.78 -0.71 -0.96 -4.96 117.98 112.20 1jjj s PHE 73 Ca 0.26 -1.22 -0.26 0.00 -1.04 0.00 0.00 56.93 54.66 1jjj s PHE 73 Cb -0.11 -0.61 0.04 0.00 -1.21 0.00 0.00 43.02 41.13 1jjj s PHE 73 CO 0.18 -0.46 1.13 -2.00 -1.34 0.00 0.00 175.22 172.73 1jjj s GLU 74 N -4.05 3.30 -0.63 1.99 -6.30 -1.26 -1.68 118.70 110.06 1jjj s GLU 74 Ca 0.30 -0.21 -0.20 0.00 -2.50 0.00 0.00 54.97 52.36 1jjj s GLU 74 Cb 0.07 -4.12 0.09 0.00 0.00 0.00 0.00 34.13 30.18 1jjj s GLU 74 CO 0.07 -1.83 0.82 -2.00 0.02 0.00 0.00 175.26 172.34 1jjj s GLU 75 N 4.87 3.09 -0.59 4.30 2.12 0.27 -4.95 118.70 127.81 1jjj s GLU 75 Ca 0.34 -1.16 -0.28 0.00 0.36 0.00 0.00 54.97 54.23 1jjj s GLU 75 Cb -0.10 -4.27 0.02 0.00 0.26 0.00 0.00 34.13 30.04 1jjj s GLU 75 CO 0.18 -1.66 1.28 0.99 -0.54 0.00 0.00 175.26 175.51 1jjj s THR 76 N 3.20 3.91 1.25 -1.70 2.01 -1.26 -1.23 115.64 121.82 1jjj s THR 76 Ca 0.16 0.77 -0.19 0.00 0.31 0.00 0.00 61.69 62.75 1jjj s THR 76 Cb -0.21 -4.66 0.30 0.00 0.01 0.00 0.00 72.50 67.95 1jjj s THR 76 CO 0.07 -1.35 1.04 0.42 -0.69 0.00 0.00 174.62 174.11 1jjj s THR 77 N 5.40 1.57 0.30 -0.82 -4.23 -0.73 -4.81 115.64 112.33 1jjj s THR 77 Ca 0.45 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.03 1jjj s THR 77 Cb -0.09 -2.30 0.30 0.00 1.34 0.00 0.00 72.50 71.75 1jjj s THR 77 CO 0.24 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 176.05 1jjj h ALA 78 N -2.80 1.63 -0.23 3.99 0.00 -1.95 -2.28 119.26 117.61 1jjj h ALA 78 Ca -0.48 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1jjj h ALA 78 Cb 1.32 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1jjj h ALA 78 CO 0.37 -0.26 -0.13 -0.44 0.00 0.00 0.00 179.25 178.79 1jjj h ASP 79 N 0.54 0.52 0.00 0.00 5.19 -1.97 -3.49 116.42 117.21 1jjj h ASP 79 Ca 0.60 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1jjj h ASP 79 Cb 1.10 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1jjj h ASP 79 CO -0.48 0.83 0.00 0.61 -3.12 0.00 0.00 179.24 177.08 1jjj n GLY 80 N 0.01 0.95 3.73 2.75 0.00 -0.86 -5.15 105.19 106.63 1jjj n GLY 80 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1jjj n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjj s ARG 81 N 0.00 4.20 -0.42 1.61 0.52 -1.26 -4.60 118.95 118.99 1jjj s ARG 81 Ca 0.00 2.42 -0.29 0.00 -0.52 0.00 0.00 55.73 57.34 1jjj s ARG 81 Cb 0.00 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.38 1jjj s ARG 81 CO 0.00 -0.60 1.12 0.15 0.02 0.00 0.00 175.30 175.99 1jjj s LYS 82 N 0.59 3.85 -0.12 3.54 -0.14 -1.26 -1.77 119.74 124.42 1jjj s LYS 82 Ca 0.68 0.76 0.02 0.00 -1.36 0.00 0.00 55.97 56.06 1jjj s LYS 82 Cb -0.45 -3.85 0.02 0.00 -1.68 0.00 0.00 37.83 31.87 1jjj s LYS 82 CO 0.36 -1.21 -0.17 0.95 -0.76 0.00 0.00 175.35 174.53 1jjj s THR 83 N 4.17 1.65 -0.81 2.17 -4.23 -0.36 -4.76 115.64 113.47 1jjj s THR 83 Ca 0.47 -0.73 -0.24 0.00 -1.18 0.00 0.00 61.69 60.02 1jjj s THR 83 Cb -0.09 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.30 1jjj s THR 83 CO 0.26 0.47 1.22 -1.10 -0.54 0.00 0.00 174.62 174.93 1jjj s GLN 84 N 1.04 3.32 -0.34 3.99 -1.52 -0.14 -0.56 119.66 125.45 1jjj s GLN 84 Ca -0.04 -0.82 -0.15 0.00 -1.95 0.00 0.00 55.36 52.39 1jjj s GLN 84 Cb -0.15 -4.58 -0.01 0.00 -0.22 0.00 0.00 33.01 28.05 1jjj s GLN 84 CO -0.04 -2.03 0.38 0.99 -0.25 0.00 0.00 175.29 174.34 1jjj s THR 85 N 4.70 5.15 -0.17 -0.19 2.01 -0.68 -1.96 115.64 124.50 1jjj s THR 85 Ca 0.34 0.11 -0.20 0.00 0.31 0.00 0.00 61.69 62.25 1jjj s THR 85 Cb -0.08 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1jjj s THR 85 CO 0.04 -0.09 0.60 0.54 -0.69 0.00 0.00 174.62 175.02 1jjj s VAL 86 N 2.06 5.06 -0.31 3.82 0.11 -0.76 -2.27 120.40 128.10 1jjj s VAL 86 Ca 0.13 1.14 -0.16 0.00 -2.93 0.00 0.00 61.98 60.16 1jjj s VAL 86 Cb -0.16 -3.92 -0.02 0.00 -1.53 0.00 0.00 36.38 30.75 1jjj s VAL 86 CO 0.12 0.16 0.41 0.00 -3.33 0.00 0.00 175.10 172.46 1jjj s ASN 88 N 1.70 2.47 0.07 0.00 0.01 -0.63 -0.38 114.94 118.18 1jjj s ASN 88 Ca 0.15 -0.51 -0.26 0.00 -0.71 0.00 0.00 52.86 51.53 1jjj s ASN 88 Cb -0.16 -0.74 -0.06 0.00 0.41 0.00 0.00 41.25 40.70 1jjj s ASN 88 CO 0.11 -0.20 0.80 0.12 -1.51 0.00 0.00 177.10 176.43 1jjj s PHE 89 N 1.76 3.76 -0.04 2.20 5.36 -1.26 -0.63 117.98 129.14 1jjj s PHE 89 Ca 0.02 1.55 0.01 0.00 -0.96 0.00 0.00 56.93 57.54 1jjj s PHE 89 Cb -0.14 -2.86 0.02 0.00 -0.34 0.00 0.00 43.02 39.70 1jjj s PHE 89 CO -0.07 0.28 -0.02 -0.08 -1.46 0.00 0.00 175.22 173.86 1jjj s THR 90 N -0.13 0.37 0.00 0.12 -1.32 -0.29 -5.00 115.64 109.40 1jjj s THR 90 Ca 0.40 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 1jjj s THR 90 Cb -0.21 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1jjj s THR 90 CO 0.24 0.19 0.00 0.47 -2.21 0.00 0.00 174.62 173.31 1jjj n ASP 91 N 4.10 0.00 -2.69 8.08 9.92 -1.26 -1.44 116.55 133.26 1jjj n ASP 91 Ca -0.25 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 53.93 1jjj n ASP 91 Cb 0.51 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.04 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjj n GLY 92 N 0.00 1.52 3.40 0.44 0.00 -1.26 -3.29 105.19 106.00 1jjj n GLY 92 Ca 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 1jjj n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjj s ALA 93 N -2.38 -1.38 -0.37 4.61 0.00 -0.52 -3.36 121.76 118.37 1jjj s ALA 93 Ca 0.25 1.84 -0.16 0.00 0.00 0.00 0.00 51.96 53.89 1jjj s ALA 93 Cb 0.43 -1.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 1jjj s ALA 93 CO -0.00 -0.45 0.38 -1.17 0.00 0.00 0.00 175.76 174.52 1jjj s LEU 94 N 1.83 4.58 -0.64 0.00 2.96 -0.37 -1.14 118.68 125.89 1jjj s LEU 94 Ca -0.08 -0.37 -0.24 0.00 -0.22 0.00 0.00 54.13 53.22 1jjj s LEU 94 Cb -0.09 -2.35 0.06 0.00 0.50 0.00 0.00 46.19 44.32 1jjj s LEU 94 CO -0.15 -0.41 1.00 -0.69 -1.32 0.00 0.00 176.35 174.78 1jjj s VAL 95 N 2.04 4.26 -0.64 1.68 1.01 0.20 -0.96 120.40 127.99 1jjj s VAL 95 Ca 0.12 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1jjj s VAL 95 Cb -0.17 -4.67 0.08 0.00 0.00 0.00 0.00 36.38 31.62 1jjj s VAL 95 CO 0.12 -1.41 0.87 -1.58 0.00 0.00 0.00 175.10 173.10 1jjj s GLN 96 N 4.26 3.09 -0.52 2.72 0.74 -0.13 -1.60 119.66 128.23 1jjj s GLN 96 Ca 0.26 -1.03 -0.14 0.00 0.05 0.00 0.00 55.36 54.50 1jjj s GLN 96 Cb -0.14 -4.25 0.12 0.00 1.10 0.00 0.00 33.01 29.84 1jjj s GLN 96 CO 0.13 -1.72 0.45 -1.58 -0.55 0.00 0.00 175.29 172.03 1jjj s HIS 97 N 3.54 3.30 0.07 1.67 2.46 -0.47 -1.02 115.29 124.84 1jjj s HIS 97 Ca 0.18 -1.43 -0.30 0.00 0.47 0.00 0.00 55.06 53.98 1jjj s HIS 97 Cb -0.19 -3.68 -0.05 0.00 -0.13 0.00 0.00 32.58 28.53 1jjj s HIS 97 CO 0.08 -1.00 1.02 -0.65 -2.47 0.00 0.00 174.74 171.72 1jjj s GLN 98 N 1.54 4.60 -0.13 2.88 -0.21 -0.29 -1.82 119.66 126.22 1jjj s GLN 98 Ca 0.04 1.51 -0.01 0.00 0.02 0.00 0.00 55.36 56.93 1jjj s GLN 98 Cb -0.29 -3.39 0.03 0.00 1.00 0.00 0.00 33.01 30.36 1jjj s GLN 98 CO 0.02 0.03 -0.05 -1.21 -2.12 0.00 0.00 175.29 171.97 1jjj s GLU 99 N 0.48 1.29 -0.21 2.91 2.02 -0.83 -1.91 118.70 122.44 1jjj s GLU 99 Ca 0.51 -0.28 -0.25 0.00 0.02 0.00 0.00 54.97 54.97 1jjj s GLU 99 Cb -0.24 -1.63 0.07 0.00 0.10 0.00 0.00 34.13 32.42 1jjj s GLU 99 CO 0.30 -0.34 0.68 1.67 0.02 0.00 0.00 175.26 177.59 1jjj s TRP 100 N 1.74 -0.73 -1.54 1.61 -2.14 -0.66 -0.97 118.94 116.25 1jjj s TRP 100 Ca 0.03 1.69 -0.12 0.00 2.66 0.00 0.00 56.10 60.36 1jjj s TRP 100 Cb -0.14 0.29 0.09 0.00 -3.10 0.00 0.00 33.47 30.61 1jjj s TRP 100 CO -0.08 -0.41 0.87 -3.47 -2.66 0.00 0.00 176.95 171.21 1jjj n ASP 101 N 2.33 -3.79 -1.59 -2.66 2.03 -1.26 -0.74 116.55 110.87 1jjj n ASP 101 Ca -0.15 -0.85 -0.15 0.00 0.52 0.00 0.00 54.79 54.16 1jjj n ASP 101 Cb 0.56 -3.61 -0.02 0.00 -0.72 0.00 0.00 41.12 37.32 1jjj n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 102 N -1.64 0.25 3.07 0.27 0.00 -1.26 -5.04 105.19 100.84 1jjj n GLY 102 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1jjj n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 103 N -4.35 0.47 0.09 1.61 1.02 0.08 -5.19 119.74 113.47 1jjj s LYS 103 Ca 0.00 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.42 1jjj s LYS 103 Cb 0.00 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 1jjj s LYS 103 CO 0.00 -0.11 -0.09 -1.83 -0.92 0.00 0.00 175.35 172.41 1jjj s GLU 104 N -1.88 0.79 -0.11 1.68 -1.05 -1.26 -1.66 118.70 115.21 1jjj s GLU 104 Ca -0.11 -1.13 -0.06 0.00 -0.15 0.00 0.00 54.97 53.52 1jjj s GLU 104 Cb -0.06 -0.42 0.05 0.00 -0.44 0.00 0.00 34.13 33.26 1jjj s GLU 104 CO -0.01 0.05 0.27 0.45 0.95 0.00 0.00 175.26 176.97 1jjj s SER 105 N -2.43 -0.30 -0.33 0.83 0.15 -0.81 -4.74 113.70 106.08 1jjj s SER 105 Ca 0.04 0.57 -0.09 0.00 0.70 0.00 0.00 55.95 57.17 1jjj s SER 105 Cb -0.02 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 1jjj s SER 105 CO -0.01 -0.16 0.15 0.42 1.20 0.00 0.00 173.24 174.85 1jjj s THR 106 N 1.12 4.46 -0.53 6.45 -4.23 -0.80 -1.14 115.64 120.98 1jjj s THR 106 Ca -0.08 -0.61 -0.17 0.00 -1.18 0.00 0.00 61.69 59.65 1jjj s THR 106 Cb -0.09 -3.35 0.11 0.00 1.34 0.00 0.00 72.50 70.51 1jjj s THR 106 CO -0.08 -0.03 0.52 -0.63 -0.54 0.00 0.00 174.62 173.86 1jjj s ILE 107 N 1.57 5.12 -0.62 2.99 -1.09 -0.19 -2.30 121.20 126.67 1jjj s ILE 107 Ca 0.03 -1.22 -0.18 0.00 -2.23 0.00 0.00 60.65 57.05 1jjj s ILE 107 Cb -0.18 -4.31 0.12 0.00 -1.58 0.00 0.00 42.46 36.51 1jjj s ILE 107 CO 0.06 -0.84 0.70 -0.89 -1.23 0.00 0.00 174.94 172.74 1jjj s THR 108 N 1.88 4.96 -0.60 2.92 2.01 -0.46 -0.96 115.64 125.39 1jjj s THR 108 Ca 0.06 -1.26 -0.22 0.00 0.31 0.00 0.00 61.69 60.58 1jjj s THR 108 Cb -0.27 -4.48 0.06 0.00 0.01 0.00 0.00 72.50 67.83 1jjj s THR 108 CO 0.05 -1.09 0.88 -0.13 -0.69 0.00 0.00 174.62 173.64 1jjj s ARG 109 N 2.26 3.17 0.04 4.92 0.52 -0.13 -1.56 118.95 128.17 1jjj s ARG 109 Ca 0.12 -0.71 0.03 0.00 -0.52 0.00 0.00 55.73 54.64 1jjj s ARG 109 Cb -0.23 -4.16 -0.02 0.00 0.52 0.00 0.00 34.95 31.06 1jjj s ARG 109 CO 0.03 -1.61 -0.10 -1.59 0.02 0.00 0.00 175.30 172.06 1jjj s LYS 110 N 3.70 0.65 -0.35 3.54 -2.85 -0.99 -1.24 119.74 122.20 1jjj s LYS 110 Ca 0.23 -0.72 -0.25 0.00 -1.00 0.00 0.00 55.97 54.22 1jjj s LYS 110 Cb -0.17 -0.54 0.01 0.00 -2.06 0.00 0.00 37.83 35.08 1jjj s LYS 110 CO 0.13 0.12 0.90 -1.17 0.10 0.00 0.00 175.35 175.43 1jjj s LEU 111 N -1.34 4.02 -0.20 2.77 1.98 -1.21 -0.74 118.68 123.96 1jjj s LEU 111 Ca -0.05 0.61 -0.02 0.00 -2.89 0.00 0.00 54.13 51.79 1jjj s LEU 111 Cb -0.09 -3.23 0.06 0.00 0.66 0.00 0.00 46.19 43.59 1jjj s LEU 111 CO 0.01 -0.81 0.00 -0.54 -1.89 0.00 0.00 176.35 173.12 1jjj s LYS 112 N 3.36 1.01 -1.13 1.98 1.02 -0.09 -4.91 119.74 120.99 1jjj s LYS 112 Ca 0.37 -0.58 -0.10 0.00 0.02 0.00 0.00 55.97 55.68 1jjj s LYS 112 Cb -0.12 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1jjj s LYS 112 CO 0.17 -0.60 0.85 -3.47 -0.92 0.00 0.00 175.35 171.38 1jjj n ASP 113 N 4.92 -5.08 0.00 2.83 2.03 -1.26 -2.50 116.55 117.49 1jjj n ASP 113 Ca -0.10 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.39 1jjj n ASP 113 Cb 0.46 -4.43 0.00 0.00 -0.72 0.00 0.00 41.12 36.43 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 114 N -1.42 1.18 3.50 0.27 0.00 -1.26 -5.00 105.19 102.46 1jjj n GLY 114 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1jjj n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 115 N -0.08 2.52 -0.60 1.61 -0.14 -1.04 -4.28 119.74 117.73 1jjj s LYS 115 Ca 0.00 -0.69 -0.26 0.00 -1.36 0.00 0.00 55.97 53.66 1jjj s LYS 115 Cb 0.00 -2.41 0.04 0.00 -1.68 0.00 0.00 37.83 33.78 1jjj s LYS 115 CO 0.00 0.62 1.09 -1.17 -0.76 0.00 0.00 175.35 175.13 1jjj s LEU 116 N -0.83 3.74 -0.48 3.17 2.96 -0.83 -0.91 118.68 125.50 1jjj s LEU 116 Ca 0.12 -0.26 -0.18 0.00 -0.22 0.00 0.00 54.13 53.59 1jjj s LEU 116 Cb -0.11 -2.87 0.06 0.00 0.50 0.00 0.00 46.19 43.77 1jjj s LEU 116 CO 0.01 -1.44 0.54 -0.69 -1.32 0.00 0.00 176.35 173.45 1jjj s VAL 117 N 4.61 5.00 -0.62 1.68 1.01 0.09 -1.56 120.40 130.61 1jjj s VAL 117 Ca 0.35 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 1jjj s VAL 117 Cb -0.10 -4.21 0.12 0.00 0.00 0.00 0.00 36.38 32.18 1jjj s VAL 117 CO 0.20 -0.69 0.70 -0.69 0.00 0.00 0.00 175.10 174.62 1jjj s VAL 118 N 2.30 4.94 -0.57 2.92 1.01 -0.03 -2.33 120.40 128.64 1jjj s VAL 118 Ca 0.12 -1.23 -0.18 0.00 0.00 0.00 0.00 61.98 60.69 1jjj s VAL 118 Cb -0.20 -4.48 0.10 0.00 0.00 0.00 0.00 36.38 31.80 1jjj s VAL 118 CO 0.11 -1.10 0.65 -1.61 0.00 0.00 0.00 175.10 173.15 1jjj s GLU 119 N 2.32 3.04 0.10 2.72 2.02 -0.60 -1.48 118.70 126.81 1jjj s GLU 119 Ca 0.12 -1.35 -0.12 0.00 0.02 0.00 0.00 54.97 53.64 1jjj s GLU 119 Cb -0.23 -4.25 -0.06 0.00 0.10 0.00 0.00 34.13 29.69 1jjj s GLU 119 CO 0.04 -1.46 0.45 0.00 0.02 0.00 0.00 175.26 174.31 1jjj s VAL 121 N -1.40 0.45 -0.16 0.00 0.11 -0.97 -2.25 120.40 116.18 1jjj s VAL 121 Ca 0.34 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 59.08 1jjj s VAL 121 Cb -0.15 -0.42 -0.06 0.00 -1.53 0.00 0.00 36.38 34.23 1jjj s VAL 121 CO 0.18 0.15 -0.18 0.80 -3.33 0.00 0.00 175.10 172.72 1jjj n MET 122 N 3.32 0.49 0.00 1.54 1.56 -0.60 -1.90 117.12 121.53 1jjj n MET 122 Ca -0.18 0.45 0.00 0.00 -0.27 0.00 0.00 57.70 57.70 1jjj n MET 122 Cb 0.55 -1.63 0.00 0.00 2.15 0.00 0.00 33.22 34.29 1jjj n MET 122 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1jjj n ASN 123 N -4.54 0.00 0.06 6.12 0.23 -1.26 -4.74 115.26 111.12 1jjj n ASN 123 Ca -0.14 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.03 1jjj n ASN 123 Cb 0.40 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.18 1jjj n ASN 123 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1jjj n ASN 124 N 0.00 0.68 -4.71 0.53 4.13 -1.26 -5.00 115.26 109.64 1jjj n ASN 124 Ca 0.00 0.05 -0.42 0.00 1.68 0.00 0.00 54.58 55.89 1jjj n ASN 124 Cb 0.00 0.46 -0.03 0.00 -1.54 0.00 0.00 39.78 38.67 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1jjj s VAL 125 N -3.22 4.83 0.05 2.41 1.01 -1.26 -5.05 120.40 119.17 1jjj s VAL 125 Ca 0.04 2.04 0.01 0.00 0.00 0.00 0.00 61.98 64.07 1jjj s VAL 125 Cb 0.13 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1jjj s VAL 125 CO 0.76 0.14 -0.06 0.42 0.00 0.00 0.00 175.10 176.37 1jjj s THR 126 N 1.13 0.43 -0.05 3.92 -4.23 -1.26 -1.55 115.64 114.03 1jjj s THR 126 Ca 0.52 -1.33 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1jjj s THR 126 Cb -0.21 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 72.76 1jjj s THR 126 CO 0.27 -0.60 -0.07 0.00 -0.54 0.00 0.00 174.62 173.68 1jjj s THR 128 N 0.79 4.61 -0.30 0.00 2.01 -0.35 -1.24 115.64 121.17 1jjj s THR 128 Ca -0.12 -1.57 -0.10 0.00 0.31 0.00 0.00 61.69 60.21 1jjj s THR 128 Cb -0.14 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1jjj s THR 128 CO 0.01 -0.74 0.16 -0.13 -0.69 0.00 0.00 174.62 173.23 1jjj s ARG 129 N 1.47 3.53 -0.26 4.92 0.52 -0.55 -3.09 118.95 125.49 1jjj s ARG 129 Ca 0.04 -0.59 -0.18 0.00 -0.52 0.00 0.00 55.73 54.48 1jjj s ARG 129 Cb -0.27 -3.59 -0.03 0.00 0.52 0.00 0.00 34.95 31.59 1jjj s ARG 129 CO 0.02 -0.34 0.52 0.42 0.02 0.00 0.00 175.30 175.93 1jjj s ILE 130 N 1.66 5.07 -0.12 1.52 -1.09 -0.01 -0.85 121.20 127.38 1jjj s ILE 130 Ca 0.06 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 1jjj s ILE 130 Cb -0.17 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1jjj s ILE 130 CO 0.08 0.09 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.44 1jjj s TYR 131 N 2.25 2.81 -0.04 3.97 1.51 -0.60 -1.42 117.35 125.83 1jjj s TYR 131 Ca 0.21 -0.58 -0.23 0.00 -1.01 0.00 0.00 57.07 55.46 1jjj s TYR 131 Cb -0.16 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1jjj s TYR 131 CO 0.09 -0.16 0.70 -1.83 -1.11 0.00 0.00 175.55 173.23 1jjj s GLU 132 N 0.24 4.43 -0.50 -0.62 4.04 -0.18 -1.96 118.70 124.15 1jjj s GLU 132 Ca -0.09 0.89 -0.28 0.00 0.04 0.00 0.00 54.97 55.53 1jjj s GLU 132 Cb -0.15 -3.42 0.00 0.00 0.02 0.00 0.00 34.13 30.58 1jjj s GLU 132 CO 0.05 0.14 1.52 0.21 -1.84 0.00 0.00 175.26 175.35 1jjj s LYS 133 N 0.53 3.28 -0.20 -4.83 2.20 -1.26 -2.16 119.74 117.31 1jjj s LYS 133 Ca 0.37 0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 56.59 1jjj s LYS 133 Cb -0.18 -4.14 -0.05 0.00 -1.51 0.00 0.00 37.83 31.94 1jjj s LYS 133 CO 0.19 -1.94 0.17 0.08 -0.36 0.00 0.00 175.35 173.48 1jjj s VAL 134 N 6.41 5.38 -1.26 4.02 1.01 0.79 -5.01 120.40 131.75 1jjj s VAL 134 Ca 0.60 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.94 1jjj s VAL 134 Cb -0.13 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.82 1jjj s VAL 134 CO 0.27 0.42 0.82 -0.62 0.00 0.00 0.00 175.10 175.99