#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jug h PRO 2 N 0.00 0.15 -4.48 1.61 0.13 -2.07 -3.20 132.00 124.14 2jug h PRO 2 Ca 0.00 -0.07 -0.72 0.00 -0.87 0.00 0.00 66.00 64.34 2jug h PRO 2 Cb 0.00 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.91 2jug h PRO 2 CO 0.00 0.54 -0.12 -0.51 -0.23 0.00 0.00 178.00 177.68 2jug s LEU 3 N -8.20 5.56 0.00 1.56 1.43 -1.26 -4.75 118.68 113.02 2jug s LEU 3 Ca -0.04 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 2jug s LEU 3 Cb 0.14 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2jug s LEU 3 CO 0.76 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 177.09 2jug n GLY 4 N 5.22 0.93 0.00 -3.19 0.00 -1.26 -4.86 105.19 102.03 2jug n GLY 4 Ca -0.11 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2jug n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jug n SER 5 N 0.00 0.00 0.00 1.61 3.41 -1.21 -4.89 113.62 112.55 2jug n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jug n SER 5 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jug n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jug n SER 6 N 0.00 -3.73 -0.13 4.04 7.64 -1.26 -1.81 113.62 118.36 2jug n SER 6 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 2jug n SER 6 Cb 0.00 -2.05 -0.02 0.00 -1.01 0.00 0.00 64.21 61.13 2jug n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jug h ALA 7 N 0.00 0.58 -0.97 -0.43 0.00 -1.95 -2.83 119.26 113.66 2jug h ALA 7 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.55 2jug h ALA 7 Cb 0.45 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2jug h ALA 7 CO 0.00 0.67 0.62 0.78 0.00 0.00 0.00 179.25 181.32 2jug h GLY 8 N 0.78 1.51 0.83 0.00 0.00 -1.98 0.62 103.07 104.83 2jug h GLY 8 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2jug h GLY 8 CO 0.09 0.26 0.04 0.00 0.00 0.00 0.00 176.54 176.93 2jug h ALA 9 N 1.47 0.18 -0.21 3.60 0.00 -1.94 0.21 119.26 122.57 2jug h ALA 9 Ca 0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2jug h ALA 9 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jug h ALA 9 CO -0.20 -0.19 -0.00 1.25 0.00 0.00 0.00 179.25 180.11 2jug h LEU 10 N 0.03 0.37 -0.13 0.00 5.85 -1.19 -2.19 115.31 118.05 2jug h LEU 10 Ca 0.04 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2jug h LEU 10 Cb 0.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2jug h LEU 10 CO -0.00 0.59 0.08 0.25 -0.34 0.00 0.00 178.44 179.02 2jug h LEU 11 N 0.14 0.15 -0.23 2.25 7.12 0.26 -0.45 115.31 124.54 2jug h LEU 11 Ca 0.06 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.06 2jug h LEU 11 Cb 0.40 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.48 2jug h LEU 11 CO 0.01 0.12 0.15 0.00 -0.13 0.00 0.00 178.44 178.59 2jug h ALA 12 N 1.04 0.29 0.00 1.25 0.00 -0.57 0.74 119.26 122.01 2jug h ALA 12 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2jug h ALA 12 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jug h ALA 12 CO -0.01 -0.24 -0.57 1.12 0.00 0.00 0.00 179.25 179.55 2jug h HIS 13 N 0.30 0.00 0.06 0.00 2.07 -1.27 -0.88 115.15 115.44 2jug h HIS 13 Ca 0.09 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.36 2jug h HIS 13 Cb -0.03 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.96 2jug h HIS 13 CO -0.07 0.57 -1.09 0.00 -3.07 0.00 0.00 177.93 174.28 2jug h ALA 14 N 1.43 0.23 -0.10 6.11 0.00 -0.87 -2.99 119.26 123.07 2jug h ALA 14 Ca -0.01 -0.79 -0.18 0.00 0.00 0.00 0.00 54.91 53.94 2jug h ALA 14 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2jug h ALA 14 CO 0.07 0.87 -0.71 0.00 0.00 0.00 0.00 179.25 179.49 2jug h ALA 15 N 0.65 0.59 -0.53 0.00 0.00 -0.68 0.23 119.26 119.52 2jug h ALA 15 Ca -0.11 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 2jug h ALA 15 Cb 1.76 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2jug h ALA 15 CO 0.18 0.74 0.04 0.66 0.00 0.00 0.00 179.25 180.88 2jug h SER 16 N 0.32 0.88 1.22 0.00 4.64 -1.24 -2.61 113.55 116.75 2jug h SER 16 Ca -0.03 -0.29 -0.12 0.00 -0.47 0.00 0.00 61.79 60.89 2jug h SER 16 Cb 1.28 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 2jug h SER 16 CO 0.13 0.95 -0.57 -0.07 -0.87 0.00 0.00 176.83 176.40 2jug h LEU 17 N 0.78 0.00 -1.10 5.97 3.38 -1.51 -3.48 115.31 119.35 2jug h LEU 17 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2jug h LEU 17 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jug h LEU 17 CO 0.02 0.57 -0.06 0.61 0.09 0.00 0.00 178.44 179.67 2jug n GLY 18 N 0.98 0.77 3.75 0.83 0.00 0.72 -4.57 105.19 107.66 2jug n GLY 18 Ca 0.01 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 2jug n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jug s VAL 19 N -3.03 2.90 -0.07 1.61 1.01 -0.58 -4.70 120.40 117.53 2jug s VAL 19 Ca 0.05 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.81 2jug s VAL 19 Cb -0.02 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2jug s VAL 19 CO 0.07 0.13 -0.08 -0.13 0.00 0.00 0.00 175.10 175.08 2jug s ARG 20 N -0.47 1.36 -0.12 2.72 0.52 0.33 -4.86 118.95 118.45 2jug s ARG 20 Ca 0.57 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.50 2jug s ARG 20 Cb -0.39 -1.28 0.04 0.00 0.52 0.00 0.00 34.95 33.83 2jug s ARG 20 CO 0.42 -0.10 -0.01 -0.51 0.02 0.00 0.00 175.30 175.13 2jug s LEU 21 N 1.09 0.94 0.07 2.53 1.02 -1.26 -0.81 118.68 122.26 2jug s LEU 21 Ca -0.07 -0.36 0.05 0.00 0.02 0.00 0.00 54.13 53.77 2jug s LEU 21 Cb -0.14 -0.60 -0.03 0.00 0.02 0.00 0.00 46.19 45.44 2jug s LEU 21 CO -0.01 -0.21 -0.15 -1.66 0.02 0.00 0.00 176.35 174.34 2jug s TRP 22 N 1.86 1.30 -0.20 0.29 -2.14 -0.98 -4.48 118.94 114.59 2jug s TRP 22 Ca 0.03 -0.43 -0.11 0.00 2.66 0.00 0.00 56.10 58.25 2jug s TRP 22 Cb -0.14 -0.74 -0.05 0.00 -3.10 0.00 0.00 33.47 29.45 2jug s TRP 22 CO -0.07 0.07 0.17 0.54 -2.66 0.00 0.00 176.95 175.01 2jug s VAL 23 N -1.17 5.37 -0.20 -0.66 0.11 -1.26 -0.17 120.40 122.42 2jug s VAL 23 Ca -0.00 0.27 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 2jug s VAL 23 Cb -0.10 -3.51 0.03 0.00 -1.53 0.00 0.00 36.38 31.27 2jug s VAL 23 CO 0.02 0.41 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.34 2jug s GLU 24 N 0.53 2.62 5.89 1.54 2.12 0.23 -4.94 118.70 126.71 2jug s GLU 24 Ca 0.10 -0.97 0.00 0.00 0.36 0.00 0.00 54.97 54.46 2jug s GLU 24 Cb -0.12 -2.62 0.00 0.00 0.26 0.00 0.00 34.13 31.65 2jug s GLU 24 CO 0.01 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 2jug n GLY 25 N 4.58 1.46 0.00 -1.50 0.00 -1.26 -1.99 105.19 106.48 2jug n GLY 25 Ca -0.18 0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.95 2jug n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jug n GLU 26 N 0.00 2.98 -3.48 1.61 0.00 -1.26 -5.05 120.64 115.44 2jug n GLU 26 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 57.16 56.79 2jug n GLU 26 Cb 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 31.44 30.51 2jug n GLU 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2jug s ARG 27 N -1.79 3.87 -0.07 3.44 6.06 -0.84 -5.04 118.95 124.57 2jug s ARG 27 Ca -0.00 0.33 -0.24 0.00 -2.50 0.00 0.00 55.73 53.32 2jug s ARG 27 Cb 0.02 -3.00 -0.03 0.00 0.06 0.00 0.00 34.95 32.00 2jug s ARG 27 CO 0.15 0.54 0.73 -1.17 -2.50 0.00 0.00 175.30 173.05 2jug s LEU 28 N -1.83 4.30 -0.17 -0.88 1.98 -1.26 -0.60 118.68 120.22 2jug s LEU 28 Ca 0.34 1.21 -0.13 0.00 -2.89 0.00 0.00 54.13 52.67 2jug s LEU 28 Cb -0.15 -3.13 -0.05 0.00 0.66 0.00 0.00 46.19 43.53 2jug s LEU 28 CO 0.18 -0.15 0.25 -0.13 -1.89 0.00 0.00 176.35 174.60 2jug s ARG 29 N 0.96 4.24 -0.12 1.98 3.00 0.77 -4.94 118.95 124.83 2jug s ARG 29 Ca 0.38 0.01 0.00 0.00 0.00 0.00 0.00 55.73 56.13 2jug s ARG 29 Cb -0.18 -3.42 -0.02 0.00 0.00 0.00 0.00 34.95 31.33 2jug s ARG 29 CO 0.18 0.26 -0.14 0.12 0.00 0.00 0.00 175.30 175.72 2jug s PHE 30 N 0.44 2.79 -0.09 -0.53 2.19 -1.26 -2.32 117.98 119.19 2jug s PHE 30 Ca 0.14 -0.59 0.00 0.00 0.33 0.00 0.00 56.93 56.82 2jug s PHE 30 Cb -0.12 -1.81 0.02 0.00 -1.31 0.00 0.00 43.02 39.80 2jug s PHE 30 CO 0.02 -0.16 -0.08 -1.14 1.83 0.00 0.00 175.22 175.69 2jug s GLN 31 N 0.20 1.45 -0.17 10.12 2.00 0.01 -5.02 119.66 128.26 2jug s GLN 31 Ca -0.08 -0.26 -0.14 0.00 -2.00 0.00 0.00 55.36 52.87 2jug s GLN 31 Cb -0.15 -1.42 0.05 0.00 0.80 0.00 0.00 33.01 32.28 2jug s GLN 31 CO 0.05 -0.17 0.45 0.00 -0.50 0.00 0.00 175.29 175.12 2jug s ALA 32 N 1.34 -1.12 0.69 1.58 0.00 -1.26 -0.51 121.76 122.48 2jug s ALA 32 Ca -0.02 1.34 -0.15 0.00 0.00 0.00 0.00 51.96 53.13 2jug s ALA 32 Cb -0.14 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.22 2jug s ALA 32 CO -0.04 -0.22 1.13 -1.25 0.00 0.00 0.00 175.76 175.38 2jug s PRO 33 N 0.47 2.58 0.06 0.00 0.04 -1.26 -4.92 135.00 131.96 2jug s PRO 33 Ca -0.02 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 2jug s PRO 33 Cb -0.04 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2jug s PRO 33 CO -0.02 -1.43 1.83 -1.25 0.04 0.00 0.00 177.00 176.16 2jug s PRO 34 N -4.13 4.16 0.00 0.56 0.04 -1.26 -2.78 135.00 131.59 2jug s PRO 34 Ca 0.68 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.22 2jug s PRO 34 Cb -0.22 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.45 2jug s PRO 34 CO 0.44 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 177.02 2jug n GLY 35 N 4.30 1.66 0.03 0.56 0.00 -1.26 -4.92 105.19 105.56 2jug n GLY 35 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2jug n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jug n VAL 36 N -0.10 0.18 0.66 1.61 0.24 -1.12 -3.88 118.33 115.92 2jug n VAL 36 Ca 0.00 -0.10 0.01 0.00 -2.04 0.00 0.00 64.34 62.21 2jug n VAL 36 Cb 0.00 -0.28 0.07 0.00 -1.47 0.00 0.00 33.84 32.16 2jug n VAL 36 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2jug n MET 37 N -1.75 1.68 -1.59 7.34 0.00 -1.26 -4.75 117.12 116.79 2jug n MET 37 Ca 0.06 -0.56 -0.39 0.00 0.00 0.00 0.00 57.70 56.80 2jug n MET 37 Cb 0.37 -1.62 0.03 0.00 0.00 0.00 0.00 33.22 32.00 2jug n MET 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2jug n THR 38 N 0.12 2.90 -0.23 1.12 -2.24 -1.25 -4.70 114.28 110.01 2jug n THR 38 Ca 0.05 -0.50 0.21 0.00 -2.27 0.00 0.00 64.05 61.55 2jug n THR 38 Cb 0.43 -1.08 0.56 0.00 -2.10 0.00 0.00 70.33 68.15 2jug n THR 38 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2jug h PRO 39 N 0.91 0.30 -0.17 -0.78 0.11 -1.96 0.14 132.00 130.55 2jug h PRO 39 Ca -0.46 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 2jug h PRO 39 Cb 1.36 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2jug h PRO 39 CO 0.53 0.20 -0.52 1.49 -0.21 0.00 0.00 178.00 179.49 2jug h GLU 40 N 0.31 0.47 -0.65 1.05 4.81 -1.96 -2.28 114.58 116.33 2jug h GLU 40 Ca 0.46 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2jug h GLU 40 Cb 1.30 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 2jug h GLU 40 CO -0.14 0.87 0.18 1.25 -0.73 0.00 0.00 179.01 180.43 2jug h LEU 41 N 0.37 0.97 -1.27 1.64 6.46 -1.03 0.11 115.31 122.56 2jug h LEU 41 Ca 0.01 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 2jug h LEU 41 Cb 1.03 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.67 2jug h LEU 41 CO 0.09 0.94 0.50 -0.61 -0.62 0.00 0.00 178.44 178.74 2jug h GLN 42 N 0.95 0.97 0.00 1.25 5.75 -1.32 0.25 115.11 122.97 2jug h GLN 42 Ca 0.21 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 2jug h GLN 42 Cb 0.33 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 2jug h GLN 42 CO -0.00 0.64 -0.34 1.03 -2.65 0.00 0.00 178.83 177.51 2jug h SER 43 N 1.00 0.00 -0.10 -0.69 0.87 -0.63 0.20 113.55 114.19 2jug h SER 43 Ca 0.28 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.70 2jug h SER 43 Cb -0.10 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2jug h SER 43 CO -0.06 0.34 -0.45 0.03 -0.53 0.00 0.00 176.83 176.15 2jug h ARG 44 N 0.00 0.49 -0.60 2.24 2.47 0.10 -3.22 114.38 115.86 2jug h ARG 44 Ca -0.00 -0.39 -0.02 0.00 -1.26 0.00 0.00 59.98 58.30 2jug h ARG 44 Cb 0.65 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 2jug h ARG 44 CO 0.04 1.02 0.28 -0.07 0.56 0.00 0.00 179.97 181.80 2jug h LEU 45 N 0.08 0.79 0.00 3.04 3.38 -0.31 -3.46 115.31 118.83 2jug h LEU 45 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2jug h LEU 45 Cb 1.09 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2jug h LEU 45 CO 0.09 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.94 2jug n GLY 46 N -0.92 2.95 2.29 0.83 0.00 0.66 -3.75 105.19 107.26 2jug n GLY 46 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 2jug n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jug n GLY 47 N -1.39 0.75 3.80 -0.02 0.00 -1.26 -5.00 105.19 102.07 2jug n GLY 47 Ca 0.00 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 2jug n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jug s ALA 48 N -2.05 2.98 -0.01 4.61 0.00 -1.25 -4.96 121.76 121.08 2jug s ALA 48 Ca 0.00 0.57 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 2jug s ALA 48 Cb 0.00 -3.23 -0.19 0.00 0.00 0.00 0.00 23.12 19.70 2jug s ALA 48 CO 0.00 -0.15 1.25 0.07 0.00 0.00 0.00 175.76 176.94 2jug h ARG 49 N 1.96 -0.07 -0.33 0.00 0.11 -1.95 -1.60 114.38 112.50 2jug h ARG 49 Ca -0.49 0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.58 2jug h ARG 49 Cb 1.21 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 2jug h ARG 49 CO 0.61 0.36 0.11 1.12 0.10 0.00 0.00 179.97 182.27 2jug h HIS 50 N -0.53 0.46 -0.18 4.08 2.07 -2.00 -2.32 115.15 116.73 2jug h HIS 50 Ca -0.01 -0.02 -0.05 0.00 -2.85 0.00 0.00 60.37 57.45 2jug h HIS 50 Cb 0.47 -0.14 -0.00 0.00 2.57 0.00 0.00 27.41 30.30 2jug h HIS 50 CO 0.08 0.38 -0.07 1.49 -3.07 0.00 0.00 177.93 176.74 2jug h GLU 51 N 0.46 0.36 -0.02 5.12 4.57 -1.89 -2.72 114.58 120.46 2jug h GLU 51 Ca 0.11 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 2jug h GLU 51 Cb 0.13 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2jug h GLU 51 CO -0.01 0.65 -0.30 -0.07 -1.18 0.00 0.00 179.01 178.09 2jug h LEU 52 N 0.05 0.03 -0.61 1.64 3.38 -0.95 0.10 115.31 118.95 2jug h LEU 52 Ca 0.04 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jug h LEU 52 Cb 0.53 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2jug h LEU 52 CO 0.02 0.33 0.36 0.40 0.09 0.00 0.00 178.44 179.65 2jug h ILE 53 N 0.03 1.18 -0.06 1.22 2.04 -1.27 -0.38 117.51 120.28 2jug h ILE 53 Ca 0.00 -0.41 -0.13 0.00 1.00 0.00 0.00 64.86 65.32 2jug h ILE 53 Cb 0.55 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2jug h ILE 53 CO 0.04 0.19 -0.55 0.00 0.00 0.00 0.00 178.15 177.83 2jug h ALA 54 N 1.18 0.98 -0.59 1.87 0.00 -0.96 0.22 119.26 121.97 2jug h ALA 54 Ca 0.22 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2jug h ALA 54 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2jug h ALA 54 CO -0.04 0.69 0.10 1.25 0.00 0.00 0.00 179.25 181.25 2jug h LEU 55 N 0.13 0.89 -0.42 0.00 7.12 -0.36 -1.69 115.31 120.98 2jug h LEU 55 Ca -0.00 -0.19 -0.16 0.00 0.13 0.00 0.00 57.88 57.66 2jug h LEU 55 Cb 1.00 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 2jug h LEU 55 CO 0.08 0.89 -0.38 0.25 -0.13 0.00 0.00 178.44 179.15 2jug h LEU 56 N 0.89 0.98 -1.99 2.25 7.12 -0.72 -2.98 115.31 120.86 2jug h LEU 56 Ca 0.18 -0.45 0.25 0.00 0.13 0.00 0.00 57.88 58.00 2jug h LEU 56 Cb 0.38 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 2jug h LEU 56 CO 0.01 1.24 0.64 0.03 -0.13 0.00 0.00 178.44 180.23 2jug h ARG 57 N 0.75 0.00 -0.45 1.25 3.08 -0.03 0.40 114.38 119.39 2jug h ARG 57 Ca 0.06 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.19 2jug h ARG 57 Cb 0.97 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 2jug h ARG 57 CO 0.09 0.00 0.08 1.96 -1.07 0.00 0.00 179.97 181.03 2jug h GLN 58 N 0.00 0.20 0.05 0.04 4.20 -1.30 -3.04 115.11 115.26 2jug h GLN 58 Ca 0.42 -0.01 -0.27 0.00 0.06 0.00 0.00 58.65 58.84 2jug h GLN 58 Cb 1.70 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.41 2jug h GLN 58 CO -0.00 0.13 -1.42 1.25 -0.67 0.00 0.00 178.83 178.11 2jug h LEU 59 N 0.21 0.16 -9.08 1.46 6.46 -0.71 -3.45 115.31 110.36 2jug h LEU 59 Ca 0.22 -0.23 -0.57 0.00 -0.12 0.00 0.00 57.88 57.19 2jug h LEU 59 Cb 0.29 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 2jug h LEU 59 CO -0.30 1.19 0.93 -1.58 -0.62 0.00 0.00 178.44 178.06 2jug s GLN 60 N -2.64 4.11 0.32 1.25 0.74 0.11 -4.99 119.66 118.56 2jug s GLN 60 Ca -0.05 1.52 -0.29 0.00 0.05 0.00 0.00 55.36 56.59 2jug s GLN 60 Cb 0.08 -3.81 -0.10 0.00 1.10 0.00 0.00 33.01 30.28 2jug s GLN 60 CO 0.83 -0.86 1.25 -1.25 -0.55 0.00 0.00 175.29 174.71 2jug s PRO 61 N 3.76 4.43 -0.01 1.67 0.04 -1.26 -4.80 135.00 138.83 2jug s PRO 61 Ca 0.56 2.11 0.21 0.00 0.04 0.00 0.00 61.00 63.92 2jug s PRO 61 Cb -0.20 -3.10 -0.26 0.00 0.04 0.00 0.00 34.50 30.98 2jug s PRO 61 CO 0.18 -0.08 0.76 0.45 0.04 0.00 0.00 177.00 178.35 2jug n SER 62 N 0.90 0.64 -2.51 6.66 2.88 -1.26 -5.05 113.62 115.87 2jug n SER 62 Ca -0.00 -0.62 -0.02 0.00 -1.33 0.00 0.00 58.87 56.89 2jug n SER 62 Cb 0.43 1.34 -0.02 0.00 -0.75 0.00 0.00 64.21 65.21 2jug n SER 62 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jug n SER 63 N -1.78 -4.77 -0.01 -3.46 7.64 -1.26 -5.05 113.62 104.93 2jug n SER 63 Ca 0.01 1.22 -0.01 0.00 1.01 0.00 0.00 58.87 61.10 2jug n SER 63 Cb 0.42 -4.74 -0.00 0.00 -1.01 0.00 0.00 64.21 58.87 2jug n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jug n GLN 64 N 0.93 0.09 0.00 1.43 3.00 -1.26 -5.12 117.38 116.44 2jug n GLN 64 Ca -0.14 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2jug n GLN 64 Cb 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 30.24 29.84 2jug n GLN 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jug n GLY 65 N 1.70 -1.84 0.00 1.08 0.00 -1.26 -5.11 105.19 99.76 2jug n GLY 65 Ca -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2jug n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jug n GLY 66 N 0.00 1.32 3.15 -0.02 0.00 -1.26 -5.13 105.19 103.25 2jug n GLY 66 Ca 0.00 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 45.04 2jug n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jug s SER 67 N 0.00 -1.42 0.00 1.61 0.15 -1.26 -4.98 113.70 107.80 2jug s SER 67 Ca 0.00 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2jug s SER 67 Cb 0.00 2.01 0.00 0.00 -1.71 0.00 0.00 66.02 66.32 2jug s SER 67 CO 0.00 -0.26 0.85 -0.11 1.20 0.00 0.00 173.24 174.92 2jug n LEU 68 N 5.41 1.57 0.11 3.45 7.94 -1.26 -4.71 117.00 129.51 2jug n LEU 68 Ca 0.03 -1.57 0.04 0.00 -1.11 0.00 0.00 56.01 53.40 2jug n LEU 68 Cb 0.53 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.49 2jug n LEU 68 CO -0.04 0.39 0.23 -0.07 -1.11 0.00 0.00 177.39 176.80 2jug h LEU 69 N 0.00 0.00 -8.19 -1.96 -0.00 -2.06 -3.43 115.31 99.67 2jug h LEU 69 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.21 2jug h LEU 69 Cb 0.51 0.00 -0.32 0.00 -0.00 0.00 0.00 40.66 40.85 2jug h LEU 69 CO 0.00 0.40 -0.81 0.00 -0.00 0.00 0.00 178.44 178.04 2jug s ALA 70 N -3.03 2.52 -0.06 1.53 0.00 -1.26 -5.00 121.76 116.46 2jug s ALA 70 Ca 0.02 -1.21 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 2jug s ALA 70 Cb 0.08 -1.39 0.04 0.00 0.00 0.00 0.00 23.12 21.85 2jug s ALA 70 CO 0.76 -0.39 1.94 -0.35 0.00 0.00 0.00 175.76 177.72 2jug n PRO 71 N 4.69 1.16 -1.62 0.00 -0.04 -1.26 -4.90 135.00 133.02 2jug n PRO 71 Ca -0.20 -0.31 -0.38 0.00 -0.04 0.00 0.00 63.50 62.57 2jug n PRO 71 Cb 0.50 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 2jug n PRO 71 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jug s VAL 72 N -0.44 3.05 0.00 0.52 0.11 -1.26 -2.21 120.40 120.16 2jug s VAL 72 Ca 0.06 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2jug s VAL 72 Cb 0.05 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 2jug s VAL 72 CO -0.00 -0.08 0.00 0.00 -3.33 0.00 0.00 175.10 171.69 2jug n ALA 73 N 14.37 0.00 -2.46 1.54 0.00 -1.26 -2.27 120.51 130.43 2jug n ALA 73 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 2jug n ALA 73 Cb 0.52 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 2jug n ALA 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jug n ARG 74 N 0.22 -2.14 -1.98 0.00 3.00 -0.94 -4.86 116.66 109.96 2jug n ARG 74 Ca 0.00 0.73 -0.38 0.00 -0.01 0.00 0.00 57.85 58.19 2jug n ARG 74 Cb 0.38 -5.37 -0.03 0.00 0.00 0.00 0.00 32.46 27.45 2jug n ARG 74 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2jug s ASN 75 N -2.07 5.19 -0.41 0.55 0.02 -0.96 -4.91 114.94 112.34 2jug s ASN 75 Ca 0.02 0.45 -0.28 0.00 -1.02 0.00 0.00 52.86 52.02 2jug s ASN 75 Cb -0.01 -2.53 -0.01 0.00 0.02 0.00 0.00 41.25 38.73 2jug s ASN 75 CO 0.02 -2.42 1.63 -0.83 0.02 0.00 0.00 177.10 175.53 2jug s GLY 76 N 8.52 0.84 0.39 0.66 0.00 -1.26 -4.83 107.32 111.65 2jug s GLY 76 Ca 0.71 -0.07 0.24 0.00 0.00 0.00 0.00 44.72 45.60 2jug s GLY 76 CO 0.22 3.07 1.67 3.21 0.00 0.00 0.00 173.10 181.26 2jug h ARG 77 N 12.18 0.00 0.00 2.90 3.08 -1.94 -3.56 114.38 127.04 2jug h ARG 77 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2jug h ARG 77 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2jug h ARG 77 CO 1.08 0.00 0.00 1.47 -1.07 0.00 0.00 179.97 181.45