#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jug n PRO 2 N 0.00 0.19 -4.19 1.61 -0.04 -1.26 -4.80 135.00 126.50 2jug n PRO 2 Ca 0.00 0.39 -0.12 0.00 -0.04 0.00 0.00 63.50 63.73 2jug n PRO 2 Cb 0.00 -1.83 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 2jug n PRO 2 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2jug s LEU 3 N -4.36 1.27 0.00 1.53 0.05 -1.26 -5.07 118.68 110.84 2jug s LEU 3 Ca 0.05 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 52.87 2jug s LEU 3 Cb 0.10 0.36 0.00 0.00 -2.05 0.00 0.00 46.19 44.59 2jug s LEU 3 CO 0.40 -0.82 0.00 0.61 -0.55 0.00 0.00 176.35 176.00 2jug n GLY 4 N -0.25 -2.05 3.40 -3.48 0.00 -1.26 -5.15 105.19 96.40 2jug n GLY 4 Ca 0.01 0.63 -0.14 0.00 0.00 0.00 0.00 46.02 46.51 2jug n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jug s SER 5 N -0.69 -0.45 -1.33 1.61 1.04 -1.26 -5.06 113.70 107.56 2jug s SER 5 Ca 0.00 0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.47 2jug s SER 5 Cb 0.00 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2jug s SER 5 CO 0.00 -0.70 1.93 -0.24 0.98 0.00 0.00 173.24 175.21 2jug n SER 6 N 0.48 4.35 -0.08 7.02 2.88 -1.26 -4.75 113.62 122.27 2jug n SER 6 Ca -0.18 -2.87 -0.12 0.00 -1.33 0.00 0.00 58.87 54.37 2jug n SER 6 Cb 0.60 -1.69 -0.05 0.00 -0.75 0.00 0.00 64.21 62.32 2jug n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jug h ALA 7 N 7.15 0.33 -0.36 -1.46 0.00 -1.98 -1.38 119.26 121.57 2jug h ALA 7 Ca 0.48 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2jug h ALA 7 Cb 0.78 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2jug h ALA 7 CO 1.62 0.14 0.19 0.78 0.00 0.00 0.00 179.25 181.98 2jug h GLY 8 N 0.21 0.49 1.05 0.00 0.00 -1.99 0.35 103.07 103.18 2jug h GLY 8 Ca 0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 2jug h GLY 8 CO 0.03 0.11 -0.26 0.00 0.00 0.00 0.00 176.54 176.42 2jug h ALA 9 N 1.17 0.55 -0.22 3.60 0.00 -1.96 0.11 119.26 122.52 2jug h ALA 9 Ca 0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2jug h ALA 9 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jug h ALA 9 CO -0.09 0.55 0.10 1.25 0.00 0.00 0.00 179.25 181.06 2jug h LEU 10 N 0.65 0.30 -0.45 0.00 5.85 -0.93 0.69 115.31 121.42 2jug h LEU 10 Ca 0.08 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2jug h LEU 10 Cb 0.84 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2jug h LEU 10 CO 0.07 0.37 0.18 0.25 -0.34 0.00 0.00 178.44 178.97 2jug h LEU 11 N 0.22 0.62 -0.15 2.25 7.12 -0.25 -1.64 115.31 123.48 2jug h LEU 11 Ca 0.08 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.91 2jug h LEU 11 Cb 0.15 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 2jug h LEU 11 CO -0.01 0.61 0.06 0.00 -0.13 0.00 0.00 178.44 178.98 2jug h ALA 12 N 1.03 0.20 0.00 1.25 0.00 -0.55 0.11 119.26 121.30 2jug h ALA 12 Ca 0.15 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2jug h ALA 12 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2jug h ALA 12 CO -0.01 -0.23 -0.49 1.12 0.00 0.00 0.00 179.25 179.64 2jug h HIS 13 N 0.10 0.00 -0.23 0.00 2.07 -0.82 0.33 115.15 116.59 2jug h HIS 13 Ca 0.05 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.43 2jug h HIS 13 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 2jug h HIS 13 CO -0.02 0.49 -0.42 0.00 -3.07 0.00 0.00 177.93 174.91 2jug h ALA 14 N 1.51 0.36 -0.21 6.11 0.00 -1.09 -2.10 119.26 123.84 2jug h ALA 14 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2jug h ALA 14 Cb 0.96 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2jug h ALA 14 CO 0.06 0.47 -0.30 0.00 0.00 0.00 0.00 179.25 179.48 2jug h ALA 15 N 0.63 1.10 -0.54 0.00 0.00 -0.41 -0.85 119.26 119.19 2jug h ALA 15 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2jug h ALA 15 Cb 1.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2jug h ALA 15 CO 0.09 0.56 0.01 1.03 0.00 0.00 0.00 179.25 180.94 2jug h SER 16 N 0.36 0.88 1.07 0.00 0.87 -0.29 -1.99 113.55 114.44 2jug h SER 16 Ca 0.05 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.31 2jug h SER 16 Cb 0.72 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2jug h SER 16 CO 0.05 0.93 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.89 2jug h LEU 17 N 0.84 0.00 -0.13 2.23 3.38 -1.08 -3.47 115.31 117.08 2jug h LEU 17 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jug h LEU 17 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2jug h LEU 17 CO 0.02 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.50 2jug n GLY 18 N 0.46 0.92 3.73 0.83 0.00 -0.41 -4.72 105.19 106.00 2jug n GLY 18 Ca 0.01 -0.57 -0.42 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 -2.13 3.48 -0.04 1.61 1.01 -0.69 -4.72 120.40 118.92 2jug s VAL 19 Ca 0.00 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.17 2jug s VAL 19 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2jug s VAL 19 CO 0.00 0.14 -0.12 -0.13 0.00 0.00 0.00 175.10 175.00 2jug s ARG 20 N 0.31 1.32 -0.04 2.72 0.52 0.29 -4.75 118.95 119.33 2jug s ARG 20 Ca 0.58 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 2jug s ARG 20 Cb -0.34 -1.17 0.03 0.00 0.52 0.00 0.00 34.95 33.98 2jug s ARG 20 CO 0.34 0.12 -0.00 -0.51 0.02 0.00 0.00 175.30 175.27 2jug s LEU 21 N 0.29 1.01 -0.09 2.53 1.02 -1.26 -0.06 118.68 122.11 2jug s LEU 21 Ca -0.06 -0.04 -0.07 0.00 0.02 0.00 0.00 54.13 53.98 2jug s LEU 21 Cb -0.11 -0.28 0.03 0.00 0.02 0.00 0.00 46.19 45.85 2jug s LEU 21 CO 0.02 -0.12 0.24 -1.66 0.02 0.00 0.00 176.35 174.84 2jug s TRP 22 N 1.26 -0.28 -0.13 0.29 -2.14 -0.53 -4.13 118.94 113.28 2jug s TRP 22 Ca -0.06 0.68 -0.29 0.00 2.66 0.00 0.00 56.10 59.09 2jug s TRP 22 Cb -0.13 0.08 -0.01 0.00 -3.10 0.00 0.00 33.47 30.31 2jug s TRP 22 CO -0.02 -0.16 1.04 0.54 -2.66 0.00 0.00 176.95 175.69 2jug s VAL 23 N 0.47 4.71 -0.28 -0.66 0.11 -1.26 0.50 120.40 123.99 2jug s VAL 23 Ca -0.03 2.00 0.01 0.00 -2.93 0.00 0.00 61.98 61.03 2jug s VAL 23 Cb -0.04 -4.28 0.08 0.00 -1.53 0.00 0.00 36.38 30.60 2jug s VAL 23 CO -0.02 -0.04 0.01 -0.70 -3.33 0.00 0.00 175.10 171.01 2jug s GLU 24 N 2.34 1.33 6.44 1.54 2.12 -0.44 -4.90 118.70 127.13 2jug s GLU 24 Ca 0.48 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.62 2jug s GLU 24 Cb -0.18 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.65 2jug s GLU 24 CO 0.15 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 2jug n GLY 25 N 4.63 1.90 0.01 -1.50 0.00 -1.26 -2.26 105.19 106.71 2jug n GLY 25 Ca -0.06 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.08 2jug n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jug n GLU 26 N 2.90 0.64 -4.11 1.61 -0.58 -1.26 -4.95 120.64 114.88 2jug n GLU 26 Ca 0.00 -0.14 -0.35 0.00 -0.42 0.00 0.00 57.16 56.25 2jug n GLU 26 Cb 0.00 -1.40 -0.12 0.00 -0.57 0.00 0.00 31.44 29.36 2jug n GLU 26 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2jug s ARG 27 N -3.13 3.74 -0.30 3.49 3.00 -0.96 -5.06 118.95 119.73 2jug s ARG 27 Ca -0.05 -0.47 -0.29 0.00 -1.00 0.00 0.00 55.73 53.93 2jug s ARG 27 Cb 0.11 -3.10 -0.00 0.00 0.00 0.00 0.00 34.95 31.96 2jug s ARG 27 CO 0.72 0.13 1.37 -1.17 0.00 0.00 0.00 175.30 176.34 2jug s LEU 28 N 0.72 3.85 0.22 -0.88 0.20 -1.26 -1.33 118.68 120.20 2jug s LEU 28 Ca 0.01 1.23 -0.29 0.00 0.69 0.00 0.00 54.13 55.77 2jug s LEU 28 Cb -0.14 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 42.00 2jug s LEU 28 CO 0.02 -1.15 0.92 -0.13 -0.29 0.00 0.00 176.35 175.72 2jug s ARG 29 N 4.34 4.81 -0.06 1.98 1.81 0.18 -4.89 118.95 127.13 2jug s ARG 29 Ca 0.59 1.45 0.04 0.00 -1.72 0.00 0.00 55.73 56.09 2jug s ARG 29 Cb -0.18 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.04 2jug s ARG 29 CO 0.25 0.50 -0.19 0.12 -0.68 0.00 0.00 175.30 175.30 2jug s PHE 30 N -1.08 1.97 -0.18 -0.53 2.19 -1.26 -1.45 117.98 117.65 2jug s PHE 30 Ca 0.41 -0.68 -0.00 0.00 0.33 0.00 0.00 56.93 56.99 2jug s PHE 30 Cb -0.25 -1.34 0.04 0.00 -1.31 0.00 0.00 43.02 40.16 2jug s PHE 30 CO 0.31 -0.26 -0.07 -1.14 1.83 0.00 0.00 175.22 175.89 2jug s GLN 31 N 0.23 1.62 -0.06 10.12 2.00 0.91 -5.00 119.66 129.48 2jug s GLN 31 Ca -0.10 -0.64 -0.02 0.00 -2.00 0.00 0.00 55.36 52.60 2jug s GLN 31 Cb -0.14 -2.16 0.04 0.00 0.80 0.00 0.00 33.01 31.54 2jug s GLN 31 CO 0.04 -0.44 0.12 0.00 -0.50 0.00 0.00 175.29 174.51 2jug s ALA 32 N 1.55 -0.14 0.82 1.58 0.00 -1.26 -0.55 121.76 123.76 2jug s ALA 32 Ca -0.00 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.38 2jug s ALA 32 Cb -0.16 -0.48 0.09 0.00 0.00 0.00 0.00 23.12 22.57 2jug s ALA 32 CO -0.08 -0.24 1.20 -2.14 0.00 0.00 0.00 175.76 174.50 2jug s PRO 33 N 1.41 1.56 0.03 0.00 0.02 -1.26 -4.92 135.00 131.83 2jug s PRO 33 Ca -0.06 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 62.39 2jug s PRO 33 Cb -0.12 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.56 2jug s PRO 33 CO -0.05 -2.27 1.64 -1.25 -0.33 0.00 0.00 177.00 174.74 2jug s PRO 34 N -4.20 4.20 0.00 5.54 0.04 -1.26 -3.15 135.00 136.17 2jug s PRO 34 Ca 0.72 2.27 0.00 0.00 0.04 0.00 0.00 61.00 64.03 2jug s PRO 34 Cb -0.28 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2jug s PRO 34 CO 0.51 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 177.20 2jug n GLY 35 N 4.03 2.81 0.14 0.56 0.00 -1.26 -4.88 105.19 106.59 2jug n GLY 35 Ca 0.16 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.62 2jug n GLY 35 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jug h VAL 36 N 0.00 0.00 -0.16 1.61 -1.51 -1.93 -3.21 116.25 111.05 2jug h VAL 36 Ca 0.00 -0.45 -0.04 0.00 -1.23 0.00 0.00 66.70 64.98 2jug h VAL 36 Cb 0.00 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 2jug h VAL 36 CO 0.00 0.00 0.05 0.80 -1.23 0.00 0.00 177.57 177.19 2jug n MET 37 N -2.41 1.70 -1.57 5.19 0.00 -1.26 -4.70 117.12 114.07 2jug n MET 37 Ca 0.04 -0.71 -0.42 0.00 0.00 0.00 0.00 57.70 56.61 2jug n MET 37 Cb 0.36 -1.54 0.01 0.00 0.00 0.00 0.00 33.22 32.05 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 0.14 2.25 -0.10 1.12 -2.24 -1.21 -4.74 114.28 109.50 2jug n THR 38 Ca 0.09 -0.50 0.24 0.00 -2.27 0.00 0.00 64.05 61.61 2jug n THR 38 Cb 0.57 -0.97 0.70 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.39 0.01 -0.25 -0.78 0.11 -1.95 0.18 132.00 130.71 2jug h PRO 39 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2jug h PRO 39 Cb 1.35 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 2jug h PRO 39 CO 0.56 0.01 0.16 1.49 -0.21 0.00 0.00 178.00 180.01 2jug h GLU 40 N 0.01 0.34 -0.14 1.05 4.57 -1.96 -1.29 114.58 117.17 2jug h GLU 40 Ca 0.35 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.52 2jug h GLU 40 Cb 1.37 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 2jug h GLU 40 CO -0.01 0.25 0.01 1.25 -1.18 0.00 0.00 179.01 179.33 2jug h LEU 41 N 0.33 -0.04 -1.36 1.64 5.85 -0.94 -0.91 115.31 119.88 2jug h LEU 41 Ca 0.09 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2jug h LEU 41 Cb -0.01 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2jug h LEU 41 CO -0.02 0.00 0.37 -0.61 -0.34 0.00 0.00 178.44 177.84 2jug h GLN 42 N 0.06 0.80 -0.19 1.25 5.75 -1.38 0.61 115.11 122.01 2jug h GLN 42 Ca 0.06 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2jug h GLN 42 Cb 0.07 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2jug h GLN 42 CO -0.10 0.55 -0.10 1.03 -2.65 0.00 0.00 178.83 177.57 2jug h SER 43 N 0.82 0.29 0.18 -0.69 0.87 -0.40 -0.28 113.55 114.34 2jug h SER 43 Ca 0.22 -0.06 -0.31 0.00 -1.23 0.00 0.00 61.79 60.41 2jug h SER 43 Cb -0.05 -0.08 0.03 0.00 -0.44 0.00 0.00 62.40 61.87 2jug h SER 43 CO -0.04 0.42 -1.32 0.03 -0.53 0.00 0.00 176.83 175.39 2jug h ARG 44 N 0.29 0.57 -0.93 2.24 2.47 0.46 -3.09 114.38 116.39 2jug h ARG 44 Ca 0.06 -0.86 0.17 0.00 -1.26 0.00 0.00 59.98 58.09 2jug h ARG 44 Cb 0.36 0.30 -0.08 0.00 -1.65 0.00 0.00 29.97 28.90 2jug h ARG 44 CO 0.02 1.40 0.59 -0.07 0.56 0.00 0.00 179.97 182.47 2jug h LEU 45 N 0.17 0.62 0.00 3.04 3.38 0.39 -3.45 115.31 119.46 2jug h LEU 45 Ca -0.22 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2jug h LEU 45 Cb 2.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2jug h LEU 45 CO 0.25 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.67 2jug n GLY 46 N -1.43 2.98 2.39 0.83 0.00 -0.14 -3.98 105.19 105.83 2jug n GLY 46 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.43 0.63 3.81 -0.02 0.00 -1.26 -4.99 105.19 101.93 2jug n GLY 47 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.88 3.07 -0.02 4.61 0.00 -1.26 -4.98 121.76 121.30 2jug s ALA 48 Ca 0.00 0.46 -0.25 0.00 0.00 0.00 0.00 51.96 52.17 2jug s ALA 48 Cb 0.00 -3.17 -0.19 0.00 0.00 0.00 0.00 23.12 19.76 2jug s ALA 48 CO 0.00 0.09 1.21 0.07 0.00 0.00 0.00 175.76 177.13 2jug h ARG 49 N 2.22 -0.08 -0.65 0.00 0.11 -1.95 -1.83 114.38 112.20 2jug h ARG 49 Ca -0.48 0.01 0.08 0.00 0.10 0.00 0.00 59.98 59.68 2jug h ARG 49 Cb 1.19 0.02 -0.04 0.00 1.11 0.00 0.00 29.97 32.25 2jug h ARG 49 CO 0.62 0.38 0.43 1.12 0.10 0.00 0.00 179.97 182.61 2jug h HIS 50 N -0.57 0.59 -0.00 4.08 2.07 -1.99 0.39 115.15 119.71 2jug h HIS 50 Ca -0.01 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2jug h HIS 50 Cb 0.49 -0.19 -0.00 0.00 2.57 0.00 0.00 27.41 30.28 2jug h HIS 50 CO 0.08 0.30 0.00 0.93 -3.07 0.00 0.00 177.93 176.17 2jug h GLU 51 N 0.57 0.00 0.00 5.12 3.07 -1.90 -2.77 114.58 118.67 2jug h GLU 51 Ca 0.29 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.07 2jug h GLU 51 Cb 0.39 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2jug h GLU 51 CO -0.09 0.29 -0.35 -0.07 -1.40 0.00 0.00 179.01 177.40 2jug h LEU 52 N -0.29 0.00 -0.55 1.33 3.38 -0.39 -2.17 115.31 116.62 2jug h LEU 52 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jug h LEU 52 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2jug h LEU 52 CO 0.00 0.35 0.19 0.40 0.09 0.00 0.00 178.44 179.47 2jug h ILE 53 N 0.00 1.23 -0.24 1.22 2.04 -0.22 0.29 117.51 121.84 2jug h ILE 53 Ca -0.00 -0.75 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 2jug h ILE 53 Cb 1.03 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2jug h ILE 53 CO 0.04 0.28 -0.15 0.00 0.00 0.00 0.00 178.15 178.33 2jug h ALA 54 N 1.05 1.31 -0.05 1.87 0.00 -1.20 0.37 119.26 122.60 2jug h ALA 54 Ca 0.18 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2jug h ALA 54 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jug h ALA 54 CO -0.01 0.46 -0.53 1.25 0.00 0.00 0.00 179.25 180.42 2jug h LEU 55 N 0.37 0.17 0.11 0.00 7.12 -0.75 -2.56 115.31 119.78 2jug h LEU 55 Ca 0.07 -0.08 -0.29 0.00 0.13 0.00 0.00 57.88 57.71 2jug h LEU 55 Cb 0.48 -0.05 0.02 0.00 -0.53 0.00 0.00 40.66 40.58 2jug h LEU 55 CO 0.03 0.67 -1.26 0.25 -0.13 0.00 0.00 178.44 178.00 2jug h LEU 56 N 0.12 0.59 -2.01 2.25 5.85 0.07 -3.25 115.31 118.92 2jug h LEU 56 Ca 0.00 -0.59 0.13 0.00 0.84 0.00 0.00 57.88 58.25 2jug h LEU 56 Cb 0.98 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2jug h LEU 56 CO 0.08 1.45 0.32 -0.09 -0.34 0.00 0.00 178.44 179.85 2jug h ARG 57 N 0.13 0.00 -0.66 1.25 2.43 0.08 0.21 114.38 117.83 2jug h ARG 57 Ca -0.16 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.11 2jug h ARG 57 Cb 1.96 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.47 2jug h ARG 57 CO 0.22 0.00 0.44 -0.56 -1.51 0.00 0.00 179.97 178.56 2jug h GLN 58 N 0.00 0.46 -0.00 0.20 3.07 -1.50 -0.30 115.11 117.03 2jug h GLN 58 Ca 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.92 2jug h GLN 58 Cb 0.84 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.30 2jug h GLN 58 CO -0.00 0.31 -0.10 1.28 0.09 0.00 0.00 178.83 180.40 2jug n LEU 59 N -4.48 0.35 -4.69 0.06 4.77 0.74 -4.82 117.00 108.94 2jug n LEU 59 Ca 0.11 0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.79 2jug n LEU 59 Cb 0.38 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 2jug n LEU 59 CO 0.33 0.07 0.27 -1.10 -1.33 0.00 0.00 177.39 175.63 2jug s GLN 60 N -2.55 4.29 0.00 3.23 -0.21 -0.13 -4.94 119.66 119.35 2jug s GLN 60 Ca 0.27 0.55 0.00 0.00 0.02 0.00 0.00 55.36 56.20 2jug s GLN 60 Cb 0.20 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.71 2jug s GLN 60 CO 0.49 -0.02 0.89 -2.30 -2.12 0.00 0.00 175.29 172.22 2jug n PRO 61 N 4.28 0.63 -0.58 2.91 -0.02 -1.26 -4.12 135.00 136.83 2jug n PRO 61 Ca -0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.38 2jug n PRO 61 Cb 0.51 -1.19 0.15 0.00 -0.02 0.00 0.00 33.50 32.95 2jug n PRO 61 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jug n SER 62 N 1.11 3.46 -4.69 2.55 2.88 -1.26 -4.94 113.62 112.72 2jug n SER 62 Ca 0.00 -2.70 -0.42 0.00 -1.33 0.00 0.00 58.87 54.42 2jug n SER 62 Cb 0.31 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 2jug n SER 62 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jug s SER 63 N -0.30 6.43 0.00 -3.46 0.01 -1.26 -4.97 113.70 110.14 2jug s SER 63 Ca 0.30 2.75 0.00 0.00 1.31 0.00 0.00 55.95 60.31 2jug s SER 63 Cb 0.24 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2jug s SER 63 CO 0.07 -1.00 0.00 0.00 0.41 0.00 0.00 173.24 172.72 2jug n GLN 64 N 5.68 3.06 -1.90 12.44 1.13 -1.26 -5.00 117.38 131.53 2jug n GLN 64 Ca 0.18 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.86 2jug n GLN 64 Cb 0.38 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.69 2jug n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jug n GLY 65 N 4.14 2.20 6.91 1.08 0.00 -1.26 -4.81 105.19 113.45 2jug n GLY 65 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 5.16 0.63 1.22 -0.02 0.00 -1.26 -2.81 105.19 108.11 2jug n GLY 66 Ca 0.48 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2jug n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jug n SER 67 N 7.26 3.58 -4.84 1.61 2.88 -1.26 -4.95 113.62 117.89 2jug n SER 67 Ca 0.00 -1.99 -0.32 0.00 -1.33 0.00 0.00 58.87 55.23 2jug n SER 67 Cb 0.00 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.05 2jug n SER 67 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jug s LEU 68 N -1.24 3.83 0.00 2.46 2.01 -1.12 -4.98 118.68 119.64 2jug s LEU 68 Ca 0.43 1.49 0.00 0.00 0.01 0.00 0.00 54.13 56.06 2jug s LEU 68 Cb 0.24 -4.37 0.00 0.00 0.01 0.00 0.00 46.19 42.07 2jug s LEU 68 CO 0.32 -0.42 0.89 0.00 1.01 0.00 0.00 176.35 178.15 2jug n LEU 69 N -1.04 1.70 -4.74 1.79 -0.00 -1.26 -4.06 117.00 109.39 2jug n LEU 69 Ca 0.05 -1.70 -0.40 0.00 -0.00 0.00 0.00 56.01 53.96 2jug n LEU 69 Cb 0.54 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.91 2jug n LEU 69 CO 0.43 0.43 0.59 0.00 -0.00 0.00 0.00 177.39 178.84 2jug s ALA 70 N -0.80 3.31 -0.99 1.47 0.00 -1.26 -4.98 121.76 118.51 2jug s ALA 70 Ca 0.00 0.48 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 2jug s ALA 70 Cb 0.00 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.98 2jug s ALA 70 CO 0.00 0.06 1.55 -2.14 0.00 0.00 0.00 175.76 175.23 2jug s PRO 71 N -0.27 3.36 -0.11 0.00 0.02 -1.26 -4.86 135.00 131.89 2jug s PRO 71 Ca 0.43 -0.92 -0.03 0.00 0.02 0.00 0.00 61.00 60.50 2jug s PRO 71 Cb -0.23 -5.27 -0.03 0.00 0.02 0.00 0.00 34.50 28.99 2jug s PRO 71 CO 0.28 -2.46 0.02 0.54 -0.33 0.00 0.00 177.00 175.06 2jug s VAL 72 N 6.08 4.47 -0.00 3.83 0.11 -1.26 -5.05 120.40 128.58 2jug s VAL 72 Ca 0.51 -0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.34 2jug s VAL 72 Cb -0.02 -2.91 -0.02 0.00 -1.53 0.00 0.00 36.38 31.90 2jug s VAL 72 CO -0.07 0.58 0.54 0.00 -3.33 0.00 0.00 175.10 172.82 2jug h ALA 73 N 5.42 -0.52 0.00 1.54 0.00 -2.02 -3.46 119.26 120.23 2jug h ALA 73 Ca -0.48 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2jug h ALA 73 Cb 1.19 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2jug h ALA 73 CO 0.57 -0.51 -0.08 -2.13 0.00 0.00 0.00 179.25 177.10 2jug n ARG 74 N -2.68 0.55 -3.69 0.00 3.00 -1.26 -5.13 116.66 107.45 2jug n ARG 74 Ca -0.02 -1.19 -0.11 0.00 -0.00 0.00 0.00 57.85 56.54 2jug n ARG 74 Cb 0.06 -0.27 -0.11 0.00 0.00 0.00 0.00 32.46 32.13 2jug n ARG 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2jug s ASN 75 N -0.62 -0.25 0.20 6.15 4.22 -1.26 -5.05 114.94 118.33 2jug s ASN 75 Ca 0.16 0.78 -0.11 0.00 -2.14 0.00 0.00 52.86 51.55 2jug s ASN 75 Cb 0.25 0.81 0.12 0.00 1.28 0.00 0.00 41.25 43.71 2jug s ASN 75 CO -0.09 -0.20 1.81 1.23 -2.04 0.00 0.00 177.10 177.81 2jug h GLY 76 N 7.58 1.04 -5.58 0.45 0.00 -2.01 -3.41 103.07 101.14 2jug h GLY 76 Ca -0.29 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.52 2jug h GLY 76 CO 0.25 0.45 -0.40 -1.60 0.00 0.00 0.00 176.54 175.24 2jug s ARG 77 N -5.86 0.77 0.00 4.80 6.06 -1.26 -5.20 118.95 118.26 2jug s ARG 77 Ca -0.13 -0.44 0.00 0.00 -2.50 0.00 0.00 55.73 52.66 2jug s ARG 77 Cb 0.14 0.04 0.00 0.00 0.06 0.00 0.00 34.95 35.20 2jug s ARG 77 CO 0.79 -1.05 0.00 1.28 -2.50 0.00 0.00 175.30 173.82