#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 0.57 -4.52 1.61 0.11 -2.12 -3.36 132.00 124.29 2jug h PRO 2 Ca 0.00 -0.07 -0.72 0.00 0.11 0.00 0.00 66.00 65.32 2jug h PRO 2 Cb 0.00 -0.11 -0.21 0.00 0.11 0.00 0.00 31.00 30.79 2jug h PRO 2 CO 0.00 0.48 -0.03 -1.17 -0.21 0.00 0.00 178.00 177.07 2jug s LEU 3 N -9.95 5.59 -0.29 2.35 2.96 -1.26 -4.97 118.68 113.11 2jug s LEU 3 Ca -0.13 -1.46 0.02 0.00 -0.22 0.00 0.00 54.13 52.34 2jug s LEU 3 Cb 0.10 -2.28 0.18 0.00 0.50 0.00 0.00 46.19 44.69 2jug s LEU 3 CO 0.74 -0.98 0.52 -0.83 -1.32 0.00 0.00 176.35 174.49 2jug s GLY 4 N 3.42 -0.92 0.00 7.98 0.00 -1.26 -5.09 107.32 111.45 2jug s GLY 4 Ca 0.09 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.88 2jug s GLY 4 CO 0.06 3.32 0.67 1.44 0.00 0.00 0.00 173.10 178.59 2jug n SER 5 N 5.40 0.00 -3.21 1.64 7.64 -1.26 -4.90 113.62 118.94 2jug n SER 5 Ca 0.01 0.67 0.04 0.00 1.01 0.00 0.00 58.87 60.60 2jug n SER 5 Cb 0.52 -0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 2jug n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jug s SER 6 N -2.07 -0.82 -0.08 6.43 0.15 -1.26 -5.04 113.70 111.01 2jug s SER 6 Ca 0.00 0.61 -0.02 0.00 0.70 0.00 0.00 55.95 57.24 2jug s SER 6 Cb 0.00 1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 66.00 2jug s SER 6 CO 0.00 -0.15 -0.09 0.00 1.20 0.00 0.00 173.24 174.20 2jug n ALA 7 N 5.39 2.26 -0.21 5.45 0.00 -1.26 -4.51 120.51 127.63 2jug n ALA 7 Ca -0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 2jug n ALA 7 Cb 0.52 0.38 0.04 0.00 0.00 0.00 0.00 19.45 20.39 2jug n ALA 7 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jug h GLY 8 N 0.03 0.84 1.01 0.00 0.00 -1.99 0.69 103.07 103.65 2jug h GLY 8 Ca -0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2jug h GLY 8 CO -0.08 0.28 0.39 0.00 0.00 0.00 0.00 176.54 177.12 2jug h ALA 9 N 1.23 0.91 -0.23 3.60 0.00 -1.98 0.17 119.26 122.95 2jug h ALA 9 Ca 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jug h ALA 9 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2jug h ALA 9 CO -0.07 0.43 0.05 1.25 0.00 0.00 0.00 179.25 180.91 2jug h LEU 10 N 0.98 0.36 0.04 0.00 5.85 -1.65 -0.99 115.31 119.90 2jug h LEU 10 Ca 0.25 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2jug h LEU 10 Cb 0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2jug h LEU 10 CO -0.04 0.51 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.44 2jug h LEU 11 N 0.20 -0.18 -0.09 2.25 3.38 -0.68 -2.14 115.31 118.06 2jug h LEU 11 Ca 0.07 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2jug h LEU 11 Cb 0.30 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2jug h LEU 11 CO 0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 178.44 178.38 2jug h ALA 12 N 0.82 0.03 0.00 1.53 0.00 -0.51 0.38 119.26 121.51 2jug h ALA 12 Ca 0.01 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2jug h ALA 12 Cb 0.15 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jug h ALA 12 CO -0.04 -0.51 -0.47 1.12 0.00 0.00 0.00 179.25 179.34 2jug h HIS 13 N -0.05 0.00 0.10 0.00 2.07 -1.17 0.54 115.15 116.65 2jug h HIS 13 Ca 0.05 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.30 2jug h HIS 13 Cb 0.13 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.13 2jug h HIS 13 CO -0.16 0.47 -1.14 0.00 -3.07 0.00 0.00 177.93 174.03 2jug h ALA 14 N 1.53 -0.00 -0.47 6.11 0.00 -0.96 -2.97 119.26 122.49 2jug h ALA 14 Ca -0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.07 2jug h ALA 14 Cb 0.95 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2jug h ALA 14 CO 0.06 0.62 -0.09 0.00 0.00 0.00 0.00 179.25 179.85 2jug h ALA 15 N 0.28 0.97 0.00 0.00 0.00 -0.05 -0.25 119.26 120.20 2jug h ALA 15 Ca -0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2jug h ALA 15 Cb 1.82 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 2jug h ALA 15 CO 0.22 0.61 -0.14 1.03 0.00 0.00 0.00 179.25 180.98 2jug h SER 16 N 0.76 0.00 1.14 0.00 0.87 -0.96 -1.48 113.55 113.88 2jug h SER 16 Ca 0.13 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 2jug h SER 16 Cb 0.58 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2jug h SER 16 CO 0.04 0.14 -0.90 -0.07 -0.53 0.00 0.00 176.83 175.50 2jug h LEU 17 N 0.00 0.00 0.00 2.23 3.38 -1.27 -0.21 115.31 119.45 2jug h LEU 17 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jug h LEU 17 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jug h LEU 17 CO 0.02 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2jug n GLY 18 N 1.30 1.05 3.63 0.83 0.00 -0.49 -4.62 105.19 106.90 2jug n GLY 18 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 3.79 -0.04 1.61 1.01 -0.23 -4.40 120.40 120.15 2jug s VAL 19 Ca 0.00 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.90 2jug s VAL 19 Cb 0.00 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2jug s VAL 19 CO 0.00 -0.32 -0.10 -0.13 0.00 0.00 0.00 175.10 174.55 2jug s ARG 20 N 4.54 1.17 -0.05 2.72 0.52 0.49 -4.51 118.95 123.83 2jug s ARG 20 Ca 0.68 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.58 2jug s ARG 20 Cb -0.23 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.19 2jug s ARG 20 CO 0.28 0.09 -0.13 -0.51 0.02 0.00 0.00 175.30 175.05 2jug s LEU 21 N 0.33 1.77 -0.03 2.53 1.02 -1.26 0.31 118.68 123.35 2jug s LEU 21 Ca -0.06 -0.28 -0.18 0.00 0.02 0.00 0.00 54.13 53.62 2jug s LEU 21 Cb -0.11 -0.80 0.03 0.00 0.02 0.00 0.00 46.19 45.34 2jug s LEU 21 CO 0.01 0.08 0.40 -1.66 0.02 0.00 0.00 176.35 175.20 2jug s TRP 22 N 0.32 -0.30 -0.10 0.29 -2.14 -0.70 -4.26 118.94 112.04 2jug s TRP 22 Ca -0.08 0.52 -0.22 0.00 2.66 0.00 0.00 56.10 58.98 2jug s TRP 22 Cb -0.12 0.17 -0.03 0.00 -3.10 0.00 0.00 33.47 30.38 2jug s TRP 22 CO 0.02 -0.42 0.65 0.54 -2.66 0.00 0.00 176.95 175.08 2jug s VAL 23 N -1.16 5.06 -0.19 -0.66 0.11 -1.26 0.68 120.40 122.98 2jug s VAL 23 Ca -0.12 1.32 -0.02 0.00 -2.93 0.00 0.00 61.98 60.23 2jug s VAL 23 Cb -0.04 -3.99 0.06 0.00 -1.53 0.00 0.00 36.38 30.88 2jug s VAL 23 CO 0.05 0.24 0.01 -0.70 -3.33 0.00 0.00 175.10 171.37 2jug s GLU 24 N 0.99 0.87 4.29 1.54 2.12 0.12 -4.92 118.70 123.72 2jug s GLU 24 Ca 0.34 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.18 2jug s GLU 24 Cb -0.17 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 32.10 2jug s GLU 24 CO 0.15 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.68 2jug n GLY 25 N 4.98 1.37 0.10 -1.50 0.00 -1.26 -1.97 105.19 106.90 2jug n GLY 25 Ca -0.10 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 1.94 -4.11 1.61 0.28 -1.26 -5.05 120.64 114.04 2jug n GLU 26 Ca 0.00 -0.45 -0.14 0.00 -0.16 0.00 0.00 57.16 56.41 2jug n GLU 26 Cb 0.00 -0.92 -0.11 0.00 1.43 0.00 0.00 31.44 31.84 2jug n GLU 26 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2jug s ARG 27 N -0.70 0.67 0.05 3.44 6.06 -0.83 -5.13 118.95 122.51 2jug s ARG 27 Ca 0.03 -0.93 -0.29 0.00 -2.50 0.00 0.00 55.73 52.04 2jug s ARG 27 Cb 0.03 -0.41 -0.05 0.00 0.06 0.00 0.00 34.95 34.58 2jug s ARG 27 CO 0.08 0.07 0.94 -1.17 -2.50 0.00 0.00 175.30 172.72 2jug s LEU 28 N -1.93 4.44 -0.10 -0.88 0.20 -1.26 0.15 118.68 119.29 2jug s LEU 28 Ca -0.03 1.68 -0.07 0.00 0.69 0.00 0.00 54.13 56.39 2jug s LEU 28 Cb -0.07 -3.52 -0.04 0.00 -0.43 0.00 0.00 46.19 42.13 2jug s LEU 28 CO 0.00 -0.13 0.16 -0.13 -0.29 0.00 0.00 176.35 175.95 2jug s ARG 29 N 0.41 3.46 -0.08 1.98 3.00 0.21 -4.90 118.95 123.03 2jug s ARG 29 Ca 0.47 -0.12 0.04 0.00 0.00 0.00 0.00 55.73 56.12 2jug s ARG 29 Cb -0.22 -3.18 0.00 0.00 0.00 0.00 0.00 34.95 31.55 2jug s ARG 29 CO 0.28 0.77 -0.21 0.12 0.00 0.00 0.00 175.30 176.25 2jug s PHE 30 N -1.06 2.28 -0.16 -0.53 2.19 -1.26 -1.72 117.98 117.71 2jug s PHE 30 Ca 0.17 -0.88 0.01 0.00 0.33 0.00 0.00 56.93 56.56 2jug s PHE 30 Cb -0.12 -1.54 0.02 0.00 -1.31 0.00 0.00 43.02 40.07 2jug s PHE 30 CO 0.06 -0.35 -0.16 -1.14 1.83 0.00 0.00 175.22 175.45 2jug s GLN 31 N 0.32 2.54 -0.19 10.12 2.00 0.15 -4.99 119.66 129.62 2jug s GLN 31 Ca -0.15 -0.68 -0.10 0.00 -2.00 0.00 0.00 55.36 52.42 2jug s GLN 31 Cb -0.17 -2.30 0.07 0.00 0.80 0.00 0.00 33.01 31.41 2jug s GLN 31 CO 0.07 -0.24 0.46 0.00 -0.50 0.00 0.00 175.29 175.08 2jug s ALA 32 N 1.41 -1.21 0.75 1.58 0.00 -1.26 -0.38 121.76 122.65 2jug s ALA 32 Ca 0.05 1.69 -0.15 0.00 0.00 0.00 0.00 51.96 53.55 2jug s ALA 32 Cb -0.13 -1.05 0.05 0.00 0.00 0.00 0.00 23.12 21.99 2jug s ALA 32 CO -0.11 -0.33 1.21 -2.14 0.00 0.00 0.00 175.76 174.39 2jug s PRO 33 N 1.55 1.98 -0.01 0.00 0.02 -1.26 -4.94 135.00 132.35 2jug s PRO 33 Ca -0.09 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 2jug s PRO 33 Cb -0.08 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 2jug s PRO 33 CO -0.14 -1.96 1.58 -1.25 -0.33 0.00 0.00 177.00 174.90 2jug s PRO 34 N -3.95 4.21 0.00 5.54 0.04 -1.26 -3.03 135.00 136.54 2jug s PRO 34 Ca 0.75 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.94 2jug s PRO 34 Cb -0.30 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.46 2jug s PRO 34 CO 0.47 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2jug n GLY 35 N 3.97 2.10 0.06 0.56 0.00 -1.26 -4.89 105.19 105.73 2jug n GLY 35 Ca 0.16 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.38 0.84 1.61 0.24 -1.17 -3.75 118.33 116.48 2jug n VAL 36 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2jug n VAL 36 Cb 0.00 -0.57 0.03 0.00 -1.47 0.00 0.00 33.84 31.83 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 -1.96 1.28 -1.60 7.34 0.00 -1.26 -4.79 117.12 116.13 2jug n MET 37 Ca 0.06 -0.25 -0.45 0.00 0.00 0.00 0.00 57.70 57.06 2jug n MET 37 Cb 0.39 -1.48 -0.02 0.00 0.00 0.00 0.00 33.22 32.11 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 0.10 1.90 -0.34 1.12 -2.24 -1.25 -4.68 114.28 108.90 2jug n THR 38 Ca 0.03 -0.48 0.21 0.00 -2.27 0.00 0.00 64.05 61.54 2jug n THR 38 Cb 0.37 -1.04 0.44 0.00 -2.10 0.00 0.00 70.33 68.00 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 2.17 0.45 -0.76 -0.78 0.11 -1.96 0.26 132.00 131.50 2jug h PRO 39 Ca -0.40 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 2jug h PRO 39 Cb 1.33 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2jug h PRO 39 CO 0.62 0.30 0.31 1.49 -0.21 0.00 0.00 178.00 180.51 2jug h GLU 40 N 0.46 1.13 -0.82 1.05 4.81 -1.97 -1.17 114.58 118.07 2jug h GLU 40 Ca 0.67 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.66 2jug h GLU 40 Cb 1.45 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 2jug h GLU 40 CO -0.49 0.91 0.35 1.25 -0.73 0.00 0.00 179.01 180.30 2jug h LEU 41 N 1.09 1.11 -0.75 1.64 5.85 -0.81 -0.90 115.31 122.55 2jug h LEU 41 Ca 0.25 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2jug h LEU 41 Cb 0.20 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2jug h LEU 41 CO -0.02 0.97 0.13 1.56 -0.34 0.00 0.00 178.44 180.73 2jug h GLN 42 N 1.18 1.08 0.00 1.25 4.20 -0.99 0.26 115.11 122.09 2jug h GLN 42 Ca 0.28 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2jug h GLN 42 Cb 0.19 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2jug h GLN 42 CO -0.03 0.98 -0.33 1.03 -0.67 0.00 0.00 178.83 179.81 2jug h SER 43 N 1.02 0.00 0.07 1.46 0.87 -0.70 -0.06 113.55 116.21 2jug h SER 43 Ca 0.21 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.52 2jug h SER 43 Cb 0.40 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2jug h SER 43 CO 0.01 0.33 -0.94 0.03 -0.53 0.00 0.00 176.83 175.72 2jug h ARG 44 N 0.00 0.64 -0.67 2.24 3.08 -0.30 -3.16 114.38 116.21 2jug h ARG 44 Ca -0.00 -0.63 0.07 0.00 0.07 0.00 0.00 59.98 59.49 2jug h ARG 44 Cb 0.59 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 2jug h ARG 44 CO 0.04 1.24 0.34 -0.07 -1.07 0.00 0.00 179.97 180.45 2jug h LEU 45 N 0.38 0.47 0.00 3.04 3.38 0.28 -3.45 115.31 119.41 2jug h LEU 45 Ca -0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jug h LEU 45 Cb 1.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2jug h LEU 45 CO 0.18 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.61 2jug n GLY 46 N -1.29 2.90 2.31 0.83 0.00 -0.11 -3.75 105.19 106.08 2jug n GLY 46 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.35 0.65 3.84 -0.02 0.00 -1.26 -4.99 105.19 102.05 2jug n GLY 47 Ca 0.00 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.56 3.30 0.00 4.61 0.00 -1.25 -4.98 121.76 120.89 2jug s ALA 48 Ca 0.00 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.81 2jug s ALA 48 Cb 0.00 -2.82 -0.18 0.00 0.00 0.00 0.00 23.12 20.12 2jug s ALA 48 CO 0.00 0.31 1.31 0.07 0.00 0.00 0.00 175.76 177.45 2jug h ARG 49 N 2.31 -0.14 -0.96 0.00 0.11 -1.95 -0.78 114.38 112.97 2jug h ARG 49 Ca -0.48 0.01 0.07 0.00 0.10 0.00 0.00 59.98 59.68 2jug h ARG 49 Cb 1.18 0.03 -0.06 0.00 1.11 0.00 0.00 29.97 32.22 2jug h ARG 49 CO 0.65 0.22 0.62 1.12 0.10 0.00 0.00 179.97 182.68 2jug h HIS 50 N -0.51 1.13 0.51 4.08 2.07 -1.99 0.27 115.15 120.70 2jug h HIS 50 Ca -0.01 0.03 -0.03 0.00 -2.85 0.00 0.00 60.37 57.51 2jug h HIS 50 Cb 0.42 -0.37 0.01 0.00 2.57 0.00 0.00 27.41 30.03 2jug h HIS 50 CO 0.05 0.58 -0.25 0.93 -3.07 0.00 0.00 177.93 176.17 2jug h GLU 51 N 1.10 -0.66 0.00 5.12 3.07 -1.90 -2.91 114.58 118.40 2jug h GLU 51 Ca 0.42 0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.25 2jug h GLU 51 Cb 0.20 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2jug h GLU 51 CO -0.16 -0.38 -0.34 -0.07 -1.40 0.00 0.00 179.01 176.65 2jug h LEU 52 N -0.83 0.00 0.21 1.33 3.38 -0.45 0.17 115.31 119.12 2jug h LEU 52 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2jug h LEU 52 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2jug h LEU 52 CO 0.12 0.34 -0.10 0.40 0.09 0.00 0.00 178.44 179.29 2jug h ILE 53 N 0.00 0.83 -0.06 1.22 2.04 -0.48 0.18 117.51 121.24 2jug h ILE 53 Ca -0.00 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 2jug h ILE 53 Cb 0.78 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2jug h ILE 53 CO 0.04 0.05 -0.40 0.00 0.00 0.00 0.00 178.15 177.85 2jug h ALA 54 N 0.39 1.23 0.00 1.87 0.00 -1.27 -0.66 119.26 120.81 2jug h ALA 54 Ca -0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2jug h ALA 54 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2jug h ALA 54 CO 0.05 0.54 -0.40 1.25 0.00 0.00 0.00 179.25 180.69 2jug h LEU 55 N 0.11 0.00 0.06 0.00 7.12 -0.40 -1.82 115.31 120.39 2jug h LEU 55 Ca 0.01 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.76 2jug h LEU 55 Cb 0.75 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.86 2jug h LEU 55 CO 0.06 0.40 -1.31 0.25 -0.13 0.00 0.00 178.44 177.70 2jug h LEU 56 N 0.00 0.21 -2.70 2.25 5.85 -0.31 -3.32 115.31 117.29 2jug h LEU 56 Ca -0.00 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2jug h LEU 56 Cb 0.73 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2jug h LEU 56 CO 0.05 1.22 -0.01 0.03 -0.34 0.00 0.00 178.44 179.39 2jug h ARG 57 N 0.04 0.00 0.00 1.25 3.08 -0.29 0.35 114.38 118.81 2jug h ARG 57 Ca -0.15 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2jug h ARG 57 Cb 1.92 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.97 2jug h ARG 57 CO 0.15 0.01 -0.12 -0.56 -1.07 0.00 0.00 179.97 178.38 2jug h GLN 58 N 0.00 0.00 0.00 0.04 -0.00 -1.54 -2.51 115.11 111.10 2jug h GLN 58 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 2jug h GLN 58 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.51 2jug h GLN 58 CO 0.00 0.12 -0.53 1.25 -0.00 0.00 0.00 178.83 179.67 2jug h LEU 59 N 0.00 0.00-10.02 0.06 6.46 -0.48 -3.44 115.31 107.88 2jug h LEU 59 Ca -0.00 0.00 -0.51 0.00 -0.12 0.00 0.00 57.88 57.25 2jug h LEU 59 Cb 0.55 0.00 0.08 0.00 -0.73 0.00 0.00 40.66 40.56 2jug h LEU 59 CO 0.02 0.53 0.50 -1.10 -0.62 0.00 0.00 178.44 177.76 2jug s GLN 60 N -3.44 3.59 -0.98 1.25 -0.21 -0.95 -4.87 119.66 114.06 2jug s GLN 60 Ca 0.00 1.82 -0.26 0.00 0.02 0.00 0.00 55.36 56.95 2jug s GLN 60 Cb 0.11 -2.32 -0.16 0.00 1.00 0.00 0.00 33.01 31.64 2jug s GLN 60 CO 0.73 -0.70 2.17 -2.14 -2.12 0.00 0.00 175.29 173.23 2jug s PRO 61 N -2.82 1.65 0.09 2.91 0.02 -1.26 -4.25 135.00 131.34 2jug s PRO 61 Ca 0.66 -0.21 0.00 0.00 0.02 0.00 0.00 61.00 61.47 2jug s PRO 61 Cb -0.30 -4.96 0.00 0.00 0.02 0.00 0.00 34.50 29.26 2jug s PRO 61 CO 0.36 -4.71 0.00 0.45 -0.33 0.00 0.00 177.00 172.76 2jug n SER 62 N 18.00 0.00 -3.83 2.53 2.88 -1.26 -5.13 113.62 126.81 2jug n SER 62 Ca 0.43 0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 58.00 2jug n SER 62 Cb 0.46 0.10 -0.13 0.00 -0.75 0.00 0.00 64.21 63.89 2jug n SER 62 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jug s SER 63 N -4.48 -0.12 0.17 -3.46 0.15 -1.26 -5.16 113.70 99.54 2jug s SER 63 Ca 0.00 0.22 0.10 0.00 0.70 0.00 0.00 55.95 56.97 2jug s SER 63 Cb 0.00 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 2jug s SER 63 CO 0.00 -0.05 -0.22 -1.10 1.20 0.00 0.00 173.24 173.07 2jug s GLN 64 N 0.02 1.40 0.07 5.44 -1.52 -1.26 -4.87 119.66 118.94 2jug s GLN 64 Ca -0.00 -1.45 -0.01 0.00 -1.95 0.00 0.00 55.36 51.95 2jug s GLN 64 Cb -0.01 -1.65 -0.04 0.00 -0.22 0.00 0.00 33.01 31.09 2jug s GLN 64 CO 0.00 0.36 -0.02 0.20 -0.25 0.00 0.00 175.29 175.58 2jug s GLY 65 N -2.57 0.60 -0.30 3.09 0.00 -1.26 -5.07 107.32 101.81 2jug s GLY 65 Ca 0.18 -1.28 -0.05 0.00 0.00 0.00 0.00 44.72 43.57 2jug s GLY 65 CO 0.08 -1.35 0.68 -0.32 0.00 0.00 0.00 173.10 172.19 2jug s GLY 66 N -2.96 -0.84 0.00 0.20 0.00 -1.24 -4.58 107.32 97.91 2jug s GLY 66 Ca 0.11 2.11 0.26 0.00 0.00 0.00 0.00 44.72 47.19 2jug s GLY 66 CO -0.07 3.35 1.46 1.44 0.00 0.00 0.00 173.10 179.28 2jug n SER 67 N 5.42 1.57 0.00 1.64 7.64 -0.09 -4.99 113.62 124.81 2jug n SER 67 Ca -0.04 -1.29 0.00 0.00 1.01 0.00 0.00 58.87 58.55 2jug n SER 67 Cb 0.51 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 2jug n SER 67 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jug n LEU 68 N -0.11 0.00 -3.56 -3.43 7.99 -1.26 -4.71 117.00 111.93 2jug n LEU 68 Ca 0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 56.05 2jug n LEU 68 Cb 0.40 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.70 2jug n LEU 68 CO 0.23 0.00 0.65 -1.48 -1.51 0.00 0.00 177.39 175.28 2jug s LEU 69 N 0.00 -0.35 -0.07 2.23 0.05 -1.26 -5.06 118.68 114.22 2jug s LEU 69 Ca 0.00 -0.11 -0.00 0.00 0.05 0.00 0.00 54.13 54.07 2jug s LEU 69 Cb 0.00 2.15 0.02 0.00 -2.05 0.00 0.00 46.19 46.32 2jug s LEU 69 CO 0.00 -0.75 -0.04 0.00 -0.55 0.00 0.00 176.35 175.01 2jug s ALA 70 N -3.26 0.88 0.00 1.48 0.00 -1.26 -5.03 121.76 114.57 2jug s ALA 70 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2jug s ALA 70 Cb -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.43 2jug s ALA 70 CO -0.07 -0.28 1.37 -2.30 0.00 0.00 0.00 175.76 174.48 2jug n PRO 71 N 4.69 0.86 -2.35 0.00 -0.02 -1.26 -4.80 135.00 132.13 2jug n PRO 71 Ca -0.14 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.98 2jug n PRO 71 Cb 0.50 -1.07 -0.04 0.00 -0.02 0.00 0.00 33.50 32.88 2jug n PRO 71 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jug s VAL 72 N 0.22 3.76 0.63 -1.45 0.11 -1.26 -4.95 120.40 117.46 2jug s VAL 72 Ca 0.00 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2jug s VAL 72 Cb 0.00 -4.70 0.08 0.00 -1.53 0.00 0.00 36.38 30.23 2jug s VAL 72 CO 0.00 -1.54 0.88 0.00 -3.33 0.00 0.00 175.10 171.10 2jug s ALA 73 N 7.09 3.82 -1.25 1.54 0.00 -1.26 -4.97 121.76 126.73 2jug s ALA 73 Ca 0.57 -1.52 -0.19 0.00 0.00 0.00 0.00 51.96 50.82 2jug s ALA 73 Cb -0.02 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2jug s ALA 73 CO -0.02 -1.08 1.86 2.89 0.00 0.00 0.00 175.76 179.41 2jug n ARG 74 N -2.57 2.55 -0.09 0.00 1.85 -1.26 -4.63 116.66 112.51 2jug n ARG 74 Ca 0.11 -2.87 -0.19 0.00 -1.00 0.00 0.00 57.85 53.90 2jug n ARG 74 Cb 0.60 -3.52 -0.11 0.00 -1.05 0.00 0.00 32.46 28.38 2jug n ARG 74 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 2jug h ASN 75 N 8.13 0.00 -4.43 2.89 -1.24 -1.98 -3.51 115.58 115.43 2jug h ASN 75 Ca 0.39 -0.62 0.00 0.00 0.71 0.00 0.00 56.30 56.78 2jug h ASN 75 Cb 0.86 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.91 2jug h ASN 75 CO 1.45 1.33 0.00 0.61 -1.29 0.00 0.00 177.43 179.53 2jug n GLY 76 N 1.49 -0.51 1.96 1.57 0.00 -1.26 -4.64 105.19 103.80 2jug n GLY 76 Ca -0.25 -1.66 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 2jug n GLY 76 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jug n ARG 77 N -0.31 2.02 0.00 1.61 1.85 -1.26 -5.23 116.66 115.34 2jug n ARG 77 Ca 0.00 -2.21 0.16 0.00 -1.00 0.00 0.00 57.85 54.80 2jug n ARG 77 Cb 0.00 -1.87 0.93 0.00 -1.05 0.00 0.00 32.46 30.48 2jug n ARG 77 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51