#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 -1.49 0.02 1.61 -0.02 -1.26 -4.96 135.00 128.90 2jug n PRO 2 Ca 0.00 -1.71 0.13 0.00 -2.02 0.00 0.00 63.50 59.91 2jug n PRO 2 Cb 0.00 -1.22 0.56 0.00 -0.02 0.00 0.00 33.50 32.82 2jug n PRO 2 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jug n LEU 3 N 0.00 0.13 -4.57 2.45 4.77 -1.26 -4.78 117.00 113.74 2jug n LEU 3 Ca 0.14 0.51 -0.28 0.00 -0.03 0.00 0.00 56.01 56.36 2jug n LEU 3 Cb 0.50 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 2jug n LEU 3 CO 0.36 -0.05 -0.41 -0.83 -1.33 0.00 0.00 177.39 175.12 2jug s GLY 4 N -3.09 1.74 -0.71 -0.72 0.00 -1.26 -5.05 107.32 98.23 2jug s GLY 4 Ca 0.13 -1.39 -0.26 0.00 0.00 0.00 0.00 44.72 43.20 2jug s GLY 4 CO 0.52 -1.40 2.03 -0.56 0.00 0.00 0.00 173.10 173.69 2jug s SER 5 N -2.61 4.95 -0.04 1.64 0.01 -1.26 -4.83 113.70 111.55 2jug s SER 5 Ca 0.23 0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.26 2jug s SER 5 Cb -0.10 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.71 2jug s SER 5 CO 0.15 -2.75 1.07 -0.94 0.41 0.00 0.00 173.24 171.18 2jug s SER 6 N 8.98 -0.21 0.00 2.44 1.04 -1.26 -4.99 113.70 119.70 2jug s SER 6 Ca 0.75 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.09 2jug s SER 6 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2jug s SER 6 CO 0.13 -0.49 0.00 0.00 0.98 0.00 0.00 173.24 173.86 2jug n ALA 7 N -0.27 0.00 -0.18 5.32 0.00 -1.26 -4.43 120.51 119.68 2jug n ALA 7 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 2jug n ALA 7 Cb 0.61 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 0.75 1.01 0.00 0.00 -1.94 0.24 103.07 103.13 2jug h GLY 8 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.07 2jug h GLY 8 CO 0.00 0.25 0.62 0.00 0.00 0.00 0.00 176.54 177.40 2jug h ALA 9 N 1.21 1.19 -0.16 3.60 0.00 -1.95 0.49 119.26 123.64 2jug h ALA 9 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2jug h ALA 9 Cb -0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.36 2jug h ALA 9 CO -0.06 0.60 -0.06 1.25 0.00 0.00 0.00 179.25 180.97 2jug h LEU 10 N 1.28 0.33 -0.51 0.00 5.85 -1.76 -1.76 115.31 118.73 2jug h LEU 10 Ca 0.34 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2jug h LEU 10 Cb -0.14 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2jug h LEU 10 CO -0.07 0.65 0.31 0.25 -0.34 0.00 0.00 178.44 179.23 2jug h LEU 11 N 0.01 0.62 0.03 2.25 7.12 -0.26 -1.66 115.31 123.43 2jug h LEU 11 Ca 0.04 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2jug h LEU 11 Cb 0.51 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2jug h LEU 11 CO 0.02 0.50 -0.02 0.00 -0.13 0.00 0.00 178.44 178.81 2jug h ALA 12 N 1.15 -0.05 0.00 1.25 0.00 0.05 0.37 119.26 122.03 2jug h ALA 12 Ca 0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 2jug h ALA 12 Cb -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jug h ALA 12 CO -0.03 -0.53 -0.47 1.12 0.00 0.00 0.00 179.25 179.34 2jug h HIS 13 N -0.06 0.00 -0.14 0.00 2.07 -1.25 0.86 115.15 116.64 2jug h HIS 13 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2jug h HIS 13 Cb 0.05 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.03 2jug h HIS 13 CO -0.09 0.47 -0.16 0.00 -3.07 0.00 0.00 177.93 175.08 2jug h ALA 14 N 1.53 0.21 -0.47 6.11 0.00 -1.01 -2.29 119.26 123.34 2jug h ALA 14 Ca -0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2jug h ALA 14 Cb 0.96 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2jug h ALA 14 CO 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.38 2jug h ALA 15 N 0.59 1.05 -0.62 0.00 0.00 -0.70 0.19 119.26 119.78 2jug h ALA 15 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2jug h ALA 15 Cb 0.71 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2jug h ALA 15 CO 0.04 0.59 0.40 1.03 0.00 0.00 0.00 179.25 181.31 2jug h SER 16 N 0.74 0.70 1.37 0.00 0.87 -0.79 -2.53 113.55 113.90 2jug h SER 16 Ca 0.14 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 2jug h SER 16 Cb 0.51 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2jug h SER 16 CO 0.03 0.50 -0.64 -0.07 -0.53 0.00 0.00 176.83 176.11 2jug h LEU 17 N 0.82 0.00 -0.05 2.23 3.38 -1.20 -3.48 115.31 117.02 2jug h LEU 17 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jug h LEU 17 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jug h LEU 17 CO -0.06 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.65 2jug n GLY 18 N 1.26 1.27 3.62 0.83 0.00 0.53 -4.55 105.19 108.14 2jug n GLY 18 Ca 0.01 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.05 4.02 -0.06 1.61 1.01 -0.40 -4.37 120.40 120.15 2jug s VAL 19 Ca 0.00 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.13 2jug s VAL 19 Cb 0.00 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 2jug s VAL 19 CO 0.00 -0.59 -0.20 -0.13 0.00 0.00 0.00 175.10 174.18 2jug s ARG 20 N 4.52 2.26 -0.06 2.72 0.52 0.57 -4.72 118.95 124.75 2jug s ARG 20 Ca 0.59 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 2jug s ARG 20 Cb -0.16 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.47 2jug s ARG 20 CO 0.27 0.24 -0.06 -0.51 0.02 0.00 0.00 175.30 175.27 2jug s LEU 21 N 0.13 1.29 -0.08 2.53 1.02 -1.26 -0.13 118.68 122.18 2jug s LEU 21 Ca -0.08 -0.18 -0.15 0.00 0.02 0.00 0.00 54.13 53.73 2jug s LEU 21 Cb -0.14 -0.58 0.03 0.00 0.02 0.00 0.00 46.19 45.53 2jug s LEU 21 CO 0.04 -0.06 0.37 -1.66 0.02 0.00 0.00 176.35 175.06 2jug s TRP 22 N 1.08 -0.33 -0.15 0.29 -2.14 -0.84 -4.27 118.94 112.58 2jug s TRP 22 Ca -0.08 0.69 -0.17 0.00 2.66 0.00 0.00 56.10 59.20 2jug s TRP 22 Cb -0.14 0.14 -0.04 0.00 -3.10 0.00 0.00 33.47 30.33 2jug s TRP 22 CO -0.01 -0.32 0.42 0.54 -2.66 0.00 0.00 176.95 174.93 2jug s VAL 23 N -0.61 5.21 -0.27 -0.66 0.11 -1.26 0.75 120.40 123.68 2jug s VAL 23 Ca -0.07 0.82 0.02 0.00 -2.93 0.00 0.00 61.98 59.82 2jug s VAL 23 Cb -0.04 -3.76 0.07 0.00 -1.53 0.00 0.00 36.38 31.12 2jug s VAL 23 CO 0.03 0.32 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.39 2jug s GLU 24 N 0.76 1.68 5.46 1.54 2.56 0.22 -4.91 118.70 126.01 2jug s GLU 24 Ca 0.23 -1.30 0.00 0.00 0.00 0.00 0.00 54.97 53.89 2jug s GLU 24 Cb -0.15 -2.76 0.00 0.00 2.00 0.00 0.00 34.13 33.22 2jug s GLU 24 CO 0.08 -0.70 0.00 0.41 -0.56 0.00 0.00 175.26 174.49 2jug n GLY 25 N 4.52 1.47 0.06 -1.50 0.00 -1.26 -1.89 105.19 106.59 2jug n GLY 25 Ca -0.08 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 3.71 -3.63 1.61 0.00 -1.26 -4.97 120.64 116.10 2jug n GLU 26 Ca 0.00 -0.25 -0.38 0.00 0.00 0.00 0.00 57.16 56.53 2jug n GLU 26 Cb 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 31.44 30.50 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 -1.07 3.66 -0.14 3.44 6.06 -0.79 -5.05 118.95 125.07 2jug s ARG 27 Ca 0.03 -0.50 -0.29 0.00 -2.50 0.00 0.00 55.73 52.46 2jug s ARG 27 Cb 0.03 -3.59 -0.03 0.00 0.06 0.00 0.00 34.95 31.42 2jug s ARG 27 CO 0.13 -0.28 1.52 -1.17 -2.50 0.00 0.00 175.30 173.00 2jug s LEU 28 N 1.69 4.16 -0.07 -0.88 0.20 -1.26 -0.61 118.68 121.90 2jug s LEU 28 Ca 0.06 1.89 -0.24 0.00 0.69 0.00 0.00 54.13 56.53 2jug s LEU 28 Cb -0.16 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.03 2jug s LEU 28 CO 0.08 -0.96 0.74 -0.13 -0.29 0.00 0.00 176.35 175.79 2jug s ARG 29 N 4.04 4.43 -0.12 1.98 1.81 0.23 -4.93 118.95 126.39 2jug s ARG 29 Ca 0.67 0.94 0.01 0.00 -1.72 0.00 0.00 55.73 55.63 2jug s ARG 29 Cb -0.27 -3.46 -0.01 0.00 -0.45 0.00 0.00 34.95 30.75 2jug s ARG 29 CO 0.25 0.01 -0.14 0.12 -0.68 0.00 0.00 175.30 174.85 2jug s PHE 30 N 0.97 2.77 -0.24 -0.53 2.19 -1.26 -1.99 117.98 119.89 2jug s PHE 30 Ca 0.39 -0.65 0.02 0.00 0.33 0.00 0.00 56.93 57.02 2jug s PHE 30 Cb -0.18 -1.81 0.06 0.00 -1.31 0.00 0.00 43.02 39.78 2jug s PHE 30 CO 0.18 -0.20 -0.08 -1.14 1.83 0.00 0.00 175.22 175.81 2jug s GLN 31 N 0.27 1.89 -0.16 10.12 2.00 0.81 -4.99 119.66 129.60 2jug s GLN 31 Ca -0.10 -1.12 -0.09 0.00 -2.00 0.00 0.00 55.36 52.05 2jug s GLN 31 Cb -0.16 -2.70 0.06 0.00 0.80 0.00 0.00 33.01 31.01 2jug s GLN 31 CO 0.06 -0.58 0.38 0.00 -0.50 0.00 0.00 175.29 174.65 2jug s ALA 32 N 1.28 -0.95 0.73 1.58 0.00 -1.26 -0.32 121.76 122.82 2jug s ALA 32 Ca -0.07 1.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 2jug s ALA 32 Cb -0.19 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.10 2jug s ALA 32 CO -0.06 -0.25 1.10 -1.25 0.00 0.00 0.00 175.76 175.31 2jug s PRO 33 N 1.33 2.42 0.04 0.00 0.04 -1.26 -4.94 135.00 132.62 2jug s PRO 33 Ca -0.09 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 2jug s PRO 33 Cb -0.09 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 2jug s PRO 33 CO -0.12 -1.53 1.72 -1.25 0.04 0.00 0.00 177.00 175.86 2jug s PRO 34 N -4.55 4.18 0.00 0.56 0.04 -1.26 -2.81 135.00 131.15 2jug s PRO 34 Ca 0.64 2.36 0.00 0.00 0.04 0.00 0.00 61.00 64.04 2jug s PRO 34 Cb -0.19 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2jug s PRO 34 CO 0.50 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2jug n GLY 35 N 4.14 1.88 0.17 0.56 0.00 -1.26 -4.92 105.19 105.75 2jug n GLY 35 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.87 0.00 0.36 1.61 0.24 -1.12 -4.35 118.33 114.20 2jug n VAL 36 Ca 0.00 -0.09 0.01 0.00 -2.04 0.00 0.00 64.34 62.22 2jug n VAL 36 Cb 0.00 1.09 0.13 0.00 -1.47 0.00 0.00 33.84 33.59 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 -0.99 2.23 -1.67 7.34 0.00 -1.26 -4.76 117.12 118.00 2jug n MET 37 Ca 0.06 -1.04 -0.40 0.00 0.00 0.00 0.00 57.70 56.32 2jug n MET 37 Cb 0.37 -1.73 0.03 0.00 0.00 0.00 0.00 33.22 31.90 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 0.19 3.17 -0.32 1.12 -2.24 -1.26 -4.67 114.28 110.26 2jug n THR 38 Ca 0.10 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.53 2jug n THR 38 Cb 0.59 -1.40 0.38 0.00 -2.10 0.00 0.00 70.33 67.80 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 1.38 0.64 -0.22 -0.78 0.11 -1.99 0.14 132.00 131.28 2jug h PRO 39 Ca -0.48 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.60 2jug h PRO 39 Cb 1.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2jug h PRO 39 CO 0.56 0.42 0.13 1.49 -0.21 0.00 0.00 178.00 180.40 2jug h GLU 40 N 0.66 0.27 -0.56 1.05 4.81 -1.97 -1.23 114.58 117.60 2jug h GLU 40 Ca 0.55 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.73 2jug h GLU 40 Cb 1.00 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2jug h GLU 40 CO -0.32 0.18 0.20 1.25 -0.73 0.00 0.00 179.01 179.58 2jug h LEU 41 N 0.28 0.79 -0.98 1.64 6.46 -1.34 0.76 115.31 122.92 2jug h LEU 41 Ca 0.09 -0.19 0.07 0.00 -0.12 0.00 0.00 57.88 57.73 2jug h LEU 41 Cb -0.01 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 39.64 2jug h LEU 41 CO -0.04 0.77 0.63 -0.61 -0.62 0.00 0.00 178.44 178.57 2jug h GLN 42 N 0.77 1.08 0.00 1.25 5.75 -0.91 0.69 115.11 123.74 2jug h GLN 42 Ca 0.18 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.49 2jug h GLN 42 Cb 0.25 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 2jug h GLN 42 CO -0.01 0.72 -0.60 1.03 -2.65 0.00 0.00 178.83 177.32 2jug h SER 43 N 1.12 0.00 -0.46 -0.69 0.87 -0.60 -2.97 113.55 110.81 2jug h SER 43 Ca 0.43 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.90 2jug h SER 43 Cb 0.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2jug h SER 43 CO -0.19 0.60 -0.03 0.03 -0.53 0.00 0.00 176.83 176.72 2jug h ARG 44 N 0.00 0.89 -0.15 2.24 2.47 0.12 -1.19 114.38 118.76 2jug h ARG 44 Ca -0.01 -0.27 0.04 0.00 -1.26 0.00 0.00 59.98 58.49 2jug h ARG 44 Cb 1.10 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.32 2jug h ARG 44 CO 0.08 0.91 0.17 -0.07 0.56 0.00 0.00 179.97 181.61 2jug h LEU 45 N 0.82 0.00 0.00 3.04 3.38 -0.80 -3.45 115.31 118.30 2jug h LEU 45 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jug h LEU 45 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2jug h LEU 45 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2jug n GLY 46 N -1.39 2.98 2.31 0.83 0.00 -0.45 -3.99 105.19 105.48 2jug n GLY 46 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.42 0.48 3.91 -0.02 0.00 -1.26 -4.99 105.19 101.89 2jug n GLY 47 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.60 3.92 0.05 4.61 0.00 -1.26 -5.02 121.76 121.46 2jug s ALA 48 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 51.96 51.03 2jug s ALA 48 Cb 0.00 -1.95 -0.13 0.00 0.00 0.00 0.00 23.12 21.04 2jug s ALA 48 CO 0.00 0.76 1.40 0.07 0.00 0.00 0.00 175.76 177.99 2jug h ARG 49 N 3.14 0.33 -0.20 0.00 -0.00 -1.95 -2.37 114.38 113.32 2jug h ARG 49 Ca -0.46 -0.14 -0.08 0.00 -0.00 0.00 0.00 59.98 59.30 2jug h ARG 49 Cb 1.17 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.12 2jug h ARG 49 CO 0.73 0.65 -0.21 1.12 -0.00 0.00 0.00 179.97 182.27 2jug h HIS 50 N -0.01 0.39 -0.42 4.08 2.07 -2.00 -1.14 115.15 118.12 2jug h HIS 50 Ca 0.03 -0.07 -0.08 0.00 -2.85 0.00 0.00 60.37 57.41 2jug h HIS 50 Cb 0.55 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 30.42 2jug h HIS 50 CO 0.07 0.55 -0.04 1.49 -3.07 0.00 0.00 177.93 176.92 2jug h GLU 51 N 0.33 0.78 0.00 5.12 4.57 -1.91 -2.59 114.58 120.88 2jug h GLU 51 Ca 0.06 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 2jug h GLU 51 Cb 0.55 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2jug h GLU 51 CO 0.04 0.87 -0.36 -0.07 -1.18 0.00 0.00 179.01 178.31 2jug h LEU 52 N 0.61 0.00 0.07 1.64 3.38 -0.86 0.12 115.31 120.28 2jug h LEU 52 Ca 0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2jug h LEU 52 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2jug h LEU 52 CO 0.03 0.36 -0.09 0.40 0.09 0.00 0.00 178.44 179.22 2jug h ILE 53 N 0.00 0.78 -0.01 1.22 2.04 -0.85 0.20 117.51 120.90 2jug h ILE 53 Ca -0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 2jug h ILE 53 Cb 0.67 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2jug h ILE 53 CO 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 177.75 2jug h ALA 54 N 0.72 1.24 -0.38 1.87 0.00 -1.21 -0.84 119.26 120.65 2jug h ALA 54 Ca 0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 2jug h ALA 54 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jug h ALA 54 CO -0.04 0.57 -0.32 1.25 0.00 0.00 0.00 179.25 180.71 2jug h LEU 55 N 0.02 0.94 -0.07 0.00 7.12 -0.25 -1.15 115.31 121.91 2jug h LEU 55 Ca -0.00 -0.45 -0.21 0.00 0.13 0.00 0.00 57.88 57.35 2jug h LEU 55 Cb 0.80 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 2jug h LEU 55 CO 0.06 1.19 -0.98 0.25 -0.13 0.00 0.00 178.44 178.83 2jug h LEU 56 N 0.70 0.04 -1.84 2.25 5.85 -0.54 -3.01 115.31 118.76 2jug h LEU 56 Ca 0.07 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2jug h LEU 56 Cb 0.91 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2jug h LEU 56 CO 0.08 0.99 -0.05 -0.09 -0.34 0.00 0.00 178.44 179.04 2jug h ARG 57 N 0.01 0.00 0.00 1.25 2.43 -0.89 -2.54 114.38 114.64 2jug h ARG 57 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2jug h ARG 57 Cb 1.71 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.26 2jug h ARG 57 CO 0.13 0.05 -0.08 -0.56 -1.51 0.00 0.00 179.97 178.00 2jug h GLN 58 N 0.00 0.00 -0.46 0.20 3.07 -1.07 -1.35 115.11 115.50 2jug h GLN 58 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jug h GLN 58 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2jug h GLN 58 CO 0.01 0.08 0.00 1.47 0.09 0.00 0.00 178.83 180.48 2jug n LEU 59 N -4.29 3.67 -4.69 0.06 -0.00 -0.96 -4.93 117.00 105.85 2jug n LEU 59 Ca -0.03 -2.27 -0.37 0.00 -0.00 0.00 0.00 56.01 53.35 2jug n LEU 59 Cb 0.16 -0.40 -0.08 0.00 -0.00 0.00 0.00 43.42 43.10 2jug n LEU 59 CO 0.34 0.78 -0.04 -1.10 -0.00 0.00 0.00 177.39 177.37 2jug s GLN 60 N -1.49 4.18 0.00 1.47 -0.21 -0.51 -4.96 119.66 118.14 2jug s GLN 60 Ca 0.37 -0.01 0.03 0.00 0.02 0.00 0.00 55.36 55.77 2jug s GLN 60 Cb 0.23 -3.49 0.17 0.00 1.00 0.00 0.00 33.01 30.91 2jug s GLN 60 CO 0.20 0.12 0.67 -2.30 -2.12 0.00 0.00 175.29 171.85 2jug n PRO 61 N 4.03 0.52 0.14 2.91 -0.02 -1.26 -3.02 135.00 138.30 2jug n PRO 61 Ca -0.12 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.38 2jug n PRO 61 Cb 0.52 -1.08 0.11 0.00 -0.02 0.00 0.00 33.50 33.02 2jug n PRO 61 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2jug h SER 62 N 0.00 0.00 -3.15 2.55 0.02 -1.93 -3.43 113.55 107.61 2jug h SER 62 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 2jug h SER 62 Cb 0.00 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.21 2jug h SER 62 CO 0.00 0.53 -0.83 -0.44 -1.14 0.00 0.00 176.83 174.96 2jug s SER 63 N -6.49 3.43 0.14 3.07 0.01 -1.17 -5.11 113.70 107.57 2jug s SER 63 Ca 0.02 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.73 2jug s SER 63 Cb 0.09 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.74 2jug s SER 63 CO 0.74 0.00 0.23 -1.10 0.41 0.00 0.00 173.24 173.52 2jug s GLN 64 N 1.30 3.28 -0.09 12.44 1.11 -1.26 -4.95 119.66 131.50 2jug s GLN 64 Ca 0.04 -0.64 -0.07 0.00 0.01 0.00 0.00 55.36 54.70 2jug s GLN 64 Cb -0.13 -2.89 -0.28 0.00 -1.01 0.00 0.00 33.01 28.70 2jug s GLN 64 CO -0.10 0.53 0.51 0.78 0.01 0.00 0.00 175.29 177.02 2jug h GLY 65 N 2.40 0.34 -5.35 3.09 0.00 -2.01 -3.40 103.07 98.14 2jug h GLY 65 Ca -0.48 -0.87 -0.59 0.00 0.00 0.00 0.00 47.33 45.39 2jug h GLY 65 CO 0.68 0.76 -0.66 0.61 0.00 0.00 0.00 176.54 177.93 2jug n GLY 66 N 1.92 5.51 0.00 4.60 0.00 -1.26 -4.73 105.19 111.23 2jug n GLY 66 Ca -0.28 -2.74 0.06 0.00 0.00 0.00 0.00 46.02 43.05 2jug n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jug n SER 67 N -0.20 2.07 -4.35 1.61 3.41 -1.26 -4.95 113.62 109.96 2jug n SER 67 Ca 0.31 -0.14 -0.36 0.00 -0.26 0.00 0.00 58.87 58.42 2jug n SER 67 Cb 0.40 1.43 -0.13 0.00 -0.26 0.00 0.00 64.21 65.65 2jug n SER 67 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2jug s LEU 68 N -3.56 3.28 -0.04 1.04 2.96 -1.26 -5.07 118.68 116.02 2jug s LEU 68 Ca -0.03 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 2jug s LEU 68 Cb 0.07 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.97 2jug s LEU 68 CO 0.47 -0.07 0.08 -1.48 -1.32 0.00 0.00 176.35 174.03 2jug s LEU 69 N 1.51 1.22 -0.33 -0.68 0.05 -1.26 -5.12 118.68 114.07 2jug s LEU 69 Ca 0.05 0.15 0.01 0.00 0.05 0.00 0.00 54.13 54.39 2jug s LEU 69 Cb -0.15 0.17 0.14 0.00 -2.05 0.00 0.00 46.19 44.30 2jug s LEU 69 CO -0.00 -0.10 0.29 0.00 -0.55 0.00 0.00 176.35 175.99 2jug s ALA 70 N 0.72 -0.06 -1.38 1.48 0.00 -1.26 -5.04 121.76 116.23 2jug s ALA 70 Ca -0.06 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 2jug s ALA 70 Cb -0.08 -1.81 0.08 0.00 0.00 0.00 0.00 23.12 21.31 2jug s ALA 70 CO -0.03 -1.95 2.01 -0.35 0.00 0.00 0.00 175.76 175.45 2jug n PRO 71 N 4.64 3.10 0.14 0.00 -0.05 -1.26 -4.71 135.00 136.86 2jug n PRO 71 Ca 0.05 -2.99 0.13 0.00 -0.05 0.00 0.00 63.50 60.64 2jug n PRO 71 Cb 0.44 -3.24 0.38 0.00 -0.05 0.00 0.00 33.50 31.02 2jug n PRO 71 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 175.50 175.21 2jug h VAL 72 N 4.30 0.00 0.03 0.52 3.04 -2.01 -2.97 116.25 119.16 2jug h VAL 72 Ca 0.50 -0.57 -0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2jug h VAL 72 Cb 0.70 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2jug h VAL 72 CO 1.71 0.00 -0.01 0.00 -1.01 0.00 0.00 177.57 178.26 2jug h ALA 73 N 2.35 -0.04 -1.19 3.17 0.00 -2.06 -3.46 119.26 118.03 2jug h ALA 73 Ca 0.00 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.82 2jug h ALA 73 Cb 0.74 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.30 2jug h ALA 73 CO 0.00 -0.27 0.26 0.50 0.00 0.00 0.00 179.25 179.74 2jug s ARG 74 N -4.16 0.33 0.36 0.00 3.52 -1.13 -5.18 118.95 112.69 2jug s ARG 74 Ca -0.16 0.74 0.04 0.00 -0.13 0.00 0.00 55.73 56.22 2jug s ARG 74 Cb 0.01 0.35 -0.06 0.00 -1.56 0.00 0.00 34.95 33.70 2jug s ARG 74 CO 0.65 -0.10 0.05 0.54 -0.81 0.00 0.00 175.30 175.64 2jug s ASN 75 N 2.15 2.82 -0.40 -2.12 2.20 -1.15 -4.86 114.94 113.58 2jug s ASN 75 Ca -0.05 -1.43 -0.04 0.00 -0.94 0.00 0.00 52.86 50.41 2jug s ASN 75 Cb -0.06 -0.04 0.10 0.00 -2.00 0.00 0.00 41.25 39.26 2jug s ASN 75 CO -0.17 -0.63 0.20 -0.83 -2.94 0.00 0.00 177.10 172.73 2jug s GLY 76 N -3.57 1.97 0.00 0.45 0.00 -1.26 -4.82 107.32 100.09 2jug s GLY 76 Ca 0.33 -2.43 0.21 0.00 0.00 0.00 0.00 44.72 42.83 2jug s GLY 76 CO 0.15 1.00 0.92 0.54 0.00 0.00 0.00 173.10 175.71 2jug n ARG 77 N 4.65 0.31 -0.57 2.90 1.74 -1.26 -5.27 116.66 119.16 2jug n ARG 77 Ca -0.04 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 2jug n ARG 77 Cb 0.42 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 2jug n ARG 77 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39