#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jug s PRO 2 N 0.00 4.23 0.00 1.61 0.04 -1.26 -4.90 135.00 134.72 2jug s PRO 2 Ca 0.00 0.98 0.24 0.00 0.04 0.00 0.00 61.00 62.26 2jug s PRO 2 Cb 0.00 -3.61 0.16 0.00 0.04 0.00 0.00 34.50 31.08 2jug s PRO 2 CO 0.00 -0.44 1.20 1.28 0.04 0.00 0.00 177.00 179.08 2jug n LEU 3 N 5.69 2.20 0.00 -3.56 7.99 -1.26 -5.01 117.00 123.05 2jug n LEU 3 Ca 0.05 -0.77 0.00 0.00 -0.01 0.00 0.00 56.01 55.28 2jug n LEU 3 Cb 0.48 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 2jug n LEU 3 CO 0.48 0.39 0.00 0.61 -1.51 0.00 0.00 177.39 177.36 2jug n GLY 4 N 1.38 0.74 3.52 -0.72 0.00 -1.26 -5.14 105.19 103.72 2jug n GLY 4 Ca 0.11 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 2jug n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jug s SER 5 N 0.00 5.30 0.27 1.61 0.15 -1.26 -5.10 113.70 114.67 2jug s SER 5 Ca 0.00 -0.09 0.08 0.00 0.70 0.00 0.00 55.95 56.64 2jug s SER 5 Cb 0.00 -1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 62.33 2jug s SER 5 CO 0.00 0.06 -0.11 -0.94 1.20 0.00 0.00 173.24 173.45 2jug s SER 6 N 1.05 2.96 0.00 5.45 1.04 -1.26 -4.72 113.70 118.22 2jug s SER 6 Ca 0.04 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2jug s SER 6 Cb -0.14 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.78 2jug s SER 6 CO 0.03 -0.22 0.00 0.00 0.98 0.00 0.00 173.24 174.03 2jug n ALA 7 N -0.56 0.00 -0.30 5.32 0.00 -1.26 -4.37 120.51 119.35 2jug n ALA 7 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 2jug n ALA 7 Cb 0.62 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.22 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 1.27 0.88 0.00 0.00 -1.98 0.35 103.07 103.59 2jug h GLY 8 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.00 2jug h GLY 8 CO 0.00 0.21 0.37 0.00 0.00 0.00 0.00 176.54 177.12 2jug h ALA 9 N 1.42 0.78 -0.19 3.60 0.00 -1.85 0.43 119.26 123.45 2jug h ALA 9 Ca 0.38 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2jug h ALA 9 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jug h ALA 9 CO -0.20 0.11 -0.03 1.25 0.00 0.00 0.00 179.25 180.39 2jug h LEU 10 N 0.74 0.36 -0.10 0.00 5.85 -1.56 -2.21 115.31 118.38 2jug h LEU 10 Ca 0.24 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2jug h LEU 10 Cb 0.01 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2jug h LEU 10 CO -0.10 0.62 0.07 0.25 -0.34 0.00 0.00 178.44 178.94 2jug h LEU 11 N 0.09 0.12 -0.58 2.25 7.12 -0.05 0.45 115.31 124.71 2jug h LEU 11 Ca 0.05 -0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.12 2jug h LEU 11 Cb 0.45 -0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.50 2jug h LEU 11 CO 0.02 0.09 0.28 0.00 -0.13 0.00 0.00 178.44 178.70 2jug h ALA 12 N 1.04 0.76 0.00 1.25 0.00 -0.14 0.26 119.26 122.42 2jug h ALA 12 Ca 0.04 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2jug h ALA 12 Cb -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jug h ALA 12 CO -0.01 -0.08 -0.65 1.25 0.00 0.00 0.00 179.25 179.76 2jug h HIS 13 N 0.52 0.00 0.03 0.00 -0.00 -1.06 0.63 115.15 115.28 2jug h HIS 13 Ca 0.27 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.39 2jug h HIS 13 Cb 0.22 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.65 2jug h HIS 13 CO -0.11 0.65 -0.98 0.00 -0.00 0.00 0.00 177.93 177.49 2jug h ALA 14 N 1.35 0.08 -0.35 5.26 0.00 -0.39 -2.81 119.26 122.40 2jug h ALA 14 Ca -0.01 -0.68 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 2jug h ALA 14 Cb 1.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jug h ALA 14 CO 0.08 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 2jug h ALA 15 N 0.35 0.48 -0.02 0.00 0.00 -0.34 0.26 119.26 119.99 2jug h ALA 15 Ca -0.13 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2jug h ALA 15 Cb 1.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2jug h ALA 15 CO 0.19 0.27 -0.32 0.77 0.00 0.00 0.00 179.25 180.16 2jug h SER 16 N 0.44 0.04 1.03 0.00 0.02 -0.97 -2.32 113.55 111.78 2jug h SER 16 Ca 0.09 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 2jug h SER 16 Cb 0.51 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2jug h SER 16 CO 0.02 0.37 -1.03 -0.07 -1.14 0.00 0.00 176.83 174.98 2jug h LEU 17 N 0.04 0.00 0.00 5.07 3.38 -1.30 -3.48 115.31 119.01 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 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2jug h LEU 17 CO 0.04 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.79 2jug n GLY 18 N 1.33 0.87 3.62 0.83 0.00 0.79 -4.55 105.19 108.08 2jug n GLY 18 Ca -0.04 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 3.98 -0.04 1.61 1.01 -0.46 -4.41 120.40 120.08 2jug s VAL 19 Ca 0.00 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.10 2jug s VAL 19 Cb 0.00 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2jug s VAL 19 CO 0.00 -0.54 -0.19 -0.13 0.00 0.00 0.00 175.10 174.24 2jug s ARG 20 N 4.54 1.92 -0.04 2.72 0.52 0.83 -4.75 118.95 124.69 2jug s ARG 20 Ca 0.61 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 2jug s ARG 20 Cb -0.17 -1.68 0.01 0.00 0.52 0.00 0.00 34.95 33.63 2jug s ARG 20 CO 0.27 0.30 -0.08 -0.51 0.02 0.00 0.00 175.30 175.30 2jug s LEU 21 N -0.07 1.57 0.02 2.53 1.02 -1.26 -0.28 118.68 122.20 2jug s LEU 21 Ca -0.02 -0.20 -0.17 0.00 0.02 0.00 0.00 54.13 53.76 2jug s LEU 21 Cb -0.11 -0.60 0.03 0.00 0.02 0.00 0.00 46.19 45.53 2jug s LEU 21 CO 0.02 0.01 0.37 -1.66 0.02 0.00 0.00 176.35 175.11 2jug s TRP 22 N 0.61 -0.23 -0.22 0.29 -2.14 -0.97 -4.37 118.94 111.91 2jug s TRP 22 Ca -0.10 0.25 -0.11 0.00 2.66 0.00 0.00 56.10 58.80 2jug s TRP 22 Cb -0.13 0.16 -0.05 0.00 -3.10 0.00 0.00 33.47 30.35 2jug s TRP 22 CO 0.01 -0.49 0.17 0.54 -2.66 0.00 0.00 176.95 174.52 2jug s VAL 23 N -1.97 5.36 -0.28 -0.66 0.11 -1.26 0.66 120.40 122.36 2jug s VAL 23 Ca -0.09 0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.21 2jug s VAL 23 Cb -0.02 -3.51 0.08 0.00 -1.53 0.00 0.00 36.38 31.39 2jug s VAL 23 CO 0.01 0.37 -0.02 -0.70 -3.33 0.00 0.00 175.10 171.43 2jug s GLU 24 N 0.83 1.59 5.56 1.54 2.56 0.13 -4.94 118.70 125.98 2jug s GLU 24 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 54.97 53.73 2jug s GLU 24 Cb -0.13 -2.75 0.00 0.00 2.00 0.00 0.00 34.13 33.25 2jug s GLU 24 CO 0.03 -0.74 0.00 0.41 -0.56 0.00 0.00 175.26 174.40 2jug n GLY 25 N 4.52 1.64 0.09 -1.50 0.00 -1.26 -2.24 105.19 106.44 2jug n GLY 25 Ca -0.07 -0.11 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 2.79 -4.99 1.61 1.02 -1.26 -5.00 120.64 114.80 2jug n GLU 26 Ca 0.00 -0.21 -0.32 0.00 -0.02 0.00 0.00 57.16 56.60 2jug n GLU 26 Cb 0.00 -1.08 -0.15 0.00 -0.02 0.00 0.00 31.44 30.19 2jug n GLU 26 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2jug s ARG 27 N -1.93 2.87 -0.08 3.49 6.06 -0.95 -5.09 118.95 123.33 2jug s ARG 27 Ca 0.06 -0.77 -0.30 0.00 -2.50 0.00 0.00 55.73 52.23 2jug s ARG 27 Cb 0.09 -2.40 -0.02 0.00 0.06 0.00 0.00 34.95 32.68 2jug s ARG 27 CO 0.42 0.37 1.14 -1.17 -2.50 0.00 0.00 175.30 173.57 2jug s LEU 28 N -0.10 4.26 -0.13 -0.88 0.20 -1.26 0.22 118.68 120.99 2jug s LEU 28 Ca -0.03 1.71 -0.11 0.00 0.69 0.00 0.00 54.13 56.39 2jug s LEU 28 Cb -0.14 -3.56 -0.05 0.00 -0.43 0.00 0.00 46.19 42.02 2jug s LEU 28 CO 0.04 -0.55 0.22 -0.13 -0.29 0.00 0.00 176.35 175.64 2jug s ARG 29 N 2.22 3.89 -0.12 1.98 1.81 0.21 -4.93 118.95 124.01 2jug s ARG 29 Ca 0.53 -0.00 -0.01 0.00 -1.72 0.00 0.00 55.73 54.53 2jug s ARG 29 Cb -0.22 -3.30 -0.02 0.00 -0.45 0.00 0.00 34.95 30.95 2jug s ARG 29 CO 0.20 0.52 -0.10 0.12 -0.68 0.00 0.00 175.30 175.36 2jug s PHE 30 N -0.36 2.87 -0.21 -0.53 2.19 -1.26 -2.28 117.98 118.40 2jug s PHE 30 Ca 0.15 -0.43 0.01 0.00 0.33 0.00 0.00 56.93 57.00 2jug s PHE 30 Cb -0.13 -1.84 0.04 0.00 -1.31 0.00 0.00 43.02 39.79 2jug s PHE 30 CO 0.04 -0.06 -0.11 -1.14 1.83 0.00 0.00 175.22 175.77 2jug s GLN 31 N 0.12 2.16 -0.17 10.12 2.00 0.61 -5.00 119.66 129.49 2jug s GLN 31 Ca -0.04 -0.93 -0.08 0.00 -2.00 0.00 0.00 55.36 52.30 2jug s GLN 31 Cb -0.14 -2.52 0.07 0.00 0.80 0.00 0.00 33.01 31.21 2jug s GLN 31 CO 0.04 -0.43 0.39 0.00 -0.50 0.00 0.00 175.29 174.79 2jug s ALA 32 N 1.33 -1.01 0.79 1.58 0.00 -1.26 -0.12 121.76 123.07 2jug s ALA 32 Ca -0.02 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.26 2jug s ALA 32 Cb -0.17 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 22.00 2jug s ALA 32 CO -0.08 -0.43 1.16 -2.14 0.00 0.00 0.00 175.76 174.27 2jug s PRO 33 N 1.81 1.87 0.09 0.00 0.02 -1.26 -4.91 135.00 132.62 2jug s PRO 33 Ca -0.07 1.55 -0.31 0.00 0.02 0.00 0.00 61.00 62.20 2jug s PRO 33 Cb -0.10 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 2jug s PRO 33 CO -0.12 -1.99 1.87 -1.25 -0.33 0.00 0.00 177.00 175.18 2jug s PRO 34 N -4.34 4.14 0.00 5.54 0.04 -1.26 -2.72 135.00 136.40 2jug s PRO 34 Ca 0.69 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.32 2jug s PRO 34 Cb -0.24 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2jug s PRO 34 CO 0.51 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.07 2jug n GLY 35 N 4.34 2.66 0.14 0.56 0.00 -1.26 -4.90 105.19 106.74 2jug n GLY 35 Ca 0.18 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.04 1.61 -1.51 -1.88 -3.25 116.25 111.18 2jug h VAL 36 Ca 0.00 -0.49 -0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2jug h VAL 36 Cb 0.00 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 30.59 2jug h VAL 36 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 177.57 177.14 2jug n MET 37 N -2.42 1.26 -1.59 5.19 0.00 -1.26 -4.75 117.12 113.56 2jug n MET 37 Ca 0.04 -0.22 -0.43 0.00 0.00 0.00 0.00 57.70 57.09 2jug n MET 37 Cb 0.39 -1.51 -0.00 0.00 0.00 0.00 0.00 33.22 32.10 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 0.08 2.14 -0.23 1.12 -2.24 -1.23 -4.69 114.28 109.23 2jug n THR 38 Ca 0.02 -0.50 0.20 0.00 -2.27 0.00 0.00 64.05 61.50 2jug n THR 38 Cb 0.34 -1.03 0.53 0.00 -2.10 0.00 0.00 70.33 68.07 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 1.71 0.35 0.00 -0.78 0.11 -1.95 0.23 132.00 131.67 2jug h PRO 39 Ca -0.42 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 2jug h PRO 39 Cb 1.34 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2jug h PRO 39 CO 0.58 0.23 -0.55 1.05 -0.21 0.00 0.00 178.00 179.10 2jug h GLU 40 N 0.36 0.00 -0.19 1.05 -0.00 -1.96 -2.43 114.58 111.41 2jug h GLU 40 Ca 0.46 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 59.64 2jug h GLU 40 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2jug h GLU 40 CO -0.16 0.55 -0.60 1.25 -0.00 0.00 0.00 179.01 180.06 2jug h LEU 41 N 0.00 0.70 -1.36 3.06 6.46 -0.86 -1.46 115.31 121.85 2jug h LEU 41 Ca -0.01 -0.39 0.04 0.00 -0.12 0.00 0.00 57.88 57.40 2jug h LEU 41 Cb 0.99 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 2jug h LEU 41 CO 0.07 1.14 0.46 -0.61 -0.62 0.00 0.00 178.44 178.88 2jug h GLN 42 N 0.47 0.81 -0.00 1.25 5.75 -1.06 0.61 115.11 122.93 2jug h GLN 42 Ca -0.00 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.32 2jug h GLN 42 Cb 1.17 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 2jug h GLN 42 CO 0.12 0.53 -0.59 1.03 -2.65 0.00 0.00 178.83 177.27 2jug h SER 43 N 0.83 0.01 -0.39 -0.69 0.87 -1.05 -2.17 113.55 110.96 2jug h SER 43 Ca 0.28 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 2jug h SER 43 Cb 0.09 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2jug h SER 43 CO -0.08 0.60 0.14 0.03 -0.53 0.00 0.00 176.83 176.98 2jug h ARG 44 N 0.01 0.60 -0.67 2.24 2.47 0.13 -2.70 114.38 116.45 2jug h ARG 44 Ca -0.01 -0.12 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 2jug h ARG 44 Cb 1.05 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.25 2jug h ARG 44 CO 0.08 0.59 0.34 -0.07 0.56 0.00 0.00 179.97 181.47 2jug h LEU 45 N 0.49 0.86 0.00 3.04 3.38 -1.08 -3.46 115.31 118.54 2jug h LEU 45 Ca 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jug h LEU 45 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2jug h LEU 45 CO -0.01 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.87 2jug n GLY 46 N -1.00 2.99 2.25 0.83 0.00 -0.83 -3.85 105.19 105.59 2jug n GLY 46 Ca 0.05 0.00 -0.09 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 -1.49 1.04 3.81 -0.02 0.00 -1.26 -5.00 105.19 102.27 2jug n GLY 47 Ca 0.00 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.32 3.18 -0.03 4.61 0.00 -1.25 -4.98 121.76 120.96 2jug s ALA 48 Ca 0.00 0.36 -0.25 0.00 0.00 0.00 0.00 51.96 52.07 2jug s ALA 48 Cb 0.00 -3.06 -0.19 0.00 0.00 0.00 0.00 23.12 19.87 2jug s ALA 48 CO 0.00 0.20 1.13 0.07 0.00 0.00 0.00 175.76 177.15 2jug h ARG 49 N 2.56 -0.12 -0.21 0.00 0.11 -1.95 -1.05 114.38 113.73 2jug h ARG 49 Ca -0.48 0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.59 2jug h ARG 49 Cb 1.18 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 2jug h ARG 49 CO 0.63 0.36 0.04 1.12 0.10 0.00 0.00 179.97 182.22 2jug h HIS 50 N -0.66 0.29 -0.15 4.08 2.07 -1.99 0.26 115.15 119.05 2jug h HIS 50 Ca -0.01 -0.01 -0.14 0.00 -2.85 0.00 0.00 60.37 57.36 2jug h HIS 50 Cb 0.53 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.42 2jug h HIS 50 CO 0.09 0.27 -0.45 1.49 -3.07 0.00 0.00 177.93 176.26 2jug h GLU 51 N 0.29 0.56 0.00 5.12 4.57 -1.92 -2.84 114.58 120.37 2jug h GLU 51 Ca 0.07 -0.41 -0.06 0.00 -1.18 0.00 0.00 59.36 57.78 2jug h GLU 51 Cb 0.14 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2jug h GLU 51 CO -0.00 1.03 -0.28 -0.07 -1.18 0.00 0.00 179.01 178.51 2jug h LEU 52 N 0.20 0.00 -0.04 1.64 3.38 -0.61 -0.49 115.31 119.39 2jug h LEU 52 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jug h LEU 52 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2jug h LEU 52 CO 0.10 0.28 0.02 0.40 0.09 0.00 0.00 178.44 179.33 2jug h ILE 53 N 0.00 1.06 0.00 1.22 2.04 -0.83 0.20 117.51 121.21 2jug h ILE 53 Ca -0.00 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 2jug h ILE 53 Cb 0.80 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2jug h ILE 53 CO 0.04 0.05 -0.36 0.00 0.00 0.00 0.00 178.15 177.88 2jug h ALA 54 N 0.95 1.28 -0.35 1.87 0.00 -1.26 0.31 119.26 122.06 2jug h ALA 54 Ca 0.01 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 2jug h ALA 54 Cb 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2jug h ALA 54 CO -0.00 0.45 -0.42 1.25 0.00 0.00 0.00 179.25 180.53 2jug h LEU 55 N 0.00 0.95 -0.05 0.00 7.12 -0.61 -1.67 115.31 121.05 2jug h LEU 55 Ca -0.00 -0.45 -0.22 0.00 0.13 0.00 0.00 57.88 57.34 2jug h LEU 55 Cb 0.69 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.53 2jug h LEU 55 CO 0.05 1.24 -1.01 0.25 -0.13 0.00 0.00 178.44 178.83 2jug h LEU 56 N 0.72 0.11 -2.03 2.25 5.85 -0.42 -3.04 115.31 118.74 2jug h LEU 56 Ca 0.05 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2jug h LEU 56 Cb 1.00 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 2jug h LEU 56 CO 0.10 1.05 -0.09 -0.09 -0.34 0.00 0.00 178.44 179.07 2jug h ARG 57 N 0.03 0.00 -0.14 1.25 2.43 -0.67 -2.42 114.38 114.86 2jug h ARG 57 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2jug h ARG 57 Cb 1.75 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.29 2jug h ARG 57 CO 0.14 0.09 0.08 -0.56 -1.51 0.00 0.00 179.97 178.21 2jug h GLN 58 N 0.00 0.18 -0.27 0.20 3.07 -1.19 -1.60 115.11 115.50 2jug h GLN 58 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2jug h GLN 58 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.81 2jug h GLN 58 CO 0.01 0.13 0.00 1.47 0.09 0.00 0.00 178.83 180.53 2jug n LEU 59 N -4.51 2.91 -4.82 0.06 -0.00 -0.92 -4.95 117.00 104.77 2jug n LEU 59 Ca -0.01 -1.50 -0.36 0.00 -0.00 0.00 0.00 56.01 54.15 2jug n LEU 59 Cb 0.09 -0.18 -0.06 0.00 -0.00 0.00 0.00 43.42 43.27 2jug n LEU 59 CO 0.35 0.64 0.37 -1.10 -0.00 0.00 0.00 177.39 177.64 2jug s GLN 60 N -1.21 4.17 0.51 1.47 -0.21 -0.60 -4.97 119.66 118.81 2jug s GLN 60 Ca 0.28 0.76 0.26 0.00 0.02 0.00 0.00 55.36 56.68 2jug s GLN 60 Cb 0.16 -2.90 1.37 0.00 1.00 0.00 0.00 33.01 32.64 2jug s GLN 60 CO 0.23 0.42 2.04 -1.35 -2.12 0.00 0.00 175.29 174.51 2jug h PRO 61 N 3.47 0.00 -5.36 2.91 0.11 -1.93 -3.39 132.00 127.81 2jug h PRO 61 Ca -0.48 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.98 2jug h PRO 61 Cb 1.19 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 2jug h PRO 61 CO 0.65 0.14 0.27 0.45 -0.21 0.00 0.00 178.00 179.30 2jug s SER 62 N -6.24 6.28 0.07 -2.05 0.15 -1.26 -4.70 113.70 105.94 2jug s SER 62 Ca -0.03 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2jug s SER 62 Cb 0.13 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2jug s SER 62 CO 0.60 -1.03 0.00 -1.54 1.20 0.00 0.00 173.24 172.47 2jug n SER 63 N 6.72 0.02 -1.60 5.45 3.41 -1.26 -4.97 113.62 121.38 2jug n SER 63 Ca -0.03 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2jug n SER 63 Cb 0.46 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2jug n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jug n GLN 64 N -2.83 -2.90 -0.31 4.33 3.00 -1.26 -4.96 117.38 112.44 2jug n GLN 64 Ca 0.00 2.31 0.09 0.00 -0.01 0.00 0.00 57.00 59.39 2jug n GLN 64 Cb 0.07 -2.63 0.21 0.00 0.00 0.00 0.00 30.24 27.90 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 1.01 4.17 2.00 1.08 0.00 -1.26 -4.79 105.19 107.40 2jug n GLY 65 Ca 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.71 3.01 0.00 -0.02 0.00 -1.26 -2.97 105.19 103.24 2jug n GLY 66 Ca 0.19 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2jug n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jug n SER 67 N 2.50 0.00 -4.47 1.61 7.64 -1.26 -5.05 113.62 114.59 2jug n SER 67 Ca 0.43 -1.00 -0.43 0.00 1.01 0.00 0.00 58.87 58.88 2jug n SER 67 Cb 0.92 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 64.02 2jug n SER 67 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jug s LEU 68 N 0.00 5.04 0.00 -3.43 1.02 -1.16 -4.97 118.68 115.19 2jug s LEU 68 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 54.13 53.31 2jug s LEU 68 Cb 0.00 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 44.01 2jug s LEU 68 CO 0.00 -0.46 0.00 0.18 0.02 0.00 0.00 176.35 176.09 2jug n LEU 69 N 5.23 0.00 -0.68 1.79 7.99 -1.26 -5.06 117.00 125.01 2jug n LEU 69 Ca -0.10 0.39 0.00 0.00 -0.01 0.00 0.00 56.01 56.28 2jug n LEU 69 Cb 0.47 -1.09 0.00 0.00 -0.11 0.00 0.00 43.42 42.69 2jug n LEU 69 CO 0.42 -1.57 -0.17 0.00 -1.51 0.00 0.00 177.39 174.55 2jug n ALA 70 N -0.62 -2.65 -1.57 -1.18 0.00 -1.26 -4.73 120.51 108.49 2jug n ALA 70 Ca 0.00 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.22 2jug n ALA 70 Cb 0.16 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 2jug n ALA 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jug n PRO 71 N -0.12 3.91 -2.21 0.00 -0.05 -1.26 -4.94 135.00 130.34 2jug n PRO 71 Ca 0.00 -2.64 -0.42 0.00 -0.05 0.00 0.00 63.50 60.40 2jug n PRO 71 Cb 0.00 -2.79 -0.03 0.00 -0.05 0.00 0.00 33.50 30.64 2jug n PRO 71 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 2jug s VAL 72 N 1.21 3.64 0.00 0.52 0.11 -1.26 -4.64 120.40 119.98 2jug s VAL 72 Ca 0.63 0.58 0.00 0.00 -2.93 0.00 0.00 61.98 60.26 2jug s VAL 72 Cb 0.18 -4.08 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 2jug s VAL 72 CO -0.07 -0.83 0.00 0.00 -3.33 0.00 0.00 175.10 170.87 2jug n ALA 73 N 10.25 0.00 -1.53 1.54 0.00 -1.26 -1.99 120.51 127.51 2jug n ALA 73 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2jug n ALA 73 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2jug n ALA 73 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jug n ARG 74 N 0.00 0.00 -2.73 0.00 1.85 -1.26 -5.05 116.66 109.46 2jug n ARG 74 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2jug n ARG 74 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2jug n ARG 74 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jug n ASN 75 N 0.00 -8.04 -4.77 2.89 3.02 -0.84 -4.96 115.26 102.56 2jug n ASN 75 Ca 0.00 1.41 -0.39 0.00 -0.03 0.00 0.00 54.58 55.57 2jug n ASN 75 Cb 0.28 -5.29 -0.05 0.00 -0.61 0.00 0.00 39.78 34.11 2jug n ASN 75 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2jug s GLY 76 N -1.64 2.96 -0.40 7.41 0.00 -1.26 -5.00 107.32 109.40 2jug s GLY 76 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 44.72 45.30 2jug s GLY 76 CO 0.77 1.31 0.60 -1.60 0.00 0.00 0.00 173.10 174.19 2jug s ARG 77 N -1.74 3.44 0.00 2.90 3.52 -1.26 -5.24 118.95 120.57 2jug s ARG 77 Ca 0.48 -0.24 0.28 0.00 -0.13 0.00 0.00 55.73 56.12 2jug s ARG 77 Cb -0.27 -3.89 1.14 0.00 -1.56 0.00 0.00 34.95 30.37 2jug s ARG 77 CO 0.35 -0.86 1.79 1.28 -0.81 0.00 0.00 175.30 177.05