#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 0.71 0.01 1.61 0.11 -2.07 -3.23 132.00 129.15 2jug h PRO 2 Ca 0.00 -0.24 -0.12 0.00 0.11 0.00 0.00 66.00 65.75 2jug h PRO 2 Cb 0.00 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.06 2jug h PRO 2 CO 0.00 0.82 -0.46 -0.07 -0.21 0.00 0.00 178.00 178.07 2jug h LEU 3 N 0.65 0.38 -7.44 2.35 4.07 -2.05 -3.47 115.31 109.80 2jug h LEU 3 Ca 0.11 -0.80 -0.08 0.00 0.08 0.00 0.00 57.88 57.19 2jug h LEU 3 Cb 0.60 -0.12 -0.16 0.00 1.08 0.00 0.00 40.66 42.06 2jug h LEU 3 CO 0.04 1.13 -0.14 -0.83 -1.08 0.00 0.00 178.44 177.56 2jug s GLY 4 N -4.06 -0.23 -0.19 0.83 0.00 -1.22 -5.04 107.32 97.42 2jug s GLY 4 Ca -0.14 0.15 0.16 0.00 0.00 0.00 0.00 44.72 44.89 2jug s GLY 4 CO 0.79 -0.09 0.06 1.44 0.00 0.00 0.00 173.10 175.29 2jug n SER 5 N 0.40 0.43 -4.49 1.64 7.64 -1.26 -3.72 113.62 114.26 2jug n SER 5 Ca -0.18 -0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.27 2jug n SER 5 Cb 0.60 0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 64.70 2jug n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jug s SER 6 N -5.32 6.34 -0.21 6.43 0.01 -1.26 -4.81 113.70 114.89 2jug s SER 6 Ca -0.10 -1.24 -0.19 0.00 1.31 0.00 0.00 55.95 55.74 2jug s SER 6 Cb 0.06 -2.46 -0.19 0.00 0.21 0.00 0.00 66.02 63.63 2jug s SER 6 CO 0.76 -1.43 0.16 0.00 0.41 0.00 0.00 173.24 173.14 2jug n ALA 7 N 7.90 0.85 -0.20 1.44 0.00 -1.26 -3.58 120.51 125.66 2jug n ALA 7 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 52.95 2jug n ALA 7 Cb 0.48 -0.49 0.21 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.70 1.04 0.94 0.00 0.00 -1.99 -0.55 103.07 101.81 2jug h GLY 8 Ca -0.40 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.49 2jug h GLY 8 CO -0.20 0.44 0.56 0.00 0.00 0.00 0.00 176.54 177.34 2jug h ALA 9 N 1.44 1.11 -0.20 3.60 0.00 -1.95 0.50 119.26 123.76 2jug h ALA 9 Ca 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jug h ALA 9 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2jug h ALA 9 CO -0.04 0.44 0.06 1.25 0.00 0.00 0.00 179.25 180.96 2jug h LEU 10 N 1.12 0.29 -0.19 0.00 5.85 -1.43 -0.52 115.31 120.43 2jug h LEU 10 Ca 0.33 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2jug h LEU 10 Cb -0.07 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2jug h LEU 10 CO -0.09 0.43 0.04 0.25 -0.34 0.00 0.00 178.44 178.72 2jug h LEU 11 N 0.14 0.01 0.04 2.25 7.12 -0.64 -0.44 115.31 123.79 2jug h LEU 11 Ca 0.06 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 2jug h LEU 11 Cb 0.24 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2jug h LEU 11 CO -0.00 0.03 -0.02 0.00 -0.13 0.00 0.00 178.44 178.32 2jug h ALA 12 N 1.14 -0.06 0.00 1.25 0.00 0.09 -1.51 119.26 120.17 2jug h ALA 12 Ca 0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2jug h ALA 12 Cb 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jug h ALA 12 CO -0.12 -0.47 -0.49 1.12 0.00 0.00 0.00 179.25 179.29 2jug h HIS 13 N -0.18 0.00 -0.12 0.00 2.07 -1.01 0.19 115.15 116.11 2jug h HIS 13 Ca -0.01 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.48 2jug h HIS 13 Cb 0.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.14 2jug h HIS 13 CO -0.03 0.49 -0.04 0.00 -3.07 0.00 0.00 177.93 175.27 2jug h ALA 14 N 1.51 0.16 -0.12 6.11 0.00 -0.96 -1.91 119.26 124.06 2jug h ALA 14 Ca -0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2jug h ALA 14 Cb 1.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2jug h ALA 14 CO 0.06 -0.07 -0.22 0.00 0.00 0.00 0.00 179.25 179.01 2jug h ALA 15 N 0.67 1.41 -0.66 0.00 0.00 -1.08 0.19 119.26 119.79 2jug h ALA 15 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2jug h ALA 15 Cb 0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2jug h ALA 15 CO 0.01 0.42 0.18 1.03 0.00 0.00 0.00 179.25 180.89 2jug h SER 16 N 0.19 0.99 1.41 0.00 0.87 -0.83 -2.59 113.55 113.59 2jug h SER 16 Ca 0.03 -0.22 -0.12 0.00 -1.23 0.00 0.00 61.79 60.24 2jug h SER 16 Cb 0.51 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2jug h SER 16 CO 0.03 0.96 -0.59 -0.07 -0.53 0.00 0.00 176.83 176.63 2jug h LEU 17 N 0.98 0.00 0.00 2.23 3.38 -0.97 -3.48 115.31 117.45 2jug h LEU 17 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jug h LEU 17 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2jug h LEU 17 CO -0.00 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2jug n GLY 18 N 1.24 0.68 3.67 0.83 0.00 0.60 -4.61 105.19 107.60 2jug n GLY 18 Ca 0.02 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 3.67 -0.05 1.61 1.01 -0.69 -4.66 120.40 119.29 2jug s VAL 19 Ca 0.00 0.88 0.05 0.00 0.00 0.00 0.00 61.98 62.92 2jug s VAL 19 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2jug s VAL 19 CO 0.00 -0.06 -0.22 -0.13 0.00 0.00 0.00 175.10 174.69 2jug s ARG 20 N 3.57 2.27 -0.05 2.72 0.52 0.74 -4.71 118.95 124.01 2jug s ARG 20 Ca 0.69 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2jug s ARG 20 Cb -0.32 -1.93 0.03 0.00 0.52 0.00 0.00 34.95 33.24 2jug s ARG 20 CO 0.27 0.33 -0.01 -0.51 0.02 0.00 0.00 175.30 175.40 2jug s LEU 21 N -0.08 0.87 -0.01 2.53 1.02 -1.26 -0.67 118.68 121.08 2jug s LEU 21 Ca -0.04 -0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.02 2jug s LEU 21 Cb -0.13 -0.39 0.00 0.00 0.02 0.00 0.00 46.19 45.69 2jug s LEU 21 CO 0.03 -0.14 0.03 -1.66 0.02 0.00 0.00 176.35 174.63 2jug s TRP 22 N 1.52 -0.02 -0.19 0.29 -2.14 -0.83 -3.41 118.94 114.17 2jug s TRP 22 Ca -0.02 0.05 -0.24 0.00 2.66 0.00 0.00 56.10 58.55 2jug s TRP 22 Cb -0.13 0.00 -0.02 0.00 -3.10 0.00 0.00 33.47 30.23 2jug s TRP 22 CO -0.03 -0.03 0.79 0.54 -2.66 0.00 0.00 176.95 175.56 2jug s VAL 23 N -0.07 4.90 -0.42 -0.66 0.11 -1.26 0.19 120.40 123.19 2jug s VAL 23 Ca -0.01 1.53 -0.06 0.00 -2.93 0.00 0.00 61.98 60.51 2jug s VAL 23 Cb -0.01 -4.09 0.10 0.00 -1.53 0.00 0.00 36.38 30.85 2jug s VAL 23 CO 0.00 0.03 0.23 -0.70 -3.33 0.00 0.00 175.10 171.33 2jug s GLU 24 N 2.21 2.28 1.23 1.54 -6.30 0.41 -4.91 118.70 115.16 2jug s GLU 24 Ca 0.36 -1.69 0.00 0.00 -2.50 0.00 0.00 54.97 51.14 2jug s GLU 24 Cb -0.16 -3.68 0.00 0.00 0.00 0.00 0.00 34.13 30.29 2jug s GLU 24 CO 0.11 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.76 2jug n GLY 25 N 4.74 1.17 0.02 -1.50 0.00 -1.26 -1.87 105.19 106.49 2jug n GLY 25 Ca -0.06 0.40 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 2jug n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jug n GLU 26 N 0.00 2.76 -4.17 1.61 2.13 -1.26 -5.05 120.64 116.66 2jug n GLU 26 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.48 2jug n GLU 26 Cb 0.00 -1.09 -0.10 0.00 0.27 0.00 0.00 31.44 30.52 2jug n GLU 26 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2jug s ARG 27 N -2.08 3.62 0.03 5.31 6.06 -0.78 -5.06 118.95 126.04 2jug s ARG 27 Ca -0.03 -0.38 -0.30 0.00 -2.50 0.00 0.00 55.73 52.52 2jug s ARG 27 Cb 0.01 -3.04 -0.06 0.00 0.06 0.00 0.00 34.95 31.92 2jug s ARG 27 CO 0.13 0.42 1.43 -1.17 -2.50 0.00 0.00 175.30 173.61 2jug s LEU 28 N -0.07 4.33 -0.18 -0.88 1.98 -1.26 -0.45 118.68 122.15 2jug s LEU 28 Ca 0.05 2.20 -0.11 0.00 -2.89 0.00 0.00 54.13 53.39 2jug s LEU 28 Cb -0.12 -3.57 -0.05 0.00 0.66 0.00 0.00 46.19 43.11 2jug s LEU 28 CO 0.02 -0.73 0.19 -0.13 -1.89 0.00 0.00 176.35 173.81 2jug s ARG 29 N 2.16 4.14 0.02 1.98 3.00 0.13 -4.91 118.95 125.47 2jug s ARG 29 Ca 0.65 -0.09 0.03 0.00 0.00 0.00 0.00 55.73 56.31 2jug s ARG 29 Cb -0.34 -3.40 -0.04 0.00 0.00 0.00 0.00 34.95 31.18 2jug s ARG 29 CO 0.28 0.33 -0.01 0.12 0.00 0.00 0.00 175.30 176.02 2jug s PHE 30 N 0.25 3.03 -0.20 -0.53 2.19 -1.26 -1.96 117.98 119.49 2jug s PHE 30 Ca 0.12 0.04 -0.04 0.00 0.33 0.00 0.00 56.93 57.38 2jug s PHE 30 Cb -0.12 -1.63 0.09 0.00 -1.31 0.00 0.00 43.02 40.06 2jug s PHE 30 CO 0.01 0.45 0.23 -1.14 1.83 0.00 0.00 175.22 176.60 2jug s GLN 31 N -1.73 0.19 -0.09 10.12 2.00 0.15 -5.00 119.66 125.31 2jug s GLN 31 Ca 0.21 0.24 -0.06 0.00 -2.00 0.00 0.00 55.36 53.74 2jug s GLN 31 Cb -0.12 -1.13 0.03 0.00 0.80 0.00 0.00 33.01 32.59 2jug s GLN 31 CO 0.12 -0.64 0.22 0.00 -0.50 0.00 0.00 175.29 174.49 2jug s ALA 32 N 2.34 -0.53 0.83 1.58 0.00 -1.26 -0.18 121.76 124.54 2jug s ALA 32 Ca 0.07 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 2jug s ALA 32 Cb -0.16 -0.46 0.10 0.00 0.00 0.00 0.00 23.12 22.60 2jug s ALA 32 CO -0.12 -0.14 1.19 -2.14 0.00 0.00 0.00 175.76 174.55 2jug s PRO 33 N 0.60 1.47 0.07 0.00 0.02 -1.26 -4.92 135.00 130.98 2jug s PRO 33 Ca -0.04 1.71 -0.31 0.00 0.02 0.00 0.00 61.00 62.39 2jug s PRO 33 Cb -0.05 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.62 2jug s PRO 33 CO -0.03 -2.33 1.75 -1.25 -0.33 0.00 0.00 177.00 174.80 2jug s PRO 34 N -4.26 4.17 0.00 5.54 0.04 -1.26 -3.05 135.00 136.18 2jug s PRO 34 Ca 0.72 2.43 0.00 0.00 0.04 0.00 0.00 61.00 64.19 2jug s PRO 34 Cb -0.27 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2jug s PRO 34 CO 0.52 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2jug n GLY 35 N 4.15 2.72 0.05 0.56 0.00 -1.26 -4.89 105.19 106.52 2jug n GLY 35 Ca 0.17 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 0.58 0.79 1.61 0.24 -1.17 -3.51 118.33 116.87 2jug n VAL 36 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2jug n VAL 36 Cb 0.00 -0.80 0.04 0.00 -1.47 0.00 0.00 33.84 31.61 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 -1.81 1.38 -1.56 7.34 0.00 -1.26 -4.74 117.12 116.47 2jug n MET 37 Ca 0.05 -0.34 -0.42 0.00 0.00 0.00 0.00 57.70 56.99 2jug n MET 37 Cb 0.29 -1.52 0.01 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 0.11 2.26 -0.15 1.12 -2.24 -1.23 -4.62 114.28 109.53 2jug n THR 38 Ca 0.04 -0.50 0.19 0.00 -2.27 0.00 0.00 64.05 61.50 2jug n THR 38 Cb 0.40 -0.96 0.57 0.00 -2.10 0.00 0.00 70.33 68.24 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 1.36 0.26 -0.08 -0.78 0.11 -1.95 0.13 132.00 131.04 2jug h PRO 39 Ca -0.43 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.69 2jug h PRO 39 Cb 1.36 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2jug h PRO 39 CO 0.56 0.17 -0.04 1.49 -0.21 0.00 0.00 178.00 179.97 2jug h GLU 40 N 0.27 -0.02 -0.22 1.05 4.57 -1.96 -0.12 114.58 118.14 2jug h GLU 40 Ca 0.37 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.55 2jug h GLU 40 Cb 1.06 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2jug h GLU 40 CO -0.09 -0.02 0.12 1.25 -1.18 0.00 0.00 179.01 179.09 2jug h LEU 41 N -0.03 0.28 -1.08 1.64 5.85 -1.12 -2.11 115.31 118.74 2jug h LEU 41 Ca 0.05 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.74 2jug h LEU 41 Cb 0.09 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 2jug h LEU 41 CO -0.10 0.29 0.62 -0.61 -0.34 0.00 0.00 178.44 178.30 2jug h GLN 42 N 0.24 1.05 0.00 1.25 5.75 -0.83 0.29 115.11 122.87 2jug h GLN 42 Ca 0.08 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.40 2jug h GLN 42 Cb 0.08 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 2jug h GLN 42 CO -0.01 0.70 -0.55 1.03 -2.65 0.00 0.00 178.83 177.35 2jug h SER 43 N 1.09 0.00 1.00 -0.69 0.87 -0.80 -2.29 113.55 112.73 2jug h SER 43 Ca 0.42 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.81 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 -0.17 0.55 -0.78 0.03 -0.53 0.00 0.00 176.83 175.94 2jug h ARG 44 N 0.00 0.00 -0.27 2.24 3.08 -0.23 -2.70 114.38 116.50 2jug h ARG 44 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 2jug h ARG 44 Cb 0.99 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2jug h ARG 44 CO 0.07 0.78 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.58 2jug h LEU 45 N 0.00 0.42 0.00 3.04 3.38 -0.31 -3.46 115.31 118.37 2jug h LEU 45 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jug h LEU 45 Cb 1.49 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2jug h LEU 45 CO 0.10 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.80 2jug n GLY 46 N -0.76 2.91 2.57 0.83 0.00 -0.88 -4.02 105.19 105.84 2jug n GLY 46 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.19 0.38 3.81 -0.02 0.00 -1.26 -4.97 105.19 101.94 2jug n GLY 47 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.57 2.99 0.00 4.61 0.00 -1.26 -4.94 121.76 121.60 2jug s ALA 48 Ca 0.00 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 2jug s ALA 48 Cb 0.00 -3.18 -0.19 0.00 0.00 0.00 0.00 23.12 19.75 2jug s ALA 48 CO 0.00 -0.05 1.37 0.07 0.00 0.00 0.00 175.76 177.15 2jug h ARG 49 N 1.70 -0.01 -0.35 0.00 0.11 -1.96 -0.96 114.38 112.90 2jug h ARG 49 Ca -0.49 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.55 2jug h ARG 49 Cb 1.19 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.26 2jug h ARG 49 CO 0.60 0.36 0.03 1.12 0.10 0.00 0.00 179.97 182.18 2jug h HIS 50 N -0.39 0.55 -0.08 4.08 2.07 -1.99 -0.74 115.15 118.65 2jug h HIS 50 Ca -0.00 -0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.46 2jug h HIS 50 Cb 0.38 -0.16 -0.00 0.00 2.57 0.00 0.00 27.41 30.19 2jug h HIS 50 CO 0.05 0.53 0.00 1.49 -3.07 0.00 0.00 177.93 176.93 2jug h GLU 51 N 0.52 0.15 0.00 5.12 4.57 -1.87 -2.70 114.58 120.37 2jug h GLU 51 Ca 0.12 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 2jug h GLU 51 Cb 0.29 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2jug h GLU 51 CO 0.01 0.40 -0.25 -0.07 -1.18 0.00 0.00 179.01 177.92 2jug h LEU 52 N -0.13 0.00 -0.52 1.64 3.38 -0.88 -1.41 115.31 117.39 2jug h LEU 52 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jug h LEU 52 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2jug h LEU 52 CO 0.00 0.25 0.25 0.40 0.09 0.00 0.00 178.44 179.44 2jug h ILE 53 N 0.00 1.20 0.00 1.22 2.04 -0.98 -1.39 117.51 119.60 2jug h ILE 53 Ca -0.00 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 2jug h ILE 53 Cb 0.80 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2jug h ILE 53 CO 0.03 0.22 -0.23 0.00 0.00 0.00 0.00 178.15 178.17 2jug h ALA 54 N 1.09 1.19 0.00 1.87 0.00 -1.07 0.11 119.26 122.46 2jug h ALA 54 Ca 0.18 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2jug h ALA 54 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jug h ALA 54 CO -0.02 0.29 -0.56 1.25 0.00 0.00 0.00 179.25 180.20 2jug h LEU 55 N 0.00 0.00 0.20 0.00 7.12 -0.48 -1.43 115.31 120.72 2jug h LEU 55 Ca -0.00 0.00 -0.35 0.00 0.13 0.00 0.00 57.88 57.66 2jug h LEU 55 Cb 0.58 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.73 2jug h LEU 55 CO 0.03 0.56 -1.68 0.25 -0.13 0.00 0.00 178.44 177.47 2jug h LEU 56 N 0.00 0.67 -2.05 2.25 5.85 -0.90 -3.37 115.31 117.75 2jug h LEU 56 Ca -0.01 -0.93 0.08 0.00 0.84 0.00 0.00 57.88 57.86 2jug h LEU 56 Cb 1.01 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2jug h LEU 56 CO 0.07 1.77 0.22 -0.09 -0.34 0.00 0.00 178.44 180.07 2jug h ARG 57 N 0.10 0.00 0.00 1.25 2.43 -0.49 0.25 114.38 117.92 2jug h ARG 57 Ca -0.33 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2jug h ARG 57 Cb 2.11 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.65 2jug h ARG 57 CO 0.20 0.00 -0.01 -0.56 -1.51 0.00 0.00 179.97 178.08 2jug h GLN 58 N 0.00 0.00 -0.00 0.20 3.07 -1.42 -2.66 115.11 114.29 2jug h GLN 58 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.87 2jug h GLN 58 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 2jug h GLN 58 CO -0.00 0.01 -0.30 -0.11 0.09 0.00 0.00 178.83 178.53 2jug n LEU 59 N -3.12 0.79 -4.66 0.06 7.94 0.86 -4.86 117.00 114.01 2jug n LEU 59 Ca -0.00 -0.14 -0.42 0.00 -1.11 0.00 0.00 56.01 54.33 2jug n LEU 59 Cb 0.27 -0.17 -0.03 0.00 0.53 0.00 0.00 43.42 44.02 2jug n LEU 59 CO 0.26 0.16 1.33 -1.10 -1.11 0.00 0.00 177.39 176.93 2jug s GLN 60 N -2.64 4.19 -0.77 1.96 -1.52 -1.01 -4.91 119.66 114.96 2jug s GLN 60 Ca 0.21 2.13 -0.25 0.00 -1.95 0.00 0.00 55.36 55.50 2jug s GLN 60 Cb 0.19 -3.92 -0.03 0.00 -0.22 0.00 0.00 33.01 29.03 2jug s GLN 60 CO 0.56 -0.81 1.90 -2.14 -0.25 0.00 0.00 175.29 174.55 2jug s PRO 61 N 3.81 2.60 0.30 2.91 0.02 -1.26 -4.77 135.00 138.61 2jug s PRO 61 Ca 0.71 0.11 0.26 0.00 0.02 0.00 0.00 61.00 62.10 2jug s PRO 61 Cb -0.32 -4.75 0.96 0.00 0.02 0.00 0.00 34.50 30.40 2jug s PRO 61 CO 0.28 -3.07 1.76 0.66 -0.33 0.00 0.00 177.00 176.31 2jug h SER 62 N 12.94 0.00 -4.08 2.53 4.64 -1.96 -3.45 113.55 124.17 2jug h SER 62 Ca -0.07 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.73 2jug h SER 62 Cb 1.08 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.28 2jug h SER 62 CO 1.22 0.00 0.48 -0.44 -0.87 0.00 0.00 176.83 177.22 2jug s SER 63 N -4.67 5.31 -0.26 4.97 0.01 -1.26 -4.93 113.70 112.87 2jug s SER 63 Ca 0.06 2.40 0.08 0.00 1.31 0.00 0.00 55.95 59.80 2jug s SER 63 Cb 0.10 -2.60 0.63 0.00 0.21 0.00 0.00 66.02 64.36 2jug s SER 63 CO 0.49 -1.51 1.62 0.00 0.41 0.00 0.00 173.24 174.24 2jug n GLN 64 N -1.43 3.41 0.00 12.44 1.13 -1.26 -4.95 117.38 126.71 2jug n GLN 64 Ca 0.13 -2.57 0.00 0.00 -1.94 0.00 0.00 57.00 52.62 2jug n GLN 64 Cb 0.49 -2.08 0.00 0.00 0.11 0.00 0.00 30.24 28.76 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 -0.01 2.04 0.00 1.08 0.00 -1.26 -4.87 105.19 102.18 2jug n GLY 65 Ca 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.88 2.26 -0.02 0.00 -1.26 -5.09 105.19 102.96 2jug n GLY 66 Ca 0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.65 1.03 -4.14 1.61 2.88 -1.26 -5.03 113.62 108.06 2jug n SER 67 Ca 0.00 -2.98 -0.38 0.00 -1.33 0.00 0.00 58.87 54.18 2jug n SER 67 Cb 0.00 -0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 62.75 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 -2.11 5.48 -0.15 2.46 1.02 -1.26 -4.89 118.68 119.23 2jug s LEU 68 Ca 0.39 -2.67 -0.26 0.00 0.02 0.00 0.00 54.13 51.61 2jug s LEU 68 Cb 0.28 -1.91 -0.25 0.00 0.02 0.00 0.00 46.19 44.33 2jug s LEU 68 CO -0.09 -0.44 0.62 0.25 0.02 0.00 0.00 176.35 176.71 2jug h LEU 69 N 7.35 0.06 -6.77 1.79 5.85 -2.06 -3.44 115.31 118.09 2jug h LEU 69 Ca -0.03 -0.86 -0.47 0.00 0.84 0.00 0.00 57.88 57.36 2jug h LEU 69 Cb 0.98 -0.02 -0.39 0.00 0.37 0.00 0.00 40.66 41.61 2jug h LEU 69 CO 0.73 1.20 -0.74 0.00 -0.34 0.00 0.00 178.44 179.29 2jug s ALA 70 N -2.29 0.32 -0.05 1.25 0.00 -1.26 -5.01 121.76 114.71 2jug s ALA 70 Ca -0.21 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2jug s ALA 70 Cb 0.00 -1.42 -0.19 0.00 0.00 0.00 0.00 23.12 21.51 2jug s ALA 70 CO 0.68 -1.57 3.31 -0.35 0.00 0.00 0.00 175.76 177.83 2jug n PRO 71 N 5.27 1.91 -2.61 0.00 -0.04 -1.26 -4.93 135.00 133.35 2jug n PRO 71 Ca -0.05 -1.02 -0.43 0.00 -0.04 0.00 0.00 63.50 61.95 2jug n PRO 71 Cb 0.44 -1.88 -0.02 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.47 4.60 -0.14 0.52 0.11 -1.26 -4.94 120.40 119.77 2jug s VAL 72 Ca 0.57 1.91 -0.10 0.00 -2.93 0.00 0.00 61.98 61.43 2jug s VAL 72 Cb 0.28 -4.23 -0.03 0.00 -1.53 0.00 0.00 36.38 30.87 2jug s VAL 72 CO -0.02 -0.09 -0.20 0.00 -3.33 0.00 0.00 175.10 171.46 2jug n ALA 73 N 5.82 0.49 -3.39 1.54 0.00 -1.26 -4.75 120.51 118.96 2jug n ALA 73 Ca 0.11 -0.47 -0.37 0.00 0.00 0.00 0.00 53.44 52.71 2jug n ALA 73 Cb 0.47 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 -4.41 3.24 0.00 0.00 1.85 -1.26 -4.91 116.66 111.17 2jug n ARG 74 Ca -0.08 -4.53 0.00 0.00 -1.00 0.00 0.00 57.85 52.24 2jug n ARG 74 Cb 0.29 -2.43 0.00 0.00 -1.05 0.00 0.00 32.46 29.27 2jug n ARG 74 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2jug n ASN 75 N 1.82 0.00 -1.98 2.89 2.85 -1.26 -4.72 115.26 114.86 2jug n ASN 75 Ca 0.25 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.51 2jug n ASN 75 Cb 0.37 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.34 2jug n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jug n GLY 76 N 0.00 0.72 2.89 8.20 0.00 -1.26 -3.50 105.19 112.24 2jug n GLY 76 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2jug n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jug n ARG 77 N -2.70 -2.22 0.00 1.61 0.63 -1.26 -5.10 116.66 107.62 2jug n ARG 77 Ca -0.23 2.02 0.00 0.00 -0.92 0.00 0.00 57.85 58.73 2jug n ARG 77 Cb 0.68 -5.64 0.00 0.00 0.45 0.00 0.00 32.46 27.95 2jug n ARG 77 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01