#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 2.86 -0.07 1.61 0.02 -1.26 -4.96 135.00 133.21 2jug s PRO 2 Ca 0.00 1.29 0.01 0.00 0.02 0.00 0.00 61.00 62.32 2jug s PRO 2 Cb 0.00 -4.35 0.02 0.00 0.02 0.00 0.00 34.50 30.19 2jug s PRO 2 CO 0.00 -2.42 -0.08 -1.17 -0.33 0.00 0.00 177.00 173.00 2jug s LEU 3 N 8.76 1.39 0.00 -5.54 1.98 -1.26 -4.99 118.68 119.02 2jug s LEU 3 Ca 0.83 -0.24 0.00 0.00 -2.89 0.00 0.00 54.13 51.83 2jug s LEU 3 Cb -0.20 -0.70 0.00 0.00 0.66 0.00 0.00 46.19 45.95 2jug s LEU 3 CO 0.29 -0.04 0.00 0.61 -1.89 0.00 0.00 176.35 175.32 2jug n GLY 4 N 4.22 -0.73 3.55 7.98 0.00 -1.26 -5.09 105.19 113.86 2jug n GLY 4 Ca -0.20 0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 6.28 -0.23 1.61 0.15 -1.26 -4.70 113.70 115.54 2jug s SER 5 Ca 0.00 -0.83 0.23 0.00 0.70 0.00 0.00 55.95 56.05 2jug s SER 5 Cb 0.00 -2.56 0.50 0.00 -1.71 0.00 0.00 66.02 62.25 2jug s SER 5 CO 0.00 -1.70 1.12 -1.20 1.20 0.00 0.00 173.24 172.66 2jug n SER 6 N 9.11 1.66 0.13 5.45 7.64 -1.26 -4.94 113.62 131.41 2jug n SER 6 Ca 0.13 -2.10 -0.14 0.00 1.01 0.00 0.00 58.87 57.77 2jug n SER 6 Cb 0.50 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 2jug n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jug h ALA 7 N 2.41 -0.26 -0.92 -0.43 0.00 -1.99 0.47 119.26 118.55 2jug h ALA 7 Ca -0.13 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2jug h ALA 7 Cb 1.35 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 2jug h ALA 7 CO 0.20 -0.64 0.60 0.78 0.00 0.00 0.00 179.25 180.18 2jug h GLY 8 N -0.27 1.29 0.97 0.00 0.00 -1.98 0.23 103.07 103.31 2jug h GLY 8 Ca -0.03 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 2jug h GLY 8 CO 0.04 0.48 -0.04 0.00 0.00 0.00 0.00 176.54 177.02 2jug h ALA 9 N 1.42 0.56 -0.21 3.60 0.00 -1.81 0.12 119.26 122.95 2jug h ALA 9 Ca 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2jug h ALA 9 Cb -0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2jug h ALA 9 CO -0.07 0.39 0.05 1.25 0.00 0.00 0.00 179.25 180.87 2jug h LEU 10 N 0.59 0.31 -0.38 0.00 5.85 0.37 -0.87 115.31 121.18 2jug h LEU 10 Ca 0.11 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.61 2jug h LEU 10 Cb 0.55 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2jug h LEU 10 CO 0.03 0.47 0.23 0.25 -0.34 0.00 0.00 178.44 179.07 2jug h LEU 11 N 0.15 0.37 0.09 2.25 7.12 -0.49 0.10 115.31 124.90 2jug h LEU 11 Ca 0.06 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.07 2jug h LEU 11 Cb 0.28 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2jug h LEU 11 CO 0.00 0.27 -0.05 0.00 -0.13 0.00 0.00 178.44 178.53 2jug h ALA 12 N 1.16 -0.13 0.00 1.25 0.00 -0.58 0.01 119.26 120.97 2jug h ALA 12 Ca 0.15 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2jug h ALA 12 Cb -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2jug h ALA 12 CO -0.06 -0.57 -0.67 1.12 0.00 0.00 0.00 179.25 179.06 2jug h HIS 13 N -0.13 0.00 -0.18 0.00 2.07 -1.02 -1.72 115.15 114.17 2jug h HIS 13 Ca -0.01 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.37 2jug h HIS 13 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 2jug h HIS 13 CO -0.08 0.67 -0.42 0.00 -3.07 0.00 0.00 177.93 175.03 2jug h ALA 14 N 1.33 0.29 -0.70 6.11 0.00 -0.69 -2.66 119.26 122.94 2jug h ALA 14 Ca -0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2jug h ALA 14 Cb 1.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2jug h ALA 14 CO 0.09 0.41 0.25 0.00 0.00 0.00 0.00 179.25 180.00 2jug h ALA 15 N 0.57 1.13 -0.23 0.00 0.00 -0.91 0.37 119.26 120.19 2jug h ALA 15 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2jug h ALA 15 Cb 1.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2jug h ALA 15 CO 0.09 0.61 -0.13 0.77 0.00 0.00 0.00 179.25 180.60 2jug h SER 16 N 1.02 0.37 0.98 0.00 0.02 -1.28 -1.75 113.55 112.91 2jug h SER 16 Ca 0.23 -0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 2jug h SER 16 Cb 0.23 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2jug h SER 16 CO -0.02 0.53 -1.09 -0.07 -1.14 0.00 0.00 176.83 175.04 2jug h LEU 17 N 0.36 0.00 -0.42 5.07 3.38 -1.11 -3.48 115.31 119.11 2jug h LEU 17 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2jug h LEU 17 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.20 2jug h LEU 17 CO 0.03 0.63 -0.07 0.61 0.09 0.00 0.00 178.44 179.73 2jug n GLY 18 N 1.35 0.57 3.59 0.83 0.00 0.13 -4.72 105.19 106.93 2jug n GLY 18 Ca -0.05 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.64 3.53 -0.11 1.61 1.01 -0.85 -4.66 120.40 118.29 2jug s VAL 19 Ca 0.04 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 2jug s VAL 19 Cb -0.02 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2jug s VAL 19 CO 0.05 -0.53 -0.10 -0.13 0.00 0.00 0.00 175.10 174.39 2jug s ARG 20 N 5.70 3.18 -0.03 2.72 0.52 0.16 -4.82 118.95 126.39 2jug s ARG 20 Ca 0.75 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 2jug s ARG 20 Cb -0.20 -2.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.62 2jug s ARG 20 CO 0.32 0.38 -0.12 -0.51 0.02 0.00 0.00 175.30 175.39 2jug s LEU 21 N -0.06 1.87 -0.25 2.53 1.02 -1.26 -0.11 118.68 122.42 2jug s LEU 21 Ca -0.01 -0.23 -0.21 0.00 0.02 0.00 0.00 54.13 53.70 2jug s LEU 21 Cb -0.14 -0.67 0.07 0.00 0.02 0.00 0.00 46.19 45.47 2jug s LEU 21 CO 0.03 0.11 0.65 -1.66 0.02 0.00 0.00 176.35 175.50 2jug s TRP 22 N 0.04 -0.77 -0.21 0.29 -2.14 -0.72 -4.08 118.94 111.34 2jug s TRP 22 Ca -0.01 1.80 -0.24 0.00 2.66 0.00 0.00 56.10 60.30 2jug s TRP 22 Cb -0.08 0.31 -0.01 0.00 -3.10 0.00 0.00 33.47 30.59 2jug s TRP 22 CO 0.01 -0.38 0.80 0.54 -2.66 0.00 0.00 176.95 175.26 2jug s VAL 23 N 0.60 4.87 -0.36 -0.66 0.11 -1.26 0.49 120.40 124.20 2jug s VAL 23 Ca -0.02 1.54 -0.00 0.00 -2.93 0.00 0.00 61.98 60.56 2jug s VAL 23 Cb -0.05 -4.10 0.09 0.00 -1.53 0.00 0.00 36.38 30.79 2jug s VAL 23 CO -0.03 -0.02 0.11 -0.70 -3.33 0.00 0.00 175.10 171.13 2jug s GLU 24 N 2.49 1.94 2.08 1.54 2.12 0.19 -4.93 118.70 124.14 2jug s GLU 24 Ca 0.35 -1.71 0.00 0.00 0.36 0.00 0.00 54.97 53.97 2jug s GLU 24 Cb -0.16 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.87 2jug s GLU 24 CO 0.09 -0.92 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 2jug n GLY 25 N 4.49 1.28 0.04 -1.50 0.00 -1.26 -2.53 105.19 105.71 2jug n GLY 25 Ca -0.03 0.31 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 2.29 -4.91 1.61 4.07 -1.26 -5.04 120.64 117.40 2jug n GLU 26 Ca 0.00 -0.01 -0.31 0.00 -0.06 0.00 0.00 57.16 56.77 2jug n GLU 26 Cb 0.00 -1.22 -0.14 0.00 -0.06 0.00 0.00 31.44 30.02 2jug n GLU 26 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2jug s ARG 27 N -2.27 2.15 0.00 5.31 6.06 -1.05 -5.08 118.95 124.08 2jug s ARG 27 Ca -0.04 -0.91 -0.30 0.00 -2.50 0.00 0.00 55.73 51.97 2jug s ARG 27 Cb 0.03 -2.17 -0.06 0.00 0.06 0.00 0.00 34.95 32.81 2jug s ARG 27 CO 0.36 0.56 1.47 -1.17 -2.50 0.00 0.00 175.30 174.03 2jug s LEU 28 N -1.03 4.32 -0.14 -0.88 1.98 -1.26 -0.63 118.68 121.03 2jug s LEU 28 Ca 0.12 2.18 -0.07 0.00 -2.89 0.00 0.00 54.13 53.47 2jug s LEU 28 Cb -0.10 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.15 2jug s LEU 28 CO 0.02 -0.78 0.11 -0.13 -1.89 0.00 0.00 176.35 173.68 2jug s ARG 29 N 2.68 3.62 -0.05 1.98 1.81 0.18 -4.92 118.95 124.25 2jug s ARG 29 Ca 0.66 -0.22 0.06 0.00 -1.72 0.00 0.00 55.73 54.52 2jug s ARG 29 Cb -0.33 -3.19 -0.01 0.00 -0.45 0.00 0.00 34.95 30.97 2jug s ARG 29 CO 0.27 0.59 -0.24 0.12 -0.68 0.00 0.00 175.30 175.37 2jug s PHE 30 N -0.51 2.33 -0.24 -0.53 2.19 -1.26 -1.76 117.98 118.20 2jug s PHE 30 Ca 0.12 -0.67 -0.01 0.00 0.33 0.00 0.00 56.93 56.69 2jug s PHE 30 Cb -0.12 -1.53 0.07 0.00 -1.31 0.00 0.00 43.02 40.13 2jug s PHE 30 CO 0.02 -0.20 0.04 -1.14 1.83 0.00 0.00 175.22 175.77 2jug s GLN 31 N -0.17 0.90 -0.15 10.12 2.00 0.84 -5.01 119.66 128.18 2jug s GLN 31 Ca -0.03 -0.78 0.02 0.00 -2.00 0.00 0.00 55.36 52.57 2jug s GLN 31 Cb -0.13 -2.19 0.01 0.00 0.80 0.00 0.00 33.01 31.50 2jug s GLN 31 CO 0.03 -0.75 -0.20 0.00 -0.50 0.00 0.00 175.29 173.87 2jug s ALA 32 N 1.66 2.31 0.90 1.58 0.00 -1.26 -0.66 121.76 126.29 2jug s ALA 32 Ca 0.02 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 2jug s ALA 32 Cb -0.18 -1.08 0.14 0.00 0.00 0.00 0.00 23.12 22.00 2jug s ALA 32 CO -0.13 -0.12 1.14 -2.14 0.00 0.00 0.00 175.76 174.51 2jug s PRO 33 N 0.95 1.16 0.04 0.00 0.02 -1.26 -4.91 135.00 130.99 2jug s PRO 33 Ca -0.03 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.19 2jug s PRO 33 Cb -0.15 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.55 2jug s PRO 33 CO -0.05 -2.52 1.74 -1.25 -0.33 0.00 0.00 177.00 174.59 2jug s PRO 34 N -4.68 4.18 0.00 5.54 0.04 -1.26 -3.23 135.00 135.59 2jug s PRO 34 Ca 0.66 2.38 0.00 0.00 0.04 0.00 0.00 61.00 64.08 2jug s PRO 34 Cb -0.22 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2jug s PRO 34 CO 0.58 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 177.21 2jug n GLY 35 N 4.17 2.88 0.12 0.56 0.00 -1.26 -4.85 105.19 106.80 2jug n GLY 35 Ca 0.17 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 0.90 0.39 1.61 0.24 -1.20 -2.84 118.33 117.43 2jug n VAL 36 Ca 0.00 0.29 -0.01 0.00 -2.04 0.00 0.00 64.34 62.58 2jug n VAL 36 Cb 0.00 -1.21 0.10 0.00 -1.47 0.00 0.00 33.84 31.26 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 -2.14 1.90 -1.55 7.34 0.00 -1.26 -4.75 117.12 116.66 2jug n MET 37 Ca 0.02 -0.94 -0.41 0.00 0.00 0.00 0.00 57.70 56.38 2jug n MET 37 Cb 0.20 -1.60 0.02 0.00 0.00 0.00 0.00 33.22 31.83 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 0.12 2.39 -0.03 1.12 -2.24 -1.13 -4.46 114.28 110.06 2jug n THR 38 Ca 0.12 -0.50 0.23 0.00 -2.27 0.00 0.00 64.05 61.63 2jug n THR 38 Cb 0.65 -0.92 0.72 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.04 0.00 -0.08 -0.78 0.11 -1.93 0.39 132.00 130.74 2jug h PRO 39 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2jug h PRO 39 Cb 1.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 2jug h PRO 39 CO 0.53 0.00 -0.03 1.49 -0.21 0.00 0.00 178.00 179.78 2jug h GLU 40 N 0.00 0.17 -0.49 1.05 4.81 -1.97 -0.81 114.58 117.34 2jug h GLU 40 Ca 0.29 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2jug h GLU 40 Cb 1.24 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2jug h GLU 40 CO -0.00 0.52 0.00 1.25 -0.73 0.00 0.00 179.01 180.05 2jug h LEU 41 N -0.18 0.78 -0.91 1.64 6.46 -1.09 -0.35 115.31 121.66 2jug h LEU 41 Ca 0.02 -0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.67 2jug h LEU 41 Cb 0.46 -0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 40.11 2jug h LEU 41 CO 0.01 0.85 0.57 -0.61 -0.62 0.00 0.00 178.44 178.63 2jug h GLN 42 N 0.76 0.97 -0.00 1.25 5.75 -0.27 0.17 115.11 123.74 2jug h GLN 42 Ca 0.15 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.46 2jug h GLN 42 Cb 0.46 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 2jug h GLN 42 CO 0.02 0.64 -0.62 1.03 -2.65 0.00 0.00 178.83 177.25 2jug h SER 43 N 1.00 0.01 -0.35 -0.69 0.87 -0.43 -1.46 113.55 112.49 2jug h SER 43 Ca 0.41 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.85 2jug h SER 43 Cb 0.25 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2jug h SER 43 CO -0.20 0.62 -0.20 0.03 -0.53 0.00 0.00 176.83 176.55 2jug h ARG 44 N 0.01 0.83 -0.48 2.24 2.47 0.70 -2.28 114.38 117.86 2jug h ARG 44 Ca -0.01 -0.33 -0.05 0.00 -1.26 0.00 0.00 59.98 58.34 2jug h ARG 44 Cb 1.09 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.35 2jug h ARG 44 CO 0.08 0.96 0.12 -0.07 0.56 0.00 0.00 179.97 181.61 2jug h LEU 45 N 0.73 0.74 0.00 3.04 3.38 -0.64 -3.47 115.31 119.09 2jug h LEU 45 Ca 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jug h LEU 45 Cb 0.72 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2jug h LEU 45 CO 0.06 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.97 2jug n GLY 46 N -0.60 2.90 2.33 0.83 0.00 -0.56 -3.82 105.19 106.27 2jug n GLY 46 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.24 0.62 3.84 -0.02 0.00 -1.26 -5.00 105.19 102.13 2jug n GLY 47 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.91 3.23 -0.02 4.61 0.00 -1.25 -4.97 121.76 121.46 2jug s ALA 48 Ca 0.00 0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.85 2jug s ALA 48 Cb 0.00 -2.88 -0.20 0.00 0.00 0.00 0.00 23.12 20.04 2jug s ALA 48 CO 0.00 0.26 1.26 0.07 0.00 0.00 0.00 175.76 177.35 2jug h ARG 49 N 2.11 -0.04 -0.71 0.00 0.11 -1.94 -0.84 114.38 113.07 2jug h ARG 49 Ca -0.48 0.00 0.08 0.00 0.10 0.00 0.00 59.98 59.68 2jug h ARG 49 Cb 1.18 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 32.22 2jug h ARG 49 CO 0.64 0.41 0.47 1.12 0.10 0.00 0.00 179.97 182.71 2jug h HIS 50 N -0.51 0.69 0.10 4.08 2.07 -1.99 0.17 115.15 119.76 2jug h HIS 50 Ca -0.00 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.53 2jug h HIS 50 Cb 0.47 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.23 2jug h HIS 50 CO 0.08 0.35 -0.05 0.93 -3.07 0.00 0.00 177.93 176.17 2jug h GLU 51 N 0.67 -0.13 0.00 5.12 3.07 -1.84 -2.79 114.58 118.68 2jug h GLU 51 Ca 0.32 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.13 2jug h GLU 51 Cb 0.37 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2jug h GLU 51 CO -0.11 0.05 -0.26 -0.07 -1.40 0.00 0.00 179.01 177.23 2jug h LEU 52 N -0.28 0.00 -0.24 1.33 3.38 -0.21 -2.01 115.31 117.28 2jug h LEU 52 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jug h LEU 52 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jug h LEU 52 CO 0.02 0.26 0.15 0.40 0.09 0.00 0.00 178.44 179.36 2jug h ILE 53 N 0.00 1.05 -0.08 1.22 2.04 -0.45 0.32 117.51 121.60 2jug h ILE 53 Ca -0.00 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 2jug h ILE 53 Cb 0.66 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2jug h ILE 53 CO 0.03 0.06 -0.33 0.00 0.00 0.00 0.00 178.15 177.91 2jug h ALA 54 N 1.10 1.30 -0.24 1.87 0.00 -1.21 -1.69 119.26 120.39 2jug h ALA 54 Ca 0.09 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 2jug h ALA 54 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jug h ALA 54 CO -0.03 0.49 -0.50 1.25 0.00 0.00 0.00 179.25 180.46 2jug h LEU 55 N 0.14 0.85 -0.57 0.00 7.12 -0.73 -2.49 115.31 119.63 2jug h LEU 55 Ca 0.02 -0.55 -0.03 0.00 0.13 0.00 0.00 57.88 57.45 2jug h LEU 55 Cb 0.65 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 2jug h LEU 55 CO 0.05 1.24 0.24 0.25 -0.13 0.00 0.00 178.44 180.09 2jug h LEU 56 N 0.50 0.77 -1.72 2.25 7.12 -0.25 -2.75 115.31 121.21 2jug h LEU 56 Ca 0.01 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 57.83 2jug h LEU 56 Cb 1.11 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 41.03 2jug h LEU 56 CO 0.11 0.71 -0.16 -0.09 -0.13 0.00 0.00 178.44 178.89 2jug h ARG 57 N 0.77 0.00 -0.24 1.25 2.43 -1.06 -2.33 114.38 115.20 2jug h ARG 57 Ca 0.19 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2jug h ARG 57 Cb 0.17 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2jug h ARG 57 CO -0.02 0.16 0.03 -0.56 -1.51 0.00 0.00 179.97 178.07 2jug h GLN 58 N 0.00 0.35 -0.45 0.20 3.07 -1.14 -1.81 115.11 115.32 2jug h GLN 58 Ca -0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 58.65 58.63 2jug h GLN 58 Cb 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 27.75 2jug h GLN 58 CO 0.02 0.35 0.05 1.47 0.09 0.00 0.00 178.83 180.81 2jug n LEU 59 N -4.37 4.90 -4.67 0.06 -0.00 -0.89 -4.96 117.00 107.07 2jug n LEU 59 Ca 0.01 -3.09 -0.43 0.00 -0.00 0.00 0.00 56.01 52.50 2jug n LEU 59 Cb 0.18 -0.63 -0.02 0.00 -0.00 0.00 0.00 43.42 42.94 2jug n LEU 59 CO 0.37 0.73 1.08 -1.58 -0.00 0.00 0.00 177.39 177.98 2jug s GLN 60 N -2.88 4.27 0.70 1.47 0.74 -0.68 -4.98 119.66 118.30 2jug s GLN 60 Ca 0.49 1.77 -0.16 0.00 0.05 0.00 0.00 55.36 57.51 2jug s GLN 60 Cb 0.39 -3.68 0.02 0.00 1.10 0.00 0.00 33.01 30.84 2jug s GLN 60 CO 0.11 -0.61 1.24 -1.25 -0.55 0.00 0.00 175.29 174.23 2jug s PRO 61 N 2.94 2.30 0.38 1.67 0.04 -1.26 -5.04 135.00 136.02 2jug s PRO 61 Ca 0.58 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.55 2jug s PRO 61 Cb -0.26 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2jug s PRO 61 CO 0.21 -1.74 0.54 -1.54 0.04 0.00 0.00 177.00 174.50 2jug s SER 62 N -1.76 5.93 -0.07 6.66 1.04 -1.26 -5.11 113.70 119.13 2jug s SER 62 Ca 0.78 0.00 -0.04 0.00 0.48 0.00 0.00 55.95 57.17 2jug s SER 62 Cb -0.32 -1.37 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 2jug s SER 62 CO 0.43 -0.52 0.10 -0.44 0.98 0.00 0.00 173.24 173.78 2jug s SER 63 N -4.18 5.95 0.00 7.02 0.01 -1.26 -4.99 113.70 116.25 2jug s SER 63 Ca 0.46 0.30 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2jug s SER 63 Cb -0.10 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.32 2jug s SER 63 CO 0.34 0.35 0.00 0.00 0.41 0.00 0.00 173.24 174.33 2jug n GLN 64 N 1.68 1.28 0.00 12.44 0.00 -1.26 -5.06 117.38 126.46 2jug n GLN 64 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.83 2jug n GLN 64 Cb 0.54 -0.89 0.00 0.00 0.00 0.00 0.00 30.24 29.89 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 2.05 2.13 0.00 2.61 0.00 -1.26 -4.41 105.19 106.31 2jug n GLY 65 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.46 2.24 -0.02 0.00 -1.26 -5.11 105.19 100.58 2jug n GLY 66 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -0.97 -4.33 1.61 7.64 -1.26 -5.08 113.62 111.23 2jug n SER 67 Ca 0.00 0.91 -0.25 0.00 1.01 0.00 0.00 58.87 60.55 2jug n SER 67 Cb 0.00 -3.90 -0.12 0.00 -1.01 0.00 0.00 64.21 59.18 2jug n SER 67 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jug s LEU 68 N -0.47 2.34 0.06 -3.43 2.96 -1.26 -5.15 118.68 113.73 2jug s LEU 68 Ca -0.19 -0.75 0.06 0.00 -0.22 0.00 0.00 54.13 53.03 2jug s LEU 68 Cb 0.01 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.71 2jug s LEU 68 CO 0.54 0.07 -0.17 -1.48 -1.32 0.00 0.00 176.35 173.99 2jug s LEU 69 N -2.16 2.22 -0.30 -0.68 2.34 -1.26 -5.13 118.68 113.71 2jug s LEU 69 Ca 0.11 -0.55 -0.06 0.00 0.06 0.00 0.00 54.13 53.69 2jug s LEU 69 Cb -0.09 -0.71 0.02 0.00 -0.56 0.00 0.00 46.19 44.85 2jug s LEU 69 CO 0.06 0.04 0.06 0.00 -1.06 0.00 0.00 176.35 175.45 2jug s ALA 70 N -0.99 3.00 -0.24 1.48 0.00 -1.26 -4.99 121.76 118.75 2jug s ALA 70 Ca 0.03 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 2jug s ALA 70 Cb -0.09 -2.12 0.04 0.00 0.00 0.00 0.00 23.12 20.96 2jug s ALA 70 CO 0.02 -1.06 2.54 -0.35 0.00 0.00 0.00 175.76 176.90 2jug n PRO 71 N 4.81 1.88 0.00 0.00 -0.04 -1.26 -4.47 135.00 135.92 2jug n PRO 71 Ca -0.14 -1.42 0.09 0.00 -0.04 0.00 0.00 63.50 61.99 2jug n PRO 71 Cb 0.46 -1.74 0.56 0.00 -0.04 0.00 0.00 33.50 32.75 2jug n PRO 71 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2jug n VAL 72 N 1.10 0.00 0.27 0.52 3.14 -1.26 -2.98 118.33 119.11 2jug n VAL 72 Ca 0.33 0.00 0.15 0.00 -2.96 0.00 0.00 64.34 61.86 2jug n VAL 72 Cb 0.62 -0.69 0.88 0.00 -1.06 0.00 0.00 33.84 33.60 2jug n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jug h ALA 73 N 3.19 1.62 -2.75 1.55 0.00 -2.04 -3.32 119.26 117.51 2jug h ALA 73 Ca 0.00 -0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.17 2jug h ALA 73 Cb 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.50 2jug h ALA 73 CO 0.00 -0.09 -0.27 1.03 0.00 0.00 0.00 179.25 179.92 2jug s ARG 74 N -4.65 2.76 0.35 0.00 1.81 -1.16 -5.06 118.95 113.00 2jug s ARG 74 Ca -0.05 -2.06 0.09 0.00 -1.72 0.00 0.00 55.73 51.99 2jug s ARG 74 Cb 0.15 -4.02 -0.05 0.00 -0.45 0.00 0.00 34.95 30.59 2jug s ARG 74 CO 0.55 -1.22 0.06 0.54 -0.68 0.00 0.00 175.30 174.55 2jug s ASN 75 N 2.23 4.32 0.00 0.23 2.20 -1.25 -5.12 114.94 117.55 2jug s ASN 75 Ca 0.10 -0.95 0.00 0.00 -0.94 0.00 0.00 52.86 51.08 2jug s ASN 75 Cb -0.22 -0.58 0.00 0.00 -2.00 0.00 0.00 41.25 38.45 2jug s ASN 75 CO -0.03 -0.28 0.00 0.61 -2.94 0.00 0.00 177.10 174.47 2jug n GLY 76 N -1.02 5.71 3.09 0.45 0.00 -1.26 -5.18 105.19 106.98 2jug n GLY 76 Ca -0.04 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 2jug n GLY 76 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jug s ARG 77 N 0.67 0.62 0.00 1.61 3.52 -1.26 -5.29 118.95 118.82 2jug s ARG 77 Ca 0.00 -0.77 0.30 0.00 -0.13 0.00 0.00 55.73 55.14 2jug s ARG 77 Cb 0.00 -0.47 1.59 0.00 -1.56 0.00 0.00 34.95 34.51 2jug s ARG 77 CO 0.00 0.10 2.05 1.28 -0.81 0.00 0.00 175.30 177.92