#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k02 s ALA 2 N 0.00 3.35 0.16 -5.12 0.00 -1.26 -5.11 121.76 113.78 2k02 s ALA 2 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2k02 s ALA 2 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 2k02 s ALA 2 CO 0.00 0.61 0.08 -1.13 0.00 0.00 0.00 175.76 175.32 2k02 n SER 3 N 1.89 0.66 0.22 0.00 3.41 -1.26 -5.03 113.62 113.52 2k02 n SER 3 Ca -0.17 -1.90 0.15 0.00 -0.26 0.00 0.00 58.87 56.69 2k02 n SER 3 Cb 0.53 0.50 0.55 0.00 -0.26 0.00 0.00 64.21 65.54 2k02 n SER 3 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2k02 h LEU 4 N 0.00 0.00 -1.40 1.04 8.10 -2.00 -3.07 115.31 117.98 2k02 h LEU 4 Ca -0.12 0.00 0.08 0.00 0.11 0.00 0.00 57.88 57.95 2k02 h LEU 4 Cb 0.50 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.67 2k02 h LEU 4 CO 0.19 0.00 0.48 0.24 -4.11 0.00 0.00 178.44 175.24 2k02 h MET 5 N 0.00 0.69 0.65 0.17 2.86 -1.98 0.22 114.93 117.54 2k02 h MET 5 Ca 0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2k02 h MET 5 Cb 0.55 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.06 2k02 h MET 5 CO 0.00 0.45 -0.31 0.93 1.06 0.00 0.00 176.91 179.04 2k02 h GLU 6 N 0.71 -0.84 -0.75 1.72 4.39 -1.96 -2.49 114.58 115.36 2k02 h GLU 6 Ca 0.32 0.06 0.08 0.00 0.34 0.00 0.00 59.36 60.16 2k02 h GLU 6 Cb 0.34 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 2k02 h GLU 6 CO -0.11 -0.56 0.49 0.28 -1.16 0.00 0.00 179.01 177.95 2k02 h VAL 7 N -0.90 0.98 -0.16 3.13 2.07 -1.68 -1.97 116.25 117.72 2k02 h VAL 7 Ca -0.09 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.22 2k02 h VAL 7 Cb 0.67 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 2k02 h VAL 7 CO 0.15 0.13 -0.46 -0.09 0.02 0.00 0.00 177.57 177.32 2k02 h ARG 8 N 0.73 -0.49 -0.59 1.57 2.43 -0.38 0.69 114.38 118.34 2k02 h ARG 8 Ca 0.34 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.48 2k02 h ARG 8 Cb 0.36 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2k02 h ARG 8 CO -0.12 -0.32 0.11 0.22 -1.51 0.00 0.00 179.97 178.34 2k02 h ASP 9 N -0.51 0.88 -0.51 -3.80 3.58 -1.04 0.92 116.42 115.94 2k02 h ASP 9 Ca 0.07 -0.19 0.08 0.00 0.42 0.00 0.00 57.03 57.42 2k02 h ASP 9 Cb 0.64 -0.23 -0.07 0.00 1.72 0.00 0.00 39.33 41.39 2k02 h ASP 9 CO -0.43 0.88 0.14 0.24 -2.88 0.00 0.00 179.24 177.19 2k02 h MET 10 N 0.89 0.28 0.00 0.28 2.86 -0.50 -0.99 114.93 117.75 2k02 h MET 10 Ca 0.18 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.65 2k02 h MET 10 Cb 0.37 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2k02 h MET 10 CO 0.01 0.18 -0.75 -0.07 1.06 0.00 0.00 176.91 177.34 2k02 h LEU 11 N 0.29 0.00 -1.81 1.22 -0.00 -0.69 -1.04 115.31 113.27 2k02 h LEU 11 Ca 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.11 2k02 h LEU 11 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 2k02 h LEU 11 CO -0.30 0.72 -0.14 0.00 -0.00 0.00 0.00 178.44 178.71 2k02 h ALA 12 N 1.28 1.33 0.00 1.53 0.00 0.17 -1.65 119.26 121.92 2k02 h ALA 12 Ca -0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2k02 h ALA 12 Cb 1.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2k02 h ALA 12 CO 0.09 0.18 -1.40 1.28 0.00 0.00 0.00 179.25 179.40 2k02 n LEU 13 N -3.74 1.69 0.26 0.00 4.77 -0.47 -4.78 117.00 114.73 2k02 n LEU 13 Ca -0.02 0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 2k02 n LEU 13 Cb 0.25 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 2k02 n LEU 13 CO 0.31 -0.02 0.45 1.56 -1.33 0.00 0.00 177.39 178.36 2k02 h GLN 14 N -0.80 -0.65 0.00 3.23 1.08 -1.28 -3.50 115.11 113.19 2k02 h GLN 14 Ca -0.23 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2k02 h GLN 14 Cb 1.09 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2k02 h GLN 14 CO -0.14 -0.43 0.00 0.41 -0.95 0.00 0.00 178.83 177.72 2k02 n GLY 15 N -0.96 0.92 3.59 3.46 0.00 -0.62 -5.04 105.19 106.55 2k02 n GLY 15 Ca -0.08 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2k02 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k02 s ARG 16 N 0.00 3.94 0.34 1.61 3.00 -1.26 -4.51 118.95 122.07 2k02 s ARG 16 Ca 0.00 -0.34 -0.18 0.00 0.00 0.00 0.00 55.73 55.21 2k02 s ARG 16 Cb 0.00 -3.51 0.04 0.00 0.00 0.00 0.00 34.95 31.48 2k02 s ARG 16 CO 0.00 -0.05 0.77 -1.64 0.00 0.00 0.00 175.30 174.38 2k02 s MET 17 N 1.35 2.03 0.28 3.54 -1.94 -0.93 -5.02 119.30 118.61 2k02 s MET 17 Ca 0.07 -1.25 0.12 0.00 -1.71 0.00 0.00 55.69 52.92 2k02 s MET 17 Cb -0.15 0.61 -0.05 0.00 2.01 0.00 0.00 34.83 37.26 2k02 s MET 17 CO 0.06 -0.95 -0.19 -1.83 -0.01 0.00 0.00 175.02 172.11 2k02 s GLU 18 N -2.92 1.72 0.24 2.03 1.03 -1.26 -1.40 118.70 118.13 2k02 s GLU 18 Ca 0.14 -1.75 0.17 0.00 0.03 0.00 0.00 54.97 53.56 2k02 s GLU 18 Cb -0.05 -1.80 0.04 0.00 -0.80 0.00 0.00 34.13 31.52 2k02 s GLU 18 CO 0.09 0.33 1.29 0.00 -1.33 0.00 0.00 175.26 175.65 2k02 h ALA 19 N 2.25 0.69 -0.42 -0.84 0.00 -1.93 -3.30 119.26 115.71 2k02 h ALA 19 Ca -0.40 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.04 2k02 h ALA 19 Cb 1.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2k02 h ALA 19 CO 0.60 0.59 0.28 1.57 0.00 0.00 0.00 179.25 182.29 2k02 h LYS 20 N 0.00 0.54 0.68 0.00 2.10 -1.94 0.10 116.57 118.05 2k02 h LYS 20 Ca -0.04 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.54 2k02 h LYS 20 Cb 1.37 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2k02 h LYS 20 CO 0.05 0.36 -0.33 0.37 -2.00 0.00 0.00 179.45 177.90 2k02 h GLN 21 N 0.55 -0.88 0.18 0.07 5.75 -1.97 -0.48 115.11 118.33 2k02 h GLN 21 Ca 0.15 0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 2k02 h GLN 21 Cb -0.05 0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.70 2k02 h GLN 21 CO -0.03 -0.56 -0.08 -0.07 -2.65 0.00 0.00 178.83 175.44 2k02 h LEU 22 N -1.03 -0.20 -2.02 -2.39 3.38 -1.67 -1.47 115.31 109.90 2k02 h LEU 22 Ca -0.09 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 57.87 2k02 h LEU 22 Cb 0.73 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2k02 h LEU 22 CO 0.15 0.02 0.40 0.77 0.09 0.00 0.00 178.44 179.88 2k02 h SER 23 N -0.42 0.00 0.62 -0.43 4.64 -0.85 1.02 113.55 118.12 2k02 h SER 23 Ca -0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 2k02 h SER 23 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2k02 h SER 23 CO 0.04 0.00 -1.30 0.00 -0.87 0.00 0.00 176.83 174.70 2k02 h ALA 24 N 1.62 0.16 0.00 5.18 0.00 -0.64 0.55 119.26 126.13 2k02 h ALA 24 Ca 0.21 -0.94 -0.24 0.00 0.00 0.00 0.00 54.91 53.94 2k02 h ALA 24 Cb 1.02 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2k02 h ALA 24 CO -0.00 1.04 -1.30 0.00 0.00 0.00 0.00 179.25 178.98 2k02 h ARG 25 N 0.07 0.00 -0.01 0.00 2.47 0.24 -3.33 114.38 113.82 2k02 h ARG 25 Ca -0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2k02 h ARG 25 Cb 1.97 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.29 2k02 h ARG 25 CO 0.19 0.76 -0.53 1.28 0.56 0.00 0.00 179.97 182.23 2k02 n LEU 26 N -3.21 1.45 -2.04 3.04 7.99 0.33 -5.08 117.00 119.48 2k02 n LEU 26 Ca -0.07 -0.68 0.00 0.00 -0.01 0.00 0.00 56.01 55.25 2k02 n LEU 26 Cb 0.98 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.29 2k02 n LEU 26 CO 0.46 0.29 -0.42 0.00 -1.51 0.00 0.00 177.39 176.21 2k02 n GLN 27 N -0.52 -4.60 -3.63 3.23 3.00 0.18 -4.98 117.38 110.05 2k02 n GLN 27 Ca 0.06 3.38 -0.12 0.00 -0.01 0.00 0.00 57.00 60.31 2k02 n GLN 27 Cb 0.35 -3.96 -0.07 0.00 0.00 0.00 0.00 30.24 26.56 2k02 n GLN 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2k02 s THR 28 N -0.49 0.00 -0.31 5.09 2.01 -0.62 -4.95 115.64 116.37 2k02 s THR 28 Ca 0.00 0.00 -0.36 0.00 0.31 0.00 0.00 61.69 61.64 2k02 s THR 28 Cb 0.00 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.39 2k02 s THR 28 CO 0.00 0.00 2.09 -2.65 -0.69 0.00 0.00 174.62 173.37 2k02 n PRO 29 N 2.60 1.19 -0.15 4.92 -0.02 -1.26 -4.85 135.00 137.43 2k02 n PRO 29 Ca -0.14 0.36 -0.04 0.00 -2.02 0.00 0.00 63.50 61.67 2k02 n PRO 29 Cb 0.55 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.68 2k02 n PRO 29 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2k02 h GLN 30 N 11.18 0.31 -1.20 -0.52 4.20 -1.96 -2.23 115.11 124.88 2k02 h GLN 30 Ca -0.32 -0.02 0.40 0.00 0.06 0.00 0.00 58.65 58.77 2k02 h GLN 30 Cb 1.32 -0.07 -0.14 0.00 0.30 0.00 0.00 27.48 28.89 2k02 h GLN 30 CO 1.00 0.20 0.74 -1.35 -0.67 0.00 0.00 178.83 178.76 2k02 h PRO 31 N 0.31 0.13 0.12 1.46 0.11 -1.88 0.96 132.00 133.23 2k02 h PRO 31 Ca 0.23 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 66.05 2k02 h PRO 31 Cb 0.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2k02 h PRO 31 CO -0.24 0.09 -1.25 1.25 -0.21 0.00 0.00 178.00 177.63 2k02 h LEU 32 N 0.14 0.41 -0.34 2.35 7.12 -1.64 -3.31 115.31 120.04 2k02 h LEU 32 Ca 0.79 -0.44 0.07 0.00 0.13 0.00 0.00 57.88 58.44 2k02 h LEU 32 Cb 2.29 -0.13 -0.08 0.00 -0.53 0.00 0.00 40.66 42.20 2k02 h LEU 32 CO -0.50 1.35 -0.26 0.40 -0.13 0.00 0.00 178.44 179.30 2k02 h ILE 33 N 0.07 0.33 -0.61 4.05 1.08 0.12 1.28 117.51 123.83 2k02 h ILE 33 Ca -0.14 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 2k02 h ILE 33 Cb 1.97 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 36.01 2k02 h ILE 33 CO 0.20 0.00 0.37 -0.78 -0.69 0.00 0.00 178.15 177.24 2k02 h ASP 34 N -0.22 0.59 0.64 1.72 3.58 -1.12 -1.06 116.42 120.55 2k02 h ASP 34 Ca 0.17 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.53 2k02 h ASP 34 Cb 0.49 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2k02 h ASP 34 CO -0.47 0.40 -0.47 0.00 -2.88 0.00 0.00 179.24 175.82 2k02 h ALA 35 N 1.28 1.07 0.16 -0.78 0.00 -1.34 0.12 119.26 119.77 2k02 h ALA 35 Ca 0.25 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2k02 h ALA 35 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k02 h ALA 35 CO -0.12 0.59 -0.08 1.98 0.00 0.00 0.00 179.25 181.62 2k02 h MET 36 N 0.00 -0.21 0.10 0.00 1.85 0.26 0.16 114.93 117.09 2k02 h MET 36 Ca -0.00 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2k02 h MET 36 Cb 0.92 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.00 2k02 h MET 36 CO 0.06 0.08 -0.05 -0.07 -0.40 0.00 0.00 176.91 176.53 2k02 h LEU 37 N -0.49 -0.11 -1.06 3.39 3.38 -1.21 -2.49 115.31 116.71 2k02 h LEU 37 Ca -0.02 -0.36 0.25 0.00 0.09 0.00 0.00 57.88 57.83 2k02 h LEU 37 Cb 0.38 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 2k02 h LEU 37 CO 0.04 0.33 0.61 -0.08 0.09 0.00 0.00 178.44 179.42 2k02 h GLU 38 N -0.58 0.54 0.32 1.13 4.81 -0.81 0.93 114.58 120.93 2k02 h GLU 38 Ca -0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2k02 h GLU 38 Cb 0.47 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2k02 h GLU 38 CO 0.02 0.36 -0.15 -0.09 -0.73 0.00 0.00 179.01 178.42 2k02 h ARG 39 N 0.56 -0.41 -0.98 1.92 1.12 -0.88 1.34 114.38 117.04 2k02 h ARG 39 Ca 0.64 0.03 0.15 0.00 -1.11 0.00 0.00 59.98 59.68 2k02 h ARG 39 Cb 1.26 0.09 -0.09 0.00 -0.01 0.00 0.00 29.97 31.23 2k02 h ARG 39 CO -0.45 -0.10 0.61 1.98 -3.11 0.00 0.00 179.97 178.91 2k02 h MET 40 N -0.75 0.83 0.00 0.20 4.05 -0.76 0.11 114.93 118.62 2k02 h MET 40 Ca -0.04 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2k02 h MET 40 Cb 0.50 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2k02 h MET 40 CO 0.07 0.55 -0.58 1.49 0.23 0.00 0.00 176.91 178.67 2k02 h GLU 41 N 0.85 0.00 -0.45 0.39 4.22 -0.78 -3.33 114.58 115.48 2k02 h GLU 41 Ca 0.51 0.00 0.13 0.00 0.08 0.00 0.00 59.36 60.08 2k02 h GLU 41 Cb 0.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2k02 h GLU 41 CO -0.28 0.00 0.58 0.00 -2.18 0.00 0.00 179.01 177.13 2k02 h ALA 42 N 2.07 2.14 0.00 2.92 0.00 0.45 0.97 119.26 127.82 2k02 h ALA 42 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2k02 h ALA 42 Cb 0.96 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2k02 h ALA 42 CO 0.00 -0.81 -1.22 0.52 0.00 0.00 0.00 179.25 177.75 2k02 h MET 43 N 0.00 0.00 0.00 0.00 2.86 -1.67 -3.49 114.93 112.64 2k02 h MET 43 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2k02 h MET 43 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2k02 h MET 43 CO -0.00 0.36 0.00 0.41 1.06 0.00 0.00 176.91 178.74 2k02 n GLY 44 N 1.36 0.51 0.00 8.32 0.00 0.33 -5.10 105.19 110.62 2k02 n GLY 44 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2k02 n GLY 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k02 n LYS 45 N 0.00 0.00 0.00 1.61 3.00 -1.24 -5.05 118.16 116.48 2k02 n LYS 45 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 2k02 n LYS 45 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 33.92 2k02 n LYS 45 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2k02 n VAL 46 N -1.97 0.00 -3.89 3.15 0.24 -1.26 -4.99 118.33 109.61 2k02 n VAL 46 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 2k02 n VAL 46 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 2k02 n VAL 46 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2k02 s VAL 47 N 0.07 0.11 0.14 3.34 1.01 -0.64 -4.93 120.40 119.49 2k02 s VAL 47 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 2k02 s VAL 47 Cb 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2k02 s VAL 47 CO 0.00 -0.50 0.32 0.00 0.00 0.00 0.00 175.10 174.92 2k02 s ARG 48 N -2.21 1.08 -0.13 2.72 1.04 -1.26 -1.75 118.95 118.44 2k02 s ARG 48 Ca -0.08 -0.94 -0.04 0.00 -1.04 0.00 0.00 55.73 53.63 2k02 s ARG 48 Cb -0.03 0.41 0.06 0.00 -2.04 0.00 0.00 34.95 33.35 2k02 s ARG 48 CO -0.02 -0.40 0.11 0.42 -0.04 0.00 0.00 175.30 175.37 2k02 s ILE 49 N -3.88 -0.16 -0.04 4.99 1.01 -0.80 -4.88 121.20 117.45 2k02 s ILE 49 Ca 0.09 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.60 2k02 s ILE 49 Cb 0.03 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 2k02 s ILE 49 CO -0.07 -0.10 0.57 -0.94 0.00 0.00 0.00 174.94 174.40 2k02 s SER 50 N 2.20 6.89 0.03 3.58 1.04 -1.26 0.13 113.70 126.31 2k02 s SER 50 Ca 0.04 1.07 0.02 0.00 0.48 0.00 0.00 55.95 57.55 2k02 s SER 50 Cb -0.14 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 2k02 s SER 50 CO -0.08 0.06 -0.06 -0.70 0.98 0.00 0.00 173.24 173.44 2k02 s GLU 51 N 0.09 0.45 -0.09 4.02 2.56 -0.38 -4.63 118.70 120.72 2k02 s GLU 51 Ca 0.30 -0.55 0.03 0.00 0.00 0.00 0.00 54.97 54.75 2k02 s GLU 51 Cb -0.17 -0.26 0.01 0.00 2.00 0.00 0.00 34.13 35.71 2k02 s GLU 51 CO 0.15 0.05 -0.19 -0.08 -0.56 0.00 0.00 175.26 174.63 2k02 s THR 52 N -0.99 1.71 -0.22 -1.70 -1.32 -1.26 -2.27 115.64 109.58 2k02 s THR 52 Ca -0.07 -0.81 -0.30 0.00 -1.21 0.00 0.00 61.69 59.30 2k02 s THR 52 Cb -0.07 -1.51 0.16 0.00 -1.51 0.00 0.00 72.50 69.57 2k02 s THR 52 CO 0.00 0.48 1.20 -0.94 -2.21 0.00 0.00 174.62 173.15 2k02 s SER 53 N 0.56 -0.18 0.00 8.08 1.04 -1.26 -4.67 113.70 117.27 2k02 s SER 53 Ca -0.15 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2k02 s SER 53 Cb -0.17 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2k02 s SER 53 CO 0.05 -0.19 0.00 1.21 0.98 0.00 0.00 173.24 175.30 2k02 n GLU 54 N 0.50 0.00 0.00 4.02 4.07 -1.26 -4.92 120.64 123.05 2k02 n GLU 54 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2k02 n GLU 54 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 2k02 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k02 n GLY 55 N -0.67 1.25 3.19 8.31 0.00 -1.26 -5.15 105.19 110.87 2k02 n GLY 55 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2k02 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k02 n LEU 57 N -3.17 5.94 0.23 0.00 4.32 -1.26 -4.35 117.00 118.71 2k02 n LEU 57 Ca 0.06 -3.13 0.12 0.00 -0.02 0.00 0.00 56.01 53.05 2k02 n LEU 57 Cb 0.51 -0.76 0.36 0.00 -1.62 0.00 0.00 43.42 41.91 2k02 n LEU 57 CO 0.40 0.87 0.83 0.28 -1.22 0.00 0.00 177.39 178.55 2k02 h SER 58 N 1.57 0.00 -1.26 -1.43 0.02 -1.97 -3.32 113.55 107.15 2k02 h SER 58 Ca 0.40 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.67 2k02 h SER 58 Cb 2.40 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 64.78 2k02 h SER 58 CO 0.82 0.09 1.71 0.61 -1.14 0.00 0.00 176.83 178.91 2k02 n GLY 59 N 0.64 5.09 3.77 -3.77 0.00 -1.26 -4.83 105.19 104.83 2k02 n GLY 59 Ca 0.02 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 2k02 n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k02 s SER 60 N 0.16 7.19 0.65 1.61 0.15 -1.25 -4.63 113.70 117.57 2k02 s SER 60 Ca 0.54 2.04 0.00 0.00 0.70 0.00 0.00 55.95 59.23 2k02 s SER 60 Cb 0.25 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2k02 s SER 60 CO -0.14 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.11 2k02 h LYS 62 N 0.00 0.25 -7.05 0.00 2.10 -1.89 -3.40 116.57 106.58 2k02 h LYS 62 Ca 0.01 -0.43 -0.56 0.00 -2.00 0.00 0.00 60.65 57.68 2k02 h LYS 62 Cb 0.51 0.16 0.17 0.00 -0.90 0.00 0.00 32.23 32.16 2k02 h LYS 62 CO 0.00 1.10 0.37 -1.13 -2.00 0.00 0.00 179.45 177.79 2k02 n SER 63 N -3.43 1.52 -4.87 7.07 3.41 -1.26 -4.78 113.62 111.28 2k02 n SER 63 Ca -0.21 0.78 -0.32 0.00 -0.26 0.00 0.00 58.87 58.86 2k02 n SER 63 Cb 1.05 -1.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.45 2k02 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k02 h PRO 65 N 2.30 0.27 0.00 0.00 0.13 -1.92 -3.45 132.00 129.33 2k02 h PRO 65 Ca -0.47 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2k02 h PRO 65 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k02 h PRO 65 CO 0.67 0.56 0.00 -1.91 -0.23 0.00 0.00 178.00 177.09 2k02 n GLU 66 N -4.11 0.00 0.11 0.86 2.13 -1.26 -5.11 120.64 113.26 2k02 n GLU 66 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2k02 n GLU 66 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.12 2k02 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k02 n GLY 67 N 0.24 -0.34 3.54 8.31 0.00 -1.26 -5.05 105.19 110.63 2k02 n GLY 67 Ca 0.00 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2k02 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k02 s LYS 68 N -1.75 3.40 -0.33 1.61 1.02 -1.26 -5.01 119.74 117.43 2k02 s LYS 68 Ca 0.00 -0.12 -0.20 0.00 0.02 0.00 0.00 55.97 55.66 2k02 s LYS 68 Cb 0.00 -3.98 -0.00 0.00 -0.52 0.00 0.00 37.83 33.32 2k02 s LYS 68 CO 0.00 -1.28 0.63 0.00 -0.92 0.00 0.00 175.35 173.78 2k02 s ALA 69 N 3.61 3.50 -0.23 5.17 0.00 -1.26 -5.00 121.76 127.56 2k02 s ALA 69 Ca 0.31 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 51.22 2k02 s ALA 69 Cb -0.12 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 2k02 s ALA 69 CO 0.22 -1.20 2.16 0.00 0.00 0.00 0.00 175.76 176.95 2k02 n ALA 70 N 5.96 1.47 -2.31 0.00 0.00 -1.26 -4.13 120.51 120.24 2k02 n ALA 70 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k02 n ALA 70 Cb 0.49 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2k02 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k02 s ARG 72 N -0.56 0.41 -0.08 0.00 1.70 -1.26 -4.20 118.95 114.96 2k02 s ARG 72 Ca 0.00 -0.09 -0.07 0.00 -0.47 0.00 0.00 55.73 55.10 2k02 s ARG 72 Cb 0.00 -0.44 0.03 0.00 -0.57 0.00 0.00 34.95 33.97 2k02 s ARG 72 CO 0.00 0.02 0.22 1.14 -1.08 0.00 0.00 175.30 175.59 2k02 s GLN 73 N 0.30 0.23 0.52 3.89 -2.07 -0.96 -2.14 119.66 119.42 2k02 s GLN 73 Ca -0.03 0.36 0.04 0.00 -1.82 0.00 0.00 55.36 53.91 2k02 s GLN 73 Cb -0.06 0.04 0.01 0.00 -1.09 0.00 0.00 33.01 31.91 2k02 s GLN 73 CO -0.00 -0.07 0.24 -1.83 -1.32 0.00 0.00 175.29 172.31 2k02 s GLU 74 N 0.45 2.23 0.14 9.60 -1.05 -1.26 -1.25 118.70 127.57 2k02 s GLU 74 Ca -0.03 -2.12 0.06 0.00 -0.15 0.00 0.00 54.97 52.73 2k02 s GLU 74 Cb -0.04 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 31.71 2k02 s GLU 74 CO -0.02 -0.47 0.03 -1.58 0.95 0.00 0.00 175.26 174.17 2k02 s TRP 75 N -2.79 2.97 -0.21 4.83 0.51 0.36 -3.57 118.94 121.04 2k02 s TRP 75 Ca 0.25 -0.07 0.01 0.00 -2.12 0.00 0.00 56.10 54.18 2k02 s TRP 75 Cb -0.00 -1.47 0.04 0.00 -0.81 0.00 0.00 33.47 31.23 2k02 s TRP 75 CO 0.15 0.50 -0.11 -0.46 -0.51 0.00 0.00 176.95 176.53 2k02 s TRP 76 N -1.58 2.58 0.04 -1.98 -0.00 -0.50 -1.90 118.94 115.60 2k02 s TRP 76 Ca 0.28 -1.72 0.01 0.00 -0.00 0.00 0.00 56.10 54.66 2k02 s TRP 76 Cb -0.10 -1.70 -0.03 0.00 -0.00 0.00 0.00 33.47 31.64 2k02 s TRP 76 CO 0.20 -0.77 -0.05 0.00 -0.00 0.00 0.00 176.95 176.33 2k02 s ALA 77 N 1.34 0.42 0.27 5.86 0.00 -0.72 -2.18 121.76 126.76 2k02 s ALA 77 Ca -0.02 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.16 2k02 s ALA 77 Cb -0.17 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2k02 s ALA 77 CO -0.08 -0.16 0.37 -0.51 0.00 0.00 0.00 175.76 175.38 2k02 s LEU 78 N -1.93 4.16 0.00 0.00 1.02 -1.26 -1.62 118.68 119.05 2k02 s LEU 78 Ca -0.07 -0.05 0.17 0.00 0.02 0.00 0.00 54.13 54.20 2k02 s LEU 78 Cb -0.05 -2.76 0.13 0.00 0.02 0.00 0.00 46.19 43.53 2k02 s LEU 78 CO -0.03 -0.17 1.04 -2.11 0.02 0.00 0.00 176.35 175.10