#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 3.44 0.36 3.17 0.00 -1.26 -5.08 121.76 122.39 2k02 s ALA 2 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.22 2k02 s ALA 2 Cb 0.00 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 2k02 s ALA 2 CO 0.00 0.33 0.43 -1.12 0.00 0.00 0.00 175.76 175.40 2k02 s SER 3 N -1.51 5.64 0.65 0.00 0.01 -1.26 -4.99 113.70 112.25 2k02 s SER 3 Ca 0.40 -0.37 0.40 0.00 1.31 0.00 0.00 55.95 57.70 2k02 s SER 3 Cb -0.18 -0.99 2.24 0.00 0.21 0.00 0.00 66.02 67.30 2k02 s SER 3 CO 0.22 -0.50 2.31 0.17 0.41 0.00 0.00 173.24 175.85 2k02 h LEU 4 N 0.95 0.00 -0.64 2.44 8.10 -1.98 -2.53 115.31 121.65 2k02 h LEU 4 Ca -0.44 0.00 0.12 0.00 0.11 0.00 0.00 57.88 57.67 2k02 h LEU 4 Cb 1.26 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 41.39 2k02 h LEU 4 CO 0.53 0.00 0.17 -0.03 -4.11 0.00 0.00 178.44 175.00 2k02 h MET 5 N 0.00 0.30 0.50 0.17 4.05 -1.98 0.73 114.93 118.70 2k02 h MET 5 Ca 0.00 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 2k02 h MET 5 Cb 0.07 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2k02 h MET 5 CO -0.00 0.20 -0.30 0.93 0.23 0.00 0.00 176.91 177.97 2k02 h GLU 6 N 0.30 -0.72 -0.59 0.39 4.39 -1.86 -1.36 114.58 115.14 2k02 h GLU 6 Ca 0.34 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.19 2k02 h GLU 6 Cb 0.51 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 2k02 h GLU 6 CO -0.41 -0.48 0.40 0.28 -1.16 0.00 0.00 179.01 177.64 2k02 h VAL 7 N -0.75 0.89 0.65 3.13 2.07 -1.65 -2.38 116.25 118.22 2k02 h VAL 7 Ca -0.07 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2k02 h VAL 7 Cb 0.59 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2k02 h VAL 7 CO 0.07 0.07 -0.47 -0.09 0.02 0.00 0.00 177.57 177.18 2k02 h ARG 8 N 0.39 -1.03 -0.73 1.57 2.43 0.82 -2.42 114.38 115.42 2k02 h ARG 8 Ca 0.27 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.60 2k02 h ARG 8 Cb 0.55 0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 30.27 2k02 h ARG 8 CO -0.07 -0.69 0.39 -0.44 -1.51 0.00 0.00 179.97 177.65 2k02 h ASP 9 N -1.07 0.54 -0.25 -3.80 3.32 -0.82 1.15 116.42 115.49 2k02 h ASP 9 Ca -0.08 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.08 2k02 h ASP 9 Cb 0.88 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.31 2k02 h ASP 9 CO 0.04 0.31 -0.40 0.24 -1.72 0.00 0.00 179.24 177.71 2k02 h MET 10 N 0.67 -0.39 0.13 3.56 2.86 -1.18 -0.60 114.93 119.98 2k02 h MET 10 Ca 0.35 0.03 -0.28 0.00 -2.06 0.00 0.00 59.70 57.74 2k02 h MET 10 Cb 0.33 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2k02 h MET 10 CO -0.25 -0.26 -1.26 -0.07 1.06 0.00 0.00 176.91 176.13 2k02 h LEU 11 N -0.40 0.43 -2.57 1.22 4.07 -1.07 -3.25 115.31 113.73 2k02 h LEU 11 Ca 0.11 -0.46 0.01 0.00 0.08 0.00 0.00 57.88 57.61 2k02 h LEU 11 Cb 0.59 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 2k02 h LEU 11 CO -0.46 1.36 0.13 0.00 -1.08 0.00 0.00 178.44 178.39 2k02 h ALA 12 N 0.57 1.24 -0.83 1.53 0.00 0.17 0.94 119.26 122.89 2k02 h ALA 12 Ca -0.14 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.40 2k02 h ALA 12 Cb 1.98 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 19.55 2k02 h ALA 12 CO 0.20 -0.14 0.43 1.28 0.00 0.00 0.00 179.25 181.03 2k02 n LEU 13 N -3.17 6.19 0.16 0.00 4.77 -0.27 -4.58 117.00 120.10 2k02 n LEU 13 Ca -0.02 -3.49 0.00 0.00 -0.03 0.00 0.00 56.01 52.47 2k02 n LEU 13 Cb 0.20 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 2k02 n LEU 13 CO 0.19 0.98 0.00 0.00 -1.33 0.00 0.00 177.39 177.24 2k02 n GLN 14 N -0.80 0.00 0.00 3.23 1.13 0.13 -5.07 117.38 116.01 2k02 n GLN 14 Ca 0.50 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 2k02 n GLN 14 Cb 1.50 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.85 2k02 n GLN 14 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k02 n GLY 15 N 0.19 0.68 3.60 1.08 0.00 -0.10 -5.03 105.19 105.61 2k02 n GLY 15 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 3.41 0.07 1.61 3.00 -1.26 -3.94 118.95 121.84 2k02 s ARG 16 Ca 0.00 1.14 -0.19 0.00 0.00 0.00 0.00 55.73 56.68 2k02 s ARG 16 Cb 0.00 -4.13 0.04 0.00 0.00 0.00 0.00 34.95 30.86 2k02 s ARG 16 CO 0.00 -1.77 0.44 -1.64 0.00 0.00 0.00 175.30 172.33 2k02 s MET 17 N 5.40 1.00 0.06 3.54 -1.94 -0.86 -5.03 119.30 121.46 2k02 s MET 17 Ca 0.70 -0.42 0.02 0.00 -1.71 0.00 0.00 55.69 54.28 2k02 s MET 17 Cb -0.18 0.45 -0.04 0.00 2.01 0.00 0.00 34.83 37.07 2k02 s MET 17 CO 0.32 -0.36 0.08 -1.21 -0.01 0.00 0.00 175.02 173.84 2k02 s GLU 18 N -2.84 2.93 0.40 2.03 2.02 -1.26 -1.64 118.70 120.33 2k02 s GLU 18 Ca -0.03 -0.64 0.21 0.00 0.02 0.00 0.00 54.97 54.54 2k02 s GLU 18 Cb -0.00 -2.76 0.27 0.00 0.10 0.00 0.00 34.13 31.74 2k02 s GLU 18 CO -0.05 0.59 1.55 0.00 0.02 0.00 0.00 175.26 177.36 2k02 h ALA 19 N 3.52 0.91 0.00 5.21 0.00 -1.92 -3.23 119.26 123.75 2k02 h ALA 19 Ca -0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2k02 h ALA 19 Cb 1.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k02 h ALA 19 CO 0.65 0.12 -0.16 1.57 0.00 0.00 0.00 179.25 181.44 2k02 h LYS 20 N 0.00 0.00 0.83 0.00 2.10 -1.95 -1.90 116.57 115.65 2k02 h LYS 20 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2k02 h LYS 20 Cb 1.08 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.41 2k02 h LYS 20 CO 0.01 0.16 -0.41 1.96 -2.00 0.00 0.00 179.45 179.17 2k02 h GLN 21 N 0.00 -1.08 -0.11 0.07 4.20 -1.97 -1.33 115.11 114.89 2k02 h GLN 21 Ca -0.00 0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 2k02 h GLN 21 Cb 0.36 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2k02 h GLN 21 CO 0.02 -0.72 -0.44 1.37 -0.67 0.00 0.00 178.83 178.39 2k02 h LEU 22 N -1.13 0.26 -1.04 1.46 -0.00 -1.74 -2.49 115.31 110.63 2k02 h LEU 22 Ca -0.11 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.65 2k02 h LEU 22 Cb 0.87 -0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.41 2k02 h LEU 22 CO 0.18 0.67 0.56 0.77 -0.00 0.00 0.00 178.44 180.62 2k02 h SER 23 N 0.20 1.07 -0.01 0.17 4.64 -1.22 0.12 113.55 118.52 2k02 h SER 23 Ca 0.02 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2k02 h SER 23 Cb 0.86 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2k02 h SER 23 CO 0.07 0.81 -0.06 0.00 -0.87 0.00 0.00 176.83 176.78 2k02 h ALA 24 N 1.38 0.02 0.00 5.18 0.00 -1.08 1.27 119.26 126.03 2k02 h ALA 24 Ca 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k02 h ALA 24 Cb -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k02 h ALA 24 CO -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 179.25 179.04 2k02 h ARG 25 N -0.57 0.00 0.00 0.00 2.47 -1.29 -2.00 114.38 112.99 2k02 h ARG 25 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k02 h ARG 25 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2k02 h ARG 25 CO 0.01 0.04 -1.49 1.28 0.56 0.00 0.00 179.97 180.37 2k02 n LEU 26 N -4.27 0.42 -2.53 3.04 7.99 0.41 -5.05 117.00 117.02 2k02 n LEU 26 Ca -0.03 -0.22 -0.05 0.00 -0.01 0.00 0.00 56.01 55.70 2k02 n LEU 26 Cb 0.12 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.44 2k02 n LEU 26 CO 0.32 0.11 -0.06 0.00 -1.51 0.00 0.00 177.39 176.25 2k02 n GLN 27 N -1.88 -2.07 -3.94 3.23 6.02 0.42 -5.03 117.38 114.12 2k02 n GLN 27 Ca -0.00 1.89 -0.10 0.00 -0.01 0.00 0.00 57.00 58.78 2k02 n GLN 27 Cb 0.44 -4.69 -0.12 0.00 1.02 0.00 0.00 30.24 26.88 2k02 n GLN 27 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2k02 s THR 28 N -2.03 0.07 -0.45 5.09 -1.32 -0.10 -5.00 115.64 111.90 2k02 s THR 28 Ca 0.15 -0.55 -0.44 0.00 -1.21 0.00 0.00 61.69 59.64 2k02 s THR 28 Cb -0.04 -0.17 -0.18 0.00 -1.51 0.00 0.00 72.50 70.60 2k02 s THR 28 CO 0.60 -0.30 1.81 -2.65 -2.21 0.00 0.00 174.62 171.88 2k02 n PRO 29 N 2.19 0.27 -0.20 7.08 -0.02 -1.26 -4.80 135.00 138.25 2k02 n PRO 29 Ca -0.19 0.09 -0.07 0.00 -2.02 0.00 0.00 63.50 61.31 2k02 n PRO 29 Cb 0.57 -1.67 0.03 0.00 -0.02 0.00 0.00 33.50 32.41 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 6.98 0.78 -0.61 -0.52 1.08 -1.95 -2.99 115.11 117.88 2k02 h GLN 30 Ca -0.34 -0.09 0.10 0.00 -1.45 0.00 0.00 58.65 56.87 2k02 h GLN 30 Cb 1.37 -0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 28.57 2k02 h GLN 30 CO 1.01 0.60 0.21 -1.35 -0.95 0.00 0.00 178.83 178.35 2k02 h PRO 31 N 0.75 0.36 -0.39 1.46 0.11 -1.87 -1.97 132.00 130.46 2k02 h PRO 31 Ca 0.20 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.34 2k02 h PRO 31 Cb 0.05 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.03 2k02 h PRO 31 CO -0.03 0.24 0.10 1.25 -0.21 0.00 0.00 178.00 179.35 2k02 h LEU 32 N 0.38 0.07 -0.80 2.35 7.12 -1.78 -2.05 115.31 120.60 2k02 h LEU 32 Ca 0.31 0.06 0.19 0.00 0.13 0.00 0.00 57.88 58.56 2k02 h LEU 32 Cb 0.40 0.06 -0.12 0.00 -0.53 0.00 0.00 40.66 40.47 2k02 h LEU 32 CO -0.33 0.08 0.23 0.40 -0.13 0.00 0.00 178.44 178.68 2k02 h ILE 33 N 0.24 0.47 -1.00 4.05 1.08 -1.27 0.26 117.51 121.34 2k02 h ILE 33 Ca 0.18 -0.10 0.23 0.00 -0.39 0.00 0.00 64.86 64.78 2k02 h ILE 33 Cb 0.19 0.16 -0.10 0.00 -3.07 0.00 0.00 36.82 34.00 2k02 h ILE 33 CO -0.22 0.05 0.62 -0.78 -0.69 0.00 0.00 178.15 177.14 2k02 h ASP 34 N 0.28 0.62 1.36 1.72 3.58 -1.22 0.50 116.42 123.27 2k02 h ASP 34 Ca 0.47 0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.91 2k02 h ASP 34 Cb 0.85 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 2k02 h ASP 34 CO -0.55 0.17 -0.50 0.00 -2.88 0.00 0.00 179.24 175.48 2k02 h ALA 35 N 1.65 0.71 0.61 -0.78 0.00 -0.53 -1.77 119.26 119.16 2k02 h ALA 35 Ca 0.59 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2k02 h ALA 35 Cb 1.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k02 h ALA 35 CO -0.36 0.63 -0.29 1.98 0.00 0.00 0.00 179.25 181.21 2k02 h MET 36 N 0.00 -0.79 -0.29 0.00 1.85 0.82 0.75 114.93 117.27 2k02 h MET 36 Ca -0.01 0.05 -0.15 0.00 -0.61 0.00 0.00 59.70 58.99 2k02 h MET 36 Cb 1.32 0.18 -0.00 0.00 0.43 0.00 0.00 31.60 33.52 2k02 h MET 36 CO 0.07 -0.48 -0.40 -0.07 -0.40 0.00 0.00 176.91 175.62 2k02 h LEU 37 N -0.97 0.85 -0.82 3.39 4.07 -1.52 -2.21 115.31 118.11 2k02 h LEU 37 Ca -0.08 -0.51 0.13 0.00 0.08 0.00 0.00 57.88 57.50 2k02 h LEU 37 Cb 0.67 -0.24 -0.09 0.00 1.08 0.00 0.00 40.66 42.08 2k02 h LEU 37 CO 0.14 1.19 0.42 -0.08 -1.08 0.00 0.00 178.44 179.03 2k02 h GLU 38 N 0.54 0.62 -0.22 1.13 4.81 -1.32 0.15 114.58 120.29 2k02 h GLU 38 Ca 0.03 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2k02 h GLU 38 Cb 1.00 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2k02 h GLU 38 CO 0.09 0.41 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.64 2k02 h ARG 39 N 0.64 0.43 -0.54 1.92 2.43 -0.75 0.71 114.38 119.22 2k02 h ARG 39 Ca 0.43 -0.17 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 2k02 h ARG 39 Cb 0.55 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 2k02 h ARG 39 CO -0.33 0.67 0.26 1.98 -1.51 0.00 0.00 179.97 181.04 2k02 h MET 40 N 0.16 0.48 0.00 0.20 4.05 -0.62 -1.57 114.93 117.63 2k02 h MET 40 Ca 0.06 -0.03 -0.16 0.00 -0.28 0.00 0.00 59.70 59.29 2k02 h MET 40 Cb 0.52 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 2k02 h MET 40 CO 0.02 0.32 -0.75 1.49 0.23 0.00 0.00 176.91 178.22 2k02 h GLU 41 N 0.49 0.00 -0.41 0.39 4.22 -0.68 -3.17 114.58 115.42 2k02 h GLU 41 Ca 0.25 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.81 2k02 h GLU 41 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2k02 h GLU 41 CO -0.19 0.75 0.48 0.00 -2.18 0.00 0.00 179.01 177.87 2k02 h ALA 42 N 1.25 2.10 0.00 2.92 0.00 0.15 0.64 119.26 126.31 2k02 h ALA 42 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2k02 h ALA 42 Cb 1.45 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2k02 h ALA 42 CO 0.10 -0.69 -1.25 0.52 0.00 0.00 0.00 179.25 177.93 2k02 h MET 43 N 0.00 0.00 0.00 0.00 2.86 -1.49 -3.49 114.93 112.81 2k02 h MET 43 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2k02 h MET 43 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2k02 h MET 43 CO -0.00 0.29 0.00 0.41 1.06 0.00 0.00 176.91 178.67 2k02 n GLY 44 N 1.35 0.70 0.00 8.32 0.00 0.22 -5.12 105.19 110.67 2k02 n GLY 44 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.25 -5.02 118.16 116.50 2k02 n LYS 45 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2k02 n LYS 45 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 35.03 34.68 2k02 n LYS 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2k02 n VAL 46 N -1.47 0.00 -3.90 3.15 0.31 -1.26 -4.96 118.33 110.20 2k02 n VAL 46 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2k02 n VAL 46 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 2k02 n VAL 46 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2k02 s VAL 47 N 0.00 0.07 0.05 2.52 -7.23 -0.89 -5.06 120.40 109.86 2k02 s VAL 47 Ca 0.00 -0.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 2k02 s VAL 47 Cb 0.00 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 2k02 s VAL 47 CO 0.00 -0.32 -0.08 0.00 -0.31 0.00 0.00 175.10 174.39 2k02 s ARG 48 N -1.03 0.57 -0.29 4.82 1.70 -1.26 -1.88 118.95 121.57 2k02 s ARG 48 Ca -0.11 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 54.35 2k02 s ARG 48 Cb -0.07 -0.35 0.09 0.00 -0.57 0.00 0.00 34.95 34.06 2k02 s ARG 48 CO 0.00 0.06 0.06 0.42 -1.08 0.00 0.00 175.30 174.77 2k02 s ILE 49 N -1.44 1.20 -0.31 4.99 -1.09 0.49 -4.92 121.20 120.13 2k02 s ILE 49 Ca -0.08 -1.47 -0.20 0.00 -2.23 0.00 0.00 60.65 56.66 2k02 s ILE 49 Cb -0.10 -1.82 -0.01 0.00 -1.58 0.00 0.00 42.46 38.96 2k02 s ILE 49 CO 0.00 -0.54 0.61 -0.94 -1.23 0.00 0.00 174.94 172.85 2k02 s SER 50 N 1.47 6.46 0.19 3.58 1.04 -1.26 0.16 113.70 125.34 2k02 s SER 50 Ca 0.07 0.35 0.09 0.00 0.48 0.00 0.00 55.95 56.93 2k02 s SER 50 Cb -0.18 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 2k02 s SER 50 CO -0.18 -0.48 -0.17 -0.70 0.98 0.00 0.00 173.24 172.69 2k02 s GLU 51 N 2.58 1.34 0.17 4.02 2.56 -0.88 -4.94 118.70 123.54 2k02 s GLU 51 Ca 0.24 -1.51 0.11 0.00 0.00 0.00 0.00 54.97 53.81 2k02 s GLU 51 Cb -0.15 -1.31 -0.04 0.00 2.00 0.00 0.00 34.13 34.63 2k02 s GLU 51 CO 0.12 0.25 -0.23 -0.08 -0.56 0.00 0.00 175.26 174.76 2k02 s THR 52 N -2.40 2.18 1.00 -1.70 -1.32 -1.26 -2.09 115.64 110.05 2k02 s THR 52 Ca 0.20 -1.91 -0.11 0.00 -1.21 0.00 0.00 61.69 58.65 2k02 s THR 52 Cb -0.04 -2.00 0.18 0.00 -1.51 0.00 0.00 72.50 69.14 2k02 s THR 52 CO 0.08 -0.10 1.05 -0.24 -2.21 0.00 0.00 174.62 173.19 2k02 n SER 53 N 0.48 -0.44 -2.11 8.08 2.88 -1.26 -4.66 113.62 116.58 2k02 n SER 53 Ca -0.14 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2k02 n SER 53 Cb 0.55 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2k02 n SER 53 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k02 n GLU 54 N -4.28 -4.33 -1.47 -1.46 0.00 -1.26 -5.01 120.64 102.83 2k02 n GLU 54 Ca 0.09 3.23 0.03 0.00 0.00 0.00 0.00 57.16 60.51 2k02 n GLU 54 Cb 0.53 -4.01 0.01 0.00 0.00 0.00 0.00 31.44 27.98 2k02 n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k02 n GLY 55 N 1.52 0.96 0.20 8.31 0.00 -1.26 -4.92 105.19 110.00 2k02 n GLY 55 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 2k02 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k02 s LEU 57 N -9.04 4.08 -0.25 0.00 1.02 -1.26 -5.02 118.68 108.20 2k02 s LEU 57 Ca -0.09 -0.10 0.13 0.00 0.02 0.00 0.00 54.13 54.10 2k02 s LEU 57 Cb 0.01 -2.66 0.81 0.00 0.02 0.00 0.00 46.19 44.37 2k02 s LEU 57 CO 0.29 -0.14 1.76 -1.54 0.02 0.00 0.00 176.35 176.74 2k02 n SER 58 N -1.38 5.58 0.08 2.29 3.41 -1.26 -4.60 113.62 117.73 2k02 n SER 58 Ca -0.07 -2.99 -0.12 0.00 -0.26 0.00 0.00 58.87 55.43 2k02 n SER 58 Cb 0.58 -0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 2k02 n SER 58 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2k02 h GLY 59 N 3.73 -0.39 -4.54 5.00 0.00 -2.01 -3.42 103.07 101.45 2k02 h GLY 59 Ca 0.05 0.29 -0.69 0.00 0.00 0.00 0.00 47.33 46.97 2k02 h GLY 59 CO 0.54 -0.21 -0.85 -0.45 0.00 0.00 0.00 176.54 175.57 2k02 s SER 60 N -4.88 3.40 0.35 0.19 0.15 -1.26 -4.99 113.70 106.65 2k02 s SER 60 Ca -0.15 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.05 2k02 s SER 60 Cb 0.09 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2k02 s SER 60 CO 0.66 0.29 0.00 0.00 1.20 0.00 0.00 173.24 175.39 2k02 s LYS 62 N -2.00 2.22 -0.10 0.00 -2.85 -1.26 -4.96 119.74 110.80 2k02 s LYS 62 Ca 0.00 -2.16 -0.07 0.00 -1.00 0.00 0.00 55.97 52.75 2k02 s LYS 62 Cb 0.00 -1.85 0.03 0.00 -2.06 0.00 0.00 37.83 33.95 2k02 s LYS 62 CO 0.00 -0.45 0.13 -1.13 0.10 0.00 0.00 175.35 174.00 2k02 n SER 63 N -1.49 -3.78 -4.84 0.03 3.41 -1.26 -4.95 113.62 100.75 2k02 n SER 63 Ca -0.09 1.18 -0.35 0.00 -0.26 0.00 0.00 58.87 59.36 2k02 n SER 63 Cb 0.65 -3.53 -0.06 0.00 -0.26 0.00 0.00 64.21 61.01 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 3.22 0.05 0.00 0.00 0.13 -2.00 -3.48 132.00 129.92 2k02 h PRO 65 Ca -0.48 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2k02 h PRO 65 Cb 1.19 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2k02 h PRO 65 CO 0.66 0.31 0.08 -0.85 -0.23 0.00 0.00 178.00 177.98 2k02 n GLU 66 N -4.92 0.56 -1.64 0.86 0.00 -1.26 -5.05 120.64 109.19 2k02 n GLU 66 Ca -0.07 -1.31 -0.36 0.00 0.00 0.00 0.00 57.16 55.42 2k02 n GLU 66 Cb 0.16 1.51 0.04 0.00 0.00 0.00 0.00 31.44 33.16 2k02 n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k02 n GLY 67 N -0.30 5.42 3.39 -1.84 0.00 -1.26 -4.86 105.19 105.74 2k02 n GLY 67 Ca -0.03 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.35 2k02 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k02 s LYS 68 N -3.61 3.53 -1.23 1.61 2.20 -1.26 -4.47 119.74 116.51 2k02 s LYS 68 Ca 0.56 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2k02 s LYS 68 Cb 0.44 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 2k02 s LYS 68 CO -0.25 -0.10 0.00 0.00 -0.36 0.00 0.00 175.35 174.64 2k02 n ALA 69 N 4.56 -0.18 -1.64 3.13 0.00 -1.26 -4.92 120.51 120.20 2k02 n ALA 69 Ca -0.17 0.19 -0.44 0.00 0.00 0.00 0.00 53.44 53.02 2k02 n ALA 69 Cb 0.51 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 2k02 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k02 n ALA 70 N 1.22 1.50 -3.50 0.00 0.00 -1.26 -4.95 120.51 113.51 2k02 n ALA 70 Ca -0.12 0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 2k02 n ALA 70 Cb 0.41 -2.71 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 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 2.50 1.05 -0.07 0.00 1.70 -1.26 -4.52 118.95 118.35 2k02 s ARG 72 Ca 0.06 -1.21 -0.04 0.00 -0.47 0.00 0.00 55.73 54.08 2k02 s ARG 72 Cb -0.14 0.34 0.04 0.00 -0.57 0.00 0.00 34.95 34.62 2k02 s ARG 72 CO -0.13 -0.36 0.16 1.14 -1.08 0.00 0.00 175.30 175.03 2k02 s GLN 73 N -3.97 0.12 0.40 3.89 -2.07 -0.89 -3.11 119.66 114.03 2k02 s GLN 73 Ca 0.17 0.38 0.08 0.00 -1.82 0.00 0.00 55.36 54.16 2k02 s GLN 73 Cb 0.05 -0.14 -0.02 0.00 -1.09 0.00 0.00 33.01 31.80 2k02 s GLN 73 CO -0.01 -0.15 0.34 -1.83 -1.32 0.00 0.00 175.29 172.32 2k02 s GLU 74 N 1.06 2.55 0.16 9.60 -1.05 -1.26 -2.08 118.70 127.68 2k02 s GLU 74 Ca -0.08 -1.51 0.08 0.00 -0.15 0.00 0.00 54.97 53.32 2k02 s GLU 74 Cb -0.10 -2.36 -0.04 0.00 -0.44 0.00 0.00 34.13 31.18 2k02 s GLU 74 CO -0.06 -0.12 -0.09 -1.58 0.95 0.00 0.00 175.26 174.37 2k02 s TRP 75 N -2.44 2.66 -0.02 4.83 0.51 0.41 -3.74 118.94 121.16 2k02 s TRP 75 Ca 0.46 -0.21 0.07 0.00 -2.12 0.00 0.00 56.10 54.31 2k02 s TRP 75 Cb -0.03 -1.32 -0.02 0.00 -0.81 0.00 0.00 33.47 31.29 2k02 s TRP 75 CO 0.27 0.49 -0.24 -0.46 -0.51 0.00 0.00 176.95 176.50 2k02 s TRP 76 N -1.60 2.17 -0.12 -1.98 -0.00 -0.65 -0.38 118.94 116.38 2k02 s TRP 76 Ca 0.24 -0.41 -0.09 0.00 -0.00 0.00 0.00 56.10 55.84 2k02 s TRP 76 Cb -0.09 -1.39 0.04 0.00 -0.00 0.00 0.00 33.47 32.02 2k02 s TRP 76 CO 0.15 -0.03 0.30 0.00 -0.00 0.00 0.00 176.95 177.37 2k02 s ALA 77 N -0.58 -0.73 0.44 5.86 0.00 -0.79 -2.03 121.76 123.93 2k02 s ALA 77 Ca 0.09 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.05 2k02 s ALA 77 Cb -0.09 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.53 2k02 s ALA 77 CO -0.01 -0.16 0.53 1.28 0.00 0.00 0.00 175.76 177.39 2k02 n LEU 78 N 3.31 0.00 -0.54 0.00 4.32 -1.25 -2.09 117.00 120.75 2k02 n LEU 78 Ca -0.16 -2.02 0.14 0.00 -0.02 0.00 0.00 56.01 53.95 2k02 n LEU 78 Cb 0.57 -0.24 0.47 0.00 -1.62 0.00 0.00 43.42 42.60 2k02 n LEU 78 CO 0.15 -0.62 0.84 0.54 -1.22 0.00 0.00 177.39 177.09