#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 3.20 0.92 3.17 0.00 -1.26 -5.09 121.76 122.70 2k02 s ALA 2 Ca 0.00 -1.63 -0.02 0.00 0.00 0.00 0.00 51.96 50.31 2k02 s ALA 2 Cb 0.00 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.72 2k02 s ALA 2 CO 0.00 -1.23 0.17 -1.13 0.00 0.00 0.00 175.76 173.57 2k02 n SER 3 N 4.94 0.03 0.33 0.00 3.41 -1.26 -4.85 113.62 116.22 2k02 n SER 3 Ca -0.13 -1.07 0.18 0.00 -0.26 0.00 0.00 58.87 57.59 2k02 n SER 3 Cb 0.46 -0.13 0.96 0.00 -0.26 0.00 0.00 64.21 65.25 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 -2.07 1.04 8.10 -1.95 -0.87 115.31 119.57 2k02 h LEU 4 Ca -0.05 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.03 2k02 h LEU 4 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.36 2k02 h LEU 4 CO 0.04 0.00 0.25 0.00 -4.11 0.00 0.00 178.44 174.62 2k02 h MET 5 N 0.00 0.00 0.65 0.17 -0.00 -1.93 -1.11 114.93 112.70 2k02 h MET 5 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 2k02 h MET 5 Cb 0.41 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.01 2k02 h MET 5 CO 0.00 0.00 -0.31 1.49 -0.00 0.00 0.00 176.91 178.09 2k02 h GLU 6 N 0.00 -0.84 -0.34 -0.10 4.57 -1.48 -2.41 114.58 113.98 2k02 h GLU 6 Ca 0.15 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 2k02 h GLU 6 Cb 0.65 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 2k02 h GLU 6 CO -0.00 -0.56 0.19 -0.39 -1.18 0.00 0.00 179.01 177.07 2k02 h VAL 7 N -0.88 1.11 0.01 0.32 -1.51 -1.69 -2.41 116.25 111.20 2k02 h VAL 7 Ca -0.09 -0.27 0.03 0.00 -1.23 0.00 0.00 66.70 65.13 2k02 h VAL 7 Cb 0.67 0.65 -0.06 0.00 -2.13 0.00 0.00 31.29 30.42 2k02 h VAL 7 CO 0.15 0.12 -0.46 -0.09 -1.23 0.00 0.00 177.57 176.05 2k02 h ARG 8 N 0.47 -0.60 -0.45 5.19 2.43 -1.06 -0.66 114.38 119.72 2k02 h ARG 8 Ca 0.12 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2k02 h ARG 8 Cb 0.01 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2k02 h ARG 8 CO -0.02 -0.40 0.18 0.22 -1.51 0.00 0.00 179.97 178.44 2k02 h ASP 9 N -0.62 0.61 -0.67 -3.80 1.82 -1.22 -0.72 116.42 111.84 2k02 h ASP 9 Ca 0.03 -0.17 0.14 0.00 -0.39 0.00 0.00 57.03 56.65 2k02 h ASP 9 Cb 0.69 -0.16 -0.11 0.00 0.68 0.00 0.00 39.33 40.43 2k02 h ASP 9 CO -0.33 0.61 0.06 0.24 -1.61 0.00 0.00 179.24 178.21 2k02 h MET 10 N 0.58 0.16 -0.01 0.28 2.86 -0.95 0.09 114.93 117.94 2k02 h MET 10 Ca 0.15 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 2k02 h MET 10 Cb 0.19 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2k02 h MET 10 CO -0.01 0.11 -0.85 -0.07 1.06 0.00 0.00 176.91 177.15 2k02 h LEU 11 N 0.17 0.30 -1.35 1.22 3.38 -0.96 -3.20 115.31 114.87 2k02 h LEU 11 Ca 0.36 -0.23 0.15 0.00 0.09 0.00 0.00 57.88 58.25 2k02 h LEU 11 Cb 0.60 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 2k02 h LEU 11 CO -0.53 1.01 0.57 0.00 0.09 0.00 0.00 178.44 179.58 2k02 h ALA 12 N 0.97 1.91 -0.01 1.53 0.00 0.56 0.88 119.26 125.11 2k02 h ALA 12 Ca -0.04 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k02 h ALA 12 Cb 1.46 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2k02 h ALA 12 CO 0.13 -0.16 -0.33 -0.07 0.00 0.00 0.00 179.25 178.82 2k02 h LEU 13 N 0.62 -0.98 0.00 0.00 3.38 -1.35 -3.39 115.31 113.58 2k02 h LEU 13 Ca 0.44 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.54 2k02 h LEU 13 Cb 0.80 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2k02 h LEU 13 CO -0.20 -0.39 -0.25 0.00 0.09 0.00 0.00 178.44 177.70 2k02 n GLN 14 N -5.41 0.13 0.00 1.13 6.02 -0.80 -5.16 117.38 113.30 2k02 n GLN 14 Ca -0.05 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k02 n GLN 14 Cb 0.33 -0.62 0.00 0.00 1.02 0.00 0.00 30.24 30.97 2k02 n GLN 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k02 n GLY 15 N 2.21 2.23 3.19 1.08 0.00 0.30 -5.06 105.19 109.13 2k02 n GLY 15 Ca -0.03 -2.02 -0.05 0.00 0.00 0.00 0.00 46.02 43.92 2k02 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k02 n ARG 16 N 0.60 -1.38 -3.83 1.61 3.00 -1.24 -5.01 116.66 110.40 2k02 n ARG 16 Ca 0.00 1.35 -0.08 0.00 -0.01 0.00 0.00 57.85 59.11 2k02 n ARG 16 Cb 0.00 -5.22 0.01 0.00 0.00 0.00 0.00 32.46 27.25 2k02 n ARG 16 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 2k02 s MET 17 N -3.39 2.03 0.24 5.56 -1.94 -0.93 -5.02 119.30 115.86 2k02 s MET 17 Ca 0.02 -1.24 0.10 0.00 -1.71 0.00 0.00 55.69 52.86 2k02 s MET 17 Cb -0.00 0.61 -0.04 0.00 2.01 0.00 0.00 34.83 37.41 2k02 s MET 17 CO 0.77 -0.94 -0.08 -1.21 -0.01 0.00 0.00 175.02 173.55 2k02 s GLU 18 N -2.97 2.08 0.28 2.03 2.02 -1.26 -1.30 118.70 119.58 2k02 s GLU 18 Ca 0.14 -1.45 0.24 0.00 0.02 0.00 0.00 54.97 53.92 2k02 s GLU 18 Cb -0.05 -2.07 0.41 0.00 0.10 0.00 0.00 34.13 32.52 2k02 s GLU 18 CO 0.09 0.38 1.51 0.00 0.02 0.00 0.00 175.26 177.26 2k02 h ALA 19 N 2.30 0.84 -0.71 5.21 0.00 -1.94 -3.32 119.26 121.64 2k02 h ALA 19 Ca -0.44 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.51 2k02 h ALA 19 Cb 1.24 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2k02 h ALA 19 CO 0.58 0.00 0.43 1.57 0.00 0.00 0.00 179.25 181.83 2k02 h LYS 20 N 0.00 0.80 0.07 0.00 2.10 -1.95 -0.09 116.57 117.51 2k02 h LYS 20 Ca 0.00 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.62 2k02 h LYS 20 Cb 0.88 -0.18 -0.05 0.00 -0.90 0.00 0.00 32.23 31.98 2k02 h LYS 20 CO 0.00 0.53 -0.46 1.96 -2.00 0.00 0.00 179.45 179.48 2k02 h GLN 21 N 0.83 -0.64 0.00 0.07 1.08 -1.98 0.16 115.11 114.63 2k02 h GLN 21 Ca 0.29 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 2k02 h GLN 21 Cb 0.07 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2k02 h GLN 21 CO -0.13 -0.43 0.00 1.37 -0.95 0.00 0.00 178.83 178.69 2k02 h LEU 22 N -0.66 0.00 -0.34 1.46 8.10 -1.71 -1.74 115.31 120.42 2k02 h LEU 22 Ca 0.02 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.84 2k02 h LEU 22 Cb 0.70 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.90 2k02 h LEU 22 CO -0.29 0.00 -0.83 -1.28 -4.11 0.00 0.00 178.44 171.92 2k02 h SER 23 N 0.00 0.04 0.39 0.17 0.87 0.11 -3.02 113.55 112.10 2k02 h SER 23 Ca 0.00 -0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.21 2k02 h SER 23 Cb 0.26 -0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2k02 h SER 23 CO 0.00 0.85 -1.44 0.00 -0.53 0.00 0.00 176.83 175.72 2k02 h ALA 24 N 1.15 -0.03 -0.60 6.23 0.00 0.07 1.16 119.26 127.23 2k02 h ALA 24 Ca -0.01 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 2k02 h ALA 24 Cb 1.47 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 2k02 h ALA 24 CO 0.11 0.84 0.32 0.00 0.00 0.00 0.00 179.25 180.52 2k02 h ARG 25 N 0.12 0.83 0.00 0.00 2.47 -1.49 -2.98 114.38 113.33 2k02 h ARG 25 Ca -0.23 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 2k02 h ARG 25 Cb 2.10 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 30.25 2k02 h ARG 25 CO 0.24 0.62 -1.46 1.28 0.56 0.00 0.00 179.97 181.21 2k02 n LEU 26 N -4.38 0.21 -2.35 3.04 7.99 -1.14 -5.07 117.00 115.29 2k02 n LEU 26 Ca 0.06 -0.14 -0.00 0.00 -0.01 0.00 0.00 56.01 55.91 2k02 n LEU 26 Cb 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 2k02 n LEU 26 CO 0.37 0.05 -0.33 0.00 -1.51 0.00 0.00 177.39 175.98 2k02 n GLN 27 N -1.87 -2.42 -4.17 3.23 6.02 0.39 -5.07 117.38 113.49 2k02 n GLN 27 Ca -0.01 2.09 -0.16 0.00 -0.01 0.00 0.00 57.00 58.91 2k02 n GLN 27 Cb 0.37 -4.09 -0.13 0.00 1.02 0.00 0.00 30.24 27.42 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 -1.19 0.68 -0.67 5.09 -1.32 -0.37 -5.00 115.64 112.86 2k02 s THR 28 Ca 0.01 -0.84 -0.39 0.00 -1.21 0.00 0.00 61.69 59.26 2k02 s THR 28 Cb -0.00 -0.66 -0.20 0.00 -1.51 0.00 0.00 72.50 70.13 2k02 s THR 28 CO 0.55 -0.14 2.33 -2.65 -2.21 0.00 0.00 174.62 172.50 2k02 n PRO 29 N 1.97 0.03 -0.24 7.08 -0.02 -1.26 -4.80 135.00 137.74 2k02 n PRO 29 Ca -0.19 0.01 0.02 0.00 -2.02 0.00 0.00 63.50 61.32 2k02 n PRO 29 Cb 0.56 -1.53 0.15 0.00 -0.02 0.00 0.00 33.50 32.65 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 10.14 0.51 -1.33 -0.52 4.20 -1.95 -1.29 115.11 124.87 2k02 h GLN 30 Ca -0.09 -0.03 0.39 0.00 0.06 0.00 0.00 58.65 58.98 2k02 h GLN 30 Cb 1.38 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.99 2k02 h GLN 30 CO 1.19 0.34 1.01 -1.35 -0.67 0.00 0.00 178.83 179.35 2k02 h PRO 31 N 0.53 0.00 0.18 1.46 0.11 -1.87 0.66 132.00 133.07 2k02 h PRO 31 Ca 0.36 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.16 2k02 h PRO 31 Cb 0.44 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.59 2k02 h PRO 31 CO -0.31 0.00 -1.35 1.25 -0.21 0.00 0.00 178.00 177.37 2k02 h LEU 32 N 0.00 0.84 -0.27 2.35 7.12 -1.56 -3.29 115.31 120.49 2k02 h LEU 32 Ca 0.63 -0.83 0.06 0.00 0.13 0.00 0.00 57.88 57.87 2k02 h LEU 32 Cb 2.64 -0.27 -0.08 0.00 -0.53 0.00 0.00 40.66 42.42 2k02 h LEU 32 CO -0.01 1.64 -0.28 0.40 -0.13 0.00 0.00 178.44 180.06 2k02 h ILE 33 N 0.21 0.32 -0.71 4.05 1.08 0.37 0.44 117.51 123.26 2k02 h ILE 33 Ca -0.22 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.45 2k02 h ILE 33 Cb 2.04 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 2k02 h ILE 33 CO 0.25 0.00 0.50 -0.78 -0.69 0.00 0.00 178.15 177.44 2k02 h ASP 34 N -0.28 0.08 1.41 1.72 1.82 -1.41 0.57 116.42 120.34 2k02 h ASP 34 Ca 0.14 0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.68 2k02 h ASP 34 Cb 0.50 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 2k02 h ASP 34 CO -0.43 0.04 -0.60 0.00 -1.61 0.00 0.00 179.24 176.64 2k02 h ALA 35 N 1.65 0.67 0.05 -0.78 0.00 -0.45 -1.89 119.26 118.51 2k02 h ALA 35 Ca 0.34 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k02 h ALA 35 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k02 h ALA 35 CO -0.03 0.66 -0.02 0.52 0.00 0.00 0.00 179.25 180.37 2k02 h MET 36 N 0.00 -0.06 0.05 0.00 2.86 0.42 0.12 114.93 118.32 2k02 h MET 36 Ca -0.02 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 2k02 h MET 36 Cb 1.41 0.01 0.02 0.00 0.06 0.00 0.00 31.60 33.09 2k02 h MET 36 CO 0.06 0.19 -0.66 -0.07 1.06 0.00 0.00 176.91 177.49 2k02 h LEU 37 N -0.31 0.50 -0.85 1.22 4.07 -1.56 -2.29 115.31 116.09 2k02 h LEU 37 Ca -0.01 -0.83 0.09 0.00 0.08 0.00 0.00 57.88 57.21 2k02 h LEU 37 Cb 0.28 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 41.80 2k02 h LEU 37 CO 0.01 1.27 0.50 -0.08 -1.08 0.00 0.00 178.44 179.06 2k02 h GLU 38 N -0.22 0.82 -0.05 1.13 4.81 -1.40 -1.49 114.58 118.18 2k02 h GLU 38 Ca -0.10 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 2k02 h GLU 38 Cb 1.42 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 2k02 h GLU 38 CO 0.13 0.54 -0.06 0.00 -0.73 0.00 0.00 179.01 178.89 2k02 h ARG 39 N 0.84 0.13 -0.74 1.92 2.47 -1.04 0.29 114.38 118.26 2k02 h ARG 39 Ca 0.40 -0.07 0.16 0.00 -1.26 0.00 0.00 59.98 59.21 2k02 h ARG 39 Cb 0.34 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.55 2k02 h ARG 39 CO -0.23 0.61 0.20 1.98 0.56 0.00 0.00 179.97 183.09 2k02 h MET 40 N -0.34 0.29 0.00 0.04 4.05 -0.97 0.67 114.93 118.68 2k02 h MET 40 Ca 0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2k02 h MET 40 Cb 0.59 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 2k02 h MET 40 CO 0.01 0.19 -0.63 1.49 0.23 0.00 0.00 176.91 178.21 2k02 h GLU 41 N 0.30 0.00 -0.50 0.39 4.22 -1.30 -3.33 114.58 114.36 2k02 h GLU 41 Ca 0.42 0.00 0.15 0.00 0.08 0.00 0.00 59.36 60.00 2k02 h GLU 41 Cb 0.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2k02 h GLU 41 CO -0.49 0.00 0.59 0.00 -2.18 0.00 0.00 179.01 176.93 2k02 h ALA 42 N 2.02 2.23 0.00 2.92 0.00 0.20 0.70 119.26 127.33 2k02 h ALA 42 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2k02 h ALA 42 Cb 0.99 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2k02 h ALA 42 CO 0.00 -0.85 -1.70 0.00 0.00 0.00 0.00 179.25 176.70 2k02 n MET 43 N -3.56 0.64 0.00 0.00 0.00 -1.21 -5.00 117.12 107.99 2k02 n MET 43 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.93 2k02 n MET 43 Cb 0.78 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 32.29 2k02 n MET 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k02 n GLY 44 N 1.46 0.51 0.00 3.17 0.00 0.24 -5.11 105.19 105.47 2k02 n GLY 44 Ca -0.14 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -5.03 118.16 116.49 2k02 n LYS 45 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 2k02 n LYS 45 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.24 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 -1.11 0.00 -3.83 3.15 0.31 -1.26 -5.04 118.33 110.54 2k02 n VAL 46 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2k02 n VAL 46 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 2k02 n VAL 46 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2k02 s VAL 47 N 0.03 -0.02 0.13 2.52 0.11 -0.84 -5.04 120.40 117.29 2k02 s VAL 47 Ca 0.00 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2k02 s VAL 47 Cb 0.00 -0.07 -0.04 0.00 -1.53 0.00 0.00 36.38 34.74 2k02 s VAL 47 CO 0.00 0.03 -0.03 0.00 -3.33 0.00 0.00 175.10 171.77 2k02 s ARG 48 N 0.39 0.96 -0.21 1.54 1.04 -1.26 -0.91 118.95 120.49 2k02 s ARG 48 Ca -0.03 -1.42 -0.04 0.00 -1.04 0.00 0.00 55.73 53.20 2k02 s ARG 48 Cb -0.04 -0.23 0.09 0.00 -2.04 0.00 0.00 34.95 32.73 2k02 s ARG 48 CO -0.01 -0.07 0.19 0.42 -0.04 0.00 0.00 175.30 175.79 2k02 s ILE 49 N -3.65 -0.25 -0.09 4.99 1.01 0.74 -4.91 121.20 119.04 2k02 s ILE 49 Ca 0.17 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 2k02 s ILE 49 Cb 0.06 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 2k02 s ILE 49 CO -0.01 -0.31 1.16 -0.94 0.00 0.00 0.00 174.94 174.84 2k02 s SER 50 N 2.26 7.08 0.02 3.58 1.04 -1.26 0.10 113.70 126.52 2k02 s SER 50 Ca 0.06 1.72 0.04 0.00 0.48 0.00 0.00 55.95 58.25 2k02 s SER 50 Cb -0.16 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 2k02 s SER 50 CO -0.16 -0.58 -0.14 -0.70 0.98 0.00 0.00 173.24 172.64 2k02 s GLU 51 N 2.37 0.99 -0.17 4.02 2.12 -0.57 -4.95 118.70 122.51 2k02 s GLU 51 Ca 0.53 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 55.25 2k02 s GLU 51 Cb -0.22 -0.98 0.03 0.00 0.26 0.00 0.00 34.13 33.22 2k02 s GLU 51 CO 0.19 0.25 -0.13 -0.08 -0.54 0.00 0.00 175.26 174.95 2k02 s THR 52 N -0.59 1.65 -0.03 -1.70 -1.32 -1.26 -1.98 115.64 110.40 2k02 s THR 52 Ca 0.03 -0.79 -0.13 0.00 -1.21 0.00 0.00 61.69 59.59 2k02 s THR 52 Cb -0.06 -1.60 0.02 0.00 -1.51 0.00 0.00 72.50 69.35 2k02 s THR 52 CO 0.00 0.37 0.29 -0.44 -2.21 0.00 0.00 174.62 172.63 2k02 s SER 53 N 1.44 -0.19 0.14 8.08 0.01 -1.26 -5.05 113.70 116.86 2k02 s SER 53 Ca 0.03 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2k02 s SER 53 Cb -0.14 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2k02 s SER 53 CO -0.10 -0.37 0.00 1.21 0.41 0.00 0.00 173.24 174.39 2k02 n GLU 54 N 1.64 0.00 -1.01 12.44 2.13 -1.26 -4.96 120.64 129.61 2k02 n GLU 54 Ca -0.20 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.49 2k02 n GLU 54 Cb 0.56 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.46 2k02 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k02 n GLY 55 N -1.43 4.86 1.44 8.31 0.00 -1.26 -5.08 105.19 112.03 2k02 n GLY 55 Ca 0.00 -1.26 0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.23 0.00 0.14 0.00 -0.00 -1.26 -5.02 117.00 106.63 2k02 n LEU 57 Ca -0.01 -0.78 0.02 0.00 -0.00 0.00 0.00 56.01 55.23 2k02 n LEU 57 Cb 0.67 2.07 0.10 0.00 -0.00 0.00 0.00 43.42 46.27 2k02 n LEU 57 CO 0.02 -0.26 0.48 0.28 -0.00 0.00 0.00 177.39 177.91 2k02 h SER 58 N 1.81 0.00 -6.30 1.45 0.02 -2.00 -3.47 113.55 105.06 2k02 h SER 58 Ca -0.22 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.27 2k02 h SER 58 Cb 1.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2k02 h SER 58 CO 0.30 0.55 -0.83 0.61 -1.14 0.00 0.00 176.83 176.33 2k02 n GLY 59 N 0.92 -0.34 0.11 -3.77 0.00 -1.26 -4.87 105.19 95.99 2k02 n GLY 59 Ca 0.01 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2k02 n GLY 59 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k02 h SER 60 N -1.89 0.00 -3.02 1.61 0.87 -1.92 -3.48 113.55 105.73 2k02 h SER 60 Ca -0.61 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 59.87 2k02 h SER 60 Cb 1.37 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 2k02 h SER 60 CO 0.62 0.72 0.16 0.00 -0.53 0.00 0.00 176.83 177.81 2k02 h LYS 62 N 0.00 0.80 -6.96 0.00 2.10 -2.04 -3.45 116.57 107.03 2k02 h LYS 62 Ca -0.29 -0.38 -0.38 0.00 -2.00 0.00 0.00 60.65 57.61 2k02 h LYS 62 Cb 1.11 -0.01 0.22 0.00 -0.90 0.00 0.00 32.23 32.65 2k02 h LYS 62 CO 0.37 1.01 -0.16 0.45 -2.00 0.00 0.00 179.45 179.12 2k02 n SER 63 N -4.23 -3.98 -4.40 7.07 2.88 -1.26 -5.06 113.62 104.64 2k02 n SER 63 Ca -0.02 -0.81 -0.24 0.00 -1.33 0.00 0.00 58.87 56.47 2k02 n SER 63 Cb 0.45 -1.03 -0.11 0.00 -0.75 0.00 0.00 64.21 62.77 2k02 n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k02 h PRO 65 N 2.91 0.00 0.00 0.00 0.13 -1.98 -3.39 132.00 129.67 2k02 h PRO 65 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2k02 h PRO 65 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k02 h PRO 65 CO 0.53 0.13 -0.07 -1.91 -0.23 0.00 0.00 178.00 176.45 2k02 n GLU 66 N -3.58 0.00 0.00 0.86 4.07 -1.26 -5.06 120.64 115.67 2k02 n GLU 66 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 2k02 n GLU 66 Cb 0.26 -0.17 0.00 0.00 -0.06 0.00 0.00 31.44 31.47 2k02 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k02 n GLY 67 N 1.62 2.04 3.61 8.31 0.00 -1.26 -5.05 105.19 114.46 2k02 n GLY 67 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 3.38 0.33 1.61 2.47 -1.26 -4.92 119.74 121.35 2k02 s LYS 68 Ca 0.00 1.89 -0.09 0.00 -1.56 0.00 0.00 55.97 56.21 2k02 s LYS 68 Cb 0.00 -4.26 0.01 0.00 -1.46 0.00 0.00 37.83 32.12 2k02 s LYS 68 CO 0.00 -1.81 0.56 0.00 0.16 0.00 0.00 175.35 174.26 2k02 s ALA 69 N 7.10 0.10 0.28 3.13 0.00 -1.26 -5.13 121.76 125.99 2k02 s ALA 69 Ca 0.90 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 2k02 s ALA 69 Cb -0.30 1.01 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2k02 s ALA 69 CO 0.35 -0.86 0.58 0.00 0.00 0.00 0.00 175.76 175.83 2k02 s ALA 70 N -3.11 -0.46 -0.33 0.00 0.00 -1.26 -5.05 121.76 111.55 2k02 s ALA 70 Ca 0.24 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 2k02 s ALA 70 Cb -0.02 0.97 0.02 0.00 0.00 0.00 0.00 23.12 24.09 2k02 s ALA 70 CO 0.15 -0.91 0.34 0.00 0.00 0.00 0.00 175.76 175.33 2k02 s ARG 72 N -2.05 3.54 -0.17 0.00 0.52 -1.26 -4.66 118.95 114.88 2k02 s ARG 72 Ca 0.16 -0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 55.07 2k02 s ARG 72 Cb -0.03 -2.76 0.08 0.00 0.52 0.00 0.00 34.95 32.76 2k02 s ARG 72 CO 0.68 0.31 0.28 1.14 0.02 0.00 0.00 175.30 177.74 2k02 s GLN 73 N -3.56 0.20 0.64 3.54 -2.07 -0.84 -3.01 119.66 114.57 2k02 s GLN 73 Ca 0.40 0.61 0.06 0.00 -1.82 0.00 0.00 55.36 54.61 2k02 s GLN 73 Cb -0.11 -0.35 0.11 0.00 -1.09 0.00 0.00 33.01 31.58 2k02 s GLN 73 CO 0.30 -0.43 0.89 -1.21 -1.32 0.00 0.00 175.29 173.53 2k02 s GLU 74 N 2.43 2.00 -0.15 9.60 0.41 -1.26 -1.52 118.70 130.22 2k02 s GLU 74 Ca 0.04 -1.48 0.00 0.00 -0.41 0.00 0.00 54.97 53.13 2k02 s GLU 74 Cb -0.13 -2.52 0.03 0.00 -1.78 0.00 0.00 34.13 29.73 2k02 s GLU 74 CO -0.11 -1.15 -0.10 -0.46 -0.49 0.00 0.00 175.26 172.95 2k02 s TRP 75 N -2.88 1.95 -0.18 1.61 -0.11 0.28 -4.04 118.94 115.58 2k02 s TRP 75 Ca 0.64 -1.13 -0.11 0.00 1.22 0.00 0.00 56.10 56.72 2k02 s TRP 75 Cb -0.05 -1.46 -0.05 0.00 -1.50 0.00 0.00 33.47 30.41 2k02 s TRP 75 CO 0.42 -0.63 0.17 -0.46 -4.62 0.00 0.00 176.95 171.82 2k02 s TRP 76 N 1.55 3.44 -0.02 5.86 -0.00 -0.42 -0.19 118.94 129.17 2k02 s TRP 76 Ca 0.03 0.41 -0.08 0.00 -0.00 0.00 0.00 56.10 56.46 2k02 s TRP 76 Cb -0.14 -2.18 0.01 0.00 -0.00 0.00 0.00 33.47 31.16 2k02 s TRP 76 CO -0.09 0.32 0.17 0.00 -0.00 0.00 0.00 176.95 177.35 2k02 s ALA 77 N 0.25 -0.42 0.53 5.86 0.00 -0.08 -2.19 121.76 125.70 2k02 s ALA 77 Ca 0.11 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2k02 s ALA 77 Cb -0.12 -0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.06 2k02 s ALA 77 CO -0.00 -0.18 0.57 1.28 0.00 0.00 0.00 175.76 177.43 2k02 n LEU 78 N 1.90 0.00 0.00 0.00 4.32 -1.26 -1.99 117.00 119.96 2k02 n LEU 78 Ca -0.20 -1.33 0.08 0.00 -0.02 0.00 0.00 56.01 54.55 2k02 n LEU 78 Cb 0.57 -0.35 0.48 0.00 -1.62 0.00 0.00 43.42 42.49 2k02 n LEU 78 CO 0.21 -0.75 0.68 0.54 -1.22 0.00 0.00 177.39 176.85