#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 -1.26 0.25 3.04 0.00 -1.26 -5.19 121.76 117.34 2k02 s ALA 2 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.68 2k02 s ALA 2 Cb 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 2k02 s ALA 2 CO 0.00 -1.03 0.26 0.43 0.00 0.00 0.00 175.76 175.42 2k02 n SER 3 N -0.80 -0.69 0.19 0.00 7.64 -1.26 -5.02 113.62 113.68 2k02 n SER 3 Ca -0.05 -2.54 0.14 0.00 1.01 0.00 0.00 58.87 57.42 2k02 n SER 3 Cb 0.60 1.46 0.63 0.00 -1.01 0.00 0.00 64.21 65.88 2k02 n SER 3 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2k02 h LEU 4 N 0.00 0.00 -1.29 -3.43 8.10 -2.00 -2.87 115.31 113.82 2k02 h LEU 4 Ca -0.18 0.00 0.17 0.00 0.11 0.00 0.00 57.88 57.98 2k02 h LEU 4 Cb 0.88 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.03 2k02 h LEU 4 CO 0.26 0.00 0.59 -0.03 -4.11 0.00 0.00 178.44 175.15 2k02 h MET 5 N 0.00 0.62 0.62 0.17 4.05 -1.98 0.74 114.93 119.16 2k02 h MET 5 Ca 0.00 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 2k02 h MET 5 Cb 0.27 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2k02 h MET 5 CO 0.00 0.41 -0.30 0.93 0.23 0.00 0.00 176.91 178.18 2k02 h GLU 6 N 0.64 -0.80 0.00 0.39 4.39 -1.93 -2.36 114.58 114.90 2k02 h GLU 6 Ca 0.48 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.24 2k02 h GLU 6 Cb 0.88 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2k02 h GLU 6 CO -0.23 -0.53 -0.00 -0.24 -1.16 0.00 0.00 179.01 176.84 2k02 h VAL 7 N -0.93 0.89 0.36 3.13 3.04 -1.65 -2.40 116.25 118.69 2k02 h VAL 7 Ca -0.09 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2k02 h VAL 7 Cb 0.64 1.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 2k02 h VAL 7 CO 0.14 0.00 -0.35 -0.09 -1.01 0.00 0.00 177.57 176.26 2k02 h ARG 8 N 0.00 -0.71 -0.25 4.17 2.43 0.68 0.38 114.38 121.09 2k02 h ARG 8 Ca -0.00 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2k02 h ARG 8 Cb 0.00 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2k02 h ARG 8 CO 0.00 -0.47 0.10 -0.44 -1.51 0.00 0.00 179.97 177.65 2k02 h ASP 9 N -0.74 0.34 0.06 -3.80 5.19 -1.10 0.81 116.42 117.18 2k02 h ASP 9 Ca -0.02 -0.16 0.02 0.00 -0.62 0.00 0.00 57.03 56.25 2k02 h ASP 9 Cb 0.66 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.03 2k02 h ASP 9 CO -0.06 0.40 -0.47 0.24 -3.12 0.00 0.00 179.24 176.24 2k02 h MET 10 N 0.25 -0.64 -0.64 3.56 2.86 -1.28 -0.54 114.93 118.51 2k02 h MET 10 Ca 0.08 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2k02 h MET 10 Cb 0.17 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 2k02 h MET 10 CO -0.01 -0.42 0.29 -0.07 1.06 0.00 0.00 176.91 177.76 2k02 h LEU 11 N -0.66 0.83 -2.42 1.22 -0.00 -0.90 0.72 115.31 114.10 2k02 h LEU 11 Ca 0.02 -0.09 0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2k02 h LEU 11 Cb 0.70 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2k02 h LEU 11 CO -0.30 0.71 0.05 0.00 -0.00 0.00 0.00 178.44 178.90 2k02 h ALA 12 N 1.41 1.58 0.00 1.53 0.00 0.14 0.93 119.26 124.85 2k02 h ALA 12 Ca 0.22 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 2k02 h ALA 12 Cb 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2k02 h ALA 12 CO -0.03 -0.07 -2.02 1.28 0.00 0.00 0.00 179.25 178.42 2k02 n LEU 13 N -3.82 0.00 0.00 0.00 4.77 -0.30 -4.77 117.00 112.87 2k02 n LEU 13 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2k02 n LEU 13 Cb 0.14 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2k02 n LEU 13 CO 0.27 0.31 0.00 0.00 -1.33 0.00 0.00 177.39 176.64 2k02 n GLN 14 N -2.48 0.00 0.00 3.23 1.13 0.24 -5.09 117.38 114.42 2k02 n GLN 14 Ca -0.21 0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 2k02 n GLN 14 Cb 0.89 -0.78 0.00 0.00 0.11 0.00 0.00 30.24 30.46 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 2.07 1.01 3.45 1.08 0.00 0.27 -5.03 105.19 108.05 2k02 n GLY 15 Ca 0.00 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 3.05 0.29 1.61 3.00 -1.26 -3.97 118.95 121.67 2k02 s ARG 16 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 55.73 54.61 2k02 s ARG 16 Cb 0.00 -4.02 0.02 0.00 0.00 0.00 0.00 34.95 30.94 2k02 s ARG 16 CO 0.00 -0.93 0.65 -1.64 0.00 0.00 0.00 175.30 173.39 2k02 s MET 17 N 2.03 1.80 0.11 3.54 -1.94 -0.75 -5.02 119.30 119.06 2k02 s MET 17 Ca 0.10 -1.17 0.10 0.00 -1.71 0.00 0.00 55.69 53.01 2k02 s MET 17 Cb -0.19 0.57 -0.04 0.00 2.01 0.00 0.00 34.83 37.18 2k02 s MET 17 CO 0.11 -0.81 -0.25 -1.83 -0.01 0.00 0.00 175.02 172.23 2k02 s GLU 18 N -3.66 1.56 0.48 2.03 -1.05 -1.26 -0.78 118.70 116.03 2k02 s GLU 18 Ca 0.16 -1.26 0.29 0.00 -0.15 0.00 0.00 54.97 54.01 2k02 s GLU 18 Cb -0.04 -1.96 0.97 0.00 -0.44 0.00 0.00 34.13 32.66 2k02 s GLU 18 CO 0.09 0.47 1.83 0.00 0.95 0.00 0.00 175.26 178.60 2k02 h ALA 19 N 4.09 1.00 -0.24 -0.84 0.00 -1.92 -3.31 119.26 118.04 2k02 h ALA 19 Ca -0.50 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.45 2k02 h ALA 19 Cb 1.16 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2k02 h ALA 19 CO 0.41 0.00 -0.44 -0.22 0.00 0.00 0.00 179.25 179.00 2k02 h LYS 20 N 0.00 -0.36 -0.16 0.00 3.64 -1.91 0.58 116.57 118.36 2k02 h LYS 20 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2k02 h LYS 20 Cb 0.68 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2k02 h LYS 20 CO 0.00 -0.24 0.07 1.96 -2.27 0.00 0.00 179.45 178.97 2k02 h GLN 21 N -0.38 0.23 -1.00 1.90 4.20 -1.96 -2.14 115.11 115.97 2k02 h GLN 21 Ca 0.04 -0.04 0.20 0.00 0.06 0.00 0.00 58.65 58.91 2k02 h GLN 21 Cb 0.50 -0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.13 2k02 h GLN 21 CO -0.42 0.28 0.61 -0.07 -0.67 0.00 0.00 178.83 178.56 2k02 h LEU 22 N 0.13 0.78 -0.22 1.46 3.38 -1.52 0.49 115.31 119.80 2k02 h LEU 22 Ca 0.05 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2k02 h LEU 22 Cb 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2k02 h LEU 22 CO -0.01 0.26 -0.15 -1.28 0.09 0.00 0.00 178.44 177.35 2k02 h SER 23 N 0.75 0.51 -0.58 -0.43 0.87 0.46 -3.01 113.55 112.12 2k02 h SER 23 Ca 0.59 -0.44 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 2k02 h SER 23 Cb 0.93 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 2k02 h SER 23 CO -0.39 0.84 -0.01 0.00 -0.53 0.00 0.00 176.83 176.74 2k02 h ALA 24 N 0.69 0.78 -0.99 6.23 0.00 -0.51 1.19 119.26 126.66 2k02 h ALA 24 Ca 0.04 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2k02 h ALA 24 Cb 0.67 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 2k02 h ALA 24 CO 0.04 0.62 0.63 -0.09 0.00 0.00 0.00 179.25 180.45 2k02 h ARG 25 N 0.92 0.93 -0.01 0.00 9.65 -0.08 -1.82 114.38 123.97 2k02 h ARG 25 Ca 0.16 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2k02 h ARG 25 Cb 0.56 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 2k02 h ARG 25 CO 0.03 0.62 -0.43 1.28 2.80 0.00 0.00 179.97 184.27 2k02 n LEU 26 N -4.61 1.64 -2.12 3.80 7.99 -1.10 -5.07 117.00 117.53 2k02 n LEU 26 Ca 0.19 -0.73 -0.02 0.00 -0.01 0.00 0.00 56.01 55.43 2k02 n LEU 26 Cb 0.37 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.66 2k02 n LEU 26 CO 0.28 0.32 -0.42 0.00 -1.51 0.00 0.00 177.39 176.05 2k02 n GLN 27 N -0.24 -3.49 -3.63 3.23 6.02 0.41 -5.07 117.38 114.60 2k02 n GLN 27 Ca 0.07 2.72 -0.13 0.00 -0.01 0.00 0.00 57.00 59.65 2k02 n GLN 27 Cb 0.36 -3.70 -0.07 0.00 1.02 0.00 0.00 30.24 27.85 2k02 n GLN 27 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2k02 s THR 28 N -0.45 0.00 -0.50 5.09 2.01 -0.93 -4.96 115.64 115.91 2k02 s THR 28 Ca -0.11 0.00 -0.45 0.00 0.31 0.00 0.00 61.69 61.44 2k02 s THR 28 Cb 0.01 -1.00 -0.19 0.00 0.01 0.00 0.00 72.50 71.32 2k02 s THR 28 CO 0.29 0.00 1.86 -2.65 -0.69 0.00 0.00 174.62 173.43 2k02 n PRO 29 N 2.67 0.00 -0.14 4.92 -0.02 -1.26 -4.76 135.00 136.41 2k02 n PRO 29 Ca -0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.25 2k02 n PRO 29 Cb 0.55 -1.49 -0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2k02 n PRO 29 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2k02 h GLN 30 N 6.96 0.64 -1.14 -0.52 5.75 -1.94 -2.91 115.11 121.95 2k02 h GLN 30 Ca -0.27 -0.13 0.32 0.00 -0.15 0.00 0.00 58.65 58.43 2k02 h GLN 30 Cb 1.39 -0.10 -0.09 0.00 1.07 0.00 0.00 27.48 29.74 2k02 h GLN 30 CO 1.03 0.61 0.75 -1.35 -2.65 0.00 0.00 178.83 177.22 2k02 h PRO 31 N 0.54 0.24 0.08 -2.39 0.11 -1.76 0.19 132.00 129.01 2k02 h PRO 31 Ca 0.14 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.97 2k02 h PRO 31 Cb 0.22 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.30 2k02 h PRO 31 CO -0.01 0.16 -1.07 1.25 -0.21 0.00 0.00 178.00 178.12 2k02 h LEU 32 N 0.25 0.81 -0.78 2.35 7.12 -1.81 -3.30 115.31 119.94 2k02 h LEU 32 Ca 0.65 -0.81 0.18 0.00 0.13 0.00 0.00 57.88 58.03 2k02 h LEU 32 Cb 1.91 -0.25 -0.12 0.00 -0.53 0.00 0.00 40.66 41.67 2k02 h LEU 32 CO -0.28 1.52 0.17 0.40 -0.13 0.00 0.00 178.44 180.13 2k02 h ILE 33 N 0.19 0.43 -1.00 4.05 1.08 -0.50 0.41 117.51 122.17 2k02 h ILE 33 Ca -0.16 -0.08 0.15 0.00 -0.39 0.00 0.00 64.86 64.38 2k02 h ILE 33 Cb 1.76 0.18 -0.09 0.00 -3.07 0.00 0.00 36.82 35.60 2k02 h ILE 33 CO 0.21 0.04 0.62 -0.78 -0.69 0.00 0.00 178.15 177.55 2k02 h ASP 34 N 0.23 0.86 1.12 1.72 1.82 -1.30 0.24 116.42 121.12 2k02 h ASP 34 Ca 0.45 0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 57.05 2k02 h ASP 34 Cb 0.82 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 2k02 h ASP 34 CO -0.57 0.40 -0.50 0.00 -1.61 0.00 0.00 179.24 176.95 2k02 h ALA 35 N 1.59 0.79 0.60 -0.78 0.00 -0.43 -2.12 119.26 118.90 2k02 h ALA 35 Ca 0.53 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2k02 h ALA 35 Cb 0.67 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2k02 h ALA 35 CO -0.31 0.63 -0.29 1.98 0.00 0.00 0.00 179.25 181.26 2k02 h MET 36 N 0.00 -0.78 -0.08 0.00 1.85 0.16 0.85 114.93 116.92 2k02 h MET 36 Ca -0.01 0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.12 2k02 h MET 36 Cb 1.20 0.18 -0.00 0.00 0.43 0.00 0.00 31.60 33.41 2k02 h MET 36 CO 0.07 -0.50 -0.03 -0.07 -0.40 0.00 0.00 176.91 175.98 2k02 h LEU 37 N -0.88 0.17 -1.04 3.39 3.38 -1.47 -2.19 115.31 116.67 2k02 h LEU 37 Ca -0.08 -0.40 0.19 0.00 0.09 0.00 0.00 57.88 57.67 2k02 h LEU 37 Cb 0.65 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.25 2k02 h LEU 37 CO 0.14 0.53 0.61 -0.08 0.09 0.00 0.00 178.44 179.73 2k02 h GLU 38 N -0.20 0.74 -0.35 1.13 4.57 -1.39 0.38 114.58 119.46 2k02 h GLU 38 Ca 0.02 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 2k02 h GLU 38 Cb 0.46 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2k02 h GLU 38 CO 0.01 0.49 -0.12 -0.09 -1.18 0.00 0.00 179.01 178.12 2k02 h ARG 39 N 0.76 0.70 -0.69 1.92 2.43 -0.70 0.24 114.38 119.05 2k02 h ARG 39 Ca 0.57 -0.29 0.11 0.00 -0.81 0.00 0.00 59.98 59.57 2k02 h ARG 39 Cb 0.89 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.33 2k02 h ARG 39 CO -0.36 0.88 0.27 1.98 -1.51 0.00 0.00 179.97 181.23 2k02 h MET 40 N 0.49 0.43 0.00 0.20 4.05 -0.30 -0.43 114.93 119.38 2k02 h MET 40 Ca 0.08 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2k02 h MET 40 Cb 0.64 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2k02 h MET 40 CO 0.04 0.29 -0.55 1.49 0.23 0.00 0.00 176.91 178.41 2k02 h GLU 41 N 0.45 0.00 -0.64 0.39 4.81 -1.25 -3.29 114.58 115.04 2k02 h GLU 41 Ca 0.36 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.78 2k02 h GLU 41 Cb 0.48 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2k02 h GLU 41 CO -0.35 0.28 0.59 0.00 -0.73 0.00 0.00 179.01 178.81 2k02 h ALA 42 N 1.68 2.45 0.00 2.92 0.00 0.13 0.71 119.26 127.15 2k02 h ALA 42 Ca -0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2k02 h ALA 42 Cb 1.27 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2k02 h ALA 42 CO 0.04 -0.92 -1.25 0.52 0.00 0.00 0.00 179.25 177.64 2k02 h MET 43 N 0.00 0.00 0.00 0.00 2.86 -1.61 -3.49 114.93 112.69 2k02 h MET 43 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2k02 h MET 43 Cb 1.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.14 2k02 h MET 43 CO -0.00 0.24 0.00 0.41 1.06 0.00 0.00 176.91 178.62 2k02 n GLY 44 N 1.34 0.78 0.00 8.32 0.00 0.25 -5.12 105.19 110.76 2k02 n GLY 44 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2k02 n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k02 n LYS 45 N 0.00 0.00 0.00 1.61 4.76 -1.26 -5.04 118.16 118.23 2k02 n LYS 45 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2k02 n LYS 45 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2k02 n LYS 45 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2k02 n VAL 46 N -0.53 0.00 -3.86 -0.18 0.24 -1.26 -4.84 118.33 107.89 2k02 n VAL 46 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 2k02 n VAL 46 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 2k02 n VAL 46 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2k02 s VAL 47 N 1.90 4.64 -0.07 3.34 -7.23 -0.78 -4.90 120.40 117.29 2k02 s VAL 47 Ca 0.00 -0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.11 2k02 s VAL 47 Cb 0.00 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 2k02 s VAL 47 CO 0.00 0.38 -0.10 -0.60 -0.31 0.00 0.00 175.10 174.47 2k02 s ARG 48 N 1.07 2.77 -0.23 4.82 3.00 -1.26 -2.08 118.95 127.04 2k02 s ARG 48 Ca 0.05 -0.61 0.02 0.00 -1.00 0.00 0.00 55.73 54.18 2k02 s ARG 48 Cb -0.14 -2.54 0.05 0.00 0.00 0.00 0.00 34.95 32.32 2k02 s ARG 48 CO 0.03 0.59 -0.10 0.42 0.00 0.00 0.00 175.30 176.24 2k02 s ILE 49 N -0.62 1.83 -0.29 4.11 -1.09 0.03 -4.88 121.20 120.29 2k02 s ILE 49 Ca 0.09 -1.29 -0.29 0.00 -2.23 0.00 0.00 60.65 56.93 2k02 s ILE 49 Cb -0.11 -1.95 -0.00 0.00 -1.58 0.00 0.00 42.46 38.81 2k02 s ILE 49 CO 0.02 0.05 1.36 -0.94 -1.23 0.00 0.00 174.94 174.19 2k02 s SER 50 N 1.28 6.60 0.07 3.58 1.04 -1.26 0.13 113.70 125.14 2k02 s SER 50 Ca -0.05 1.25 0.09 0.00 0.48 0.00 0.00 55.95 57.72 2k02 s SER 50 Cb -0.18 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.37 2k02 s SER 50 CO -0.07 -1.13 -0.24 -0.70 0.98 0.00 0.00 173.24 172.08 2k02 s GLU 51 N 4.30 1.78 -0.11 4.02 2.12 0.25 -4.94 118.70 126.13 2k02 s GLU 51 Ca 0.59 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.79 2k02 s GLU 51 Cb -0.18 -2.02 -0.02 0.00 0.26 0.00 0.00 34.13 32.17 2k02 s GLU 51 CO 0.25 0.50 -0.12 -0.08 -0.54 0.00 0.00 175.26 175.27 2k02 s THR 52 N -0.91 3.20 -0.18 -1.70 -1.32 -1.26 -1.97 115.64 111.50 2k02 s THR 52 Ca 0.13 -0.63 -0.13 0.00 -1.21 0.00 0.00 61.69 59.85 2k02 s THR 52 Cb -0.10 -2.33 0.05 0.00 -1.51 0.00 0.00 72.50 68.61 2k02 s THR 52 CO 0.04 0.54 0.46 -0.55 -2.21 0.00 0.00 174.62 172.90 2k02 s SER 53 N 0.03 -0.53 -0.04 8.08 0.15 -1.26 -5.05 113.70 115.09 2k02 s SER 53 Ca -0.04 0.96 -0.02 0.00 0.70 0.00 0.00 55.95 57.54 2k02 s SER 53 Cb -0.14 0.91 -0.01 0.00 -1.71 0.00 0.00 66.02 65.06 2k02 s SER 53 CO 0.04 -0.18 0.15 -0.33 1.20 0.00 0.00 173.24 174.13 2k02 h GLU 54 N 6.16 -0.08 0.00 5.44 5.08 -1.94 -3.45 114.58 125.79 2k02 h GLU 54 Ca -0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2k02 h GLU 54 Cb 1.18 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k02 h GLU 54 CO 0.24 -0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.61 2k02 n GLY 55 N 1.50 3.98 0.06 -3.84 0.00 -1.26 -4.96 105.19 100.67 2k02 n GLY 55 Ca -0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 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 -8.43 4.20 0.11 0.00 2.96 -1.26 -4.88 118.68 111.38 2k02 s LEU 57 Ca -0.06 2.02 0.12 0.00 -0.22 0.00 0.00 54.13 55.99 2k02 s LEU 57 Cb 0.00 -3.53 -0.14 0.00 0.50 0.00 0.00 46.19 43.02 2k02 s LEU 57 CO 0.14 -0.99 1.12 0.77 -1.32 0.00 0.00 176.35 176.07 2k02 h SER 58 N 9.70 0.00 -2.38 3.68 4.64 -2.03 -3.37 113.55 123.79 2k02 h SER 58 Ca -0.36 0.00 -0.81 0.00 -0.47 0.00 0.00 61.79 60.15 2k02 h SER 58 Cb 1.16 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.98 2k02 h SER 58 CO 0.97 0.82 1.01 0.61 -0.87 0.00 0.00 176.83 179.36 2k02 n GLY 59 N 1.37 5.93 3.15 -0.77 0.00 -1.26 -5.03 105.19 108.58 2k02 n GLY 59 Ca -0.05 -2.59 -0.26 0.00 0.00 0.00 0.00 46.02 43.12 2k02 n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k02 n SER 60 N 0.26 -2.77 -3.77 1.61 3.41 -1.26 -5.05 113.62 106.06 2k02 n SER 60 Ca 0.43 -0.28 -0.10 0.00 -0.26 0.00 0.00 58.87 58.66 2k02 n SER 60 Cb 0.28 -0.86 -0.05 0.00 -0.26 0.00 0.00 64.21 63.32 2k02 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k02 h LYS 62 N 2.32 0.00 -5.72 0.00 2.10 -2.04 -3.43 116.57 109.79 2k02 h LYS 62 Ca -0.30 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.73 2k02 h LYS 62 Cb 1.25 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.45 2k02 h LYS 62 CO 0.42 0.58 0.53 -1.12 -2.00 0.00 0.00 179.45 177.86 2k02 s SER 63 N -6.20 6.30 0.02 7.07 0.01 -1.26 -5.03 113.70 114.60 2k02 s SER 63 Ca -0.03 -0.52 -0.18 0.00 1.31 0.00 0.00 55.95 56.53 2k02 s SER 63 Cb 0.08 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.83 2k02 s SER 63 CO 0.82 -1.25 0.53 0.00 0.41 0.00 0.00 173.24 173.74 2k02 h PRO 65 N 5.06 0.00 0.00 0.00 0.13 -2.00 -3.44 132.00 131.75 2k02 h PRO 65 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k02 h PRO 65 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k02 h PRO 65 CO 0.66 0.27 0.00 -1.91 -0.23 0.00 0.00 178.00 176.79 2k02 n GLU 66 N -3.22 0.00 0.00 0.86 2.13 -1.26 -5.11 120.64 114.04 2k02 n GLU 66 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2k02 n GLU 66 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 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 0.87 0.82 3.08 8.31 0.00 -1.26 -5.12 105.19 111.88 2k02 n GLY 67 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 1.92 0.38 1.61 2.20 -1.26 -4.83 119.74 119.77 2k02 s LYS 68 Ca 0.00 -1.65 0.00 0.00 -0.36 0.00 0.00 55.97 53.96 2k02 s LYS 68 Cb 0.00 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 2k02 s LYS 68 CO 0.00 -0.84 0.00 0.00 -0.36 0.00 0.00 175.35 174.15 2k02 n ALA 69 N 4.43 0.34 -1.40 3.13 0.00 -1.26 -5.02 120.51 120.74 2k02 n ALA 69 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 2k02 n ALA 69 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 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 -3.30 -0.21 -2.72 0.00 0.00 -1.26 -4.97 120.51 108.04 2k02 n ALA 70 Ca 0.00 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.30 2k02 n ALA 70 Cb 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 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 0.30 0.26 -0.10 0.00 1.70 -1.26 -4.57 118.95 115.27 2k02 s ARG 72 Ca 0.16 0.73 -0.04 0.00 -0.47 0.00 0.00 55.73 56.11 2k02 s ARG 72 Cb -0.13 -0.00 0.05 0.00 -0.57 0.00 0.00 34.95 34.30 2k02 s ARG 72 CO 0.04 -0.21 0.22 1.14 -1.08 0.00 0.00 175.30 175.41 2k02 s GLN 73 N 1.80 0.15 0.70 3.89 0.00 -0.83 -2.76 119.66 122.62 2k02 s GLN 73 Ca -0.06 0.55 0.02 0.00 -0.00 0.00 0.00 55.36 55.88 2k02 s GLN 73 Cb -0.11 -0.13 0.14 0.00 0.00 0.00 0.00 33.01 32.91 2k02 s GLN 73 CO -0.10 -0.21 0.96 0.39 0.00 0.00 0.00 175.29 176.33 2k02 n GLU 74 N 4.59 0.01 -4.34 9.60 -0.58 -1.26 -0.58 120.64 128.09 2k02 n GLU 74 Ca -0.19 -2.78 -0.28 0.00 -0.42 0.00 0.00 57.16 53.49 2k02 n GLU 74 Cb 0.52 -0.59 -0.17 0.00 -0.57 0.00 0.00 31.44 30.63 2k02 n GLU 74 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2k02 s TRP 75 N -3.00 1.85 -0.28 -0.32 -0.11 0.35 -3.22 118.94 114.23 2k02 s TRP 75 Ca 0.65 -0.88 -0.11 0.00 1.22 0.00 0.00 56.10 56.98 2k02 s TRP 75 Cb -0.04 -1.37 -0.05 0.00 -1.50 0.00 0.00 33.47 30.52 2k02 s TRP 75 CO 0.43 -0.48 0.18 -0.46 -4.62 0.00 0.00 176.95 172.00 2k02 s TRP 76 N 1.11 3.21 -0.03 5.86 -0.00 0.04 -0.79 118.94 128.34 2k02 s TRP 76 Ca -0.05 0.08 -0.01 0.00 -0.00 0.00 0.00 56.10 56.13 2k02 s TRP 76 Cb -0.14 -2.37 0.03 0.00 -0.00 0.00 0.00 33.47 30.99 2k02 s TRP 76 CO -0.03 -0.17 0.06 0.00 -0.00 0.00 0.00 176.95 176.81 2k02 s ALA 77 N 1.73 0.03 0.44 5.86 0.00 -0.89 -1.81 121.76 127.12 2k02 s ALA 77 Ca 0.07 0.37 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 2k02 s ALA 77 Cb -0.16 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.54 2k02 s ALA 77 CO 0.10 -0.17 1.40 -0.51 0.00 0.00 0.00 175.76 176.58 2k02 s LEU 78 N 1.24 4.13 0.00 0.00 1.02 -1.25 -1.87 118.68 121.95 2k02 s LEU 78 Ca -0.07 2.86 0.00 0.00 0.02 0.00 0.00 54.13 56.94 2k02 s LEU 78 Cb -0.13 -3.93 0.00 0.00 0.02 0.00 0.00 46.19 42.15 2k02 s LEU 78 CO -0.04 -1.11 0.40 -1.14 0.02 0.00 0.00 176.35 174.48