#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 0.34 3.04 0.00 -1.26 -5.05 121.76 122.19 2k02 s ALA 2 Ca 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 51.96 49.97 2k02 s ALA 2 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2k02 s ALA 2 CO 0.00 -2.28 0.61 -1.12 0.00 0.00 0.00 175.76 172.97 2k02 s SER 3 N 3.25 6.39 0.52 0.00 0.01 -1.26 -4.98 113.70 117.63 2k02 s SER 3 Ca 0.15 0.73 0.31 0.00 1.31 0.00 0.00 55.95 58.45 2k02 s SER 3 Cb -0.21 -2.15 1.29 0.00 0.21 0.00 0.00 66.02 65.16 2k02 s SER 3 CO 0.10 -0.30 1.96 0.17 0.41 0.00 0.00 173.24 175.58 2k02 h LEU 4 N 1.21 0.00 -1.44 2.44 8.10 -1.97 -3.02 115.31 120.63 2k02 h LEU 4 Ca -0.48 0.00 0.14 0.00 0.11 0.00 0.00 57.88 57.65 2k02 h LEU 4 Cb 1.20 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.36 2k02 h LEU 4 CO 0.64 0.07 0.54 0.00 -4.11 0.00 0.00 178.44 175.57 2k02 h MET 5 N 0.00 0.54 0.52 0.17 -0.00 -1.94 0.62 114.93 114.84 2k02 h MET 5 Ca -0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.70 59.64 2k02 h MET 5 Cb 0.54 -0.12 0.01 0.00 -0.00 0.00 0.00 31.60 32.03 2k02 h MET 5 CO 0.01 0.35 -0.25 1.49 -0.00 0.00 0.00 176.91 178.51 2k02 h GLU 6 N 0.55 -0.67 0.00 -0.10 4.57 -1.95 -2.41 114.58 114.57 2k02 h GLU 6 Ca 0.40 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.61 2k02 h GLU 6 Cb 0.77 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2k02 h GLU 6 CO -0.16 -0.45 -0.08 -0.24 -1.18 0.00 0.00 179.01 176.91 2k02 h VAL 7 N -0.73 0.96 0.38 0.32 3.04 -1.67 -2.49 116.25 116.06 2k02 h VAL 7 Ca -0.07 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.34 2k02 h VAL 7 Cb 0.54 1.15 -0.03 0.00 -2.01 0.00 0.00 31.29 30.94 2k02 h VAL 7 CO 0.12 0.07 -0.49 -0.09 -1.01 0.00 0.00 177.57 176.17 2k02 h ARG 8 N 0.00 -0.87 -0.36 4.17 2.43 0.43 -1.28 114.38 118.90 2k02 h ARG 8 Ca -0.00 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2k02 h ARG 8 Cb 0.14 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2k02 h ARG 8 CO 0.01 -0.58 0.14 0.22 -1.51 0.00 0.00 179.97 178.25 2k02 h ASP 9 N -0.90 0.50 -0.40 -3.80 3.58 -1.25 0.14 116.42 114.29 2k02 h ASP 9 Ca -0.05 -0.17 0.07 0.00 0.42 0.00 0.00 57.03 57.30 2k02 h ASP 9 Cb 0.81 -0.13 -0.09 0.00 1.72 0.00 0.00 39.33 41.64 2k02 h ASP 9 CO -0.12 0.53 -0.43 0.24 -2.88 0.00 0.00 179.24 176.58 2k02 h MET 10 N 0.44 -0.32 0.00 0.28 2.86 -1.28 0.36 114.93 117.26 2k02 h MET 10 Ca 0.12 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 2k02 h MET 10 Cb 0.19 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2k02 h MET 10 CO -0.01 -0.21 -0.38 -0.07 1.06 0.00 0.00 176.91 177.30 2k02 h LEU 11 N -0.33 0.00 -1.03 1.22 4.07 -1.20 -3.16 115.31 114.87 2k02 h LEU 11 Ca 0.13 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.22 2k02 h LEU 11 Cb 0.58 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.24 2k02 h LEU 11 CO -0.57 0.38 0.63 0.00 -1.08 0.00 0.00 178.44 177.80 2k02 h ALA 12 N 1.62 1.56 -0.55 1.53 0.00 0.14 -0.23 119.26 123.34 2k02 h ALA 12 Ca -0.00 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 2k02 h ALA 12 Cb 1.02 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.47 2k02 h ALA 12 CO 0.05 0.18 0.16 1.28 0.00 0.00 0.00 179.25 180.92 2k02 n LEU 13 N -4.62 5.00 0.01 0.00 4.32 -0.80 -4.68 117.00 116.23 2k02 n LEU 13 Ca 0.19 -3.55 0.00 0.00 -0.02 0.00 0.00 56.01 52.64 2k02 n LEU 13 Cb 0.38 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 2k02 n LEU 13 CO 0.27 1.06 0.00 1.67 -1.22 0.00 0.00 177.39 179.17 2k02 n GLN 14 N -0.90 0.00 0.00 3.23 -0.06 -0.23 -5.08 117.38 114.35 2k02 n GLN 14 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.39 2k02 n GLN 14 Cb 1.22 -0.04 0.00 0.00 -4.06 0.00 0.00 30.24 27.36 2k02 n GLN 14 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k02 n GLY 15 N 2.71 0.63 3.68 1.69 0.00 -0.42 -5.07 105.19 108.42 2k02 n GLY 15 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 4.30 0.12 1.61 3.00 -1.26 -4.49 118.95 122.22 2k02 s ARG 16 Ca 0.00 1.70 -0.25 0.00 0.00 0.00 0.00 55.73 57.18 2k02 s ARG 16 Cb 0.00 -3.65 0.08 0.00 0.00 0.00 0.00 34.95 31.39 2k02 s ARG 16 CO 0.00 -0.56 1.09 -1.64 0.00 0.00 0.00 175.30 174.19 2k02 s MET 17 N 2.75 1.02 -0.01 3.54 -1.94 -0.93 -5.04 119.30 118.68 2k02 s MET 17 Ca 0.56 -0.62 -0.02 0.00 -1.71 0.00 0.00 55.69 53.90 2k02 s MET 17 Cb -0.24 0.30 0.00 0.00 2.01 0.00 0.00 34.83 36.91 2k02 s MET 17 CO 0.20 -0.47 0.05 -1.83 -0.01 0.00 0.00 175.02 172.95 2k02 s GLU 18 N -2.44 0.12 0.62 2.03 -1.05 -1.26 -1.56 118.70 115.14 2k02 s GLU 18 Ca 0.19 -0.03 0.40 0.00 -0.15 0.00 0.00 54.97 55.38 2k02 s GLU 18 Cb -0.01 0.05 1.99 0.00 -0.44 0.00 0.00 34.13 35.72 2k02 s GLU 18 CO 0.02 -0.02 2.22 0.00 0.95 0.00 0.00 175.26 178.43 2k02 h ALA 19 N 5.80 1.02 -0.51 -0.84 0.00 -1.95 -3.05 119.26 119.72 2k02 h ALA 19 Ca -0.26 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.75 2k02 h ALA 19 Cb 1.21 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 2k02 h ALA 19 CO 0.46 0.01 -0.21 -0.22 0.00 0.00 0.00 179.25 179.29 2k02 h LYS 20 N 0.00 -0.09 0.24 0.00 3.64 -1.96 0.98 116.57 119.37 2k02 h LYS 20 Ca -0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2k02 h LYS 20 Cb 0.21 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2k02 h LYS 20 CO 0.00 -0.06 -0.34 1.96 -2.27 0.00 0.00 179.45 178.74 2k02 h GLN 21 N -0.10 -0.61 0.00 1.90 1.08 -1.95 -1.46 115.11 113.97 2k02 h GLN 21 Ca 0.24 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.46 2k02 h GLN 21 Cb 0.47 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2k02 h GLN 21 CO -0.58 -0.41 -0.12 -0.07 -0.95 0.00 0.00 178.83 176.71 2k02 h LEU 22 N -0.64 0.00 -0.08 1.46 3.38 -1.52 -1.29 115.31 116.62 2k02 h LEU 22 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k02 h LEU 22 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2k02 h LEU 22 CO -0.13 0.12 0.04 -1.28 0.09 0.00 0.00 178.44 177.28 2k02 h SER 23 N 0.00 0.10 0.46 -0.43 0.87 0.20 0.84 113.55 115.59 2k02 h SER 23 Ca -0.00 -0.10 -0.22 0.00 -1.23 0.00 0.00 61.79 60.23 2k02 h SER 23 Cb 0.27 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2k02 h SER 23 CO 0.02 0.17 -0.96 0.00 -0.53 0.00 0.00 176.83 175.53 2k02 h ALA 24 N 0.93 0.38 0.00 6.23 0.00 -1.14 0.60 119.26 126.26 2k02 h ALA 24 Ca 0.03 -0.74 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 2k02 h ALA 24 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k02 h ALA 24 CO -0.00 0.87 -0.27 -0.09 0.00 0.00 0.00 179.25 179.76 2k02 h ARG 25 N 0.17 0.00 -0.01 0.00 2.43 -1.14 -3.01 114.38 112.82 2k02 h ARG 25 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2k02 h ARG 25 Cb 1.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 2k02 h ARG 25 CO 0.16 0.27 0.00 1.28 -1.51 0.00 0.00 179.97 180.17 2k02 n LEU 26 N -3.72 2.08 -2.42 3.80 4.77 0.28 -5.06 117.00 116.73 2k02 n LEU 26 Ca -0.01 -2.18 -0.01 0.00 -0.03 0.00 0.00 56.01 53.77 2k02 n LEU 26 Cb 0.38 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2k02 n LEU 26 CO 0.35 0.54 -0.47 0.00 -1.33 0.00 0.00 177.39 176.47 2k02 n GLN 27 N -0.64 -4.43 -3.63 3.23 1.13 0.18 -4.99 117.38 108.23 2k02 n GLN 27 Ca 0.03 3.25 -0.11 0.00 -1.94 0.00 0.00 57.00 58.23 2k02 n GLN 27 Cb 0.32 -4.27 -0.07 0.00 0.11 0.00 0.00 30.24 26.33 2k02 n GLN 27 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2k02 s THR 28 N -0.54 0.00 0.37 5.09 2.01 0.50 -4.93 115.64 118.15 2k02 s THR 28 Ca -0.07 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.68 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 0.20 0.00 0.86 -0.81 -0.69 0.00 0.00 174.62 174.18 2k02 n PRO 29 N 2.84 1.07 0.02 4.92 -0.04 -1.26 -4.68 135.00 137.86 2k02 n PRO 29 Ca -0.15 0.38 -0.18 0.00 -0.04 0.00 0.00 63.50 63.51 2k02 n PRO 29 Cb 0.56 -1.79 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 2k02 n PRO 29 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2k02 h GLN 30 N 1.43 0.38 -0.66 0.54 4.20 -1.95 -3.25 115.11 115.80 2k02 h GLN 30 Ca -0.41 -0.47 0.10 0.00 0.06 0.00 0.00 58.65 57.92 2k02 h GLN 30 Cb 1.36 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 29.25 2k02 h GLN 30 CO 0.56 1.15 0.44 -1.35 -0.67 0.00 0.00 178.83 178.96 2k02 h PRO 31 N -0.17 0.50 -0.42 1.46 0.11 -1.82 -0.94 132.00 130.71 2k02 h PRO 31 Ca -0.10 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.87 2k02 h PRO 31 Cb 1.42 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 2k02 h PRO 31 CO 0.13 0.33 -0.18 1.25 -0.21 0.00 0.00 178.00 179.32 2k02 h LEU 32 N 0.51 0.82 -0.37 2.35 7.12 -1.82 -3.21 115.31 120.71 2k02 h LEU 32 Ca 0.30 -0.28 0.08 0.00 0.13 0.00 0.00 57.88 58.11 2k02 h LEU 32 Cb 0.50 -0.22 -0.09 0.00 -0.53 0.00 0.00 40.66 40.32 2k02 h LEU 32 CO -0.10 0.99 -0.33 0.40 -0.13 0.00 0.00 178.44 179.27 2k02 h ILE 33 N 0.71 0.23 -1.00 4.05 1.08 -1.20 0.47 117.51 121.86 2k02 h ILE 33 Ca 0.11 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.81 2k02 h ILE 33 Cb 0.70 0.23 -0.12 0.00 -3.07 0.00 0.00 36.82 34.55 2k02 h ILE 33 CO 0.05 0.00 0.60 -0.78 -0.69 0.00 0.00 178.15 177.33 2k02 h ASP 34 N -0.27 0.70 1.34 1.72 1.82 -1.59 0.68 116.42 120.83 2k02 h ASP 34 Ca 0.16 0.13 -0.10 0.00 -0.39 0.00 0.00 57.03 56.83 2k02 h ASP 34 Cb 0.54 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 2k02 h ASP 34 CO -0.52 0.14 -0.47 0.00 -1.61 0.00 0.00 179.24 176.78 2k02 h ALA 35 N 1.71 0.74 0.36 -0.78 0.00 -0.96 -1.65 119.26 118.68 2k02 h ALA 35 Ca 0.63 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2k02 h ALA 35 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2k02 h ALA 35 CO -0.46 0.59 -0.17 1.98 0.00 0.00 0.00 179.25 181.20 2k02 h MET 36 N 0.00 -0.46 -0.04 0.00 1.85 0.49 0.95 114.93 117.72 2k02 h MET 36 Ca -0.00 0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 59.05 2k02 h MET 36 Cb 1.27 0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.41 2k02 h MET 36 CO 0.06 -0.18 -0.25 -0.07 -0.40 0.00 0.00 176.91 176.07 2k02 h LEU 37 N -0.72 0.29 -1.00 3.39 -0.00 -1.38 -2.50 115.31 113.39 2k02 h LEU 37 Ca -0.05 -0.68 0.12 0.00 -0.00 0.00 0.00 57.88 57.28 2k02 h LEU 37 Cb 0.50 -0.09 -0.09 0.00 -0.00 0.00 0.00 40.66 40.98 2k02 h LEU 37 CO 0.08 0.92 0.63 -0.08 -0.00 0.00 0.00 178.44 179.99 2k02 h GLU 38 N -0.32 0.95 0.27 1.13 4.57 -1.37 0.23 114.58 120.04 2k02 h GLU 38 Ca -0.02 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2k02 h GLU 38 Cb 0.92 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2k02 h GLU 38 CO 0.05 0.63 -0.13 -0.09 -1.18 0.00 0.00 179.01 178.29 2k02 h ARG 39 N 0.97 -0.35 -0.98 1.92 9.65 -0.81 1.28 114.38 126.06 2k02 h ARG 39 Ca 0.50 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.48 2k02 h ARG 39 Cb 0.51 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 29.11 2k02 h ARG 39 CO -0.27 -0.06 0.63 1.98 2.80 0.00 0.00 179.97 185.04 2k02 h MET 40 N -0.64 1.05 0.00 0.20 4.05 -0.95 -0.44 114.93 118.21 2k02 h MET 40 Ca -0.04 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 2k02 h MET 40 Cb 0.45 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 2k02 h MET 40 CO 0.06 0.70 -0.34 1.49 0.23 0.00 0.00 176.91 179.04 2k02 h GLU 41 N 1.08 0.00 -0.98 0.39 4.22 -0.46 -3.31 114.58 115.52 2k02 h GLU 41 Ca 0.44 0.00 0.26 0.00 0.08 0.00 0.00 59.36 60.13 2k02 h GLU 41 Cb 0.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2k02 h GLU 41 CO -0.19 0.13 0.67 0.00 -2.18 0.00 0.00 179.01 177.44 2k02 h ALA 42 N 1.85 2.50 0.00 2.92 0.00 0.34 0.93 119.26 127.81 2k02 h ALA 42 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2k02 h ALA 42 Cb 1.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k02 h ALA 42 CO 0.02 -0.82 -0.44 0.00 0.00 0.00 0.00 179.25 178.00 2k02 h MET 43 N 0.25 0.00 0.00 0.00 -0.00 -1.64 -3.47 114.93 110.06 2k02 h MET 43 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.21 2k02 h MET 43 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.16 2k02 h MET 43 CO -0.15 0.44 0.00 0.41 -0.00 0.00 0.00 176.91 177.61 2k02 n GLY 44 N 0.35 0.62 0.00 -3.00 0.00 0.32 -5.11 105.19 98.36 2k02 n GLY 44 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.16 -5.06 118.16 118.31 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 -0.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 2k02 n LYS 45 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k02 n VAL 46 N -0.37 0.00 -3.86 -0.18 0.31 -1.26 -4.99 118.33 107.98 2k02 n VAL 46 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2k02 n VAL 46 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 0.00 0.12 0.13 2.52 0.11 -0.83 -5.04 120.40 117.41 2k02 s VAL 47 Ca 0.00 -0.98 -0.12 0.00 -2.93 0.00 0.00 61.98 57.96 2k02 s VAL 47 Cb 0.00 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 2k02 s VAL 47 CO 0.00 -0.54 0.31 0.00 -3.33 0.00 0.00 175.10 171.54 2k02 s ARG 48 N -2.80 1.06 -0.09 1.54 1.04 -1.26 -1.38 118.95 117.06 2k02 s ARG 48 Ca -0.03 -0.95 -0.03 0.00 -1.04 0.00 0.00 55.73 53.68 2k02 s ARG 48 Cb 0.00 0.41 0.04 0.00 -2.04 0.00 0.00 34.95 33.36 2k02 s ARG 48 CO -0.05 -0.39 0.09 0.42 -0.04 0.00 0.00 175.30 175.33 2k02 s ILE 49 N -3.88 -0.14 -0.30 4.99 1.01 0.95 -4.91 121.20 118.92 2k02 s ILE 49 Ca 0.09 0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 2k02 s ILE 49 Cb 0.03 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 2k02 s ILE 49 CO -0.07 0.03 0.39 -0.94 0.00 0.00 0.00 174.94 174.35 2k02 s SER 50 N 2.19 6.23 0.07 3.58 1.04 -1.26 0.16 113.70 125.72 2k02 s SER 50 Ca 0.04 0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.61 2k02 s SER 50 Cb -0.13 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 2k02 s SER 50 CO -0.06 -0.27 -0.14 -0.70 0.98 0.00 0.00 173.24 173.05 2k02 s GLU 51 N 2.09 2.09 0.76 4.02 2.12 -0.02 -4.93 118.70 124.83 2k02 s GLU 51 Ca 0.14 -1.00 -0.10 0.00 0.36 0.00 0.00 54.97 54.37 2k02 s GLU 51 Cb -0.16 -2.25 0.06 0.00 0.26 0.00 0.00 34.13 32.04 2k02 s GLU 51 CO 0.11 0.52 1.11 -0.08 -0.54 0.00 0.00 175.26 176.38 2k02 s THR 52 N -1.08 2.30 1.04 -1.70 -1.32 -1.26 -2.23 115.64 111.38 2k02 s THR 52 Ca 0.18 -0.04 -0.19 0.00 -1.21 0.00 0.00 61.69 60.43 2k02 s THR 52 Cb -0.11 -3.06 -0.00 0.00 -1.51 0.00 0.00 72.50 67.81 2k02 s THR 52 CO 0.09 -0.08 -0.30 -1.20 -2.21 0.00 0.00 174.62 170.92 2k02 n SER 53 N -3.13 -2.92 -1.16 8.08 7.64 -1.26 -4.75 113.62 116.12 2k02 n SER 53 Ca 0.08 0.06 0.05 0.00 1.01 0.00 0.00 58.87 60.06 2k02 n SER 53 Cb 0.60 -0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 2k02 n SER 53 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k02 n GLU 54 N -0.49 -2.93 -5.06 1.43 2.13 -1.26 -4.98 120.64 109.48 2k02 n GLU 54 Ca 0.01 2.31 -0.28 0.00 0.66 0.00 0.00 57.16 59.87 2k02 n GLU 54 Cb 0.62 -3.02 -0.16 0.00 0.27 0.00 0.00 31.44 29.16 2k02 n GLU 54 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k02 s GLY 55 N -5.38 1.08 0.24 8.31 0.00 -1.26 -5.07 107.32 105.24 2k02 s GLY 55 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2k02 s GLY 55 CO 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 173.10 172.29 2k02 n LEU 57 N 0.00 -5.49 -1.95 0.00 4.32 -1.26 -4.89 117.00 107.73 2k02 n LEU 57 Ca 0.01 2.31 -0.11 0.00 -0.02 0.00 0.00 56.01 58.19 2k02 n LEU 57 Cb 0.47 -2.73 0.25 0.00 -1.62 0.00 0.00 43.42 39.79 2k02 n LEU 57 CO 0.01 -2.03 1.08 -1.54 -1.22 0.00 0.00 177.39 173.69 2k02 n SER 58 N 1.44 4.18 0.02 -1.43 3.41 -1.26 -4.46 113.62 115.52 2k02 n SER 58 Ca 0.00 -3.41 0.12 0.00 -0.26 0.00 0.00 58.87 55.33 2k02 n SER 58 Cb 0.00 -0.76 0.52 0.00 -0.26 0.00 0.00 64.21 63.72 2k02 n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k02 n GLY 59 N -0.62 -1.42 3.45 5.00 0.00 -1.26 -4.65 105.19 105.69 2k02 n GLY 59 Ca 0.46 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 2k02 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k02 s SER 60 N -3.26 5.77 0.87 1.61 1.04 -1.26 -5.09 113.70 113.38 2k02 s SER 60 Ca 0.12 -0.66 -0.13 0.00 0.48 0.00 0.00 55.95 55.76 2k02 s SER 60 Cb 0.16 -2.05 0.14 0.00 0.10 0.00 0.00 66.02 64.37 2k02 s SER 60 CO 0.48 -0.28 1.23 0.00 0.98 0.00 0.00 173.24 175.66 2k02 s LYS 62 N -5.69 3.16 -0.30 0.00 2.47 -1.26 -4.94 119.74 113.18 2k02 s LYS 62 Ca 0.68 -0.71 -0.06 0.00 -1.56 0.00 0.00 55.97 54.32 2k02 s LYS 62 Cb -0.07 -4.18 0.18 0.00 -1.46 0.00 0.00 37.83 32.31 2k02 s LYS 62 CO 0.50 -1.69 0.80 -1.12 0.16 0.00 0.00 175.35 174.01 2k02 s SER 63 N 3.41 -0.97 0.08 1.43 0.01 -1.26 -5.17 113.70 111.23 2k02 s SER 63 Ca 0.23 0.60 0.07 0.00 1.31 0.00 0.00 55.95 58.16 2k02 s SER 63 Cb -0.16 1.81 -0.03 0.00 0.21 0.00 0.00 66.02 67.85 2k02 s SER 63 CO 0.12 -0.18 -0.18 0.00 0.41 0.00 0.00 173.24 173.41 2k02 h PRO 65 N 4.35 0.32 0.00 0.00 0.13 -2.02 -3.48 132.00 131.30 2k02 h PRO 65 Ca -0.43 -0.13 -0.05 0.00 -0.87 0.00 0.00 66.00 64.52 2k02 h PRO 65 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k02 h PRO 65 CO 0.41 0.62 0.18 -0.85 -0.23 0.00 0.00 178.00 178.12 2k02 n GLU 66 N -4.66 0.85 -2.32 0.86 0.28 -1.26 -5.06 120.64 109.33 2k02 n GLU 66 Ca -0.05 -1.81 -0.41 0.00 -0.16 0.00 0.00 57.16 54.73 2k02 n GLU 66 Cb 0.28 2.18 0.01 0.00 1.43 0.00 0.00 31.44 35.34 2k02 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k02 n GLY 67 N -0.43 5.49 3.90 -1.84 0.00 -1.26 -4.98 105.19 106.07 2k02 n GLY 67 Ca -0.06 -2.28 -0.33 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 -2.20 3.56 0.00 1.61 2.20 -1.26 -4.62 119.74 119.03 2k02 s LYS 68 Ca 0.46 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2k02 s LYS 68 Cb 0.17 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 2k02 s LYS 68 CO -0.08 0.59 0.00 0.00 -0.36 0.00 0.00 175.35 175.50 2k02 n ALA 69 N 0.65 0.00 -1.16 3.13 0.00 -1.26 -4.81 120.51 117.06 2k02 n ALA 69 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k02 n ALA 69 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 -2.32 -3.40 0.00 0.00 -1.26 -5.04 120.51 108.50 2k02 n ALA 70 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.76 2k02 n ALA 70 Cb 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 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 2.63 1.02 -0.12 0.00 1.70 -1.26 -4.28 118.95 118.64 2k02 s ARG 72 Ca -0.01 -0.31 -0.06 0.00 -0.47 0.00 0.00 55.73 54.88 2k02 s ARG 72 Cb -0.08 0.46 0.05 0.00 -0.57 0.00 0.00 34.95 34.80 2k02 s ARG 72 CO -0.17 -0.37 0.28 1.14 -1.08 0.00 0.00 175.30 175.10 2k02 s GLN 73 N -2.59 0.25 0.42 3.89 -2.07 -0.95 -3.56 119.66 115.05 2k02 s GLN 73 Ca -0.04 0.57 0.07 0.00 -1.82 0.00 0.00 55.36 54.14 2k02 s GLN 73 Cb -0.01 -0.09 -0.05 0.00 -1.09 0.00 0.00 33.01 31.78 2k02 s GLN 73 CO -0.03 -0.16 0.18 -1.83 -1.32 0.00 0.00 175.29 172.13 2k02 s GLU 74 N 1.23 2.22 0.01 9.60 -1.05 -1.26 -0.84 118.70 128.61 2k02 s GLU 74 Ca -0.09 -1.88 0.07 0.00 -0.15 0.00 0.00 54.97 52.93 2k02 s GLU 74 Cb -0.10 -1.96 -0.03 0.00 -0.44 0.00 0.00 34.13 31.61 2k02 s GLU 74 CO -0.09 -0.14 -0.21 -0.46 0.95 0.00 0.00 175.26 175.31 2k02 s TRP 75 N -2.62 2.48 -0.11 4.83 -0.11 0.43 -4.41 118.94 119.43 2k02 s TRP 75 Ca 0.40 -0.32 0.01 0.00 1.22 0.00 0.00 56.10 57.41 2k02 s TRP 75 Cb 0.04 -1.49 -0.02 0.00 -1.50 0.00 0.00 33.47 30.51 2k02 s TRP 75 CO 0.22 0.15 -0.15 -0.46 -4.62 0.00 0.00 176.95 172.09 2k02 s TRP 76 N -0.79 2.76 0.01 5.86 -0.00 -0.60 -0.03 118.94 126.14 2k02 s TRP 76 Ca 0.12 -0.58 -0.03 0.00 -0.00 0.00 0.00 56.10 55.62 2k02 s TRP 76 Cb -0.10 -1.78 -0.01 0.00 -0.00 0.00 0.00 33.47 31.58 2k02 s TRP 76 CO 0.02 -0.15 0.04 0.00 -0.00 0.00 0.00 176.95 176.87 2k02 s ALA 77 N 0.11 -0.07 0.41 5.86 0.00 -0.48 -2.18 121.76 125.41 2k02 s ALA 77 Ca -0.07 -0.35 0.08 0.00 0.00 0.00 0.00 51.96 51.61 2k02 s ALA 77 Cb -0.15 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2k02 s ALA 77 CO 0.05 -0.17 0.31 -0.51 0.00 0.00 0.00 175.76 175.44 2k02 s LEU 78 N -1.31 3.32 0.00 0.00 1.02 -1.26 -1.97 118.68 118.47 2k02 s LEU 78 Ca -0.14 -0.83 0.00 0.00 0.02 0.00 0.00 54.13 53.18 2k02 s LEU 78 Cb -0.08 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.24 2k02 s LEU 78 CO 0.00 -0.60 0.38 -1.14 0.02 0.00 0.00 176.35 175.01