#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 3.61 0.56 3.04 0.00 -1.26 -5.03 121.76 122.68 2k02 s ALA 2 Ca 0.00 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.34 2k02 s ALA 2 Cb 0.00 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.61 2k02 s ALA 2 CO 0.00 -0.75 0.34 -1.12 0.00 0.00 0.00 175.76 174.23 2k02 s SER 3 N 0.22 4.52 0.18 0.00 0.01 -1.26 -5.03 113.70 112.34 2k02 s SER 3 Ca 0.58 -1.38 0.26 0.00 1.31 0.00 0.00 55.95 56.72 2k02 s SER 3 Cb -0.42 0.59 0.83 0.00 0.21 0.00 0.00 66.02 67.23 2k02 s SER 3 CO 0.46 -1.13 1.77 0.00 0.41 0.00 0.00 173.24 174.74 2k02 n LEU 4 N -1.72 0.70 -0.16 2.44 -0.00 -1.26 -3.77 117.00 113.23 2k02 n LEU 4 Ca -0.06 0.54 -0.03 0.00 -0.00 0.00 0.00 56.01 56.46 2k02 n LEU 4 Cb 0.65 -0.33 0.06 0.00 -0.00 0.00 0.00 43.42 43.80 2k02 n LEU 4 CO 0.38 -0.15 0.98 0.24 -0.00 0.00 0.00 177.39 178.84 2k02 h MET 5 N 0.00 0.38 0.49 1.47 2.86 -1.97 0.70 114.93 118.86 2k02 h MET 5 Ca 0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2k02 h MET 5 Cb 0.71 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 2k02 h MET 5 CO 0.00 0.25 -0.29 0.93 1.06 0.00 0.00 176.91 178.86 2k02 h GLU 6 N 0.39 -0.71 -0.84 1.72 5.08 -2.00 -2.01 114.58 116.22 2k02 h GLU 6 Ca 0.24 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.71 2k02 h GLU 6 Cb 0.23 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2k02 h GLU 6 CO -0.22 -0.47 0.55 -0.39 -1.00 0.00 0.00 179.01 177.47 2k02 h VAL 7 N -0.73 1.05 -0.34 3.13 -1.51 -1.73 -2.18 116.25 113.94 2k02 h VAL 7 Ca -0.07 -0.32 0.07 0.00 -1.23 0.00 0.00 66.70 65.16 2k02 h VAL 7 Cb 0.58 0.04 -0.08 0.00 -2.13 0.00 0.00 31.29 29.70 2k02 h VAL 7 CO 0.07 0.17 -0.28 -0.09 -1.23 0.00 0.00 177.57 176.21 2k02 h ARG 8 N 0.92 -0.23 -0.29 5.19 2.43 0.65 0.23 114.38 123.29 2k02 h ARG 8 Ca 0.36 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 2k02 h ARG 8 Cb 0.22 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2k02 h ARG 8 CO -0.13 -0.15 0.09 -0.44 -1.51 0.00 0.00 179.97 177.83 2k02 h ASP 9 N -0.24 0.42 -0.51 -3.80 5.19 -0.85 -1.72 116.42 114.92 2k02 h ASP 9 Ca 0.16 -0.20 0.09 0.00 -0.62 0.00 0.00 57.03 56.47 2k02 h ASP 9 Cb 0.50 -0.11 -0.08 0.00 0.18 0.00 0.00 39.33 39.82 2k02 h ASP 9 CO -0.48 0.51 0.04 0.24 -3.12 0.00 0.00 179.24 176.44 2k02 h MET 10 N 0.31 0.16 -0.22 3.56 2.86 -0.74 -0.76 114.93 120.10 2k02 h MET 10 Ca 0.09 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2k02 h MET 10 Cb 0.24 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2k02 h MET 10 CO -0.00 0.11 0.12 -0.07 1.06 0.00 0.00 176.91 178.13 2k02 h LEU 11 N 0.17 0.27 -2.32 1.22 -0.00 -0.41 0.61 115.31 114.85 2k02 h LEU 11 Ca 0.26 -0.08 0.04 0.00 -0.00 0.00 0.00 57.88 58.10 2k02 h LEU 11 Cb 0.37 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2k02 h LEU 11 CO -0.38 0.27 0.18 0.00 -0.00 0.00 0.00 178.44 178.50 2k02 h ALA 12 N 1.01 1.63 0.00 1.53 0.00 -0.36 0.63 119.26 123.70 2k02 h ALA 12 Ca 0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2k02 h ALA 12 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2k02 h ALA 12 CO -0.01 -0.24 -2.08 1.28 0.00 0.00 0.00 179.25 178.19 2k02 n LEU 13 N -3.60 0.01 0.00 0.00 4.77 -0.38 -4.80 117.00 113.00 2k02 n LEU 13 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k02 n LEU 13 Cb 0.28 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2k02 n LEU 13 CO 0.25 0.11 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 2k02 n GLN 14 N -2.38 0.00 0.00 3.23 1.13 0.21 -5.08 117.38 114.49 2k02 n GLN 14 Ca -0.11 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 2k02 n GLN 14 Cb 0.71 -0.22 0.00 0.00 0.11 0.00 0.00 30.24 30.83 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 2.46 1.60 2.72 1.08 0.00 0.21 -5.01 105.19 108.24 2k02 n GLY 15 Ca 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 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 1.93 -2.24 -3.83 1.61 3.00 -1.26 -5.00 116.66 110.88 2k02 n ARG 16 Ca 0.00 2.02 -0.07 0.00 -0.01 0.00 0.00 57.85 59.79 2k02 n ARG 16 Cb 0.00 -5.30 0.01 0.00 0.00 0.00 0.00 32.46 27.17 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 -2.41 1.93 0.15 5.56 -1.94 0.08 -4.98 119.30 117.69 2k02 s MET 17 Ca 0.21 -1.18 0.09 0.00 -1.71 0.00 0.00 55.69 53.11 2k02 s MET 17 Cb -0.06 0.59 -0.04 0.00 2.01 0.00 0.00 34.83 37.33 2k02 s MET 17 CO 0.70 -0.90 -0.20 -1.21 -0.01 0.00 0.00 175.02 173.41 2k02 s GLU 18 N -2.95 1.27 0.37 2.03 2.02 -1.26 -1.44 118.70 118.74 2k02 s GLU 18 Ca 0.14 -1.37 0.22 0.00 0.02 0.00 0.00 54.97 53.99 2k02 s GLU 18 Cb -0.05 -1.42 0.23 0.00 0.10 0.00 0.00 34.13 32.99 2k02 s GLU 18 CO 0.09 0.30 1.45 0.00 0.02 0.00 0.00 175.26 177.12 2k02 h ALA 19 N 3.44 0.85 -0.53 5.21 0.00 -1.94 -3.33 119.26 122.96 2k02 h ALA 19 Ca -0.44 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.52 2k02 h ALA 19 Cb 1.20 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2k02 h ALA 19 CO 0.48 0.04 0.15 1.57 0.00 0.00 0.00 179.25 181.49 2k02 h LYS 20 N 0.00 0.29 0.50 0.00 2.10 -1.92 0.99 116.57 118.53 2k02 h LYS 20 Ca -0.00 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2k02 h LYS 20 Cb 1.03 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2k02 h LYS 20 CO 0.00 0.19 -0.24 1.96 -2.00 0.00 0.00 179.45 179.37 2k02 h GLN 21 N 0.30 -0.64 -0.70 0.07 1.08 -1.99 -2.19 115.11 111.04 2k02 h GLN 21 Ca 0.27 0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.58 2k02 h GLN 21 Cb 0.34 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 2k02 h GLN 21 CO -0.31 -0.34 0.46 -0.07 -0.95 0.00 0.00 178.83 177.62 2k02 h LEU 22 N -1.02 0.61 -0.47 1.46 3.38 -1.64 -1.82 115.31 115.81 2k02 h LEU 22 Ca -0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2k02 h LEU 22 Cb 0.60 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2k02 h LEU 22 CO 0.11 0.39 0.16 0.77 0.09 0.00 0.00 178.44 179.96 2k02 h SER 23 N 0.69 0.67 -0.69 -0.43 4.64 0.11 -2.87 113.55 115.66 2k02 h SER 23 Ca 0.30 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2k02 h SER 23 Cb 0.31 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 2k02 h SER 23 CO -0.10 0.69 0.27 0.00 -0.87 0.00 0.00 176.83 176.82 2k02 h ALA 24 N 1.01 0.90 0.00 5.18 0.00 -0.69 0.17 119.26 125.84 2k02 h ALA 24 Ca 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k02 h ALA 24 Cb 0.25 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k02 h ALA 24 CO -0.01 0.54 -0.02 0.00 0.00 0.00 0.00 179.25 179.76 2k02 h ARG 25 N 0.99 0.00 -0.15 0.00 3.08 -1.24 -1.59 114.38 115.47 2k02 h ARG 25 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2k02 h ARG 25 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2k02 h ARG 25 CO -0.02 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.19 2k02 n LEU 26 N -3.73 2.30 -2.25 3.04 4.77 -0.86 -5.06 117.00 115.20 2k02 n LEU 26 Ca -0.03 -1.43 -0.04 0.00 -0.03 0.00 0.00 56.01 54.49 2k02 n LEU 26 Cb 0.11 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2k02 n LEU 26 CO 0.27 0.51 -0.46 0.00 -1.33 0.00 0.00 177.39 176.39 2k02 n GLN 27 N 0.53 -3.12 -3.63 3.23 1.13 0.55 -5.06 117.38 111.01 2k02 n GLN 27 Ca 0.08 2.51 -0.11 0.00 -1.94 0.00 0.00 57.00 57.54 2k02 n GLN 27 Cb 0.33 -3.82 -0.07 0.00 0.11 0.00 0.00 30.24 26.78 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 -0.51 0.00 -0.40 5.09 2.01 -1.01 -4.95 115.64 115.87 2k02 s THR 28 Ca -0.19 0.00 -0.41 0.00 0.31 0.00 0.00 61.69 61.41 2k02 s THR 28 Cb 0.01 -1.00 -0.16 0.00 0.01 0.00 0.00 72.50 71.36 2k02 s THR 28 CO 0.55 0.00 1.98 -2.65 -0.69 0.00 0.00 174.62 173.81 2k02 n PRO 29 N 2.64 0.63 -0.22 4.92 -0.02 -1.26 -4.59 135.00 137.10 2k02 n PRO 29 Ca -0.14 0.20 -0.03 0.00 -2.02 0.00 0.00 63.50 61.51 2k02 n PRO 29 Cb 0.56 -1.95 0.07 0.00 -0.02 0.00 0.00 33.50 32.16 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 9.00 0.70 0.24 -0.52 4.15 -1.94 -3.06 115.11 123.69 2k02 h GLN 30 Ca -0.29 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.09 2k02 h GLN 30 Cb 1.36 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 2k02 h GLN 30 CO 1.02 0.47 -0.40 -1.35 -1.93 0.00 0.00 178.83 176.64 2k02 h PRO 31 N 0.72 -0.68 -1.27 -2.39 0.11 -1.84 -1.76 132.00 124.89 2k02 h PRO 31 Ca 0.27 0.05 0.37 0.00 0.11 0.00 0.00 66.00 66.79 2k02 h PRO 31 Cb 0.08 0.16 -0.07 0.00 0.11 0.00 0.00 31.00 31.28 2k02 h PRO 31 CO -0.13 -0.46 0.88 1.25 -0.21 0.00 0.00 178.00 179.34 2k02 h LEU 32 N -0.71 0.12 -1.70 2.35 7.12 -1.81 0.43 115.31 121.12 2k02 h LEU 32 Ca -0.00 0.03 0.22 0.00 0.13 0.00 0.00 57.88 58.26 2k02 h LEU 32 Cb 0.69 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.78 2k02 h LEU 32 CO -0.16 -0.00 0.60 0.40 -0.13 0.00 0.00 178.44 179.15 2k02 h ILE 33 N 0.09 0.64 -0.95 4.05 1.08 -1.25 0.16 117.51 121.32 2k02 h ILE 33 Ca 0.65 -0.08 0.21 0.00 -0.39 0.00 0.00 64.86 65.24 2k02 h ILE 33 Cb 2.33 0.37 -0.08 0.00 -3.07 0.00 0.00 36.82 36.37 2k02 h ILE 33 CO -0.11 0.04 0.62 -2.24 -0.69 0.00 0.00 178.15 175.77 2k02 h ASP 34 N 0.24 0.49 1.11 1.72 3.04 -0.10 0.38 116.42 123.30 2k02 h ASP 34 Ca 0.44 0.06 -0.18 0.00 -3.24 0.00 0.00 57.03 54.11 2k02 h ASP 34 Cb 1.34 -0.03 -0.03 0.00 -1.04 0.00 0.00 39.33 39.58 2k02 h ASP 34 CO -0.11 0.17 -0.90 0.00 -2.04 0.00 0.00 179.24 176.36 2k02 h ALA 35 N 1.61 0.49 0.19 4.15 0.00 -0.87 -2.07 119.26 122.76 2k02 h ALA 35 Ca 0.51 -0.80 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2k02 h ALA 35 Cb 1.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2k02 h ALA 35 CO -0.23 1.06 -0.23 1.98 0.00 0.00 0.00 179.25 181.83 2k02 h MET 36 N 0.00 -0.45 0.04 0.00 1.85 -0.07 1.02 114.93 117.32 2k02 h MET 36 Ca -0.03 0.03 -0.19 0.00 -0.61 0.00 0.00 59.70 58.90 2k02 h MET 36 Cb 1.66 0.10 0.02 0.00 0.43 0.00 0.00 31.60 33.81 2k02 h MET 36 CO 0.10 -0.30 -0.77 -0.07 -0.40 0.00 0.00 176.91 175.47 2k02 h LEU 37 N -0.47 0.60 -1.00 3.39 4.07 -1.56 -2.32 115.31 118.02 2k02 h LEU 37 Ca 0.01 -0.80 0.03 0.00 0.08 0.00 0.00 57.88 57.19 2k02 h LEU 37 Cb 0.45 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 2k02 h LEU 37 CO -0.08 1.34 0.66 -0.08 -1.08 0.00 0.00 178.44 179.20 2k02 h GLU 38 N -0.06 1.26 0.34 1.13 4.81 -1.30 -1.19 114.58 119.58 2k02 h GLU 38 Ca -0.11 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2k02 h GLU 38 Cb 1.49 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2k02 h GLU 38 CO 0.15 0.84 -0.16 -0.09 -0.73 0.00 0.00 179.01 179.01 2k02 h ARG 39 N 1.30 -0.44 -0.97 1.92 2.43 0.10 0.13 114.38 118.85 2k02 h ARG 39 Ca 0.38 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.82 2k02 h ARG 39 Cb -0.07 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 29.46 2k02 h ARG 39 CO -0.11 -0.17 0.54 1.98 -1.51 0.00 0.00 179.97 180.71 2k02 h MET 40 N -1.03 0.53 0.00 0.20 4.05 -1.36 0.44 114.93 117.76 2k02 h MET 40 Ca -0.05 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.25 2k02 h MET 40 Cb 0.48 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2k02 h MET 40 CO 0.08 0.35 -0.58 1.49 0.23 0.00 0.00 176.91 178.48 2k02 h GLU 41 N 0.55 0.00 -0.90 0.39 4.22 -1.26 -3.30 114.58 114.28 2k02 h GLU 41 Ca 0.61 0.00 0.26 0.00 0.08 0.00 0.00 59.36 60.31 2k02 h GLU 41 Cb 1.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 2k02 h GLU 41 CO -0.48 0.37 0.68 0.00 -2.18 0.00 0.00 179.01 177.40 2k02 h ALA 42 N 1.59 2.83 0.00 2.92 0.00 0.27 0.62 119.26 127.49 2k02 h ALA 42 Ca -0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2k02 h ALA 42 Cb 1.33 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2k02 h ALA 42 CO 0.05 -1.14 -0.95 0.52 0.00 0.00 0.00 179.25 177.73 2k02 h MET 43 N 0.00 0.00 0.00 0.00 2.86 -1.62 -3.48 114.93 112.69 2k02 h MET 43 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 2k02 h MET 43 Cb 1.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.44 2k02 h MET 43 CO -0.00 0.67 0.00 0.41 1.06 0.00 0.00 176.91 179.05 2k02 n GLY 44 N 1.33 0.91 0.08 8.32 0.00 0.22 -5.08 105.19 110.96 2k02 n GLY 44 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 2k02 n GLY 44 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k02 h LYS 45 N 0.00 -0.18 0.00 1.61 1.63 -1.69 -3.50 116.57 114.44 2k02 h LYS 45 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2k02 h LYS 45 Cb 0.00 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2k02 h LYS 45 CO 0.00 -0.12 0.00 1.33 -3.45 0.00 0.00 179.45 177.21 2k02 n VAL 46 N -2.75 0.00 -3.84 2.00 0.24 -1.26 -5.05 118.33 107.67 2k02 n VAL 46 Ca -0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.15 2k02 n VAL 46 Cb 0.07 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.30 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 0.00 -0.01 -0.04 3.34 1.01 -0.43 -4.88 120.40 119.40 2k02 s VAL 47 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2k02 s VAL 47 Cb 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 36.38 36.34 2k02 s VAL 47 CO 0.00 0.01 0.07 -0.60 0.00 0.00 0.00 175.10 174.59 2k02 s ARG 48 N 0.19 0.01 -0.17 2.72 3.00 -1.26 -1.74 118.95 121.70 2k02 s ARG 48 Ca -0.01 0.26 0.01 0.00 -1.00 0.00 0.00 55.73 54.99 2k02 s ARG 48 Cb -0.02 -0.23 0.03 0.00 0.00 0.00 0.00 34.95 34.73 2k02 s ARG 48 CO -0.01 -0.17 -0.13 0.42 0.00 0.00 0.00 175.30 175.41 2k02 s ILE 49 N 1.16 1.59 -0.13 4.11 1.09 -0.13 -4.90 121.20 123.99 2k02 s ILE 49 Ca -0.09 -0.77 -0.29 0.00 -1.10 0.00 0.00 60.65 58.40 2k02 s ILE 49 Cb -0.12 -1.56 -0.02 0.00 -1.06 0.00 0.00 42.46 39.70 2k02 s ILE 49 CO -0.04 0.35 1.18 -0.55 -0.10 0.00 0.00 174.94 175.77 2k02 s SER 50 N 1.46 7.04 -0.01 3.58 0.15 -1.26 0.11 113.70 124.77 2k02 s SER 50 Ca 0.03 1.67 0.06 0.00 0.70 0.00 0.00 55.95 58.41 2k02 s SER 50 Cb -0.14 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 2k02 s SER 50 CO -0.10 -0.65 -0.18 -0.70 1.20 0.00 0.00 173.24 172.82 2k02 s GLU 51 N 2.81 1.44 -0.06 5.44 2.12 0.10 -4.95 118.70 125.60 2k02 s GLU 51 Ca 0.53 -0.67 -0.17 0.00 0.36 0.00 0.00 54.97 55.01 2k02 s GLU 51 Cb -0.21 -1.41 -0.05 0.00 0.26 0.00 0.00 34.13 32.72 2k02 s GLU 51 CO 0.16 0.38 0.46 -0.08 -0.54 0.00 0.00 175.26 175.65 2k02 s THR 52 N -0.47 5.08 -0.31 -1.70 -1.32 -1.26 -1.55 115.64 114.11 2k02 s THR 52 Ca 0.07 0.94 -0.28 0.00 -1.21 0.00 0.00 61.69 61.20 2k02 s THR 52 Cb -0.07 -3.79 -0.02 0.00 -1.51 0.00 0.00 72.50 67.11 2k02 s THR 52 CO -0.00 0.44 1.88 -0.55 -2.21 0.00 0.00 174.62 174.17 2k02 s SER 53 N -0.14 5.82 -0.08 8.08 0.15 -1.26 -4.80 113.70 121.47 2k02 s SER 53 Ca 0.25 1.42 0.12 0.00 0.70 0.00 0.00 55.95 58.45 2k02 s SER 53 Cb -0.16 -2.52 0.23 0.00 -1.71 0.00 0.00 66.02 61.86 2k02 s SER 53 CO 0.12 -1.75 1.11 -1.84 1.20 0.00 0.00 173.24 172.08 2k02 n GLU 54 N 8.48 0.67 -0.03 5.44 0.28 -1.26 -4.75 120.64 129.47 2k02 n GLU 54 Ca 0.24 -2.04 0.00 0.00 -0.16 0.00 0.00 57.16 55.20 2k02 n GLU 54 Cb 0.46 -0.92 -0.08 0.00 1.43 0.00 0.00 31.44 32.33 2k02 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k02 n GLY 55 N -0.56 -0.49 0.01 -1.84 0.00 -1.26 -4.79 105.19 96.26 2k02 n GLY 55 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.89 2.97 -0.10 0.00 1.02 -1.26 -5.02 118.68 111.40 2k02 s LEU 57 Ca -0.01 0.53 0.14 0.00 0.02 0.00 0.00 54.13 54.82 2k02 s LEU 57 Cb 0.00 -3.25 -0.21 0.00 0.02 0.00 0.00 46.19 42.75 2k02 s LEU 57 CO 0.01 -1.40 0.17 -1.54 0.02 0.00 0.00 176.35 173.60 2k02 n SER 58 N -2.79 1.31 -0.33 2.29 3.41 -1.26 -4.52 113.62 111.73 2k02 n SER 58 Ca 0.07 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.78 2k02 n SER 58 Cb 0.59 1.21 0.28 0.00 -0.26 0.00 0.00 64.21 66.03 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 2.95 1.62 -2.80 5.00 0.00 -1.98 -3.41 103.07 104.44 2k02 h GLY 59 Ca -0.25 -0.32 -0.54 0.00 0.00 0.00 0.00 47.33 46.22 2k02 h GLY 59 CO 0.01 -0.05 0.60 -0.45 0.00 0.00 0.00 176.54 176.66 2k02 s SER 60 N -5.43 5.39 0.31 0.19 0.15 -1.26 -4.92 113.70 108.13 2k02 s SER 60 Ca -0.12 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.26 2k02 s SER 60 Cb 0.24 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2k02 s SER 60 CO 0.79 -1.49 0.00 0.00 1.20 0.00 0.00 173.24 173.75 2k02 n LYS 62 N -3.47 0.00 -3.51 0.00 3.00 -1.26 -5.09 118.16 107.83 2k02 n LYS 62 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2k02 n LYS 62 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 2k02 n LYS 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2k02 s SER 63 N -1.00 0.42 0.17 3.14 1.04 -1.26 -5.15 113.70 111.06 2k02 s SER 63 Ca 0.00 0.35 -0.18 0.00 0.48 0.00 0.00 55.95 56.61 2k02 s SER 63 Cb 0.00 0.90 -0.07 0.00 0.10 0.00 0.00 66.02 66.95 2k02 s SER 63 CO 0.00 -0.28 0.64 0.00 0.98 0.00 0.00 173.24 174.58 2k02 h PRO 65 N 3.62 0.16 0.00 0.00 0.13 -2.02 -3.38 132.00 130.52 2k02 h PRO 65 Ca -0.48 -0.09 -0.42 0.00 -0.87 0.00 0.00 66.00 64.13 2k02 h PRO 65 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 2k02 h PRO 65 CO 0.65 0.61 -2.41 -1.91 -0.23 0.00 0.00 178.00 174.71 2k02 n GLU 66 N -4.71 0.61 -2.18 0.86 4.07 -1.26 -5.08 120.64 112.95 2k02 n GLU 66 Ca -0.07 0.26 -0.04 0.00 -0.06 0.00 0.00 57.16 57.24 2k02 n GLU 66 Cb 0.31 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.16 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 1.57 -1.12 3.66 8.31 0.00 -1.26 -4.95 105.19 111.40 2k02 n GLY 67 Ca -0.50 0.56 -0.43 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 -1.77 4.25 1.78 1.61 2.20 -1.26 -4.84 119.74 121.71 2k02 s LYS 68 Ca 0.12 1.67 0.00 0.00 -0.36 0.00 0.00 55.97 57.40 2k02 s LYS 68 Cb -0.03 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 2k02 s LYS 68 CO 0.39 -0.67 0.00 0.00 -0.36 0.00 0.00 175.35 174.71 2k02 n ALA 69 N 6.40 -0.44 -3.11 3.13 0.00 -1.26 -4.89 120.51 120.34 2k02 n ALA 69 Ca 0.13 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 2k02 n ALA 69 Cb 0.45 -0.15 -0.15 0.00 0.00 0.00 0.00 19.45 19.60 2k02 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k02 s ALA 70 N -2.01 0.22 -0.30 0.00 0.00 -1.26 -5.12 121.76 113.29 2k02 s ALA 70 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.01 2k02 s ALA 70 Cb 0.00 -0.13 0.19 0.00 0.00 0.00 0.00 23.12 23.18 2k02 s ALA 70 CO 0.00 0.01 0.55 0.00 0.00 0.00 0.00 175.76 176.32 2k02 s ARG 72 N 2.72 0.75 -0.01 0.00 1.70 -1.26 -4.35 118.95 118.49 2k02 s ARG 72 Ca 0.10 -0.99 0.02 0.00 -0.47 0.00 0.00 55.73 54.39 2k02 s ARG 72 Cb -0.10 0.29 -0.00 0.00 -0.57 0.00 0.00 34.95 34.57 2k02 s ARG 72 CO -0.26 -0.21 -0.07 1.14 -1.08 0.00 0.00 175.30 174.83 2k02 s GLN 73 N -3.67 0.59 0.65 3.89 1.03 -0.60 -3.25 119.66 118.30 2k02 s GLN 73 Ca 0.04 -0.23 0.02 0.00 0.04 0.00 0.00 55.36 55.23 2k02 s GLN 73 Cb 0.05 -0.57 0.10 0.00 0.03 0.00 0.00 33.01 32.61 2k02 s GLN 73 CO -0.10 0.12 0.90 -1.21 -2.54 0.00 0.00 175.29 172.47 2k02 s GLU 74 N -0.03 1.98 -0.16 9.60 0.41 -1.26 -0.72 118.70 128.53 2k02 s GLU 74 Ca 0.01 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 2k02 s GLU 74 Cb -0.04 -2.44 0.03 0.00 -1.78 0.00 0.00 34.13 29.90 2k02 s GLU 74 CO -0.00 -1.17 -0.11 -0.46 -0.49 0.00 0.00 175.26 173.03 2k02 s TRP 75 N -2.96 2.06 -0.07 1.61 -0.11 0.31 -4.53 118.94 115.24 2k02 s TRP 75 Ca 0.64 -1.22 -0.08 0.00 1.22 0.00 0.00 56.10 56.65 2k02 s TRP 75 Cb -0.06 -1.51 -0.04 0.00 -1.50 0.00 0.00 33.47 30.35 2k02 s TRP 75 CO 0.42 -0.66 0.22 -0.46 -4.62 0.00 0.00 176.95 171.85 2k02 s TRP 76 N 1.52 3.62 0.09 5.86 -0.00 -0.52 -0.96 118.94 128.55 2k02 s TRP 76 Ca 0.03 0.63 -0.27 0.00 -0.00 0.00 0.00 56.10 56.49 2k02 s TRP 76 Cb -0.14 -2.02 0.08 0.00 -0.00 0.00 0.00 33.47 31.39 2k02 s TRP 76 CO -0.09 0.70 1.00 0.00 -0.00 0.00 0.00 176.95 178.56 2k02 s ALA 77 N -1.08 -1.78 0.27 5.86 0.00 -0.71 -0.74 121.76 123.57 2k02 s ALA 77 Ca 0.19 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.63 2k02 s ALA 77 Cb -0.13 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2k02 s ALA 77 CO 0.08 -0.96 0.26 -0.51 0.00 0.00 0.00 175.76 174.63 2k02 s LEU 78 N -2.84 3.91 0.00 0.00 1.02 -1.26 -1.31 118.68 118.20 2k02 s LEU 78 Ca 0.11 -0.21 0.13 0.00 0.02 0.00 0.00 54.13 54.18 2k02 s LEU 78 Cb -0.00 -2.47 0.75 0.00 0.02 0.00 0.00 46.19 44.48 2k02 s LEU 78 CO -0.01 -0.12 1.18 0.54 0.02 0.00 0.00 176.35 177.96