#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 3.34 0.04 -5.12 0.00 -1.26 -5.06 121.76 113.70 2k02 s ALA 2 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2k02 s ALA 2 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2k02 s ALA 2 CO 0.00 0.10 -0.04 -1.12 0.00 0.00 0.00 175.76 174.70 2k02 s SER 3 N -0.42 0.47 0.56 0.00 0.01 -1.26 -5.03 113.70 108.03 2k02 s SER 3 Ca 0.41 -0.70 0.31 0.00 1.31 0.00 0.00 55.95 57.29 2k02 s SER 3 Cb -0.23 0.12 1.68 0.00 0.21 0.00 0.00 66.02 67.81 2k02 s SER 3 CO 0.27 -0.39 2.15 0.17 0.41 0.00 0.00 173.24 175.85 2k02 h LEU 4 N 4.05 0.00 -1.09 2.44 8.10 -1.97 -2.53 115.31 124.30 2k02 h LEU 4 Ca -0.33 0.00 0.09 0.00 0.11 0.00 0.00 57.88 57.74 2k02 h LEU 4 Cb 1.18 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 41.34 2k02 h LEU 4 CO 0.50 0.06 0.61 0.24 -4.11 0.00 0.00 178.44 175.75 2k02 h MET 5 N 0.00 1.00 0.59 0.17 2.86 -1.96 0.38 114.93 117.96 2k02 h MET 5 Ca -0.00 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2k02 h MET 5 Cb 0.23 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2k02 h MET 5 CO 0.01 0.66 -0.32 1.49 1.06 0.00 0.00 176.91 179.81 2k02 h GLU 6 N 1.03 -0.80 0.00 1.72 4.57 -1.88 -2.45 114.58 116.76 2k02 h GLU 6 Ca 0.43 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.65 2k02 h GLU 6 Cb 0.32 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2k02 h GLU 6 CO -0.19 -0.54 -0.11 -0.39 -1.18 0.00 0.00 179.01 176.61 2k02 h VAL 7 N -0.83 0.91 0.42 0.32 -1.51 -1.66 -1.94 116.25 111.95 2k02 h VAL 7 Ca -0.08 -0.38 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 2k02 h VAL 7 Cb 0.65 1.22 -0.03 0.00 -2.13 0.00 0.00 31.29 31.00 2k02 h VAL 7 CO 0.11 0.10 -0.50 -0.09 -1.23 0.00 0.00 177.57 175.96 2k02 h ARG 8 N 0.00 -0.91 -0.06 5.19 2.43 0.03 -0.57 114.38 120.49 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 0.21 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2k02 h ARG 8 CO 0.01 -0.61 -0.03 0.22 -1.51 0.00 0.00 179.97 178.06 2k02 h ASP 9 N -0.94 0.14 -0.74 -3.80 1.82 -1.31 0.17 116.42 111.75 2k02 h ASP 9 Ca -0.05 -0.42 0.15 0.00 -0.39 0.00 0.00 57.03 56.32 2k02 h ASP 9 Cb 0.84 -0.04 -0.14 0.00 0.68 0.00 0.00 39.33 40.67 2k02 h ASP 9 CO -0.11 0.53 -0.16 0.24 -1.61 0.00 0.00 179.24 178.13 2k02 h MET 10 N -0.25 0.01 0.07 0.28 2.86 -1.31 -0.43 114.93 116.16 2k02 h MET 10 Ca 0.01 -0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.39 2k02 h MET 10 Cb 0.47 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2k02 h MET 10 CO 0.01 0.01 -1.27 -0.07 1.06 0.00 0.00 176.91 176.65 2k02 h LEU 11 N 0.01 0.24 -2.01 1.22 4.07 -1.12 -3.28 115.31 114.45 2k02 h LEU 11 Ca 0.36 -0.28 0.14 0.00 0.08 0.00 0.00 57.88 58.17 2k02 h LEU 11 Cb 0.56 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2k02 h LEU 11 CO -0.75 1.23 0.43 0.00 -1.08 0.00 0.00 178.44 178.27 2k02 h ALA 12 N 0.74 2.28 0.00 1.53 0.00 0.95 1.36 119.26 126.12 2k02 h ALA 12 Ca -0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2k02 h ALA 12 Cb 1.92 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2k02 h ALA 12 CO 0.16 -0.68 -0.35 -0.07 0.00 0.00 0.00 179.25 178.32 2k02 h LEU 13 N 0.00 0.00 0.00 0.00 3.38 -1.35 -3.42 115.31 113.92 2k02 h LEU 13 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2k02 h LEU 13 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2k02 h LEU 13 CO -0.00 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.88 2k02 n GLN 14 N -3.25 0.00 0.00 1.13 6.02 0.19 -5.15 117.38 116.32 2k02 n GLN 14 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2k02 n GLN 14 Cb 0.62 -0.06 0.00 0.00 1.02 0.00 0.00 30.24 31.82 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 3.29 2.61 2.88 1.08 0.00 0.41 -5.06 105.19 110.39 2k02 n GLY 15 Ca 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.17 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 0.94 -2.66 -3.87 1.61 3.00 -1.25 -4.93 116.66 109.51 2k02 n ARG 16 Ca 0.00 2.25 -0.09 0.00 -0.01 0.00 0.00 57.85 60.00 2k02 n ARG 16 Cb 0.00 -4.67 -0.00 0.00 0.00 0.00 0.00 32.46 27.79 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 -1.90 2.00 -0.07 5.56 -1.94 0.66 -4.98 119.30 118.63 2k02 s MET 17 Ca 0.10 -1.30 0.05 0.00 -1.71 0.00 0.00 55.69 52.83 2k02 s MET 17 Cb -0.02 0.59 -0.00 0.00 2.01 0.00 0.00 34.83 37.40 2k02 s MET 17 CO 0.69 -0.91 -0.24 -1.83 -0.01 0.00 0.00 175.02 172.72 2k02 s GLU 18 N -3.06 2.68 0.43 2.03 1.03 -1.26 0.02 118.70 120.57 2k02 s GLU 18 Ca 0.16 -0.86 0.30 0.00 0.03 0.00 0.00 54.97 54.60 2k02 s GLU 18 Cb -0.05 -2.15 1.22 0.00 -0.80 0.00 0.00 34.13 32.35 2k02 s GLU 18 CO 0.10 0.27 1.87 0.00 -1.33 0.00 0.00 175.26 176.18 2k02 h ALA 19 N 6.38 1.00 -0.82 -0.84 0.00 -1.92 -3.15 119.26 119.91 2k02 h ALA 19 Ca -0.26 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.80 2k02 h ALA 19 Cb 1.20 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2k02 h ALA 19 CO 0.47 0.00 0.38 1.57 0.00 0.00 0.00 179.25 181.67 2k02 h LYS 20 N 0.00 0.52 0.21 0.00 2.10 -1.93 0.87 116.57 118.33 2k02 h LYS 20 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2k02 h LYS 20 Cb 0.44 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2k02 h LYS 20 CO 0.00 0.34 -0.10 1.96 -2.00 0.00 0.00 179.45 179.65 2k02 h GLN 21 N 0.54 -0.27 -0.74 0.07 1.08 -1.96 -0.12 115.11 113.71 2k02 h GLN 21 Ca 0.45 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.67 2k02 h GLN 21 Cb 0.69 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 2k02 h GLN 21 CO -0.39 0.04 0.45 -0.07 -0.95 0.00 0.00 178.83 177.90 2k02 h LEU 22 N -0.58 0.88 -1.24 1.46 3.38 -1.53 0.72 115.31 118.40 2k02 h LEU 22 Ca -0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2k02 h LEU 22 Cb 0.43 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2k02 h LEU 22 CO 0.05 0.68 -0.24 0.77 0.09 0.00 0.00 178.44 179.79 2k02 h SER 23 N 1.01 0.21 0.67 -0.43 4.64 0.76 -2.81 113.55 117.58 2k02 h SER 23 Ca 0.26 -0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 61.26 2k02 h SER 23 Cb -0.04 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 2k02 h SER 23 CO -0.05 0.46 -1.34 0.00 -0.87 0.00 0.00 176.83 175.03 2k02 h ALA 24 N 1.56 0.34 -0.11 5.18 0.00 -0.25 -0.37 119.26 125.61 2k02 h ALA 24 Ca 0.03 -1.06 0.03 0.00 0.00 0.00 0.00 54.91 53.91 2k02 h ALA 24 Cb 0.54 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k02 h ALA 24 CO 0.04 1.21 0.11 -0.09 0.00 0.00 0.00 179.25 180.52 2k02 h ARG 25 N 0.04 0.00 0.00 0.00 9.65 0.70 -1.67 114.38 123.09 2k02 h ARG 25 Ca -0.16 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2k02 h ARG 25 Cb 1.93 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.51 2k02 h ARG 25 CO 0.15 0.00 -0.02 1.28 2.80 0.00 0.00 179.97 184.18 2k02 n LEU 26 N -3.94 1.84 -2.32 3.80 4.77 -1.16 -5.09 117.00 114.90 2k02 n LEU 26 Ca -0.00 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.93 2k02 n LEU 26 Cb 0.22 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2k02 n LEU 26 CO 0.29 0.50 -0.47 0.00 -1.33 0.00 0.00 177.39 176.37 2k02 n GLN 27 N -0.66 -5.02 -3.64 3.23 1.13 -0.63 -5.07 117.38 106.72 2k02 n GLN 27 Ca 0.04 3.62 -0.13 0.00 -1.94 0.00 0.00 57.00 58.58 2k02 n GLN 27 Cb 0.38 -4.50 -0.07 0.00 0.11 0.00 0.00 30.24 26.16 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 -0.57 -0.00 0.20 5.09 2.01 -0.24 -4.92 115.64 117.21 2k02 s THR 28 Ca 0.00 0.00 -0.32 0.00 0.31 0.00 0.00 61.69 61.68 2k02 s THR 28 Cb 0.00 -0.96 -0.15 0.00 0.01 0.00 0.00 72.50 71.40 2k02 s THR 28 CO 0.00 0.00 1.14 -2.65 -0.69 0.00 0.00 174.62 172.42 2k02 n PRO 29 N 2.82 1.21 -0.04 4.92 -0.02 -1.26 -4.76 135.00 137.87 2k02 n PRO 29 Ca -0.14 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 61.61 2k02 n PRO 29 Cb 0.55 -1.90 -0.08 0.00 -0.02 0.00 0.00 33.50 32.05 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 3.13 0.53 0.00 -0.52 4.20 -1.98 -3.07 115.11 117.40 2k02 h GLN 30 Ca -0.42 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 57.90 2k02 h GLN 30 Cb 1.34 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2k02 h GLN 30 CO 0.68 1.01 0.07 -1.35 -0.67 0.00 0.00 178.83 178.57 2k02 h PRO 31 N 0.15 0.00 0.01 1.46 0.11 -1.85 -2.48 132.00 129.40 2k02 h PRO 31 Ca -0.01 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 2k02 h PRO 31 Cb 1.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2k02 h PRO 31 CO 0.09 0.00 -1.00 1.25 -0.21 0.00 0.00 178.00 178.13 2k02 h LEU 32 N 0.00 0.02 -0.70 2.35 7.12 -1.79 -3.38 115.31 118.93 2k02 h LEU 32 Ca 0.00 -0.64 0.16 0.00 0.13 0.00 0.00 57.88 57.53 2k02 h LEU 32 Cb 0.14 -0.01 -0.12 0.00 -0.53 0.00 0.00 40.66 40.14 2k02 h LEU 32 CO 0.00 1.39 0.04 0.40 -0.13 0.00 0.00 178.44 180.14 2k02 h ILE 33 N -0.95 0.42 -1.00 4.05 1.08 -1.35 0.29 117.51 120.05 2k02 h ILE 33 Ca -0.27 -0.05 0.24 0.00 -0.39 0.00 0.00 64.86 64.39 2k02 h ILE 33 Cb 1.27 0.27 -0.09 0.00 -3.07 0.00 0.00 36.82 35.20 2k02 h ILE 33 CO -0.15 0.03 0.64 -2.24 -0.69 0.00 0.00 178.15 175.74 2k02 h ASP 34 N 0.14 0.50 1.25 1.72 3.04 -1.59 0.66 116.42 122.14 2k02 h ASP 34 Ca 0.38 0.08 -0.13 0.00 -3.24 0.00 0.00 57.03 54.12 2k02 h ASP 34 Cb 0.66 -0.01 -0.02 0.00 -1.04 0.00 0.00 39.33 38.92 2k02 h ASP 34 CO -0.59 0.13 -0.63 0.00 -2.04 0.00 0.00 179.24 176.11 2k02 h ALA 35 N 1.62 0.63 0.73 4.15 0.00 -0.64 -1.68 119.26 124.07 2k02 h ALA 35 Ca 0.57 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k02 h ALA 35 Cb 1.33 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k02 h ALA 35 CO -0.29 0.79 -0.35 1.98 0.00 0.00 0.00 179.25 181.38 2k02 h MET 36 N 0.00 -0.94 -0.09 0.00 4.05 0.14 0.60 114.93 118.70 2k02 h MET 36 Ca -0.01 0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 2k02 h MET 36 Cb 1.43 0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 32.44 2k02 h MET 36 CO 0.08 -0.62 -0.11 -0.07 0.23 0.00 0.00 176.91 176.43 2k02 h LEU 37 N -1.01 0.26 -0.82 3.39 4.07 -1.50 -2.37 115.31 117.34 2k02 h LEU 37 Ca -0.10 -0.50 0.13 0.00 0.08 0.00 0.00 57.88 57.49 2k02 h LEU 37 Cb 0.76 -0.07 -0.09 0.00 1.08 0.00 0.00 40.66 42.34 2k02 h LEU 37 CO 0.16 0.71 0.42 -0.08 -1.08 0.00 0.00 178.44 178.57 2k02 h GLU 38 N -0.18 0.62 -0.19 1.13 4.81 -1.32 0.13 114.58 119.58 2k02 h GLU 38 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k02 h GLU 38 Cb 0.64 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2k02 h GLU 38 CO 0.03 0.41 0.12 -0.09 -0.73 0.00 0.00 179.01 178.75 2k02 h ARG 39 N 0.64 0.25 0.00 1.92 2.43 0.30 0.76 114.38 120.67 2k02 h ARG 39 Ca 0.43 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 2k02 h ARG 39 Cb 0.55 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2k02 h ARG 39 CO -0.33 0.17 -0.05 1.98 -1.51 0.00 0.00 179.97 180.24 2k02 h MET 40 N 0.24 0.00 0.00 0.20 4.05 -0.63 -0.64 114.93 118.15 2k02 h MET 40 Ca 0.07 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.44 2k02 h MET 40 Cb -0.02 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 2k02 h MET 40 CO -0.01 0.05 -0.83 0.93 0.23 0.00 0.00 176.91 177.27 2k02 h GLU 41 N 0.00 0.00 -0.44 0.39 4.39 0.31 -3.33 114.58 115.90 2k02 h GLU 41 Ca -0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 2k02 h GLU 41 Cb 0.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2k02 h GLU 41 CO 0.01 0.11 0.56 0.00 -1.16 0.00 0.00 179.01 178.53 2k02 h ALA 42 N 1.83 2.14 0.00 3.43 0.00 0.21 0.75 119.26 127.62 2k02 h ALA 42 Ca -0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2k02 h ALA 42 Cb 1.16 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2k02 h ALA 42 CO 0.02 -0.79 -1.63 0.00 0.00 0.00 0.00 179.25 176.85 2k02 n MET 43 N -3.50 0.64 0.00 0.00 0.00 -1.25 -5.01 117.12 107.99 2k02 n MET 43 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.88 2k02 n MET 43 Cb 0.73 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 32.24 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 1.40 0.82 0.13 3.17 0.00 0.26 -5.07 105.19 105.90 2k02 n GLY 44 Ca -0.11 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.25 0.00 1.61 1.63 -1.72 -3.50 116.57 114.34 2k02 h LYS 45 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2k02 h LYS 45 Cb 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2k02 h LYS 45 CO 0.00 -0.17 0.00 1.33 -3.45 0.00 0.00 179.45 177.16 2k02 n VAL 46 N -4.49 0.00 -3.70 2.00 0.24 -1.26 -4.97 118.33 106.14 2k02 n VAL 46 Ca -0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.12 2k02 n VAL 46 Cb 0.10 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.39 2k02 n VAL 46 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k02 s VAL 47 N 0.35 0.04 0.13 3.34 0.11 -0.74 -5.00 120.40 118.63 2k02 s VAL 47 Ca 0.00 -0.35 0.03 0.00 -2.93 0.00 0.00 61.98 58.72 2k02 s VAL 47 Cb 0.00 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2k02 s VAL 47 CO 0.00 -0.19 -0.07 0.00 -3.33 0.00 0.00 175.10 171.50 2k02 s ARG 48 N -1.28 0.96 -0.32 1.54 1.04 -1.26 -1.64 118.95 117.98 2k02 s ARG 48 Ca -0.13 -1.41 -0.01 0.00 -1.04 0.00 0.00 55.73 53.14 2k02 s ARG 48 Cb -0.04 -0.39 0.11 0.00 -2.04 0.00 0.00 34.95 32.59 2k02 s ARG 48 CO 0.06 0.01 0.13 0.42 -0.04 0.00 0.00 175.30 175.88 2k02 s ILE 49 N -3.50 0.62 -0.28 4.99 1.01 -0.42 -4.90 121.20 118.72 2k02 s ILE 49 Ca 0.15 -1.41 -0.27 0.00 0.00 0.00 0.00 60.65 59.12 2k02 s ILE 49 Cb 0.04 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2k02 s ILE 49 CO -0.01 -0.75 0.98 -0.94 0.00 0.00 0.00 174.94 174.22 2k02 s SER 50 N 1.53 6.91 0.11 3.58 1.04 -1.26 -0.22 113.70 125.39 2k02 s SER 50 Ca 0.11 1.06 0.06 0.00 0.48 0.00 0.00 55.95 57.66 2k02 s SER 50 Cb -0.18 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 2k02 s SER 50 CO -0.22 -0.73 -0.14 -0.70 0.98 0.00 0.00 173.24 172.42 2k02 s GLU 51 N 3.30 0.99 0.08 4.02 2.56 -0.86 -4.93 118.70 123.87 2k02 s GLU 51 Ca 0.41 -1.19 0.07 0.00 0.00 0.00 0.00 54.97 54.27 2k02 s GLU 51 Cb -0.14 -0.92 -0.03 0.00 2.00 0.00 0.00 34.13 35.04 2k02 s GLU 51 CO 0.11 0.18 -0.19 -0.08 -0.56 0.00 0.00 175.26 174.73 2k02 s THR 52 N -1.93 1.51 -0.29 -1.70 -1.32 -1.26 -2.20 115.64 108.45 2k02 s THR 52 Ca 0.07 -1.40 -0.21 0.00 -1.21 0.00 0.00 61.69 58.94 2k02 s THR 52 Cb -0.06 -1.38 -0.01 0.00 -1.51 0.00 0.00 72.50 69.54 2k02 s THR 52 CO 0.03 -0.07 0.66 -0.55 -2.21 0.00 0.00 174.62 172.49 2k02 s SER 53 N -1.72 6.55 -0.23 8.08 0.15 -1.26 -4.91 113.70 120.36 2k02 s SER 53 Ca 0.04 0.56 0.01 0.00 0.70 0.00 0.00 55.95 57.26 2k02 s SER 53 Cb -0.10 -2.35 -0.15 0.00 -1.71 0.00 0.00 66.02 61.72 2k02 s SER 53 CO 0.03 -0.47 -0.21 1.21 1.20 0.00 0.00 173.24 175.00 2k02 n GLU 54 N 5.89 0.57 0.00 5.44 4.07 -1.26 -5.09 120.64 130.27 2k02 n GLU 54 Ca 0.00 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 2k02 n GLU 54 Cb 0.49 -1.46 0.00 0.00 -0.06 0.00 0.00 31.44 30.41 2k02 n GLU 54 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k02 n GLY 55 N 2.38 0.99 0.40 8.31 0.00 -1.26 -4.91 105.19 111.11 2k02 n GLY 55 Ca -0.41 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 -5.50 -6.52 -1.77 0.00 7.94 -1.26 -4.86 117.00 105.04 2k02 n LEU 57 Ca -0.14 2.81 -0.00 0.00 -1.11 0.00 0.00 56.01 57.56 2k02 n LEU 57 Cb 0.41 -3.24 0.30 0.00 0.53 0.00 0.00 43.42 41.41 2k02 n LEU 57 CO 0.37 -3.03 0.87 -1.54 -1.11 0.00 0.00 177.39 172.95 2k02 n SER 58 N 1.86 4.69 0.00 1.96 3.41 -1.26 -4.85 113.62 119.43 2k02 n SER 58 Ca -0.03 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 2k02 n SER 58 Cb 0.05 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 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 0.19 0.62 0.30 5.00 0.00 -1.26 -4.96 105.19 105.08 2k02 n GLY 59 Ca 0.30 -0.76 -0.00 0.00 0.00 0.00 0.00 46.02 45.56 2k02 n GLY 59 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k02 h SER 60 N 0.00 0.63 0.00 1.61 0.02 -2.00 -3.45 113.55 110.35 2k02 h SER 60 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2k02 h SER 60 Cb 0.20 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2k02 h SER 60 CO 0.00 0.60 0.00 0.00 -1.14 0.00 0.00 176.83 176.29 2k02 s LYS 62 N 0.00 4.38 0.38 0.00 2.20 -1.26 -4.90 119.74 120.54 2k02 s LYS 62 Ca 0.00 0.70 0.05 0.00 -0.36 0.00 0.00 55.97 56.36 2k02 s LYS 62 Cb 0.00 -3.45 -0.07 0.00 -1.51 0.00 0.00 37.83 32.80 2k02 s LYS 62 CO 0.00 0.07 0.03 -1.12 -0.36 0.00 0.00 175.35 173.97 2k02 s SER 63 N 0.77 3.26 0.74 1.43 0.01 -1.26 -5.14 113.70 113.51 2k02 s SER 63 Ca 0.32 -1.39 -0.12 0.00 1.31 0.00 0.00 55.95 56.07 2k02 s SER 63 Cb -0.17 -0.21 0.04 0.00 0.21 0.00 0.00 66.02 65.90 2k02 s SER 63 CO 0.14 -0.54 1.10 0.00 0.41 0.00 0.00 173.24 174.35 2k02 h PRO 65 N -0.80 0.00 0.00 0.00 0.11 -2.00 -3.45 132.00 125.85 2k02 h PRO 65 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k02 h PRO 65 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k02 h PRO 65 CO 0.52 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.40 2k02 n GLU 66 N -3.86 0.00 0.00 1.05 4.07 -1.26 -4.26 120.64 116.38 2k02 n GLU 66 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2k02 n GLU 66 Cb 0.13 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.51 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 0.00 1.42 3.83 8.31 0.00 -1.26 -5.10 105.19 112.39 2k02 n GLY 67 Ca 0.00 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2k02 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k02 s LYS 68 N 0.00 3.30 0.00 1.61 -0.14 -1.26 -5.04 119.74 118.21 2k02 s LYS 68 Ca 0.00 -0.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 2k02 s LYS 68 Cb 0.00 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 33.09 2k02 s LYS 68 CO 0.00 0.74 1.00 0.00 -0.76 0.00 0.00 175.35 176.33 2k02 n ALA 69 N 1.87 -0.36 -1.39 5.17 0.00 -1.26 -4.99 120.51 119.54 2k02 n ALA 69 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.43 2k02 n ALA 69 Cb 0.54 0.14 -0.09 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.28 -3.66 -1.46 0.00 0.00 -1.26 -4.57 120.51 107.28 2k02 n ALA 70 Ca 0.00 0.90 -0.50 0.00 0.00 0.00 0.00 53.44 53.84 2k02 n ALA 70 Cb 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 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 6.17 0.09 -0.05 0.00 1.70 -1.26 -4.50 118.95 121.09 2k02 s ARG 72 Ca 1.09 -0.17 -0.02 0.00 -0.47 0.00 0.00 55.73 56.16 2k02 s ARG 72 Cb -0.83 0.03 0.04 0.00 -0.57 0.00 0.00 34.95 33.62 2k02 s ARG 72 CO 0.48 -0.01 0.11 1.14 -1.08 0.00 0.00 175.30 175.94 2k02 s GLN 73 N -0.40 0.05 0.47 3.89 -2.07 -0.93 -3.58 119.66 117.09 2k02 s GLN 73 Ca -0.04 0.31 0.08 0.00 -1.82 0.00 0.00 55.36 53.89 2k02 s GLN 73 Cb -0.03 -0.19 0.02 0.00 -1.09 0.00 0.00 33.01 31.72 2k02 s GLN 73 CO -0.00 -0.16 0.54 -1.83 -1.32 0.00 0.00 175.29 172.51 2k02 s GLU 74 N 1.11 2.55 0.05 9.60 -1.05 -1.26 -2.04 118.70 127.66 2k02 s GLU 74 Ca -0.09 -1.52 0.06 0.00 -0.15 0.00 0.00 54.97 53.28 2k02 s GLU 74 Cb -0.12 -2.53 -0.03 0.00 -0.44 0.00 0.00 34.13 31.01 2k02 s GLU 74 CO -0.05 -0.42 -0.15 -1.58 0.95 0.00 0.00 175.26 174.01 2k02 s TRP 75 N -2.51 2.64 -0.20 4.83 0.51 0.69 -3.60 118.94 121.30 2k02 s TRP 75 Ca 0.52 -0.20 -0.09 0.00 -2.12 0.00 0.00 56.10 54.20 2k02 s TRP 75 Cb -0.06 -1.48 -0.05 0.00 -0.81 0.00 0.00 33.47 31.08 2k02 s TRP 75 CO 0.31 0.31 0.11 -0.46 -0.51 0.00 0.00 176.95 176.71 2k02 s TRP 76 N -0.99 3.36 -0.02 -1.98 -0.00 0.10 -1.29 118.94 118.12 2k02 s TRP 76 Ca 0.16 0.25 -0.06 0.00 -0.00 0.00 0.00 56.10 56.45 2k02 s TRP 76 Cb -0.11 -2.15 0.00 0.00 -0.00 0.00 0.00 33.47 31.22 2k02 s TRP 76 CO 0.07 0.23 0.13 0.00 -0.00 0.00 0.00 176.95 177.38 2k02 s ALA 77 N 0.43 -0.30 0.40 5.86 0.00 -0.65 -0.24 121.76 127.26 2k02 s ALA 77 Ca 0.07 0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.11 2k02 s ALA 77 Cb -0.12 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.04 2k02 s ALA 77 CO -0.01 -0.15 0.43 1.28 0.00 0.00 0.00 175.76 177.31 2k02 n LEU 78 N 2.05 0.00 0.00 0.00 4.32 -1.26 -1.80 117.00 120.31 2k02 n LEU 78 Ca -0.19 -1.91 0.06 0.00 -0.02 0.00 0.00 56.01 53.95 2k02 n LEU 78 Cb 0.57 -0.16 0.34 0.00 -1.62 0.00 0.00 43.42 42.54 2k02 n LEU 78 CO 0.21 -0.57 0.55 0.54 -1.22 0.00 0.00 177.39 176.91