#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 -2.53 0.56 -5.12 0.00 -1.26 -5.17 121.76 108.23 2k02 s ALA 2 Ca 0.00 1.68 0.09 0.00 0.00 0.00 0.00 51.96 53.73 2k02 s ALA 2 Cb 0.00 -2.28 0.08 0.00 0.00 0.00 0.00 23.12 20.91 2k02 s ALA 2 CO 0.00 -1.42 0.77 0.45 0.00 0.00 0.00 175.76 175.56 2k02 s SER 3 N 2.88 5.15 0.18 0.00 0.15 -1.26 -5.00 113.70 115.80 2k02 s SER 3 Ca 0.16 -0.75 0.24 0.00 0.70 0.00 0.00 55.95 56.30 2k02 s SER 3 Cb -0.13 0.12 0.91 0.00 -1.71 0.00 0.00 66.02 65.21 2k02 s SER 3 CO -0.20 -1.28 1.73 0.00 1.20 0.00 0.00 173.24 174.69 2k02 n LEU 4 N -2.21 0.57 -0.16 3.45 -0.00 -1.26 -3.67 117.00 113.71 2k02 n LEU 4 Ca 0.14 0.60 -0.03 0.00 -0.00 0.00 0.00 56.01 56.72 2k02 n LEU 4 Cb 0.61 -0.47 0.03 0.00 -0.00 0.00 0.00 43.42 43.59 2k02 n LEU 4 CO 0.40 -0.34 0.75 -0.03 -0.00 0.00 0.00 177.39 178.17 2k02 h MET 5 N 0.00 -0.03 0.12 1.47 4.05 -1.98 0.39 114.93 118.95 2k02 h MET 5 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2k02 h MET 5 Cb 0.49 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 2k02 h MET 5 CO 0.00 -0.02 -0.30 1.49 0.23 0.00 0.00 176.91 178.30 2k02 h GLU 6 N -0.04 -0.45 -0.47 0.39 4.57 -1.99 -0.42 114.58 116.16 2k02 h GLU 6 Ca 0.24 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.59 2k02 h GLU 6 Cb 0.40 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 2k02 h GLU 6 CO -0.53 -0.30 0.37 -0.39 -1.18 0.00 0.00 179.01 176.97 2k02 h VAL 7 N -0.47 0.66 0.17 0.32 -1.51 -1.70 -1.55 116.25 112.17 2k02 h VAL 7 Ca -0.01 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.47 2k02 h VAL 7 Cb 0.46 0.74 -0.04 0.00 -2.13 0.00 0.00 31.29 30.31 2k02 h VAL 7 CO -0.13 0.00 -0.35 -0.09 -1.23 0.00 0.00 177.57 175.76 2k02 h ARG 8 N 0.00 -0.59 -0.80 5.19 2.43 0.14 -1.91 114.38 118.84 2k02 h ARG 8 Ca 0.22 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2k02 h ARG 8 Cb 0.96 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 2k02 h ARG 8 CO -0.00 -0.39 0.42 0.22 -1.51 0.00 0.00 179.97 178.70 2k02 h ASP 9 N -0.61 1.02 -0.18 -3.80 1.82 -0.67 -2.23 116.42 111.77 2k02 h ASP 9 Ca 0.02 -0.10 0.04 0.00 -0.39 0.00 0.00 57.03 56.60 2k02 h ASP 9 Cb 0.62 -0.26 -0.07 0.00 0.68 0.00 0.00 39.33 40.30 2k02 h ASP 9 CO -0.18 0.83 -0.45 0.24 -1.61 0.00 0.00 179.24 178.08 2k02 h MET 10 N 1.13 -0.47 -0.74 0.28 2.86 -0.95 -1.22 114.93 115.82 2k02 h MET 10 Ca 0.28 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.92 2k02 h MET 10 Cb 0.06 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2k02 h MET 10 CO -0.04 -0.31 0.33 -0.07 1.06 0.00 0.00 176.91 177.88 2k02 h LEU 11 N -0.48 0.98 -1.00 1.22 -0.00 -1.25 -2.65 115.31 112.13 2k02 h LEU 11 Ca 0.08 -0.13 0.20 0.00 -0.00 0.00 0.00 57.88 58.03 2k02 h LEU 11 Cb 0.63 -0.25 -0.11 0.00 -0.00 0.00 0.00 40.66 40.93 2k02 h LEU 11 CO -0.43 0.85 0.60 0.00 -0.00 0.00 0.00 178.44 179.45 2k02 h ALA 12 N 1.30 1.68 -0.03 1.53 0.00 -0.62 0.51 119.26 123.62 2k02 h ALA 12 Ca 0.25 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.28 2k02 h ALA 12 Cb 0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2k02 h ALA 12 CO -0.03 -0.10 -0.50 -0.07 0.00 0.00 0.00 179.25 178.56 2k02 h LEU 13 N 0.72 -1.54 0.00 0.00 3.38 -0.98 -3.42 115.31 113.47 2k02 h LEU 13 Ca 0.59 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.74 2k02 h LEU 13 Cb 0.96 0.59 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2k02 h LEU 13 CO -0.40 -0.50 0.00 0.00 0.09 0.00 0.00 178.44 177.63 2k02 n GLN 14 N -5.46 0.00 0.00 1.13 6.02 -0.79 -5.09 117.38 113.19 2k02 n GLN 14 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2k02 n GLN 14 Cb 0.39 -0.08 0.00 0.00 1.02 0.00 0.00 30.24 31.56 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 3.20 2.16 3.28 1.08 0.00 0.10 -5.02 105.19 110.00 2k02 n GLY 15 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 2.70 0.31 1.61 3.00 -1.26 -1.82 118.95 123.49 2k02 s ARG 16 Ca 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 55.73 54.05 2k02 s ARG 16 Cb 0.00 -3.96 0.02 0.00 0.00 0.00 0.00 34.95 31.01 2k02 s ARG 16 CO 0.00 -1.08 0.61 -1.64 0.00 0.00 0.00 175.30 173.19 2k02 s MET 17 N 1.48 1.84 0.07 3.54 -1.94 -0.76 -5.03 119.30 118.50 2k02 s MET 17 Ca 0.04 -1.33 -0.13 0.00 -1.71 0.00 0.00 55.69 52.56 2k02 s MET 17 Cb -0.25 0.54 0.02 0.00 2.01 0.00 0.00 34.83 37.14 2k02 s MET 17 CO 0.02 -0.81 0.29 -1.83 -0.01 0.00 0.00 175.02 172.68 2k02 s GLU 18 N -3.39 0.85 0.13 2.03 4.04 -1.26 -1.35 118.70 119.74 2k02 s GLU 18 Ca 0.20 -0.64 0.26 0.00 0.04 0.00 0.00 54.97 54.82 2k02 s GLU 18 Cb -0.03 0.36 0.74 0.00 0.02 0.00 0.00 34.13 35.22 2k02 s GLU 18 CO 0.11 -0.28 1.65 0.00 -1.84 0.00 0.00 175.26 174.91 2k02 n ALA 19 N 0.33 2.56 -0.14 -0.84 0.00 -1.26 -4.14 120.51 117.02 2k02 n ALA 19 Ca -0.17 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 2k02 n ALA 19 Cb 0.61 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2k02 n ALA 19 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k02 h LYS 20 N 0.00 -0.28 0.08 0.00 3.64 -1.95 0.77 116.57 118.84 2k02 h LYS 20 Ca 0.00 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2k02 h LYS 20 Cb 0.68 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2k02 h LYS 20 CO 0.00 -0.18 -0.14 1.96 -2.27 0.00 0.00 179.45 178.82 2k02 h GLN 21 N -0.29 -0.27 -0.17 1.90 1.08 -1.99 -0.88 115.11 114.50 2k02 h GLN 21 Ca 0.16 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.41 2k02 h GLN 21 Cb 0.57 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2k02 h GLN 21 CO -0.59 -0.18 0.12 -0.07 -0.95 0.00 0.00 178.83 177.16 2k02 h LEU 22 N -0.28 0.07 -0.62 1.46 4.07 -1.54 0.31 115.31 118.78 2k02 h LEU 22 Ca 0.02 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.83 2k02 h LEU 22 Cb 0.29 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2k02 h LEU 22 CO -0.08 0.05 -0.69 -1.28 -1.08 0.00 0.00 178.44 175.36 2k02 h SER 23 N 0.08 0.04 1.05 -0.43 0.87 0.14 0.20 113.55 115.50 2k02 h SER 23 Ca 0.08 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.44 2k02 h SER 23 Cb 0.20 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 2k02 h SER 23 CO -0.01 0.71 -0.99 0.00 -0.53 0.00 0.00 176.83 176.01 2k02 h ALA 24 N 1.29 0.58 0.00 6.23 0.00 0.24 0.15 119.26 127.75 2k02 h ALA 24 Ca -0.01 -0.80 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 2k02 h ALA 24 Cb 1.22 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2k02 h ALA 24 CO 0.09 1.00 -1.29 0.54 0.00 0.00 0.00 179.25 179.59 2k02 n ARG 25 N -3.17 0.62 -0.00 0.00 5.12 -0.07 -4.21 116.66 114.95 2k02 n ARG 25 Ca -0.03 0.07 0.07 0.00 -1.93 0.00 0.00 57.85 56.02 2k02 n ARG 25 Cb 0.86 -1.76 -0.10 0.00 -1.16 0.00 0.00 32.46 30.31 2k02 n ARG 25 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k02 n LEU 26 N -2.62 0.21 -2.49 0.55 4.77 0.69 -5.07 117.00 113.05 2k02 n LEU 26 Ca -0.03 -0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 55.75 2k02 n LEU 26 Cb 0.60 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2k02 n LEU 26 CO 0.42 0.05 -0.55 0.00 -1.33 0.00 0.00 177.39 175.98 2k02 n GLN 27 N -1.75 -3.78 -3.70 3.23 6.02 0.51 -5.02 117.38 112.89 2k02 n GLN 27 Ca -0.01 2.94 -0.13 0.00 -0.01 0.00 0.00 57.00 59.79 2k02 n GLN 27 Cb 0.30 -4.67 -0.09 0.00 1.02 0.00 0.00 30.24 26.81 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 -0.83 -0.00 -0.48 5.09 2.01 -1.13 -5.04 115.64 115.25 2k02 s THR 28 Ca -0.18 0.00 -0.45 0.00 0.31 0.00 0.00 61.69 61.37 2k02 s THR 28 Cb 0.01 -0.71 -0.19 0.00 0.01 0.00 0.00 72.50 71.62 2k02 s THR 28 CO 0.70 0.00 1.57 -2.65 -0.69 0.00 0.00 174.62 173.55 2k02 n PRO 29 N 2.87 0.00 -0.14 4.92 -0.02 -1.26 -4.86 135.00 136.52 2k02 n PRO 29 Ca -0.14 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.24 2k02 n PRO 29 Cb 0.56 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.58 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 5.02 0.68 0.00 -0.52 7.50 -1.94 -2.77 115.11 123.08 2k02 h GLN 30 Ca -0.41 -0.20 0.00 0.00 0.50 0.00 0.00 58.65 58.54 2k02 h GLN 30 Cb 1.33 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.79 2k02 h GLN 30 CO 0.95 0.76 0.35 -1.35 -1.50 0.00 0.00 178.83 178.04 2k02 h PRO 31 N 0.52 0.00 0.13 1.46 0.11 -1.74 0.42 132.00 132.90 2k02 h PRO 31 Ca 0.12 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.91 2k02 h PRO 31 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 2k02 h PRO 31 CO 0.01 0.00 -1.65 1.25 -0.21 0.00 0.00 178.00 177.40 2k02 h LEU 32 N 0.00 0.43 -0.23 2.35 7.12 -1.75 -3.37 115.31 119.86 2k02 h LEU 32 Ca 0.00 -0.88 0.06 0.00 0.13 0.00 0.00 57.88 57.19 2k02 h LEU 32 Cb 0.70 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.62 2k02 h LEU 32 CO 0.00 1.72 -0.33 0.40 -0.13 0.00 0.00 178.44 180.10 2k02 h ILE 33 N -0.14 0.25 -1.02 4.05 1.08 -0.80 0.17 117.51 121.10 2k02 h ILE 33 Ca -0.35 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.37 2k02 h ILE 33 Cb 1.89 0.25 -0.12 0.00 -3.07 0.00 0.00 36.82 35.78 2k02 h ILE 33 CO 0.08 0.00 0.62 -2.24 -0.69 0.00 0.00 178.15 175.92 2k02 h ASP 34 N -0.35 0.61 1.04 1.72 3.04 -1.53 0.81 116.42 121.75 2k02 h ASP 34 Ca 0.12 0.12 -0.13 0.00 -3.24 0.00 0.00 57.03 53.91 2k02 h ASP 34 Cb 0.55 0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 38.85 2k02 h ASP 34 CO -0.42 0.09 -0.60 0.00 -2.04 0.00 0.00 179.24 176.27 2k02 h ALA 35 N 1.70 0.75 0.90 4.15 0.00 -1.20 -2.08 119.26 123.48 2k02 h ALA 35 Ca 0.64 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2k02 h ALA 35 Cb 1.32 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2k02 h ALA 35 CO -0.43 0.74 -0.43 1.98 0.00 0.00 0.00 179.25 181.11 2k02 h MET 36 N 0.00 -1.17 -0.03 0.00 1.85 0.34 0.37 114.93 116.28 2k02 h MET 36 Ca -0.01 0.08 -0.00 0.00 -0.61 0.00 0.00 59.70 59.16 2k02 h MET 36 Cb 1.27 0.26 -0.00 0.00 0.43 0.00 0.00 31.60 33.57 2k02 h MET 36 CO 0.08 -0.77 0.01 -0.07 -0.40 0.00 0.00 176.91 175.75 2k02 h LEU 37 N -1.31 0.05 -1.23 3.39 3.38 -1.47 -2.47 115.31 115.66 2k02 h LEU 37 Ca -0.12 -0.21 0.15 0.00 0.09 0.00 0.00 57.88 57.79 2k02 h LEU 37 Cb 0.93 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 2k02 h LEU 37 CO 0.20 0.25 0.59 -0.08 0.09 0.00 0.00 178.44 179.50 2k02 h GLU 38 N -0.16 0.69 0.89 1.13 4.57 -1.40 -0.03 114.58 120.27 2k02 h GLU 38 Ca 0.01 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2k02 h GLU 38 Cb 0.22 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2k02 h GLU 38 CO -0.00 0.46 -0.43 -0.09 -1.18 0.00 0.00 179.01 177.77 2k02 h ARG 39 N 0.72 -1.15 -0.76 1.92 2.43 0.07 1.38 114.38 118.99 2k02 h ARG 39 Ca 0.48 0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.81 2k02 h ARG 39 Cb 0.77 0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 30.53 2k02 h ARG 39 CO -0.24 -0.76 0.50 1.98 -1.51 0.00 0.00 179.97 179.94 2k02 h MET 40 N -1.26 0.70 0.00 0.20 4.05 -1.00 -0.04 114.93 117.58 2k02 h MET 40 Ca -0.12 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2k02 h MET 40 Cb 0.92 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 2k02 h MET 40 CO 0.20 0.46 -0.29 1.49 0.23 0.00 0.00 176.91 179.00 2k02 h GLU 41 N 0.72 0.00 -1.00 0.39 4.22 -0.85 -3.33 114.58 114.73 2k02 h GLU 41 Ca 0.34 0.00 0.22 0.00 0.08 0.00 0.00 59.36 60.00 2k02 h GLU 41 Cb 0.39 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.54 2k02 h GLU 41 CO -0.12 0.02 0.61 0.00 -2.18 0.00 0.00 179.01 177.34 2k02 h ALA 42 N 1.98 1.82 0.00 2.92 0.00 0.39 0.76 119.26 127.13 2k02 h ALA 42 Ca -0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2k02 h ALA 42 Cb 1.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2k02 h ALA 42 CO 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 179.25 178.78 2k02 h MET 43 N 0.64 0.00 0.00 0.00 -0.00 -1.67 -3.46 114.93 110.43 2k02 h MET 43 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.29 2k02 h MET 43 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 2k02 h MET 43 CO -0.38 0.25 0.00 0.41 -0.00 0.00 0.00 176.91 177.18 2k02 n GLY 44 N -0.40 0.63 0.00 -3.00 0.00 0.26 -5.11 105.19 97.57 2k02 n GLY 44 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.11 -5.04 118.16 118.38 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 -0.80 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 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 -0.45 0.00 -3.82 -0.18 0.31 -1.26 -4.99 118.33 107.94 2k02 n VAL 46 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2k02 n VAL 46 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 2k02 n VAL 46 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k02 s VAL 47 N 0.00 -0.00 0.18 2.52 1.01 -0.78 -5.05 120.40 118.28 2k02 s VAL 47 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2k02 s VAL 47 Cb 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 2k02 s VAL 47 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 175.10 175.05 2k02 s ARG 48 N 0.12 1.16 -0.19 2.72 1.04 -1.26 -1.66 118.95 120.88 2k02 s ARG 48 Ca -0.00 -1.54 -0.04 0.00 -1.04 0.00 0.00 55.73 53.11 2k02 s ARG 48 Cb -0.01 -0.57 0.09 0.00 -2.04 0.00 0.00 34.95 32.42 2k02 s ARG 48 CO -0.00 -0.01 0.23 0.42 -0.04 0.00 0.00 175.30 175.89 2k02 s ILE 49 N -3.40 -0.33 -0.30 4.99 1.01 -0.50 -4.92 121.20 117.74 2k02 s ILE 49 Ca 0.22 -0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.62 2k02 s ILE 49 Cb 0.04 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 2k02 s ILE 49 CO 0.04 -0.17 0.48 -0.55 0.00 0.00 0.00 174.94 174.74 2k02 s SER 50 N 2.34 6.35 0.18 3.58 0.15 -1.26 0.13 113.70 125.16 2k02 s SER 50 Ca 0.07 0.25 0.10 0.00 0.70 0.00 0.00 55.95 57.07 2k02 s SER 50 Cb -0.15 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2k02 s SER 50 CO -0.12 -0.35 -0.22 -0.70 1.20 0.00 0.00 173.24 173.06 2k02 s GLU 51 N 2.29 1.43 0.55 5.44 2.56 -0.79 -4.93 118.70 125.24 2k02 s GLU 51 Ca 0.19 -1.47 -0.02 0.00 0.00 0.00 0.00 54.97 53.66 2k02 s GLU 51 Cb -0.16 -1.67 0.02 0.00 2.00 0.00 0.00 34.13 34.32 2k02 s GLU 51 CO 0.11 0.36 0.81 0.95 -0.56 0.00 0.00 175.26 176.92 2k02 s THR 52 N -1.76 3.35 -0.60 -1.70 -4.23 -1.26 -2.21 115.64 107.23 2k02 s THR 52 Ca 0.19 -0.37 -0.22 0.00 -1.18 0.00 0.00 61.69 60.11 2k02 s THR 52 Cb -0.07 -3.29 0.06 0.00 1.34 0.00 0.00 72.50 70.54 2k02 s THR 52 CO 0.09 -0.25 0.89 -0.55 -0.54 0.00 0.00 174.62 174.26 2k02 s SER 53 N -4.33 6.23 -0.03 3.99 0.15 -1.25 -4.90 113.70 113.55 2k02 s SER 53 Ca 0.54 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2k02 s SER 53 Cb -0.10 -2.40 0.03 0.00 -1.71 0.00 0.00 66.02 61.83 2k02 s SER 53 CO 0.41 -1.28 -0.01 -1.83 1.20 0.00 0.00 173.24 171.73 2k02 s GLU 54 N 3.75 0.40 -0.68 5.44 1.03 -1.26 -5.10 118.70 122.28 2k02 s GLU 54 Ca 0.23 0.05 -0.04 0.00 0.03 0.00 0.00 54.97 55.23 2k02 s GLU 54 Cb -0.16 -0.56 0.17 0.00 -0.80 0.00 0.00 34.13 32.78 2k02 s GLU 54 CO 0.13 -0.13 0.51 0.20 -1.33 0.00 0.00 175.26 174.64 2k02 s GLY 55 N 1.04 2.58 0.00 -3.83 0.00 -1.26 -4.90 107.32 100.95 2k02 s GLY 55 Ca -0.09 -3.33 0.00 0.00 0.00 0.00 0.00 44.72 41.30 2k02 s GLY 55 CO -0.01 1.13 0.00 0.00 0.00 0.00 0.00 173.10 174.22 2k02 s LEU 57 N 0.00 4.36 -0.15 0.00 2.96 -1.26 -4.89 118.68 119.70 2k02 s LEU 57 Ca 0.00 2.43 0.14 0.00 -0.22 0.00 0.00 54.13 56.49 2k02 s LEU 57 Cb 0.00 -3.56 0.36 0.00 0.50 0.00 0.00 46.19 43.49 2k02 s LEU 57 CO 0.00 -0.86 1.18 -1.54 -1.32 0.00 0.00 176.35 173.81 2k02 n SER 58 N 5.49 1.65 -2.51 3.68 3.41 -1.26 -4.87 113.62 119.20 2k02 n SER 58 Ca 0.15 -3.31 -0.23 0.00 -0.26 0.00 0.00 58.87 55.22 2k02 n SER 58 Cb 0.41 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 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 -0.89 3.76 3.26 5.00 0.00 -1.26 -4.86 105.19 110.19 2k02 n GLY 59 Ca 0.15 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 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 1.52 1.82 0.17 1.61 1.04 -1.26 -5.05 113.70 113.55 2k02 s SER 60 Ca 0.65 -1.04 -0.16 0.00 0.48 0.00 0.00 55.95 55.88 2k02 s SER 60 Cb 0.29 -0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.51 2k02 s SER 60 CO -0.07 -0.35 1.69 0.00 0.98 0.00 0.00 173.24 175.49 2k02 n LYS 62 N -5.23 0.00 -1.55 0.00 4.81 -1.26 -4.77 118.16 110.15 2k02 n LYS 62 Ca 0.03 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 57.01 2k02 n LYS 62 Cb 0.22 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.22 2k02 n LYS 62 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2k02 n SER 63 N 1.56 2.90 -4.10 3.14 3.41 -1.26 -4.94 113.62 114.33 2k02 n SER 63 Ca 0.00 0.33 -0.14 0.00 -0.26 0.00 0.00 58.87 58.80 2k02 n SER 63 Cb 0.00 -1.45 -0.11 0.00 -0.26 0.00 0.00 64.21 62.39 2k02 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k02 h PRO 65 N 4.27 0.01 0.00 0.00 0.13 -2.03 -3.42 132.00 130.95 2k02 h PRO 65 Ca -0.37 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2k02 h PRO 65 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k02 h PRO 65 CO 0.43 0.76 0.00 -1.91 -0.23 0.00 0.00 178.00 177.05 2k02 n GLU 66 N -3.65 0.00 -1.10 0.86 4.07 -1.26 -5.12 120.64 114.45 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 0.73 -0.26 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 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 2.61 -0.14 3.66 8.31 0.00 -1.26 -4.86 105.19 113.51 2k02 n GLY 67 Ca 0.00 -0.30 -0.52 0.00 0.00 0.00 0.00 46.02 45.20 2k02 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k02 n LYS 68 N -0.56 1.70 -1.67 1.61 5.02 -1.26 -0.25 118.16 122.75 2k02 n LYS 68 Ca 0.00 0.60 -0.16 0.00 -2.02 0.00 0.00 58.31 56.73 2k02 n LYS 68 Cb 0.20 -2.46 -0.06 0.00 -0.02 0.00 0.00 35.03 32.69 2k02 n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k02 n ALA 69 N 6.83 -0.34 -1.68 7.82 0.00 -1.26 -4.86 120.51 127.02 2k02 n ALA 69 Ca 0.27 0.24 -0.46 0.00 0.00 0.00 0.00 53.44 53.48 2k02 n ALA 69 Cb 0.24 -1.70 -0.04 0.00 0.00 0.00 0.00 19.45 17.95 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 0.24 1.35 -2.63 0.00 0.00 0.66 -4.92 120.51 115.21 2k02 n ALA 70 Ca -0.17 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 2k02 n ALA 70 Cb 0.56 -2.49 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 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 2.61 0.51 -0.12 0.00 1.70 -1.26 -3.83 118.95 118.57 2k02 s ARG 72 Ca 0.29 -0.51 -0.08 0.00 -0.47 0.00 0.00 55.73 54.96 2k02 s ARG 72 Cb -0.15 0.21 0.04 0.00 -0.57 0.00 0.00 34.95 34.47 2k02 s ARG 72 CO 0.08 -0.12 0.29 1.14 -1.08 0.00 0.00 175.30 175.61 2k02 s GLN 73 N -1.74 0.30 0.56 3.89 -2.07 -0.94 -3.40 119.66 116.26 2k02 s GLN 73 Ca -0.12 0.50 0.07 0.00 -1.82 0.00 0.00 55.36 53.98 2k02 s GLN 73 Cb -0.06 0.04 0.07 0.00 -1.09 0.00 0.00 33.01 31.97 2k02 s GLN 73 CO -0.00 -0.10 0.57 -0.85 -1.32 0.00 0.00 175.29 173.59 2k02 n GLU 74 N 3.55 0.65 -5.28 9.60 0.28 -1.26 -1.89 120.64 126.29 2k02 n GLU 74 Ca -0.18 -3.32 -0.31 0.00 -0.16 0.00 0.00 57.16 53.18 2k02 n GLU 74 Cb 0.56 0.12 -0.16 0.00 1.43 0.00 0.00 31.44 33.39 2k02 n GLU 74 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 2k02 s TRP 75 N -2.69 2.31 -0.25 -1.84 -0.11 0.34 -4.29 118.94 112.41 2k02 s TRP 75 Ca 0.43 -0.44 -0.05 0.00 1.22 0.00 0.00 56.10 57.27 2k02 s TRP 75 Cb -0.03 -1.48 -0.00 0.00 -1.50 0.00 0.00 33.47 30.45 2k02 s TRP 75 CO 0.28 -0.03 0.01 -0.46 -4.62 0.00 0.00 176.95 172.13 2k02 s TRP 76 N -0.62 3.05 -0.01 5.86 -0.00 -0.46 -1.41 118.94 125.35 2k02 s TRP 76 Ca 0.10 -0.95 0.02 0.00 -0.00 0.00 0.00 56.10 55.27 2k02 s TRP 76 Cb -0.10 -2.17 -0.00 0.00 -0.00 0.00 0.00 33.47 31.20 2k02 s TRP 76 CO -0.01 -0.55 -0.07 0.00 -0.00 0.00 0.00 176.95 176.33 2k02 s ALA 77 N 1.49 0.58 0.57 5.86 0.00 -0.66 -1.83 121.76 127.77 2k02 s ALA 77 Ca 0.04 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.80 2k02 s ALA 77 Cb -0.16 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.84 2k02 s ALA 77 CO -0.01 0.12 0.47 -0.51 0.00 0.00 0.00 175.76 175.84 2k02 s LEU 78 N -0.02 2.67 0.00 0.00 1.02 -0.75 -1.86 118.68 119.73 2k02 s LEU 78 Ca 0.01 -1.25 0.07 0.00 0.02 0.00 0.00 54.13 52.97 2k02 s LEU 78 Cb -0.04 -1.15 0.05 0.00 0.02 0.00 0.00 46.19 45.07 2k02 s LEU 78 CO -0.00 -1.21 0.71 -1.14 0.02 0.00 0.00 176.35 174.73