#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 3.55 0.19 -5.12 0.00 -1.26 -5.08 121.76 114.04 2k02 s ALA 2 Ca 0.00 -0.45 0.10 0.00 0.00 0.00 0.00 51.96 51.61 2k02 s ALA 2 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2k02 s ALA 2 CO 0.00 -0.19 -0.17 -1.12 0.00 0.00 0.00 175.76 174.28 2k02 s SER 3 N 0.88 3.83 0.23 0.00 0.01 -1.26 -5.01 113.70 112.38 2k02 s SER 3 Ca 0.20 -0.74 0.19 0.00 1.31 0.00 0.00 55.95 56.91 2k02 s SER 3 Cb -0.14 -0.48 0.91 0.00 0.21 0.00 0.00 66.02 66.52 2k02 s SER 3 CO 0.08 0.11 1.58 0.00 0.41 0.00 0.00 173.24 175.42 2k02 n LEU 4 N 0.11 0.48 0.01 2.44 -0.00 -1.26 -2.14 117.00 116.65 2k02 n LEU 4 Ca -0.11 0.67 -0.01 0.00 -0.00 0.00 0.00 56.01 56.56 2k02 n LEU 4 Cb 0.56 -0.67 0.28 0.00 -0.00 0.00 0.00 43.42 43.59 2k02 n LEU 4 CO 0.32 -0.69 0.88 0.24 -0.00 0.00 0.00 177.39 178.14 2k02 h MET 5 N 0.00 0.49 0.65 1.47 2.86 -1.97 0.12 114.93 118.54 2k02 h MET 5 Ca 0.00 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2k02 h MET 5 Cb 0.16 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.76 2k02 h MET 5 CO 0.00 0.58 -0.32 0.93 1.06 0.00 0.00 176.91 179.16 2k02 h GLU 6 N 0.46 -0.85 -0.01 1.72 5.08 -1.86 -1.76 114.58 117.36 2k02 h GLU 6 Ca 0.09 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2k02 h GLU 6 Cb 0.42 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k02 h GLU 6 CO 0.02 -0.57 -0.03 0.28 -1.00 0.00 0.00 179.01 177.72 2k02 h VAL 7 N -0.88 1.02 -0.59 3.13 2.07 -1.72 -1.91 116.25 117.38 2k02 h VAL 7 Ca -0.09 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2k02 h VAL 7 Cb 0.68 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 2k02 h VAL 7 CO 0.14 0.03 0.31 -0.09 0.02 0.00 0.00 177.57 177.98 2k02 h ARG 8 N 0.01 0.57 -0.34 1.57 2.43 -0.67 -1.75 114.38 116.20 2k02 h ARG 8 Ca 0.00 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 2k02 h ARG 8 Cb 0.05 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2k02 h ARG 8 CO 0.00 0.37 -0.45 0.22 -1.51 0.00 0.00 179.97 178.61 2k02 h ASP 9 N 0.58 0.98 -0.24 -3.80 1.82 -0.55 -1.47 116.42 113.75 2k02 h ASP 9 Ca 0.26 -0.50 0.06 0.00 -0.39 0.00 0.00 57.03 56.47 2k02 h ASP 9 Cb 0.17 -0.28 -0.07 0.00 0.68 0.00 0.00 39.33 39.83 2k02 h ASP 9 CO -0.18 1.28 -0.28 0.24 -1.61 0.00 0.00 179.24 178.69 2k02 h MET 10 N 0.70 -0.28 0.00 0.28 2.86 -0.93 -0.55 114.93 117.01 2k02 h MET 10 Ca 0.04 0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 2k02 h MET 10 Cb 1.05 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2k02 h MET 10 CO 0.11 -0.19 -0.50 -0.07 1.06 0.00 0.00 176.91 177.32 2k02 h LEU 11 N -0.29 0.00 -1.63 1.22 -0.00 -1.36 -1.43 115.31 111.82 2k02 h LEU 11 Ca 0.13 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 58.05 2k02 h LEU 11 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 2k02 h LEU 11 CO -0.41 0.50 0.31 0.00 -0.00 0.00 0.00 178.44 178.84 2k02 h ALA 12 N 1.50 1.83 0.03 1.53 0.00 -0.01 -0.74 119.26 123.41 2k02 h ALA 12 Ca -0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 2k02 h ALA 12 Cb 0.92 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2k02 h ALA 12 CO 0.06 0.11 -1.91 1.28 0.00 0.00 0.00 179.25 178.80 2k02 n LEU 13 N -4.48 2.25 0.00 0.00 4.77 -0.65 -4.84 117.00 114.05 2k02 n LEU 13 Ca 0.05 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2k02 n LEU 13 Cb 0.17 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2k02 n LEU 13 CO 0.35 0.59 0.00 0.00 -1.33 0.00 0.00 177.39 177.00 2k02 n GLN 14 N -3.97 0.00 0.00 3.23 6.02 -0.55 -5.13 117.38 116.97 2k02 n GLN 14 Ca -0.39 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 2k02 n GLN 14 Cb 0.87 -0.35 0.00 0.00 1.02 0.00 0.00 30.24 31.78 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 2.16 2.43 2.82 1.08 0.00 -0.29 -4.97 105.19 108.41 2k02 n GLY 15 Ca 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 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 1.43 -2.88 -3.83 1.61 3.00 -1.23 -4.97 116.66 109.79 2k02 n ARG 16 Ca 0.00 2.40 -0.07 0.00 -0.01 0.00 0.00 57.85 60.17 2k02 n ARG 16 Cb 0.00 -4.63 0.01 0.00 0.00 0.00 0.00 32.46 27.83 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 -1.61 1.88 0.16 5.56 -1.94 0.83 -4.99 119.30 119.19 2k02 s MET 17 Ca 0.02 -1.16 0.09 0.00 -1.71 0.00 0.00 55.69 52.94 2k02 s MET 17 Cb -0.01 0.56 -0.04 0.00 2.01 0.00 0.00 34.83 37.35 2k02 s MET 17 CO 0.66 -0.88 -0.14 -1.83 -0.01 0.00 0.00 175.02 172.82 2k02 s GLU 18 N -2.78 1.90 0.16 2.03 1.03 -1.26 0.14 118.70 119.92 2k02 s GLU 18 Ca 0.15 -1.26 0.26 0.00 0.03 0.00 0.00 54.97 54.15 2k02 s GLU 18 Cb -0.05 -2.11 0.77 0.00 -0.80 0.00 0.00 34.13 31.94 2k02 s GLU 18 CO 0.08 0.45 1.70 0.00 -1.33 0.00 0.00 175.26 176.16 2k02 n ALA 19 N 0.35 2.45 -0.07 -0.84 0.00 -1.16 -3.78 120.51 117.46 2k02 n ALA 19 Ca -0.13 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 2k02 n ALA 19 Cb 0.54 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2k02 n ALA 19 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2k02 h LYS 20 N 0.00 0.40 0.48 0.00 2.10 -1.92 0.15 116.57 117.78 2k02 h LYS 20 Ca 0.00 -0.16 -0.02 0.00 -2.00 0.00 0.00 60.65 58.47 2k02 h LYS 20 Cb 0.70 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 2k02 h LYS 20 CO 0.00 0.65 -0.23 1.96 -2.00 0.00 0.00 179.45 179.83 2k02 h GLN 21 N 0.13 -0.62 -0.78 0.07 1.08 -1.96 0.45 115.11 113.47 2k02 h GLN 21 Ca 0.05 0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2k02 h GLN 21 Cb 0.51 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.04 2k02 h GLN 21 CO 0.02 -0.38 0.35 -0.07 -0.95 0.00 0.00 178.83 177.80 2k02 h LEU 22 N -0.71 1.04 -0.54 1.46 3.38 -1.67 0.86 115.31 119.13 2k02 h LEU 22 Ca -0.07 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 2k02 h LEU 22 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2k02 h LEU 22 CO 0.11 0.89 -0.24 0.77 0.09 0.00 0.00 178.44 180.06 2k02 h SER 23 N 1.12 0.96 1.21 -0.43 4.64 -0.57 -3.04 113.55 117.44 2k02 h SER 23 Ca 0.27 -0.37 -0.16 0.00 -0.47 0.00 0.00 61.79 61.06 2k02 h SER 23 Cb 0.15 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2k02 h SER 23 CO -0.03 1.15 -0.80 0.00 -0.87 0.00 0.00 176.83 176.27 2k02 h ALA 24 N 0.92 0.53 0.00 5.18 0.00 0.26 -0.04 119.26 126.11 2k02 h ALA 24 Ca 0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2k02 h ALA 24 Cb 0.81 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k02 h ALA 24 CO 0.07 0.95 -0.08 -0.09 0.00 0.00 0.00 179.25 180.10 2k02 h ARG 25 N 0.00 0.00 0.00 0.00 2.43 0.86 -2.75 114.38 114.92 2k02 h ARG 25 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2k02 h ARG 25 Cb 1.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 2k02 h ARG 25 CO 0.09 0.08 -0.06 1.28 -1.51 0.00 0.00 179.97 179.85 2k02 n LEU 26 N -3.94 1.52 -2.46 3.80 4.77 -1.18 -5.08 117.00 114.43 2k02 n LEU 26 Ca -0.02 -1.87 -0.02 0.00 -0.03 0.00 0.00 56.01 54.07 2k02 n LEU 26 Cb 0.17 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2k02 n LEU 26 CO 0.31 0.45 -0.48 0.00 -1.33 0.00 0.00 177.39 176.34 2k02 n GLN 27 N -0.64 -4.23 -3.73 3.23 1.13 -0.38 -5.06 117.38 107.69 2k02 n GLN 27 Ca 0.05 3.13 -0.13 0.00 -1.94 0.00 0.00 57.00 58.11 2k02 n GLN 27 Cb 0.47 -4.17 -0.10 0.00 0.11 0.00 0.00 30.24 26.54 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 -0.52 -0.00 -0.52 5.09 2.01 -0.17 -4.95 115.64 116.57 2k02 s THR 28 Ca -0.10 0.01 -0.39 0.00 0.31 0.00 0.00 61.69 61.52 2k02 s THR 28 Cb 0.01 -0.55 -0.17 0.00 0.01 0.00 0.00 72.50 71.80 2k02 s THR 28 CO 0.28 0.01 2.24 -2.65 -0.69 0.00 0.00 174.62 173.81 2k02 n PRO 29 N 3.07 0.37 -0.22 4.92 -0.02 -1.26 -4.78 135.00 137.08 2k02 n PRO 29 Ca -0.15 0.09 -0.04 0.00 -2.02 0.00 0.00 63.50 61.39 2k02 n PRO 29 Cb 0.57 -1.87 0.07 0.00 -0.02 0.00 0.00 33.50 32.25 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 10.84 0.69 -0.63 -0.52 4.20 -1.95 -1.96 115.11 125.78 2k02 h GLN 30 Ca -0.15 -0.04 0.18 0.00 0.06 0.00 0.00 58.65 58.70 2k02 h GLN 30 Cb 1.37 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 2k02 h GLN 30 CO 1.11 0.46 0.62 -1.35 -0.67 0.00 0.00 178.83 179.00 2k02 h PRO 31 N 0.71 0.00 0.18 1.46 0.11 -1.78 0.74 132.00 133.43 2k02 h PRO 31 Ca 0.26 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 66.04 2k02 h PRO 31 Cb 0.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.20 2k02 h PRO 31 CO -0.13 0.00 -1.60 1.25 -0.21 0.00 0.00 178.00 177.31 2k02 h LEU 32 N 0.00 0.59 -0.52 2.35 7.12 -1.68 -3.37 115.31 119.80 2k02 h LEU 32 Ca 0.30 -0.92 0.10 0.00 0.13 0.00 0.00 57.88 57.49 2k02 h LEU 32 Cb 1.53 -0.19 -0.11 0.00 -0.53 0.00 0.00 40.66 41.36 2k02 h LEU 32 CO -0.00 1.73 -0.26 0.40 -0.13 0.00 0.00 178.44 180.18 2k02 h ILE 33 N -0.00 0.29 -1.04 4.05 1.08 -0.60 0.30 117.51 121.58 2k02 h ILE 33 Ca -0.32 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.42 2k02 h ILE 33 Cb 2.01 0.29 -0.10 0.00 -3.07 0.00 0.00 36.82 35.95 2k02 h ILE 33 CO 0.16 0.00 0.67 -0.78 -0.69 0.00 0.00 178.15 177.51 2k02 h ASP 34 N -0.13 0.46 1.35 1.72 1.82 -1.48 0.85 116.42 121.01 2k02 h ASP 34 Ca 0.23 0.09 -0.11 0.00 -0.39 0.00 0.00 57.03 56.85 2k02 h ASP 34 Cb 0.50 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.51 2k02 h ASP 34 CO -0.60 0.09 -0.52 0.00 -1.61 0.00 0.00 179.24 176.60 2k02 h ALA 35 N 1.63 0.70 0.29 -0.78 0.00 -0.66 -2.12 119.26 118.32 2k02 h ALA 35 Ca 0.60 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2k02 h ALA 35 Cb 1.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2k02 h ALA 35 CO -0.31 0.65 -0.14 1.98 0.00 0.00 0.00 179.25 181.43 2k02 h MET 36 N 0.00 -0.38 -0.04 0.00 1.85 0.26 0.18 114.93 116.81 2k02 h MET 36 Ca -0.01 0.03 -0.13 0.00 -0.61 0.00 0.00 59.70 58.98 2k02 h MET 36 Cb 1.33 0.09 0.01 0.00 0.43 0.00 0.00 31.60 33.46 2k02 h MET 36 CO 0.07 -0.14 -0.50 -0.07 -0.40 0.00 0.00 176.91 175.86 2k02 h LEU 37 N -0.56 0.50 -0.76 3.39 4.07 -1.53 -1.99 115.31 118.44 2k02 h LEU 37 Ca -0.04 -0.72 0.03 0.00 0.08 0.00 0.00 57.88 57.23 2k02 h LEU 37 Cb 0.41 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 2k02 h LEU 37 CO 0.07 1.15 0.48 -0.08 -1.08 0.00 0.00 178.44 178.98 2k02 h GLU 38 N -0.10 0.93 -0.31 1.13 4.81 -1.43 -2.37 114.58 117.24 2k02 h GLU 38 Ca -0.05 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 2k02 h GLU 38 Cb 1.19 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 2k02 h GLU 38 CO 0.10 0.61 -0.35 -0.09 -0.73 0.00 0.00 179.01 178.56 2k02 h ARG 39 N 0.95 0.78 -0.13 1.92 2.43 -0.69 -0.20 114.38 119.45 2k02 h ARG 39 Ca 0.30 -0.43 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2k02 h ARG 39 Cb -0.01 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 2k02 h ARG 39 CO -0.10 1.06 -0.34 1.98 -1.51 0.00 0.00 179.97 181.06 2k02 h MET 40 N 0.55 -0.40 0.00 0.20 4.05 -0.97 -0.94 114.93 117.42 2k02 h MET 40 Ca 0.04 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2k02 h MET 40 Cb 0.93 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.82 2k02 h MET 40 CO 0.08 -0.27 -0.06 1.49 0.23 0.00 0.00 176.91 178.39 2k02 h GLU 41 N -0.42 0.00 -0.46 0.39 4.81 -1.48 -3.18 114.58 114.24 2k02 h GLU 41 Ca 0.09 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.45 2k02 h GLU 41 Cb 0.56 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2k02 h GLU 41 CO -0.36 0.06 0.54 0.00 -0.73 0.00 0.00 179.01 178.52 2k02 h ALA 42 N 1.94 2.17 0.00 2.92 0.00 0.42 0.44 119.26 127.15 2k02 h ALA 42 Ca -0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2k02 h ALA 42 Cb 0.83 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2k02 h ALA 42 CO 0.01 -0.78 -1.96 -1.33 0.00 0.00 0.00 179.25 175.20 2k02 n MET 43 N -3.58 0.66 0.00 0.00 2.81 -1.20 -5.02 117.12 110.79 2k02 n MET 43 Ca 0.09 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2k02 n MET 43 Cb 0.72 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 2k02 n MET 43 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k02 n GLY 44 N 1.40 0.91 0.00 3.03 0.00 0.15 -5.14 105.19 105.54 2k02 n GLY 44 Ca -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2k02 n GLY 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k02 n LYS 45 N 0.00 0.00 0.00 1.61 3.00 -1.25 -4.95 118.16 116.57 2k02 n LYS 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2k02 n LYS 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2k02 n LYS 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2k02 n VAL 46 N -0.36 0.00 -3.86 3.15 0.31 -1.26 -5.05 118.33 111.26 2k02 n VAL 46 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2k02 n VAL 46 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 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 0.08 0.15 2.52 1.01 -0.42 -5.02 120.40 118.72 2k02 s VAL 47 Ca 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 2k02 s VAL 47 Cb 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.97 2k02 s VAL 47 CO 0.00 -0.34 0.41 0.00 0.00 0.00 0.00 175.10 175.17 2k02 s ARG 48 N -1.28 1.17 -0.22 2.72 1.04 -1.26 -0.81 118.95 120.32 2k02 s ARG 48 Ca -0.14 -0.85 -0.02 0.00 -1.04 0.00 0.00 55.73 53.68 2k02 s ARG 48 Cb -0.07 0.46 0.07 0.00 -2.04 0.00 0.00 34.95 33.37 2k02 s ARG 48 CO 0.02 -0.47 0.04 0.42 -0.04 0.00 0.00 175.30 175.27 2k02 s ILE 49 N -3.86 0.65 -0.44 4.99 1.01 -0.71 -4.83 121.20 118.01 2k02 s ILE 49 Ca 0.07 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 2k02 s ILE 49 Cb 0.01 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.29 2k02 s ILE 49 CO -0.07 -0.30 1.30 -0.94 0.00 0.00 0.00 174.94 174.93 2k02 s SER 50 N 1.78 6.46 -0.04 3.58 1.04 -1.26 0.14 113.70 125.40 2k02 s SER 50 Ca 0.01 0.68 0.06 0.00 0.48 0.00 0.00 55.95 57.18 2k02 s SER 50 Cb -0.17 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 2k02 s SER 50 CO -0.12 -1.36 -0.23 -0.70 0.98 0.00 0.00 173.24 171.82 2k02 s GLU 51 N 4.74 2.33 0.37 4.02 2.12 -0.37 -4.94 118.70 126.97 2k02 s GLU 51 Ca 0.56 -0.86 0.08 0.00 0.36 0.00 0.00 54.97 55.11 2k02 s GLU 51 Cb -0.11 -2.16 -0.06 0.00 0.26 0.00 0.00 34.13 32.06 2k02 s GLU 51 CO 0.32 0.53 0.03 -0.08 -0.54 0.00 0.00 175.26 175.52 2k02 s THR 52 N -0.52 2.35 -0.28 -1.70 -1.32 -1.26 -1.80 115.64 111.10 2k02 s THR 52 Ca 0.07 -1.95 -0.16 0.00 -1.21 0.00 0.00 61.69 58.43 2k02 s THR 52 Cb -0.11 -2.87 0.10 0.00 -1.51 0.00 0.00 72.50 68.12 2k02 s THR 52 CO 0.00 -0.11 0.79 -0.55 -2.21 0.00 0.00 174.62 172.55 2k02 s SER 53 N -3.74 -0.79 0.00 8.08 0.15 -1.26 -5.01 113.70 111.13 2k02 s SER 53 Ca 0.36 1.26 0.02 0.00 0.70 0.00 0.00 55.95 58.29 2k02 s SER 53 Cb 0.04 1.32 0.03 0.00 -1.71 0.00 0.00 66.02 65.70 2k02 s SER 53 CO 0.19 -0.20 0.80 -1.84 1.20 0.00 0.00 173.24 173.39 2k02 n GLU 54 N 4.08 0.00 0.00 5.44 0.28 -1.26 -4.81 120.64 124.37 2k02 n GLU 54 Ca -0.19 -0.64 0.00 0.00 -0.16 0.00 0.00 57.16 56.16 2k02 n GLU 54 Cb 0.58 0.21 0.00 0.00 1.43 0.00 0.00 31.44 33.66 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 0.03 1.40 2.83 -1.84 0.00 -1.26 -5.13 105.19 101.22 2k02 n GLY 55 Ca -0.13 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.68 0.11 0.00 1.43 -1.26 -5.03 118.68 117.61 2k02 s LEU 57 Ca 0.59 -0.41 0.16 0.00 -1.03 0.00 0.00 54.13 53.43 2k02 s LEU 57 Cb -0.09 -2.62 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 2k02 s LEU 57 CO 0.48 -0.71 0.98 0.77 0.23 0.00 0.00 176.35 178.10 2k02 h SER 58 N 0.70 0.00 -0.86 2.29 4.64 -1.97 -3.34 113.55 115.01 2k02 h SER 58 Ca -0.41 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.02 2k02 h SER 58 Cb 1.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 2k02 h SER 58 CO 0.47 0.57 0.56 1.23 -0.87 0.00 0.00 176.83 178.79 2k02 h GLY 59 N 3.65 1.19 -1.51 -0.77 0.00 -2.03 -3.42 103.07 100.17 2k02 h GLY 59 Ca -0.12 -0.33 -0.48 0.00 0.00 0.00 0.00 47.33 46.40 2k02 h GLY 59 CO 0.05 0.16 0.20 -0.56 0.00 0.00 0.00 176.54 176.40 2k02 s SER 60 N -5.91 5.56 -0.10 0.19 0.01 -1.26 -5.04 113.70 107.15 2k02 s SER 60 Ca -0.10 0.75 -0.07 0.00 1.31 0.00 0.00 55.95 57.84 2k02 s SER 60 Cb 0.21 -1.71 -0.05 0.00 0.21 0.00 0.00 66.02 64.68 2k02 s SER 60 CO 0.79 -1.11 -0.16 0.00 0.41 0.00 0.00 173.24 173.17 2k02 n LYS 62 N -3.70 1.18 0.00 0.00 5.02 -1.26 -4.94 118.16 114.46 2k02 n LYS 62 Ca -0.19 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 2k02 n LYS 62 Cb 0.53 0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.96 2k02 n LYS 62 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k02 n SER 63 N -1.49 0.00 -4.85 4.39 2.88 -1.26 -5.12 113.62 108.18 2k02 n SER 63 Ca -0.08 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.15 2k02 n SER 63 Cb 0.37 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.81 2k02 n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k02 h PRO 65 N 0.41 0.01 0.00 0.00 0.11 -2.03 -3.38 132.00 127.13 2k02 h PRO 65 Ca -0.46 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 2k02 h PRO 65 Cb 1.19 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2k02 h PRO 65 CO 0.61 0.01 -1.34 -1.91 -0.21 0.00 0.00 178.00 175.16 2k02 n GLU 66 N -5.12 0.41 0.00 1.05 2.13 -1.26 -5.09 120.64 112.76 2k02 n GLU 66 Ca -0.05 0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2k02 n GLU 66 Cb 0.06 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 1.87 0.60 3.79 8.31 0.00 -1.26 -5.10 105.19 113.40 2k02 n GLY 67 Ca -0.23 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 2k02 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k02 s LYS 68 N -0.41 4.44 0.15 1.61 -2.85 -1.26 -5.05 119.74 116.37 2k02 s LYS 68 Ca 0.00 1.02 -0.24 0.00 -1.00 0.00 0.00 55.97 55.74 2k02 s LYS 68 Cb 0.00 -3.20 0.07 0.00 -2.06 0.00 0.00 37.83 32.65 2k02 s LYS 68 CO 0.00 0.56 1.03 0.00 0.10 0.00 0.00 175.35 177.04 2k02 s ALA 69 N -1.20 -1.70 -0.05 0.59 0.00 -1.26 -5.04 121.76 113.10 2k02 s ALA 69 Ca 0.35 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 2k02 s ALA 69 Cb -0.21 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 2k02 s ALA 69 CO 0.24 -1.05 -0.12 0.00 0.00 0.00 0.00 175.76 174.82 2k02 n ALA 70 N -0.56 2.31 -3.13 0.00 0.00 -1.26 -4.87 120.51 113.01 2k02 n ALA 70 Ca -0.05 -0.34 -0.45 0.00 0.00 0.00 0.00 53.44 52.60 2k02 n ALA 70 Cb 0.60 0.28 -0.01 0.00 0.00 0.00 0.00 19.45 20.32 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 0.80 3.68 -0.22 0.00 0.52 -1.26 -4.47 118.95 118.01 2k02 s ARG 72 Ca 0.32 0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 55.71 2k02 s ARG 72 Cb -0.07 -2.49 0.11 0.00 0.52 0.00 0.00 34.95 33.02 2k02 s ARG 72 CO -0.06 0.04 0.41 1.14 0.02 0.00 0.00 175.30 176.84 2k02 s GLN 73 N -3.88 0.34 0.00 3.54 -2.07 -0.75 -3.21 119.66 113.64 2k02 s GLN 73 Ca 0.48 0.83 0.00 0.00 -1.82 0.00 0.00 55.36 54.84 2k02 s GLN 73 Cb -0.10 0.00 0.00 0.00 -1.09 0.00 0.00 33.01 31.82 2k02 s GLN 73 CO 0.33 -0.42 0.00 0.39 -1.32 0.00 0.00 175.29 174.26 2k02 n GLU 74 N 5.38 0.72 -4.44 9.60 -0.58 -1.26 -1.24 120.64 128.83 2k02 n GLU 74 Ca -0.06 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.44 2k02 n GLU 74 Cb 0.50 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.23 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 0.40 1.66 -0.29 -0.32 -0.11 0.37 -2.99 118.94 117.65 2k02 s TRP 75 Ca 0.00 -0.39 -0.03 0.00 1.22 0.00 0.00 56.10 56.90 2k02 s TRP 75 Cb 0.00 -0.96 0.04 0.00 -1.50 0.00 0.00 33.47 31.05 2k02 s TRP 75 CO 0.00 0.12 0.00 -0.46 -4.62 0.00 0.00 176.95 171.99 2k02 s TRP 76 N -0.96 3.20 -0.01 5.86 -0.11 0.38 -1.74 118.94 125.55 2k02 s TRP 76 Ca 0.05 -1.65 0.02 0.00 1.22 0.00 0.00 56.10 55.75 2k02 s TRP 76 Cb -0.09 -2.13 -0.00 0.00 -1.50 0.00 0.00 33.47 29.75 2k02 s TRP 76 CO 0.03 -0.75 -0.06 0.00 -4.62 0.00 0.00 176.95 171.54 2k02 s ALA 77 N 1.31 0.57 0.35 5.86 0.00 0.01 -0.12 121.76 129.75 2k02 s ALA 77 Ca -0.03 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.73 2k02 s ALA 77 Cb -0.19 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.80 2k02 s ALA 77 CO -0.01 0.12 0.37 1.28 0.00 0.00 0.00 175.76 177.52 2k02 n LEU 78 N 3.08 0.00 0.00 0.00 4.32 -1.26 -1.30 117.00 121.85 2k02 n LEU 78 Ca -0.15 -1.69 0.09 0.00 -0.02 0.00 0.00 56.01 54.24 2k02 n LEU 78 Cb 0.57 -0.14 0.54 0.00 -1.62 0.00 0.00 43.42 42.77 2k02 n LEU 78 CO 0.25 -0.54 0.74 -1.14 -1.22 0.00 0.00 177.39 175.48