#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg7 n SER 2 N 0.00 1.70 -1.31 7.83 3.41 -1.26 -5.10 113.62 118.89 2kg7 n SER 2 Ca 0.00 0.03 0.17 0.00 -0.26 0.00 0.00 58.87 58.81 2kg7 n SER 2 Cb 0.00 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.52 2kg7 n SER 2 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kg7 n LEU 3 N -3.25 -0.84 -2.59 1.04 7.99 -1.26 -5.00 117.00 113.10 2kg7 n LEU 3 Ca -0.38 1.93 -0.01 0.00 -0.01 0.00 0.00 56.01 57.54 2kg7 n LEU 3 Cb 1.03 -3.85 -0.01 0.00 -0.11 0.00 0.00 43.42 40.49 2kg7 n LEU 3 CO 0.35 -2.52 -0.47 -0.11 -1.51 0.00 0.00 177.39 173.12 2kg7 n LEU 4 N -4.14 -7.26 -2.56 2.23 7.94 -1.26 -5.03 117.00 106.92 2kg7 n LEU 4 Ca -0.05 1.41 -0.04 0.00 -1.11 0.00 0.00 56.01 56.23 2kg7 n LEU 4 Cb 0.61 -3.13 0.02 0.00 0.53 0.00 0.00 43.42 41.46 2kg7 n LEU 4 CO 0.03 -3.03 0.57 -0.67 -1.11 0.00 0.00 177.39 173.17 2kg7 n ASP 5 N 0.76 -1.23 -0.09 1.96 2.03 -1.26 -4.97 116.55 113.74 2kg7 n ASP 5 Ca -0.05 -1.80 -0.23 0.00 0.52 0.00 0.00 54.79 53.22 2kg7 n ASP 5 Cb 0.08 0.90 -0.12 0.00 -0.72 0.00 0.00 41.12 41.26 2kg7 n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kg7 n ALA 6 N -0.55 0.93 -1.87 -1.67 0.00 -1.26 -4.85 120.51 111.25 2kg7 n ALA 6 Ca -0.19 -0.67 -0.05 0.00 0.00 0.00 0.00 53.44 52.53 2kg7 n ALA 6 Cb 0.69 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 2kg7 n ALA 6 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2kg7 n HIS 7 N -4.14 0.00 -1.44 0.00 -0.00 -1.26 -5.15 115.22 103.24 2kg7 n HIS 7 Ca -0.38 -0.33 -0.36 0.00 0.46 0.00 0.00 57.72 57.12 2kg7 n HIS 7 Cb 0.82 0.41 0.09 0.00 -0.12 0.00 0.00 29.99 31.18 2kg7 n HIS 7 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2kg7 n ILE 8 N 0.00 3.35 -2.06 3.57 -5.35 -1.26 -4.83 119.36 112.78 2kg7 n ILE 8 Ca -0.18 -0.39 -0.28 0.00 -0.27 0.00 0.00 62.75 61.63 2kg7 n ILE 8 Cb 0.57 -1.23 -0.06 0.00 -1.74 0.00 0.00 39.64 37.18 2kg7 n ILE 8 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2kg7 s PRO 9 N -3.43 2.50 0.15 6.28 0.04 -1.26 -4.93 135.00 134.35 2kg7 s PRO 9 Ca 0.76 -0.97 0.06 0.00 0.04 0.00 0.00 61.00 60.89 2kg7 s PRO 9 Cb -0.35 -5.20 -0.04 0.00 0.04 0.00 0.00 34.50 28.95 2kg7 s PRO 9 CO 0.47 -3.87 0.02 1.14 0.04 0.00 0.00 177.00 174.81 2kg7 s GLN 10 N 6.60 2.52 -1.30 4.56 -2.07 -1.26 -4.65 119.66 124.07 2kg7 s GLN 10 Ca 0.69 -0.99 -0.03 0.00 -1.82 0.00 0.00 55.36 53.21 2kg7 s GLN 10 Cb -0.02 -2.46 -0.00 0.00 -1.09 0.00 0.00 33.01 29.44 2kg7 s GLN 10 CO 0.10 0.48 0.66 1.28 -1.32 0.00 0.00 175.29 176.50 2kg7 n LEU 11 N 0.04 -3.00 -4.74 2.60 4.32 -1.26 -4.95 117.00 110.00 2kg7 n LEU 11 Ca -0.10 -0.87 -0.37 0.00 -0.02 0.00 0.00 56.01 54.65 2kg7 n LEU 11 Cb 0.54 -2.57 -0.06 0.00 -1.62 0.00 0.00 43.42 39.71 2kg7 n LEU 11 CO 0.39 0.41 0.07 -0.69 -1.22 0.00 0.00 177.39 176.35 2kg7 s VAL 12 N -3.70 5.24 -1.46 4.08 1.01 -1.26 -4.19 120.40 120.11 2kg7 s VAL 12 Ca 0.07 0.73 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 2kg7 s VAL 12 Cb -0.02 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2kg7 s VAL 12 CO 0.83 0.38 0.84 0.00 0.00 0.00 0.00 175.10 177.15 2kg7 n ALA 13 N 3.44 -1.14 0.09 5.51 0.00 -1.26 -4.88 120.51 122.26 2kg7 n ALA 13 Ca -0.10 0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 2kg7 n ALA 13 Cb 0.52 -4.38 -0.09 0.00 0.00 0.00 0.00 19.45 15.49 2kg7 n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kg7 h SER 14 N -1.87 0.26 -0.16 0.00 0.87 -1.98 -3.31 113.55 107.36 2kg7 h SER 14 Ca -0.54 -0.25 -0.09 0.00 -1.23 0.00 0.00 61.79 59.68 2kg7 h SER 14 Cb 1.36 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2kg7 h SER 14 CO 0.58 1.15 -0.24 1.56 -0.53 0.00 0.00 176.83 179.35 2kg7 h GLN 15 N 0.07 0.45 -5.12 2.24 4.20 -1.91 -3.49 115.11 111.55 2kg7 h GLN 15 Ca -0.07 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2kg7 h GLN 15 Cb 1.77 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.57 2kg7 h GLN 15 CO 0.16 0.86 -0.96 0.43 -0.67 0.00 0.00 178.83 178.65 2kg7 n SER 16 N -4.43 -7.98 -0.23 1.46 7.64 -1.25 -4.63 113.62 104.21 2kg7 n SER 16 Ca -0.06 1.38 0.07 0.00 1.01 0.00 0.00 58.87 61.27 2kg7 n SER 16 Cb 0.43 -5.31 0.34 0.00 -1.01 0.00 0.00 64.21 58.66 2kg7 n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg7 h ALA 17 N 2.96 1.70 -0.28 -0.43 0.00 -1.95 -2.04 119.26 119.23 2kg7 h ALA 17 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2kg7 h ALA 17 Cb 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2kg7 h ALA 17 CO 0.10 0.15 0.04 0.35 0.00 0.00 0.00 179.25 179.89 2kg7 h PHE 18 N 0.79 0.06 -0.06 0.00 3.57 -1.91 -1.49 116.94 117.90 2kg7 h PHE 18 Ca 0.36 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 2kg7 h PHE 18 Cb 0.36 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2kg7 h PHE 18 CO -0.00 -0.00 -0.19 0.00 -2.23 0.00 0.00 178.31 175.88 2kg7 h ALA 19 N 1.22 1.57 0.03 2.41 0.00 -1.58 -0.25 119.26 122.66 2kg7 h ALA 19 Ca 0.13 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kg7 h ALA 19 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kg7 h ALA 19 CO -0.19 0.32 -0.12 0.00 0.00 0.00 0.00 179.25 179.26 2kg7 h ALA 20 N 1.71 -0.16 0.05 0.00 0.00 -0.78 -1.22 119.26 118.86 2kg7 h ALA 20 Ca 0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 2kg7 h ALA 20 Cb 0.40 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2kg7 h ALA 20 CO 0.03 -0.62 -1.05 1.57 0.00 0.00 0.00 179.25 179.17 2kg7 h LYS 21 N -0.22 0.39 -0.28 0.00 2.10 -1.35 -3.22 116.57 113.99 2kg7 h LYS 21 Ca 0.04 -0.49 0.06 0.00 -2.00 0.00 0.00 60.65 58.26 2kg7 h LYS 21 Cb 0.26 0.15 -0.06 0.00 -0.90 0.00 0.00 32.23 31.69 2kg7 h LYS 21 CO -0.10 1.16 -0.11 0.00 -2.00 0.00 0.00 179.45 178.40 2kg7 h ALA 22 N 0.65 0.13 0.00 0.07 0.00 -0.86 0.92 119.26 120.18 2kg7 h ALA 22 Ca -0.10 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2kg7 h ALA 22 Cb 1.71 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2kg7 h ALA 22 CO 0.18 -0.51 -0.13 0.78 0.00 0.00 0.00 179.25 179.58 2kg7 h GLY 23 N -0.06 0.00 1.99 0.00 0.00 -1.31 -2.32 103.07 101.37 2kg7 h GLY 23 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.27 2kg7 h GLY 23 CO -0.32 0.00 -0.99 -2.00 0.00 0.00 0.00 176.54 173.23 2kg7 h LEU 24 N 0.00 0.01 0.29 3.11 5.85 -1.11 -3.29 115.31 120.16 2kg7 h LEU 24 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kg7 h LEU 24 Cb 0.33 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2kg7 h LEU 24 CO 0.02 0.99 -0.48 -0.03 -0.34 0.00 0.00 178.44 178.60 2kg7 h MET 25 N 0.00 -0.80 -0.10 1.25 4.05 -0.30 0.17 114.93 119.20 2kg7 h MET 25 Ca -0.01 0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 2kg7 h MET 25 Cb 1.74 0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 32.72 2kg7 h MET 25 CO 0.13 -0.53 0.13 0.00 0.23 0.00 0.00 176.91 176.86 2kg7 h ARG 26 N -0.83 0.00 0.04 0.39 3.08 -1.69 -1.07 114.38 114.31 2kg7 h ARG 26 Ca -0.02 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.75 2kg7 h ARG 26 Cb 0.78 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.85 2kg7 h ARG 26 CO -0.17 0.00 -1.11 1.25 -1.07 0.00 0.00 179.97 178.87 2kg7 h HIS 27 N 0.00 0.99 -0.89 3.04 2.76 -1.18 -2.93 115.15 116.94 2kg7 h HIS 27 Ca 0.05 -0.57 0.16 0.00 -2.20 0.00 0.00 60.37 57.81 2kg7 h HIS 27 Cb 0.30 -0.10 -0.10 0.00 1.55 0.00 0.00 27.41 29.06 2kg7 h HIS 27 CO 0.00 1.41 0.48 1.15 -1.30 0.00 0.00 177.93 179.67 2kg7 h THR 28 N 0.33 0.72 -0.03 6.26 2.02 0.62 0.26 112.91 123.09 2kg7 h THR 28 Ca -0.15 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2kg7 h THR 28 Cb 1.77 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2kg7 h THR 28 CO 0.21 0.12 -0.12 0.40 0.37 0.00 0.00 175.52 176.50 2kg7 h ILE 29 N 0.66 1.48 -0.61 3.11 5.03 -1.60 -1.49 117.51 124.09 2kg7 h ILE 29 Ca 0.49 -1.60 0.10 0.00 -0.12 0.00 0.00 64.86 63.74 2kg7 h ILE 29 Cb 0.72 2.46 -0.07 0.00 -3.03 0.00 0.00 36.82 36.89 2kg7 h ILE 29 CO -0.37 0.43 0.22 1.23 -0.68 0.00 0.00 178.15 178.98 2kg7 h GLY 30 N -0.45 0.86 1.44 5.37 0.00 -1.19 0.50 103.07 109.60 2kg7 h GLY 30 Ca -0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 2kg7 h GLY 30 CO 0.03 -0.03 -0.71 1.46 0.00 0.00 0.00 176.54 177.29 2kg7 h GLN 31 N 0.40 0.55 -0.35 4.80 1.08 -1.04 -3.14 115.11 117.41 2kg7 h GLN 31 Ca 0.31 -0.43 -0.04 0.00 -1.45 0.00 0.00 58.65 57.05 2kg7 h GLN 31 Cb 0.40 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2kg7 h GLN 31 CO -0.32 1.05 0.06 0.00 -0.95 0.00 0.00 178.83 178.68 2kg7 h ALA 32 N 0.83 1.47 -0.60 3.87 0.00 -0.44 -2.22 119.26 122.16 2kg7 h ALA 32 Ca -0.03 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.85 2kg7 h ALA 32 Cb 1.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2kg7 h ALA 32 CO 0.13 0.39 0.41 0.93 0.00 0.00 0.00 179.25 181.11 2kg7 h GLU 33 N 0.50 0.28 -0.99 0.00 5.08 -0.87 -1.01 114.58 117.57 2kg7 h GLU 33 Ca 0.12 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.64 2kg7 h GLU 33 Cb 0.23 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.32 2kg7 h GLU 33 CO -0.00 0.18 0.61 0.37 -1.00 0.00 0.00 179.01 179.18 2kg7 h GLN 34 N 0.29 0.71 -0.20 2.33 4.15 -1.52 0.22 115.11 121.09 2kg7 h GLN 34 Ca 0.29 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.59 2kg7 h GLN 34 Cb 0.73 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2kg7 h GLN 34 CO -0.07 0.47 -0.22 0.00 -1.93 0.00 0.00 178.83 177.09 2kg7 h ALA 35 N 1.62 1.27 0.00 3.38 0.00 -1.34 -2.24 119.26 121.95 2kg7 h ALA 35 Ca 0.55 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2kg7 h ALA 35 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2kg7 h ALA 35 CO -0.33 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.40 2kg7 h ALA 36 N 1.46 1.00 -0.78 0.00 0.00 -0.65 -3.15 119.26 117.14 2kg7 h ALA 36 Ca 0.05 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.19 2kg7 h ALA 36 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2kg7 h ALA 36 CO 0.04 0.00 0.57 0.52 0.00 0.00 0.00 179.25 180.38 2kg7 h MET 37 N 0.00 0.00 -0.74 0.00 2.07 -0.72 -0.51 114.93 115.03 2kg7 h MET 37 Ca 0.00 0.00 0.13 0.00 -2.07 0.00 0.00 59.70 57.76 2kg7 h MET 37 Cb 0.68 0.00 -0.09 0.00 -1.87 0.00 0.00 31.60 30.32 2kg7 h MET 37 CO 0.00 0.00 0.30 1.03 1.07 0.00 0.00 176.91 179.31 2kg7 h SER 38 N 0.00 0.29 1.06 1.22 0.87 -1.72 0.18 113.55 115.45 2kg7 h SER 38 Ca 0.37 0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.97 2kg7 h SER 38 Cb 1.52 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.54 2kg7 h SER 38 CO -0.00 0.12 -0.30 0.00 -0.53 0.00 0.00 176.83 176.11 2kg7 h ALA 39 N 1.53 0.95 0.00 6.23 0.00 -1.35 -2.81 119.26 123.80 2kg7 h ALA 39 Ca 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kg7 h ALA 39 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kg7 h ALA 39 CO -0.38 0.38 0.00 0.94 0.00 0.00 0.00 179.25 180.18 2kg7 n GLN 40 N -3.38 0.02 0.22 0.00 -0.06 0.61 -3.47 117.38 111.32 2kg7 n GLN 40 Ca 0.01 0.24 -0.16 0.00 -2.00 0.00 0.00 57.00 55.09 2kg7 n GLN 40 Cb 0.51 -1.53 -0.08 0.00 -4.06 0.00 0.00 30.24 25.08 2kg7 n GLN 40 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2kg7 h ALA 41 N 2.53 -0.80 -0.87 1.69 0.00 -1.20 -3.44 119.26 117.17 2kg7 h ALA 41 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kg7 h ALA 41 Cb 0.29 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kg7 h ALA 41 CO 0.00 -0.99 0.00 1.19 0.00 0.00 0.00 179.25 179.45 2kg7 n PHE 42 N -5.47 0.00 -0.65 0.00 3.72 -0.07 -2.53 117.46 112.45 2kg7 n PHE 42 Ca -0.10 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.22 2kg7 n PHE 42 Cb 0.38 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.13 2kg7 n PHE 42 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2kg7 n HIS 43 N 0.00 2.10 -1.88 1.38 -0.00 -1.26 -4.01 115.22 111.55 2kg7 n HIS 43 Ca 0.00 -1.15 0.05 0.00 0.46 0.00 0.00 57.72 57.08 2kg7 n HIS 43 Cb 0.00 -0.64 0.09 0.00 -0.12 0.00 0.00 29.99 29.31 2kg7 n HIS 43 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 2kg7 n GLN 44 N -0.25 0.65 0.00 1.57 -0.06 -1.05 -5.04 117.38 113.20 2kg7 n GLN 44 Ca 0.37 -2.20 0.00 0.00 -2.00 0.00 0.00 57.00 53.16 2kg7 n GLN 44 Cb 1.25 -0.81 0.00 0.00 -4.06 0.00 0.00 30.24 26.61 2kg7 n GLN 44 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kg7 n GLY 45 N -0.40 0.76 4.01 1.69 0.00 -1.26 -4.96 105.19 105.03 2kg7 n GLY 45 Ca 0.10 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2kg7 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kg7 s GLU 46 N 0.00 2.76 -0.02 1.61 8.01 -1.26 -4.94 118.70 124.87 2kg7 s GLU 46 Ca 0.00 -1.20 -0.16 0.00 0.01 0.00 0.00 54.97 53.62 2kg7 s GLU 46 Cb 0.00 -2.72 0.03 0.00 -4.31 0.00 0.00 34.13 27.13 2kg7 s GLU 46 CO 0.00 -0.36 0.34 0.45 0.01 0.00 0.00 175.26 175.70 2kg7 s SER 47 N -4.38 -0.23 -0.30 -0.19 0.15 -1.26 -0.89 113.70 106.60 2kg7 s SER 47 Ca 0.56 0.14 -0.18 0.00 0.70 0.00 0.00 55.95 57.16 2kg7 s SER 47 Cb -0.10 0.33 0.17 0.00 -1.71 0.00 0.00 66.02 64.72 2kg7 s SER 47 CO 0.34 -0.46 1.25 -0.55 1.20 0.00 0.00 173.24 175.02 2kg7 s SER 48 N -1.30 -0.05 0.14 5.45 0.15 -1.26 -5.02 113.70 111.80 2kg7 s SER 48 Ca -0.13 0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.46 2kg7 s SER 48 Cb -0.05 1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 65.26 2kg7 s SER 48 CO 0.05 -0.01 1.43 0.00 1.20 0.00 0.00 173.24 175.90 2kg7 h ALA 49 N 7.87 0.51 -0.14 5.45 0.00 -2.01 -2.96 119.26 127.98 2kg7 h ALA 49 Ca -0.10 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.34 2kg7 h ALA 49 Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2kg7 h ALA 49 CO -0.21 0.68 0.20 0.00 0.00 0.00 0.00 179.25 179.92 2kg7 h ALA 50 N 0.74 1.65 -0.67 0.00 0.00 -2.02 -1.67 119.26 117.29 2kg7 h ALA 50 Ca 0.02 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2kg7 h ALA 50 Cb 1.14 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2kg7 h ALA 50 CO 0.12 -0.27 0.36 0.35 0.00 0.00 0.00 179.25 179.81 2kg7 h PHE 51 N 0.00 0.66 0.01 0.00 3.57 -1.94 -2.56 116.94 116.68 2kg7 h PHE 51 Ca 0.07 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.62 2kg7 h PHE 51 Cb 0.46 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 2kg7 h PHE 51 CO 0.00 0.29 -0.26 0.37 -2.23 0.00 0.00 178.31 176.49 2kg7 h GLN 52 N 0.65 -0.38 -0.93 1.11 5.75 -1.48 0.14 115.11 119.97 2kg7 h GLN 52 Ca 0.31 0.03 0.22 0.00 -0.15 0.00 0.00 58.65 59.05 2kg7 h GLN 52 Cb 0.24 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.80 2kg7 h GLN 52 CO -0.21 -0.26 0.62 0.00 -2.65 0.00 0.00 178.83 176.33 2kg7 h ALA 53 N 0.42 2.23 0.02 3.38 0.00 -1.59 0.30 119.26 124.02 2kg7 h ALA 53 Ca 0.06 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2kg7 h ALA 53 Cb 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2kg7 h ALA 53 CO -0.22 -0.54 -0.95 0.00 0.00 0.00 0.00 179.25 177.54 2kg7 h ALA 54 N 1.61 0.45 -0.11 0.00 0.00 -0.90 -2.89 119.26 117.42 2kg7 h ALA 54 Ca 0.49 -0.81 -0.23 0.00 0.00 0.00 0.00 54.91 54.37 2kg7 h ALA 54 Cb 1.25 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2kg7 h ALA 54 CO -0.19 1.05 -0.83 1.25 0.00 0.00 0.00 179.25 180.52 2kg7 h HIS 55 N 0.04 0.99 -0.04 0.00 6.17 0.21 -3.13 115.15 119.39 2kg7 h HIS 55 Ca -0.04 -0.46 -0.10 0.00 0.71 0.00 0.00 60.37 60.49 2kg7 h HIS 55 Cb 1.63 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 31.40 2kg7 h HIS 55 CO 0.02 1.29 -0.42 0.00 0.71 0.00 0.00 177.93 179.52 2kg7 h ALA 56 N 0.58 1.23 -0.44 5.26 0.00 -0.70 -2.88 119.26 122.30 2kg7 h ALA 56 Ca -0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 2kg7 h ALA 56 Cb 1.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2kg7 h ALA 56 CO 0.17 0.56 -0.08 0.00 0.00 0.00 0.00 179.25 179.89 2kg7 h ARG 57 N 0.07 0.77 0.31 0.00 3.08 -1.49 -1.69 114.38 115.44 2kg7 h ARG 57 Ca 0.00 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 2kg7 h ARG 57 Cb 0.78 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2kg7 h ARG 57 CO 0.06 0.83 -0.15 0.35 -1.07 0.00 0.00 179.97 179.99 2kg7 h PHE 58 N 0.71 -0.38 -0.56 3.04 3.04 -1.46 -2.83 116.94 118.49 2kg7 h PHE 58 Ca 0.13 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.15 2kg7 h PHE 58 Cb 0.54 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.15 2kg7 h PHE 58 CO 0.03 -0.05 0.38 -0.24 -2.02 0.00 0.00 178.31 176.41 2kg7 h VAL 59 N -0.79 0.93 -0.80 1.41 3.04 -1.51 0.49 116.25 119.01 2kg7 h VAL 59 Ca -0.04 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.46 2kg7 h VAL 59 Cb 0.51 0.47 -0.04 0.00 -2.01 0.00 0.00 31.29 30.22 2kg7 h VAL 59 CO 0.07 0.08 0.36 0.00 -1.01 0.00 0.00 177.57 177.07 2kg7 h ALA 60 N 1.71 1.04 0.07 3.17 0.00 -1.23 -2.84 119.26 121.17 2kg7 h ALA 60 Ca 0.25 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 2kg7 h ALA 60 Cb 0.44 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kg7 h ALA 60 CO -0.07 0.63 -1.11 0.00 0.00 0.00 0.00 179.25 178.70 2kg7 h ALA 61 N 1.19 0.24 -0.87 0.00 0.00 -0.99 -3.26 119.26 115.57 2kg7 h ALA 61 Ca 0.27 -0.87 0.24 0.00 0.00 0.00 0.00 54.91 54.55 2kg7 h ALA 61 Cb 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2kg7 h ALA 61 CO -0.03 1.04 0.61 0.00 0.00 0.00 0.00 179.25 180.87 2kg7 h ALA 62 N 0.77 2.63 -0.39 0.00 0.00 -0.71 0.19 119.26 121.75 2kg7 h ALA 62 Ca -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2kg7 h ALA 62 Cb 1.84 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2kg7 h ALA 62 CO 0.17 -0.89 0.15 0.00 0.00 0.00 0.00 179.25 178.68 2kg7 h ALA 63 N 1.59 0.50 0.26 0.00 0.00 -1.58 0.25 119.26 120.28 2kg7 h ALA 63 Ca 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2kg7 h ALA 63 Cb 1.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2kg7 h ALA 63 CO -0.06 0.11 -0.13 -0.22 0.00 0.00 0.00 179.25 178.95 2kg7 h LYS 64 N 0.48 -0.34 -0.45 0.00 3.11 -1.14 0.46 116.57 118.70 2kg7 h LYS 64 Ca 0.13 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.93 2kg7 h LYS 64 Cb 0.19 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.48 2kg7 h LYS 64 CO -0.01 -0.22 0.00 -0.24 -2.81 0.00 0.00 179.45 176.17 2kg7 h VAL 65 N -0.36 1.23 -0.39 2.00 3.04 -1.44 -1.48 116.25 118.84 2kg7 h VAL 65 Ca -0.04 -0.95 -0.04 0.00 -1.01 0.00 0.00 66.70 64.67 2kg7 h VAL 65 Cb 0.27 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 30.42 2kg7 h VAL 65 CO 0.06 0.33 0.11 -1.13 -1.01 0.00 0.00 177.57 175.93 2kg7 h ASN 66 N 0.69 0.59 0.02 3.17 -1.24 -0.24 -2.52 115.58 116.05 2kg7 h ASN 66 Ca 0.14 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 56.93 2kg7 h ASN 66 Cb 0.42 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2kg7 h ASN 66 CO 0.02 0.65 -0.01 0.74 -1.29 0.00 0.00 177.43 177.54 2kg7 h THR 67 N 0.49 1.21 -0.91 -3.57 2.02 -0.71 -2.93 112.91 108.50 2kg7 h THR 67 Ca 0.12 -0.69 0.22 0.00 0.77 0.00 0.00 66.41 66.83 2kg7 h THR 67 Cb 0.29 1.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 2kg7 h THR 67 CO -0.00 0.18 0.61 -0.07 0.37 0.00 0.00 175.52 176.61 2kg7 h LEU 68 N -0.32 0.35 0.16 2.58 3.38 -1.26 -1.45 115.31 118.75 2kg7 h LEU 68 Ca -0.00 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kg7 h LEU 68 Cb 0.31 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2kg7 h LEU 68 CO 0.00 0.13 -0.28 -0.07 0.09 0.00 0.00 178.44 178.32 2kg7 h LEU 69 N 0.35 -0.79 -1.00 1.67 -0.00 -1.25 0.28 115.31 114.57 2kg7 h LEU 69 Ca 0.47 0.09 0.05 0.00 -0.00 0.00 0.00 57.88 58.49 2kg7 h LEU 69 Cb 1.28 0.29 -0.06 0.00 -0.00 0.00 0.00 40.66 42.17 2kg7 h LEU 69 CO -0.16 -0.38 0.65 -0.78 -0.00 0.00 0.00 178.44 177.76 2kg7 h ASP 70 N -0.52 1.06 0.11 -0.43 3.58 -1.31 -1.36 116.42 117.54 2kg7 h ASP 70 Ca 0.02 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 2kg7 h ASP 70 Cb 0.53 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2kg7 h ASP 70 CO -0.14 0.70 -0.30 0.58 -2.88 0.00 0.00 179.24 177.20 2kg7 h VAL 71 N 1.21 1.27 0.02 2.25 2.07 -1.02 -0.19 116.25 121.86 2kg7 h VAL 71 Ca 0.41 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 2kg7 h VAL 71 Cb 0.08 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2kg7 h VAL 71 CO -0.15 0.39 -0.01 0.00 0.02 0.00 0.00 177.57 177.82 2kg7 h ALA 72 N 1.42 -0.03 -0.10 1.67 0.00 0.65 0.25 119.26 123.12 2kg7 h ALA 72 Ca 0.04 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2kg7 h ALA 72 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2kg7 h ALA 72 CO 0.05 -0.42 -0.60 1.96 0.00 0.00 0.00 179.25 180.24 2kg7 h GLN 73 N -0.22 0.35 0.14 0.00 4.20 -1.38 -1.70 115.11 116.50 2kg7 h GLN 73 Ca -0.00 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 2kg7 h GLN 73 Cb 0.21 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2kg7 h GLN 73 CO 0.01 0.84 -0.07 0.00 -0.67 0.00 0.00 178.83 178.94 2kg7 h ALA 74 N 1.10 -0.19 -0.31 3.87 0.00 -0.94 0.24 119.26 123.04 2kg7 h ALA 74 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2kg7 h ALA 74 Cb 1.12 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2kg7 h ALA 74 CO 0.10 -0.38 0.01 -0.91 0.00 0.00 0.00 179.25 178.07 2kg7 h ASN 75 N -0.64 0.43 1.38 0.00 -0.26 -0.56 -2.21 115.58 113.73 2kg7 h ASN 75 Ca -0.02 -0.07 -0.12 0.00 -0.56 0.00 0.00 56.30 55.52 2kg7 h ASN 75 Cb 0.48 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 2kg7 h ASN 75 CO 0.03 0.50 -0.59 -0.07 -1.06 0.00 0.00 177.43 176.24 2kg7 h LEU 76 N 0.45 0.00 0.00 1.61 3.38 -1.29 -3.48 115.31 115.98 2kg7 h LEU 76 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2kg7 h LEU 76 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kg7 h LEU 76 CO 0.01 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2kg7 n GLY 77 N 1.21 1.61 0.26 0.83 0.00 0.84 -4.24 105.19 105.70 2kg7 n GLY 77 Ca 0.02 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.17 2kg7 n GLY 77 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kg7 h GLU 78 N 0.00 0.40 -0.36 1.61 5.08 -1.90 0.33 114.58 119.73 2kg7 h GLU 78 Ca 0.00 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2kg7 h GLU 78 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2kg7 h GLU 78 CO 0.00 0.27 0.35 0.00 -1.00 0.00 0.00 179.01 178.62 2kg7 h ALA 79 N 1.51 2.10 -0.29 3.43 0.00 -1.74 -3.25 119.26 121.03 2kg7 h ALA 79 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2kg7 h ALA 79 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kg7 h ALA 79 CO -0.38 -0.53 0.00 0.00 0.00 0.00 0.00 179.25 178.34 2kg7 n ALA 80 N -2.41 0.00 0.00 0.00 0.00 0.84 -4.32 120.51 114.62 2kg7 n ALA 80 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2kg7 n ALA 80 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2kg7 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kg7 n GLY 81 N 1.69 1.22 3.64 0.00 0.00 0.53 -4.91 105.19 107.35 2kg7 n GLY 81 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 2kg7 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kg7 s THR 82 N 0.00 4.52 0.42 2.61 2.01 -1.26 -5.01 115.64 118.93 2kg7 s THR 82 Ca 0.00 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 61.89 2kg7 s THR 82 Cb 0.00 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2kg7 s THR 82 CO 0.00 0.52 0.06 -0.72 -0.69 0.00 0.00 174.62 173.79 2kg7 s TYR 83 N -0.08 1.96 -0.77 4.92 -0.85 -1.26 -5.05 117.35 116.22 2kg7 s TYR 83 Ca 0.05 -1.02 -0.26 0.00 -0.52 0.00 0.00 57.07 55.33 2kg7 s TYR 83 Cb -0.12 -1.42 -0.09 0.00 0.38 0.00 0.00 41.96 40.70 2kg7 s TYR 83 CO 0.02 0.05 2.23 0.54 -1.52 0.00 0.00 175.55 176.86 2kg7 s VAL 84 N -3.05 3.17 -0.57 -3.49 0.11 -1.26 -4.77 120.40 110.54 2kg7 s VAL 84 Ca 0.22 -0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 2kg7 s VAL 84 Cb 0.05 -3.39 0.44 0.00 -1.53 0.00 0.00 36.38 31.95 2kg7 s VAL 84 CO 0.12 -0.37 1.75 0.00 -3.33 0.00 0.00 175.10 173.27 2kg7 n ALA 85 N 16.48 5.92 -0.06 1.54 0.00 -1.26 -4.47 120.51 138.66 2kg7 n ALA 85 Ca 0.41 -3.67 -0.00 0.00 0.00 0.00 0.00 53.44 50.19 2kg7 n ALA 85 Cb 0.46 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 2kg7 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg7 n ALA 86 N -0.80 2.11 -1.74 0.00 0.00 -1.26 -4.97 120.51 113.85 2kg7 n ALA 86 Ca 0.56 -0.96 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 2kg7 n ALA 86 Cb 0.71 -0.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 2kg7 n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kg7 s ASP 87 N -5.03 6.10 0.27 0.00 -1.08 -1.26 -5.07 116.67 110.60 2kg7 s ASP 87 Ca -0.09 1.72 0.05 0.00 -0.52 0.00 0.00 52.55 53.71 2kg7 s ASP 87 Cb 0.10 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 39.01 2kg7 s ASP 87 CO 0.87 -0.95 0.20 0.00 0.52 0.00 0.00 175.17 175.81 2kg7 n ALA 88 N -1.87 0.54 0.06 3.66 0.00 -1.26 -5.05 120.51 116.59 2kg7 n ALA 88 Ca 0.08 -1.55 -0.06 0.00 0.00 0.00 0.00 53.44 51.91 2kg7 n ALA 88 Cb 0.53 1.21 -0.11 0.00 0.00 0.00 0.00 19.45 21.08 2kg7 n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg7 h ALA 89 N 1.77 0.40 -0.38 0.00 0.00 -2.00 -3.20 119.26 115.85 2kg7 h ALA 89 Ca -0.20 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2kg7 h ALA 89 Cb 0.94 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kg7 h ALA 89 CO 0.29 1.21 0.00 0.00 0.00 0.00 0.00 179.25 180.76 2kg7 n ALA 90 N -2.35 2.88 0.18 0.00 0.00 -1.26 -4.27 120.51 115.69 2kg7 n ALA 90 Ca -0.01 -0.93 0.15 0.00 0.00 0.00 0.00 53.44 52.65 2kg7 n ALA 90 Cb 0.93 -1.02 0.77 0.00 0.00 0.00 0.00 19.45 20.12 2kg7 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg7 h ALA 91 N 3.47 1.97 -2.97 0.00 0.00 -1.97 -3.38 119.26 116.38 2kg7 h ALA 91 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 2kg7 h ALA 91 Cb 0.97 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.62 2kg7 h ALA 91 CO 0.15 -0.27 -0.52 -1.54 0.00 0.00 0.00 179.25 177.07 2kg7 s SER 92 N -6.20 6.04 0.56 0.00 1.04 -1.26 -5.06 113.70 108.81 2kg7 s SER 92 Ca -0.05 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.45 2kg7 s SER 92 Cb 0.17 -2.11 0.04 0.00 0.10 0.00 0.00 66.02 64.21 2kg7 s SER 92 CO 0.61 -0.01 0.34 -0.89 0.98 0.00 0.00 173.24 174.28 2kg7 s THR 93 N 1.51 1.43 -0.09 2.02 2.01 -1.26 -5.14 115.64 116.12 2kg7 s THR 93 Ca 0.07 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.19 2kg7 s THR 93 Cb -0.15 -2.02 0.11 0.00 0.01 0.00 0.00 72.50 70.46 2kg7 s THR 93 CO 0.09 0.00 0.94 -0.72 -0.69 0.00 0.00 174.62 174.23 2kg7 s TYR 94 N -2.83 -0.38 0.53 4.92 1.13 -1.26 -5.19 117.35 114.27 2kg7 s TYR 94 Ca 0.27 0.50 0.03 0.00 -1.41 0.00 0.00 57.07 56.46 2kg7 s TYR 94 Cb -0.02 0.48 0.01 0.00 -1.10 0.00 0.00 41.96 41.33 2kg7 s TYR 94 CO 0.17 -0.44 0.21 0.95 -2.51 0.00 0.00 175.55 173.93 2kg7 s THR 95 N -1.90 1.43 0.00 -3.49 -4.23 -1.26 -5.08 115.64 101.11 2kg7 s THR 95 Ca 0.00 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2kg7 s THR 95 Cb -0.01 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.67 2kg7 s THR 95 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2kg7 n GLY 96 N -1.52 -1.85 0.69 3.99 0.00 -1.26 -5.38 105.19 99.87 2kg7 n GLY 96 Ca -0.10 0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.55 2kg7 n GLY 96 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65