#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax n GLU 2 N 0.00 0.00 -0.49 0.03 0.00 -1.26 -5.07 120.64 113.86 2kax n GLU 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.87 2kax n GLU 2 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 31.44 31.71 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2kax s THR 3 N -0.60 1.58 -0.05 3.84 -4.23 -1.26 -4.89 115.64 110.03 2kax s THR 3 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.25 2kax s THR 3 Cb 0.00 -2.09 -0.21 0.00 1.34 0.00 0.00 72.50 71.54 2kax s THR 3 CO 0.00 0.00 1.15 1.55 -0.54 0.00 0.00 174.62 176.78 2kax h PRO 4 N -3.05 -0.01 -0.06 3.99 0.13 -2.02 -3.24 132.00 127.74 2kax h PRO 4 Ca -0.52 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2kax h PRO 4 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2kax h PRO 4 CO 0.39 0.58 0.02 1.25 -0.23 0.00 0.00 178.00 180.01 2kax h LEU 5 N -0.61 0.09 -1.54 1.56 5.85 -2.01 -2.02 115.31 116.63 2kax h LEU 5 Ca -0.00 -0.18 0.18 0.00 0.84 0.00 0.00 57.88 58.72 2kax h LEU 5 Cb 0.60 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2kax h LEU 5 CO 0.00 0.25 0.56 1.05 -0.34 0.00 0.00 178.44 179.96 2kax h GLU 6 N -0.08 0.40 0.00 1.25 -0.00 -1.96 -2.56 114.58 111.64 2kax h GLU 6 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2kax h GLU 6 Cb 0.19 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.85 2kax h GLU 6 CO -0.00 0.27 -0.71 1.17 -0.00 0.00 0.00 179.01 179.73 2kax n LYS 7 N -4.49 0.11 -0.00 1.06 0.00 -0.89 -1.89 118.16 112.05 2kax n LYS 7 Ca 0.17 0.01 -0.10 0.00 0.00 0.00 0.00 58.31 58.39 2kax n LYS 7 Cb 0.62 -1.55 -0.04 0.00 0.00 0.00 0.00 35.03 34.07 2kax n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kax h ALA 8 N 2.83 0.03 -0.76 3.14 0.00 -0.94 -0.20 119.26 123.36 2kax h ALA 8 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2kax h ALA 8 Cb 0.59 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2kax h ALA 8 CO 0.00 -0.52 0.29 -0.07 0.00 0.00 0.00 179.25 178.94 2kax h LEU 9 N -0.06 1.06 -0.51 0.00 -0.00 -1.45 -1.07 115.31 113.27 2kax h LEU 9 Ca 0.07 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.75 2kax h LEU 9 Cb 0.16 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 2kax h LEU 9 CO -0.16 0.96 0.22 0.74 -0.00 0.00 0.00 178.44 180.20 2kax h THR 10 N 1.12 1.21 -0.55 0.22 2.02 -1.25 0.80 112.91 116.47 2kax h THR 10 Ca 0.25 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 66.89 2kax h THR 10 Cb 0.24 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 2kax h THR 10 CO -0.02 0.24 0.21 0.74 0.37 0.00 0.00 175.52 177.06 2kax h THR 11 N 0.69 0.81 0.05 3.16 2.02 -0.83 -1.56 112.91 117.25 2kax h THR 11 Ca 0.17 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 2kax h THR 11 Cb 0.16 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2kax h THR 11 CO -0.02 0.07 -0.02 0.24 0.37 0.00 0.00 175.52 176.16 2kax h MET 12 N 0.39 -0.06 -0.39 6.66 2.07 -0.28 -2.76 114.93 120.55 2kax h MET 12 Ca 0.27 0.00 -0.09 0.00 -2.07 0.00 0.00 59.70 57.81 2kax h MET 12 Cb 0.30 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.03 2kax h MET 12 CO -0.27 0.29 -0.14 -0.39 1.07 0.00 0.00 176.91 177.47 2kax h VAL 13 N -0.42 1.26 -0.84 -2.22 -1.51 -0.84 -0.85 116.25 110.83 2kax h VAL 13 Ca -0.01 -1.19 -0.00 0.00 -1.23 0.00 0.00 66.70 64.28 2kax h VAL 13 Cb 0.38 1.11 -0.04 0.00 -2.13 0.00 0.00 31.29 30.61 2kax h VAL 13 CO 0.01 0.40 0.52 0.74 -1.23 0.00 0.00 177.57 178.00 2kax h THR 14 N 0.65 1.23 0.00 7.19 2.02 -1.30 -1.56 112.91 121.14 2kax h THR 14 Ca 0.11 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2kax h THR 14 Cb 0.61 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2kax h THR 14 CO 0.04 0.24 -0.00 0.74 0.37 0.00 0.00 175.52 176.91 2kax h THR 15 N 1.16 1.71 -0.65 3.16 2.02 -1.18 -3.35 112.91 115.78 2kax h THR 15 Ca 0.30 -2.19 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 2kax h THR 15 Cb -0.06 3.18 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 2kax h THR 15 CO -0.06 0.56 0.38 0.15 0.37 0.00 0.00 175.52 176.92 2kax h PHE 16 N -0.95 0.85 -0.92 3.16 3.04 -1.15 -2.34 116.94 118.63 2kax h PHE 16 Ca -0.00 -0.00 0.20 0.00 3.98 0.00 0.00 57.97 62.15 2kax h PHE 16 Cb 0.92 -0.28 -0.11 0.00 2.56 0.00 0.00 35.95 39.04 2kax h PHE 16 CO 0.25 0.58 0.49 1.25 -2.02 0.00 0.00 178.31 178.86 2kax h HIS 17 N 0.89 0.83 0.00 0.41 2.76 -1.42 -2.19 115.15 116.44 2kax h HIS 17 Ca 0.23 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2kax h HIS 17 Cb -0.02 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.72 2kax h HIS 17 CO 0.00 0.09 0.00 0.87 -1.30 0.00 0.00 177.93 177.60 2kax h LYS 18 N 0.57 0.00 0.00 5.26 1.57 -1.55 0.13 116.57 122.54 2kax h LYS 18 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 2kax h LYS 18 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2kax h LYS 18 CO -0.44 0.00 -1.39 0.66 -0.57 0.00 0.00 179.45 177.71 2kax n TYR 19 N -2.97 0.00 -0.09 -1.35 4.02 -0.86 -4.59 117.16 111.33 2kax n TYR 19 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 2kax n TYR 19 Cb 0.19 -0.22 -0.07 0.00 -0.02 0.00 0.00 39.34 39.22 2kax n TYR 19 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2kax h SER 20 N 0.00 0.00 0.00 7.72 0.02 -0.94 -3.40 113.55 116.95 2kax h SER 20 Ca 0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2kax h SER 20 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2kax h SER 20 CO 0.00 1.12 0.00 0.61 -1.14 0.00 0.00 176.83 177.42 2kax n GLY 21 N 1.54 1.30 0.19 -3.77 0.00 0.37 -4.03 105.19 100.79 2kax n GLY 21 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 2kax n GLY 21 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kax h ARG 22 N 0.98 0.31 0.00 1.61 3.08 -1.81 -3.40 114.38 115.15 2kax h ARG 22 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2kax h ARG 22 Cb 0.61 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2kax h ARG 22 CO 0.00 0.76 -0.09 0.39 -1.07 0.00 0.00 179.97 179.96 2kax n GLU 23 N -3.94 5.32 0.00 0.04 1.02 -1.26 -5.16 120.64 116.66 2kax n GLU 23 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2kax n GLU 23 Cb 0.56 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kax n GLY 24 N 0.23 -0.81 4.11 0.62 0.00 -1.26 -5.09 105.19 103.01 2kax n GLY 24 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2kax n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kax n SER 25 N 0.00 0.18 0.00 1.61 3.41 -1.26 -3.44 113.62 114.12 2kax n SER 25 Ca 0.00 -1.11 0.04 0.00 -0.26 0.00 0.00 58.87 57.54 2kax n SER 25 Cb 0.00 -1.39 0.24 0.00 -0.26 0.00 0.00 64.21 62.79 2kax n SER 25 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2kax n LYS 26 N -4.00 0.18 -0.03 4.33 2.85 -1.26 -0.68 118.16 119.55 2kax n LYS 26 Ca -0.18 0.12 0.02 0.00 -1.05 0.00 0.00 58.31 57.22 2kax n LYS 26 Cb 0.55 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.47 2kax n LYS 26 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kax n LEU 27 N -1.17 1.76 -3.99 -5.58 4.77 -1.26 -4.45 117.00 107.07 2kax n LEU 27 Ca 0.05 -1.37 -0.09 0.00 -0.03 0.00 0.00 56.01 54.58 2kax n LEU 27 Cb 0.05 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.00 2kax n LEU 27 CO 0.06 0.41 -0.32 0.42 -1.33 0.00 0.00 177.39 176.63 2kax s THR 28 N -0.62 0.14 0.15 -5.08 -4.23 0.14 -4.31 115.64 101.83 2kax s THR 28 Ca 0.07 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 2kax s THR 28 Cb 0.04 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.14 2kax s THR 28 CO 0.06 -0.65 0.32 -1.48 -0.54 0.00 0.00 174.62 172.33 2kax s LEU 29 N -2.00 0.83 0.39 4.79 2.34 -0.91 -4.54 118.68 119.59 2kax s LEU 29 Ca -0.07 -0.67 -0.13 0.00 0.06 0.00 0.00 54.13 53.32 2kax s LEU 29 Cb -0.03 1.42 -0.07 0.00 -0.56 0.00 0.00 46.19 46.94 2kax s LEU 29 CO -0.04 -0.88 0.79 -0.94 -1.06 0.00 0.00 176.35 174.22 2kax s SER 30 N -2.90 6.62 0.15 1.48 1.04 -1.26 -0.94 113.70 117.88 2kax s SER 30 Ca 0.11 1.24 -0.20 0.00 0.48 0.00 0.00 55.95 57.58 2kax s SER 30 Cb 0.03 -2.36 0.03 0.00 0.10 0.00 0.00 66.02 63.82 2kax s SER 30 CO -0.05 -0.36 1.66 -0.09 0.98 0.00 0.00 173.24 175.39 2kax h ARG 31 N 1.54 -0.10 -0.99 4.02 9.65 -0.58 0.93 114.38 128.85 2kax h ARG 31 Ca -0.47 0.01 0.23 0.00 -1.10 0.00 0.00 59.98 58.64 2kax h ARG 31 Cb 1.18 0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 29.70 2kax h ARG 31 CO 0.64 -0.07 0.63 0.87 2.80 0.00 0.00 179.97 184.84 2kax h LYS 32 N -0.11 0.49 -0.02 0.20 1.57 -1.77 -1.10 116.57 115.83 2kax h LYS 32 Ca 0.14 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2kax h LYS 32 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2kax h LYS 32 CO -0.33 0.32 -0.16 1.49 -0.57 0.00 0.00 179.45 180.20 2kax h GLU 33 N 0.50 0.15 -0.81 3.15 4.57 -1.23 -3.03 114.58 117.87 2kax h GLU 33 Ca 0.56 -0.13 0.12 0.00 -1.18 0.00 0.00 59.36 58.73 2kax h GLU 33 Cb 1.24 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.78 2kax h GLU 33 CO -0.29 0.82 0.43 1.25 -1.18 0.00 0.00 179.01 180.03 2kax h LEU 34 N -0.47 0.55 -1.79 1.64 5.85 -0.82 0.19 115.31 120.46 2kax h LEU 34 Ca -0.01 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2kax h LEU 34 Cb 0.86 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 2kax h LEU 34 CO 0.03 0.27 0.31 0.50 -0.34 0.00 0.00 178.44 179.21 2kax h LYS 35 N 0.66 0.24 0.15 1.25 3.11 -1.27 -2.43 116.57 118.28 2kax h LYS 35 Ca 0.42 -0.01 -0.34 0.00 -2.81 0.00 0.00 60.65 57.91 2kax h LYS 35 Cb 0.52 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.69 2kax h LYS 35 CO -0.32 0.16 -1.74 1.49 -2.81 0.00 0.00 179.45 176.23 2kax h GLU 36 N 0.25 0.32 -0.31 1.90 4.57 -0.63 -3.25 114.58 117.43 2kax h GLU 36 Ca 0.21 -0.54 0.07 0.00 -1.18 0.00 0.00 59.36 57.92 2kax h GLU 36 Cb 0.50 0.20 -0.08 0.00 -0.16 0.00 0.00 28.75 29.22 2kax h GLU 36 CO -0.04 1.26 -0.22 1.25 -1.18 0.00 0.00 179.01 180.08 2kax h LEU 37 N -0.02 -0.71 -0.22 1.64 5.85 -0.73 -0.93 115.31 120.19 2kax h LEU 37 Ca -0.36 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 2kax h LEU 37 Cb 1.99 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 43.37 2kax h LEU 37 CO 0.12 -0.25 0.04 0.40 -0.34 0.00 0.00 178.44 178.41 2kax h ILE 38 N -0.18 1.22 -0.05 4.05 2.04 -1.62 0.47 117.51 123.44 2kax h ILE 38 Ca 0.16 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.30 2kax h ILE 38 Cb 0.43 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2kax h ILE 38 CO -0.42 0.23 0.05 0.50 0.00 0.00 0.00 178.15 178.51 2kax h LYS 39 N 0.16 0.00 0.00 2.37 3.11 -1.53 0.78 116.57 121.46 2kax h LYS 39 Ca 0.07 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.88 2kax h LYS 39 Cb 0.31 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.54 2kax h LYS 39 CO 0.00 0.00 -0.27 0.87 -2.81 0.00 0.00 179.45 177.24 2kax h LYS 40 N 0.00 0.00 0.09 1.90 6.56 -0.70 -3.39 116.57 121.02 2kax h LYS 40 Ca 0.02 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2kax h LYS 40 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 2kax h LYS 40 CO -0.00 0.36 -0.04 1.05 -2.06 0.00 0.00 179.45 178.76 2kax h GLU 41 N -1.00 -0.11 -3.27 3.15 -0.00 -0.88 -3.33 114.58 109.13 2kax h GLU 41 Ca -0.04 0.01 -0.78 0.00 -0.00 0.00 0.00 59.36 58.54 2kax h GLU 41 Cb 0.51 0.03 -0.22 0.00 -0.00 0.00 0.00 28.75 29.07 2kax h GLU 41 CO -0.03 0.34 1.39 -0.11 -0.00 0.00 0.00 179.01 180.60 2kax n LEU 42 N -4.92 6.48 -4.05 3.06 0.00 0.26 -4.91 117.00 112.92 2kax n LEU 42 Ca -0.09 -4.92 -0.35 0.00 0.00 0.00 0.00 56.01 50.66 2kax n LEU 42 Cb 0.26 -1.39 -0.08 0.00 0.00 0.00 0.00 43.42 42.21 2kax n LEU 42 CO 0.31 1.51 1.68 0.00 0.00 0.00 0.00 177.39 180.89 2kax s LEU 44 N 6.38 3.40 -0.02 0.00 1.02 -1.26 -4.76 118.68 123.45 2kax s LEU 44 Ca 0.66 0.75 0.16 0.00 0.02 0.00 0.00 54.13 55.72 2kax s LEU 44 Cb 0.07 -3.02 -0.24 0.00 0.02 0.00 0.00 46.19 43.02 2kax s LEU 44 CO 0.17 -2.01 0.41 0.61 0.02 0.00 0.00 176.35 175.54 2kax n GLY 45 N 5.52 -0.71 0.00 -3.19 0.00 -1.26 -4.87 105.19 100.68 2kax n GLY 45 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2kax n GLY 45 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kax n GLU 46 N -1.96 0.00 -1.76 1.61 0.00 -1.26 -5.02 120.64 112.25 2kax n GLU 46 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.74 2kax n GLU 46 Cb 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 31.44 31.58 2kax n GLU 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 2kax n MET 47 N -0.92 3.97 -3.46 3.44 0.00 -1.26 -4.88 117.12 114.00 2kax n MET 47 Ca 0.00 -2.93 -0.12 0.00 0.00 0.00 0.00 57.70 54.65 2kax n MET 47 Cb 0.00 -2.80 -0.03 0.00 0.00 0.00 0.00 33.22 30.39 2kax n MET 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2kax s LYS 48 N 0.70 1.23 0.00 2.12 -2.85 -1.26 -4.95 119.74 114.72 2kax s LYS 48 Ca 0.57 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 2kax s LYS 48 Cb 0.17 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.50 2kax s LYS 48 CO -0.07 -0.53 0.00 0.39 0.10 0.00 0.00 175.35 175.25 2kax n GLU 49 N -0.29 1.99 0.00 1.78 1.02 -1.26 -5.16 120.64 118.72 2kax n GLU 49 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2kax n GLU 49 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.06 2kax n GLU 49 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kax n SER 50 N 0.00 0.00 0.00 1.62 2.88 -1.26 -4.71 113.62 112.15 2kax n SER 50 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kax n SER 50 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kax n SER 50 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kax n SER 51 N 0.00 0.00 -0.06 -3.46 7.64 -1.26 -4.39 113.62 112.08 2kax n SER 51 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2kax n SER 51 Cb 0.00 0.00 0.54 0.00 -1.01 0.00 0.00 64.21 63.74 2kax n SER 51 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2kax h ILE 52 N 0.00 0.86 -0.03 0.44 -0.00 -1.98 0.11 117.51 116.91 2kax h ILE 52 Ca 0.00 -0.11 -0.24 0.00 -0.00 0.00 0.00 64.86 64.51 2kax h ILE 52 Cb 0.00 0.51 0.01 0.00 -0.00 0.00 0.00 36.82 37.34 2kax h ILE 52 CO 0.00 0.06 -0.96 0.44 -0.00 0.00 0.00 178.15 177.69 2kax h ASP 53 N 0.32 0.80 -0.19 2.19 3.32 -1.87 -0.83 116.42 120.16 2kax h ASP 53 Ca 0.27 -0.61 -0.13 0.00 0.02 0.00 0.00 57.03 56.58 2kax h ASP 53 Cb 0.64 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2kax h ASP 53 CO -0.07 1.41 -0.40 -0.78 -1.72 0.00 0.00 179.24 177.68 2kax h ASP 54 N 0.37 0.68 -0.83 6.45 3.58 -1.79 -2.18 116.42 122.71 2kax h ASP 54 Ca -0.10 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 56.79 2kax h ASP 54 Cb 1.60 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.41 2kax h ASP 54 CO 0.18 1.11 0.48 -0.07 -2.88 0.00 0.00 179.24 178.06 2kax h LEU 55 N 0.28 1.02 -0.51 2.28 3.38 -0.84 0.35 115.31 121.28 2kax h LEU 55 Ca 0.00 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2kax h LEU 55 Cb 1.00 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2kax h LEU 55 CO 0.09 0.80 0.21 0.24 0.09 0.00 0.00 178.44 179.87 2kax h MET 56 N 1.16 0.40 0.00 1.13 2.86 -1.11 -0.26 114.93 119.11 2kax h MET 56 Ca 0.30 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 2kax h MET 56 Cb -0.01 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 2kax h MET 56 CO -0.05 0.26 -0.10 0.87 1.06 0.00 0.00 176.91 178.95 2kax h LYS 57 N 0.41 0.00 0.00 1.72 1.79 -0.38 0.71 116.57 120.82 2kax h LYS 57 Ca 0.24 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.51 2kax h LYS 57 Cb 0.22 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 2kax h LYS 57 CO -0.22 0.10 -0.99 1.03 -1.08 0.00 0.00 179.45 178.29 2kax h SER 58 N 0.00 0.00 0.24 0.86 0.87 0.46 -2.17 113.55 113.81 2kax h SER 58 Ca -0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.21 2kax h SER 58 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2kax h SER 58 CO 0.01 0.94 -1.83 -0.07 -0.53 0.00 0.00 176.83 175.35 2kax h LEU 59 N 0.00 0.41 -1.42 2.23 3.38 -1.00 -3.36 115.31 115.55 2kax h LEU 59 Ca -0.03 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2kax h LEU 59 Cb 1.74 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2kax h LEU 59 CO 0.12 1.68 0.00 -0.78 0.09 0.00 0.00 178.44 179.55 2kax h ASP 60 N 0.07 0.00 -0.65 -0.43 3.58 -0.92 -3.04 116.42 115.03 2kax h ASP 60 Ca -0.36 0.00 0.23 0.00 0.42 0.00 0.00 57.03 57.32 2kax h ASP 60 Cb 2.05 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 43.03 2kax h ASP 60 CO 0.12 0.00 0.42 1.17 -2.88 0.00 0.00 179.24 178.07 2kax n LYS 61 N -2.32 -0.02 0.00 0.28 3.00 -0.82 -0.52 118.16 117.76 2kax n LYS 61 Ca -0.01 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 2kax n LYS 61 Cb 0.07 -1.17 0.00 0.00 0.00 0.00 0.00 35.03 33.93 2kax n LYS 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kax n ASN 62 N -3.60 1.04 0.00 3.14 5.03 -1.15 -5.06 115.26 114.66 2kax n ASN 62 Ca 0.19 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.39 2kax n ASN 62 Cb 0.74 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.50 2kax n ASN 62 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2kax n SER 63 N -0.13 0.00 0.00 6.41 2.88 0.32 -3.56 113.62 119.54 2kax n SER 63 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kax n SER 63 Cb 0.13 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2kax n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kax n ASP 64 N 0.00 0.06 -4.57 -3.46 8.00 -1.26 -2.28 116.55 113.04 2kax n ASP 64 Ca 0.00 -0.07 -0.36 0.00 0.71 0.00 0.00 54.79 55.07 2kax n ASP 64 Cb 0.00 0.15 0.08 0.00 -0.02 0.00 0.00 41.12 41.33 2kax n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kax n GLN 65 N -0.16 0.49 -3.17 -1.24 10.64 -1.23 -3.84 117.38 118.86 2kax n GLN 65 Ca 0.00 0.21 -0.37 0.00 -1.83 0.00 0.00 57.00 55.02 2kax n GLN 65 Cb 0.00 -2.08 -0.06 0.00 -0.86 0.00 0.00 30.24 27.24 2kax n GLN 65 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2kax s GLU 66 N -3.05 4.22 0.01 2.61 8.01 -1.26 -0.06 118.70 129.18 2kax s GLU 66 Ca 0.71 0.80 0.02 0.00 0.01 0.00 0.00 54.97 56.51 2kax s GLU 66 Cb -0.36 -2.99 -0.01 0.00 -4.31 0.00 0.00 34.13 26.46 2kax s GLU 66 CO 0.52 0.47 -0.07 0.42 0.01 0.00 0.00 175.26 176.61 2kax s ILE 67 N -1.40 0.56 0.56 -1.63 1.01 -0.12 -4.96 121.20 115.23 2kax s ILE 67 Ca 0.39 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.56 2kax s ILE 67 Cb -0.17 -0.53 0.08 0.00 0.01 0.00 0.00 42.46 41.85 2kax s ILE 67 CO 0.21 -0.03 0.76 1.51 0.00 0.00 0.00 174.94 177.39 2kax s ASP 68 N -0.67 5.12 0.37 3.58 -4.77 -1.26 -2.14 116.67 116.90 2kax s ASP 68 Ca -0.01 -0.83 0.16 0.00 -3.30 0.00 0.00 52.55 48.56 2kax s ASP 68 Cb -0.05 0.24 0.88 0.00 -1.09 0.00 0.00 42.92 42.90 2kax s ASP 68 CO 0.00 -1.30 1.42 -0.26 0.70 0.00 0.00 175.17 175.73 2kax h PHE 69 N 0.23 0.00 0.03 2.11 0.04 -2.00 -3.15 116.94 114.19 2kax h PHE 69 Ca -0.31 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.46 2kax h PHE 69 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 2kax h PHE 69 CO 0.45 0.00 -0.01 0.87 -0.60 0.00 0.00 178.31 179.02 2kax h LYS 70 N 0.00 -0.03 -0.21 1.51 1.57 -1.97 0.11 116.57 117.55 2kax h LYS 70 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2kax h LYS 70 Cb 0.55 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2kax h LYS 70 CO 0.00 0.68 0.14 0.93 -0.57 0.00 0.00 179.45 180.63 2kax h GLU 71 N -0.91 0.21 0.26 3.15 5.08 -1.97 -0.70 114.58 119.70 2kax h GLU 71 Ca -0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2kax h GLU 71 Cb 0.72 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2kax h GLU 71 CO 0.01 0.14 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.11 2kax h TYR 72 N 0.22 -0.32 -0.35 4.33 3.20 -1.61 -2.18 116.97 120.27 2kax h TYR 72 Ca 0.08 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 2kax h TYR 72 Cb 0.06 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2kax h TYR 72 CO -0.00 0.00 -0.19 0.66 -1.64 0.00 0.00 178.16 176.99 2kax h SER 73 N -0.66 0.65 0.19 -2.11 4.64 -0.33 -1.03 113.55 114.90 2kax h SER 73 Ca -0.04 -0.21 -0.15 0.00 -0.47 0.00 0.00 61.79 60.92 2kax h SER 73 Cb 0.46 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2kax h SER 73 CO 0.06 0.85 -0.58 -0.37 -0.87 0.00 0.00 176.83 175.91 2kax h VAL 74 N 0.58 1.35 -0.33 0.95 -1.51 -1.22 -0.27 116.25 115.80 2kax h VAL 74 Ca 0.09 -1.89 -0.12 0.00 -1.23 0.00 0.00 66.70 63.55 2kax h VAL 74 Cb 0.65 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 2kax h VAL 74 CO 0.05 0.57 -0.27 0.15 -1.23 0.00 0.00 177.57 176.84 2kax h PHE 75 N 0.30 0.91 -0.43 5.19 3.04 -1.13 0.13 116.94 124.96 2kax h PHE 75 Ca -0.00 -0.26 -0.02 0.00 3.98 0.00 0.00 57.97 61.67 2kax h PHE 75 Cb 1.11 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 2kax h PHE 75 CO 0.03 1.02 0.21 -0.07 -2.02 0.00 0.00 178.31 177.48 2kax h LEU 76 N 0.54 0.56 -0.16 0.59 3.38 -1.20 -0.27 115.31 118.75 2kax h LEU 76 Ca 0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kax h LEU 76 Cb 0.84 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2kax h LEU 76 CO 0.07 0.53 0.10 0.74 0.09 0.00 0.00 178.44 179.97 2kax h THR 77 N 0.55 1.07 -0.89 0.22 2.02 -0.94 -0.77 112.91 114.17 2kax h THR 77 Ca 0.15 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2kax h THR 77 Cb 0.12 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 2kax h THR 77 CO -0.02 0.06 0.53 -0.03 0.37 0.00 0.00 175.52 176.43 2kax h MET 78 N 0.19 1.20 -0.05 6.66 1.85 -0.66 -1.04 114.93 123.08 2kax h MET 78 Ca 0.06 -0.11 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 2kax h MET 78 Cb 0.01 -0.25 -0.00 0.00 0.43 0.00 0.00 31.60 31.79 2kax h MET 78 CO -0.01 0.85 0.01 -0.07 -0.40 0.00 0.00 176.91 177.29 2kax h LEU 79 N 1.22 0.07 -0.45 3.39 -0.00 -0.76 -0.38 115.31 118.40 2kax h LEU 79 Ca 0.32 -0.21 0.06 0.00 -0.00 0.00 0.00 57.88 58.06 2kax h LEU 79 Cb -0.04 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 40.54 2kax h LEU 79 CO -0.06 0.26 0.12 0.00 -0.00 0.00 0.00 178.44 178.76 2kax h MET 81 N 0.27 0.18 -0.01 0.00 1.85 -1.19 -1.63 114.93 114.40 2kax h MET 81 Ca 0.21 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 2kax h MET 81 Cb 0.24 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.25 2kax h MET 81 CO -0.25 0.38 0.00 0.00 -0.40 0.00 0.00 176.91 176.64 2kax n ALA 82 N -2.49 2.65 -0.24 0.39 0.00 -0.16 -4.28 120.51 116.39 2kax n ALA 82 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2kax n ALA 82 Cb 0.31 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2kax n ALA 82 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kax n TYR 83 N -0.71 0.00 -2.04 0.00 0.18 -1.10 -4.89 117.16 108.60 2kax n TYR 83 Ca 0.21 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.58 2kax n TYR 83 Cb 0.15 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.11 2kax n TYR 83 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2kax n ASN 84 N 0.00 5.77 0.03 9.48 3.02 -0.62 -4.66 115.26 128.27 2kax n ASN 84 Ca 0.00 -3.01 0.05 0.00 -0.03 0.00 0.00 54.58 51.59 2kax n ASN 84 Cb 0.00 -1.50 0.23 0.00 -0.61 0.00 0.00 39.78 37.90 2kax n ASN 84 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2kax n ASP 85 N 3.88 0.11 0.00 6.41 2.03 -1.26 -2.86 116.55 124.85 2kax n ASP 85 Ca 0.50 0.54 0.01 0.00 0.52 0.00 0.00 54.79 56.36 2kax n ASP 85 Cb 0.33 -0.56 0.04 0.00 -0.72 0.00 0.00 41.12 40.21 2kax n ASP 85 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2kax n PHE 86 N -1.63 0.00 -0.46 -0.67 3.72 -1.26 -2.04 117.46 115.11 2kax n PHE 86 Ca 0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 2kax n PHE 86 Cb 0.10 -0.42 0.14 0.00 -0.94 0.00 0.00 39.48 38.36 2kax n PHE 86 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2kax n PHE 87 N -1.42 0.38 -3.64 1.38 3.72 -1.13 -5.04 117.46 111.71 2kax n PHE 87 Ca 0.01 -0.67 -0.07 0.00 -0.05 0.00 0.00 57.45 56.67 2kax n PHE 87 Cb 0.02 -0.12 -0.00 0.00 -0.94 0.00 0.00 39.48 38.44 2kax n PHE 87 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2kax n LEU 88 N -0.30 0.00 -0.08 4.37 7.99 -0.87 -5.09 117.00 123.03 2kax n LEU 88 Ca 0.12 -0.75 -0.08 0.00 -0.01 0.00 0.00 56.01 55.28 2kax n LEU 88 Cb 0.52 -0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.71 2kax n LEU 88 CO 0.06 -0.32 -1.03 -0.62 -1.51 0.00 0.00 177.39 173.97 2kax n GLU 89 N -0.80 1.33 -3.82 3.23 4.71 -1.26 -5.08 120.64 118.94 2kax n GLU 89 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.03 2kax n GLU 89 Cb 0.16 -1.41 -0.09 0.00 -1.01 0.00 0.00 31.44 29.10 2kax n GLU 89 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 2kax s ASP 90 N -5.03 -0.03 -0.88 1.62 -4.77 -1.26 -5.11 116.67 101.21 2kax s ASP 90 Ca -0.09 -0.24 -0.23 0.00 -3.30 0.00 0.00 52.55 48.69 2kax s ASP 90 Cb 0.05 0.29 0.06 0.00 -1.09 0.00 0.00 42.92 42.23 2kax s ASP 90 CO 0.64 -0.51 1.29 0.21 0.70 0.00 0.00 175.17 177.49 2kax s ASN 91 N -1.83 6.38 0.00 2.11 3.04 -1.26 -5.08 114.94 118.31 2kax s ASN 91 Ca -0.08 -1.20 0.00 0.00 0.04 0.00 0.00 52.86 51.61 2kax s ASN 91 Cb -0.03 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.16 2kax s ASN 91 CO -0.01 -1.52 0.00 2.29 -3.04 0.00 0.00 177.10 174.81