#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 0.70 -2.04 0.03 4.71 -1.26 -4.81 120.64 117.96 2kax n GLU 2 Ca 0.00 0.19 -0.31 0.00 -0.01 0.00 0.00 57.16 57.03 2kax n GLU 2 Cb 0.00 -1.62 -0.00 0.00 -1.01 0.00 0.00 31.44 28.81 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2kax s THR 3 N -2.54 4.66 -0.00 2.62 -4.23 -1.26 -5.01 115.64 109.88 2kax s THR 3 Ca -0.25 0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 61.01 2kax s THR 3 Cb 0.08 -3.83 -0.21 0.00 1.34 0.00 0.00 72.50 69.89 2kax s THR 3 CO 0.71 -1.01 1.15 1.55 -0.54 0.00 0.00 174.62 176.48 2kax h PRO 4 N 0.06 0.33 -0.03 3.99 0.13 -2.02 -3.23 132.00 131.23 2kax h PRO 4 Ca -0.45 -0.28 -0.09 0.00 -0.87 0.00 0.00 66.00 64.31 2kax h PRO 4 Cb 1.19 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kax h PRO 4 CO 0.62 0.94 -0.39 1.25 -0.23 0.00 0.00 178.00 180.19 2kax h LEU 5 N -0.19 0.06 -1.77 1.56 5.85 -2.00 -2.40 115.31 116.42 2kax h LEU 5 Ca -0.03 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2kax h LEU 5 Cb 1.03 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2kax h LEU 5 CO 0.07 0.45 0.18 -0.08 -0.34 0.00 0.00 178.44 178.73 2kax h GLU 6 N 0.05 0.31 -0.32 1.25 4.57 -1.96 0.37 114.58 118.84 2kax h GLU 6 Ca 0.00 -0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.26 2kax h GLU 6 Cb 0.72 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2kax h GLU 6 CO 0.05 0.20 0.32 0.87 -1.18 0.00 0.00 179.01 179.28 2kax h LYS 7 N 0.32 0.00 -0.13 1.92 6.56 -1.44 0.18 116.57 123.97 2kax h LYS 7 Ca 0.11 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.67 2kax h LYS 7 Cb 0.03 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 2kax h LYS 7 CO -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 179.45 177.34 2kax h ALA 8 N 1.66 0.18 -0.04 3.86 0.00 -1.06 -1.69 119.26 122.17 2kax h ALA 8 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kax h ALA 8 Cb 0.80 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2kax h ALA 8 CO -0.00 -0.07 -0.03 -0.07 0.00 0.00 0.00 179.25 179.08 2kax h LEU 9 N -0.05 0.09 -0.70 0.00 -0.00 -1.22 -0.41 115.31 113.02 2kax h LEU 9 Ca 0.03 -0.45 0.15 0.00 -0.00 0.00 0.00 57.88 57.61 2kax h LEU 9 Cb 0.45 -0.03 -0.13 0.00 -0.00 0.00 0.00 40.66 40.96 2kax h LEU 9 CO 0.01 0.52 -0.09 0.74 -0.00 0.00 0.00 178.44 179.63 2kax h THR 10 N -0.34 0.34 0.20 0.22 2.02 -0.83 0.15 112.91 114.67 2kax h THR 10 Ca 0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2kax h THR 10 Cb 0.49 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2kax h THR 10 CO 0.01 0.01 -0.14 0.74 0.37 0.00 0.00 175.52 176.51 2kax h THR 11 N 0.05 0.71 -0.22 3.16 2.02 -1.13 -1.35 112.91 116.15 2kax h THR 11 Ca 0.36 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.57 2kax h THR 11 Cb 0.59 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2kax h THR 11 CO -0.67 0.00 0.03 0.24 0.37 0.00 0.00 175.52 175.48 2kax h MET 12 N -0.34 0.10 -0.30 6.66 2.07 -0.02 -1.36 114.93 121.74 2kax h MET 12 Ca -0.02 -0.01 -0.18 0.00 -2.07 0.00 0.00 59.70 57.43 2kax h MET 12 Cb 0.29 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.00 2kax h MET 12 CO 0.01 0.07 -0.52 -0.39 1.07 0.00 0.00 176.91 177.15 2kax h VAL 13 N 0.11 1.28 -0.51 -2.22 -1.51 -0.68 -0.50 116.25 112.21 2kax h VAL 13 Ca 0.10 -1.70 -0.11 0.00 -1.23 0.00 0.00 66.70 63.76 2kax h VAL 13 Cb 0.11 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 2kax h VAL 13 CO -0.15 0.56 -0.13 0.00 -1.23 0.00 0.00 177.57 176.62 2kax h THR 14 N 0.66 1.27 -0.25 7.19 1.03 -1.24 -1.70 112.91 119.87 2kax h THR 14 Ca 0.02 -1.28 -0.05 0.00 -0.01 0.00 0.00 66.41 65.09 2kax h THR 14 Cb 1.12 1.04 -0.01 0.00 -1.07 0.00 0.00 68.15 69.23 2kax h THR 14 CO 0.12 0.45 -0.06 0.74 -0.01 0.00 0.00 175.52 176.76 2kax h THR 15 N 0.85 1.28 -0.45 0.00 2.02 -1.17 -3.11 112.91 112.34 2kax h THR 15 Ca 0.13 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 2kax h THR 15 Cb 0.69 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2kax h THR 15 CO 0.05 0.33 -0.07 0.15 0.37 0.00 0.00 175.52 176.36 2kax h PHE 16 N 0.23 0.84 -0.46 3.16 3.04 -1.11 -3.02 116.94 119.62 2kax h PHE 16 Ca 0.07 -0.14 0.09 0.00 3.98 0.00 0.00 57.97 61.97 2kax h PHE 16 Cb 0.52 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 2kax h PHE 16 CO 0.05 0.81 0.31 1.25 -2.02 0.00 0.00 178.31 178.71 2kax h HIS 17 N 0.71 0.25 0.00 0.41 2.76 -1.23 0.01 115.15 118.06 2kax h HIS 17 Ca 0.13 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2kax h HIS 17 Cb 0.53 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2kax h HIS 17 CO 0.03 0.12 -0.13 0.87 -1.30 0.00 0.00 177.93 177.52 2kax h LYS 18 N 0.24 0.00 0.00 5.26 1.57 -1.56 0.76 116.57 122.83 2kax h LYS 18 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2kax h LYS 18 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2kax h LYS 18 CO -0.04 0.13 -1.04 0.66 -0.57 0.00 0.00 179.45 178.59 2kax n TYR 19 N -3.61 0.00 -0.08 -1.35 4.02 -0.70 -4.24 117.16 111.20 2kax n TYR 19 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.79 2kax n TYR 19 Cb 0.25 -0.12 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 2kax n TYR 19 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2kax n SER 20 N -1.58 1.84 -0.52 7.72 2.88 -0.09 -4.41 113.62 119.45 2kax n SER 20 Ca -0.01 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 2kax n SER 20 Cb 0.18 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2kax n SER 20 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kax n GLY 21 N 1.56 1.41 0.00 0.46 0.00 0.25 -2.31 105.19 106.56 2kax n GLY 21 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.98 2kax n GLY 21 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kax n ARG 22 N 0.05 0.07 0.00 1.61 1.85 -1.25 -4.61 116.66 114.38 2kax n ARG 22 Ca 0.00 0.17 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 2kax n ARG 22 Cb 0.24 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2kax n GLU 23 N -1.45 0.00 0.00 2.89 1.02 -1.25 -5.11 120.64 116.74 2kax n GLU 23 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2kax n GLU 23 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 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 0.00 4.06 3.65 0.62 0.00 -0.98 -5.13 105.19 107.41 2kax n GLY 24 Ca 0.00 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 2kax n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kax s SER 25 N -0.09 2.71 0.00 1.61 0.15 -1.25 -4.20 113.70 112.64 2kax s SER 25 Ca 0.00 1.65 0.28 0.00 0.70 0.00 0.00 55.95 58.58 2kax s SER 25 Cb 0.00 -2.30 1.25 0.00 -1.71 0.00 0.00 66.02 63.26 2kax s SER 25 CO 0.00 -3.14 1.91 0.29 1.20 0.00 0.00 173.24 173.50 2kax n LYS 26 N -4.23 0.11 -0.03 5.44 4.01 -1.26 -2.73 118.16 119.48 2kax n LYS 26 Ca 0.07 0.02 -0.02 0.00 -0.51 0.00 0.00 58.31 57.87 2kax n LYS 26 Cb 0.54 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.49 2kax n LYS 26 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2kax n LEU 27 N -1.44 0.00 -4.00 -0.35 7.99 -1.26 -4.75 117.00 113.19 2kax n LEU 27 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.97 2kax n LEU 27 Cb 0.30 0.16 -0.12 0.00 -0.11 0.00 0.00 43.42 43.65 2kax n LEU 27 CO 0.25 0.16 -0.38 0.42 -1.51 0.00 0.00 177.39 176.32 2kax s THR 28 N -2.34 0.32 0.12 -5.08 -4.23 -1.26 -3.63 115.64 99.55 2kax s THR 28 Ca -0.04 -0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 59.52 2kax s THR 28 Cb 0.04 -0.40 0.01 0.00 1.34 0.00 0.00 72.50 73.49 2kax s THR 28 CO 0.37 -0.34 0.30 -1.48 -0.54 0.00 0.00 174.62 172.93 2kax s LEU 29 N -1.24 0.90 0.37 4.79 2.34 -1.11 -3.81 118.68 120.92 2kax s LEU 29 Ca -0.10 -0.56 -0.27 0.00 0.06 0.00 0.00 54.13 53.26 2kax s LEU 29 Cb -0.08 1.42 -0.10 0.00 -0.56 0.00 0.00 46.19 46.87 2kax s LEU 29 CO -0.00 -0.82 1.35 -0.94 -1.06 0.00 0.00 176.35 174.88 2kax s SER 30 N -2.86 6.47 0.30 1.48 1.04 -1.26 -0.25 113.70 118.62 2kax s SER 30 Ca 0.06 2.77 0.05 0.00 0.48 0.00 0.00 55.95 59.31 2kax s SER 30 Cb 0.03 -2.65 0.79 0.00 0.10 0.00 0.00 66.02 64.30 2kax s SER 30 CO -0.09 -0.75 1.64 0.03 0.98 0.00 0.00 173.24 175.05 2kax h ARG 31 N 3.00 0.19 -0.84 4.02 2.47 0.25 -0.56 114.38 122.92 2kax h ARG 31 Ca -0.50 -0.01 0.15 0.00 -1.26 0.00 0.00 59.98 58.36 2kax h ARG 31 Cb 1.24 -0.04 -0.15 0.00 -1.65 0.00 0.00 29.97 29.36 2kax h ARG 31 CO 0.64 0.13 -0.30 -0.22 0.56 0.00 0.00 179.97 180.77 2kax h LYS 32 N 0.20 -0.04 0.10 0.04 1.63 -1.09 -1.10 116.57 116.31 2kax h LYS 32 Ca 0.59 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 60.11 2kax h LYS 32 Cb 1.25 0.01 0.02 0.00 -0.60 0.00 0.00 32.23 32.91 2kax h LYS 32 CO -0.68 -0.03 -1.20 0.93 -3.45 0.00 0.00 179.45 175.03 2kax h GLU 33 N -0.04 0.56 -0.42 1.90 4.39 -1.37 -1.86 114.58 117.74 2kax h GLU 33 Ca 0.35 -0.73 -0.13 0.00 0.34 0.00 0.00 59.36 59.19 2kax h GLU 33 Cb 0.60 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2kax h GLU 33 CO -0.87 1.32 -0.24 1.25 -1.16 0.00 0.00 179.01 179.31 2kax h LEU 34 N 0.25 0.94 -1.45 1.33 5.85 -1.46 -1.87 115.31 118.89 2kax h LEU 34 Ca -0.17 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.19 2kax h LEU 34 Cb 1.87 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.60 2kax h LEU 34 CO 0.22 1.15 0.42 0.50 -0.34 0.00 0.00 178.44 180.39 2kax h LYS 35 N 0.73 0.68 -0.17 1.25 3.11 -1.24 -2.54 116.57 118.39 2kax h LYS 35 Ca 0.09 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 2kax h LYS 35 Cb 0.81 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 2kax h LYS 35 CO 0.07 0.45 0.01 1.49 -2.81 0.00 0.00 179.45 178.65 2kax h GLU 36 N 0.70 0.30 -0.95 1.90 4.57 -0.84 -3.30 114.58 116.95 2kax h GLU 36 Ca 0.26 -0.09 0.19 0.00 -1.18 0.00 0.00 59.36 58.54 2kax h GLU 36 Cb 0.17 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.65 2kax h GLU 36 CO -0.08 0.50 0.61 -0.07 -1.18 0.00 0.00 179.01 178.80 2kax h LEU 37 N 0.05 0.60 0.00 1.64 3.38 -0.91 -0.46 115.31 119.61 2kax h LEU 37 Ca 0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kax h LEU 37 Cb 0.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2kax h LEU 37 CO 0.01 0.23 -0.51 -0.38 0.09 0.00 0.00 178.44 177.89 2kax n ILE 38 N -4.62 0.38 0.00 1.22 5.41 -1.21 -0.40 119.36 120.14 2kax n ILE 38 Ca 0.21 -0.26 0.11 0.00 1.00 0.00 0.00 62.75 63.81 2kax n ILE 38 Cb 0.62 -0.19 -0.17 0.00 -0.71 0.00 0.00 39.64 39.19 2kax n ILE 38 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2kax n LYS 39 N -2.10 0.65 -0.03 0.38 4.76 -0.96 -4.21 118.16 116.64 2kax n LYS 39 Ca 0.04 -0.20 -0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2kax n LYS 39 Cb 0.43 -1.51 -0.00 0.00 -1.84 0.00 0.00 35.03 32.11 2kax n LYS 39 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2kax h LYS 40 N 0.00 0.00 0.00 1.97 1.79 -0.93 -3.42 116.57 115.98 2kax h LYS 40 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kax h LYS 40 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2kax h LYS 40 CO 0.00 0.00 -0.77 0.39 -1.08 0.00 0.00 179.45 177.99 2kax n GLU 41 N -3.73 2.75 -3.46 3.15 1.02 0.47 -4.60 120.64 116.24 2kax n GLU 41 Ca -0.01 -0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.73 2kax n GLU 41 Cb 0.03 -1.03 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kax s LEU 42 N -2.84 4.27 -0.36 -4.62 0.20 -0.94 -5.02 118.68 109.37 2kax s LEU 42 Ca 0.01 0.64 -0.05 0.00 0.69 0.00 0.00 54.13 55.42 2kax s LEU 42 Cb 0.06 -2.50 0.20 0.00 -0.43 0.00 0.00 46.19 43.53 2kax s LEU 42 CO 0.37 0.08 1.01 0.00 -0.29 0.00 0.00 176.35 177.52 2kax h LEU 44 N 4.89 0.49 0.00 0.00 3.38 -1.95 -3.50 115.31 118.62 2kax h LEU 44 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2kax h LEU 44 Cb 1.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2kax h LEU 44 CO -0.07 0.86 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2kax n GLY 45 N -0.03 3.04 0.82 0.83 0.00 -1.26 -5.01 105.19 103.58 2kax n GLY 45 Ca -0.02 -1.94 0.05 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.34 2.16 -0.32 1.61 0.28 -1.26 -4.55 120.64 118.22 2kax n GLU 46 Ca 0.00 -1.32 0.11 0.00 -0.16 0.00 0.00 57.16 55.78 2kax n GLU 46 Cb 0.00 -1.47 0.28 0.00 1.43 0.00 0.00 31.44 31.67 2kax n GLU 46 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 2kax h MET 47 N 1.97 0.63 -3.29 3.44 2.86 -2.04 -3.38 114.93 115.11 2kax h MET 47 Ca 0.00 -0.04 -0.60 0.00 -2.06 0.00 0.00 59.70 57.00 2kax h MET 47 Cb 0.72 -0.14 -0.40 0.00 0.06 0.00 0.00 31.60 31.84 2kax h MET 47 CO 0.08 0.42 -0.75 0.21 1.06 0.00 0.00 176.91 177.93 2kax s LYS 48 N -5.91 1.03 0.23 1.72 2.47 -1.26 -5.11 119.74 112.92 2kax s LYS 48 Ca -0.12 -1.59 -0.06 0.00 -1.56 0.00 0.00 55.97 52.65 2kax s LYS 48 Cb 0.24 -2.20 -0.02 0.00 -1.46 0.00 0.00 37.83 34.39 2kax s LYS 48 CO 0.79 -1.08 0.30 -1.21 0.16 0.00 0.00 175.35 174.31 2kax s GLU 49 N 0.93 1.40 0.00 4.03 0.41 -1.26 -4.89 118.70 119.33 2kax s GLU 49 Ca 0.14 -1.48 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 2kax s GLU 49 Cb -0.21 0.37 0.00 0.00 -1.78 0.00 0.00 34.13 32.51 2kax s GLU 49 CO -0.10 -0.53 0.00 0.45 -0.49 0.00 0.00 175.26 174.59 2kax n SER 50 N -0.41 0.00 0.00 -0.19 2.88 -1.26 -4.22 113.62 110.43 2kax n SER 50 Ca 0.01 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2kax n SER 50 Cb 0.64 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.37 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 2.78 0.00 -0.00 -3.46 7.64 -1.26 -1.05 113.62 118.27 2kax n SER 51 Ca 0.00 -0.56 0.05 0.00 1.01 0.00 0.00 58.87 59.36 2kax n SER 51 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2kax n SER 51 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2kax n ILE 52 N -0.84 0.00 0.12 0.44 -6.64 -1.26 -4.60 119.36 106.58 2kax n ILE 52 Ca 0.07 -0.27 0.09 0.00 -1.77 0.00 0.00 62.75 60.87 2kax n ILE 52 Cb 0.03 0.95 0.02 0.00 -1.44 0.00 0.00 39.64 39.20 2kax n ILE 52 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 2kax h ASP 53 N 0.00 0.00 -0.40 7.28 3.58 -1.43 -0.75 116.42 124.70 2kax h ASP 53 Ca 0.00 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.51 2kax h ASP 53 Cb 0.25 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 2kax h ASP 53 CO 0.00 0.15 0.08 -0.78 -2.88 0.00 0.00 179.24 175.80 2kax h ASP 54 N 0.00 0.00 -0.42 2.28 3.58 -1.82 -0.34 116.42 119.71 2kax h ASP 54 Ca -0.03 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2kax h ASP 54 Cb 1.14 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.27 2kax h ASP 54 CO 0.01 0.04 0.19 -0.07 -2.88 0.00 0.00 179.24 176.53 2kax h LEU 55 N 0.20 0.56 -0.07 2.28 3.38 -1.73 0.23 115.31 120.16 2kax h LEU 55 Ca 0.19 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2kax h LEU 55 Cb 0.23 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2kax h LEU 55 CO -0.25 0.55 -0.37 0.24 0.09 0.00 0.00 178.44 178.69 2kax h MET 56 N 0.53 -0.47 0.00 1.13 2.86 -1.06 -2.05 114.93 115.87 2kax h MET 56 Ca 0.14 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2kax h MET 56 Cb 0.15 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2kax h MET 56 CO -0.02 -0.31 0.00 1.17 1.06 0.00 0.00 176.91 178.81 2kax n LYS 57 N -5.43 0.39 0.10 1.72 0.00 -0.15 -1.22 118.16 113.58 2kax n LYS 57 Ca -0.04 0.06 -0.05 0.00 0.00 0.00 0.00 58.31 58.28 2kax n LYS 57 Cb 0.35 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 33.90 2kax n LYS 57 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kax h SER 58 N 0.00 0.02 0.00 3.14 0.87 0.18 -1.06 113.55 116.71 2kax h SER 58 Ca 0.00 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 2kax h SER 58 Cb 0.18 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2kax h SER 58 CO 0.00 0.83 -0.92 -0.07 -0.53 0.00 0.00 176.83 176.14 2kax h LEU 59 N 0.01 0.00 0.00 2.23 3.38 -1.32 -3.36 115.31 116.25 2kax h LEU 59 Ca -0.01 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2kax h LEU 59 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2kax h LEU 59 CO 0.11 1.33 0.00 -0.67 0.09 0.00 0.00 178.44 179.30 2kax n ASP 60 N -4.49 0.00 -0.25 -0.43 2.03 -0.35 -2.37 116.55 110.68 2kax n ASP 60 Ca -0.26 0.11 0.05 0.00 0.52 0.00 0.00 54.79 55.21 2kax n ASP 60 Cb 0.61 -0.22 0.15 0.00 -0.72 0.00 0.00 41.12 40.94 2kax n ASP 60 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kax h LYS 61 N 0.00 0.11 0.00 -0.67 1.63 -1.33 -3.39 116.57 112.91 2kax h LYS 61 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2kax h LYS 61 Cb 0.04 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2kax h LYS 61 CO 0.00 0.07 0.00 0.09 -3.45 0.00 0.00 179.45 176.16 2kax n ASN 62 N -5.33 0.00 0.00 4.20 4.13 -1.16 -5.08 115.26 112.01 2kax n ASN 62 Ca 0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.39 2kax n ASN 62 Cb 0.47 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.71 2kax n ASN 62 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2kax n SER 63 N 0.00 0.00 0.00 6.41 7.64 -1.00 -4.19 113.62 122.48 2kax n SER 63 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kax n SER 63 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kax n SER 63 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kax n ASP 64 N 1.88 1.09 -4.76 6.43 8.00 -1.26 -0.55 116.55 127.38 2kax n ASP 64 Ca 0.00 -1.25 -0.35 0.00 0.71 0.00 0.00 54.79 53.90 2kax n ASP 64 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2kax n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kax s GLN 65 N -0.25 2.95 0.60 -1.24 -2.07 -1.26 -4.82 119.66 113.58 2kax s GLN 65 Ca 0.00 1.67 -0.14 0.00 -1.82 0.00 0.00 55.36 55.08 2kax s GLN 65 Cb 0.00 -1.94 -0.04 0.00 -1.09 0.00 0.00 33.01 29.94 2kax s GLN 65 CO 0.00 -1.18 1.03 -1.21 -1.32 0.00 0.00 175.29 172.61 2kax s GLU 66 N -3.53 3.48 0.02 9.60 2.02 -1.26 -1.40 118.70 127.63 2kax s GLU 66 Ca 0.74 0.96 0.08 0.00 0.02 0.00 0.00 54.97 56.77 2kax s GLU 66 Cb -0.26 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 2kax s GLU 66 CO 0.34 -0.66 -0.23 0.42 0.02 0.00 0.00 175.26 175.15 2kax s ILE 67 N -2.82 2.37 0.13 -1.63 1.01 0.65 -4.75 121.20 116.17 2kax s ILE 67 Ca 0.59 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 2kax s ILE 67 Cb -0.13 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 2kax s ILE 67 CO 0.44 0.44 0.49 -0.62 0.00 0.00 0.00 174.94 175.68 2kax s ASP 68 N -1.08 6.72 0.65 3.58 -1.08 -1.26 -2.75 116.67 121.45 2kax s ASP 68 Ca 0.12 0.94 0.08 0.00 -0.52 0.00 0.00 52.55 53.17 2kax s ASP 68 Cb -0.10 -2.24 0.39 0.00 -1.46 0.00 0.00 42.92 39.51 2kax s ASP 68 CO 0.02 0.10 1.20 0.15 0.52 0.00 0.00 175.17 177.16 2kax h PHE 69 N 3.45 0.00 -0.14 -5.34 3.04 -1.99 -0.20 116.94 115.76 2kax h PHE 69 Ca -0.48 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.41 2kax h PHE 69 Cb 1.19 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.70 2kax h PHE 69 CO 0.65 0.00 -0.12 0.87 -2.02 0.00 0.00 178.31 177.69 2kax h LYS 70 N 0.00 0.34 -0.53 1.11 1.57 -1.95 -2.18 116.57 114.93 2kax h LYS 70 Ca 0.05 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2kax h LYS 70 Cb 1.85 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.14 2kax h LYS 70 CO -0.00 0.71 0.32 0.93 -0.57 0.00 0.00 179.45 180.84 2kax h GLU 71 N -0.03 0.72 -0.20 3.15 5.08 -1.44 -1.27 114.58 120.60 2kax h GLU 71 Ca 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2kax h GLU 71 Cb 0.64 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2kax h GLU 71 CO 0.03 0.51 0.03 -0.92 -1.00 0.00 0.00 179.01 177.66 2kax h TYR 72 N 0.73 0.35 -0.13 4.33 3.20 -1.51 0.79 116.97 124.73 2kax h TYR 72 Ca 0.19 -0.05 -0.21 0.00 3.14 0.00 0.00 58.73 61.81 2kax h TYR 72 Cb -0.02 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2kax h TYR 72 CO 0.00 0.48 -0.75 0.66 -1.64 0.00 0.00 178.16 176.91 2kax h SER 73 N 0.12 0.77 0.41 -2.11 4.64 -1.24 -1.37 113.55 114.78 2kax h SER 73 Ca 0.06 -0.50 -0.12 0.00 -0.47 0.00 0.00 61.79 60.76 2kax h SER 73 Cb 0.32 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2kax h SER 73 CO 0.00 1.28 -0.52 -0.37 -0.87 0.00 0.00 176.83 176.36 2kax h VAL 74 N 0.45 1.36 -0.06 0.95 -1.51 -1.21 0.20 116.25 116.44 2kax h VAL 74 Ca -0.04 -1.77 -0.22 0.00 -1.23 0.00 0.00 66.70 63.43 2kax h VAL 74 Cb 1.36 1.90 0.02 0.00 -2.13 0.00 0.00 31.29 32.44 2kax h VAL 74 CO 0.15 0.52 -0.84 0.15 -1.23 0.00 0.00 177.57 176.32 2kax h PHE 75 N 0.10 0.95 -0.80 5.19 3.04 -0.82 0.22 116.94 124.81 2kax h PHE 75 Ca 0.00 -0.48 -0.01 0.00 3.98 0.00 0.00 57.97 61.46 2kax h PHE 75 Cb 0.94 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.29 2kax h PHE 75 CO 0.01 1.30 0.45 -0.07 -2.02 0.00 0.00 178.31 177.98 2kax h LEU 76 N 0.33 0.99 -0.50 0.59 3.38 -1.27 -1.48 115.31 117.35 2kax h LEU 76 Ca -0.09 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2kax h LEU 76 Cb 1.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2kax h LEU 76 CO 0.17 0.79 -0.08 0.74 0.09 0.00 0.00 178.44 180.15 2kax h THR 77 N 1.11 1.27 -1.00 0.22 2.02 -0.83 0.27 112.91 115.96 2kax h THR 77 Ca 0.28 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 66.28 2kax h THR 77 Cb 0.01 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 2kax h THR 77 CO -0.05 0.42 0.66 -0.03 0.37 0.00 0.00 175.52 176.90 2kax h MET 78 N 0.79 1.30 -0.14 6.66 1.85 -0.48 0.15 114.93 125.06 2kax h MET 78 Ca 0.13 -0.08 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 2kax h MET 78 Cb 0.62 -0.29 -0.01 0.00 0.43 0.00 0.00 31.60 32.36 2kax h MET 78 CO 0.04 0.86 0.02 1.25 -0.40 0.00 0.00 176.91 178.68 2kax h LEU 79 N 1.34 0.22 -0.53 3.39 7.12 -0.99 -2.90 115.31 122.95 2kax h LEU 79 Ca 0.38 -0.26 0.01 0.00 0.13 0.00 0.00 57.88 58.13 2kax h LEU 79 Cb -0.11 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 39.93 2kax h LEU 79 CO -0.09 0.43 0.35 0.00 -0.13 0.00 0.00 178.44 178.99 2kax h MET 81 N 0.71 0.00 0.00 0.00 -0.00 -0.78 -0.33 114.93 114.52 2kax h MET 81 Ca 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.86 2kax h MET 81 Cb -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.52 2kax h MET 81 CO -0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 176.91 176.72 2kax h ALA 82 N 2.19 1.27 0.00 -3.00 0.00 -1.16 -3.32 119.26 115.24 2kax h ALA 82 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kax h ALA 82 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kax h ALA 82 CO 0.00 0.18 0.00 2.48 0.00 0.00 0.00 179.25 181.91 2kax n TYR 83 N -3.65 0.00 1.12 0.00 0.18 -0.23 -4.70 117.16 109.89 2kax n TYR 83 Ca -0.02 -0.40 0.00 0.00 1.88 0.00 0.00 57.90 59.36 2kax n TYR 83 Cb 0.27 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.19 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 -0.40 0.33 0.18 9.48 5.03 -0.66 -2.30 115.26 126.92 2kax n ASN 84 Ca 0.00 -1.45 0.19 0.00 0.87 0.00 0.00 54.58 54.18 2kax n ASN 84 Cb 0.29 -0.17 0.79 0.00 -1.02 0.00 0.00 39.78 39.67 2kax n ASN 84 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 2kax h ASP 85 N 0.13 0.00 0.00 6.41 3.04 -1.84 -1.46 116.42 122.70 2kax h ASP 85 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2kax h ASP 85 Cb 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.46 2kax h ASP 85 CO 0.00 0.00 0.07 -0.26 -2.04 0.00 0.00 179.24 177.01 2kax h PHE 86 N 0.00 0.00 0.00 4.15 0.04 -1.87 -0.91 116.94 118.35 2kax h PHE 86 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2kax h PHE 86 Cb 0.83 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.98 2kax h PHE 86 CO 0.00 0.00 -0.45 0.74 -0.60 0.00 0.00 178.31 178.00 2kax h PHE 87 N 0.00 0.00 0.00 -0.55 0.04 -1.55 -3.47 116.94 111.42 2kax h PHE 87 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kax h PHE 87 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2kax h PHE 87 CO 0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 2kax n LEU 88 N -2.56 0.00 0.00 1.54 7.99 -0.35 -5.07 117.00 118.55 2kax n LEU 88 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 2kax n LEU 88 Cb 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 2kax n LEU 88 CO 0.36 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.62 2kax n GLU 89 N 0.00 1.03 0.00 3.23 4.71 -1.26 -5.13 120.64 123.22 2kax n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2kax n GLU 89 Cb 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 31.44 30.34 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2kax n ASP 90 N 0.00 0.00 -4.57 1.62 2.03 -1.26 -5.08 116.55 109.28 2kax n ASP 90 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 2kax n ASP 90 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2kax n ASP 90 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kax s ASN 91 N 0.00 4.17 0.00 1.67 2.47 -1.26 -5.04 114.94 116.94 2kax s ASN 91 Ca 0.00 -1.00 0.00 0.00 0.42 0.00 0.00 52.86 52.28 2kax s ASN 91 Cb 0.00 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 2kax s ASN 91 CO 0.00 -3.91 0.38 0.29 -3.72 0.00 0.00 177.10 170.14