#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 0.61 -3.17 3.17 4.71 -1.26 -5.06 120.64 119.64 2kax n GLU 2 Ca 0.00 0.22 -0.21 0.00 -0.01 0.00 0.00 57.16 57.16 2kax n GLU 2 Cb 0.00 -1.49 0.01 0.00 -1.01 0.00 0.00 31.44 28.94 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 -2.51 3.83 0.06 2.62 -4.23 -1.26 -5.03 115.64 109.12 2kax s THR 3 Ca -0.37 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 59.30 2kax s THR 3 Cb 0.13 -3.37 -0.30 0.00 1.34 0.00 0.00 72.50 70.30 2kax s THR 3 CO 0.52 -0.20 1.08 1.55 -0.54 0.00 0.00 174.62 177.03 2kax h PRO 4 N 0.60 0.34 -0.06 3.99 0.13 -2.00 -3.07 132.00 131.93 2kax h PRO 4 Ca -0.45 -0.58 -0.17 0.00 -0.87 0.00 0.00 66.00 63.93 2kax h PRO 4 Cb 1.26 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.60 2kax h PRO 4 CO 0.54 1.27 -0.71 1.25 -0.23 0.00 0.00 178.00 180.12 2kax h LEU 5 N 0.09 0.36 -1.19 1.56 5.85 -1.99 -1.02 115.31 118.96 2kax h LEU 5 Ca -0.18 -0.23 0.20 0.00 0.84 0.00 0.00 57.88 58.51 2kax h LEU 5 Cb 2.03 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.86 2kax h LEU 5 CO 0.22 0.95 0.61 -0.08 -0.34 0.00 0.00 178.44 179.80 2kax h GLU 6 N 0.21 0.62 0.00 1.25 4.81 -1.98 -0.43 114.58 119.06 2kax h GLU 6 Ca -0.02 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2kax h GLU 6 Cb 1.26 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2kax h GLU 6 CO 0.11 0.41 -0.26 0.87 -0.73 0.00 0.00 179.01 179.42 2kax h LYS 7 N 0.64 0.00 -0.03 1.92 1.79 -1.09 0.44 116.57 120.24 2kax h LYS 7 Ca 0.54 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.84 2kax h LYS 7 Cb 1.01 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.67 2kax h LYS 7 CO -0.31 0.26 -0.64 0.00 -1.08 0.00 0.00 179.45 177.68 2kax h ALA 8 N 1.74 0.12 -0.75 3.86 0.00 -0.81 0.22 119.26 123.65 2kax h ALA 8 Ca -0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2kax h ALA 8 Cb 0.83 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2kax h ALA 8 CO 0.03 0.41 0.43 -0.07 0.00 0.00 0.00 179.25 180.06 2kax h LEU 9 N 0.04 0.91 -0.20 0.00 -0.00 -1.06 -0.92 115.31 114.08 2kax h LEU 9 Ca -0.07 -0.08 0.06 0.00 -0.00 0.00 0.00 57.88 57.79 2kax h LEU 9 Cb 1.33 -0.23 -0.07 0.00 -0.00 0.00 0.00 40.66 41.69 2kax h LEU 9 CO 0.13 0.73 -0.28 0.74 -0.00 0.00 0.00 178.44 179.75 2kax h THR 10 N 1.02 0.34 -0.86 0.22 2.02 -0.91 -0.69 112.91 114.05 2kax h THR 10 Ca 0.27 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.57 2kax h THR 10 Cb -0.00 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 66.66 2kax h THR 10 CO -0.05 0.00 0.48 0.74 0.37 0.00 0.00 175.52 177.06 2kax h THR 11 N -0.31 0.82 -0.25 3.16 2.02 -0.40 0.22 112.91 118.16 2kax h THR 11 Ca 0.12 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2kax h THR 11 Cb 0.50 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2kax h THR 11 CO -0.38 0.13 0.01 0.24 0.37 0.00 0.00 175.52 175.89 2kax h MET 12 N 0.73 0.44 -0.38 6.66 2.07 -0.57 -0.97 114.93 122.91 2kax h MET 12 Ca 0.44 -0.14 -0.09 0.00 -2.07 0.00 0.00 59.70 57.85 2kax h MET 12 Cb 0.53 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.20 2kax h MET 12 CO -0.31 0.60 -0.13 -0.39 1.07 0.00 0.00 176.91 177.76 2kax h VAL 13 N 0.23 1.25 0.06 -2.22 -1.51 -0.44 -1.62 116.25 112.01 2kax h VAL 13 Ca 0.07 -1.15 -0.00 0.00 -1.23 0.00 0.00 66.70 64.39 2kax h VAL 13 Cb 0.40 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 2kax h VAL 13 CO 0.01 0.39 -0.03 0.74 -1.23 0.00 0.00 177.57 177.45 2kax h THR 14 N 0.61 0.96 -0.06 7.19 2.02 -0.88 -0.29 112.91 122.47 2kax h THR 14 Ca 0.10 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 2kax h THR 14 Cb 0.58 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2kax h THR 14 CO 0.04 0.02 -0.41 0.71 0.37 0.00 0.00 175.52 176.25 2kax h THR 15 N -0.12 1.31 -0.11 3.16 1.35 -1.10 -0.35 112.91 117.05 2kax h THR 15 Ca -0.01 -1.48 -0.03 0.00 -0.55 0.00 0.00 66.41 64.34 2kax h THR 15 Cb 0.10 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2kax h THR 15 CO 0.01 0.43 -0.06 0.15 -0.25 0.00 0.00 175.52 175.81 2kax h PHE 16 N 0.11 0.26 0.00 4.73 3.04 -1.24 -3.18 116.94 120.66 2kax h PHE 16 Ca 0.01 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 2kax h PHE 16 Cb 0.78 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.23 2kax h PHE 16 CO 0.01 0.58 -0.08 1.25 -2.02 0.00 0.00 178.31 178.05 2kax h HIS 17 N -0.14 0.00 -0.08 0.41 2.76 -0.77 -2.57 115.15 114.76 2kax h HIS 17 Ca 0.02 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 2kax h HIS 17 Cb 0.52 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.47 2kax h HIS 17 CO 0.07 0.08 0.12 -0.22 -1.30 0.00 0.00 177.93 176.69 2kax h LYS 18 N 0.00 0.00 0.00 5.26 3.11 -1.04 -2.24 116.57 121.66 2kax h LYS 18 Ca -0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 2kax h LYS 18 Cb 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 2kax h LYS 18 CO 0.01 0.00 -1.77 0.66 -2.81 0.00 0.00 179.45 175.55 2kax n TYR 19 N -3.56 0.00 0.27 1.91 4.02 -0.98 -4.29 117.16 114.53 2kax n TYR 19 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.98 2kax n TYR 19 Cb 0.22 -0.41 0.72 0.00 -0.02 0.00 0.00 39.34 39.84 2kax n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2kax h SER 20 N 0.00 0.00 -2.32 7.72 4.64 -1.29 -3.29 113.55 119.00 2kax h SER 20 Ca -0.05 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.72 2kax h SER 20 Cb 0.89 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.90 2kax h SER 20 CO 0.00 0.05 1.07 -0.83 -0.87 0.00 0.00 176.83 176.25 2kax s GLY 21 N -4.12 0.90 0.19 -0.77 0.00 -0.89 -3.52 107.32 99.11 2kax s GLY 21 Ca -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2kax s GLY 21 CO 0.63 2.65 0.00 -0.96 0.00 0.00 0.00 173.10 175.41 2kax n ARG 22 N 9.35 0.00 0.00 2.90 1.85 -1.24 -4.95 116.66 124.57 2kax n ARG 22 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 2kax n ARG 22 Cb 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 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 -2.98 0.00 -3.08 2.89 1.02 -1.26 -5.14 120.64 112.09 2kax n GLU 23 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2kax n GLU 23 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 2kax n GLU 23 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kax s GLY 24 N -0.37 1.79 -0.05 0.62 0.00 -1.26 -4.99 107.32 103.07 2kax s GLY 24 Ca 0.00 -2.04 -0.00 0.00 0.00 0.00 0.00 44.72 42.68 2kax s GLY 24 CO 0.00 -1.68 0.05 1.44 0.00 0.00 0.00 173.10 172.91 2kax n SER 25 N -2.16 -2.40 0.00 1.64 7.64 -1.26 -4.84 113.62 112.24 2kax n SER 25 Ca 0.14 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.09 2kax n SER 25 Cb 0.61 -1.30 0.43 0.00 -1.01 0.00 0.00 64.21 62.95 2kax n SER 25 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kax n LYS 26 N -0.98 0.41 -0.04 1.43 2.85 -1.23 -2.98 118.16 117.62 2kax n LYS 26 Ca 0.00 0.04 0.05 0.00 -1.05 0.00 0.00 58.31 57.35 2kax n LYS 26 Cb 0.44 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.15 2kax n LYS 26 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2kax n LEU 27 N -1.08 0.00 0.00 -5.58 -0.00 -1.26 -4.88 117.00 104.20 2kax n LEU 27 Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.05 2kax n LEU 27 Cb 0.07 0.14 0.01 0.00 -0.00 0.00 0.00 43.42 43.65 2kax n LEU 27 CO 0.09 0.14 0.32 0.35 -0.00 0.00 0.00 177.39 178.29 2kax n THR 28 N -2.39 0.00 -3.86 1.47 -2.24 -1.16 -4.81 114.28 101.29 2kax n THR 28 Ca -0.12 -0.73 -0.09 0.00 -2.27 0.00 0.00 64.05 60.84 2kax n THR 28 Cb 0.73 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2kax n THR 28 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kax s LEU 29 N 0.00 0.06 0.44 3.22 2.34 -1.09 -3.99 118.68 119.65 2kax s LEU 29 Ca 0.12 -1.04 0.00 0.00 0.06 0.00 0.00 54.13 53.28 2kax s LEU 29 Cb -0.03 2.63 -0.01 0.00 -0.56 0.00 0.00 46.19 48.22 2kax s LEU 29 CO 0.09 -1.54 0.66 -0.94 -1.06 0.00 0.00 176.35 173.56 2kax s SER 30 N -3.05 5.87 0.52 1.48 1.04 -1.26 -0.66 113.70 117.65 2kax s SER 30 Ca 0.16 0.30 0.22 0.00 0.48 0.00 0.00 55.95 57.11 2kax s SER 30 Cb -0.05 -1.57 1.34 0.00 0.10 0.00 0.00 66.02 65.85 2kax s SER 30 CO 0.11 -0.67 2.05 0.03 0.98 0.00 0.00 173.24 175.74 2kax h ARG 31 N 0.43 0.01 0.01 4.02 2.47 -1.51 -0.50 114.38 119.30 2kax h ARG 31 Ca -0.46 -0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.04 2kax h ARG 31 Cb 1.25 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.54 2kax h ARG 31 CO 0.57 0.01 -1.03 0.87 0.56 0.00 0.00 179.97 180.96 2kax h LYS 32 N 0.01 0.01 -0.07 0.04 6.56 -1.78 -1.34 116.57 120.00 2kax h LYS 32 Ca 0.17 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.73 2kax h LYS 32 Cb 0.65 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2kax h LYS 32 CO -0.00 1.00 0.00 0.93 -2.06 0.00 0.00 179.45 179.32 2kax h GLU 33 N 0.00 0.12 -0.17 3.15 4.39 -1.69 -2.53 114.58 117.85 2kax h GLU 33 Ca -0.02 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2kax h GLU 33 Cb 1.78 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 30.36 2kax h GLU 33 CO 0.13 0.39 -0.23 1.25 -1.16 0.00 0.00 179.01 179.39 2kax h LEU 34 N -0.16 -0.72 -1.78 1.33 5.85 -1.17 0.58 115.31 119.24 2kax h LEU 34 Ca 0.02 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2kax h LEU 34 Cb 0.33 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2kax h LEU 34 CO 0.00 -0.27 0.28 0.07 -0.34 0.00 0.00 178.44 178.18 2kax h LYS 35 N -0.27 0.26 0.07 1.25 5.09 -1.23 -1.53 116.57 120.21 2kax h LYS 35 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 60.65 60.83 2kax h LYS 35 Cb 0.44 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 32.71 2kax h LYS 35 CO -0.32 0.17 -0.03 1.49 -2.09 0.00 0.00 179.45 178.67 2kax h GLU 36 N 0.27 -0.08 -0.87 0.07 4.57 -0.90 -3.34 114.58 114.29 2kax h GLU 36 Ca 0.19 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.55 2kax h GLU 36 Cb 0.39 0.02 -0.17 0.00 -0.16 0.00 0.00 28.75 28.83 2kax h GLU 36 CO -0.04 0.50 -0.22 1.25 -1.18 0.00 0.00 179.01 179.32 2kax h LEU 37 N -0.80 -0.81 -2.03 1.64 5.85 -0.39 0.42 115.31 119.19 2kax h LEU 37 Ca -0.01 0.26 0.12 0.00 0.84 0.00 0.00 57.88 59.10 2kax h LEU 37 Cb 0.62 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2kax h LEU 37 CO 0.01 -0.29 0.33 0.40 -0.34 0.00 0.00 178.44 178.56 2kax h ILE 38 N -0.00 0.67 -0.00 4.05 2.04 -1.42 -2.24 117.51 120.61 2kax h ILE 38 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2kax h ILE 38 Cb 0.64 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2kax h ILE 38 CO -0.90 0.00 -0.43 0.29 0.00 0.00 0.00 178.15 177.11 2kax n LYS 39 N -4.23 2.67 -0.06 2.37 4.76 -0.04 -4.13 118.16 119.50 2kax n LYS 39 Ca 0.07 -0.27 -0.02 0.00 -2.87 0.00 0.00 58.31 55.22 2kax n LYS 39 Cb 0.53 -1.09 -0.01 0.00 -1.84 0.00 0.00 35.03 32.61 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 0.54 0.00 0.00 1.97 1.79 -0.55 -3.39 116.57 116.94 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 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2kax h LYS 40 CO 0.00 0.08 0.00 0.39 -1.08 0.00 0.00 179.45 178.84 2kax n GLU 41 N -4.72 0.24 -4.91 3.15 -0.58 -0.89 -4.80 120.64 108.13 2kax n GLU 41 Ca -0.03 0.02 -0.29 0.00 -0.42 0.00 0.00 57.16 56.44 2kax n GLU 41 Cb 0.11 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.33 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2kax s LEU 42 N -2.75 2.14 0.00 -4.62 1.98 -1.26 -5.10 118.68 109.07 2kax s LEU 42 Ca 0.22 -0.54 0.00 0.00 -2.89 0.00 0.00 54.13 50.92 2kax s LEU 42 Cb 0.19 -1.20 0.00 0.00 0.66 0.00 0.00 46.19 45.84 2kax s LEU 42 CO 0.47 0.24 0.00 0.00 -1.89 0.00 0.00 176.35 175.17 2kax n LEU 44 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.96 117.00 110.78 2kax n LEU 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2kax n LEU 44 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2kax n LEU 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 2kax n GLY 45 N 0.00 0.64 0.30 -3.96 0.00 -1.26 -4.77 105.19 96.13 2kax n GLY 45 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 6.01 0.00 0.26 1.61 0.28 -1.26 -4.90 120.64 122.64 2kax n GLU 46 Ca 0.00 -0.01 0.09 0.00 -0.16 0.00 0.00 57.16 57.08 2kax n GLU 46 Cb 0.00 -0.01 0.67 0.00 1.43 0.00 0.00 31.44 33.53 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 0.00 0.00 -5.84 3.44 2.86 -2.01 -3.32 114.93 110.06 2kax h MET 47 Ca 0.00 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.97 2kax h MET 47 Cb 1.00 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.56 2kax h MET 47 CO 0.00 0.00 -0.55 0.15 1.06 0.00 0.00 176.91 177.57 2kax s LYS 48 N -5.03 3.20 0.00 1.72 -0.14 -1.26 -5.08 119.74 113.15 2kax s LYS 48 Ca -0.05 -0.31 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 2kax s LYS 48 Cb 0.17 -2.98 0.00 0.00 -1.68 0.00 0.00 37.83 33.34 2kax s LYS 48 CO 0.66 0.72 0.00 -0.85 -0.76 0.00 0.00 175.35 175.12 2kax n GLU 49 N 1.81 0.00 0.07 1.68 -0.00 -1.25 -4.66 120.64 118.29 2kax n GLU 49 Ca -0.18 0.00 0.20 0.00 -0.00 0.00 0.00 57.16 57.19 2kax n GLU 49 Cb 0.54 0.00 0.74 0.00 -0.00 0.00 0.00 31.44 32.72 2kax n GLU 49 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2kax h SER 50 N 0.00 0.00 0.08 -1.84 0.02 -1.96 0.30 113.55 110.15 2kax h SER 50 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kax h SER 50 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kax h SER 50 CO 0.00 0.00 0.00 -0.24 -1.14 0.00 0.00 176.83 175.45 2kax n SER 51 N -3.93 0.00 -0.01 3.07 2.88 -1.26 -1.05 113.62 113.32 2kax n SER 51 Ca 0.08 -0.09 -0.01 0.00 -1.33 0.00 0.00 58.87 57.51 2kax n SER 51 Cb 0.58 -0.13 -0.01 0.00 -0.75 0.00 0.00 64.21 63.90 2kax n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kax n ILE 52 N -1.13 0.14 0.28 2.46 3.06 -0.07 -4.82 119.36 119.27 2kax n ILE 52 Ca 0.06 -0.06 0.15 0.00 -2.50 0.00 0.00 62.75 60.40 2kax n ILE 52 Cb 0.05 -0.73 0.80 0.00 0.54 0.00 0.00 39.64 40.30 2kax n ILE 52 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2kax h ASP 53 N 0.00 0.00 -0.67 9.51 3.58 -0.84 -0.71 116.42 127.29 2kax h ASP 53 Ca -0.05 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.49 2kax h ASP 53 Cb 1.10 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.07 2kax h ASP 53 CO -0.00 0.08 0.31 -0.78 -2.88 0.00 0.00 179.24 175.96 2kax h ASP 54 N 0.00 0.37 -0.22 2.28 3.58 -1.36 0.34 116.42 121.41 2kax h ASP 54 Ca -0.00 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.39 2kax h ASP 54 Cb 0.32 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 2kax h ASP 54 CO 0.01 0.21 -0.35 -0.07 -2.88 0.00 0.00 179.24 176.16 2kax h LEU 55 N 0.52 0.69 -1.68 2.28 3.38 -1.42 -0.24 115.31 118.84 2kax h LEU 55 Ca 0.34 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2kax h LEU 55 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kax h LEU 55 CO -0.29 1.08 -0.19 0.24 0.09 0.00 0.00 178.44 179.37 2kax h MET 56 N 0.32 0.00 0.00 1.13 2.86 -1.07 -0.88 114.93 117.29 2kax h MET 56 Ca 0.02 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 2kax h MET 56 Cb 0.94 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2kax h MET 56 CO 0.08 0.19 -0.81 -0.22 1.06 0.00 0.00 176.91 177.21 2kax h LYS 57 N 0.00 0.00 -0.56 1.72 1.63 -0.04 -2.87 116.57 116.44 2kax h LYS 57 Ca -0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 2kax h LYS 57 Cb 0.39 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2kax h LYS 57 CO 0.02 0.81 0.18 1.03 -3.45 0.00 0.00 179.45 178.05 2kax h SER 58 N 0.00 0.82 0.11 4.20 0.87 -0.58 -2.47 113.55 116.50 2kax h SER 58 Ca -0.01 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2kax h SER 58 Cb 1.60 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2kax h SER 58 CO 0.11 0.81 0.00 0.18 -0.53 0.00 0.00 176.83 177.40 2kax n LEU 59 N -4.43 0.00 -0.88 2.23 4.77 -0.38 -2.40 117.00 115.91 2kax n LEU 59 Ca 0.03 0.30 0.07 0.00 -0.03 0.00 0.00 56.01 56.38 2kax n LEU 59 Cb 0.20 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 41.24 2kax n LEU 59 CO 0.40 -0.25 0.70 -0.67 -1.33 0.00 0.00 177.39 176.24 2kax n ASP 60 N -1.30 3.66 -0.13 -1.43 2.03 -0.93 -4.36 116.55 114.07 2kax n ASP 60 Ca 0.02 -3.11 -0.23 0.00 0.52 0.00 0.00 54.79 51.99 2kax n ASP 60 Cb 0.05 -0.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.78 2kax n ASP 60 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kax n LYS 61 N -0.64 0.62 -3.11 -0.67 4.76 -1.01 -4.85 118.16 113.27 2kax n LYS 61 Ca 0.23 0.21 -0.20 0.00 -2.87 0.00 0.00 58.31 55.67 2kax n LYS 61 Cb 0.90 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.55 2kax n LYS 61 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2kax n ASN 62 N -3.72 1.76 0.17 4.39 4.13 -1.26 -5.00 115.26 115.73 2kax n ASN 62 Ca -0.50 -3.17 0.12 0.00 1.68 0.00 0.00 54.58 52.72 2kax n ASN 62 Cb 0.94 -0.60 0.20 0.00 -1.54 0.00 0.00 39.78 38.78 2kax n ASN 62 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2kax h SER 63 N 2.99 0.00 -0.17 6.41 4.64 -1.89 -3.35 113.55 122.17 2kax h SER 63 Ca 0.10 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 2kax h SER 63 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 2kax h SER 63 CO 0.58 0.01 -0.03 0.47 -0.87 0.00 0.00 176.83 176.99 2kax n ASP 64 N -2.82 3.13 -4.66 4.97 9.92 -1.26 -2.20 116.55 123.63 2kax n ASP 64 Ca 0.04 -3.16 -0.24 0.00 -0.53 0.00 0.00 54.79 50.89 2kax n ASP 64 Cb 0.51 -0.52 -0.07 0.00 -0.64 0.00 0.00 41.12 40.40 2kax n ASP 64 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kax s GLN 65 N -2.91 2.37 0.57 -1.24 -0.21 -1.26 -5.05 119.66 111.92 2kax s GLN 65 Ca 0.39 -1.29 -0.13 0.00 0.02 0.00 0.00 55.36 54.34 2kax s GLN 65 Cb 0.33 -2.25 -0.06 0.00 1.00 0.00 0.00 33.01 32.03 2kax s GLN 65 CO 0.05 0.40 1.00 -1.21 -2.12 0.00 0.00 175.29 173.41 2kax s GLU 66 N -3.44 3.76 0.03 2.91 2.02 -1.26 -3.67 118.70 119.05 2kax s GLU 66 Ca 0.30 0.83 -0.01 0.00 0.02 0.00 0.00 54.97 56.11 2kax s GLU 66 Cb -0.07 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 2kax s GLU 66 CO 0.20 -0.42 -0.02 0.96 0.02 0.00 0.00 175.26 176.00 2kax s ILE 67 N -2.90 0.15 0.55 -1.63 -4.36 0.17 -4.92 121.20 108.25 2kax s ILE 67 Ca 0.57 -1.26 0.05 0.00 -0.26 0.00 0.00 60.65 59.75 2kax s ILE 67 Cb -0.10 -0.77 0.04 0.00 1.25 0.00 0.00 42.46 42.87 2kax s ILE 67 CO 0.43 -0.69 0.40 1.51 0.24 0.00 0.00 174.94 176.83 2kax s ASP 68 N -2.05 4.63 0.60 4.36 -4.77 -1.26 -2.69 116.67 115.50 2kax s ASP 68 Ca -0.07 -1.25 0.30 0.00 -3.30 0.00 0.00 52.55 48.23 2kax s ASP 68 Cb -0.03 0.43 1.72 0.00 -1.09 0.00 0.00 42.92 43.95 2kax s ASP 68 CO -0.05 -1.11 2.10 0.15 0.70 0.00 0.00 175.17 176.96 2kax h PHE 69 N 0.75 0.00 0.47 2.11 3.57 -1.99 -2.81 116.94 119.02 2kax h PHE 69 Ca -0.37 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 2kax h PHE 69 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 2kax h PHE 69 CO 0.98 0.00 -0.22 -0.22 -2.23 0.00 0.00 178.31 176.62 2kax h LYS 70 N 0.00 -0.60 -0.53 1.11 3.64 -1.98 -0.56 116.57 117.64 2kax h LYS 70 Ca 0.08 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2kax h LYS 70 Cb 0.49 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 2kax h LYS 70 CO -0.00 -0.30 0.18 0.93 -2.27 0.00 0.00 179.45 177.99 2kax h GLU 71 N -0.96 0.79 -0.06 1.90 5.08 -1.92 -0.65 114.58 118.76 2kax h GLU 71 Ca -0.06 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2kax h GLU 71 Cb 0.58 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2kax h GLU 71 CO 0.10 0.68 0.04 -0.92 -1.00 0.00 0.00 179.01 177.91 2kax h TYR 72 N 0.77 0.07 -0.55 4.33 3.20 -1.57 -1.71 116.97 121.51 2kax h TYR 72 Ca 0.18 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 2kax h TYR 72 Cb 0.21 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2kax h TYR 72 CO 0.01 0.05 0.03 0.66 -1.64 0.00 0.00 178.16 177.28 2kax h SER 73 N 0.07 0.89 0.51 -2.11 4.64 0.01 -0.68 113.55 116.88 2kax h SER 73 Ca 0.02 -0.22 -0.16 0.00 -0.47 0.00 0.00 61.79 60.97 2kax h SER 73 Cb 0.00 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 2kax h SER 73 CO -0.00 0.93 -0.69 -0.37 -0.87 0.00 0.00 176.83 175.83 2kax h VAL 74 N 0.86 1.44 -0.01 0.95 -1.51 -1.17 0.47 116.25 117.27 2kax h VAL 74 Ca 0.17 -2.23 -0.00 0.00 -1.23 0.00 0.00 66.70 63.41 2kax h VAL 74 Cb 0.46 2.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 2kax h VAL 74 CO 0.02 0.65 -0.01 0.15 -1.23 0.00 0.00 177.57 177.15 2kax h PHE 75 N 0.10 0.04 -0.56 5.19 3.04 -1.00 0.12 116.94 123.87 2kax h PHE 75 Ca -0.01 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.87 2kax h PHE 75 Cb 1.22 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.70 2kax h PHE 75 CO 0.02 0.45 0.13 -0.07 -2.02 0.00 0.00 178.31 176.82 2kax h LEU 76 N -0.39 0.80 -0.08 0.59 3.38 -1.14 0.92 115.31 119.40 2kax h LEU 76 Ca 0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2kax h LEU 76 Cb 0.44 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2kax h LEU 76 CO 0.00 0.78 -0.09 0.74 0.09 0.00 0.00 178.44 179.97 2kax h THR 77 N 0.82 1.37 -0.88 0.22 2.02 -0.91 -0.09 112.91 115.47 2kax h THR 77 Ca 0.18 -1.26 0.08 0.00 0.77 0.00 0.00 66.41 66.18 2kax h THR 77 Cb 0.30 2.02 -0.07 0.00 -1.74 0.00 0.00 68.15 68.66 2kax h THR 77 CO -0.00 0.35 0.53 -0.03 0.37 0.00 0.00 175.52 176.74 2kax h MET 78 N -0.22 0.89 -0.15 6.66 1.85 -0.62 0.15 114.93 123.49 2kax h MET 78 Ca 0.01 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 59.01 2kax h MET 78 Cb 0.61 -0.20 -0.00 0.00 0.43 0.00 0.00 31.60 32.44 2kax h MET 78 CO 0.02 0.59 -0.04 1.25 -0.40 0.00 0.00 176.91 178.33 2kax h LEU 79 N 0.91 0.29 -1.42 3.39 5.85 -0.76 -1.33 115.31 122.25 2kax h LEU 79 Ca 0.41 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2kax h LEU 79 Cb 0.30 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2kax h LEU 79 CO -0.22 0.60 -0.20 0.00 -0.34 0.00 0.00 178.44 178.28 2kax n MET 81 N -4.24 0.14 0.00 0.00 0.00 0.50 -1.59 117.12 111.93 2kax n MET 81 Ca -0.01 0.35 0.15 0.00 -0.00 0.00 0.00 57.70 58.19 2kax n MET 81 Cb 0.30 -1.76 0.86 0.00 0.00 0.00 0.00 33.22 32.61 2kax n MET 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kax n ALA 82 N -1.69 2.63 -1.83 -5.12 0.00 -0.45 -4.37 120.51 109.67 2kax n ALA 82 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2kax n ALA 82 Cb 0.23 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.02 0.00 1.11 0.00 0.18 -1.11 -4.85 117.16 111.47 2kax n TYR 83 Ca 0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.98 2kax n TYR 83 Cb 0.17 0.23 0.00 0.00 -0.38 0.00 0.00 39.34 39.36 2kax n TYR 83 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2kax n ASN 84 N 0.00 0.69 0.00 9.48 6.94 -0.62 -3.89 115.26 127.86 2kax n ASN 84 Ca 0.00 -1.81 0.04 0.00 -0.02 0.00 0.00 54.58 52.79 2kax n ASN 84 Cb 0.42 -0.35 0.20 0.00 -2.36 0.00 0.00 39.78 37.69 2kax n ASN 84 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2kax n ASP 85 N -0.08 0.00 0.10 0.53 8.00 -1.26 -1.39 116.55 122.45 2kax n ASP 85 Ca 0.00 0.23 0.09 0.00 0.71 0.00 0.00 54.79 55.82 2kax n ASP 85 Cb 0.17 -0.33 0.42 0.00 -0.02 0.00 0.00 41.12 41.36 2kax n ASP 85 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2kax n PHE 86 N -1.33 0.53 -1.98 1.24 3.72 -1.25 -3.88 117.46 114.51 2kax n PHE 86 Ca 0.03 0.24 0.05 0.00 -0.05 0.00 0.00 57.45 57.72 2kax n PHE 86 Cb 0.07 -0.88 0.08 0.00 -0.94 0.00 0.00 39.48 37.82 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 -2.01 0.00 -2.54 1.38 3.72 -0.48 -5.09 117.46 112.44 2kax n PHE 87 Ca 0.01 -0.75 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 2kax n PHE 87 Cb 0.12 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 2kax n PHE 87 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 2kax n LEU 88 N -0.29 0.00 0.00 4.37 -0.00 -1.25 -5.08 117.00 114.75 2kax n LEU 88 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 2kax n LEU 88 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.30 2kax n LEU 88 CO -0.03 -0.17 -0.38 -0.62 -0.00 0.00 0.00 177.39 176.20 2kax n GLU 89 N -0.34 1.28 -3.61 1.47 -0.58 -1.26 -5.13 120.64 112.48 2kax n GLU 89 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 2kax n GLU 89 Cb 0.00 -0.88 -0.07 0.00 -0.57 0.00 0.00 31.44 29.92 2kax n GLU 89 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2kax s ASP 90 N -3.24 -0.73 -0.52 1.62 -4.77 -1.26 -5.09 116.67 102.68 2kax s ASP 90 Ca 0.00 1.29 -0.27 0.00 -3.30 0.00 0.00 52.55 50.27 2kax s ASP 90 Cb 0.00 1.26 0.03 0.00 -1.09 0.00 0.00 42.92 43.13 2kax s ASP 90 CO 0.00 -0.33 1.06 0.21 0.70 0.00 0.00 175.17 176.81 2kax s ASN 91 N 0.04 6.49 0.00 2.11 2.47 -1.26 -5.21 114.94 119.57 2kax s ASN 91 Ca -0.02 0.11 0.13 0.00 0.42 0.00 0.00 52.86 53.50 2kax s ASN 91 Cb -0.04 -2.50 0.75 0.00 -1.45 0.00 0.00 41.25 38.01 2kax s ASN 91 CO 0.03 -1.26 1.18 1.17 -3.72 0.00 0.00 177.10 174.50