#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 -2.36 2.12 -0.58 -1.26 -5.08 120.64 113.48 2kax n GLU 2 Ca 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 2kax n GLU 2 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2kax s THR 3 N 0.00 3.56 0.51 2.62 -4.23 -1.26 -4.93 115.64 111.91 2kax s THR 3 Ca 0.00 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.75 2kax s THR 3 Cb 0.00 -3.42 0.29 0.00 1.34 0.00 0.00 72.50 70.70 2kax s THR 3 CO 0.00 -0.44 2.14 1.55 -0.54 0.00 0.00 174.62 177.33 2kax h PRO 4 N -0.22 0.00 0.00 3.99 0.13 -2.00 -2.68 132.00 131.23 2kax h PRO 4 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2kax h PRO 4 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2kax h PRO 4 CO 0.61 0.07 -0.82 1.25 -0.23 0.00 0.00 178.00 178.87 2kax h LEU 5 N 0.00 0.00 -1.79 1.56 6.46 -2.00 -2.04 115.31 117.50 2kax h LEU 5 Ca -0.00 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 2kax h LEU 5 Cb 0.15 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 2kax h LEU 5 CO 0.01 0.69 0.28 1.05 -0.62 0.00 0.00 178.44 179.85 2kax h GLU 6 N 0.00 0.25 0.00 1.25 -0.00 -1.84 -0.77 114.58 113.46 2kax h GLU 6 Ca -0.04 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.36 59.25 2kax h GLU 6 Cb 1.56 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 30.25 2kax h GLU 6 CO 0.08 0.16 -0.27 0.87 -0.00 0.00 0.00 179.01 179.85 2kax h LYS 7 N 0.26 0.00 0.58 1.06 1.79 -1.10 -0.93 116.57 118.23 2kax h LYS 7 Ca 0.18 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 2kax h LYS 7 Cb 0.40 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.05 2kax h LYS 7 CO -0.04 0.27 -0.28 0.00 -1.08 0.00 0.00 179.45 178.33 2kax h ALA 8 N 1.73 -0.77 -0.86 3.86 0.00 -0.95 -1.30 119.26 120.95 2kax h ALA 8 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kax h ALA 8 Cb 0.52 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2kax h ALA 8 CO 0.04 -0.87 0.48 -0.07 0.00 0.00 0.00 179.25 178.83 2kax h LEU 9 N -0.90 1.07 -0.70 0.00 -0.00 -1.30 -2.19 115.31 111.29 2kax h LEU 9 Ca -0.08 -0.09 -0.09 0.00 -0.00 0.00 0.00 57.88 57.62 2kax h LEU 9 Cb 0.64 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 2kax h LEU 9 CO 0.13 0.86 0.02 0.71 -0.00 0.00 0.00 178.44 180.16 2kax h THR 10 N 1.20 1.26 -0.35 0.22 1.35 -1.20 -2.08 112.91 113.31 2kax h THR 10 Ca 0.31 -1.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.05 2kax h THR 10 Cb 0.02 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 2kax h THR 10 CO -0.05 0.40 0.18 0.74 -0.25 0.00 0.00 175.52 176.54 2kax h THR 11 N 0.94 1.12 0.19 6.82 2.02 -0.90 -1.92 112.91 121.17 2kax h THR 11 Ca 0.17 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2kax h THR 11 Cb 0.52 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2kax h THR 11 CO 0.03 0.13 -0.09 0.24 0.37 0.00 0.00 175.52 176.20 2kax h MET 12 N 0.48 -0.25 -0.02 6.66 2.07 -0.96 -2.79 114.93 120.12 2kax h MET 12 Ca 0.12 0.02 -0.03 0.00 -2.07 0.00 0.00 59.70 57.74 2kax h MET 12 Cb 0.04 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 2kax h MET 12 CO -0.02 0.14 -0.14 -0.39 1.07 0.00 0.00 176.91 177.57 2kax h VAL 13 N -0.90 1.12 0.04 -2.22 -1.51 -1.37 -0.56 116.25 110.85 2kax h VAL 13 Ca -0.03 -0.56 -0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2kax h VAL 13 Cb 0.50 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2kax h VAL 13 CO 0.04 0.16 -0.02 0.74 -1.23 0.00 0.00 177.57 177.27 2kax h THR 14 N 0.04 1.26 -0.59 7.19 2.02 -1.42 -1.58 112.91 119.82 2kax h THR 14 Ca 0.01 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.13 2kax h THR 14 Cb 0.28 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 2kax h THR 14 CO 0.02 0.25 0.02 0.74 0.37 0.00 0.00 175.52 176.92 2kax h THR 15 N -0.48 1.26 -0.55 3.16 2.02 -1.34 -2.58 112.91 114.41 2kax h THR 15 Ca -0.00 -1.11 0.04 0.00 0.77 0.00 0.00 66.41 66.11 2kax h THR 15 Cb 0.44 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2kax h THR 15 CO 0.01 0.40 0.36 0.15 0.37 0.00 0.00 175.52 176.81 2kax h PHE 16 N 0.92 0.56 -0.27 3.16 3.57 -1.13 -2.14 116.94 121.62 2kax h PHE 16 Ca 0.17 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2kax h PHE 16 Cb 0.52 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2kax h PHE 16 CO 0.04 0.32 0.18 1.25 -2.23 0.00 0.00 178.31 177.87 2kax h HIS 17 N 0.57 0.22 0.00 0.41 2.76 -0.86 -2.03 115.15 116.22 2kax h HIS 17 Ca 0.23 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2kax h HIS 17 Cb 0.18 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2kax h HIS 17 CO -0.00 0.13 0.00 -0.22 -1.30 0.00 0.00 177.93 176.54 2kax h LYS 18 N 0.22 0.00 0.00 5.26 3.64 -1.43 -2.43 116.57 121.83 2kax h LYS 18 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2kax h LYS 18 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2kax h LYS 18 CO -0.02 0.00 -0.01 0.66 -2.27 0.00 0.00 179.45 177.80 2kax n TYR 19 N -2.65 0.00 0.00 1.91 4.01 -0.77 -4.69 117.16 114.98 2kax n TYR 19 Ca -0.01 -0.84 0.00 0.00 -0.16 0.00 0.00 57.90 56.90 2kax n TYR 19 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 2kax n TYR 19 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2kax n SER 20 N -1.15 0.00 0.00 7.72 3.41 -1.12 -4.65 113.62 117.83 2kax n SER 20 Ca 0.11 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.79 2kax n SER 20 Cb 0.54 0.10 0.42 0.00 -0.26 0.00 0.00 64.21 65.01 2kax n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kax n GLY 21 N 0.45 -0.44 0.22 5.00 0.00 -0.93 -1.46 105.19 108.03 2kax n GLY 21 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.02 2kax n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kax h ARG 22 N 0.00 0.00 0.00 1.61 0.11 -1.83 -3.39 114.38 110.88 2kax h ARG 22 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kax h ARG 22 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2kax h ARG 22 CO 0.00 0.25 -0.54 0.39 0.10 0.00 0.00 179.97 180.17 2kax n GLU 23 N -3.57 1.39 0.00 0.08 1.02 -0.63 -5.10 120.64 113.84 2kax n GLU 23 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2kax n GLU 23 Cb 0.40 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 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 2.12 1.67 2.64 0.62 0.00 -0.53 -5.07 105.19 106.63 2kax n GLY 24 Ca 0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2kax n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kax n SER 25 N 0.00 5.36 0.00 1.61 7.64 -1.22 -4.65 113.62 122.36 2kax n SER 25 Ca 0.00 -2.54 0.04 0.00 1.01 0.00 0.00 58.87 57.38 2kax n SER 25 Cb 0.00 -1.32 0.23 0.00 -1.01 0.00 0.00 64.21 62.12 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 4.86 0.37 0.00 1.43 2.85 -1.26 -1.46 118.16 124.95 2kax n LYS 26 Ca 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.82 2kax n LYS 26 Cb 0.25 -1.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 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 -0.83 0.77 -4.43 -5.58 4.77 -1.26 -4.45 117.00 105.99 2kax n LEU 27 Ca 0.06 -0.77 -0.21 0.00 -0.03 0.00 0.00 56.01 55.06 2kax n LEU 27 Cb 0.03 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 2kax n LEU 27 CO 0.04 0.19 -0.23 0.42 -1.33 0.00 0.00 177.39 176.49 2kax s THR 28 N -0.25 0.75 0.16 -5.08 -4.23 -0.54 -4.04 115.64 102.41 2kax s THR 28 Ca 0.00 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.33 2kax s THR 28 Cb 0.00 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.30 2kax s THR 28 CO 0.00 0.00 0.49 -1.48 -0.54 0.00 0.00 174.62 173.09 2kax s LEU 29 N -3.48 0.07 0.50 4.79 2.34 0.06 -4.51 118.68 118.44 2kax s LEU 29 Ca 0.32 -0.34 -0.20 0.00 0.06 0.00 0.00 54.13 53.97 2kax s LEU 29 Cb 0.06 2.12 -0.08 0.00 -0.56 0.00 0.00 46.19 47.73 2kax s LEU 29 CO 0.15 -0.97 1.07 -0.94 -1.06 0.00 0.00 176.35 174.60 2kax s SER 30 N -2.83 6.20 0.30 1.48 1.04 -1.26 -0.46 113.70 118.17 2kax s SER 30 Ca 0.06 2.01 0.05 0.00 0.48 0.00 0.00 55.95 58.54 2kax s SER 30 Cb -0.00 -2.57 0.71 0.00 0.10 0.00 0.00 66.02 64.26 2kax s SER 30 CO -0.08 -0.89 1.77 0.03 0.98 0.00 0.00 173.24 175.06 2kax h ARG 31 N 1.53 0.71 -0.66 4.02 2.47 -0.54 -1.18 114.38 120.73 2kax h ARG 31 Ca -0.50 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.18 2kax h ARG 31 Cb 1.23 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 29.36 2kax h ARG 31 CO 0.59 0.47 0.41 -0.22 0.56 0.00 0.00 179.97 181.78 2kax h LYS 32 N 0.74 0.89 -0.28 0.04 1.63 -1.28 -1.73 116.57 116.58 2kax h LYS 32 Ca 0.56 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 60.22 2kax h LYS 32 Cb 0.87 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 2kax h LYS 32 CO -0.39 0.62 -0.12 0.93 -3.45 0.00 0.00 179.45 177.05 2kax h GLU 33 N 0.90 0.58 -1.01 1.90 4.39 -1.58 -3.13 114.58 116.63 2kax h GLU 33 Ca 0.24 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2kax h GLU 33 Cb -0.05 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 2kax h GLU 33 CO -0.05 0.81 0.67 1.25 -1.16 0.00 0.00 179.01 180.53 2kax h LEU 34 N 0.32 1.14 -2.17 1.33 5.85 -1.09 0.29 115.31 120.98 2kax h LEU 34 Ca 0.06 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.82 2kax h LEU 34 Cb 0.62 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2kax h LEU 34 CO 0.04 0.82 0.20 0.50 -0.34 0.00 0.00 178.44 179.66 2kax h LYS 35 N 1.34 0.00 0.00 1.25 3.11 -1.31 -2.71 116.57 118.25 2kax h LYS 35 Ca 0.38 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 58.10 2kax h LYS 35 Cb -0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.09 2kax h LYS 35 CO -0.09 0.00 -0.73 1.49 -2.81 0.00 0.00 179.45 177.31 2kax h GLU 36 N 0.00 0.00 -0.76 1.90 4.57 -1.00 -3.41 114.58 115.88 2kax h GLU 36 Ca 0.10 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.40 2kax h GLU 36 Cb 0.51 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.96 2kax h GLU 36 CO -0.00 0.65 -0.36 1.25 -1.18 0.00 0.00 179.01 179.37 2kax h LEU 37 N -1.00 -1.29 -1.07 1.64 5.85 -0.78 -1.62 115.31 117.04 2kax h LEU 37 Ca -0.17 0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2kax h LEU 37 Cb 0.92 0.66 -0.06 0.00 0.37 0.00 0.00 40.66 42.55 2kax h LEU 37 CO -0.10 -0.30 0.63 0.40 -0.34 0.00 0.00 178.44 178.73 2kax h ILE 38 N -0.10 1.10 0.00 4.05 2.04 -1.74 0.27 117.51 123.13 2kax h ILE 38 Ca 0.28 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2kax h ILE 38 Cb 0.57 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2kax h ILE 38 CO -0.81 0.21 0.00 0.29 0.00 0.00 0.00 178.15 177.84 2kax n LYS 39 N -4.48 0.01 -0.09 2.37 4.01 -0.63 -1.92 118.16 117.42 2kax n LYS 39 Ca 0.14 0.08 -0.16 0.00 -0.51 0.00 0.00 58.31 57.86 2kax n LYS 39 Cb 0.17 -1.51 -0.08 0.00 -0.51 0.00 0.00 35.03 33.10 2kax n LYS 39 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2kax n LYS 40 N -1.53 0.53 0.17 1.97 4.76 -0.06 -4.56 118.16 119.44 2kax n LYS 40 Ca 0.06 0.54 0.03 0.00 -2.87 0.00 0.00 58.31 56.07 2kax n LYS 40 Cb 0.29 -1.71 0.29 0.00 -1.84 0.00 0.00 35.03 32.07 2kax n LYS 40 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2kax h GLU 41 N -1.00 0.00 -5.18 1.97 -0.00 -1.26 -3.39 114.58 105.72 2kax h GLU 41 Ca -0.24 0.00 -0.67 0.00 -0.00 0.00 0.00 59.36 58.45 2kax h GLU 41 Cb 1.04 0.00 -0.31 0.00 -0.00 0.00 0.00 28.75 29.48 2kax h GLU 41 CO -0.15 0.45 -0.81 -1.17 -0.00 0.00 0.00 179.01 177.34 2kax s LEU 42 N -7.44 2.46 -0.40 3.06 0.20 -0.81 -5.07 118.68 110.68 2kax s LEU 42 Ca -0.01 -0.48 0.09 0.00 0.69 0.00 0.00 54.13 54.42 2kax s LEU 42 Cb 0.12 -1.56 0.30 0.00 -0.43 0.00 0.00 46.19 44.62 2kax s LEU 42 CO 0.72 0.08 0.70 0.00 -0.29 0.00 0.00 176.35 177.56 2kax n LEU 44 N 0.81 0.00 0.00 0.00 4.77 -1.26 -4.97 117.00 116.34 2kax n LEU 44 Ca 0.20 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2kax n LEU 44 Cb 0.61 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2kax n LEU 44 CO 0.17 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2kax n GLY 45 N 0.65 0.32 3.13 -0.72 0.00 -1.26 -4.87 105.19 102.44 2kax n GLY 45 Ca 0.19 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 2kax n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kax s GLU 46 N 0.00 0.29 0.47 1.61 -1.05 -1.26 -5.11 118.70 113.65 2kax s GLU 46 Ca 0.00 0.33 0.02 0.00 -0.15 0.00 0.00 54.97 55.18 2kax s GLU 46 Cb 0.00 0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 2kax s GLU 46 CO 0.00 -0.04 0.06 -1.64 0.95 0.00 0.00 175.26 174.59 2kax s MET 47 N 0.11 2.08 -0.32 -4.83 -1.94 -1.26 -5.07 119.30 108.06 2kax s MET 47 Ca -0.00 -2.30 -0.04 0.00 -1.71 0.00 0.00 55.69 51.64 2kax s MET 47 Cb -0.02 -1.12 0.00 0.00 2.01 0.00 0.00 34.83 35.70 2kax s MET 47 CO 0.00 -0.41 0.15 1.17 -0.01 0.00 0.00 175.02 175.92 2kax n LYS 48 N -1.11 -3.04 -0.58 2.03 0.00 -1.26 -5.03 118.16 109.17 2kax n LYS 48 Ca -0.13 2.51 -0.30 0.00 0.00 0.00 0.00 58.31 60.39 2kax n LYS 48 Cb 0.66 -5.22 0.21 0.00 0.00 0.00 0.00 35.03 30.68 2kax n LYS 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2kax n GLU 49 N 0.41 -1.37 0.00 1.64 0.00 -1.26 -4.92 120.64 115.15 2kax n GLU 49 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 57.16 56.84 2kax n GLU 49 Cb 0.11 -2.29 0.00 0.00 0.00 0.00 0.00 31.44 29.27 2kax n GLU 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2kax n SER 50 N -4.58 0.00 0.00 4.31 7.64 -1.26 -4.80 113.62 114.92 2kax n SER 50 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2kax n SER 50 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2kax n SER 50 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2kax n SER 51 N 0.00 0.00 0.25 6.43 2.88 -1.26 -4.59 113.62 117.33 2kax n SER 51 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 2kax n SER 51 Cb 0.00 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.17 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2kax h ILE 52 N 0.00 0.00 -0.74 2.46 -0.00 -1.91 -2.13 117.51 115.18 2kax h ILE 52 Ca 0.00 -0.35 -0.04 0.00 -0.00 0.00 0.00 64.86 64.46 2kax h ILE 52 Cb 0.00 1.27 -0.03 0.00 -0.00 0.00 0.00 36.82 38.05 2kax h ILE 52 CO 0.00 0.00 0.29 -0.78 -0.00 0.00 0.00 178.15 177.66 2kax h ASP 53 N 0.00 1.02 1.41 2.16 3.58 -1.93 -1.73 116.42 120.93 2kax h ASP 53 Ca 0.00 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.19 2kax h ASP 53 Cb 0.38 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2kax h ASP 53 CO 0.00 0.91 -0.60 -0.78 -2.88 0.00 0.00 179.24 175.89 2kax h ASP 54 N 1.08 0.00 0.39 2.28 3.58 -1.78 0.78 116.42 122.75 2kax h ASP 54 Ca 0.25 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 2kax h ASP 54 Cb 0.21 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2kax h ASP 54 CO -0.02 0.46 -0.41 -0.07 -2.88 0.00 0.00 179.24 176.32 2kax h LEU 55 N 0.00 -1.13 -0.47 2.28 -0.00 -1.43 0.23 115.31 114.79 2kax h LEU 55 Ca -0.03 0.10 0.09 0.00 -0.00 0.00 0.00 57.88 58.05 2kax h LEU 55 Cb 1.37 0.38 -0.09 0.00 -0.00 0.00 0.00 40.66 42.32 2kax h LEU 55 CO 0.06 -0.56 -0.14 0.24 -0.00 0.00 0.00 178.44 178.04 2kax h MET 56 N -0.83 -0.03 -0.81 1.13 2.86 -1.23 -1.85 114.93 114.17 2kax h MET 56 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2kax h MET 56 Cb 0.74 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 2kax h MET 56 CO -0.08 -0.02 0.44 0.87 1.06 0.00 0.00 176.91 179.19 2kax h LYS 57 N -0.03 1.13 0.00 1.72 1.79 -0.73 -3.08 116.57 117.36 2kax h LYS 57 Ca 0.22 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2kax h LYS 57 Cb 0.37 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2kax h LYS 57 CO -0.50 0.83 -0.01 0.77 -1.08 0.00 0.00 179.45 179.47 2kax h SER 58 N 1.14 0.00 0.21 0.86 0.02 0.33 0.20 113.55 116.30 2kax h SER 58 Ca 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2kax h SER 58 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2kax h SER 58 CO -0.05 0.01 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.48 2kax h LEU 59 N 0.00 -0.23 -1.90 5.07 3.38 -1.44 -3.30 115.31 116.89 2kax h LEU 59 Ca -0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2kax h LEU 59 Cb 0.12 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2kax h LEU 59 CO 0.00 0.25 -0.13 -0.78 0.09 0.00 0.00 178.44 177.88 2kax h ASP 60 N -0.81 0.00 0.00 -0.43 3.58 -1.44 0.16 116.42 117.48 2kax h ASP 60 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2kax h ASP 60 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2kax h ASP 60 CO 0.05 0.13 0.06 0.50 -2.88 0.00 0.00 179.24 177.09 2kax h LYS 61 N 0.00 0.00 0.00 0.28 3.64 -0.71 -2.96 116.57 116.82 2kax h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kax h LYS 61 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2kax h LYS 61 CO 0.02 0.00 -0.86 0.09 -2.27 0.00 0.00 179.45 176.43 2kax n ASN 62 N -2.61 3.65 0.00 4.20 5.03 -1.04 -5.07 115.26 119.42 2kax n ASN 62 Ca -0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.43 2kax n ASN 62 Cb 0.10 0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 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 -2.21 0.00 -1.99 6.41 2.88 0.52 -4.42 113.62 114.81 2kax n SER 63 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2kax n SER 63 Cb 0.43 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.97 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 2.13 5.46 -4.14 -3.46 8.00 -1.26 -0.89 116.55 122.39 2kax n ASP 64 Ca 0.00 -3.77 -0.16 0.00 0.71 0.00 0.00 54.79 51.57 2kax n ASP 64 Cb 0.00 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.34 2kax n ASP 64 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kax s GLN 65 N -3.61 0.74 0.30 -1.24 -1.52 -1.26 -4.95 119.66 108.11 2kax s GLN 65 Ca 0.55 -0.92 -0.20 0.00 -1.95 0.00 0.00 55.36 52.85 2kax s GLN 65 Cb 0.45 -0.64 -0.09 0.00 -0.22 0.00 0.00 33.01 32.50 2kax s GLN 65 CO 0.02 0.14 0.80 -1.21 -0.25 0.00 0.00 175.29 174.78 2kax s GLU 66 N -1.79 4.24 0.12 2.91 2.02 -1.26 -1.10 118.70 123.84 2kax s GLU 66 Ca -0.04 0.93 0.04 0.00 0.02 0.00 0.00 54.97 55.92 2kax s GLU 66 Cb -0.09 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 2kax s GLU 66 CO 0.02 0.25 -0.11 0.96 0.02 0.00 0.00 175.26 176.40 2kax s ILE 67 N -1.76 1.11 0.52 -1.63 -4.36 0.39 -4.91 121.20 110.57 2kax s ILE 67 Ca 0.50 -1.83 0.08 0.00 -0.26 0.00 0.00 60.65 59.14 2kax s ILE 67 Cb -0.14 -1.60 0.09 0.00 1.25 0.00 0.00 42.46 42.06 2kax s ILE 67 CO 0.19 -0.61 0.72 -0.90 0.24 0.00 0.00 174.94 174.58 2kax n ASP 68 N 0.23 1.85 0.22 4.36 5.75 -1.26 -0.76 116.55 126.93 2kax n ASP 68 Ca -0.13 -2.35 0.18 0.00 -0.01 0.00 0.00 54.79 52.47 2kax n ASP 68 Cb 0.59 -0.38 0.85 0.00 -1.03 0.00 0.00 41.12 41.14 2kax n ASP 68 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2kax h PHE 69 N 0.06 0.00 0.00 2.11 3.57 -1.98 -2.77 116.94 117.94 2kax h PHE 69 Ca -0.24 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.23 2kax h PHE 69 Cb 1.11 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 2kax h PHE 69 CO 0.00 0.00 -0.18 -0.22 -2.23 0.00 0.00 178.31 175.68 2kax h LYS 70 N 0.00 0.00 -0.74 1.11 3.64 -1.95 -0.90 116.57 117.74 2kax h LYS 70 Ca 0.08 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.59 2kax h LYS 70 Cb 0.57 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 2kax h LYS 70 CO -0.00 0.83 0.49 0.93 -2.27 0.00 0.00 179.45 179.43 2kax h GLU 71 N -1.00 0.49 0.13 1.90 4.39 -1.96 -0.56 114.58 117.98 2kax h GLU 71 Ca -0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2kax h GLU 71 Cb 0.88 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2kax h GLU 71 CO -0.03 0.33 -0.06 -0.92 -1.16 0.00 0.00 179.01 177.16 2kax h TYR 72 N 0.51 -0.17 -0.29 4.33 3.20 -1.53 -2.54 116.97 120.48 2kax h TYR 72 Ca 0.35 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.12 2kax h TYR 72 Cb 0.67 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2kax h TYR 72 CO -0.00 0.22 -0.24 0.66 -1.64 0.00 0.00 178.16 177.16 2kax h SER 73 N -0.60 0.57 0.27 -2.11 4.64 -0.86 -2.19 113.55 113.26 2kax h SER 73 Ca -0.02 -0.19 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 2kax h SER 73 Cb 0.47 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2kax h SER 73 CO 0.03 0.80 -0.35 -0.37 -0.87 0.00 0.00 176.83 176.07 2kax h VAL 74 N 0.50 1.27 -0.06 0.95 -1.51 -1.19 -1.00 116.25 115.21 2kax h VAL 74 Ca 0.07 -1.31 -0.01 0.00 -1.23 0.00 0.00 66.70 64.22 2kax h VAL 74 Cb 0.68 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2kax h VAL 74 CO 0.05 0.38 -0.01 0.15 -1.23 0.00 0.00 177.57 176.91 2kax h PHE 75 N 0.11 0.13 -0.31 5.19 3.04 -0.98 0.14 116.94 124.26 2kax h PHE 75 Ca 0.01 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.98 2kax h PHE 75 Cb 0.68 -0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.12 2kax h PHE 75 CO 0.01 0.45 0.07 -0.07 -2.02 0.00 0.00 178.31 176.74 2kax h LEU 76 N -0.23 0.02 0.54 0.59 3.38 -1.41 -0.46 115.31 117.74 2kax h LEU 76 Ca 0.02 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2kax h LEU 76 Cb 0.41 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2kax h LEU 76 CO 0.01 0.05 -0.33 0.74 0.09 0.00 0.00 178.44 178.99 2kax h THR 77 N 0.18 0.32 -0.72 0.22 2.02 -1.12 -0.81 112.91 113.00 2kax h THR 77 Ca 0.14 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.45 2kax h THR 77 Cb 0.15 0.32 -0.09 0.00 -1.74 0.00 0.00 68.15 66.79 2kax h THR 77 CO -0.18 0.00 0.28 -0.03 0.37 0.00 0.00 175.52 175.95 2kax h MET 78 N -0.83 0.42 -0.25 6.66 1.85 -0.64 -0.32 114.93 121.81 2kax h MET 78 Ca -0.06 -0.03 -0.18 0.00 -0.61 0.00 0.00 59.70 58.82 2kax h MET 78 Cb 0.67 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.61 2kax h MET 78 CO 0.06 0.28 -0.55 1.25 -0.40 0.00 0.00 176.91 177.54 2kax h LEU 79 N 0.43 0.85 -0.15 3.39 5.85 -0.82 -0.94 115.31 123.93 2kax h LEU 79 Ca 0.38 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2kax h LEU 79 Cb 0.56 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2kax h LEU 79 CO -0.38 1.23 0.07 0.00 -0.34 0.00 0.00 178.44 179.02 2kax h MET 81 N 0.11 0.00 0.00 0.00 2.86 -0.85 -0.26 114.93 116.80 2kax h MET 81 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2kax h MET 81 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2kax h MET 81 CO -0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.96 2kax n ALA 82 N -1.92 1.84 -1.31 6.32 0.00 -0.37 -4.34 120.51 120.72 2kax n ALA 82 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kax n ALA 82 Cb 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.50 0.00 -1.79 0.00 0.18 -0.80 -5.07 117.16 108.18 2kax n TYR 83 Ca 0.04 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.42 2kax n TYR 83 Cb 0.21 0.02 0.02 0.00 -0.38 0.00 0.00 39.34 39.21 2kax n TYR 83 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2kax s ASN 84 N 0.00 5.92 0.07 9.48 0.01 -0.17 -4.95 114.94 125.29 2kax s ASN 84 Ca 0.00 2.95 0.24 0.00 -0.71 0.00 0.00 52.86 55.34 2kax s ASN 84 Cb 0.00 -2.66 0.23 0.00 0.41 0.00 0.00 41.25 39.24 2kax s ASN 84 CO 0.00 -1.15 1.20 -0.90 -1.51 0.00 0.00 177.10 174.74 2kax n ASP 85 N -0.13 0.64 0.00 -1.22 5.75 -1.26 -4.73 116.55 115.60 2kax n ASP 85 Ca 0.05 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 2kax n ASP 85 Cb 0.41 0.45 0.03 0.00 -1.03 0.00 0.00 41.12 40.98 2kax n ASP 85 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2kax n PHE 86 N -1.95 0.00 -2.23 2.11 3.72 -1.26 -1.41 117.46 116.43 2kax n PHE 86 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.39 2kax n PHE 86 Cb 0.42 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 2kax n PHE 86 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2kax n PHE 87 N -0.54 -0.25 -0.79 1.38 -1.74 -1.26 -5.17 117.46 109.09 2kax n PHE 87 Ca 0.01 -0.76 -0.31 0.00 -0.56 0.00 0.00 57.45 55.83 2kax n PHE 87 Cb 0.00 0.50 0.16 0.00 1.52 0.00 0.00 39.48 41.67 2kax n PHE 87 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2kax s LEU 88 N -0.79 2.70 -0.06 5.98 -0.00 -0.50 -5.03 118.68 120.99 2kax s LEU 88 Ca 0.09 2.06 -0.07 0.00 -0.00 0.00 0.00 54.13 56.21 2kax s LEU 88 Cb 0.16 -4.45 -0.04 0.00 -0.00 0.00 0.00 46.19 41.86 2kax s LEU 88 CO -0.05 -3.01 0.32 -0.08 -0.00 0.00 0.00 176.35 173.52 2kax h GLU 89 N -1.81 -0.25 0.00 1.48 4.81 -1.99 -3.50 114.58 113.32 2kax h GLU 89 Ca -0.45 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2kax h GLU 89 Cb 1.27 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2kax h GLU 89 CO 0.44 -0.16 0.08 -3.47 -0.73 0.00 0.00 179.01 175.17 2kax n ASP 90 N -4.60 -0.11 -0.31 1.04 -0.08 -1.26 -5.11 116.55 106.12 2kax n ASP 90 Ca -0.03 -1.02 0.00 0.00 -1.51 0.00 0.00 54.79 52.23 2kax n ASP 90 Cb 0.10 0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.72 2kax n ASP 90 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2kax n ASN 91 N -0.24 0.00 0.00 1.67 4.05 -1.26 -5.25 115.26 114.23 2kax n ASN 91 Ca 0.00 -1.49 0.00 0.00 0.45 0.00 0.00 54.58 53.55 2kax n ASN 91 Cb 0.05 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 40.96 2kax n ASN 91 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50