#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 -2.70 0.03 2.13 -1.26 -5.05 120.64 113.79 2kax n GLU 2 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 2kax n GLU 2 Cb 0.00 -0.03 0.06 0.00 0.27 0.00 0.00 31.44 31.74 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2kax s THR 3 N -0.07 2.48 0.16 6.31 -4.23 -1.26 -4.96 115.64 114.08 2kax s THR 3 Ca 0.00 -0.71 -0.15 0.00 -1.18 0.00 0.00 61.69 59.65 2kax s THR 3 Cb 0.00 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 71.11 2kax s THR 3 CO 0.00 0.00 1.80 1.55 -0.54 0.00 0.00 174.62 177.43 2kax h PRO 4 N -0.04 0.66 0.00 3.99 0.13 -1.99 -2.33 132.00 132.41 2kax h PRO 4 Ca -0.39 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 2kax h PRO 4 Cb 1.29 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2kax h PRO 4 CO 0.47 0.48 -0.47 1.25 -0.23 0.00 0.00 178.00 179.50 2kax h LEU 5 N 0.65 0.00 -0.73 1.56 5.85 -1.99 -0.71 115.31 119.93 2kax h LEU 5 Ca 0.17 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2kax h LEU 5 Cb -0.01 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2kax h LEU 5 CO -0.03 0.47 0.45 -0.08 -0.34 0.00 0.00 178.44 178.90 2kax h GLU 6 N 0.00 0.82 -0.48 1.25 4.22 -1.92 -1.61 114.58 116.85 2kax h GLU 6 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2kax h GLU 6 Cb 0.86 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2kax h GLU 6 CO 0.06 0.54 0.32 0.87 -2.18 0.00 0.00 179.01 178.62 2kax h LYS 7 N 0.84 0.64 -0.16 1.92 1.79 -0.59 0.13 116.57 121.14 2kax h LYS 7 Ca 0.31 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.71 2kax h LYS 7 Cb 0.10 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 2kax h LYS 7 CO -0.14 0.42 -0.00 0.00 -1.08 0.00 0.00 179.45 178.65 2kax h ALA 8 N 1.70 0.22 -0.43 3.86 0.00 -0.65 0.19 119.26 124.15 2kax h ALA 8 Ca 0.18 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2kax h ALA 8 Cb -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2kax h ALA 8 CO -0.04 -0.07 0.05 -0.07 0.00 0.00 0.00 179.25 179.12 2kax h LEU 9 N 0.03 0.70 -0.85 0.00 -0.00 -1.02 -0.39 115.31 113.78 2kax h LEU 9 Ca 0.05 -0.28 0.05 0.00 -0.00 0.00 0.00 57.88 57.70 2kax h LEU 9 Cb 0.39 -0.19 -0.06 0.00 -0.00 0.00 0.00 40.66 40.80 2kax h LEU 9 CO 0.01 0.80 0.53 0.74 -0.00 0.00 0.00 178.44 180.51 2kax h THR 10 N 0.57 1.06 -0.44 0.22 2.02 -0.73 -0.48 112.91 115.12 2kax h THR 10 Ca 0.13 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2kax h THR 10 Cb 0.41 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2kax h THR 10 CO 0.01 0.18 0.11 0.74 0.37 0.00 0.00 175.52 176.93 2kax h THR 11 N 0.98 1.23 -0.36 3.16 2.02 -0.75 -0.25 112.91 118.95 2kax h THR 11 Ca 0.36 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.75 2kax h THR 11 Cb 0.13 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2kax h THR 11 CO -0.16 0.29 0.21 0.24 0.37 0.00 0.00 175.52 176.47 2kax h MET 12 N 0.59 0.42 -0.14 6.66 2.07 -0.34 -0.52 114.93 123.67 2kax h MET 12 Ca 0.14 -0.03 -0.14 0.00 -2.07 0.00 0.00 59.70 57.61 2kax h MET 12 Cb 0.32 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 2kax h MET 12 CO 0.00 0.28 -0.50 -0.39 1.07 0.00 0.00 176.91 177.36 2kax h VAL 13 N 0.43 1.34 -0.55 -2.22 -1.51 -1.06 -1.44 116.25 111.24 2kax h VAL 13 Ca 0.14 -1.74 -0.01 0.00 -1.23 0.00 0.00 66.70 63.86 2kax h VAL 13 Cb 0.00 1.78 -0.03 0.00 -2.13 0.00 0.00 31.29 30.92 2kax h VAL 13 CO -0.06 0.53 0.31 0.74 -1.23 0.00 0.00 177.57 177.85 2kax h THR 14 N 0.29 1.18 -0.08 7.19 2.02 -0.72 -0.56 112.91 122.23 2kax h THR 14 Ca 0.01 -0.45 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 2kax h THR 14 Cb 0.99 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2kax h THR 14 CO 0.08 0.19 -0.33 0.74 0.37 0.00 0.00 175.52 176.58 2kax h THR 15 N 0.74 1.41 -0.96 3.16 2.02 -1.05 -3.29 112.91 114.94 2kax h THR 15 Ca 0.19 -1.70 0.04 0.00 0.77 0.00 0.00 66.41 65.71 2kax h THR 15 Cb 0.04 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 2kax h THR 15 CO -0.03 0.49 0.63 0.15 0.37 0.00 0.00 175.52 177.13 2kax h PHE 16 N -0.10 1.18 -0.06 3.16 3.57 -1.22 -2.74 116.94 120.72 2kax h PHE 16 Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2kax h PHE 16 Cb 0.97 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 2kax h PHE 16 CO 0.12 0.68 0.04 1.25 -2.23 0.00 0.00 178.31 178.17 2kax h HIS 17 N 1.21 0.04 0.00 0.41 2.76 -1.16 0.55 115.15 118.96 2kax h HIS 17 Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2kax h HIS 17 Cb 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2kax h HIS 17 CO -0.01 0.02 0.00 1.63 -1.30 0.00 0.00 177.93 178.28 2kax n LYS 18 N -4.53 0.18 0.00 5.26 5.02 -1.03 -0.96 118.16 122.11 2kax n LYS 18 Ca -0.02 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2kax n LYS 18 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 2kax n LYS 18 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2kax n TYR 19 N -1.32 0.00 0.11 2.13 4.01 -0.61 -4.78 117.16 116.71 2kax n TYR 19 Ca 0.07 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.59 2kax n TYR 19 Cb 0.13 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.01 2kax n TYR 19 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kax h SER 20 N 0.00 0.67 0.00 7.72 0.87 -1.01 -3.34 113.55 118.46 2kax h SER 20 Ca 0.00 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 2kax h SER 20 Cb 0.76 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2kax h SER 20 CO 0.00 1.64 0.00 0.61 -0.53 0.00 0.00 176.83 178.55 2kax n GLY 21 N 1.71 -0.61 0.16 5.77 0.00 -0.13 -3.75 105.19 108.35 2kax n GLY 21 Ca -0.17 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -0.31 0.00 1.61 3.08 -1.70 -3.47 114.38 113.59 2kax h ARG 22 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2kax h ARG 22 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2kax h ARG 22 CO 0.00 -0.02 0.00 0.39 -1.07 0.00 0.00 179.97 179.27 2kax n GLU 23 N -5.11 -2.06 0.00 0.04 -0.58 -1.25 -5.03 120.64 106.66 2kax n GLU 23 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2kax n GLU 23 Cb 0.23 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.10 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kax n GLY 24 N -0.86 1.84 0.00 0.62 0.00 -1.26 -4.82 105.19 100.71 2kax n GLY 24 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 2.38 0.00 0.00 1.61 3.41 -1.26 -5.05 113.62 114.70 2kax n SER 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2kax n SER 25 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kax n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kax n LYS 26 N 0.00 1.11 -0.00 4.33 5.02 -1.26 -4.62 118.16 122.74 2kax n LYS 26 Ca 0.00 -0.85 0.02 0.00 -2.02 0.00 0.00 58.31 55.46 2kax n LYS 26 Cb 0.00 -0.75 -0.03 0.00 -0.02 0.00 0.00 35.03 34.22 2kax n LYS 26 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2kax n LEU 27 N -0.20 0.02 0.00 -0.35 -0.00 -1.26 -4.43 117.00 110.77 2kax n LEU 27 Ca 0.00 -0.05 -0.20 0.00 -0.00 0.00 0.00 56.01 55.76 2kax n LEU 27 Cb 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.68 2kax n LEU 27 CO 0.00 0.00 -0.12 0.35 -0.00 0.00 0.00 177.39 177.63 2kax n THR 28 N -1.61 0.00 -3.86 1.47 -2.24 -1.26 -3.92 114.28 102.86 2kax n THR 28 Ca -0.01 -2.18 -0.08 0.00 -2.27 0.00 0.00 64.05 59.52 2kax n THR 28 Cb 0.11 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.15 0.62 3.22 2.34 -1.02 -4.42 118.68 119.27 2kax s LEU 29 Ca 0.28 -0.75 -0.13 0.00 0.06 0.00 0.00 54.13 53.59 2kax s LEU 29 Cb 0.01 2.67 -0.03 0.00 -0.56 0.00 0.00 46.19 48.28 2kax s LEU 29 CO 0.20 -1.40 1.04 -0.94 -1.06 0.00 0.00 176.35 174.18 2kax s SER 30 N -2.96 5.91 0.39 1.48 1.04 -1.26 -1.03 113.70 117.27 2kax s SER 30 Ca 0.13 1.62 0.10 0.00 0.48 0.00 0.00 55.95 58.28 2kax s SER 30 Cb -0.05 -2.50 0.79 0.00 0.10 0.00 0.00 66.02 64.35 2kax s SER 30 CO 0.08 -1.08 1.91 0.03 0.98 0.00 0.00 173.24 175.16 2kax h ARG 31 N -0.01 0.21 0.00 4.02 2.47 -1.40 -2.13 114.38 117.55 2kax h ARG 31 Ca -0.45 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.12 2kax h ARG 31 Cb 1.20 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.48 2kax h ARG 31 CO 0.59 0.37 -0.49 0.87 0.56 0.00 0.00 179.97 181.87 2kax h LYS 32 N 0.20 0.00 -0.15 0.04 1.57 -1.82 -1.91 116.57 114.50 2kax h LYS 32 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2kax h LYS 32 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2kax h LYS 32 CO 0.02 0.49 0.04 1.49 -0.57 0.00 0.00 179.45 180.92 2kax h GLU 33 N 0.00 0.24 -0.27 3.15 4.57 -1.76 -1.42 114.58 119.10 2kax h GLU 33 Ca -0.00 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2kax h GLU 33 Cb 0.86 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 2kax h GLU 33 CO 0.06 0.39 0.10 1.25 -1.18 0.00 0.00 179.01 179.64 2kax h LEU 34 N 0.04 0.13 -0.84 1.64 5.85 -1.39 -0.51 115.31 120.23 2kax h LEU 34 Ca 0.05 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2kax h LEU 34 Cb 0.26 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2kax h LEU 34 CO 0.00 0.11 0.52 0.50 -0.34 0.00 0.00 178.44 179.23 2kax h LYS 35 N 0.23 0.93 -0.09 1.25 3.64 -1.21 -2.31 116.57 119.02 2kax h LYS 35 Ca 0.12 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 2kax h LYS 35 Cb 0.07 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2kax h LYS 35 CO -0.11 0.62 -0.78 1.49 -2.27 0.00 0.00 179.45 178.39 2kax h GLU 36 N 0.96 0.53 -0.16 1.90 4.57 -1.16 -3.31 114.58 117.91 2kax h GLU 36 Ca 0.36 -0.45 0.05 0.00 -1.18 0.00 0.00 59.36 58.14 2kax h GLU 36 Cb 0.15 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.77 2kax h GLU 36 CO -0.16 1.08 -0.28 1.25 -1.18 0.00 0.00 179.01 179.72 2kax h LEU 37 N 0.35 -0.88 -1.63 1.64 5.85 -0.52 -1.63 115.31 118.49 2kax h LEU 37 Ca -0.05 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2kax h LEU 37 Cb 1.38 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 2kax h LEU 37 CO 0.14 -0.32 0.12 0.40 -0.34 0.00 0.00 178.44 178.44 2kax h ILE 38 N -0.33 1.10 -0.00 4.05 2.04 -1.64 -1.31 117.51 121.42 2kax h ILE 38 Ca 0.11 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2kax h ILE 38 Cb 0.50 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2kax h ILE 38 CO -0.35 0.11 -0.07 0.29 0.00 0.00 0.00 178.15 178.13 2kax n LYS 39 N -4.44 0.05 -0.09 2.37 4.76 -0.70 -1.71 118.16 118.40 2kax n LYS 39 Ca 0.01 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2kax n LYS 39 Cb 0.11 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.66 2kax n LYS 39 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kax n LYS 40 N -1.47 0.94 0.07 1.97 4.01 -0.69 -4.51 118.16 118.48 2kax n LYS 40 Ca 0.08 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.76 2kax n LYS 40 Cb 0.33 -1.48 -0.13 0.00 -0.51 0.00 0.00 35.03 33.24 2kax n LYS 40 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 2kax h GLU 41 N 0.00 0.13 -5.17 1.97 -0.00 -1.37 -3.48 114.58 106.66 2kax h GLU 41 Ca -0.51 -0.23 -0.36 0.00 -0.00 0.00 0.00 59.36 58.27 2kax h GLU 41 Cb 2.12 0.09 -0.14 0.00 -0.00 0.00 0.00 28.75 30.81 2kax h GLU 41 CO 0.02 1.05 -0.71 -0.51 -0.00 0.00 0.00 179.01 178.86 2kax s LEU 42 N -6.85 2.50 0.00 3.06 1.43 -0.69 -5.09 118.68 113.04 2kax s LEU 42 Ca -0.03 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 2kax s LEU 42 Cb 0.08 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.90 2kax s LEU 42 CO 0.85 -0.32 0.15 0.00 0.23 0.00 0.00 176.35 177.25 2kax n LEU 44 N -1.94 -0.87 0.03 0.00 4.77 -1.26 -4.80 117.00 112.93 2kax n LEU 44 Ca 0.00 0.37 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 2kax n LEU 44 Cb 0.00 -2.67 -0.07 0.00 -2.33 0.00 0.00 43.42 38.35 2kax n LEU 44 CO 0.00 -1.02 -0.30 0.61 -1.33 0.00 0.00 177.39 175.34 2kax n GLY 45 N -0.05 -1.17 1.37 -0.72 0.00 -1.26 -4.66 105.19 98.70 2kax n GLY 45 Ca -0.15 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.22 3.36 -0.31 1.61 0.00 -1.26 -4.95 120.64 116.88 2kax n GLU 46 Ca -0.01 -2.27 0.00 0.00 0.00 0.00 0.00 57.16 54.88 2kax n GLU 46 Cb 0.51 -1.85 0.00 0.00 0.00 0.00 0.00 31.44 30.10 2kax n GLU 46 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2kax n MET 47 N 0.73 0.00 -0.65 3.44 2.81 -1.26 -5.20 117.12 116.99 2kax n MET 47 Ca 0.20 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.17 2kax n MET 47 Cb 0.79 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.26 2kax n MET 47 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kax n LYS 48 N 0.00 -1.48 0.00 0.03 4.01 -1.26 -5.03 118.16 114.43 2kax n LYS 48 Ca 0.00 1.19 0.00 0.00 -0.51 0.00 0.00 58.31 58.99 2kax n LYS 48 Cb 0.00 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.78 2kax n LYS 48 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2kax n GLU 49 N -3.13 1.71 0.00 1.97 -0.00 -0.14 -5.00 120.64 116.05 2kax n GLU 49 Ca -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.14 2kax n GLU 49 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 31.74 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 0.00 0.22 0.27 -1.84 7.64 -1.26 -4.58 113.62 114.07 2kax n SER 50 Ca 0.00 -0.61 0.11 0.00 1.01 0.00 0.00 58.87 59.38 2kax n SER 50 Cb 0.00 0.90 0.74 0.00 -1.01 0.00 0.00 64.21 64.84 2kax n SER 50 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2kax h SER 51 N 0.05 0.00 -0.88 6.43 0.87 -1.97 -0.77 113.55 117.27 2kax h SER 51 Ca 0.00 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.79 2kax h SER 51 Cb 0.06 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 2kax h SER 51 CO 0.00 0.00 0.61 -0.29 -0.53 0.00 0.00 176.83 176.62 2kax h ILE 52 N 0.00 0.61 -0.39 2.23 2.10 -1.99 -1.65 117.51 118.42 2kax h ILE 52 Ca 0.00 -0.06 -0.01 0.00 1.08 0.00 0.00 64.86 65.87 2kax h ILE 52 Cb 0.00 0.42 -0.02 0.00 -1.09 0.00 0.00 36.82 36.14 2kax h ILE 52 CO -0.00 0.03 0.19 -0.78 -1.08 0.00 0.00 178.15 176.51 2kax h ASP 53 N 0.17 0.51 -0.59 2.19 3.58 -1.46 0.20 116.42 121.02 2kax h ASP 53 Ca 0.44 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.66 2kax h ASP 53 Cb 1.46 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.36 2kax h ASP 53 CO -0.08 0.49 -0.02 -0.78 -2.88 0.00 0.00 179.24 175.97 2kax h ASP 54 N 0.49 1.05 -0.35 2.28 3.58 -1.54 -2.23 116.42 119.70 2kax h ASP 54 Ca 0.13 -0.31 0.04 0.00 0.42 0.00 0.00 57.03 57.32 2kax h ASP 54 Cb 0.12 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.85 2kax h ASP 54 CO -0.02 1.10 0.11 -0.07 -2.88 0.00 0.00 179.24 177.49 2kax h LEU 55 N 0.97 0.10 -0.97 2.28 3.38 -0.66 0.64 115.31 121.06 2kax h LEU 55 Ca 0.17 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2kax h LEU 55 Cb 0.58 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2kax h LEU 55 CO 0.03 0.09 0.32 0.24 0.09 0.00 0.00 178.44 179.22 2kax h MET 56 N 0.25 1.06 0.00 1.13 2.86 -0.97 -2.03 114.93 117.23 2kax h MET 56 Ca 0.16 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2kax h MET 56 Cb 0.14 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2kax h MET 56 CO -0.17 0.84 -0.30 0.87 1.06 0.00 0.00 176.91 179.21 2kax h LYS 57 N 1.05 0.00 0.00 1.72 6.56 -0.78 -3.09 116.57 122.03 2kax h LYS 57 Ca 0.25 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.83 2kax h LYS 57 Cb 0.15 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2kax h LYS 57 CO -0.03 0.30 -0.04 0.77 -2.06 0.00 0.00 179.45 178.40 2kax h SER 58 N 0.00 0.00 0.07 0.86 0.02 0.82 0.23 113.55 115.55 2kax h SER 58 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2kax h SER 58 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2kax h SER 58 CO 0.04 0.04 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.66 2kax h LEU 59 N 0.00 -0.09 -2.25 5.07 3.38 -1.42 -3.34 115.31 116.66 2kax h LEU 59 Ca -0.00 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.49 2kax h LEU 59 Cb 0.89 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2kax h LEU 59 CO 0.00 0.49 0.04 -0.78 0.09 0.00 0.00 178.44 178.29 2kax h ASP 60 N -0.71 0.00 -0.27 -0.43 1.82 -1.38 -3.15 116.42 112.30 2kax h ASP 60 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2kax h ASP 60 Cb 0.57 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 2kax h ASP 60 CO 0.02 0.00 0.18 0.50 -1.61 0.00 0.00 179.24 178.32 2kax h LYS 61 N 0.00 0.37 -1.48 0.28 1.63 -0.68 -3.33 116.57 113.35 2kax h LYS 61 Ca 0.02 -0.02 -0.41 0.00 -0.85 0.00 0.00 60.65 59.39 2kax h LYS 61 Cb 0.11 -0.08 -0.29 0.00 -0.60 0.00 0.00 32.23 31.37 2kax h LYS 61 CO -0.00 0.25 -0.82 0.09 -3.45 0.00 0.00 179.45 175.52 2kax n ASN 62 N -4.49 -1.41 0.04 4.20 4.13 -1.19 -5.04 115.26 111.49 2kax n ASN 62 Ca 0.01 -2.77 0.01 0.00 1.68 0.00 0.00 54.58 53.51 2kax n ASN 62 Cb 0.07 0.39 -0.07 0.00 -1.54 0.00 0.00 39.78 38.63 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 2.19 0.84 -1.78 6.41 7.64 -1.25 -4.44 113.62 123.22 2kax n SER 63 Ca 0.20 0.36 -0.04 0.00 1.01 0.00 0.00 58.87 60.41 2kax n SER 63 Cb 0.54 0.23 0.29 0.00 -1.01 0.00 0.00 64.21 64.26 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 -2.85 4.46 -4.36 6.43 8.00 -1.26 -1.61 116.55 125.35 2kax n ASP 64 Ca -0.09 -3.27 -0.19 0.00 0.71 0.00 0.00 54.79 51.96 2kax n ASP 64 Cb 0.80 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 41.09 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 -3.01 1.38 0.27 -1.24 0.00 -1.26 -5.07 119.66 110.73 2kax s GLN 65 Ca 0.53 -1.63 -0.24 0.00 -0.00 0.00 0.00 55.36 54.02 2kax s GLN 65 Cb 0.43 -1.17 -0.09 0.00 0.00 0.00 0.00 33.01 32.17 2kax s GLN 65 CO 0.11 0.18 0.86 -1.21 0.00 0.00 0.00 175.29 175.23 2kax s GLU 66 N -3.65 4.50 -0.08 9.60 2.02 -1.26 -3.82 118.70 126.02 2kax s GLU 66 Ca 0.24 1.19 0.02 0.00 0.02 0.00 0.00 54.97 56.44 2kax s GLU 66 Cb -0.00 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 2kax s GLU 66 CO 0.08 0.36 -0.13 0.96 0.02 0.00 0.00 175.26 176.54 2kax s ILE 67 N -1.52 3.12 0.56 -1.63 -4.36 -0.20 -4.94 121.20 112.23 2kax s ILE 67 Ca 0.46 -0.68 -0.18 0.00 -0.26 0.00 0.00 60.65 59.99 2kax s ILE 67 Cb -0.19 -2.25 -0.05 0.00 1.25 0.00 0.00 42.46 41.22 2kax s ILE 67 CO 0.24 0.57 1.09 -0.62 0.24 0.00 0.00 174.94 176.45 2kax s ASP 68 N -0.37 5.79 0.61 4.36 -1.08 -1.26 -2.43 116.67 122.30 2kax s ASP 68 Ca 0.04 2.00 0.25 0.00 -0.52 0.00 0.00 52.55 54.31 2kax s ASP 68 Cb -0.12 -2.56 1.00 0.00 -1.46 0.00 0.00 42.92 39.77 2kax s ASP 68 CO 0.02 -1.16 1.45 0.15 0.52 0.00 0.00 175.17 176.15 2kax h PHE 69 N 0.92 0.00 -0.47 -5.34 3.04 -1.97 -0.99 116.94 112.12 2kax h PHE 69 Ca -0.49 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.40 2kax h PHE 69 Cb 1.24 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.73 2kax h PHE 69 CO 0.55 0.00 0.05 0.87 -2.02 0.00 0.00 178.31 177.76 2kax h LYS 70 N 0.00 0.79 -0.30 1.11 1.57 -1.94 0.07 116.57 117.87 2kax h LYS 70 Ca 0.35 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2kax h LYS 70 Cb 2.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 34.50 2kax h LYS 70 CO -0.00 0.82 -0.00 0.93 -0.57 0.00 0.00 179.45 180.62 2kax h GLU 71 N 0.65 0.45 -0.19 3.15 4.39 -1.55 0.95 114.58 122.43 2kax h GLU 71 Ca 0.14 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 2kax h GLU 71 Cb 0.43 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2kax h GLU 71 CO 0.01 0.49 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.41 2kax h TYR 72 N 0.44 0.39 -0.41 4.33 3.20 -1.47 -0.82 116.97 122.63 2kax h TYR 72 Ca 0.10 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 2kax h TYR 72 Cb 0.30 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2kax h TYR 72 CO 0.01 0.58 -0.29 0.66 -1.64 0.00 0.00 178.16 177.48 2kax h SER 73 N 0.09 0.97 -0.22 -2.11 4.64 -0.67 -2.58 113.55 113.66 2kax h SER 73 Ca 0.05 -0.43 -0.15 0.00 -0.47 0.00 0.00 61.79 60.78 2kax h SER 73 Cb 0.44 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2kax h SER 73 CO 0.01 1.20 -0.42 -0.37 -0.87 0.00 0.00 176.83 176.38 2kax h VAL 74 N 0.75 1.29 -0.17 0.95 -1.51 -0.87 -2.49 116.25 114.19 2kax h VAL 74 Ca 0.08 -1.61 -0.01 0.00 -1.23 0.00 0.00 66.70 63.93 2kax h VAL 74 Cb 0.88 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 2kax h VAL 74 CO 0.08 0.52 0.05 0.15 -1.23 0.00 0.00 177.57 177.14 2kax h PHE 75 N 0.63 0.27 -0.79 5.19 3.04 -1.11 0.28 116.94 124.45 2kax h PHE 75 Ca 0.04 -0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.06 2kax h PHE 75 Cb 0.99 -0.08 -0.07 0.00 2.56 0.00 0.00 35.95 39.34 2kax h PHE 75 CO 0.05 0.37 0.44 -0.07 -2.02 0.00 0.00 178.31 177.08 2kax h LEU 76 N 0.10 0.61 -0.20 0.59 3.38 -1.55 -2.53 115.31 115.71 2kax h LEU 76 Ca 0.05 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2kax h LEU 76 Cb 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2kax h LEU 76 CO -0.00 0.35 -0.46 0.74 0.09 0.00 0.00 178.44 179.16 2kax h THR 77 N 0.73 1.32 -0.69 0.22 2.02 -0.91 -3.13 112.91 112.47 2kax h THR 77 Ca 0.39 -1.68 0.05 0.00 0.77 0.00 0.00 66.41 65.93 2kax h THR 77 Cb 0.37 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 2kax h THR 77 CO -0.26 0.53 0.46 0.24 0.37 0.00 0.00 175.52 176.86 2kax h MET 78 N 0.36 0.74 -0.23 6.66 2.86 -0.34 -2.03 114.93 122.94 2kax h MET 78 Ca -0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2kax h MET 78 Cb 1.06 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2kax h MET 78 CO 0.10 0.49 0.06 -0.07 1.06 0.00 0.00 176.91 178.55 2kax h LEU 79 N 0.76 0.29 -0.50 1.22 -0.00 -1.40 -2.72 115.31 112.96 2kax h LEU 79 Ca 0.29 -0.03 0.08 0.00 -0.00 0.00 0.00 57.88 58.22 2kax h LEU 79 Cb 0.18 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 40.71 2kax h LEU 79 CO -0.09 0.30 0.13 0.00 -0.00 0.00 0.00 178.44 178.78 2kax n MET 81 N -5.07 0.73 -0.14 0.00 -0.00 -1.03 -0.36 117.12 111.24 2kax n MET 81 Ca 0.06 0.00 0.10 0.00 -0.00 0.00 0.00 57.70 57.85 2kax n MET 81 Cb 0.23 -1.40 0.29 0.00 -0.00 0.00 0.00 33.22 32.34 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 -0.90 2.48 -0.34 3.17 0.00 -0.35 -4.52 120.51 120.05 2kax n ALA 82 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2kax n ALA 82 Cb 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.65 0.00 -2.05 0.00 4.11 -0.88 -0.97 117.16 118.02 2kax n TYR 83 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.63 2kax n TYR 83 Cb 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.70 2kax n TYR 83 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2kax s ASN 84 N 0.00 6.30 0.00 9.48 3.84 0.51 -3.98 114.94 131.09 2kax s ASN 84 Ca 0.00 1.68 0.00 0.00 0.21 0.00 0.00 52.86 54.75 2kax s ASN 84 Cb 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 2kax s ASN 84 CO 0.00 -1.31 0.00 -0.67 -2.79 0.00 0.00 177.10 172.33 2kax n ASP 85 N 8.69 0.00 -0.32 -4.21 2.03 -1.26 -4.87 116.55 116.62 2kax n ASP 85 Ca 0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2kax n ASP 85 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.00 0.00 -0.20 -0.67 3.72 -1.26 -0.96 117.46 118.10 2kax n PHE 86 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kax n PHE 86 Cb 0.00 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.02 0.00 -0.03 1.38 3.01 -1.26 -4.90 117.46 115.67 2kax n PHE 87 Ca 0.00 -0.07 -0.03 0.00 1.01 0.00 0.00 57.45 58.36 2kax n PHE 87 Cb 0.06 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.51 2kax n PHE 87 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2kax n LEU 88 N -0.07 0.72 0.00 4.37 4.77 -0.13 -4.99 117.00 121.66 2kax n LEU 88 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2kax n LEU 88 Cb 0.09 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2kax n LEU 88 CO 0.00 -0.44 0.00 1.21 -1.33 0.00 0.00 177.39 176.83 2kax n GLU 89 N -3.21 -0.13 -3.65 3.23 2.13 -1.21 -4.82 120.64 112.99 2kax n GLU 89 Ca -0.04 0.03 -0.03 0.00 0.66 0.00 0.00 57.16 57.78 2kax n GLU 89 Cb 0.16 -3.71 -0.07 0.00 0.27 0.00 0.00 31.44 28.10 2kax n GLU 89 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2kax s ASP 90 N -2.38 -0.06 0.00 4.31 2.15 -1.26 -4.98 116.67 114.46 2kax s ASP 90 Ca 0.00 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.09 2kax s ASP 90 Cb 0.00 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.73 2kax s ASP 90 CO 0.00 -0.02 0.00 -3.20 -0.17 0.00 0.00 175.17 171.78 2kax n ASN 91 N 1.55 0.00 0.00 -0.34 5.15 -1.26 -5.14 115.26 115.22 2kax n ASN 91 Ca -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 2kax n ASN 91 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 2kax n ASN 91 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95