#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 -2.55 2.12 -0.58 -1.26 -5.09 120.64 113.28 2kax n GLU 2 Ca 0.00 0.10 -0.32 0.00 -0.42 0.00 0.00 57.16 56.52 2kax n GLU 2 Cb 0.00 -0.88 -0.03 0.00 -0.57 0.00 0.00 31.44 29.96 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 -2.00 4.61 0.10 2.62 -4.23 -1.26 -5.02 115.64 110.45 2kax s THR 3 Ca 0.00 1.04 -0.14 0.00 -1.18 0.00 0.00 61.69 61.41 2kax s THR 3 Cb 0.00 -3.72 -0.12 0.00 1.34 0.00 0.00 72.50 70.01 2kax s THR 3 CO 0.00 -0.63 1.36 1.55 -0.54 0.00 0.00 174.62 176.36 2kax h PRO 4 N 1.05 0.73 -0.29 3.99 0.13 -2.00 -2.92 132.00 132.70 2kax h PRO 4 Ca -0.47 -0.47 -0.05 0.00 -0.87 0.00 0.00 66.00 64.14 2kax h PRO 4 Cb 1.19 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2kax h PRO 4 CO 0.62 1.10 -0.05 1.25 -0.23 0.00 0.00 178.00 180.69 2kax h LEU 5 N 0.46 0.42 -1.26 1.56 5.85 -1.99 -0.96 115.31 119.39 2kax h LEU 5 Ca 0.01 -0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.79 2kax h LEU 5 Cb 1.07 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 2kax h LEU 5 CO 0.10 0.53 0.58 -0.08 -0.34 0.00 0.00 178.44 179.23 2kax h GLU 6 N 0.43 0.70 0.00 1.25 4.81 -1.92 -0.23 114.58 119.61 2kax h GLU 6 Ca 0.09 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2kax h GLU 6 Cb 0.36 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2kax h GLU 6 CO 0.02 0.46 -0.56 0.87 -0.73 0.00 0.00 179.01 179.07 2kax h LYS 7 N 0.72 0.00 0.29 1.92 1.79 -1.05 0.15 116.57 120.39 2kax h LYS 7 Ca 0.45 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.91 2kax h LYS 7 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2kax h LYS 7 CO -0.21 0.56 -0.14 0.00 -1.08 0.00 0.00 179.45 178.58 2kax h ALA 8 N 1.44 -0.39 -0.50 3.86 0.00 -0.80 -1.41 119.26 121.46 2kax h ALA 8 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2kax h ALA 8 Cb 1.22 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2kax h ALA 8 CO 0.07 -0.59 0.19 -0.07 0.00 0.00 0.00 179.25 178.85 2kax h LEU 9 N -0.64 0.70 -0.56 0.00 -0.00 -1.02 -0.74 115.31 113.05 2kax h LEU 9 Ca -0.04 -0.18 0.11 0.00 -0.00 0.00 0.00 57.88 57.77 2kax h LEU 9 Cb 0.45 -0.18 -0.10 0.00 -0.00 0.00 0.00 40.66 40.83 2kax h LEU 9 CO 0.07 0.69 -0.08 0.74 -0.00 0.00 0.00 178.44 179.85 2kax h THR 10 N 0.67 0.49 -0.13 0.22 2.02 -0.76 0.24 112.91 115.66 2kax h THR 10 Ca 0.17 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.33 2kax h THR 10 Cb 0.22 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2kax h THR 10 CO -0.01 0.01 0.09 0.74 0.37 0.00 0.00 175.52 176.71 2kax h THR 11 N 0.04 1.03 -0.53 3.16 2.02 -0.71 -0.15 112.91 117.78 2kax h THR 11 Ca 0.28 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 2kax h THR 11 Cb 0.43 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2kax h THR 11 CO -0.53 0.03 0.26 0.24 0.37 0.00 0.00 175.52 175.89 2kax h MET 12 N 0.17 0.75 -0.01 6.66 2.07 -0.17 -1.18 114.93 123.23 2kax h MET 12 Ca 0.05 -0.11 -0.16 0.00 -2.07 0.00 0.00 59.70 57.40 2kax h MET 12 Cb -0.02 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.56 2kax h MET 12 CO -0.01 0.62 -0.75 -0.39 1.07 0.00 0.00 176.91 177.45 2kax h VAL 13 N 0.70 1.50 -0.16 -2.22 -1.51 -0.46 -0.76 116.25 113.34 2kax h VAL 13 Ca 0.18 -2.46 -0.09 0.00 -1.23 0.00 0.00 66.70 63.10 2kax h VAL 13 Cb 0.11 2.33 -0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2kax h VAL 13 CO -0.02 0.71 -0.27 0.74 -1.23 0.00 0.00 177.57 177.49 2kax h THR 14 N 0.06 1.35 0.00 7.19 2.02 -0.91 -0.46 112.91 122.16 2kax h THR 14 Ca -0.02 -1.51 -0.08 0.00 0.77 0.00 0.00 66.41 65.57 2kax h THR 14 Cb 1.32 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 2kax h THR 14 CO 0.11 0.45 -0.39 0.71 0.37 0.00 0.00 175.52 176.77 2kax h THR 15 N 0.09 1.28 -0.18 3.16 1.35 -1.24 -1.36 112.91 116.02 2kax h THR 15 Ca 0.01 -1.34 -0.06 0.00 -0.55 0.00 0.00 66.41 64.47 2kax h THR 15 Cb 0.85 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2kax h THR 15 CO 0.06 0.38 -0.12 0.15 -0.25 0.00 0.00 175.52 175.74 2kax h PHE 16 N 0.00 0.47 0.00 4.73 3.57 -1.08 -3.12 116.94 121.51 2kax h PHE 16 Ca -0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2kax h PHE 16 Cb 0.69 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2kax h PHE 16 CO 0.00 0.73 0.00 1.25 -2.23 0.00 0.00 178.31 178.06 2kax h HIS 17 N 0.07 0.00 0.00 0.41 2.76 -0.85 0.44 115.15 117.98 2kax h HIS 17 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2kax h HIS 17 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2kax h HIS 17 CO 0.07 0.00 0.00 -0.22 -1.30 0.00 0.00 177.93 176.48 2kax h LYS 18 N 0.00 0.00 0.00 5.26 3.11 -1.18 -2.19 116.57 121.57 2kax h LYS 18 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2kax h LYS 18 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2kax h LYS 18 CO 0.00 0.00 -0.90 0.66 -2.81 0.00 0.00 179.45 176.40 2kax n TYR 19 N -2.80 0.00 0.03 1.91 4.02 -0.38 -4.84 117.16 115.10 2kax n TYR 19 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.69 2kax n TYR 19 Cb 0.17 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.39 0.00 7.72 4.64 -1.09 -3.39 113.55 121.82 2kax h SER 20 Ca 0.00 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 2kax h SER 20 Cb 0.87 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2kax h SER 20 CO 0.00 1.63 0.00 0.61 -0.87 0.00 0.00 176.83 178.20 2kax n GLY 21 N 1.84 -0.07 0.11 -0.77 0.00 -0.82 -1.40 105.19 104.07 2kax n GLY 21 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 0.15 0.00 0.00 1.61 3.08 -1.77 -3.50 114.38 113.96 2kax h ARG 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kax h ARG 22 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2kax h ARG 22 CO 0.00 0.69 0.00 0.39 -1.07 0.00 0.00 179.97 179.98 2kax n GLU 23 N -3.26 0.45 -0.00 0.04 1.02 -0.49 -5.06 120.64 113.33 2kax n GLU 23 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2kax n GLU 23 Cb 0.83 0.00 0.38 0.00 -0.02 0.00 0.00 31.44 32.63 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 1.04 -0.96 3.00 0.62 0.00 -1.26 -4.70 105.19 102.94 2kax n GLY 24 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.40 -0.16 0.00 1.61 0.15 -1.26 -5.06 113.70 107.57 2kax s SER 25 Ca 0.20 0.35 0.14 0.00 0.70 0.00 0.00 55.95 57.33 2kax s SER 25 Cb 0.09 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 2kax s SER 25 CO 0.15 -0.10 0.80 0.29 1.20 0.00 0.00 173.24 175.57 2kax n LYS 26 N 3.59 1.71 -0.01 5.44 5.02 -1.26 -4.41 118.16 128.25 2kax n LYS 26 Ca -0.19 -0.82 0.09 0.00 -2.02 0.00 0.00 58.31 55.36 2kax n LYS 26 Cb 0.56 -1.21 -0.13 0.00 -0.02 0.00 0.00 35.03 34.22 2kax n LYS 26 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kax n LEU 27 N -0.03 0.04 -4.75 -0.35 4.77 -1.26 -4.77 117.00 110.65 2kax n LEU 27 Ca 0.06 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.70 2kax n LEU 27 Cb 0.30 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 2kax n LEU 27 CO 0.16 0.01 -0.25 0.42 -1.33 0.00 0.00 177.39 176.40 2kax s THR 28 N -3.17 1.29 -0.00 -5.08 -4.23 -1.26 -3.31 115.64 99.88 2kax s THR 28 Ca -0.06 -1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 2kax s THR 28 Cb 0.11 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.70 2kax s THR 28 CO 0.72 0.00 0.23 0.00 -0.54 0.00 0.00 174.62 175.02 2kax n LEU 29 N -1.25 0.00 -4.83 4.79 -0.00 -1.02 -4.73 117.00 109.96 2kax n LEU 29 Ca -0.17 -0.08 -0.33 0.00 -0.00 0.00 0.00 56.01 55.44 2kax n LEU 29 Cb 0.67 0.34 -0.06 0.00 -0.00 0.00 0.00 43.42 44.37 2kax n LEU 29 CO 0.39 -0.03 0.62 -0.94 -0.00 0.00 0.00 177.39 177.43 2kax s SER 30 N -1.50 6.81 0.28 1.45 1.04 -1.26 -1.41 113.70 119.10 2kax s SER 30 Ca 0.05 1.57 0.02 0.00 0.48 0.00 0.00 55.95 58.07 2kax s SER 30 Cb -0.00 -2.50 0.63 0.00 0.10 0.00 0.00 66.02 64.25 2kax s SER 30 CO -0.00 -0.40 1.76 0.03 0.98 0.00 0.00 173.24 175.61 2kax h ARG 31 N 1.64 0.65 -0.66 4.02 2.47 -0.39 -2.28 114.38 119.84 2kax h ARG 31 Ca -0.48 -0.04 0.14 0.00 -1.26 0.00 0.00 59.98 58.34 2kax h ARG 31 Cb 1.18 -0.15 -0.10 0.00 -1.65 0.00 0.00 29.97 29.25 2kax h ARG 31 CO 0.62 0.43 0.10 -0.22 0.56 0.00 0.00 179.97 181.45 2kax h LYS 32 N 0.67 0.20 0.13 0.04 3.64 -1.11 -2.82 116.57 117.32 2kax h LYS 32 Ca 0.52 -0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.57 2kax h LYS 32 Cb 0.78 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2kax h LYS 32 CO -0.38 0.13 -1.59 1.49 -2.27 0.00 0.00 179.45 176.83 2kax h GLU 33 N 0.21 0.27 -0.68 1.90 4.57 -1.70 -3.14 114.58 116.01 2kax h GLU 33 Ca 0.36 -0.45 0.10 0.00 -1.18 0.00 0.00 59.36 58.18 2kax h GLU 33 Cb 0.58 0.17 -0.08 0.00 -0.16 0.00 0.00 28.75 29.26 2kax h GLU 33 CO -0.49 1.13 0.30 1.25 -1.18 0.00 0.00 179.01 180.01 2kax h LEU 34 N 0.07 0.34 -0.89 1.64 5.85 -1.50 0.43 115.31 121.25 2kax h LEU 34 Ca -0.27 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.62 2kax h LEU 34 Cb 2.03 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 43.01 2kax h LEU 34 CO 0.16 0.19 0.54 0.50 -0.34 0.00 0.00 178.44 179.49 2kax h LYS 35 N 0.50 0.88 -0.15 1.25 3.64 -1.54 -1.42 116.57 119.73 2kax h LYS 35 Ca 0.34 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 2kax h LYS 35 Cb 0.41 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2kax h LYS 35 CO -0.30 0.58 -0.19 1.49 -2.27 0.00 0.00 179.45 178.76 2kax h GLU 36 N 0.91 0.39 -0.47 1.90 4.57 -1.27 -2.80 114.58 117.81 2kax h GLU 36 Ca 0.42 -0.22 0.09 0.00 -1.18 0.00 0.00 59.36 58.47 2kax h GLU 36 Cb 0.34 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.85 2kax h GLU 36 CO -0.23 0.79 -0.33 1.25 -1.18 0.00 0.00 179.01 179.31 2kax h LEU 37 N 0.02 -1.11 0.09 1.64 5.85 -0.74 -1.03 115.31 120.04 2kax h LEU 37 Ca 0.02 0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.95 2kax h LEU 37 Cb 0.74 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2kax h LEU 37 CO 0.04 -0.31 -0.11 0.40 -0.34 0.00 0.00 178.44 178.12 2kax h ILE 38 N -0.22 0.75 0.00 4.05 2.04 -1.20 0.93 117.51 123.87 2kax h ILE 38 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2kax h ILE 38 Cb 0.54 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2kax h ILE 38 CO -0.59 0.00 0.00 0.11 0.00 0.00 0.00 178.15 177.67 2kax h LYS 39 N -0.23 0.00 0.00 2.37 1.79 -1.24 -0.33 116.57 118.93 2kax h LYS 39 Ca 0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2kax h LYS 39 Cb 0.23 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2kax h LYS 39 CO -0.04 0.00 -0.20 0.87 -1.08 0.00 0.00 179.45 179.00 2kax h LYS 40 N 0.00 0.00 0.00 3.15 6.56 -0.87 -3.41 116.57 121.99 2kax h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2kax h LYS 40 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 2kax h LYS 40 CO 0.00 0.45 -0.22 0.39 -2.06 0.00 0.00 179.45 178.01 2kax n GLU 41 N -4.66 0.20 -3.79 3.15 -0.58 0.30 -4.58 120.64 110.67 2kax n GLU 41 Ca -0.08 0.12 -0.30 0.00 -0.42 0.00 0.00 57.16 56.49 2kax n GLU 41 Cb 0.27 -1.69 -0.15 0.00 -0.57 0.00 0.00 31.44 29.29 2kax n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kax s LEU 42 N -4.04 2.36 -0.32 -4.62 1.43 -0.13 -5.06 118.68 108.30 2kax s LEU 42 Ca 0.10 -1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 51.42 2kax s LEU 42 Cb 0.14 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 2kax s LEU 42 CO 0.63 -0.37 1.68 0.00 0.23 0.00 0.00 176.35 178.52 2kax n LEU 44 N 9.52 0.00 -2.89 0.00 4.77 -1.26 -4.93 117.00 122.21 2kax n LEU 44 Ca 0.21 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.87 2kax n LEU 44 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2kax n LEU 44 CO 0.68 0.00 1.96 0.61 -1.33 0.00 0.00 177.39 179.31 2kax n GLY 45 N -0.50 4.63 0.00 -0.72 0.00 -1.26 -0.69 105.19 106.64 2kax n GLY 45 Ca 0.00 -1.91 0.00 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 1.37 0.00 0.03 1.61 0.00 -1.26 -4.84 120.64 117.55 2kax n GLU 46 Ca 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.63 2kax n GLU 46 Cb 0.44 0.00 0.07 0.00 0.00 0.00 0.00 31.44 31.95 2kax n GLU 46 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 2kax h MET 47 N 0.00 0.45 -4.75 3.44 2.86 -1.90 -3.48 114.93 111.55 2kax h MET 47 Ca 0.00 -0.30 -0.29 0.00 -2.06 0.00 0.00 59.70 57.05 2kax h MET 47 Cb 0.00 0.04 -0.15 0.00 0.06 0.00 0.00 31.60 31.55 2kax h MET 47 CO 0.00 0.91 -0.63 0.21 1.06 0.00 0.00 176.91 178.45 2kax s LYS 48 N -3.89 1.22 0.00 1.72 2.47 0.13 -5.09 119.74 116.30 2kax s LYS 48 Ca -0.06 -1.63 0.00 0.00 -1.56 0.00 0.00 55.97 52.72 2kax s LYS 48 Cb 0.11 -0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.38 2kax s LYS 48 CO 0.83 -0.26 0.00 -0.85 0.16 0.00 0.00 175.35 175.23 2kax n GLU 49 N -0.32 0.00 -1.73 4.03 -0.00 -1.26 -4.22 120.64 117.14 2kax n GLU 49 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.16 56.72 2kax n GLU 49 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 32.06 2kax n GLU 49 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2kax s SER 50 N -1.94 6.44 0.00 -1.84 0.01 -1.26 -1.78 113.70 113.33 2kax s SER 50 Ca 0.00 2.73 0.00 0.00 1.31 0.00 0.00 55.95 59.99 2kax s SER 50 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2kax s SER 50 CO 0.00 -1.00 0.00 -1.20 0.41 0.00 0.00 173.24 171.45 2kax n SER 51 N 5.82 0.00 -0.20 2.44 7.64 -1.26 -4.72 113.62 123.34 2kax n SER 51 Ca 0.18 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.12 2kax n SER 51 Cb 0.39 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.93 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2kax h ILE 52 N 0.00 1.01 -0.12 0.44 -0.00 -1.85 -1.30 117.51 115.68 2kax h ILE 52 Ca 0.00 -0.26 -0.07 0.00 -0.00 0.00 0.00 64.86 64.52 2kax h ILE 52 Cb 0.00 0.17 -0.01 0.00 -0.00 0.00 0.00 36.82 36.98 2kax h ILE 52 CO 0.00 0.14 -0.25 -0.78 -0.00 0.00 0.00 178.15 177.26 2kax h ASP 53 N 0.77 0.21 0.17 2.16 3.58 -1.63 -1.98 116.42 119.70 2kax h ASP 53 Ca 0.33 -0.06 -0.26 0.00 0.42 0.00 0.00 57.03 57.46 2kax h ASP 53 Cb 0.30 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 41.31 2kax h ASP 53 CO -0.12 0.47 -1.19 -0.78 -2.88 0.00 0.00 179.24 174.74 2kax h ASP 54 N 0.20 0.57 -0.99 2.28 3.58 -1.63 -3.22 116.42 117.20 2kax h ASP 54 Ca 0.03 -0.92 0.07 0.00 0.42 0.00 0.00 57.03 56.62 2kax h ASP 54 Cb 0.55 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.35 2kax h ASP 54 CO 0.04 1.56 0.64 -0.07 -2.88 0.00 0.00 179.24 178.53 2kax h LEU 55 N -0.18 1.03 0.07 2.28 3.38 -1.16 0.52 115.31 121.24 2kax h LEU 55 Ca -0.22 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2kax h LEU 55 Cb 1.85 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 2kax h LEU 55 CO 0.17 0.65 -0.48 0.24 0.09 0.00 0.00 178.44 179.11 2kax h MET 56 N 1.16 -0.63 0.00 1.13 2.86 -1.52 -2.60 114.93 115.33 2kax h MET 56 Ca 0.43 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 2kax h MET 56 Cb 0.17 0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2kax h MET 56 CO -0.17 -0.42 0.00 0.87 1.06 0.00 0.00 176.91 178.25 2kax h LYS 57 N -0.66 0.00 0.00 1.72 6.56 -1.11 -3.07 116.57 120.02 2kax h LYS 57 Ca -0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2kax h LYS 57 Cb 0.68 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.34 2kax h LYS 57 CO -0.28 0.00 -0.21 0.77 -2.06 0.00 0.00 179.45 177.67 2kax h SER 58 N 0.00 0.00 0.02 0.86 0.02 0.35 0.23 113.55 115.03 2kax h SER 58 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kax h SER 58 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2kax h SER 58 CO 0.00 0.00 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.62 2kax h LEU 59 N 0.00 -0.02 0.00 5.07 3.38 -1.44 -3.34 115.31 118.96 2kax h LEU 59 Ca -0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2kax h LEU 59 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2kax h LEU 59 CO 0.00 0.80 0.00 -0.67 0.09 0.00 0.00 178.44 178.66 2kax n ASP 60 N -4.70 0.00 0.21 -0.43 -0.08 -1.17 -1.06 116.55 109.33 2kax n ASP 60 Ca -0.09 0.01 0.07 0.00 -1.51 0.00 0.00 54.79 53.27 2kax n ASP 60 Cb 0.38 -0.20 0.48 0.00 2.34 0.00 0.00 41.12 44.12 2kax n ASP 60 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2kax h LYS 61 N 0.00 0.00 0.00 -0.67 1.63 -0.66 -3.35 116.57 113.52 2kax h LYS 61 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kax h LYS 61 Cb 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2kax h LYS 61 CO 0.00 0.27 -0.43 0.09 -3.45 0.00 0.00 179.45 175.94 2kax n ASN 62 N -3.82 2.07 0.00 4.20 4.13 -1.14 -5.08 115.26 115.61 2kax n ASN 62 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 2kax n ASN 62 Cb 0.36 0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 2kax n ASN 62 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kax n SER 63 N -1.26 0.00 -0.58 6.41 2.88 -0.22 -4.23 113.62 116.62 2kax n SER 63 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2kax n SER 63 Cb 0.21 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.87 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 2.25 3.24 -4.94 -3.46 8.00 -1.26 -0.61 116.55 119.77 2kax n ASP 64 Ca 0.00 -2.87 -0.24 0.00 0.71 0.00 0.00 54.79 52.39 2kax n ASP 64 Cb 0.00 -0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 40.64 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 -2.54 3.47 0.61 -1.24 -0.21 -1.26 -4.93 119.66 113.56 2kax s GLN 65 Ca 0.35 -0.28 -0.10 0.00 0.02 0.00 0.00 55.36 55.35 2kax s GLN 65 Cb 0.28 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 2kax s GLN 65 CO 0.07 0.08 1.01 -1.21 -2.12 0.00 0.00 175.29 173.13 2kax s GLU 66 N -4.39 3.53 0.02 2.91 2.02 -1.26 -1.69 118.70 119.84 2kax s GLU 66 Ca 0.41 0.67 0.00 0.00 0.02 0.00 0.00 54.97 56.08 2kax s GLU 66 Cb -0.10 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 2kax s GLU 66 CO 0.37 -0.57 -0.03 0.96 0.02 0.00 0.00 175.26 176.01 2kax s ILE 67 N -3.15 0.14 0.52 -1.63 -4.36 -0.50 -4.78 121.20 107.43 2kax s ILE 67 Ca 0.55 -0.79 0.09 0.00 -0.26 0.00 0.00 60.65 60.23 2kax s ILE 67 Cb -0.11 -0.26 0.06 0.00 1.25 0.00 0.00 42.46 43.40 2kax s ILE 67 CO 0.53 -0.41 0.71 1.51 0.24 0.00 0.00 174.94 177.52 2kax s ASP 68 N -1.26 5.29 0.61 4.36 -4.77 -1.26 -2.42 116.67 117.22 2kax s ASP 68 Ca -0.13 -0.67 0.26 0.00 -3.30 0.00 0.00 52.55 48.71 2kax s ASP 68 Cb -0.09 -0.08 1.40 0.00 -1.09 0.00 0.00 42.92 43.07 2kax s ASP 68 CO -0.01 -1.14 1.77 0.15 0.70 0.00 0.00 175.17 176.65 2kax h PHE 69 N 0.33 0.00 0.18 2.11 3.04 -1.97 -1.94 116.94 118.69 2kax h PHE 69 Ca -0.34 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.60 2kax h PHE 69 Cb 1.28 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.80 2kax h PHE 69 CO 0.41 0.00 -0.09 -0.22 -2.02 0.00 0.00 178.31 176.39 2kax h LYS 70 N 0.00 -0.24 0.00 1.11 3.64 -1.95 -0.55 116.57 118.59 2kax h LYS 70 Ca 0.00 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2kax h LYS 70 Cb 0.70 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2kax h LYS 70 CO 0.00 -0.06 -0.19 0.93 -2.27 0.00 0.00 179.45 177.85 2kax h GLU 71 N -0.36 0.00 0.32 1.90 5.08 -1.75 -0.18 114.58 119.59 2kax h GLU 71 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2kax h GLU 71 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kax h GLU 71 CO 0.04 0.19 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.17 2kax h TYR 72 N 0.00 -0.40 0.01 4.33 3.20 -1.55 -3.22 116.97 119.34 2kax h TYR 72 Ca -0.00 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.65 2kax h TYR 72 Cb 0.63 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2kax h TYR 72 CO 0.00 -0.08 -0.91 0.66 -1.64 0.00 0.00 178.16 176.19 2kax h SER 73 N -0.75 0.35 -0.51 -2.11 4.64 -0.56 -1.80 113.55 112.81 2kax h SER 73 Ca -0.04 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 60.95 2kax h SER 73 Cb 0.50 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 2kax h SER 73 CO 0.07 1.09 0.17 -0.37 -0.87 0.00 0.00 176.83 176.92 2kax h VAL 74 N 0.15 1.22 -0.06 0.95 -1.51 -1.22 -0.72 116.25 115.05 2kax h VAL 74 Ca -0.06 -0.75 -0.08 0.00 -1.23 0.00 0.00 66.70 64.58 2kax h VAL 74 Cb 1.54 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2kax h VAL 74 CO 0.14 0.29 -0.28 0.15 -1.23 0.00 0.00 177.57 176.64 2kax h PHE 75 N 0.81 0.40 -0.67 5.19 3.04 -1.53 0.17 116.94 124.35 2kax h PHE 75 Ca 0.18 -0.17 0.10 0.00 3.98 0.00 0.00 57.97 62.06 2kax h PHE 75 Cb 0.24 -0.06 -0.07 0.00 2.56 0.00 0.00 35.95 38.62 2kax h PHE 75 CO 0.01 0.90 0.29 -0.07 -2.02 0.00 0.00 178.31 177.43 2kax h LEU 76 N -0.23 0.33 0.19 0.59 3.38 -1.29 0.69 115.31 118.97 2kax h LEU 76 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kax h LEU 76 Cb 0.94 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2kax h LEU 76 CO 0.06 0.18 -0.09 0.74 0.09 0.00 0.00 178.44 179.42 2kax h THR 77 N 0.49 0.91 -0.85 0.22 2.02 -1.06 -1.56 112.91 113.07 2kax h THR 77 Ca 0.34 -0.71 0.05 0.00 0.77 0.00 0.00 66.41 66.86 2kax h THR 77 Cb 0.41 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 2kax h THR 77 CO -0.30 0.16 0.54 -0.03 0.37 0.00 0.00 175.52 176.25 2kax h MET 78 N -0.62 0.98 -0.47 6.66 1.85 -0.50 -1.31 114.93 121.52 2kax h MET 78 Ca -0.03 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 58.93 2kax h MET 78 Cb 0.45 -0.22 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 2kax h MET 78 CO 0.04 0.65 0.00 1.25 -0.40 0.00 0.00 176.91 178.45 2kax h LEU 79 N 1.01 0.81 -0.76 3.39 5.85 -0.89 -2.82 115.31 121.89 2kax h LEU 79 Ca 0.36 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.86 2kax h LEU 79 Cb 0.10 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 2kax h LEU 79 CO -0.15 0.92 0.42 0.00 -0.34 0.00 0.00 178.44 179.29 2kax h MET 81 N 0.72 0.00 0.00 0.00 2.86 -1.02 -1.59 114.93 115.91 2kax h MET 81 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 2kax h MET 81 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2kax h MET 81 CO -0.24 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.73 2kax n ALA 82 N -2.07 2.53 -1.78 6.32 0.00 -0.59 -3.67 120.51 121.26 2kax n ALA 82 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2kax n ALA 82 Cb 0.13 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.17 0.00 1.39 0.00 0.18 -0.82 -4.93 117.16 111.81 2kax n TYR 83 Ca 0.18 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.96 2kax n TYR 83 Cb 0.18 0.04 0.03 0.00 -0.38 0.00 0.00 39.34 39.21 2kax n TYR 83 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2kax n ASN 84 N 0.00 0.77 0.13 9.48 3.02 -0.66 -3.92 115.26 124.09 2kax n ASN 84 Ca 0.00 -2.03 0.09 0.00 -0.03 0.00 0.00 54.58 52.61 2kax n ASN 84 Cb 0.60 -0.25 0.49 0.00 -0.61 0.00 0.00 39.78 40.01 2kax n ASN 84 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kax n ASP 85 N -0.17 0.48 0.04 6.41 5.75 -1.26 -0.89 116.55 126.91 2kax n ASP 85 Ca 0.02 0.71 0.02 0.00 -0.01 0.00 0.00 54.79 55.53 2kax n ASP 85 Cb 0.17 -0.78 0.11 0.00 -1.03 0.00 0.00 41.12 39.59 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 -2.13 0.14 -0.10 2.11 3.72 -1.25 -2.32 117.46 117.63 2kax n PHE 86 Ca -0.01 0.07 0.01 0.00 -0.05 0.00 0.00 57.45 57.48 2kax n PHE 86 Cb 0.04 -0.54 0.02 0.00 -0.94 0.00 0.00 39.48 38.06 2kax n PHE 86 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2kax n PHE 87 N -1.59 0.02 -1.65 1.38 3.72 -0.06 -5.06 117.46 114.21 2kax n PHE 87 Ca -0.00 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 2kax n PHE 87 Cb 0.10 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2kax n PHE 87 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2kax n LEU 88 N -0.55 0.00 0.00 4.37 7.99 -0.98 -5.06 117.00 122.77 2kax n LEU 88 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2kax n LEU 88 Cb 0.29 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 2kax n LEU 88 CO 0.00 -0.40 -0.26 -0.62 -1.51 0.00 0.00 177.39 174.60 2kax n GLU 89 N -0.80 2.66 -3.07 3.23 4.71 -1.26 -5.11 120.64 121.00 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 -0.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 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 -1.03 0.00 -0.23 1.62 2.03 -1.26 -5.05 116.55 112.64 2kax n ASP 90 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kax n ASP 90 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kax n ASP 90 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kax n ASN 91 N 0.22 0.21 0.00 1.67 5.15 -1.26 -5.13 115.26 116.12 2kax n ASN 91 Ca 0.00 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.05 2kax n ASN 91 Cb 0.00 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 2kax n ASN 91 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95