#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax s GLU 2 N 0.00 0.40 0.16 2.12 -1.05 -1.26 -5.19 118.70 113.88 2kax s GLU 2 Ca 0.00 0.17 0.06 0.00 -0.15 0.00 0.00 54.97 55.05 2kax s GLU 2 Cb 0.00 0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 2kax s GLU 2 CO 0.00 -0.07 -0.13 0.95 0.95 0.00 0.00 175.26 176.96 2kax s THR 3 N -0.33 1.43 -0.40 1.83 -4.23 -1.26 -5.09 115.64 107.59 2kax s THR 3 Ca -0.04 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.73 2kax s THR 3 Cb -0.03 -1.82 0.33 0.00 1.34 0.00 0.00 72.50 72.32 2kax s THR 3 CO 0.01 -0.58 1.75 1.55 -0.54 0.00 0.00 174.62 176.81 2kax h PRO 4 N 2.95 0.00 -0.56 3.99 0.13 -2.03 -2.89 132.00 133.59 2kax h PRO 4 Ca -0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 2kax h PRO 4 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2kax h PRO 4 CO 0.59 0.00 0.24 1.25 -0.23 0.00 0.00 178.00 179.85 2kax h LEU 5 N 0.00 0.76 -1.69 1.56 5.85 -2.01 -2.37 115.31 117.40 2kax h LEU 5 Ca 0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2kax h LEU 5 Cb 0.75 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2kax h LEU 5 CO 0.00 0.70 0.08 -0.08 -0.34 0.00 0.00 178.44 178.80 2kax h GLU 6 N 0.76 0.28 -0.05 1.25 4.57 -1.95 -0.82 114.58 118.61 2kax h GLU 6 Ca 0.19 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.36 2kax h GLU 6 Cb 0.17 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2kax h GLU 6 CO -0.02 0.24 0.05 0.87 -1.18 0.00 0.00 179.01 178.97 2kax h LYS 7 N 0.28 0.00 -0.11 1.92 1.79 -1.40 0.27 116.57 119.32 2kax h LYS 7 Ca 0.07 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.45 2kax h LYS 7 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2kax h LYS 7 CO -0.01 0.00 -0.28 0.00 -1.08 0.00 0.00 179.45 178.08 2kax h ALA 8 N 1.94 0.19 0.61 3.86 0.00 -1.07 -2.32 119.26 122.46 2kax h ALA 8 Ca 0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2kax h ALA 8 Cb 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kax h ALA 8 CO -0.00 0.20 -0.29 -0.07 0.00 0.00 0.00 179.25 179.08 2kax h LEU 9 N -0.04 -0.70 -0.89 0.00 -0.00 -1.04 0.33 115.31 112.97 2kax h LEU 9 Ca -0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.06 2kax h LEU 9 Cb 0.89 0.18 -0.17 0.00 -0.00 0.00 0.00 40.66 41.56 2kax h LEU 9 CO 0.06 -0.45 -0.22 0.74 -0.00 0.00 0.00 178.44 178.56 2kax h THR 10 N -0.89 0.11 -0.21 0.22 2.02 -0.67 0.19 112.91 113.68 2kax h THR 10 Ca -0.08 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 2kax h THR 10 Cb 0.66 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2kax h THR 10 CO 0.14 0.00 -0.00 0.74 0.37 0.00 0.00 175.52 176.77 2kax h THR 11 N -0.00 1.26 0.09 3.16 2.02 -1.13 -0.69 112.91 117.61 2kax h THR 11 Ca 0.43 -0.89 0.01 0.00 0.77 0.00 0.00 66.41 66.73 2kax h THR 11 Cb 0.65 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2kax h THR 11 CO -0.92 0.27 -0.15 0.24 0.37 0.00 0.00 175.52 175.33 2kax h MET 12 N 0.13 -0.29 -0.41 6.66 2.07 0.04 -0.94 114.93 122.19 2kax h MET 12 Ca 0.06 0.02 -0.10 0.00 -2.07 0.00 0.00 59.70 57.60 2kax h MET 12 Cb 0.40 0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.18 2kax h MET 12 CO 0.01 -0.19 -0.17 -0.39 1.07 0.00 0.00 176.91 177.24 2kax h VAL 13 N -0.30 1.26 -0.08 -2.22 -1.51 -0.63 0.25 116.25 113.03 2kax h VAL 13 Ca 0.02 -1.26 0.02 0.00 -1.23 0.00 0.00 66.70 64.25 2kax h VAL 13 Cb 0.31 1.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 2kax h VAL 13 CO -0.08 0.42 -0.02 0.74 -1.23 0.00 0.00 177.57 177.40 2kax h THR 14 N 0.69 0.91 -0.00 7.19 2.02 -1.07 -0.65 112.91 122.01 2kax h THR 14 Ca 0.11 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 2kax h THR 14 Cb 0.67 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2kax h THR 14 CO 0.05 0.00 -0.63 0.74 0.37 0.00 0.00 175.52 176.05 2kax h THR 15 N -0.01 1.45 0.23 3.16 2.02 -0.61 -1.09 112.91 118.06 2kax h THR 15 Ca 0.04 -2.14 -0.01 0.00 0.77 0.00 0.00 66.41 65.06 2kax h THR 15 Cb 0.06 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2kax h THR 15 CO -0.08 0.61 -0.11 0.15 0.37 0.00 0.00 175.52 176.46 2kax h PHE 16 N 0.00 -0.29 -0.00 3.16 3.04 -0.96 -3.35 116.94 118.54 2kax h PHE 16 Ca -0.01 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 2kax h PHE 16 Cb 1.11 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.71 2kax h PHE 16 CO 0.00 0.09 -0.02 1.25 -2.02 0.00 0.00 178.31 177.61 2kax h HIS 17 N -0.89 0.00 0.00 0.41 2.76 -1.01 -1.76 115.15 114.65 2kax h HIS 17 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2kax h HIS 17 Cb 0.50 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2kax h HIS 17 CO 0.06 0.02 0.49 -0.22 -1.30 0.00 0.00 177.93 176.97 2kax h LYS 18 N 0.00 0.00 -0.00 5.26 3.64 -1.33 0.42 116.57 124.55 2kax h LYS 18 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kax h LYS 18 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2kax h LYS 18 CO 0.00 0.00 -0.21 0.66 -2.27 0.00 0.00 179.45 177.63 2kax n TYR 19 N -2.70 0.00 -0.10 1.91 4.02 -0.66 -4.80 117.16 114.82 2kax n TYR 19 Ca -0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.68 2kax n TYR 19 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.77 2kax n TYR 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2kax n SER 20 N -0.44 1.73 0.00 7.72 7.64 0.03 -4.64 113.62 125.65 2kax n SER 20 Ca 0.03 0.30 0.04 0.00 1.01 0.00 0.00 58.87 60.25 2kax n SER 20 Cb 0.17 -0.70 0.24 0.00 -1.01 0.00 0.00 64.21 62.92 2kax n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kax n GLY 21 N 1.58 -0.51 0.15 0.23 0.00 -0.54 -1.65 105.19 104.45 2kax n GLY 21 Ca -0.35 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.27 0.00 1.61 3.08 -1.82 -3.41 114.38 113.56 2kax h ARG 22 Ca 0.00 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2kax h ARG 22 Cb 0.00 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2kax h ARG 22 CO 0.00 -0.07 -1.17 0.39 -1.07 0.00 0.00 179.97 178.06 2kax n GLU 23 N -5.14 0.69 0.00 0.04 4.71 -0.66 -5.12 120.64 115.16 2kax n GLU 23 Ca -0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 2kax n GLU 23 Cb 0.19 -1.08 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kax n GLY 24 N 2.39 -0.72 2.91 0.62 0.00 -0.91 -5.12 105.19 104.37 2kax n GLY 24 Ca -0.01 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.22 0.19 1.61 7.64 -1.26 -4.20 113.62 117.39 2kax n SER 25 Ca 0.00 -0.04 0.14 0.00 1.01 0.00 0.00 58.87 59.98 2kax n SER 25 Cb 0.00 -0.66 0.61 0.00 -1.01 0.00 0.00 64.21 63.15 2kax n SER 25 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2kax h LYS 26 N 9.71 0.00 -0.01 1.43 1.57 -1.98 -1.46 116.57 125.84 2kax h LYS 26 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2kax h LYS 26 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2kax h LYS 26 CO 1.22 0.00 -0.59 1.47 -0.57 0.00 0.00 179.45 180.98 2kax n LEU 27 N -2.56 1.43 -4.30 2.94 -0.00 -1.26 -4.72 117.00 108.54 2kax n LEU 27 Ca 0.01 -0.53 -0.16 0.00 -0.00 0.00 0.00 56.01 55.33 2kax n LEU 27 Cb 0.22 -0.04 -0.10 0.00 -0.00 0.00 0.00 43.42 43.50 2kax n LEU 27 CO 0.21 0.29 -0.24 0.42 -0.00 0.00 0.00 177.39 178.07 2kax s THR 28 N -2.68 0.40 0.17 1.47 -4.23 -0.55 -3.73 115.64 106.50 2kax s THR 28 Ca 0.16 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.42 2kax s THR 28 Cb 0.18 -2.59 0.06 0.00 1.34 0.00 0.00 72.50 71.49 2kax s THR 28 CO 0.66 0.00 0.93 -1.48 -0.54 0.00 0.00 174.62 174.18 2kax s LEU 29 N -3.30 -0.19 0.54 4.79 2.34 -0.98 -4.64 118.68 117.24 2kax s LEU 29 Ca 0.38 -0.43 -0.19 0.00 0.06 0.00 0.00 54.13 53.95 2kax s LEU 29 Cb 0.07 2.24 -0.06 0.00 -0.56 0.00 0.00 46.19 47.88 2kax s LEU 29 CO 0.14 -0.96 1.08 -0.94 -1.06 0.00 0.00 176.35 174.61 2kax s SER 30 N -2.94 5.90 0.31 1.48 1.04 -1.26 -0.15 113.70 118.08 2kax s SER 30 Ca 0.12 2.00 0.07 0.00 0.48 0.00 0.00 55.95 58.61 2kax s SER 30 Cb -0.02 -2.56 0.76 0.00 0.10 0.00 0.00 66.02 64.29 2kax s SER 30 CO 0.03 -1.09 1.78 0.03 0.98 0.00 0.00 173.24 174.97 2kax h ARG 31 N 1.06 0.73 -0.09 4.02 2.47 -0.55 -1.75 114.38 120.27 2kax h ARG 31 Ca -0.49 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.18 2kax h ARG 31 Cb 1.24 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 2kax h ARG 31 CO 0.57 0.48 0.02 -0.22 0.56 0.00 0.00 179.97 181.39 2kax h LYS 32 N 0.75 0.16 0.00 0.04 1.63 -1.41 -2.98 116.57 114.77 2kax h LYS 32 Ca 0.57 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 60.14 2kax h LYS 32 Cb 0.90 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.50 2kax h LYS 32 CO -0.36 0.36 -0.86 1.49 -3.45 0.00 0.00 179.45 176.63 2kax h GLU 33 N -0.07 0.15 -0.87 1.90 4.57 -1.77 -3.05 114.58 115.43 2kax h GLU 33 Ca 0.03 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 2kax h GLU 33 Cb 0.28 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 2kax h GLU 33 CO 0.00 0.92 0.44 1.25 -1.18 0.00 0.00 179.01 180.44 2kax h LEU 34 N 0.08 1.12 -1.38 1.64 5.85 -1.37 0.36 115.31 121.61 2kax h LEU 34 Ca -0.04 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.67 2kax h LEU 34 Cb 1.48 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 2kax h LEU 34 CO 0.13 0.93 0.52 0.50 -0.34 0.00 0.00 178.44 180.17 2kax h LYS 35 N 1.24 0.65 0.20 1.25 3.11 -1.51 -3.07 116.57 118.43 2kax h LYS 35 Ca 0.30 -0.04 -0.29 0.00 -2.81 0.00 0.00 60.65 57.82 2kax h LYS 35 Cb 0.08 -0.15 0.03 0.00 -1.00 0.00 0.00 32.23 31.19 2kax h LYS 35 CO -0.04 0.43 -1.31 1.49 -2.81 0.00 0.00 179.45 177.20 2kax h GLU 36 N 0.67 0.42 -0.67 1.90 4.57 -1.02 -3.24 114.58 117.21 2kax h GLU 36 Ca 0.37 -0.72 0.13 0.00 -1.18 0.00 0.00 59.36 57.96 2kax h GLU 36 Cb 0.54 0.27 -0.10 0.00 -0.16 0.00 0.00 28.75 29.30 2kax h GLU 36 CO -0.14 1.34 0.16 1.25 -1.18 0.00 0.00 179.01 180.45 2kax h LEU 37 N -0.06 0.04 0.00 1.64 5.85 -0.98 0.13 115.31 121.93 2kax h LEU 37 Ca -0.24 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2kax h LEU 37 Cb 1.96 0.16 0.00 0.00 0.37 0.00 0.00 40.66 43.15 2kax h LEU 37 CO 0.20 0.01 0.00 -0.38 -0.34 0.00 0.00 178.44 177.93 2kax n ILE 38 N -5.12 0.82 0.23 4.05 5.41 -1.16 -1.38 119.36 122.21 2kax n ILE 38 Ca 0.11 0.21 0.03 0.00 1.00 0.00 0.00 62.75 64.10 2kax n ILE 38 Cb 0.38 -0.94 -0.04 0.00 -0.71 0.00 0.00 39.64 38.32 2kax n ILE 38 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2kax n LYS 39 N -1.43 3.82 -0.06 0.38 4.76 -0.56 -4.01 118.16 121.07 2kax n LYS 39 Ca 0.05 -0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.26 2kax n LYS 39 Cb 0.16 -0.88 -0.13 0.00 -1.84 0.00 0.00 35.03 32.34 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 -1.28 0.68 -0.05 1.97 5.02 0.33 -4.57 118.16 120.26 2kax n LYS 40 Ca 0.01 0.33 -0.21 0.00 -2.02 0.00 0.00 58.31 56.42 2kax n LYS 40 Cb 0.12 -1.67 -0.13 0.00 -0.02 0.00 0.00 35.03 33.33 2kax n LYS 40 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2kax n GLU 41 N -3.78 0.70 -2.79 1.97 -0.00 -0.48 -4.92 120.64 111.35 2kax n GLU 41 Ca -0.36 0.27 -0.42 0.00 -0.00 0.00 0.00 57.16 56.65 2kax n GLU 41 Cb 0.93 -1.66 -0.03 0.00 -0.00 0.00 0.00 31.44 30.68 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2kax s LEU 42 N -7.04 4.33 0.28 -1.84 0.20 -1.23 -4.96 118.68 108.43 2kax s LEU 42 Ca -0.27 1.52 -0.00 0.00 0.69 0.00 0.00 54.13 56.06 2kax s LEU 42 Cb 0.08 -3.44 0.41 0.00 -0.43 0.00 0.00 46.19 42.81 2kax s LEU 42 CO 0.69 -0.26 1.81 0.00 -0.29 0.00 0.00 176.35 178.31 2kax n LEU 44 N -4.26 -0.07 0.00 0.00 4.32 -1.26 -4.44 117.00 111.30 2kax n LEU 44 Ca 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 2kax n LEU 44 Cb 0.25 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 2kax n LEU 44 CO 0.40 -0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.01 2kax n GLY 45 N 1.02 0.00 0.28 -0.72 0.00 -0.97 -4.62 105.19 100.17 2kax n GLY 45 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 2kax n GLY 45 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kax h GLU 46 N 0.00 0.00 0.00 1.61 9.09 -2.02 -3.40 114.58 119.86 2kax h GLU 46 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2kax h GLU 46 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2kax h GLU 46 CO 0.00 0.08 -0.48 -1.33 0.05 0.00 0.00 179.01 177.33 2kax n MET 47 N -3.72 0.00 -4.06 1.06 2.81 -1.26 -5.07 117.12 106.88 2kax n MET 47 Ca -0.02 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.53 2kax n MET 47 Cb 0.18 -0.29 -0.15 0.00 -0.71 0.00 0.00 33.22 32.25 2kax n MET 47 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kax s LYS 48 N -2.00 3.12 -0.00 0.03 3.01 -1.26 -4.95 119.74 117.68 2kax s LYS 48 Ca 0.00 -0.76 -0.02 0.00 -1.01 0.00 0.00 55.97 54.18 2kax s LYS 48 Cb 0.00 -2.71 -0.01 0.00 -1.01 0.00 0.00 37.83 34.10 2kax s LYS 48 CO 0.00 -0.20 -0.05 -0.85 0.51 0.00 0.00 175.35 174.76 2kax n GLU 49 N 4.66 0.08 -0.06 1.68 -0.00 -1.26 -2.30 120.64 123.44 2kax n GLU 49 Ca -0.20 0.03 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 2kax n GLU 49 Cb 0.50 -0.63 0.00 0.00 -0.00 0.00 0.00 31.44 31.31 2kax n GLU 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2kax n SER 50 N -3.32 0.98 0.00 -1.84 3.41 -1.26 -1.65 113.62 109.94 2kax n SER 50 Ca -0.05 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 2kax n SER 50 Cb 0.39 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2kax n SER 50 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2kax n SER 51 N 1.38 0.00 0.12 4.04 7.64 -1.26 -4.88 113.62 120.66 2kax n SER 51 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2kax n SER 51 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.96 0.00 0.44 -0.00 -1.58 -3.34 117.51 114.00 2kax h ILE 52 Ca 0.00 -2.37 0.00 0.00 -0.00 0.00 0.00 64.86 62.49 2kax h ILE 52 Cb 0.00 2.47 0.00 0.00 -0.00 0.00 0.00 36.82 39.29 2kax h ILE 52 CO 0.00 0.55 0.00 -0.67 -0.00 0.00 0.00 178.15 178.03 2kax n ASP 53 N -3.23 0.00 -0.11 2.16 2.03 -0.82 -2.40 116.55 114.18 2kax n ASP 53 Ca 0.01 0.89 0.04 0.00 0.52 0.00 0.00 54.79 56.25 2kax n ASP 53 Cb 0.77 -0.39 0.37 0.00 -0.72 0.00 0.00 41.12 41.15 2kax n ASP 53 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kax h ASP 54 N 0.00 0.61 -0.07 1.67 3.58 -1.85 0.13 116.42 120.49 2kax h ASP 54 Ca 0.00 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2kax h ASP 54 Cb 0.00 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.91 2kax h ASP 54 CO 0.00 0.43 -0.14 -0.07 -2.88 0.00 0.00 179.24 176.57 2kax h LEU 55 N 0.71 0.24 -1.06 2.28 3.38 -1.71 -2.35 115.31 116.80 2kax h LEU 55 Ca 0.23 -0.57 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 2kax h LEU 55 Cb 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2kax h LEU 55 CO -0.06 0.77 -0.17 0.00 0.09 0.00 0.00 178.44 179.07 2kax h MET 56 N -0.27 0.47 0.00 1.13 -0.00 -0.86 -1.53 114.93 113.87 2kax h MET 56 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 2kax h MET 56 Cb 0.73 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.28 2kax h MET 56 CO 0.03 0.62 0.00 1.17 -0.00 0.00 0.00 176.91 178.74 2kax n LYS 57 N -4.18 0.03 0.00 -0.10 0.00 0.34 -2.02 118.16 112.23 2kax n LYS 57 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 58.31 58.29 2kax n LYS 57 Cb 0.35 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.74 2kax n LYS 57 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kax h SER 58 N 0.00 0.36 -0.33 3.14 0.87 -0.72 -3.39 113.55 113.48 2kax h SER 58 Ca 0.00 -0.84 0.06 0.00 -1.23 0.00 0.00 61.79 59.78 2kax h SER 58 Cb 0.28 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 2kax h SER 58 CO 0.00 1.62 -0.07 -0.07 -0.53 0.00 0.00 176.83 177.78 2kax h LEU 59 N -0.33 -0.28 -1.66 2.23 3.38 -1.00 -2.04 115.31 115.60 2kax h LEU 59 Ca -0.31 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2kax h LEU 59 Cb 1.75 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2kax h LEU 59 CO 0.04 -0.10 0.42 -0.78 0.09 0.00 0.00 178.44 178.12 2kax h ASP 60 N 0.01 0.00 1.55 -0.43 3.58 -1.63 -2.80 116.42 116.71 2kax h ASP 60 Ca 0.16 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2kax h ASP 60 Cb 0.24 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 2kax h ASP 60 CO -0.33 0.00 -0.04 0.11 -2.88 0.00 0.00 179.24 176.10 2kax h LYS 61 N 0.00 0.00 0.00 0.28 1.79 -1.55 -3.23 116.57 113.86 2kax h LYS 61 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kax h LYS 61 Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2kax h LYS 61 CO 0.00 0.04 -0.44 0.09 -1.08 0.00 0.00 179.45 178.07 2kax n ASN 62 N -3.12 1.99 0.00 0.86 5.03 -1.21 -5.06 115.26 113.75 2kax n ASN 62 Ca 0.02 -0.31 0.00 0.00 0.87 0.00 0.00 54.58 55.17 2kax n ASN 62 Cb 0.45 1.01 0.00 0.00 -1.02 0.00 0.00 39.78 40.23 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 -1.22 0.00 -0.12 6.41 2.88 -1.06 -3.99 113.62 116.52 2kax n SER 63 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2kax n SER 63 Cb 0.01 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.92 1.18 -4.76 -3.46 8.00 -1.26 -1.11 116.55 116.06 2kax n ASP 64 Ca 0.00 -1.09 -0.32 0.00 0.71 0.00 0.00 54.79 54.09 2kax n ASP 64 Cb 0.00 0.08 0.08 0.00 -0.02 0.00 0.00 41.12 41.26 2kax n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kax s GLN 65 N -0.35 2.31 0.29 -1.24 -2.07 -1.26 -4.83 119.66 112.51 2kax s GLN 65 Ca 0.04 1.30 -0.21 0.00 -1.82 0.00 0.00 55.36 54.66 2kax s GLN 65 Cb 0.03 -1.90 -0.09 0.00 -1.09 0.00 0.00 33.01 29.96 2kax s GLN 65 CO 0.05 -1.62 0.82 -1.21 -1.32 0.00 0.00 175.29 172.01 2kax s GLU 66 N -4.58 4.33 -0.07 9.60 2.02 -1.26 -1.87 118.70 126.87 2kax s GLU 66 Ca 0.64 1.02 0.03 0.00 0.02 0.00 0.00 54.97 56.69 2kax s GLU 66 Cb -0.19 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 2kax s GLU 66 CO 0.51 0.29 -0.15 0.42 0.02 0.00 0.00 175.26 176.35 2kax s ILE 67 N -1.67 2.96 0.40 -1.63 1.01 0.79 -4.87 121.20 118.19 2kax s ILE 67 Ca 0.49 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2kax s ILE 67 Cb -0.16 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 2kax s ILE 67 CO 0.21 0.57 0.59 1.51 0.00 0.00 0.00 174.94 177.82 2kax s ASP 68 N -0.44 5.91 0.64 3.58 -4.77 -1.26 -2.32 116.67 118.01 2kax s ASP 68 Ca 0.05 0.13 0.19 0.00 -3.30 0.00 0.00 52.55 49.62 2kax s ASP 68 Cb -0.12 -1.46 0.94 0.00 -1.09 0.00 0.00 42.92 41.19 2kax s ASP 68 CO 0.02 -0.58 1.51 0.15 0.70 0.00 0.00 175.17 176.97 2kax h PHE 69 N 0.60 0.00 -0.02 2.11 3.57 -1.99 -2.20 116.94 119.00 2kax h PHE 69 Ca -0.46 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 2kax h PHE 69 Cb 1.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 2kax h PHE 69 CO 0.44 0.00 -0.03 -0.22 -2.23 0.00 0.00 178.31 176.28 2kax h LYS 70 N 0.00 0.06 -0.19 1.11 3.64 -1.94 -1.41 116.57 117.83 2kax h LYS 70 Ca 0.11 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2kax h LYS 70 Cb 1.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2kax h LYS 70 CO -0.00 0.57 -0.08 0.93 -2.27 0.00 0.00 179.45 178.59 2kax h GLU 71 N -0.44 0.29 -0.23 1.90 5.08 -1.80 -2.13 114.58 117.25 2kax h GLU 71 Ca 0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2kax h GLU 71 Cb 0.56 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kax h GLU 71 CO 0.01 0.39 0.07 -0.92 -1.00 0.00 0.00 179.01 177.56 2kax h TYR 72 N 0.28 0.37 -0.49 4.33 3.20 -1.57 -0.59 116.97 122.50 2kax h TYR 72 Ca 0.06 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 2kax h TYR 72 Cb 0.33 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2kax h TYR 72 CO 0.01 0.43 -0.16 0.66 -1.64 0.00 0.00 178.16 177.46 2kax h SER 73 N 0.20 0.99 0.58 -2.11 4.64 -0.99 -2.25 113.55 114.61 2kax h SER 73 Ca 0.07 -0.37 -0.14 0.00 -0.47 0.00 0.00 61.79 60.88 2kax h SER 73 Cb 0.23 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2kax h SER 73 CO -0.00 1.14 -0.64 -0.37 -0.87 0.00 0.00 176.83 176.09 2kax h VAL 74 N 0.84 1.44 -0.20 0.95 -1.51 -1.36 -1.34 116.25 115.07 2kax h VAL 74 Ca 0.12 -2.16 -0.04 0.00 -1.23 0.00 0.00 66.70 63.39 2kax h VAL 74 Cb 0.73 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 2kax h VAL 74 CO 0.06 0.62 -0.03 0.15 -1.23 0.00 0.00 177.57 177.13 2kax h PHE 75 N 0.04 0.41 -0.54 5.19 3.04 -1.01 0.22 116.94 124.29 2kax h PHE 75 Ca -0.01 -0.08 -0.08 0.00 3.98 0.00 0.00 57.97 61.77 2kax h PHE 75 Cb 1.14 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 2kax h PHE 75 CO 0.01 0.61 0.01 -0.07 -2.02 0.00 0.00 178.31 176.84 2kax h LEU 76 N 0.10 0.92 0.02 0.59 3.38 -1.43 -1.08 115.31 117.83 2kax h LEU 76 Ca 0.05 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2kax h LEU 76 Cb 0.46 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kax h LEU 76 CO 0.02 1.00 -0.02 0.74 0.09 0.00 0.00 178.44 180.26 2kax h THR 77 N 0.82 0.95 -0.91 0.22 2.02 -1.20 -0.81 112.91 114.00 2kax h THR 77 Ca 0.15 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.38 2kax h THR 77 Cb 0.52 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 67.82 2kax h THR 77 CO 0.03 0.00 0.58 -0.03 0.37 0.00 0.00 175.52 176.46 2kax h MET 78 N -0.05 1.05 -0.18 6.66 1.85 -0.43 0.09 114.93 123.92 2kax h MET 78 Ca 0.00 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 58.98 2kax h MET 78 Cb 0.05 -0.24 -0.00 0.00 0.43 0.00 0.00 31.60 31.84 2kax h MET 78 CO -0.01 0.70 -0.08 1.25 -0.40 0.00 0.00 176.91 178.37 2kax h LEU 79 N 1.09 0.38 -0.04 3.39 7.12 -1.09 -2.75 115.31 123.41 2kax h LEU 79 Ca 0.38 -0.41 0.02 0.00 0.13 0.00 0.00 57.88 58.00 2kax h LEU 79 Cb 0.09 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.09 2kax h LEU 79 CO -0.15 0.70 -0.09 0.00 -0.13 0.00 0.00 178.44 178.78 2kax h MET 81 N -0.13 0.00 0.00 0.00 -0.00 -1.08 -1.42 114.93 112.30 2kax h MET 81 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 2kax h MET 81 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 2kax h MET 81 CO -0.12 0.11 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2kax n ALA 82 N -2.22 1.98 -1.08 -3.00 0.00 -0.95 -3.04 120.51 112.21 2kax n ALA 82 Ca -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.35 2kax n ALA 82 Cb 0.27 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.11 0.00 1.08 0.00 0.18 -0.55 -4.93 117.16 111.83 2kax n TYR 83 Ca 0.10 -0.17 0.12 0.00 1.88 0.00 0.00 57.90 59.83 2kax n TYR 83 Cb 0.08 -0.03 0.19 0.00 -0.38 0.00 0.00 39.34 39.19 2kax n TYR 83 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2kax n ASN 84 N -0.20 1.01 0.00 9.48 3.02 -1.11 -3.90 115.26 123.55 2kax n ASN 84 Ca 0.01 -0.80 0.06 0.00 -0.03 0.00 0.00 54.58 53.82 2kax n ASN 84 Cb 0.52 0.38 0.30 0.00 -0.61 0.00 0.00 39.78 40.36 2kax n ASN 84 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kax n ASP 85 N -0.97 0.00 0.33 6.41 8.00 -1.26 -1.81 116.55 127.25 2kax n ASP 85 Ca 0.08 0.05 0.18 0.00 0.71 0.00 0.00 54.79 55.82 2kax n ASP 85 Cb 0.36 -0.25 0.97 0.00 -0.02 0.00 0.00 41.12 42.19 2kax n ASP 85 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2kax h PHE 86 N 0.00 0.00 -0.02 1.24 3.57 -1.99 -0.92 116.94 118.82 2kax h PHE 86 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kax h PHE 86 Cb 0.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2kax h PHE 86 CO 0.00 0.00 -0.04 1.19 -2.23 0.00 0.00 178.31 177.23 2kax n PHE 87 N -3.03 0.00 -4.13 0.41 3.72 -0.75 -4.99 117.46 108.70 2kax n PHE 87 Ca -0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 2kax n PHE 87 Cb 0.26 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.74 2kax n PHE 87 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kax s LEU 88 N -2.06 3.74 0.00 4.37 1.43 -0.35 -5.03 118.68 120.77 2kax s LEU 88 Ca 0.32 -0.26 0.27 0.00 -1.03 0.00 0.00 54.13 53.43 2kax s LEU 88 Cb 0.20 -2.29 0.83 0.00 0.03 0.00 0.00 46.19 44.96 2kax s LEU 88 CO 0.35 0.00 1.62 -0.62 0.23 0.00 0.00 176.35 177.93 2kax n GLU 89 N -0.87 0.50 -0.59 1.70 4.71 -1.26 -4.96 120.64 119.87 2kax n GLU 89 Ca -0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 57.16 56.82 2kax n GLU 89 Cb 0.57 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.50 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 -2.10 -0.26 1.62 2.03 -1.26 -4.82 116.55 110.73 2kax n ASP 90 Ca 0.10 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.42 2kax n ASP 90 Cb 0.33 -2.46 0.14 0.00 -0.72 0.00 0.00 41.12 38.40 2kax n ASP 90 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2kax h ASN 91 N 0.00 0.60 0.00 1.67 -1.24 -2.03 -3.57 115.58 111.01 2kax h ASN 91 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2kax h ASN 91 Cb 0.35 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.33 2kax h ASN 91 CO 0.00 0.36 0.00 0.29 -1.29 0.00 0.00 177.43 176.79