#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 -1.79 -2.88 3.17 4.07 -1.26 -5.11 120.64 116.85 2kax n GLU 2 Ca 0.00 1.04 -0.26 0.00 -0.06 0.00 0.00 57.16 57.88 2kax n GLU 2 Cb 0.00 -5.53 -0.00 0.00 -0.06 0.00 0.00 31.44 25.85 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2kax s THR 3 N -3.23 4.83 0.12 6.31 -4.23 -1.26 -5.04 115.64 113.14 2kax s THR 3 Ca 0.27 -0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.56 2kax s THR 3 Cb -0.04 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 2kax s THR 3 CO 0.69 -0.70 1.60 1.55 -0.54 0.00 0.00 174.62 177.22 2kax h PRO 4 N 0.38 0.63 -0.09 3.99 0.13 -1.99 -2.43 132.00 132.62 2kax h PRO 4 Ca -0.48 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 64.45 2kax h PRO 4 Cb 1.22 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kax h PRO 4 CO 0.61 0.69 -0.09 1.25 -0.23 0.00 0.00 178.00 180.23 2kax h LEU 5 N 0.47 0.23 -1.40 1.56 7.12 -1.98 -0.61 115.31 120.71 2kax h LEU 5 Ca 0.11 -0.50 0.33 0.00 0.13 0.00 0.00 57.88 57.96 2kax h LEU 5 Cb 0.37 -0.07 -0.10 0.00 -0.53 0.00 0.00 40.66 40.33 2kax h LEU 5 CO 0.01 0.68 0.73 -0.08 -0.13 0.00 0.00 178.44 179.65 2kax h GLU 6 N -0.21 0.26 0.00 1.25 4.81 -1.98 0.37 114.58 119.08 2kax h GLU 6 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kax h GLU 6 Cb 0.62 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2kax h GLU 6 CO 0.02 0.18 -1.37 0.36 -0.73 0.00 0.00 179.01 177.46 2kax n LYS 7 N -4.64 0.52 -0.04 1.92 -0.00 -0.91 -1.24 118.16 113.76 2kax n LYS 7 Ca 0.29 -0.03 -0.13 0.00 -0.00 0.00 0.00 58.31 58.44 2kax n LYS 7 Cb 1.08 -1.64 -0.08 0.00 -0.00 0.00 0.00 35.03 34.39 2kax n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kax h ALA 8 N 2.18 0.15 -0.95 0.58 0.00 0.10 0.65 119.26 121.96 2kax h ALA 8 Ca 0.00 -0.30 0.16 0.00 0.00 0.00 0.00 54.91 54.77 2kax h ALA 8 Cb 0.91 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 2kax h ALA 8 CO 0.00 -0.01 0.60 -0.07 0.00 0.00 0.00 179.25 179.77 2kax h LEU 9 N -0.16 0.71 -0.75 0.00 -0.00 -0.36 0.77 115.31 115.52 2kax h LEU 9 Ca 0.02 0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 57.90 2kax h LEU 9 Cb 0.62 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 2kax h LEU 9 CO 0.03 0.32 0.23 0.74 -0.00 0.00 0.00 178.44 179.76 2kax h THR 10 N 0.73 1.26 -0.85 0.22 2.02 -1.02 -0.87 112.91 114.41 2kax h THR 10 Ca 0.50 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2kax h THR 10 Cb 0.80 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2kax h THR 10 CO -0.27 0.36 0.50 0.74 0.37 0.00 0.00 175.52 177.22 2kax h THR 11 N 1.11 1.24 0.20 3.16 2.02 0.43 -0.42 112.91 120.65 2kax h THR 11 Ca 0.24 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2kax h THR 11 Cb 0.31 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2kax h THR 11 CO -0.01 0.25 -0.10 0.24 0.37 0.00 0.00 175.52 176.28 2kax h MET 12 N 1.18 -0.26 0.00 6.66 2.07 -0.41 -0.28 114.93 123.88 2kax h MET 12 Ca 0.30 0.02 -0.03 0.00 -2.07 0.00 0.00 59.70 57.92 2kax h MET 12 Cb -0.03 0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 29.75 2kax h MET 12 CO -0.06 0.04 -0.15 -0.39 1.07 0.00 0.00 176.91 177.43 2kax h VAL 13 N -0.59 0.95 0.23 -2.22 -1.51 -1.08 -0.58 116.25 111.45 2kax h VAL 13 Ca -0.03 -0.55 -0.01 0.00 -1.23 0.00 0.00 66.70 64.88 2kax h VAL 13 Cb 0.43 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 2kax h VAL 13 CO 0.05 0.15 -0.11 0.74 -1.23 0.00 0.00 177.57 177.17 2kax h THR 14 N 0.00 0.84 -0.13 7.19 2.02 -0.98 -1.28 112.91 120.56 2kax h THR 14 Ca -0.00 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 2kax h THR 14 Cb 0.30 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2kax h THR 14 CO 0.02 0.13 -0.24 0.71 0.37 0.00 0.00 175.52 176.50 2kax h THR 15 N -0.62 1.23 -0.01 3.16 1.35 -0.67 -0.02 112.91 117.33 2kax h THR 15 Ca -0.03 -1.09 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 2kax h THR 15 Cb 0.45 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2kax h THR 15 CO 0.05 0.33 -0.01 0.15 -0.25 0.00 0.00 175.52 175.80 2kax h PHE 16 N 0.21 0.03 0.00 4.73 3.57 -1.18 -3.20 116.94 121.11 2kax h PHE 16 Ca 0.04 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2kax h PHE 16 Cb 0.55 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2kax h PHE 16 CO 0.01 0.44 0.00 1.58 -2.23 0.00 0.00 178.31 178.11 2kax n HIS 17 N -4.87 0.38 0.33 0.41 -0.00 -0.48 -0.08 115.22 110.92 2kax n HIS 17 Ca -0.08 0.15 0.22 0.00 0.46 0.00 0.00 57.72 58.47 2kax n HIS 17 Cb 0.23 -0.75 1.17 0.00 -0.12 0.00 0.00 29.99 30.52 2kax n HIS 17 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 2kax h LYS 18 N 0.00 0.00 0.00 1.57 3.11 -0.99 -3.33 116.57 116.93 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 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.52 2kax h LYS 18 CO 0.00 0.00 -0.35 0.66 -2.81 0.00 0.00 179.45 176.95 2kax n TYR 19 N -3.14 0.00 -1.21 1.91 4.02 -0.41 -4.87 117.16 113.46 2kax n TYR 19 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.48 2kax n TYR 19 Cb 0.10 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 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 -3.33 3.95 0.00 7.72 7.64 0.89 -3.18 113.62 127.30 2kax n SER 20 Ca -0.00 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.25 2kax n SER 20 Cb 0.17 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 4.17 0.00 0.06 0.23 0.00 -0.67 -4.04 105.19 104.93 2kax n GLY 21 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.01 -3.83 1.61 3.08 -1.78 -3.48 114.38 109.97 2kax h ARG 22 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2kax h ARG 22 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 2kax h ARG 22 CO 0.00 0.08 -0.43 -1.21 -1.07 0.00 0.00 179.97 177.34 2kax s GLU 23 N -1.65 0.76 0.00 0.04 2.02 -1.26 -4.97 118.70 113.64 2kax s GLU 23 Ca -0.02 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.04 2kax s GLU 23 Cb -0.00 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.53 2kax s GLU 23 CO 0.06 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.53 2kax n GLY 24 N 0.16 1.53 3.51 -1.39 0.00 -1.26 -4.83 105.19 102.90 2kax n GLY 24 Ca -0.16 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.64 0.00 1.61 0.15 -1.26 -5.04 113.70 108.52 2kax s SER 25 Ca 0.00 0.76 0.24 0.00 0.70 0.00 0.00 55.95 57.65 2kax s SER 25 Cb 0.00 0.64 0.43 0.00 -1.71 0.00 0.00 66.02 65.38 2kax s SER 25 CO 0.00 -0.55 1.40 0.29 1.20 0.00 0.00 173.24 175.58 2kax n LYS 26 N 1.16 2.31 0.00 5.44 5.02 -1.26 -1.68 118.16 129.15 2kax n LYS 26 Ca -0.19 -1.95 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 2kax n LYS 26 Cb 0.57 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 1.23 0.00 -4.21 -0.35 4.77 -1.26 -4.71 117.00 112.48 2kax n LEU 27 Ca 0.17 -0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2kax n LEU 27 Cb 0.56 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 2kax n LEU 27 CO 0.15 0.00 -0.29 0.42 -1.33 0.00 0.00 177.39 176.35 2kax s THR 28 N -0.40 0.29 0.31 -5.08 -4.23 -1.26 -3.53 115.64 101.74 2kax s THR 28 Ca 0.00 -1.96 -0.19 0.00 -1.18 0.00 0.00 61.69 58.36 2kax s THR 28 Cb 0.00 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.61 2kax s THR 28 CO 0.00 -0.29 0.75 -1.48 -0.54 0.00 0.00 174.62 173.06 2kax s LEU 29 N -3.15 -0.17 0.27 4.79 2.34 -0.45 -4.52 118.68 117.79 2kax s LEU 29 Ca 0.30 -0.78 -0.29 0.00 0.06 0.00 0.00 54.13 53.42 2kax s LEU 29 Cb 0.07 2.76 -0.09 0.00 -0.56 0.00 0.00 46.19 48.37 2kax s LEU 29 CO 0.06 -1.45 0.95 -0.55 -1.06 0.00 0.00 176.35 174.31 2kax s SER 30 N -2.97 7.50 0.58 1.48 0.15 -1.26 -0.65 113.70 118.53 2kax s SER 30 Ca 0.12 1.93 0.28 0.00 0.70 0.00 0.00 55.95 58.99 2kax s SER 30 Cb -0.06 -2.60 1.60 0.00 -1.71 0.00 0.00 66.02 63.25 2kax s SER 30 CO 0.08 0.05 2.08 0.03 1.20 0.00 0.00 173.24 176.69 2kax h ARG 31 N 3.76 0.00 -0.98 5.44 3.08 -0.81 0.15 114.38 125.03 2kax h ARG 31 Ca -0.46 0.00 0.21 0.00 0.07 0.00 0.00 59.98 59.80 2kax h ARG 31 Cb 1.20 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.13 2kax h ARG 31 CO 0.67 0.00 0.57 -0.22 -1.07 0.00 0.00 179.97 179.91 2kax h LYS 32 N 0.00 0.63 0.14 0.04 1.63 -1.50 -2.81 116.57 114.71 2kax h LYS 32 Ca 0.10 -0.04 -0.32 0.00 -0.85 0.00 0.00 60.65 59.54 2kax h LYS 32 Cb 0.55 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2kax h LYS 32 CO -0.00 0.42 -1.61 0.93 -3.45 0.00 0.00 179.45 175.73 2kax h GLU 33 N 0.65 0.30 -0.35 1.90 4.39 -1.00 -3.15 114.58 117.32 2kax h GLU 33 Ca 0.59 -0.52 0.07 0.00 0.34 0.00 0.00 59.36 59.84 2kax h GLU 33 Cb 1.01 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.79 2kax h GLU 33 CO -0.43 1.18 -0.06 1.25 -1.16 0.00 0.00 179.01 179.80 2kax h LEU 34 N 0.08 -0.26 -1.56 1.33 5.85 -1.46 0.73 115.31 120.03 2kax h LEU 34 Ca -0.28 0.10 0.17 0.00 0.84 0.00 0.00 57.88 58.70 2kax h LEU 34 Cb 2.05 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 43.22 2kax h LEU 34 CO 0.17 -0.09 0.54 0.50 -0.34 0.00 0.00 178.44 179.22 2kax h LYS 35 N 0.03 0.40 0.08 1.25 3.11 -1.59 -2.27 116.57 117.59 2kax h LYS 35 Ca 0.17 -0.02 -0.17 0.00 -2.81 0.00 0.00 60.65 57.82 2kax h LYS 35 Cb 0.25 -0.09 0.02 0.00 -1.00 0.00 0.00 32.23 31.41 2kax h LYS 35 CO -0.33 0.26 -0.70 1.49 -2.81 0.00 0.00 179.45 177.36 2kax h GLU 36 N 0.41 0.33 -0.71 1.90 4.57 -1.08 -3.15 114.58 116.85 2kax h GLU 36 Ca 0.41 -0.46 0.14 0.00 -1.18 0.00 0.00 59.36 58.26 2kax h GLU 36 Cb 0.97 0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.62 2kax h GLU 36 CO -0.14 1.18 0.20 1.25 -1.18 0.00 0.00 179.01 180.32 2kax h LEU 37 N -0.29 0.09 -1.49 1.64 5.85 -0.68 0.06 115.31 120.49 2kax h LEU 37 Ca -0.11 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2kax h LEU 37 Cb 1.49 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 2kax h LEU 37 CO 0.13 0.02 -0.24 0.40 -0.34 0.00 0.00 178.44 178.41 2kax h ILE 38 N 0.32 0.82 0.00 4.05 2.04 -1.49 -1.63 117.51 121.62 2kax h ILE 38 Ca 0.39 -0.95 -0.33 0.00 1.00 0.00 0.00 64.86 64.98 2kax h ILE 38 Cb 0.62 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 2kax h ILE 38 CO -0.45 0.23 -2.10 1.17 0.00 0.00 0.00 178.15 177.00 2kax n LYS 39 N -3.74 0.67 -0.12 2.37 0.00 -0.74 -3.77 118.16 112.82 2kax n LYS 39 Ca -0.01 0.11 -0.23 0.00 0.00 0.00 0.00 58.31 58.18 2kax n LYS 39 Cb 0.35 -1.63 -0.12 0.00 0.00 0.00 0.00 35.03 33.63 2kax n LYS 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kax n LYS 40 N -2.85 0.64 -0.07 1.64 5.02 -0.07 -4.25 118.16 118.23 2kax n LYS 40 Ca -0.26 0.23 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 2kax n LYS 40 Cb 1.10 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 34.47 2kax n LYS 40 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2kax h GLU 41 N -0.38 0.00 -2.70 1.97 -0.00 -1.51 -3.40 114.58 108.55 2kax h GLU 41 Ca -0.59 0.00 -0.63 0.00 -0.00 0.00 0.00 59.36 58.14 2kax h GLU 41 Cb 1.78 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 30.49 2kax h GLU 41 CO -0.19 0.64 2.70 -0.11 -0.00 0.00 0.00 179.01 182.05 2kax n LEU 42 N -4.64 8.02 -3.58 3.06 0.00 -1.02 -4.81 117.00 114.04 2kax n LEU 42 Ca -0.09 -4.40 -0.41 0.00 0.00 0.00 0.00 56.01 51.11 2kax n LEU 42 Cb 0.34 -1.46 0.00 0.00 0.00 0.00 0.00 43.42 42.31 2kax n LEU 42 CO 0.21 2.01 2.07 0.00 0.00 0.00 0.00 177.39 181.67 2kax n LEU 44 N 1.42 0.10 0.00 0.00 4.77 -1.26 -4.92 117.00 117.11 2kax n LEU 44 Ca 0.55 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2kax n LEU 44 Cb 0.26 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2kax n LEU 44 CO 0.66 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2kax n GLY 45 N -0.01 2.37 1.98 -0.72 0.00 -1.26 -4.29 105.19 103.25 2kax n GLY 45 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 12.07 0.67 0.00 1.61 0.00 -1.26 -5.01 120.64 128.72 2kax n GLU 46 Ca 0.00 -0.67 0.08 0.00 0.00 0.00 0.00 57.16 56.56 2kax n GLU 46 Cb 0.00 0.28 0.44 0.00 0.00 0.00 0.00 31.44 32.16 2kax n GLU 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kax n MET 47 N -0.77 0.43 0.00 3.44 0.00 -1.26 -4.45 117.12 114.51 2kax n MET 47 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.62 2kax n MET 47 Cb 0.69 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.42 2kax n MET 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 2kax n LYS 48 N -1.04 0.00 0.00 3.17 0.00 -1.26 -4.97 118.16 114.06 2kax n LYS 48 Ca 0.11 0.44 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 2kax n LYS 48 Cb 0.06 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.59 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 -1.45 0.00 0.00 -1.58 2.13 -1.26 -4.92 120.64 113.56 2kax n GLU 49 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kax n GLU 49 Cb 0.01 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.72 2kax n GLU 49 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2kax n SER 50 N 9.02 0.14 0.00 4.31 2.88 -1.26 -4.95 113.62 123.76 2kax n SER 50 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kax n SER 50 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kax n SER 50 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2kax n SER 51 N 0.00 0.00 0.08 -3.46 2.88 -1.26 -4.16 113.62 107.70 2kax n SER 51 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2kax n SER 51 Cb 0.00 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 63.80 2kax n SER 51 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2kax n ILE 52 N 0.00 1.29 0.66 2.46 -6.64 -1.26 -1.53 119.36 114.34 2kax n ILE 52 Ca 0.00 0.49 0.12 0.00 -1.77 0.00 0.00 62.75 61.59 2kax n ILE 52 Cb 0.00 -1.43 0.24 0.00 -1.44 0.00 0.00 39.64 37.01 2kax n ILE 52 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 2kax n ASP 53 N -1.90 0.65 0.05 7.28 8.00 -1.26 -0.63 116.55 128.74 2kax n ASP 53 Ca 0.00 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.53 2kax n ASP 53 Cb 0.08 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 2kax n ASP 53 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2kax h ASP 54 N 0.00 0.60 -0.54 -2.24 3.58 -1.63 -2.48 116.42 113.71 2kax h ASP 54 Ca 0.00 -0.44 0.02 0.00 0.42 0.00 0.00 57.03 57.02 2kax h ASP 54 Cb 0.70 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 2kax h ASP 54 CO 0.00 1.22 0.34 -0.07 -2.88 0.00 0.00 179.24 177.85 2kax h LEU 55 N 0.30 0.57 -0.27 2.28 3.38 -1.23 0.80 115.31 121.14 2kax h LEU 55 Ca -0.07 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2kax h LEU 55 Cb 1.48 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 2kax h LEU 55 CO 0.15 0.40 0.11 0.24 0.09 0.00 0.00 178.44 179.43 2kax h MET 56 N 0.68 0.23 0.00 1.13 2.86 -0.99 -0.81 114.93 118.04 2kax h MET 56 Ca 0.21 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2kax h MET 56 Cb -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2kax h MET 56 CO -0.08 0.15 0.00 1.17 1.06 0.00 0.00 176.91 179.22 2kax n LYS 57 N -5.01 0.16 0.11 1.72 3.00 -0.87 -1.85 118.16 115.42 2kax n LYS 57 Ca -0.01 0.33 -0.01 0.00 -0.00 0.00 0.00 58.31 58.62 2kax n LYS 57 Cb 0.08 -1.77 -0.03 0.00 0.00 0.00 0.00 35.03 33.32 2kax n LYS 57 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2kax h SER 58 N 0.00 0.00 0.37 3.14 0.02 0.15 0.18 113.55 117.40 2kax h SER 58 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2kax h SER 58 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2kax h SER 58 CO 0.00 0.69 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.13 2kax h LEU 59 N 0.00 -0.42 -0.20 5.07 3.38 -0.67 -3.24 115.31 119.23 2kax h LEU 59 Ca -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kax h LEU 59 Cb 1.53 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2kax h LEU 59 CO 0.09 -0.04 0.00 -0.67 0.09 0.00 0.00 178.44 177.91 2kax n ASP 60 N -5.16 0.13 0.04 -0.43 2.03 -0.77 -0.94 116.55 111.45 2kax n ASP 60 Ca -0.10 -1.33 -0.19 0.00 0.52 0.00 0.00 54.79 53.69 2kax n ASP 60 Cb 0.28 -0.07 -0.14 0.00 -0.72 0.00 0.00 41.12 40.47 2kax n ASP 60 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kax h LYS 61 N 0.07 0.28 0.00 -0.67 1.63 -0.66 -3.42 116.57 113.80 2kax h LYS 61 Ca 0.00 -0.47 -0.30 0.00 -0.85 0.00 0.00 60.65 59.03 2kax h LYS 61 Cb 0.07 0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.82 2kax h LYS 61 CO 0.00 1.22 -2.01 0.09 -3.45 0.00 0.00 179.45 175.30 2kax n ASN 62 N -4.17 1.58 0.00 4.20 4.13 -1.21 -5.01 115.26 114.78 2kax n ASN 62 Ca -0.13 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.28 2kax n ASN 62 Cb 0.79 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.55 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 -3.65 0.00 -2.07 6.41 2.88 -0.11 -4.33 113.62 112.75 2kax n SER 63 Ca -0.35 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 56.93 2kax n SER 63 Cb 0.77 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.30 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 3.03 5.82 -4.11 -3.46 8.00 -1.26 -1.02 116.55 123.55 2kax n ASP 64 Ca 0.00 -3.77 -0.08 0.00 0.71 0.00 0.00 54.79 51.65 2kax n ASP 64 Cb 0.00 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 40.35 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 -3.65 0.70 0.38 -1.24 0.00 -1.26 -5.04 119.66 109.55 2kax s GLN 65 Ca 0.56 -1.28 -0.24 0.00 -0.00 0.00 0.00 55.36 54.41 2kax s GLN 65 Cb 0.45 0.22 -0.10 0.00 0.00 0.00 0.00 33.01 33.58 2kax s GLN 65 CO 0.02 -0.15 0.97 -1.21 0.00 0.00 0.00 175.29 174.92 2kax s GLU 66 N -3.96 4.33 0.20 9.60 2.02 -1.26 -2.59 118.70 127.05 2kax s GLU 66 Ca 0.12 1.30 0.07 0.00 0.02 0.00 0.00 54.97 56.47 2kax s GLU 66 Cb 0.08 -2.50 -0.05 0.00 0.10 0.00 0.00 34.13 31.76 2kax s GLU 66 CO -0.07 0.05 -0.11 0.96 0.02 0.00 0.00 175.26 176.11 2kax s ILE 67 N -1.83 1.56 0.58 -1.63 -4.36 0.18 -4.87 121.20 110.82 2kax s ILE 67 Ca 0.57 -2.16 0.09 0.00 -0.26 0.00 0.00 60.65 58.89 2kax s ILE 67 Cb -0.16 -2.08 0.08 0.00 1.25 0.00 0.00 42.46 41.55 2kax s ILE 67 CO 0.21 -0.57 0.75 1.51 0.24 0.00 0.00 174.94 177.08 2kax s ASP 68 N -3.30 5.02 0.62 4.36 -4.77 -1.26 -1.34 116.67 116.00 2kax s ASP 68 Ca 0.23 -0.92 0.30 0.00 -3.30 0.00 0.00 52.55 48.86 2kax s ASP 68 Cb 0.01 0.35 1.64 0.00 -1.09 0.00 0.00 42.92 43.83 2kax s ASP 68 CO 0.06 -1.34 2.00 2.19 0.70 0.00 0.00 175.17 178.79 2kax h PHE 69 N 0.23 0.00 0.14 2.11 -5.15 -1.97 -2.41 116.94 109.88 2kax h PHE 69 Ca -0.30 0.00 -0.27 0.00 -0.20 0.00 0.00 57.97 57.19 2kax h PHE 69 Cb 1.29 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.47 2kax h PHE 69 CO 0.51 0.00 -1.35 -0.22 -2.00 0.00 0.00 178.31 175.24 2kax h LYS 70 N 0.00 0.30 -0.75 6.09 3.64 -1.95 -0.51 116.57 123.39 2kax h LYS 70 Ca 0.10 -0.51 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 2kax h LYS 70 Cb 0.73 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 2kax h LYS 70 CO -0.00 1.24 0.49 0.93 -2.27 0.00 0.00 179.45 179.85 2kax h GLU 71 N -0.23 0.91 -0.03 1.90 4.39 -1.95 -0.03 114.58 119.54 2kax h GLU 71 Ca -0.28 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 2kax h GLU 71 Cb 1.81 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 30.26 2kax h GLU 71 CO 0.11 0.60 0.02 -0.92 -1.16 0.00 0.00 179.01 177.66 2kax h TYR 72 N 0.94 0.05 -0.29 4.33 3.20 -1.44 -2.73 116.97 121.02 2kax h TYR 72 Ca 0.29 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 2kax h TYR 72 Cb 0.02 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2kax h TYR 72 CO -0.00 0.15 -0.02 1.03 -1.64 0.00 0.00 178.16 177.69 2kax h SER 73 N -0.07 0.52 -0.08 -2.11 0.87 -0.54 -0.05 113.55 112.09 2kax h SER 73 Ca 0.01 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.22 2kax h SER 73 Cb 0.12 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2kax h SER 73 CO -0.00 0.72 -0.01 -0.37 -0.53 0.00 0.00 176.83 176.64 2kax h VAL 74 N 0.31 1.12 0.07 2.23 -1.51 -1.09 -0.87 116.25 116.51 2kax h VAL 74 Ca 0.08 -0.46 -0.15 0.00 -1.23 0.00 0.00 66.70 64.94 2kax h VAL 74 Cb 0.46 1.00 0.02 0.00 -2.13 0.00 0.00 31.29 30.64 2kax h VAL 74 CO 0.02 0.15 -0.64 0.15 -1.23 0.00 0.00 177.57 176.02 2kax h PHE 75 N 0.24 0.52 -0.96 5.19 3.04 -1.26 -1.62 116.94 122.09 2kax h PHE 75 Ca 0.06 -0.33 0.01 0.00 3.98 0.00 0.00 57.97 61.69 2kax h PHE 75 Cb 0.18 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 2kax h PHE 75 CO 0.00 1.20 0.63 -0.07 -2.02 0.00 0.00 178.31 178.06 2kax h LEU 76 N -0.31 1.11 -0.68 0.59 -0.00 -0.90 0.03 115.31 115.15 2kax h LEU 76 Ca -0.10 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.70 2kax h LEU 76 Cb 1.43 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 41.78 2kax h LEU 76 CO 0.12 0.80 0.24 0.74 -0.00 0.00 0.00 178.44 180.35 2kax h THR 77 N 1.31 1.25 -0.56 0.22 2.02 -1.23 -2.02 112.91 113.90 2kax h THR 77 Ca 0.35 -0.82 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 2kax h THR 77 Cb -0.15 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 2kax h THR 77 CO -0.08 0.32 -0.03 -0.03 0.37 0.00 0.00 175.52 176.08 2kax h MET 78 N 0.98 0.99 -0.05 6.66 1.85 -0.26 -0.87 114.93 124.23 2kax h MET 78 Ca 0.22 -0.31 -0.01 0.00 -0.61 0.00 0.00 59.70 58.99 2kax h MET 78 Cb 0.26 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.20 2kax h MET 78 CO -0.01 0.99 0.00 1.25 -0.40 0.00 0.00 176.91 178.74 2kax h LEU 79 N 0.90 0.09 -0.67 3.39 7.12 -0.98 -2.15 115.31 123.01 2kax h LEU 79 Ca 0.16 -0.30 0.11 0.00 0.13 0.00 0.00 57.88 57.98 2kax h LEU 79 Cb 0.56 -0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.59 2kax h LEU 79 CO 0.03 0.36 0.27 0.00 -0.13 0.00 0.00 178.44 178.98 2kax h MET 81 N 0.45 0.00 0.00 0.00 1.85 -1.04 -2.84 114.93 113.35 2kax h MET 81 Ca 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.44 2kax h MET 81 Cb 0.45 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.48 2kax h MET 81 CO -0.33 0.19 0.00 0.00 -0.40 0.00 0.00 176.91 176.36 2kax n ALA 82 N -2.23 1.84 -1.31 0.39 0.00 -0.69 -2.91 120.51 115.59 2kax n ALA 82 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.37 2kax n ALA 82 Cb 0.36 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.30 0.00 1.43 0.00 0.18 -1.09 -4.89 117.16 111.49 2kax n TYR 83 Ca 0.07 -0.11 0.14 0.00 1.88 0.00 0.00 57.90 59.88 2kax n TYR 83 Cb 0.13 -0.03 0.66 0.00 -0.38 0.00 0.00 39.34 39.72 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 -0.14 0.31 0.27 9.48 3.02 -1.11 -4.32 115.26 122.77 2kax n ASN 84 Ca 0.01 -0.45 0.18 0.00 -0.03 0.00 0.00 54.58 54.30 2kax n ASN 84 Cb 0.57 -0.13 0.86 0.00 -0.61 0.00 0.00 39.78 40.47 2kax n ASN 84 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2kax h ASP 85 N 0.36 0.00 0.07 6.41 2.03 -1.90 -1.62 116.42 121.77 2kax h ASP 85 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kax h ASP 85 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 2kax h ASP 85 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 179.24 178.70 2kax n PHE 86 N -2.87 0.00 1.02 4.15 3.01 -1.26 -1.13 117.46 120.38 2kax n PHE 86 Ca -0.01 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 2kax n PHE 86 Cb 0.17 -0.35 0.05 0.00 -0.01 0.00 0.00 39.48 39.33 2kax n PHE 86 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2kax n PHE 87 N -1.35 0.00 0.00 1.38 3.72 -0.61 -5.04 117.46 115.56 2kax n PHE 87 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2kax n PHE 87 Cb 0.03 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.41 0.00 0.00 4.37 7.99 -0.28 -5.10 117.00 124.38 2kax n LEU 88 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 2kax n LEU 88 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 2kax n LEU 88 CO 0.24 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.50 2kax n GLU 89 N 0.00 0.00 -3.09 3.23 4.71 -1.26 -5.03 120.64 119.20 2kax n GLU 89 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 57.01 2kax n GLU 89 Cb 0.00 -0.15 0.05 0.00 -1.01 0.00 0.00 31.44 30.33 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 0.00 -3.73 0.00 1.62 2.03 -1.26 -4.88 116.55 110.33 2kax n ASP 90 Ca 0.00 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.94 2kax n ASP 90 Cb 0.15 -3.43 0.00 0.00 -0.72 0.00 0.00 41.12 37.12 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 -1.78 0.00 0.00 1.67 2.85 -1.26 -5.30 115.26 111.44 2kax n ASN 91 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2kax n ASN 91 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 2kax n ASN 91 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44