#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 -4.30 0.03 0.00 -1.26 -5.05 120.64 110.06 2kax n GLU 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.90 2kax n GLU 2 Cb 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 31.44 31.32 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2kax s THR 3 N 0.00 3.17 0.09 3.84 -4.23 -1.26 -5.07 115.64 112.19 2kax s THR 3 Ca 0.00 -1.75 -0.18 0.00 -1.18 0.00 0.00 61.69 58.58 2kax s THR 3 Cb 0.00 -2.60 -0.07 0.00 1.34 0.00 0.00 72.50 71.17 2kax s THR 3 CO 0.00 -0.17 1.55 1.55 -0.54 0.00 0.00 174.62 177.01 2kax h PRO 4 N 2.71 0.47 -0.55 3.99 0.13 -2.01 -3.03 132.00 133.71 2kax h PRO 4 Ca -0.46 -0.14 -0.06 0.00 -0.87 0.00 0.00 66.00 64.47 2kax h PRO 4 Cb 1.22 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2kax h PRO 4 CO 0.55 0.61 0.11 1.25 -0.23 0.00 0.00 178.00 180.29 2kax h LEU 5 N 0.27 0.81 -1.18 1.56 5.85 -2.02 -1.57 115.31 119.04 2kax h LEU 5 Ca 0.08 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.70 2kax h LEU 5 Cb 0.38 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2kax h LEU 5 CO 0.01 0.81 0.57 -0.08 -0.34 0.00 0.00 178.44 179.41 2kax h GLU 6 N 0.83 0.99 0.00 1.25 4.57 -1.98 -1.12 114.58 119.12 2kax h GLU 6 Ca 0.18 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2kax h GLU 6 Cb 0.33 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2kax h GLU 6 CO 0.00 0.65 -0.01 0.87 -1.18 0.00 0.00 179.01 179.35 2kax h LYS 7 N 1.02 0.00 -0.06 1.92 1.79 -1.16 0.21 116.57 120.28 2kax h LYS 7 Ca 0.37 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.81 2kax h LYS 7 Cb 0.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2kax h LYS 7 CO -0.13 0.01 -0.05 0.00 -1.08 0.00 0.00 179.45 178.20 2kax h ALA 8 N 1.99 0.09 -0.46 3.86 0.00 -1.22 -2.98 119.26 120.54 2kax h ALA 8 Ca -0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2kax h ALA 8 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2kax h ALA 8 CO 0.00 -0.13 0.08 -0.07 0.00 0.00 0.00 179.25 179.13 2kax h LEU 9 N -0.27 0.73 -0.84 0.00 -0.00 -0.94 -2.02 115.31 111.97 2kax h LEU 9 Ca 0.01 -0.26 0.16 0.00 -0.00 0.00 0.00 57.88 57.80 2kax h LEU 9 Cb 0.53 -0.19 -0.16 0.00 -0.00 0.00 0.00 40.66 40.83 2kax h LEU 9 CO 0.01 0.80 -0.24 0.74 -0.00 0.00 0.00 178.44 179.75 2kax h THR 10 N 0.63 0.14 0.38 0.22 2.02 -0.77 0.14 112.91 115.67 2kax h THR 10 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 2kax h THR 10 Cb 0.38 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2kax h THR 10 CO 0.01 0.00 -0.18 0.74 0.37 0.00 0.00 175.52 176.46 2kax h THR 11 N -0.02 0.64 -0.86 3.16 2.02 -1.30 -1.74 112.91 114.82 2kax h THR 11 Ca 0.39 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.44 2kax h THR 11 Cb 0.61 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 2kax h THR 11 CO -0.87 0.03 0.55 0.24 0.37 0.00 0.00 175.52 175.85 2kax h MET 12 N -0.59 1.05 -0.13 6.66 2.07 -0.58 -2.27 114.93 121.14 2kax h MET 12 Ca -0.05 -0.06 -0.13 0.00 -2.07 0.00 0.00 59.70 57.38 2kax h MET 12 Cb 0.44 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 2kax h MET 12 CO 0.08 0.69 -0.50 -0.39 1.07 0.00 0.00 176.91 177.87 2kax h VAL 13 N 1.08 1.34 -0.01 -2.22 -1.51 -0.72 -1.76 116.25 112.45 2kax h VAL 13 Ca 0.34 -1.73 -0.00 0.00 -1.23 0.00 0.00 66.70 64.08 2kax h VAL 13 Cb 0.01 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2kax h VAL 13 CO -0.12 0.52 0.00 0.74 -1.23 0.00 0.00 177.57 177.49 2kax h THR 14 N 0.27 1.20 -0.03 7.19 2.02 -0.86 -1.51 112.91 121.19 2kax h THR 14 Ca 0.01 -0.59 -0.14 0.00 0.77 0.00 0.00 66.41 66.46 2kax h THR 14 Cb 0.97 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2kax h THR 14 CO 0.08 0.15 -0.64 0.71 0.37 0.00 0.00 175.52 176.20 2kax h THR 15 N -0.22 1.43 -0.29 3.16 1.35 -1.45 -2.17 112.91 114.71 2kax h THR 15 Ca 0.00 -2.12 -0.18 0.00 -0.55 0.00 0.00 66.41 63.56 2kax h THR 15 Cb 0.25 2.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2kax h THR 15 CO 0.00 0.62 -0.52 0.15 -0.25 0.00 0.00 175.52 175.52 2kax h PHE 16 N 0.09 1.05 0.00 4.73 3.57 -1.32 -2.98 116.94 122.08 2kax h PHE 16 Ca -0.01 -0.36 -0.04 0.00 3.53 0.00 0.00 57.97 61.09 2kax h PHE 16 Cb 1.15 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2kax h PHE 16 CO 0.01 1.18 -0.19 1.25 -2.23 0.00 0.00 178.31 178.34 2kax h HIS 17 N 0.66 0.00 -0.06 0.41 2.76 -1.18 -0.72 115.15 117.02 2kax h HIS 17 Ca 0.02 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2kax h HIS 17 Cb 1.11 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.07 2kax h HIS 17 CO 0.07 0.19 0.08 -0.22 -1.30 0.00 0.00 177.93 176.75 2kax h LYS 18 N 0.00 0.00 0.00 5.26 3.64 -1.23 -1.60 116.57 122.65 2kax h LYS 18 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kax h LYS 18 Cb 0.41 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2kax h LYS 18 CO 0.02 0.00 -1.04 0.66 -2.27 0.00 0.00 179.45 176.83 2kax n TYR 19 N -3.70 0.00 -0.14 1.91 4.01 -1.04 -4.65 117.16 113.55 2kax n TYR 19 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.61 2kax n TYR 19 Cb 0.18 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.17 2kax n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2kax h SER 20 N 0.00 0.98 0.00 7.72 4.64 -1.22 -3.28 113.55 122.40 2kax h SER 20 Ca -0.02 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2kax h SER 20 Cb 1.03 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2kax h SER 20 CO 0.00 1.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.76 2kax n GLY 21 N -0.01 -0.45 0.11 -0.77 0.00 -0.60 -0.77 105.19 102.69 2kax n GLY 21 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 2kax n GLY 21 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kax n ARG 22 N -0.52 0.70 -1.35 1.61 1.85 -1.23 -5.05 116.66 112.67 2kax n ARG 22 Ca 0.01 -1.01 0.00 0.00 -1.00 0.00 0.00 57.85 55.85 2kax n ARG 22 Cb 0.00 -1.05 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2kax n GLU 23 N -0.03 2.46 -0.11 2.89 1.02 0.05 -5.06 120.64 121.86 2kax n GLU 23 Ca 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.17 2kax n GLU 23 Cb 0.14 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.62 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 4.64 1.21 3.53 0.62 0.00 -1.26 -4.88 105.19 109.05 2kax n GLY 24 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.30 -0.57 0.00 1.61 0.15 -1.26 -5.04 113.70 108.28 2kax s SER 25 Ca 0.07 0.57 0.10 0.00 0.70 0.00 0.00 55.95 57.39 2kax s SER 25 Cb 0.05 0.48 0.22 0.00 -1.71 0.00 0.00 66.02 65.06 2kax s SER 25 CO 0.03 -0.57 1.12 0.29 1.20 0.00 0.00 173.24 175.31 2kax n LYS 26 N 0.75 2.24 -0.08 5.44 5.02 -1.26 -4.06 118.16 126.21 2kax n LYS 26 Ca -0.16 -1.76 -0.09 0.00 -2.02 0.00 0.00 58.31 54.28 2kax n LYS 26 Cb 0.58 -1.23 -0.11 0.00 -0.02 0.00 0.00 35.03 34.26 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 0.44 0.96 -4.46 -0.35 7.99 -1.26 -4.97 117.00 115.35 2kax n LEU 27 Ca 0.09 -0.03 -0.22 0.00 -0.01 0.00 0.00 56.01 55.84 2kax n LEU 27 Cb 0.36 0.03 -0.11 0.00 -0.11 0.00 0.00 43.42 43.60 2kax n LEU 27 CO 0.07 0.51 -0.32 0.42 -1.51 0.00 0.00 177.39 176.56 2kax s THR 28 N -2.37 1.49 0.20 -5.08 -4.23 -1.26 -3.14 115.64 101.25 2kax s THR 28 Ca -0.13 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.16 2kax s THR 28 Cb 0.05 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.26 2kax s THR 28 CO 0.55 -0.15 0.50 -1.48 -0.54 0.00 0.00 174.62 173.51 2kax s LEU 29 N -3.49 0.20 0.56 4.79 2.34 -0.38 -4.55 118.68 118.15 2kax s LEU 29 Ca 0.33 -0.58 -0.19 0.00 0.06 0.00 0.00 54.13 53.75 2kax s LEU 29 Cb 0.07 2.02 -0.05 0.00 -0.56 0.00 0.00 46.19 47.66 2kax s LEU 29 CO 0.14 -1.06 1.10 -0.94 -1.06 0.00 0.00 176.35 174.53 2kax s SER 30 N -2.90 5.73 0.55 1.48 1.04 -1.26 -0.55 113.70 117.79 2kax s SER 30 Ca 0.12 2.07 0.27 0.00 0.48 0.00 0.00 55.95 58.89 2kax s SER 30 Cb -0.01 -2.57 1.61 0.00 0.10 0.00 0.00 66.02 65.16 2kax s SER 30 CO -0.01 -1.21 2.18 0.03 0.98 0.00 0.00 173.24 175.21 2kax h ARG 31 N 1.00 0.00 0.08 4.02 3.08 -0.95 -0.87 114.38 120.75 2kax h ARG 31 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2kax h ARG 31 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2kax h ARG 31 CO 0.57 0.05 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.23 2kax h LYS 32 N 0.00 -0.16 0.08 0.04 1.63 -1.70 -2.68 116.57 113.78 2kax h LYS 32 Ca -0.00 0.01 -0.25 0.00 -0.85 0.00 0.00 60.65 59.56 2kax h LYS 32 Cb 0.12 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 2kax h LYS 32 CO 0.01 -0.11 -1.14 0.93 -3.45 0.00 0.00 179.45 175.69 2kax h GLU 33 N -0.17 0.20 -0.70 1.90 4.39 -1.65 -3.18 114.58 115.38 2kax h GLU 33 Ca 0.00 -0.33 0.06 0.00 0.34 0.00 0.00 59.36 59.43 2kax h GLU 33 Cb 0.16 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 2kax h GLU 33 CO -0.01 1.14 0.40 1.25 -1.16 0.00 0.00 179.01 180.62 2kax h LEU 34 N 0.07 0.59 -1.19 1.33 5.85 -1.30 -0.45 115.31 120.21 2kax h LEU 34 Ca -0.09 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2kax h LEU 34 Cb 1.86 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.75 2kax h LEU 34 CO 0.18 0.38 0.57 0.50 -0.34 0.00 0.00 178.44 179.73 2kax h LYS 35 N 0.73 0.96 0.14 1.25 3.64 -1.50 -2.22 116.57 119.57 2kax h LYS 35 Ca 0.31 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2kax h LYS 35 Cb 0.19 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2kax h LYS 35 CO -0.18 0.64 -0.07 1.49 -2.27 0.00 0.00 179.45 179.06 2kax h GLU 36 N 0.99 -0.18 -0.64 1.90 4.57 -1.34 -3.28 114.58 116.60 2kax h GLU 36 Ca 0.37 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.69 2kax h GLU 36 Cb 0.18 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.72 2kax h GLU 36 CO -0.13 0.16 0.12 1.25 -1.18 0.00 0.00 179.01 179.23 2kax h LEU 37 N -0.54 -0.03 -2.03 1.64 5.85 -0.78 0.23 115.31 119.65 2kax h LEU 37 Ca -0.02 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2kax h LEU 37 Cb 0.42 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2kax h LEU 37 CO 0.03 -0.02 0.00 0.40 -0.34 0.00 0.00 178.44 178.51 2kax h ILE 38 N 0.24 0.00 0.00 4.05 2.04 -1.48 -1.73 117.51 120.63 2kax h ILE 38 Ca 0.35 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2kax h ILE 38 Cb 0.54 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2kax h ILE 38 CO -0.45 0.00 -1.39 0.29 0.00 0.00 0.00 178.15 176.60 2kax n LYS 39 N -3.06 0.95 -0.11 2.37 4.01 -0.68 -4.43 118.16 117.21 2kax n LYS 39 Ca -0.01 -0.10 -0.18 0.00 -0.51 0.00 0.00 58.31 57.52 2kax n LYS 39 Cb 0.21 -1.28 -0.07 0.00 -0.51 0.00 0.00 35.03 33.38 2kax n LYS 39 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2kax n LYS 40 N -1.82 0.54 0.01 1.97 4.01 -0.02 -4.63 118.16 118.24 2kax n LYS 40 Ca -0.01 0.38 -0.06 0.00 -0.51 0.00 0.00 58.31 58.11 2kax n LYS 40 Cb 0.32 -1.58 -0.11 0.00 -0.51 0.00 0.00 35.03 33.15 2kax n LYS 40 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2kax h GLU 41 N -1.00 0.00 -6.02 1.97 4.39 -1.55 -3.43 114.58 108.93 2kax h GLU 41 Ca -0.32 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.72 2kax h GLU 41 Cb 1.18 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.71 2kax h GLU 41 CO -0.19 0.51 -0.60 -1.17 -1.16 0.00 0.00 179.01 176.41 2kax s LEU 42 N -6.12 3.76 0.00 1.33 1.98 -1.20 -5.08 118.68 113.35 2kax s LEU 42 Ca -0.03 0.12 0.00 0.00 -2.89 0.00 0.00 54.13 51.33 2kax s LEU 42 Cb 0.08 -2.12 0.00 0.00 0.66 0.00 0.00 46.19 44.82 2kax s LEU 42 CO 0.82 0.30 0.00 0.00 -1.89 0.00 0.00 176.35 175.58 2kax h LEU 44 N 0.00 0.00 0.00 0.00 3.38 -1.97 -3.48 115.31 113.25 2kax h LEU 44 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kax h LEU 44 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kax h LEU 44 CO 0.00 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.07 2kax n GLY 45 N 1.46 -0.01 0.00 0.83 0.00 -1.26 -4.97 105.19 101.23 2kax n GLY 45 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.14 0.09 -0.61 1.61 0.00 -1.26 -5.14 120.64 114.19 2kax n GLU 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2kax n GLU 46 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 31.44 30.85 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 -1.55 -0.13 -2.05 3.44 2.81 -1.26 -5.05 117.12 113.32 2kax n MET 47 Ca 0.00 0.58 -0.37 0.00 -1.81 0.00 0.00 57.70 56.10 2kax n MET 47 Cb 0.09 -0.18 0.02 0.00 -0.71 0.00 0.00 33.22 32.43 2kax n MET 47 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2kax s LYS 48 N -2.79 3.37 0.07 0.03 2.47 -1.26 -4.92 119.74 116.71 2kax s LYS 48 Ca 0.00 1.92 -0.31 0.00 -1.56 0.00 0.00 55.97 56.03 2kax s LYS 48 Cb 0.00 -2.23 -0.07 0.00 -1.46 0.00 0.00 37.83 34.07 2kax s LYS 48 CO 0.00 -0.91 1.31 -1.21 0.16 0.00 0.00 175.35 174.70 2kax s GLU 49 N -2.93 4.36 0.00 4.03 8.01 -1.26 -4.66 118.70 126.24 2kax s GLU 49 Ca 0.70 1.93 0.00 0.00 0.01 0.00 0.00 54.97 57.61 2kax s GLU 49 Cb -0.32 -3.34 0.00 0.00 -4.31 0.00 0.00 34.13 26.16 2kax s GLU 49 CO 0.38 -0.39 0.00 0.45 0.01 0.00 0.00 175.26 175.71 2kax n SER 50 N 4.16 0.00 0.00 -0.19 2.88 -1.26 -4.97 113.62 114.24 2kax n SER 50 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2kax n SER 50 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2kax n SER 50 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kax n SER 51 N 0.00 0.00 -0.33 -3.46 7.64 -1.26 -4.45 113.62 111.76 2kax n SER 51 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2kax n SER 51 Cb 0.00 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 63.56 2kax n SER 51 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2kax h ILE 52 N 0.00 0.72 -0.82 0.44 2.10 -1.93 0.11 117.51 118.12 2kax h ILE 52 Ca 0.00 -0.24 -0.03 0.00 1.08 0.00 0.00 64.86 65.67 2kax h ILE 52 Cb 0.00 -0.05 -0.04 0.00 -1.09 0.00 0.00 36.82 35.64 2kax h ILE 52 CO 0.00 0.13 0.39 -0.78 -1.08 0.00 0.00 178.15 176.81 2kax h ASP 53 N 0.71 1.07 1.01 2.19 3.58 -1.91 0.19 116.42 123.26 2kax h ASP 53 Ca 0.55 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2kax h ASP 53 Cb 0.92 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2kax h ASP 53 CO -0.32 0.91 -0.79 -0.78 -2.88 0.00 0.00 179.24 175.38 2kax h ASP 54 N 1.17 0.00 -0.24 2.28 3.58 -1.79 -0.44 116.42 120.98 2kax h ASP 54 Ca 0.28 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.58 2kax h ASP 54 Cb 0.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2kax h ASP 54 CO -0.04 0.05 -0.10 -0.07 -2.88 0.00 0.00 179.24 176.20 2kax h LEU 55 N 0.00 0.50 -1.07 2.28 3.38 -0.47 0.66 115.31 120.59 2kax h LEU 55 Ca 0.00 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2kax h LEU 55 Cb 0.90 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2kax h LEU 55 CO 0.00 0.79 0.09 0.24 0.09 0.00 0.00 178.44 179.64 2kax h MET 56 N 0.21 0.75 0.00 1.13 2.86 -0.69 -0.72 114.93 118.46 2kax h MET 56 Ca 0.05 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2kax h MET 56 Cb 0.59 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2kax h MET 56 CO 0.03 0.70 0.00 1.17 1.06 0.00 0.00 176.91 179.87 2kax n LYS 57 N -4.27 0.00 -0.00 1.72 0.00 -0.18 -1.56 118.16 113.88 2kax n LYS 57 Ca 0.03 0.01 -0.17 0.00 0.00 0.00 0.00 58.31 58.18 2kax n LYS 57 Cb 0.24 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 33.66 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 0.53 -0.47 3.14 0.87 0.12 0.74 113.55 118.48 2kax h SER 58 Ca 0.00 -0.74 0.06 0.00 -1.23 0.00 0.00 61.79 59.88 2kax h SER 58 Cb 0.49 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.24 2kax h SER 58 CO 0.00 1.21 0.17 -0.07 -0.53 0.00 0.00 176.83 177.60 2kax h LEU 59 N -0.09 0.17 0.00 2.23 3.38 -1.03 -2.25 115.31 117.72 2kax h LEU 59 Ca -0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kax h LEU 59 Cb 1.28 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2kax h LEU 59 CO 0.11 0.13 0.00 -0.67 0.09 0.00 0.00 178.44 178.10 2kax n ASP 60 N -5.01 0.00 0.26 -0.43 2.03 -0.60 -2.61 116.55 110.19 2kax n ASP 60 Ca 0.04 -0.37 0.16 0.00 0.52 0.00 0.00 54.79 55.15 2kax n ASP 60 Cb 0.18 -0.12 0.63 0.00 -0.72 0.00 0.00 41.12 41.10 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 0.00 0.00 0.00 -0.67 1.63 -0.21 -3.43 116.57 113.89 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 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.09 2kax n ASN 62 N -3.01 0.00 0.00 4.20 5.03 -1.21 -5.10 115.26 115.17 2kax n ASN 62 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 2kax n ASN 62 Cb 0.32 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.08 2kax n ASN 62 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2kax n SER 63 N 0.00 0.00 -3.90 6.41 7.64 -1.07 -4.98 113.62 117.71 2kax n SER 63 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2kax n SER 63 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.00 4.46 -3.49 6.43 8.00 -1.26 -2.00 116.55 128.69 2kax n ASP 64 Ca 0.00 -3.27 -0.14 0.00 0.71 0.00 0.00 54.79 52.09 2kax n ASP 64 Cb 0.00 -0.98 -0.04 0.00 -0.02 0.00 0.00 41.12 40.08 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 -1.95 1.16 0.24 -1.24 -1.52 -1.26 -5.01 119.66 110.08 2kax s GLN 65 Ca 0.31 -0.22 -0.12 0.00 -1.95 0.00 0.00 55.36 53.39 2kax s GLN 65 Cb 0.01 0.53 -0.08 0.00 -0.22 0.00 0.00 33.01 33.26 2kax s GLN 65 CO -0.06 -0.45 0.59 -1.21 -0.25 0.00 0.00 175.29 173.92 2kax s GLU 66 N -2.74 3.88 0.05 2.91 2.02 -1.26 -1.58 118.70 121.97 2kax s GLU 66 Ca -0.04 0.40 0.07 0.00 0.02 0.00 0.00 54.97 55.43 2kax s GLU 66 Cb -0.01 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 2kax s GLU 66 CO -0.04 0.30 -0.20 0.42 0.02 0.00 0.00 175.26 175.76 2kax s ILE 67 N -1.80 1.65 0.65 -1.63 1.01 0.28 -4.89 121.20 116.47 2kax s ILE 67 Ca 0.48 -1.23 -0.00 0.00 0.00 0.00 0.00 60.65 59.90 2kax s ILE 67 Cb -0.12 -1.44 0.08 0.00 0.01 0.00 0.00 42.46 40.99 2kax s ILE 67 CO 0.20 0.17 0.91 1.51 0.00 0.00 0.00 174.94 177.73 2kax s ASP 68 N -1.25 4.76 0.48 3.58 1.47 -1.26 -1.24 116.67 123.21 2kax s ASP 68 Ca 0.07 -0.16 0.33 0.00 1.18 0.00 0.00 52.55 53.98 2kax s ASP 68 Cb -0.09 -0.45 1.45 0.00 -0.34 0.00 0.00 42.92 43.50 2kax s ASP 68 CO 0.02 -1.55 1.70 -0.26 0.68 0.00 0.00 175.17 175.75 2kax h PHE 69 N -0.29 0.31 -0.01 2.11 0.04 -1.95 -2.91 116.94 114.23 2kax h PHE 69 Ca -0.39 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.39 2kax h PHE 69 Cb 1.28 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 2kax h PHE 69 CO 0.08 -0.05 -0.01 -0.22 -0.60 0.00 0.00 178.31 177.51 2kax h LYS 70 N 0.11 0.02 0.00 1.51 3.64 -1.94 -2.02 116.57 117.89 2kax h LYS 70 Ca 0.72 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.95 2kax h LYS 70 Cb 2.48 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.28 2kax h LYS 70 CO -0.20 0.46 -0.75 0.93 -2.27 0.00 0.00 179.45 177.62 2kax h GLU 71 N -0.42 0.00 -0.31 1.90 4.39 -1.92 0.13 114.58 118.35 2kax h GLU 71 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 2kax h GLU 71 Cb 0.45 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 2kax h GLU 71 CO 0.00 0.64 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.52 2kax h TYR 72 N 0.00 -0.11 -0.19 4.33 3.20 -1.57 -2.22 116.97 120.40 2kax h TYR 72 Ca -0.02 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 2kax h TYR 72 Cb 1.53 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.90 2kax h TYR 72 CO 0.00 -0.11 -0.20 1.03 -1.64 0.00 0.00 178.16 177.24 2kax h SER 73 N 0.03 0.50 -0.03 -2.11 0.87 -0.47 -2.93 113.55 109.41 2kax h SER 73 Ca 0.15 -0.49 -0.04 0.00 -1.23 0.00 0.00 61.79 60.18 2kax h SER 73 Cb 0.22 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2kax h SER 73 CO -0.30 0.89 -0.08 -0.37 -0.53 0.00 0.00 176.83 176.44 2kax h VAL 74 N 0.13 1.16 0.08 2.23 -1.51 -0.83 -0.95 116.25 116.56 2kax h VAL 74 Ca 0.03 -0.66 -0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2kax h VAL 74 Cb 0.75 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 2kax h VAL 74 CO 0.05 0.21 -0.04 0.15 -1.23 0.00 0.00 177.57 176.71 2kax h PHE 75 N 0.25 -0.10 -0.55 5.19 3.04 -1.38 0.15 116.94 123.54 2kax h PHE 75 Ca 0.05 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 2kax h PHE 75 Cb 0.30 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 2kax h PHE 75 CO 0.00 0.10 0.31 -0.07 -2.02 0.00 0.00 178.31 176.64 2kax h LEU 76 N -0.29 0.68 -0.52 0.59 3.38 -1.30 -0.45 115.31 117.39 2kax h LEU 76 Ca -0.01 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2kax h LEU 76 Cb 0.25 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2kax h LEU 76 CO 0.02 0.56 0.29 0.74 0.09 0.00 0.00 178.44 180.14 2kax h THR 77 N 0.74 1.00 -0.44 0.22 2.02 -1.17 -1.59 112.91 113.70 2kax h THR 77 Ca 0.19 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2kax h THR 77 Cb 0.03 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2kax h THR 77 CO -0.03 0.10 -0.17 -0.03 0.37 0.00 0.00 175.52 175.76 2kax h MET 78 N 0.57 0.83 -0.42 6.66 1.85 -0.34 -2.69 114.93 121.39 2kax h MET 78 Ca 0.22 -0.31 -0.00 0.00 -0.61 0.00 0.00 59.70 58.99 2kax h MET 78 Cb 0.08 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 2kax h MET 78 CO -0.13 0.94 0.25 -0.07 -0.40 0.00 0.00 176.91 177.51 2kax h LEU 79 N 0.74 0.51 -1.59 3.39 -0.00 -0.85 -3.09 115.31 114.41 2kax h LEU 79 Ca 0.11 -0.06 0.09 0.00 -0.00 0.00 0.00 57.88 58.02 2kax h LEU 79 Cb 0.68 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 41.18 2kax h LEU 79 CO 0.05 0.41 0.41 0.00 -0.00 0.00 0.00 178.44 179.31 2kax h MET 81 N 0.47 0.00 -0.01 0.00 2.86 -1.43 -3.14 114.93 113.68 2kax h MET 81 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 2kax h MET 81 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2kax h MET 81 CO -0.08 0.00 -0.08 0.00 1.06 0.00 0.00 176.91 177.81 2kax n ALA 82 N -1.83 2.73 -1.44 6.32 0.00 -0.14 -4.45 120.51 121.70 2kax n ALA 82 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2kax n ALA 82 Cb 0.33 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.64 0.00 -3.33 0.00 0.18 -1.22 -4.94 117.16 107.21 2kax n TYR 83 Ca 0.17 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.63 2kax n TYR 83 Cb 0.27 0.05 -0.05 0.00 -0.38 0.00 0.00 39.34 39.23 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 4.56 0.18 9.48 3.02 -1.19 -4.88 115.26 126.44 2kax n ASN 84 Ca 0.00 -3.41 0.17 0.00 -0.03 0.00 0.00 54.58 51.31 2kax n ASN 84 Cb 0.41 -0.88 0.64 0.00 -0.61 0.00 0.00 39.78 39.35 2kax n ASN 84 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2kax h ASP 85 N 4.71 0.00 -0.27 6.41 5.19 -1.91 -1.85 116.42 128.70 2kax h ASP 85 Ca 0.20 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.68 2kax h ASP 85 Cb 0.66 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 2kax h ASP 85 CO 0.98 0.00 0.24 -0.26 -3.12 0.00 0.00 179.24 177.08 2kax h PHE 86 N 0.00 0.00 0.00 4.55 0.04 -2.01 -1.14 116.94 118.39 2kax h PHE 86 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2kax h PHE 86 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 2kax h PHE 86 CO 0.00 0.00 -0.12 1.19 -0.60 0.00 0.00 178.31 178.78 2kax n PHE 87 N -4.04 0.53 0.00 -0.55 3.72 -0.70 -4.78 117.46 111.65 2kax n PHE 87 Ca 0.04 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 2kax n PHE 87 Cb 0.39 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 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 -1.95 0.00 0.00 4.37 7.99 -0.43 -5.10 117.00 121.88 2kax n LEU 88 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2kax n LEU 88 Cb 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.71 2kax n LEU 88 CO 0.30 0.00 0.00 1.21 -1.51 0.00 0.00 177.39 177.39 2kax n GLU 89 N 0.00 0.00 -3.47 3.23 2.13 -1.25 -5.12 120.64 116.15 2kax n GLU 89 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kax n GLU 89 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kax n ASP 90 N -0.78 0.00 -4.52 4.31 2.03 -1.26 -5.09 116.55 111.25 2kax n ASP 90 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2kax n ASP 90 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 2kax n ASP 90 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kax n ASN 91 N 1.42 1.02 0.00 1.67 3.02 -1.26 -5.14 115.26 115.99 2kax n ASN 91 Ca 0.00 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 2kax n ASN 91 Cb 0.00 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.64 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93