#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 2.82 0.12 2.12 2.56 -1.26 -4.85 118.70 120.21 2kax s GLU 2 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 54.97 55.45 2kax s GLU 2 Cb 0.00 -4.32 -0.03 0.00 2.00 0.00 0.00 34.13 31.78 2kax s GLU 2 CO 0.00 -2.52 0.11 0.95 -0.56 0.00 0.00 175.26 173.24 2kax s THR 3 N 8.17 0.12 0.08 -1.70 -4.23 -1.26 -5.08 115.64 111.74 2kax s THR 3 Ca 0.62 -1.66 0.11 0.00 -1.18 0.00 0.00 61.69 59.57 2kax s THR 3 Cb -0.12 -1.79 -0.07 0.00 1.34 0.00 0.00 72.50 71.86 2kax s THR 3 CO 0.21 -0.56 1.42 1.55 -0.54 0.00 0.00 174.62 176.70 2kax h PRO 4 N 2.83 0.00 0.00 3.99 0.13 -2.01 -3.25 132.00 133.70 2kax h PRO 4 Ca -0.34 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 2kax h PRO 4 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2kax h PRO 4 CO 0.58 0.74 -0.61 1.25 -0.23 0.00 0.00 178.00 179.73 2kax h LEU 5 N 0.00 0.00 -1.33 1.56 5.85 -1.98 -1.97 115.31 117.45 2kax h LEU 5 Ca -0.01 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.92 2kax h LEU 5 Cb 1.47 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.42 2kax h LEU 5 CO 0.10 0.61 0.62 -0.08 -0.34 0.00 0.00 178.44 179.34 2kax h GLU 6 N 0.00 0.52 0.00 1.25 4.57 -1.88 0.56 114.58 119.59 2kax h GLU 6 Ca -0.01 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 2kax h GLU 6 Cb 1.15 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 2kax h GLU 6 CO 0.08 0.34 -0.47 0.87 -1.18 0.00 0.00 179.01 178.65 2kax h LYS 7 N 0.53 0.00 -0.04 1.92 1.79 -1.43 -0.48 116.57 118.85 2kax h LYS 7 Ca 0.52 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.91 2kax h LYS 7 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2kax h LYS 7 CO -0.26 0.47 -0.29 0.00 -1.08 0.00 0.00 179.45 178.29 2kax h ALA 8 N 1.53 0.09 -0.47 3.86 0.00 -0.82 -0.36 119.26 123.09 2kax h ALA 8 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2kax h ALA 8 Cb 1.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2kax h ALA 8 CO 0.06 0.14 0.19 -0.07 0.00 0.00 0.00 179.25 179.57 2kax h LEU 9 N -0.28 0.64 -0.69 0.00 -0.00 -1.12 0.04 115.31 113.91 2kax h LEU 9 Ca -0.02 -0.17 0.14 0.00 -0.00 0.00 0.00 57.88 57.83 2kax h LEU 9 Cb 0.97 -0.17 -0.10 0.00 -0.00 0.00 0.00 40.66 41.37 2kax h LEU 9 CO 0.06 0.63 0.20 0.74 -0.00 0.00 0.00 178.44 180.07 2kax h THR 10 N 0.61 0.60 -0.37 0.22 2.02 -1.14 0.11 112.91 114.96 2kax h THR 10 Ca 0.16 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 2kax h THR 10 Cb 0.19 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2kax h THR 10 CO -0.01 0.06 0.14 0.74 0.37 0.00 0.00 175.52 176.81 2kax h THR 11 N 0.32 1.20 -0.41 3.16 2.02 -0.46 -1.76 112.91 116.98 2kax h THR 11 Ca 0.38 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2kax h THR 11 Cb 0.59 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2kax h THR 11 CO -0.44 0.22 0.13 0.24 0.37 0.00 0.00 175.52 176.05 2kax h MET 12 N 0.46 0.63 -0.02 6.66 2.07 -0.11 -1.29 114.93 123.33 2kax h MET 12 Ca 0.12 -0.13 -0.07 0.00 -2.07 0.00 0.00 59.70 57.55 2kax h MET 12 Cb 0.21 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 2kax h MET 12 CO -0.01 0.62 -0.33 -0.39 1.07 0.00 0.00 176.91 177.88 2kax h VAL 13 N 0.52 1.24 0.57 -2.22 -1.51 -0.78 -0.29 116.25 113.78 2kax h VAL 13 Ca 0.13 -1.14 -0.03 0.00 -1.23 0.00 0.00 66.70 64.43 2kax h VAL 13 Cb 0.25 1.60 0.01 0.00 -2.13 0.00 0.00 31.29 31.01 2kax h VAL 13 CO -0.01 0.33 -0.28 0.74 -1.23 0.00 0.00 177.57 177.13 2kax h THR 14 N 0.03 0.23 -0.24 7.19 2.02 -1.06 -1.36 112.91 119.71 2kax h THR 14 Ca 0.00 -0.39 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 2kax h THR 14 Cb 0.59 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2kax h THR 14 CO 0.04 0.03 -0.31 0.71 0.37 0.00 0.00 175.52 176.37 2kax h THR 15 N -1.08 1.28 0.18 3.16 1.35 -1.19 -2.27 112.91 114.34 2kax h THR 15 Ca -0.08 -1.38 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 2kax h THR 15 Cb 0.65 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2kax h THR 15 CO 0.13 0.44 -0.09 0.15 -0.25 0.00 0.00 175.52 175.90 2kax h PHE 16 N 0.43 -0.23 -0.12 4.73 3.04 -1.14 -3.18 116.94 120.48 2kax h PHE 16 Ca 0.05 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.03 2kax h PHE 16 Cb 0.75 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.33 2kax h PHE 16 CO 0.03 0.09 0.10 1.25 -2.02 0.00 0.00 178.31 177.75 2kax h HIS 17 N -0.56 0.00 0.00 0.41 2.76 -1.14 -0.62 115.15 116.01 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 0.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.38 2kax h HIS 17 CO 0.02 0.00 0.00 1.17 -1.30 0.00 0.00 177.93 177.82 2kax n LYS 18 N -4.24 0.01 -3.62 5.26 0.00 -0.86 -0.94 118.16 113.76 2kax n LYS 18 Ca -0.00 0.34 -0.29 0.00 0.00 0.00 0.00 58.31 58.36 2kax n LYS 18 Cb 0.21 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.62 2kax n LYS 18 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2kax s TYR 19 N -2.97 1.57 0.00 5.64 1.51 -0.24 -4.56 117.35 118.31 2kax s TYR 19 Ca 0.04 -2.18 0.00 0.00 -1.01 0.00 0.00 57.07 53.92 2kax s TYR 19 Cb 0.06 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 2kax s TYR 19 CO 0.15 -0.79 0.00 0.43 -1.11 0.00 0.00 175.55 174.23 2kax n SER 20 N 3.64 0.00 -0.53 2.29 7.64 -1.23 -4.65 113.62 120.77 2kax n SER 20 Ca 0.11 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.01 2kax n SER 20 Cb 0.36 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.00 0.71 0.82 0.23 0.00 -0.12 -1.80 105.19 105.04 2kax n GLY 21 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.04 1.00 0.03 1.61 -4.01 -1.26 -4.83 116.66 109.25 2kax n ARG 22 Ca 0.06 -2.74 0.00 0.00 -1.04 0.00 0.00 57.85 54.13 2kax n ARG 22 Cb 0.28 -1.06 0.00 0.00 -3.04 0.00 0.00 32.46 28.64 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2kax n GLU 23 N -0.60 0.00 0.00 2.89 4.71 -1.12 -5.10 120.64 121.42 2kax n GLU 23 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 2kax n GLU 23 Cb 0.83 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.26 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 1.45 -1.42 3.70 0.62 0.00 -0.74 -5.11 105.19 103.69 2kax n GLY 24 Ca 0.00 0.70 -0.42 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.00 6.49 0.00 1.61 0.15 -1.25 -4.60 113.70 112.09 2kax s SER 25 Ca 0.00 2.69 0.13 0.00 0.70 0.00 0.00 55.95 59.47 2kax s SER 25 Cb 0.00 -2.58 0.80 0.00 -1.71 0.00 0.00 66.02 62.54 2kax s SER 25 CO 0.00 -0.94 1.36 0.29 1.20 0.00 0.00 173.24 175.15 2kax n LYS 26 N 5.06 0.78 0.00 5.44 5.02 -1.26 -3.38 118.16 129.82 2kax n LYS 26 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2kax n LYS 26 Cb 0.38 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2kax n LYS 26 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2kax n LEU 27 N -0.77 0.22 -4.09 -0.35 -0.00 -1.26 -4.64 117.00 106.11 2kax n LEU 27 Ca 0.10 -0.29 -0.07 0.00 -0.00 0.00 0.00 56.01 55.75 2kax n LEU 27 Cb 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.37 2kax n LEU 27 CO 0.08 0.05 -0.34 0.42 -0.00 0.00 0.00 177.39 177.60 2kax s THR 28 N -0.15 0.20 0.29 1.47 -4.23 -1.22 -4.44 115.64 107.57 2kax s THR 28 Ca 0.00 -1.81 -0.14 0.00 -1.18 0.00 0.00 61.69 58.57 2kax s THR 28 Cb 0.00 -1.60 0.01 0.00 1.34 0.00 0.00 72.50 72.26 2kax s THR 28 CO 0.00 -0.90 0.59 -1.48 -0.54 0.00 0.00 174.62 172.29 2kax s LEU 29 N -2.94 0.22 0.33 4.79 2.34 -0.85 -4.41 118.68 118.16 2kax s LEU 29 Ca 0.10 -0.96 -0.14 0.00 0.06 0.00 0.00 54.13 53.18 2kax s LEU 29 Cb 0.08 2.15 -0.09 0.00 -0.56 0.00 0.00 46.19 47.78 2kax s LEU 29 CO -0.08 -1.31 0.73 -0.55 -1.06 0.00 0.00 176.35 174.08 2kax s SER 30 N -3.03 6.73 0.33 1.48 0.15 -1.26 -0.57 113.70 117.54 2kax s SER 30 Ca 0.20 1.24 0.11 0.00 0.70 0.00 0.00 55.95 58.19 2kax s SER 30 Cb -0.03 -2.36 0.91 0.00 -1.71 0.00 0.00 66.02 62.83 2kax s SER 30 CO 0.11 -0.22 1.75 0.03 1.20 0.00 0.00 173.24 176.10 2kax h ARG 31 N 2.15 0.56 -0.09 5.44 2.47 -0.95 -1.27 114.38 122.69 2kax h ARG 31 Ca -0.48 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.25 2kax h ARG 31 Cb 1.18 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 29.31 2kax h ARG 31 CO 0.65 0.37 -0.37 0.87 0.56 0.00 0.00 179.97 182.05 2kax h LYS 32 N 0.57 -0.46 -0.68 0.04 1.57 -1.82 -3.09 116.57 112.71 2kax h LYS 32 Ca 0.62 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.38 2kax h LYS 32 Cb 1.22 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 2kax h LYS 32 CO -0.42 -0.30 0.22 0.93 -0.57 0.00 0.00 179.45 179.31 2kax h GLU 33 N -0.47 1.05 -0.56 3.15 4.39 -1.57 -2.07 114.58 118.50 2kax h GLU 33 Ca 0.08 -0.21 0.09 0.00 0.34 0.00 0.00 59.36 59.65 2kax h GLU 33 Cb 0.60 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 29.02 2kax h GLU 33 CO -0.35 0.89 0.17 1.25 -1.16 0.00 0.00 179.01 179.81 2kax h LEU 34 N 1.01 0.13 -0.98 1.33 5.85 -1.49 0.55 115.31 121.71 2kax h LEU 34 Ca 0.22 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.06 2kax h LEU 34 Cb 0.28 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 2kax h LEU 34 CO -0.01 0.09 0.64 0.50 -0.34 0.00 0.00 178.44 179.32 2kax h LYS 35 N 0.33 1.22 0.18 1.25 3.64 -1.30 -3.26 116.57 118.63 2kax h LYS 35 Ca 0.28 -0.07 -0.30 0.00 -1.27 0.00 0.00 60.65 59.29 2kax h LYS 35 Cb 0.36 -0.28 0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2kax h LYS 35 CO -0.31 0.81 -1.34 1.49 -2.27 0.00 0.00 179.45 177.83 2kax h GLU 36 N 1.26 0.37 -0.99 1.90 4.57 -0.79 -3.11 114.58 117.79 2kax h GLU 36 Ca 0.39 -0.64 0.17 0.00 -1.18 0.00 0.00 59.36 58.10 2kax h GLU 36 Cb -0.02 0.24 -0.10 0.00 -0.16 0.00 0.00 28.75 28.70 2kax h GLU 36 CO -0.12 1.30 0.60 1.25 -1.18 0.00 0.00 179.01 180.87 2kax h LEU 37 N 0.10 0.80 -0.98 1.64 6.46 -1.01 0.17 115.31 122.48 2kax h LEU 37 Ca -0.18 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2kax h LEU 37 Cb 2.05 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.92 2kax h LEU 37 CO 0.23 0.33 0.00 0.40 -0.62 0.00 0.00 178.44 178.78 2kax h ILE 38 N 0.81 0.00 0.00 4.05 2.04 -1.58 0.12 117.51 122.95 2kax h ILE 38 Ca 0.55 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2kax h ILE 38 Cb 0.77 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2kax h ILE 38 CO -0.35 0.00 -0.87 0.29 0.00 0.00 0.00 178.15 177.22 2kax n LYS 39 N -2.62 0.08 -0.07 2.37 4.01 0.35 -2.78 118.16 119.49 2kax n LYS 39 Ca 0.02 -0.01 -0.07 0.00 -0.51 0.00 0.00 58.31 57.74 2kax n LYS 39 Cb 0.28 -1.52 -0.02 0.00 -0.51 0.00 0.00 35.03 33.25 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 -1.63 0.42 0.00 1.97 4.76 0.12 -4.74 118.16 119.07 2kax n LYS 40 Ca 0.04 0.24 0.02 0.00 -2.87 0.00 0.00 58.31 55.74 2kax n LYS 40 Cb 0.36 -1.32 0.01 0.00 -1.84 0.00 0.00 35.03 32.24 2kax n LYS 40 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2kax n GLU 41 N -4.12 0.98 -4.28 1.97 1.02 0.31 -4.82 120.64 111.70 2kax n GLU 41 Ca -0.10 -0.59 -0.28 0.00 -0.02 0.00 0.00 57.16 56.17 2kax n GLU 41 Cb 0.38 -0.99 -0.05 0.00 -0.02 0.00 0.00 31.44 30.75 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kax s LEU 42 N -0.77 2.68 -0.09 -4.62 0.20 -0.92 -4.99 118.68 110.16 2kax s LEU 42 Ca 0.04 -1.35 -0.07 0.00 0.69 0.00 0.00 54.13 53.45 2kax s LEU 42 Cb 0.03 -1.08 0.03 0.00 -0.43 0.00 0.00 46.19 44.74 2kax s LEU 42 CO 0.08 -0.84 0.23 0.00 -0.29 0.00 0.00 176.35 175.53 2kax n LEU 44 N 3.47 0.00 -0.71 0.00 4.77 -1.25 -4.92 117.00 118.36 2kax n LEU 44 Ca -0.18 -0.05 0.04 0.00 -0.03 0.00 0.00 56.01 55.79 2kax n LEU 44 Cb 0.56 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.78 2kax n LEU 44 CO 0.17 0.11 0.55 0.61 -1.33 0.00 0.00 177.39 177.50 2kax n GLY 45 N 0.00 1.01 0.00 -0.72 0.00 -1.26 -3.34 105.19 100.88 2kax n GLY 45 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.25 1.09 0.03 1.61 -0.00 -1.26 -4.85 120.64 117.51 2kax n GLU 46 Ca 0.09 0.00 -0.22 0.00 -0.00 0.00 0.00 57.16 57.04 2kax n GLU 46 Cb 0.38 -0.79 -0.14 0.00 -0.00 0.00 0.00 31.44 30.89 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 0.28 -6.78 3.44 2.86 -1.94 -3.48 114.93 109.32 2kax h MET 47 Ca 0.00 -0.49 -0.69 0.00 -2.06 0.00 0.00 59.70 56.47 2kax h MET 47 Cb 0.58 0.18 -0.22 0.00 0.06 0.00 0.00 31.60 32.21 2kax h MET 47 CO 0.00 1.23 -0.84 0.15 1.06 0.00 0.00 176.91 178.51 2kax s LYS 48 N -2.49 1.68 0.02 1.72 3.01 -1.21 -5.06 119.74 117.40 2kax s LYS 48 Ca -0.18 -1.21 0.00 0.00 -1.01 0.00 0.00 55.97 53.57 2kax s LYS 48 Cb 0.04 -2.01 0.00 0.00 -1.01 0.00 0.00 37.83 34.85 2kax s LYS 48 CO 0.79 0.48 0.00 -0.85 0.51 0.00 0.00 175.35 176.29 2kax n GLU 49 N 1.14 0.00 -3.87 1.68 -0.00 -1.26 -4.59 120.64 113.73 2kax n GLU 49 Ca -0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 57.16 56.74 2kax n GLU 49 Cb 0.53 -0.48 -0.03 0.00 -0.00 0.00 0.00 31.44 31.46 2kax n GLU 49 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2kax s SER 50 N -5.17 6.34 0.00 -1.84 1.04 -1.26 -2.97 113.70 109.83 2kax s SER 50 Ca 0.00 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2kax s SER 50 Cb 0.00 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2kax s SER 50 CO 0.00 -0.02 0.00 -0.24 0.98 0.00 0.00 173.24 173.96 2kax n SER 51 N -0.89 0.00 0.20 7.02 2.88 -1.26 -4.43 113.62 117.13 2kax n SER 51 Ca -0.07 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.51 2kax n SER 51 Cb 0.55 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.41 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2kax h ILE 52 N 0.00 1.10 0.14 2.46 -0.00 -1.95 -2.35 117.51 116.91 2kax h ILE 52 Ca 0.00 -1.25 0.02 0.00 -0.00 0.00 0.00 64.86 63.63 2kax h ILE 52 Cb 0.00 1.70 -0.03 0.00 -0.00 0.00 0.00 36.82 38.49 2kax h ILE 52 CO 0.00 0.34 -0.27 -0.78 -0.00 0.00 0.00 178.15 177.44 2kax h ASP 53 N 0.00 -0.76 0.26 2.16 3.58 -1.75 -1.78 116.42 118.14 2kax h ASP 53 Ca -0.00 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2kax h ASP 53 Cb 0.67 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 2kax h ASP 53 CO 0.05 -0.37 -0.19 -0.78 -2.88 0.00 0.00 179.24 175.07 2kax h ASP 54 N -0.50 0.00 0.33 2.28 1.82 -1.76 0.20 116.42 118.79 2kax h ASP 54 Ca 0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 2kax h ASP 54 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2kax h ASP 54 CO -0.14 0.19 -0.16 -0.07 -1.61 0.00 0.00 179.24 177.45 2kax h LEU 55 N 0.00 -0.37 -2.07 2.28 3.38 -1.46 0.30 115.31 117.37 2kax h LEU 55 Ca -0.00 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.93 2kax h LEU 55 Cb 0.37 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2kax h LEU 55 CO 0.02 -0.04 0.32 0.24 0.09 0.00 0.00 178.44 179.08 2kax h MET 56 N -0.74 0.00 0.00 1.13 2.86 -0.31 -2.39 114.93 115.48 2kax h MET 56 Ca -0.04 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 2kax h MET 56 Cb 0.50 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2kax h MET 56 CO 0.07 0.00 -2.09 1.17 1.06 0.00 0.00 176.91 177.13 2kax n LYS 57 N -4.05 0.68 0.11 1.72 0.00 0.59 -4.19 118.16 113.02 2kax n LYS 57 Ca 0.06 -0.14 -0.20 0.00 0.00 0.00 0.00 58.31 58.03 2kax n LYS 57 Cb 0.49 -1.51 -0.15 0.00 0.00 0.00 0.00 35.03 33.87 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 0.59 -0.71 3.14 0.87 -0.14 -3.34 113.55 113.96 2kax h SER 58 Ca -0.15 -0.66 0.07 0.00 -1.23 0.00 0.00 61.79 59.82 2kax h SER 58 Cb 1.33 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 2kax h SER 58 CO 0.01 1.52 0.40 -0.07 -0.53 0.00 0.00 176.83 178.16 2kax h LEU 59 N 0.10 0.59 0.00 2.23 3.38 -1.63 -1.65 115.31 118.32 2kax h LEU 59 Ca -0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2kax h LEU 59 Cb 2.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2kax h LEU 59 CO 0.23 0.37 0.00 -0.67 0.09 0.00 0.00 178.44 178.46 2kax n ASP 60 N -4.77 0.00 0.09 -0.43 -0.08 -1.25 -1.74 116.55 108.36 2kax n ASP 60 Ca 0.10 -1.01 -0.19 0.00 -1.51 0.00 0.00 54.79 52.18 2kax n ASP 60 Cb 0.19 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.51 2kax n ASP 60 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2kax h LYS 61 N 0.00 0.34 0.08 -0.67 1.79 -1.42 -3.38 116.57 113.31 2kax h LYS 61 Ca 0.00 -0.57 -0.28 0.00 -2.18 0.00 0.00 60.65 57.62 2kax h LYS 61 Cb 0.00 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 2kax h LYS 61 CO 0.00 1.23 -1.47 -0.91 -1.08 0.00 0.00 179.45 177.22 2kax h ASN 62 N 0.09 0.25 0.00 0.86 4.21 -1.73 -3.48 115.58 115.78 2kax h ASN 62 Ca -0.25 -0.77 0.00 0.00 1.21 0.00 0.00 56.30 56.49 2kax h ASN 62 Cb 2.05 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 39.17 2kax h ASN 62 CO 0.19 1.62 0.00 -0.24 -1.29 0.00 0.00 177.43 177.71 2kax n SER 63 N -4.00 0.00 -2.67 5.81 2.88 -0.71 -4.18 113.62 110.74 2kax n SER 63 Ca -0.29 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 56.89 2kax n SER 63 Cb 0.85 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.36 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 0.36 7.18 -3.83 -3.46 8.00 -1.26 -2.34 116.55 121.21 2kax n ASP 64 Ca 0.00 -3.81 -0.10 0.00 0.71 0.00 0.00 54.79 51.59 2kax n ASP 64 Cb 0.00 -0.95 -0.08 0.00 -0.02 0.00 0.00 41.12 40.07 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 -3.94 0.79 0.21 -1.24 -1.52 -1.26 -5.01 119.66 107.69 2kax s GLN 65 Ca 0.55 -0.75 -0.20 0.00 -1.95 0.00 0.00 55.36 53.01 2kax s GLN 65 Cb 0.45 0.33 -0.08 0.00 -0.22 0.00 0.00 33.01 33.49 2kax s GLN 65 CO -0.26 -0.24 0.72 -1.21 -0.25 0.00 0.00 175.29 174.05 2kax s GLU 66 N -3.14 4.30 0.25 2.91 2.02 -1.26 -1.78 118.70 121.99 2kax s GLU 66 Ca -0.01 0.91 0.09 0.00 0.02 0.00 0.00 54.97 55.98 2kax s GLU 66 Cb 0.01 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 2kax s GLU 66 CO -0.07 0.43 -0.14 0.96 0.02 0.00 0.00 175.26 176.47 2kax s ILE 67 N -1.45 1.94 0.40 -1.63 -5.25 0.27 -4.86 121.20 110.63 2kax s ILE 67 Ca 0.41 -2.24 0.00 0.00 -0.99 0.00 0.00 60.65 57.83 2kax s ILE 67 Cb -0.18 -2.23 0.00 0.00 2.95 0.00 0.00 42.46 43.00 2kax s ILE 67 CO 0.22 -0.46 0.02 -0.90 -1.79 0.00 0.00 174.94 172.03 2kax n ASP 68 N -0.51 3.07 0.24 4.36 5.75 -1.26 -2.01 116.55 126.18 2kax n ASP 68 Ca -0.06 -2.74 0.13 0.00 -0.01 0.00 0.00 54.79 52.10 2kax n ASP 68 Cb 0.61 0.26 0.76 0.00 -1.03 0.00 0.00 41.12 41.73 2kax n ASP 68 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2kax h PHE 69 N 1.17 0.00 -0.00 2.11 3.04 -1.99 -1.03 116.94 120.24 2kax h PHE 69 Ca -0.33 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.60 2kax h PHE 69 Cb 1.01 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.52 2kax h PHE 69 CO 0.00 0.00 -0.06 -0.22 -2.02 0.00 0.00 178.31 176.01 2kax h LYS 70 N 0.00 0.04 -0.98 1.11 3.64 -1.98 -0.56 116.57 117.85 2kax h LYS 70 Ca 0.04 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2kax h LYS 70 Cb 0.18 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 2kax h LYS 70 CO -0.00 0.81 0.63 0.93 -2.27 0.00 0.00 179.45 179.55 2kax h GLU 71 N -0.71 1.13 0.08 1.90 4.39 -1.93 0.89 114.58 120.34 2kax h GLU 71 Ca -0.01 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2kax h GLU 71 Cb 0.83 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2kax h GLU 71 CO 0.01 0.75 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.65 2kax h TYR 72 N 1.16 -0.10 -0.47 4.33 3.20 -1.20 -2.08 116.97 121.81 2kax h TYR 72 Ca 0.41 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.22 2kax h TYR 72 Cb 0.12 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2kax h TYR 72 CO -0.01 0.11 0.05 0.66 -1.64 0.00 0.00 178.16 177.33 2kax h SER 73 N -0.30 0.77 0.29 -2.11 4.64 -0.78 -1.27 113.55 114.80 2kax h SER 73 Ca -0.01 -0.28 -0.08 0.00 -0.47 0.00 0.00 61.79 60.95 2kax h SER 73 Cb 0.26 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2kax h SER 73 CO 0.02 0.86 -0.34 -0.37 -0.87 0.00 0.00 176.83 176.13 2kax h VAL 74 N 0.66 1.26 0.02 0.95 -1.51 -0.86 -0.23 116.25 116.54 2kax h VAL 74 Ca 0.14 -1.24 -0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2kax h VAL 74 Cb 0.44 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2kax h VAL 74 CO 0.02 0.36 -0.01 0.15 -1.23 0.00 0.00 177.57 176.86 2kax h PHE 75 N 0.07 -0.03 -0.53 5.19 3.04 -1.24 -0.45 116.94 122.99 2kax h PHE 75 Ca 0.01 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.04 2kax h PHE 75 Cb 0.64 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.09 2kax h PHE 75 CO 0.00 0.60 0.15 -0.07 -2.02 0.00 0.00 178.31 176.96 2kax h LEU 76 N -0.68 0.09 0.15 0.59 3.38 -1.17 -0.18 115.31 117.49 2kax h LEU 76 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2kax h LEU 76 Cb 0.63 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2kax h LEU 76 CO 0.00 0.07 -0.07 0.74 0.09 0.00 0.00 178.44 179.27 2kax h THR 77 N 0.30 0.93 -0.87 0.22 2.02 -1.10 0.07 112.91 114.47 2kax h THR 77 Ca 0.26 -0.36 0.14 0.00 0.77 0.00 0.00 66.41 67.22 2kax h THR 77 Cb 0.34 1.16 -0.09 0.00 -1.74 0.00 0.00 68.15 67.82 2kax h THR 77 CO -0.31 0.09 0.48 -0.03 0.37 0.00 0.00 175.52 176.11 2kax h MET 78 N -0.38 0.69 -0.02 6.66 1.85 -0.77 -1.70 114.93 121.26 2kax h MET 78 Ca -0.02 -0.04 -0.19 0.00 -0.61 0.00 0.00 59.70 58.84 2kax h MET 78 Cb 0.30 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 2kax h MET 78 CO 0.03 0.45 -0.82 1.25 -0.40 0.00 0.00 176.91 177.43 2kax h LEU 79 N 0.71 0.30 -0.45 3.39 5.85 -0.94 -3.19 115.31 120.97 2kax h LEU 79 Ca 0.46 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 2kax h LEU 79 Cb 0.60 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2kax h LEU 79 CO -0.33 0.99 0.14 0.00 -0.34 0.00 0.00 178.44 178.90 2kax h MET 81 N 0.59 0.00 0.00 0.00 2.86 -1.48 -1.17 114.93 115.74 2kax h MET 81 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2kax h MET 81 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2kax h MET 81 CO -0.00 0.05 0.00 0.00 1.06 0.00 0.00 176.91 178.02 2kax n ALA 82 N -2.22 2.20 -1.29 6.32 0.00 -0.99 -3.83 120.51 120.69 2kax n ALA 82 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kax n ALA 82 Cb 0.17 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.84 0.00 0.79 0.00 0.18 -1.16 -4.92 117.16 111.22 2kax n TYR 83 Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 2kax n TYR 83 Cb 0.05 0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.03 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 1.41 0.00 9.48 4.13 -0.45 -3.82 115.26 126.01 2kax n ASN 84 Ca 0.00 -1.59 0.11 0.00 1.68 0.00 0.00 54.58 54.78 2kax n ASN 84 Cb 0.12 -0.40 0.51 0.00 -1.54 0.00 0.00 39.78 38.47 2kax n ASN 84 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2kax n ASP 85 N 0.30 0.00 0.28 6.41 5.75 -1.26 -1.38 116.55 126.64 2kax n ASP 85 Ca 0.00 0.34 0.15 0.00 -0.01 0.00 0.00 54.79 55.27 2kax n ASP 85 Cb 0.28 -0.44 0.79 0.00 -1.03 0.00 0.00 41.12 40.72 2kax n ASP 85 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2kax h PHE 86 N 0.00 0.00 -0.03 2.11 -1.00 -1.94 -0.38 116.94 115.71 2kax h PHE 86 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2kax h PHE 86 Cb 0.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2kax h PHE 86 CO 0.00 0.00 -0.02 1.19 -1.61 0.00 0.00 178.31 177.87 2kax n PHE 87 N -2.68 0.00 0.00 -0.55 3.72 -0.48 -4.71 117.46 112.76 2kax n PHE 87 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2kax n PHE 87 Cb 0.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 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 1.20 1.36 0.00 4.37 7.99 -0.15 -5.05 117.00 126.72 2kax n LEU 88 Ca 0.13 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.41 2kax n LEU 88 Cb 0.55 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 2kax n LEU 88 CO 0.15 -0.26 0.00 -0.62 -1.51 0.00 0.00 177.39 175.14 2kax n GLU 89 N -1.29 0.00 0.00 3.23 1.02 -1.22 -5.00 120.64 117.38 2kax n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kax n GLU 89 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kax n ASP 90 N 0.00 0.00 -4.52 1.62 2.03 -1.26 -4.97 116.55 109.45 2kax n ASP 90 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2kax n ASP 90 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 -0.57 1.53 -0.24 1.67 5.03 -1.26 -4.96 115.26 116.47 2kax n ASN 91 Ca 0.00 -0.15 0.15 0.00 0.87 0.00 0.00 54.58 55.45 2kax n ASN 91 Cb 0.00 -1.30 0.74 0.00 -1.02 0.00 0.00 39.78 38.20 2kax n ASN 91 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72