#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 3.88 -2.05 0.03 4.71 -1.26 -4.93 120.64 121.01 2kax n GLU 2 Ca 0.00 -4.39 -0.29 0.00 -0.01 0.00 0.00 57.16 52.46 2kax n GLU 2 Cb 0.00 -2.60 0.03 0.00 -1.01 0.00 0.00 31.44 27.87 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2kax s THR 3 N -1.52 3.85 0.02 2.62 -4.23 -1.26 -4.96 115.64 110.16 2kax s THR 3 Ca 0.32 0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 61.01 2kax s THR 3 Cb -0.03 -3.57 -0.18 0.00 1.34 0.00 0.00 72.50 70.06 2kax s THR 3 CO -0.00 -0.70 1.43 1.55 -0.54 0.00 0.00 174.62 176.35 2kax h PRO 4 N -0.42 -0.06 -0.50 3.99 0.13 -1.99 -1.94 132.00 131.21 2kax h PRO 4 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2kax h PRO 4 Cb 1.24 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2kax h PRO 4 CO 0.63 0.24 0.15 1.25 -0.23 0.00 0.00 178.00 180.03 2kax h LEU 5 N -0.36 0.73 -0.56 1.56 5.85 -2.00 -1.73 115.31 118.80 2kax h LEU 5 Ca -0.01 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.56 2kax h LEU 5 Cb 0.33 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2kax h LEU 5 CO 0.01 0.75 0.27 -0.08 -0.34 0.00 0.00 178.44 179.05 2kax h GLU 6 N 0.68 0.50 -0.13 1.25 4.57 -1.93 -1.51 114.58 118.01 2kax h GLU 6 Ca 0.16 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 2kax h GLU 6 Cb 0.29 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2kax h GLU 6 CO -0.00 0.33 -0.06 -0.22 -1.18 0.00 0.00 179.01 177.87 2kax h LYS 7 N 0.51 0.19 -0.31 1.92 3.11 -0.90 -2.12 116.57 118.98 2kax h LYS 7 Ca 0.26 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.05 2kax h LYS 7 Cb 0.20 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 2kax h LYS 7 CO -0.20 0.27 0.12 0.00 -2.81 0.00 0.00 179.45 176.83 2kax h ALA 8 N 1.76 0.40 -0.92 5.00 0.00 -0.38 -0.87 119.26 124.24 2kax h ALA 8 Ca 0.04 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2kax h ALA 8 Cb 0.24 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2kax h ALA 8 CO 0.01 -0.00 0.60 -0.07 0.00 0.00 0.00 179.25 179.79 2kax h LEU 9 N 0.35 0.99 -0.60 0.00 -0.00 -1.34 -2.30 115.31 112.41 2kax h LEU 9 Ca 0.10 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 58.03 2kax h LEU 9 Cb 0.19 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 40.57 2kax h LEU 9 CO -0.01 0.68 0.32 0.74 -0.00 0.00 0.00 178.44 180.17 2kax h THR 10 N 1.16 0.95 -0.56 0.22 2.02 -0.68 -0.73 112.91 115.29 2kax h THR 10 Ca 0.36 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 67.36 2kax h THR 10 Cb -0.00 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 2kax h THR 10 CO -0.12 0.11 0.35 0.71 0.37 0.00 0.00 175.52 176.94 2kax h THR 11 N 0.60 1.08 -0.64 3.16 1.35 -0.83 -0.66 112.91 116.96 2kax h THR 11 Ca 0.27 -0.24 -0.07 0.00 -0.55 0.00 0.00 66.41 65.82 2kax h THR 11 Cb 0.17 0.33 -0.03 0.00 -1.73 0.00 0.00 68.15 66.89 2kax h THR 11 CO -0.18 0.13 0.13 0.24 -0.25 0.00 0.00 175.52 175.59 2kax h MET 12 N 0.69 1.05 -0.02 4.72 2.07 -0.72 -2.60 114.93 120.12 2kax h MET 12 Ca 0.22 -0.27 -0.16 0.00 -2.07 0.00 0.00 59.70 57.43 2kax h MET 12 Cb 0.00 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.59 2kax h MET 12 CO -0.09 0.96 -0.70 -0.39 1.07 0.00 0.00 176.91 177.76 2kax h VAL 13 N 0.96 1.46 -0.16 -2.22 -1.51 -1.09 -2.83 116.25 110.85 2kax h VAL 13 Ca 0.20 -2.30 -0.10 0.00 -1.23 0.00 0.00 66.70 63.27 2kax h VAL 13 Cb 0.40 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.78 2kax h VAL 13 CO 0.01 0.67 -0.32 0.74 -1.23 0.00 0.00 177.57 177.43 2kax h THR 14 N 0.08 1.28 0.01 7.19 2.02 -0.75 -1.08 112.91 121.65 2kax h THR 14 Ca -0.01 -1.33 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 2kax h THR 14 Cb 1.25 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2kax h THR 14 CO 0.10 0.41 -0.00 0.71 0.37 0.00 0.00 175.52 177.11 2kax h THR 15 N 0.29 0.00 -0.80 3.16 1.35 -1.57 -3.38 112.91 111.96 2kax h THR 15 Ca 0.04 -0.63 0.19 0.00 -0.55 0.00 0.00 66.41 65.46 2kax h THR 15 Cb 0.71 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.99 2kax h THR 15 CO 0.05 0.00 0.05 0.15 -0.25 0.00 0.00 175.52 175.52 2kax h PHE 16 N -0.64 0.03 0.00 4.73 3.04 -1.54 -0.57 116.94 121.99 2kax h PHE 16 Ca -0.00 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2kax h PHE 16 Cb 0.01 0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2kax h PHE 16 CO 0.00 -0.25 0.00 1.58 -2.02 0.00 0.00 178.31 177.63 2kax n HIS 17 N -5.33 0.53 0.50 0.41 -0.00 -0.41 -0.72 115.22 110.19 2kax n HIS 17 Ca 0.16 0.21 0.09 0.00 0.46 0.00 0.00 57.72 58.64 2kax n HIS 17 Cb 0.53 -0.84 0.37 0.00 -0.12 0.00 0.00 29.99 29.93 2kax n HIS 17 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2kax n LYS 18 N -1.98 0.05 -0.04 1.57 5.02 -0.22 -1.14 118.16 121.41 2kax n LYS 18 Ca 0.02 0.28 -0.07 0.00 -2.02 0.00 0.00 58.31 56.53 2kax n LYS 18 Cb 0.19 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 2kax n LYS 18 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2kax n TYR 19 N -1.70 0.00 -0.02 2.13 4.02 0.10 -4.70 117.16 116.99 2kax n TYR 19 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.80 2kax n TYR 19 Cb 0.20 -0.34 -0.07 0.00 -0.02 0.00 0.00 39.34 39.11 2kax n TYR 19 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2kax h SER 20 N -0.07 0.13 0.00 7.72 0.02 -1.08 -3.29 113.55 116.98 2kax h SER 20 Ca -0.21 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2kax h SER 20 Cb 1.29 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2kax h SER 20 CO -0.06 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 2kax n GLY 21 N -0.40 -0.51 0.09 -3.77 0.00 -0.29 -1.87 105.19 98.42 2kax n GLY 21 Ca -0.06 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2kax n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kax n ARG 22 N -0.56 0.14 -2.97 1.61 1.74 -1.24 -4.86 116.66 110.53 2kax n ARG 22 Ca 0.01 0.34 -0.08 0.00 -0.77 0.00 0.00 57.85 57.35 2kax n ARG 22 Cb 0.01 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 29.68 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kax n GLU 23 N -2.01 0.41 0.00 5.56 -0.58 -0.78 -5.07 120.64 118.17 2kax n GLU 23 Ca 0.03 -1.63 0.11 0.00 -0.42 0.00 0.00 57.16 55.25 2kax n GLU 23 Cb 0.23 1.57 0.48 0.00 -0.57 0.00 0.00 31.44 33.16 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kax n GLY 24 N -0.34 -1.28 2.50 0.62 0.00 -1.26 -4.48 105.19 100.96 2kax n GLY 24 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2kax n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kax n SER 25 N -1.51 6.91 0.00 1.61 3.41 -1.26 -4.82 113.62 117.96 2kax n SER 25 Ca 0.05 -2.77 0.05 0.00 -0.26 0.00 0.00 58.87 55.95 2kax n SER 25 Cb 0.27 -1.56 0.31 0.00 -0.26 0.00 0.00 64.21 62.97 2kax n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kax n LYS 26 N 4.12 0.64 0.00 4.33 5.02 -1.26 -0.90 118.16 130.11 2kax n LYS 26 Ca 0.65 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 2kax n LYS 26 Cb 0.29 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -0.76 1.30 0.00 -0.35 4.77 -1.26 -4.83 117.00 115.87 2kax n LEU 27 Ca 0.08 -1.30 -0.20 0.00 -0.03 0.00 0.00 56.01 54.56 2kax n LEU 27 Cb 0.04 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2kax n LEU 27 CO 0.06 0.32 0.00 0.35 -1.33 0.00 0.00 177.39 176.80 2kax n THR 28 N -0.23 0.00 -3.61 -5.08 -2.24 -0.07 -3.44 114.28 99.61 2kax n THR 28 Ca 0.00 -1.60 -0.04 0.00 -2.27 0.00 0.00 64.05 60.14 2kax n THR 28 Cb 0.18 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 2kax n THR 28 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kax s LEU 29 N 0.00 -0.18 0.60 3.22 2.34 -1.15 -4.07 118.68 119.43 2kax s LEU 29 Ca 0.18 -0.10 -0.16 0.00 0.06 0.00 0.00 54.13 54.10 2kax s LEU 29 Cb -0.01 1.67 -0.03 0.00 -0.56 0.00 0.00 46.19 47.26 2kax s LEU 29 CO 0.11 -0.46 1.07 -0.94 -1.06 0.00 0.00 176.35 175.08 2kax s SER 30 N -2.58 5.67 0.34 1.48 1.04 -1.26 -0.38 113.70 118.01 2kax s SER 30 Ca 0.10 1.89 0.05 0.00 0.48 0.00 0.00 55.95 58.47 2kax s SER 30 Cb 0.00 -2.54 0.63 0.00 0.10 0.00 0.00 66.02 64.21 2kax s SER 30 CO -0.04 -1.25 1.88 0.03 0.98 0.00 0.00 173.24 174.84 2kax h ARG 31 N 0.48 0.47 -0.99 4.02 3.08 -0.62 0.75 114.38 121.57 2kax h ARG 31 Ca -0.47 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 59.53 2kax h ARG 31 Cb 1.23 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 2kax h ARG 31 CO 0.57 0.52 0.64 -0.22 -1.07 0.00 0.00 179.97 180.41 2kax h LYS 32 N 0.45 1.15 -0.01 0.04 1.63 -1.55 -2.52 116.57 115.76 2kax h LYS 32 Ca 0.10 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 2kax h LYS 32 Cb 0.35 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2kax h LYS 32 CO 0.01 0.76 -0.20 1.49 -3.45 0.00 0.00 179.45 178.06 2kax h GLU 33 N 1.19 0.16 -0.64 1.90 4.57 -1.34 -3.27 114.58 117.14 2kax h GLU 33 Ca 0.42 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 58.50 2kax h GLU 33 Cb 0.11 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 2kax h GLU 33 CO -0.16 0.87 0.35 1.25 -1.18 0.00 0.00 179.01 180.15 2kax h LEU 34 N -0.50 0.53 -1.94 1.64 5.85 -0.92 0.83 115.31 120.80 2kax h LEU 34 Ca -0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2kax h LEU 34 Cb 0.94 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2kax h LEU 34 CO 0.04 0.35 0.00 0.07 -0.34 0.00 0.00 178.44 178.56 2kax h LYS 35 N 0.66 0.00 0.12 1.25 5.09 -1.57 -2.12 116.57 120.00 2kax h LYS 35 Ca 0.28 0.00 -0.36 0.00 0.09 0.00 0.00 60.65 60.66 2kax h LYS 35 Cb 0.17 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.48 2kax h LYS 35 CO -0.17 0.00 -1.97 -1.91 -2.09 0.00 0.00 179.45 173.31 2kax n GLU 36 N -2.71 0.75 -0.08 0.07 4.07 0.07 -4.41 120.64 118.40 2kax n GLU 36 Ca -0.01 0.28 -0.08 0.00 -0.06 0.00 0.00 57.16 57.28 2kax n GLU 36 Cb 0.12 -1.71 -0.02 0.00 -0.06 0.00 0.00 31.44 29.77 2kax n GLU 36 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2kax h LEU 37 N 0.02 -1.03 -0.34 4.31 5.85 -0.30 -2.99 115.31 120.83 2kax h LEU 37 Ca -0.42 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.51 2kax h LEU 37 Cb 2.00 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 43.47 2kax h LEU 37 CO 0.07 -0.32 0.13 0.40 -0.34 0.00 0.00 178.44 178.38 2kax h ILE 38 N -0.28 0.93 0.00 4.05 2.04 -1.68 -0.80 117.51 121.76 2kax h ILE 38 Ca 0.15 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2kax h ILE 38 Cb 0.53 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2kax h ILE 38 CO -0.48 0.05 0.00 0.29 0.00 0.00 0.00 178.15 178.01 2kax n LYS 39 N -5.00 0.17 -0.06 2.37 4.76 -1.17 -1.74 118.16 117.48 2kax n LYS 39 Ca 0.01 0.16 -0.12 0.00 -2.87 0.00 0.00 58.31 55.49 2kax n LYS 39 Cb 0.11 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.65 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 -1.33 0.67 0.14 1.97 4.01 -0.45 -4.62 118.16 118.54 2kax n LYS 40 Ca 0.06 0.16 -0.01 0.00 -0.51 0.00 0.00 58.31 58.01 2kax n LYS 40 Cb 0.14 -1.64 0.18 0.00 -0.51 0.00 0.00 35.03 33.20 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 0.01 0.00 -3.62 1.97 5.08 -0.34 -3.47 114.58 114.21 2kax h GLU 41 Ca -0.44 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.69 2kax h GLU 41 Cb 2.09 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 31.06 2kax h GLU 41 CO 0.04 0.60 -0.67 -1.17 -1.00 0.00 0.00 179.01 176.81 2kax s LEU 42 N -7.65 1.78 -1.10 1.33 0.20 -1.00 -5.08 118.68 107.17 2kax s LEU 42 Ca -0.01 0.08 -0.11 0.00 0.69 0.00 0.00 54.13 54.78 2kax s LEU 42 Cb 0.13 0.13 -0.07 0.00 -0.43 0.00 0.00 46.19 45.95 2kax s LEU 42 CO 0.76 -0.02 2.27 0.00 -0.29 0.00 0.00 176.35 179.06 2kax s LEU 44 N 0.59 5.77 0.00 0.00 1.02 -1.26 -4.85 118.68 119.94 2kax s LEU 44 Ca 0.50 -2.50 0.00 0.00 0.02 0.00 0.00 54.13 52.15 2kax s LEU 44 Cb 0.13 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.35 2kax s LEU 44 CO -0.01 -0.52 0.00 0.61 0.02 0.00 0.00 176.35 176.44 2kax n GLY 45 N 4.07 0.13 2.34 -3.19 0.00 -1.26 -4.87 105.19 102.41 2kax n GLY 45 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.83 0.80 -0.02 1.61 0.00 -1.26 -4.68 120.64 116.26 2kax n GLU 46 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 57.16 56.73 2kax n GLU 46 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 29.71 2kax n GLU 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 2kax n MET 47 N 2.93 0.00 -2.05 3.44 1.56 -1.26 -5.11 117.12 116.63 2kax n MET 47 Ca 0.17 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.18 2kax n MET 47 Cb 0.33 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.67 2kax n MET 47 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2kax s LYS 48 N 0.95 3.23 0.08 2.12 3.01 -1.26 -4.68 119.74 123.19 2kax s LYS 48 Ca 0.00 1.22 0.00 0.00 -1.01 0.00 0.00 55.97 56.18 2kax s LYS 48 Cb 0.00 -4.21 0.00 0.00 -1.01 0.00 0.00 37.83 32.61 2kax s LYS 48 CO 0.00 -1.98 0.00 0.39 0.51 0.00 0.00 175.35 174.27 2kax n GLU 49 N 8.52 0.00 -1.68 1.68 1.02 -1.26 -4.93 120.64 123.98 2kax n GLU 49 Ca 0.22 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.91 2kax n GLU 49 Cb 0.48 -0.27 -0.03 0.00 -0.02 0.00 0.00 31.44 31.60 2kax n GLU 49 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2kax n SER 50 N -3.07 3.03 0.00 1.62 7.64 -1.26 -1.02 113.62 120.55 2kax n SER 50 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2kax n SER 50 Cb 0.16 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 2kax n SER 50 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2kax n SER 51 N 2.52 0.00 0.20 6.43 3.41 -1.26 -4.48 113.62 120.44 2kax n SER 51 Ca 0.13 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.88 2kax n SER 51 Cb 0.32 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.91 2kax n SER 51 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2kax h ILE 52 N 0.00 0.00 -0.96 -1.33 -0.00 -1.91 -2.33 117.51 110.98 2kax h ILE 52 Ca 0.00 -0.22 0.11 0.00 -0.00 0.00 0.00 64.86 64.75 2kax h ILE 52 Cb 0.00 1.00 -0.08 0.00 -0.00 0.00 0.00 36.82 37.74 2kax h ILE 52 CO 0.00 0.00 0.59 -0.78 -0.00 0.00 0.00 178.15 177.96 2kax h ASP 53 N 0.00 0.86 0.29 2.16 3.58 -1.30 -0.12 116.42 121.88 2kax h ASP 53 Ca 0.00 0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.33 2kax h ASP 53 Cb 0.28 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2kax h ASP 53 CO 0.00 0.46 -0.67 -0.78 -2.88 0.00 0.00 179.24 175.38 2kax h ASP 54 N 0.94 0.40 -0.58 2.28 3.58 -1.73 -0.85 116.42 120.46 2kax h ASP 54 Ca 0.47 -0.25 0.07 0.00 0.42 0.00 0.00 57.03 57.74 2kax h ASP 54 Cb 0.45 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.33 2kax h ASP 54 CO -0.26 0.95 0.27 -0.07 -2.88 0.00 0.00 179.24 177.26 2kax h LEU 55 N 0.24 0.36 -0.28 2.28 3.38 -1.43 0.56 115.31 120.43 2kax h LEU 55 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kax h LEU 55 Cb 1.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2kax h LEU 55 CO 0.11 0.24 0.15 0.24 0.09 0.00 0.00 178.44 179.26 2kax h MET 56 N 0.51 0.39 0.00 1.13 2.86 -0.91 -0.46 114.93 118.45 2kax h MET 56 Ca 0.27 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2kax h MET 56 Cb 0.23 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2kax h MET 56 CO -0.21 0.36 -0.00 0.87 1.06 0.00 0.00 176.91 178.98 2kax h LYS 57 N 0.33 0.00 0.00 1.72 6.56 -0.64 -0.99 116.57 123.54 2kax h LYS 57 Ca 0.10 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 2kax h LYS 57 Cb 0.08 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.74 2kax h LYS 57 CO -0.01 0.00 -0.11 0.77 -2.06 0.00 0.00 179.45 178.04 2kax h SER 58 N 0.00 0.00 0.06 0.86 0.02 0.98 0.24 113.55 115.70 2kax h SER 58 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kax h SER 58 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2kax h SER 58 CO 0.00 0.11 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.70 2kax h LEU 59 N 0.00 -0.07 -0.44 5.07 3.38 -0.62 -3.35 115.31 119.28 2kax h LEU 59 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2kax h LEU 59 Cb 0.99 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2kax h LEU 59 CO 0.01 0.50 0.00 -0.67 0.09 0.00 0.00 178.44 178.37 2kax n ASP 60 N -4.86 0.40 0.19 -0.43 2.03 -0.42 -3.82 116.55 109.63 2kax n ASP 60 Ca -0.09 -1.81 0.05 0.00 0.52 0.00 0.00 54.79 53.47 2kax n ASP 60 Cb 0.28 -0.20 0.36 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.04 0.00 0.00 -0.67 1.63 -0.67 -3.30 116.57 113.60 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 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2kax h LYS 61 CO 0.00 0.37 -0.69 0.09 -3.45 0.00 0.00 179.45 175.78 2kax n ASN 62 N -3.64 3.43 0.00 4.20 3.02 -1.26 -5.07 115.26 115.93 2kax n ASN 62 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2kax n ASN 62 Cb 0.48 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 2kax n ASN 62 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2kax n SER 63 N -1.48 0.00 -2.75 6.41 3.41 -1.25 -4.72 113.62 113.25 2kax n SER 63 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 2kax n SER 63 Cb 0.31 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 2kax n SER 63 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kax n ASP 64 N 2.13 7.50 -4.30 4.04 8.00 -1.26 -1.55 116.55 131.12 2kax n ASP 64 Ca 0.00 -3.82 -0.16 0.00 0.71 0.00 0.00 54.79 51.51 2kax n ASP 64 Cb 0.00 -1.03 -0.10 0.00 -0.02 0.00 0.00 41.12 39.97 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 -4.00 1.22 0.65 -1.24 -0.21 -1.26 -4.98 119.66 109.83 2kax s GLN 65 Ca 0.55 -1.55 -0.12 0.00 0.02 0.00 0.00 55.36 54.27 2kax s GLN 65 Cb 0.46 -0.79 -0.02 0.00 1.00 0.00 0.00 33.01 33.66 2kax s GLN 65 CO -0.30 0.07 1.04 -1.21 -2.12 0.00 0.00 175.29 172.77 2kax s GLU 66 N -3.74 3.29 0.04 2.91 0.41 -1.26 -0.57 118.70 119.78 2kax s GLU 66 Ca 0.21 0.89 0.09 0.00 -0.41 0.00 0.00 54.97 55.75 2kax s GLU 66 Cb 0.02 -2.04 -0.03 0.00 -1.78 0.00 0.00 34.13 30.31 2kax s GLU 66 CO 0.04 -0.82 -0.25 0.42 -0.49 0.00 0.00 175.26 174.16 2kax s ILE 67 N -3.03 2.04 -0.04 -1.63 1.01 0.49 -4.70 121.20 115.35 2kax s ILE 67 Ca 0.57 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 2kax s ILE 67 Cb -0.13 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2kax s ILE 67 CO 0.52 0.34 0.19 -0.62 0.00 0.00 0.00 174.94 175.37 2kax s ASP 68 N -1.22 6.41 0.63 3.58 -1.08 -1.26 -2.95 116.67 120.78 2kax s ASP 68 Ca 0.11 0.44 0.26 0.00 -0.52 0.00 0.00 52.55 52.84 2kax s ASP 68 Cb -0.10 -2.05 1.28 0.00 -1.46 0.00 0.00 42.92 40.60 2kax s ASP 68 CO 0.02 0.31 1.72 0.15 0.52 0.00 0.00 175.17 177.89 2kax h PHE 69 N 4.24 0.00 -0.12 -5.34 3.04 -1.96 -0.57 116.94 116.23 2kax h PHE 69 Ca -0.51 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.43 2kax h PHE 69 Cb 1.20 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 2kax h PHE 69 CO 0.70 0.00 0.03 0.87 -2.02 0.00 0.00 178.31 177.90 2kax h LYS 70 N 0.00 0.20 -0.48 1.11 6.56 -1.95 -1.21 116.57 120.79 2kax h LYS 70 Ca 0.16 -0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.72 2kax h LYS 70 Cb 1.34 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 32.95 2kax h LYS 70 CO -0.00 0.35 0.32 0.93 -2.06 0.00 0.00 179.45 178.98 2kax h GLU 71 N 0.01 0.57 -0.08 3.15 5.08 -1.51 0.56 114.58 122.35 2kax h GLU 71 Ca 0.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2kax h GLU 71 Cb 0.24 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kax h GLU 71 CO -0.00 0.37 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.38 2kax h TYR 72 N 0.58 0.23 -0.54 4.33 3.20 -1.52 -1.89 116.97 121.36 2kax h TYR 72 Ca 0.19 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 2kax h TYR 72 Cb 0.03 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2kax h TYR 72 CO -0.00 0.64 -0.10 1.03 -1.64 0.00 0.00 178.16 178.08 2kax h SER 73 N -0.25 1.02 0.66 -2.11 0.87 -0.71 -1.58 113.55 111.45 2kax h SER 73 Ca 0.01 -0.33 -0.15 0.00 -1.23 0.00 0.00 61.79 60.09 2kax h SER 73 Cb 0.60 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2kax h SER 73 CO 0.02 1.13 -0.71 -0.37 -0.53 0.00 0.00 176.83 176.37 2kax h VAL 74 N 0.91 1.49 -0.29 2.23 -1.51 -0.99 -0.67 116.25 117.42 2kax h VAL 74 Ca 0.14 -2.38 -0.06 0.00 -1.23 0.00 0.00 66.70 63.17 2kax h VAL 74 Cb 0.67 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 32.10 2kax h VAL 74 CO 0.05 0.68 -0.06 0.15 -1.23 0.00 0.00 177.57 177.16 2kax h PHE 75 N 0.03 0.63 -0.36 5.19 3.04 -1.20 0.16 116.94 124.42 2kax h PHE 75 Ca -0.01 -0.13 -0.11 0.00 3.98 0.00 0.00 57.97 61.70 2kax h PHE 75 Cb 1.25 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.59 2kax h PHE 75 CO 0.00 0.75 -0.23 -0.07 -2.02 0.00 0.00 178.31 176.74 2kax h LEU 76 N 0.33 0.72 -0.18 0.59 3.38 -1.28 0.96 115.31 119.83 2kax h LEU 76 Ca 0.08 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2kax h LEU 76 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kax h LEU 76 CO 0.03 0.93 0.10 0.74 0.09 0.00 0.00 178.44 180.33 2kax h THR 77 N 0.62 1.10 -0.96 0.22 2.02 -1.08 0.61 112.91 115.44 2kax h THR 77 Ca 0.09 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.02 2kax h THR 77 Cb 0.73 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 2kax h THR 77 CO 0.06 0.10 0.62 -0.03 0.37 0.00 0.00 175.52 176.64 2kax h MET 78 N 0.18 1.18 -0.22 6.66 1.85 -0.41 -0.33 114.93 123.84 2kax h MET 78 Ca 0.06 -0.07 -0.11 0.00 -0.61 0.00 0.00 59.70 58.97 2kax h MET 78 Cb 0.07 -0.27 -0.00 0.00 0.43 0.00 0.00 31.60 31.83 2kax h MET 78 CO -0.01 0.78 -0.31 1.25 -0.40 0.00 0.00 176.91 178.22 2kax h LEU 79 N 1.22 0.65 -1.19 3.39 5.85 -0.62 -2.45 115.31 122.16 2kax h LEU 79 Ca 0.38 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2kax h LEU 79 Cb -0.02 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2kax h LEU 79 CO -0.12 1.03 0.31 0.00 -0.34 0.00 0.00 178.44 179.33 2kax h MET 81 N 0.88 0.00 0.00 0.00 1.85 -0.89 0.41 114.93 117.18 2kax h MET 81 Ca 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.31 2kax h MET 81 Cb 0.07 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.10 2kax h MET 81 CO -0.03 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.48 2kax n ALA 82 N -2.06 2.62 -1.50 0.39 0.00 -0.49 -3.94 120.51 115.53 2kax n ALA 82 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kax n ALA 82 Cb 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.87 0.00 1.77 0.00 0.18 -0.35 -4.93 117.16 112.96 2kax n TYR 83 Ca 0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.96 2kax n TYR 83 Cb 0.08 0.07 0.00 0.00 -0.38 0.00 0.00 39.34 39.11 2kax n TYR 83 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2kax n ASN 84 N 0.00 0.15 0.34 9.48 6.94 -0.01 -3.06 115.26 129.10 2kax n ASN 84 Ca 0.00 -1.93 0.20 0.00 -0.02 0.00 0.00 54.58 52.83 2kax n ASN 84 Cb 0.51 -0.08 1.05 0.00 -2.36 0.00 0.00 39.78 38.91 2kax n ASN 84 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 2kax h ASP 85 N 0.01 0.00 0.00 0.53 3.04 -1.87 -2.37 116.42 115.76 2kax h ASP 85 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2kax h ASP 85 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 2kax h ASP 85 CO 0.00 0.00 0.07 0.49 -2.04 0.00 0.00 179.24 177.76 2kax n PHE 86 N -3.01 0.00 0.41 4.15 3.01 -1.17 -1.22 117.46 119.63 2kax n PHE 86 Ca -0.03 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.48 2kax n PHE 86 Cb 0.20 -0.33 -0.01 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 -1.31 0.00 -4.45 1.38 3.72 -0.89 -5.06 117.46 110.85 2kax n PHE 87 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 2kax n PHE 87 Cb 0.07 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.69 2.51 -0.01 4.37 1.43 -0.36 -5.03 118.68 119.90 2kax s LEU 88 Ca 0.07 -0.95 0.07 0.00 -1.03 0.00 0.00 54.13 52.30 2kax s LEU 88 Cb 0.07 -1.13 0.23 0.00 0.03 0.00 0.00 46.19 45.39 2kax s LEU 88 CO 0.25 0.08 1.15 -0.62 0.23 0.00 0.00 176.35 177.45 2kax n GLU 89 N -0.16 1.67 0.00 1.70 4.71 -1.26 -4.93 120.64 122.37 2kax n GLU 89 Ca -0.09 -0.92 0.00 0.00 -0.01 0.00 0.00 57.16 56.14 2kax n GLU 89 Cb 0.58 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 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 0.23 0.00 0.20 1.62 2.03 -1.26 -4.71 116.55 114.66 2kax n ASP 90 Ca 0.08 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.47 2kax n ASP 90 Cb 0.25 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.00 -0.00 1.67 -0.73 -2.02 -3.54 115.58 110.95 2kax h ASN 91 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2kax h ASN 91 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 2kax h ASN 91 CO 0.00 0.30 0.00 0.29 -0.37 0.00 0.00 177.43 177.65