#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 -4.02 2.12 4.07 -1.26 -5.20 120.64 116.35 2kax n GLU 2 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 2kax n GLU 2 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 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 0.00 0.19 0.25 6.31 -4.23 -1.26 -5.08 115.64 111.81 2kax s THR 3 Ca 0.00 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2kax s THR 3 Cb 0.00 -1.30 0.02 0.00 1.34 0.00 0.00 72.50 72.56 2kax s THR 3 CO 0.00 -0.84 1.64 1.55 -0.54 0.00 0.00 174.62 176.43 2kax h PRO 4 N 3.26 0.49 -0.10 3.99 0.13 -2.04 -3.18 132.00 134.56 2kax h PRO 4 Ca -0.34 -0.23 -0.12 0.00 -0.87 0.00 0.00 66.00 64.44 2kax h PRO 4 Cb 1.16 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kax h PRO 4 CO 0.60 0.79 -0.47 1.25 -0.23 0.00 0.00 178.00 179.94 2kax h LEU 5 N 0.42 0.25 -0.78 1.56 5.85 -2.02 -1.92 115.31 118.67 2kax h LEU 5 Ca 0.04 -0.12 0.16 0.00 0.84 0.00 0.00 57.88 58.81 2kax h LEU 5 Cb 0.83 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.68 2kax h LEU 5 CO 0.07 0.69 0.29 -0.33 -0.34 0.00 0.00 178.44 178.81 2kax h GLU 6 N 0.19 0.38 0.00 1.25 5.08 -1.98 -2.28 114.58 117.21 2kax h GLU 6 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2kax h GLU 6 Cb 0.90 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2kax h GLU 6 CO 0.07 0.25 -0.06 0.87 -1.00 0.00 0.00 179.01 179.14 2kax h LYS 7 N 0.39 0.00 0.10 2.33 1.79 -1.40 0.13 116.57 119.90 2kax h LYS 7 Ca 0.45 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.91 2kax h LYS 7 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2kax h LYS 7 CO -0.46 0.06 -0.05 0.00 -1.08 0.00 0.00 179.45 177.92 2kax h ALA 8 N 1.94 -0.13 -0.47 3.86 0.00 -1.39 -0.80 119.26 122.27 2kax h ALA 8 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2kax h ALA 8 Cb 0.45 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2kax h ALA 8 CO 0.01 -0.50 0.19 -0.07 0.00 0.00 0.00 179.25 178.88 2kax h LEU 9 N -0.28 0.65 -0.62 0.00 -0.00 -1.31 -0.46 115.31 113.30 2kax h LEU 9 Ca -0.01 -0.17 0.12 0.00 -0.00 0.00 0.00 57.88 57.82 2kax h LEU 9 Cb 0.23 -0.17 -0.09 0.00 -0.00 0.00 0.00 40.66 40.64 2kax h LEU 9 CO 0.02 0.64 0.14 0.74 -0.00 0.00 0.00 178.44 179.98 2kax h THR 10 N 0.63 0.63 -0.21 0.22 2.02 -0.99 0.21 112.91 115.41 2kax h THR 10 Ca 0.16 -0.09 -0.17 0.00 0.77 0.00 0.00 66.41 67.08 2kax h THR 10 Cb 0.19 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2kax h THR 10 CO -0.01 0.05 -0.56 0.74 0.37 0.00 0.00 175.52 176.11 2kax h THR 11 N 0.27 1.31 -0.04 3.16 2.02 -0.76 -1.53 112.91 117.33 2kax h THR 11 Ca 0.33 -1.79 -0.00 0.00 0.77 0.00 0.00 66.41 65.71 2kax h THR 11 Cb 0.49 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2kax h THR 11 CO -0.41 0.56 0.01 0.24 0.37 0.00 0.00 175.52 176.29 2kax h MET 12 N 0.48 0.06 0.00 6.66 2.07 -0.48 -0.89 114.93 122.83 2kax h MET 12 Ca 0.01 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.59 2kax h MET 12 Cb 1.12 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.83 2kax h MET 12 CO 0.11 0.23 -0.18 -0.39 1.07 0.00 0.00 176.91 177.75 2kax h VAL 13 N -0.12 0.89 0.14 -2.22 -1.51 -0.57 -1.38 116.25 111.47 2kax h VAL 13 Ca 0.01 -0.68 -0.01 0.00 -1.23 0.00 0.00 66.70 64.80 2kax h VAL 13 Cb 0.19 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2kax h VAL 13 CO -0.00 0.18 -0.07 0.74 -1.23 0.00 0.00 177.57 177.19 2kax h THR 14 N 0.00 0.99 -0.62 7.19 2.02 -1.08 -2.33 112.91 119.09 2kax h THR 14 Ca -0.00 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 2kax h THR 14 Cb 0.38 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 2kax h THR 14 CO 0.02 0.24 0.22 0.71 0.37 0.00 0.00 175.52 177.08 2kax h THR 15 N -0.77 1.24 -0.45 3.16 1.35 -1.07 -1.44 112.91 114.93 2kax h THR 15 Ca -0.02 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 65.03 2kax h THR 15 Cb 0.54 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 2kax h THR 15 CO 0.03 0.30 0.18 0.15 -0.25 0.00 0.00 175.52 175.94 2kax h PHE 16 N 0.87 0.69 -0.41 4.73 3.04 -1.37 -2.90 116.94 121.59 2kax h PHE 16 Ca 0.20 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 2kax h PHE 16 Cb 0.25 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 2kax h PHE 16 CO 0.02 0.59 0.20 1.25 -2.02 0.00 0.00 178.31 178.35 2kax h HIS 17 N 0.59 0.55 -0.01 0.41 2.76 -1.21 -1.40 115.15 116.85 2kax h HIS 17 Ca 0.15 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2kax h HIS 17 Cb 0.19 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2kax h HIS 17 CO 0.00 0.41 0.01 -0.22 -1.30 0.00 0.00 177.93 176.83 2kax h LYS 18 N 0.57 0.00 0.00 5.26 3.11 -1.04 0.37 116.57 124.83 2kax h LYS 18 Ca 0.15 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.68 2kax h LYS 18 Cb 0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.23 2kax h LYS 18 CO -0.02 0.00 -2.16 0.66 -2.81 0.00 0.00 179.45 175.12 2kax n TYR 19 N -3.60 0.00 0.26 1.91 4.02 -1.10 -4.51 117.16 114.14 2kax n TYR 19 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.94 2kax n TYR 19 Cb 0.09 -0.80 0.63 0.00 -0.02 0.00 0.00 39.34 39.24 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 0.00 0.00 0.00 7.72 0.02 -0.93 -1.54 113.55 118.82 2kax h SER 20 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2kax h SER 20 Cb 1.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.35 2kax h SER 20 CO -0.04 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 2kax n GLY 21 N -1.49 -0.39 0.05 -3.77 0.00 0.09 -1.36 105.19 98.33 2kax n GLY 21 Ca -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.55 3.92 -2.81 1.61 1.74 -0.58 -5.05 116.66 114.95 2kax n ARG 22 Ca 0.01 -0.22 -0.16 0.00 -0.77 0.00 0.00 57.85 56.71 2kax n ARG 22 Cb 0.00 -0.81 0.01 0.00 -1.02 0.00 0.00 32.46 30.64 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 -0.71 0.92 0.04 5.56 -0.58 -0.46 -5.01 120.64 120.39 2kax n GLU 23 Ca 0.01 -2.15 0.04 0.00 -0.42 0.00 0.00 57.16 54.64 2kax n GLU 23 Cb 0.08 0.14 0.18 0.00 -0.57 0.00 0.00 31.44 31.27 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 0.70 -0.68 3.49 0.62 0.00 -1.26 -4.63 105.19 103.43 2kax n GLY 24 Ca 0.02 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.25 -0.63 0.00 1.61 0.15 -1.26 -5.04 113.70 105.29 2kax s SER 25 Ca 0.01 0.50 0.17 0.00 0.70 0.00 0.00 55.95 57.33 2kax s SER 25 Cb 0.03 0.55 1.03 0.00 -1.71 0.00 0.00 66.02 65.92 2kax s SER 25 CO 0.09 -0.71 1.50 2.29 1.20 0.00 0.00 173.24 177.61 2kax n LYS 26 N 0.52 0.74 0.00 5.44 2.85 -1.26 -3.05 118.16 123.40 2kax n LYS 26 Ca -0.18 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.12 2kax n LYS 26 Cb 0.59 -1.36 -0.03 0.00 -0.65 0.00 0.00 35.03 33.58 2kax n LYS 26 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kax n LEU 27 N -0.86 0.57 -4.01 -5.58 4.77 -1.26 -4.49 117.00 106.13 2kax n LEU 27 Ca 0.13 -0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 55.44 2kax n LEU 27 Cb 0.06 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 2kax n LEU 27 CO 0.10 0.13 -0.12 0.42 -1.33 0.00 0.00 177.39 176.59 2kax s THR 28 N -1.57 0.08 0.10 -5.08 -4.23 -1.17 -4.73 115.64 99.03 2kax s THR 28 Ca 0.04 -1.54 -0.21 0.00 -1.18 0.00 0.00 61.69 58.80 2kax s THR 28 Cb 0.06 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 72.09 2kax s THR 28 CO 0.28 -0.39 0.50 -1.48 -0.54 0.00 0.00 174.62 173.00 2kax s LEU 29 N -2.98 -0.06 0.56 4.79 2.34 -1.02 -4.38 118.68 117.93 2kax s LEU 29 Ca 0.18 -0.01 -0.19 0.00 0.06 0.00 0.00 54.13 54.17 2kax s LEU 29 Cb 0.05 2.16 -0.05 0.00 -0.56 0.00 0.00 46.19 47.78 2kax s LEU 29 CO -0.00 -0.82 1.15 -0.94 -1.06 0.00 0.00 176.35 174.67 2kax s SER 30 N -2.40 5.60 0.54 1.48 1.04 -1.26 -0.72 113.70 117.98 2kax s SER 30 Ca -0.01 2.22 0.36 0.00 0.48 0.00 0.00 55.95 59.00 2kax s SER 30 Cb 0.00 -2.58 1.90 0.00 0.10 0.00 0.00 66.02 65.44 2kax s SER 30 CO -0.07 -1.30 2.10 0.03 0.98 0.00 0.00 173.24 174.97 2kax h ARG 31 N 1.12 0.00 0.21 4.02 3.08 -0.42 0.02 114.38 122.41 2kax h ARG 31 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2kax h ARG 31 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2kax h ARG 31 CO 0.56 0.00 -0.10 -0.22 -1.07 0.00 0.00 179.97 179.15 2kax h LYS 32 N 0.00 -0.27 -0.23 0.04 1.63 -1.47 -3.22 116.57 113.05 2kax h LYS 32 Ca 0.00 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2kax h LYS 32 Cb 0.07 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 2kax h LYS 32 CO 0.00 0.12 0.08 1.49 -3.45 0.00 0.00 179.45 177.69 2kax h GLU 33 N -0.81 0.18 -0.82 1.90 4.57 -1.62 -2.69 114.58 115.29 2kax h GLU 33 Ca -0.03 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.20 2kax h GLU 33 Cb 0.51 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 2kax h GLU 33 CO 0.05 0.12 0.50 1.25 -1.18 0.00 0.00 179.01 179.75 2kax h LEU 34 N 0.18 0.79 -0.99 1.64 5.85 -1.19 -1.82 115.31 119.76 2kax h LEU 34 Ca 0.10 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 2kax h LEU 34 Cb 0.07 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2kax h LEU 34 CO -0.11 0.51 -0.46 0.07 -0.34 0.00 0.00 178.44 178.11 2kax h LYS 35 N 0.92 0.00 0.30 1.25 2.10 -1.52 -1.89 116.57 117.73 2kax h LYS 35 Ca 0.35 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.00 2kax h LYS 35 Cb 0.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2kax h LYS 35 CO -0.17 0.46 -0.20 1.49 -2.00 0.00 0.00 179.45 179.03 2kax h GLU 36 N 0.00 -0.48 -0.71 0.07 4.57 -1.10 -2.94 114.58 113.99 2kax h GLU 36 Ca -0.00 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.35 2kax h GLU 36 Cb 0.89 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 29.49 2kax h GLU 36 CO 0.06 -0.32 0.19 1.25 -1.18 0.00 0.00 179.01 179.01 2kax h LEU 37 N -0.49 0.06 -1.62 1.64 5.85 -0.58 0.15 115.31 120.32 2kax h LEU 37 Ca -0.03 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2kax h LEU 37 Cb 0.42 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2kax h LEU 37 CO 0.01 0.00 -0.09 0.40 -0.34 0.00 0.00 178.44 178.43 2kax h ILE 38 N 0.30 1.12 -0.00 4.05 2.04 -1.42 -0.37 117.51 123.23 2kax h ILE 38 Ca 0.39 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2kax h ILE 38 Cb 0.63 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2kax h ILE 38 CO -0.46 0.16 -0.29 0.29 0.00 0.00 0.00 178.15 177.84 2kax n LYS 39 N -4.36 0.14 -0.13 2.37 4.01 -0.10 -3.98 118.16 116.11 2kax n LYS 39 Ca -0.01 -0.06 -0.28 0.00 -0.51 0.00 0.00 58.31 57.44 2kax n LYS 39 Cb 0.21 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 33.13 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 -1.38 0.58 -0.97 1.97 4.76 -0.40 -4.64 118.16 118.09 2kax n LYS 40 Ca 0.07 0.29 -0.04 0.00 -2.87 0.00 0.00 58.31 55.76 2kax n LYS 40 Cb 0.33 -1.51 0.30 0.00 -1.84 0.00 0.00 35.03 32.31 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 -4.28 3.57 -3.67 1.97 1.02 -0.25 -4.90 120.64 114.11 2kax n GLU 41 Ca -0.51 -3.09 -0.15 0.00 -0.02 0.00 0.00 57.16 53.40 2kax n GLU 41 Cb 0.85 -2.17 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 2kax n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kax s LEU 42 N -3.00 0.07 0.05 -4.62 1.43 -1.26 -5.01 118.68 106.35 2kax s LEU 42 Ca 0.54 0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2kax s LEU 42 Cb 0.43 1.83 -0.01 0.00 0.03 0.00 0.00 46.19 48.48 2kax s LEU 42 CO 0.12 -0.36 -0.03 0.00 0.23 0.00 0.00 176.35 176.31 2kax n LEU 44 N -3.45 -0.94 0.00 0.00 7.94 -1.26 -4.77 117.00 114.52 2kax n LEU 44 Ca -0.02 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2kax n LEU 44 Cb 0.16 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.66 2kax n LEU 44 CO 0.01 -0.28 0.00 0.61 -1.11 0.00 0.00 177.39 176.62 2kax n GLY 45 N -1.55 0.38 0.00 -3.96 0.00 -1.26 -3.51 105.19 95.28 2kax n GLY 45 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.15 0.00 1.61 0.28 -1.26 -4.91 120.64 117.51 2kax n GLU 46 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 2kax n GLU 46 Cb 0.00 -0.10 0.55 0.00 1.43 0.00 0.00 31.44 33.32 2kax n GLU 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kax n MET 47 N 0.00 0.48 -3.46 3.44 0.00 -1.23 -4.85 117.12 111.51 2kax n MET 47 Ca 0.00 0.04 -0.34 0.00 0.00 0.00 0.00 57.70 57.40 2kax n MET 47 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.67 2kax n MET 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2kax s LYS 48 N -2.23 3.85 0.65 3.17 0.00 -1.26 -4.73 119.74 119.19 2kax s LYS 48 Ca 0.25 0.31 -0.11 0.00 0.00 0.00 0.00 55.97 56.41 2kax s LYS 48 Cb 0.13 -2.87 -0.02 0.00 0.00 0.00 0.00 37.83 35.07 2kax s LYS 48 CO 0.25 0.46 1.05 -1.21 0.00 0.00 0.00 175.35 175.90 2kax s GLU 49 N -2.21 3.24 0.00 1.78 2.02 -1.26 -4.95 118.70 117.33 2kax s GLU 49 Ca 0.39 0.90 0.00 0.00 0.02 0.00 0.00 54.97 56.29 2kax s GLU 49 Cb -0.14 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.08 2kax s GLU 49 CO 0.20 -0.86 0.96 0.45 0.02 0.00 0.00 175.26 176.03 2kax n SER 50 N -2.85 0.01 0.31 -0.19 2.88 -1.26 -2.15 113.62 110.37 2kax n SER 50 Ca 0.07 0.46 0.19 0.00 -1.33 0.00 0.00 58.87 58.26 2kax n SER 50 Cb 0.54 -0.46 1.06 0.00 -0.75 0.00 0.00 64.21 64.60 2kax n SER 50 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2kax h SER 51 N 0.00 0.00 0.41 -3.46 0.87 -1.96 -1.08 113.55 108.33 2kax h SER 51 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2kax h SER 51 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2kax h SER 51 CO 0.00 0.00 -0.26 0.16 -0.53 0.00 0.00 176.83 176.20 2kax h ILE 52 N 0.00 0.97 0.00 2.23 -0.00 -1.80 -2.36 117.51 116.55 2kax h ILE 52 Ca 0.01 -0.97 0.00 0.00 -0.00 0.00 0.00 64.86 63.90 2kax h ILE 52 Cb 0.08 1.55 0.00 0.00 -0.00 0.00 0.00 36.82 38.45 2kax h ILE 52 CO -0.00 0.25 -0.78 0.47 -0.00 0.00 0.00 178.15 178.10 2kax n ASP 53 N -3.91 0.69 -0.12 2.16 8.00 -0.46 -2.70 116.55 120.21 2kax n ASP 53 Ca -0.02 -0.49 -0.12 0.00 0.71 0.00 0.00 54.79 54.87 2kax n ASP 53 Cb 0.34 0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 42.03 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 0.74 -0.38 -2.24 1.82 -1.09 -1.53 116.42 113.73 2kax h ASP 54 Ca 0.00 -0.40 0.06 0.00 -0.39 0.00 0.00 57.03 56.30 2kax h ASP 54 Cb 0.55 -0.20 -0.06 0.00 0.68 0.00 0.00 39.33 40.30 2kax h ASP 54 CO 0.00 0.98 0.04 -0.07 -1.61 0.00 0.00 179.24 178.58 2kax h LEU 55 N 0.50 -0.06 -0.19 2.28 3.38 -1.42 0.33 115.31 120.14 2kax h LEU 55 Ca 0.08 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2kax h LEU 55 Cb 0.70 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 2kax h LEU 55 CO 0.05 0.01 -0.11 0.24 0.09 0.00 0.00 178.44 178.71 2kax h MET 56 N 0.16 -0.10 0.00 1.13 2.86 -1.53 -1.95 114.93 115.49 2kax h MET 56 Ca 0.18 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2kax h MET 56 Cb 0.24 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2kax h MET 56 CO -0.27 -0.07 -0.15 -0.22 1.06 0.00 0.00 176.91 177.26 2kax h LYS 57 N -0.11 0.00 0.00 1.72 3.11 -0.82 -2.81 116.57 117.67 2kax h LYS 57 Ca 0.11 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 2kax h LYS 57 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 2kax h LYS 57 CO -0.25 0.15 0.00 1.03 -2.81 0.00 0.00 179.45 177.57 2kax h SER 58 N 0.00 0.00 0.23 4.20 0.87 0.43 -2.27 113.55 117.01 2kax h SER 58 Ca -0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 2kax h SER 58 Cb 0.36 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2kax h SER 58 CO 0.02 0.00 -1.44 -0.07 -0.53 0.00 0.00 176.83 174.81 2kax h LEU 59 N 0.00 0.76 0.00 2.23 3.38 -1.25 -3.34 115.31 117.09 2kax h LEU 59 Ca 0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2kax h LEU 59 Cb 0.69 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2kax h LEU 59 CO 0.00 1.69 0.00 0.47 0.09 0.00 0.00 178.44 180.69 2kax n ASP 60 N -3.76 0.00 -0.50 -0.43 8.00 -1.02 -0.44 116.55 118.40 2kax n ASP 60 Ca -0.18 0.48 0.39 0.00 0.71 0.00 0.00 54.79 56.19 2kax n ASP 60 Cb 1.06 -0.49 0.62 0.00 -0.02 0.00 0.00 41.12 42.30 2kax n ASP 60 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2kax n LYS 61 N -1.49 -0.01 0.02 -1.24 3.00 -0.89 -4.43 118.16 113.12 2kax n LYS 61 Ca 0.02 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.27 2kax n LYS 61 Cb 0.11 -2.03 0.00 0.00 0.00 0.00 0.00 35.03 33.12 2kax n LYS 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kax n ASN 62 N -3.86 -0.32 0.00 3.14 4.13 -0.37 -5.09 115.26 112.89 2kax n ASN 62 Ca 0.35 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.70 2kax n ASN 62 Cb 1.50 0.59 0.00 0.00 -1.54 0.00 0.00 39.78 40.33 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 -2.61 0.00 -2.17 6.41 2.88 0.42 -4.59 113.62 113.96 2kax n SER 63 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 2kax n SER 63 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 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 1.53 6.17 -4.36 -3.46 8.00 -1.26 -1.27 116.55 121.90 2kax n ASP 64 Ca 0.00 -3.54 -0.28 0.00 0.71 0.00 0.00 54.79 51.68 2kax n ASP 64 Cb 0.00 -0.93 -0.13 0.00 -0.02 0.00 0.00 41.12 40.04 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 -3.18 1.36 0.36 -1.24 -0.21 -1.26 -4.95 119.66 110.54 2kax s GLN 65 Ca 0.54 -1.28 -0.27 0.00 0.02 0.00 0.00 55.36 54.38 2kax s GLN 65 Cb 0.44 -1.77 -0.09 0.00 1.00 0.00 0.00 33.01 32.58 2kax s GLN 65 CO 0.03 0.42 1.19 -1.21 -2.12 0.00 0.00 175.29 173.60 2kax s GLU 66 N -1.94 4.23 0.15 2.91 2.02 -1.26 -1.19 118.70 123.61 2kax s GLU 66 Ca 0.12 1.93 0.06 0.00 0.02 0.00 0.00 54.97 57.10 2kax s GLU 66 Cb -0.10 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2kax s GLU 66 CO 0.05 -0.20 -0.14 0.96 0.02 0.00 0.00 175.26 175.95 2kax s ILE 67 N -1.30 1.44 0.02 -1.63 -4.36 0.10 -4.87 121.20 110.60 2kax s ILE 67 Ca 0.53 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 2kax s ILE 67 Cb -0.33 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.67 2kax s ILE 67 CO 0.43 -0.48 0.02 -0.90 0.24 0.00 0.00 174.94 174.24 2kax n ASP 68 N 0.24 0.74 0.17 4.36 5.75 -1.26 -2.43 116.55 124.11 2kax n ASP 68 Ca -0.13 -1.06 0.08 0.00 -0.01 0.00 0.00 54.79 53.68 2kax n ASP 68 Cb 0.58 -0.01 0.45 0.00 -1.03 0.00 0.00 41.12 41.11 2kax n ASP 68 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2kax n PHE 69 N -0.70 0.56 0.07 2.11 3.72 -1.26 -3.12 117.46 118.84 2kax n PHE 69 Ca 0.00 0.29 -0.04 0.00 -0.05 0.00 0.00 57.45 57.65 2kax n PHE 69 Cb 0.02 -0.83 -0.02 0.00 -0.94 0.00 0.00 39.48 37.70 2kax n PHE 69 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2kax h LYS 70 N 0.00 -0.28 -0.59 -1.08 1.57 -1.99 0.61 116.57 114.82 2kax h LYS 70 Ca 0.00 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 2kax h LYS 70 Cb 0.39 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.67 2kax h LYS 70 CO 0.00 -0.18 0.05 0.93 -0.57 0.00 0.00 179.45 179.68 2kax h GLU 71 N -1.05 0.16 -0.15 3.15 4.39 -1.99 -1.91 114.58 117.19 2kax h GLU 71 Ca -0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kax h GLU 71 Cb 0.22 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2kax h GLU 71 CO 0.05 0.11 0.09 -0.92 -1.16 0.00 0.00 179.01 177.18 2kax h TYR 72 N 0.17 0.18 -0.19 4.33 3.20 -1.53 0.17 116.97 123.29 2kax h TYR 72 Ca 0.31 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.08 2kax h TYR 72 Cb 0.48 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2kax h TYR 72 CO -0.31 0.11 -0.28 0.66 -1.64 0.00 0.00 178.16 176.70 2kax h SER 73 N 0.19 0.58 0.26 -2.11 4.64 -0.73 -1.76 113.55 114.62 2kax h SER 73 Ca 0.06 -0.52 -0.09 0.00 -0.47 0.00 0.00 61.79 60.77 2kax h SER 73 Cb -0.01 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2kax h SER 73 CO -0.02 0.98 -0.37 -0.37 -0.87 0.00 0.00 176.83 176.18 2kax h VAL 74 N 0.19 1.29 -0.09 0.95 -1.51 -1.23 -1.42 116.25 114.42 2kax h VAL 74 Ca 0.02 -1.38 -0.03 0.00 -1.23 0.00 0.00 66.70 64.08 2kax h VAL 74 Cb 0.85 1.64 -0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2kax h VAL 74 CO 0.06 0.41 -0.05 0.15 -1.23 0.00 0.00 177.57 176.91 2kax h PHE 75 N 0.14 0.23 -0.43 5.19 3.04 -0.61 0.91 116.94 125.42 2kax h PHE 75 Ca 0.02 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 2kax h PHE 75 Cb 0.72 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 2kax h PHE 75 CO 0.01 0.57 0.26 -0.07 -2.02 0.00 0.00 178.31 177.06 2kax h LEU 76 N -0.17 0.51 0.02 0.59 3.38 -1.25 0.11 115.31 118.50 2kax h LEU 76 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kax h LEU 76 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kax h LEU 76 CO 0.02 0.39 -0.01 0.74 0.09 0.00 0.00 178.44 179.67 2kax h THR 77 N 0.59 1.40 -0.14 0.22 2.02 -1.09 -0.76 112.91 115.15 2kax h THR 77 Ca 0.16 -1.34 -0.08 0.00 0.77 0.00 0.00 66.41 65.91 2kax h THR 77 Cb -0.02 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2kax h THR 77 CO -0.03 0.34 -0.28 0.24 0.37 0.00 0.00 175.52 176.16 2kax h MET 78 N -0.61 0.26 -0.33 6.66 2.86 -0.72 -1.89 114.93 121.15 2kax h MET 78 Ca -0.00 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2kax h MET 78 Cb 0.58 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2kax h MET 78 CO 0.00 0.52 0.17 1.25 1.06 0.00 0.00 176.91 179.92 2kax h LEU 79 N 0.23 0.42 -1.02 1.22 5.85 -0.81 -2.56 115.31 118.65 2kax h LEU 79 Ca 0.03 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.72 2kax h LEU 79 Cb 0.62 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 2kax h LEU 79 CO 0.04 0.41 0.64 0.00 -0.34 0.00 0.00 178.44 179.20 2kax n MET 81 N -4.51 0.01 -0.12 0.00 0.00 -0.74 -1.50 117.12 110.26 2kax n MET 81 Ca 0.16 0.34 0.04 0.00 -0.00 0.00 0.00 57.70 58.23 2kax n MET 81 Cb 0.21 -1.50 0.11 0.00 0.00 0.00 0.00 33.22 32.04 2kax n MET 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kax n ALA 82 N -1.48 2.46 -0.91 -5.12 0.00 -0.45 -4.42 120.51 110.60 2kax n ALA 82 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2kax n ALA 82 Cb 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.19 0.00 1.89 0.00 0.18 -0.98 -4.09 117.16 114.35 2kax n TYR 83 Ca 0.08 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.88 2kax n TYR 83 Cb 0.20 0.03 0.15 0.00 -0.38 0.00 0.00 39.34 39.34 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 0.00 0.02 9.48 0.23 -0.56 -2.06 115.26 122.37 2kax n ASN 84 Ca 0.00 -1.74 0.02 0.00 -0.53 0.00 0.00 54.58 52.33 2kax n ASN 84 Cb 0.13 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 37.93 2kax n ASN 84 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2kax n ASP 85 N -0.58 0.06 0.14 0.53 8.00 -1.26 -1.97 116.55 121.46 2kax n ASP 85 Ca 0.04 0.53 0.08 0.00 0.71 0.00 0.00 54.79 56.15 2kax n ASP 85 Cb 0.02 -0.53 0.45 0.00 -0.02 0.00 0.00 41.12 41.03 2kax n ASP 85 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2kax n PHE 86 N -1.58 0.56 -0.79 1.24 7.35 -0.87 -0.98 117.46 122.39 2kax n PHE 86 Ca 0.00 0.29 0.08 0.00 -0.76 0.00 0.00 57.45 57.07 2kax n PHE 86 Cb 0.03 -0.92 0.32 0.00 0.35 0.00 0.00 39.48 39.26 2kax n PHE 86 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2kax n PHE 87 N -2.09 1.40 -4.32 -5.13 3.72 -0.83 -4.99 117.46 105.22 2kax n PHE 87 Ca -0.01 -0.73 -0.17 0.00 -0.05 0.00 0.00 57.45 56.49 2kax n PHE 87 Cb 0.10 -0.33 -0.10 0.00 -0.94 0.00 0.00 39.48 38.21 2kax n PHE 87 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kax s LEU 88 N -2.38 2.44 0.00 4.37 1.43 -0.15 -5.06 118.68 119.33 2kax s LEU 88 Ca 0.47 -1.09 0.24 0.00 -1.03 0.00 0.00 54.13 52.72 2kax s LEU 88 Cb 0.34 -0.44 0.25 0.00 0.03 0.00 0.00 46.19 46.37 2kax s LEU 88 CO 0.16 -0.34 1.27 -0.62 0.23 0.00 0.00 176.35 177.05 2kax n GLU 89 N -0.35 1.72 -0.54 1.70 4.71 -1.26 -4.97 120.64 121.65 2kax n GLU 89 Ca -0.08 -1.36 0.00 0.00 -0.01 0.00 0.00 57.16 55.71 2kax n GLU 89 Cb 0.62 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.58 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 0.55 0.00 0.14 1.62 2.03 -1.26 -4.83 116.55 114.80 2kax n ASP 90 Ca 0.13 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.55 2kax n ASP 90 Cb 0.50 -2.25 0.53 0.00 -0.72 0.00 0.00 41.12 39.19 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 0.00 0.63 0.00 1.67 5.03 -1.26 -5.30 115.26 116.03 2kax n ASN 91 Ca 0.00 0.71 0.00 0.00 0.87 0.00 0.00 54.58 56.16 2kax n ASN 91 Cb 0.00 -0.82 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72