#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 1.03 0.09 2.12 0.41 -1.26 -5.14 118.70 115.96 2kax s GLU 2 Ca 0.00 -0.27 -0.13 0.00 -0.41 0.00 0.00 54.97 54.16 2kax s GLU 2 Cb 0.00 -1.66 0.02 0.00 -1.78 0.00 0.00 34.13 30.71 2kax s GLU 2 CO 0.00 -0.41 0.31 0.95 -0.49 0.00 0.00 175.26 175.62 2kax s THR 3 N 1.79 0.09 0.24 3.63 -4.23 -1.26 -5.09 115.64 110.82 2kax s THR 3 Ca 0.02 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 2kax s THR 3 Cb -0.14 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.58 2kax s THR 3 CO -0.07 -0.43 1.65 1.55 -0.54 0.00 0.00 174.62 176.78 2kax h PRO 4 N 2.72 0.58 -0.27 3.99 0.13 -2.01 -2.93 132.00 134.21 2kax h PRO 4 Ca -0.33 -0.25 -0.13 0.00 -0.87 0.00 0.00 66.00 64.42 2kax h PRO 4 Cb 1.22 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kax h PRO 4 CO 0.49 0.82 -0.35 1.25 -0.23 0.00 0.00 178.00 179.98 2kax h LEU 5 N 0.50 0.63 -1.89 1.56 7.12 -2.00 -2.35 115.31 118.88 2kax h LEU 5 Ca 0.06 -0.26 0.20 0.00 0.13 0.00 0.00 57.88 58.01 2kax h LEU 5 Cb 0.78 -0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 40.70 2kax h LEU 5 CO 0.06 0.92 0.52 -0.33 -0.13 0.00 0.00 178.44 179.49 2kax h GLU 6 N 0.51 0.10 0.00 1.25 5.08 -1.94 0.92 114.58 120.48 2kax h GLU 6 Ca 0.05 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 2kax h GLU 6 Cb 0.84 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2kax h GLU 6 CO 0.07 0.06 -0.61 0.87 -1.00 0.00 0.00 179.01 178.41 2kax h LYS 7 N 0.10 0.00 0.00 2.33 1.79 -1.46 0.42 116.57 119.75 2kax h LYS 7 Ca 0.36 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2kax h LYS 7 Cb 1.27 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2kax h LYS 7 CO -0.04 0.61 -0.02 0.00 -1.08 0.00 0.00 179.45 178.92 2kax h ALA 8 N 1.39 0.00 -0.93 3.86 0.00 -1.03 -1.39 119.26 121.17 2kax h ALA 8 Ca -0.01 -0.47 0.11 0.00 0.00 0.00 0.00 54.91 54.54 2kax h ALA 8 Cb 1.45 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2kax h ALA 8 CO 0.08 0.01 0.56 -0.07 0.00 0.00 0.00 179.25 179.83 2kax h LEU 9 N -1.00 0.82 -0.09 0.00 -0.00 -1.00 0.51 115.31 114.55 2kax h LEU 9 Ca -0.01 0.05 0.04 0.00 -0.00 0.00 0.00 57.88 57.96 2kax h LEU 9 Cb 0.93 -0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 41.42 2kax h LEU 9 CO -0.00 0.45 -0.27 0.74 -0.00 0.00 0.00 178.44 179.36 2kax h THR 10 N 0.91 0.38 -0.96 0.22 2.02 -0.99 -0.46 112.91 114.03 2kax h THR 10 Ca 0.45 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.72 2kax h THR 10 Cb 0.43 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 2kax h THR 10 CO -0.26 0.00 0.60 0.74 0.37 0.00 0.00 175.52 176.98 2kax h THR 11 N -0.36 1.00 -0.11 3.16 2.02 -0.17 0.12 112.91 118.56 2kax h THR 11 Ca 0.09 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2kax h THR 11 Cb 0.49 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2kax h THR 11 CO -0.30 0.19 0.05 0.24 0.37 0.00 0.00 175.52 176.07 2kax h MET 12 N 1.03 0.16 -0.22 6.66 2.07 -0.36 -0.48 114.93 123.80 2kax h MET 12 Ca 0.44 -0.03 -0.12 0.00 -2.07 0.00 0.00 59.70 57.93 2kax h MET 12 Cb 0.31 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 2kax h MET 12 CO -0.22 0.24 -0.36 -0.39 1.07 0.00 0.00 176.91 177.25 2kax h VAL 13 N 0.05 1.29 0.16 -2.22 -1.51 -0.40 -1.60 116.25 112.02 2kax h VAL 13 Ca 0.04 -1.48 -0.01 0.00 -1.23 0.00 0.00 66.70 64.02 2kax h VAL 13 Cb 0.13 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2kax h VAL 13 CO -0.00 0.46 -0.08 0.74 -1.23 0.00 0.00 177.57 177.46 2kax h THR 14 N 0.40 0.91 -0.40 7.19 2.02 -0.74 -0.76 112.91 121.53 2kax h THR 14 Ca 0.04 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2kax h THR 14 Cb 0.82 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2kax h THR 14 CO 0.07 0.08 0.07 0.71 0.37 0.00 0.00 175.52 176.81 2kax h THR 15 N -0.37 1.19 -0.31 3.16 1.35 -1.01 0.03 112.91 116.95 2kax h THR 15 Ca -0.02 -0.72 -0.03 0.00 -0.55 0.00 0.00 66.41 65.08 2kax h THR 15 Cb 0.29 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 2kax h THR 15 CO 0.04 0.26 0.06 0.15 -0.25 0.00 0.00 175.52 175.77 2kax h PHE 16 N 0.59 0.53 0.00 4.73 3.04 -1.25 -3.22 116.94 121.35 2kax h PHE 16 Ca 0.13 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.01 2kax h PHE 16 Cb 0.27 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2kax h PHE 16 CO 0.01 0.58 0.00 1.58 -2.02 0.00 0.00 178.31 178.46 2kax n HIS 17 N -4.64 0.40 0.00 0.41 -0.00 -0.30 -0.21 115.22 110.88 2kax n HIS 17 Ca -0.02 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.28 2kax n HIS 17 Cb 0.21 -0.70 0.00 0.00 -0.12 0.00 0.00 29.99 29.37 2kax n HIS 17 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2kax n LYS 18 N -1.83 0.00 0.09 1.57 0.00 -0.05 -3.94 118.16 114.00 2kax n LYS 18 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 58.31 58.84 2kax n LYS 18 Cb 0.33 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 33.84 2kax n LYS 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2kax n TYR 19 N -1.47 -1.31 -1.51 5.64 4.01 -0.89 -5.04 117.16 116.60 2kax n TYR 19 Ca 0.00 0.23 -0.30 0.00 -0.16 0.00 0.00 57.90 57.67 2kax n TYR 19 Cb 0.02 0.35 -0.17 0.00 -0.31 0.00 0.00 39.34 39.22 2kax n TYR 19 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2kax n SER 20 N -3.32 -0.24 0.00 7.72 2.88 0.70 -4.56 113.62 116.80 2kax n SER 20 Ca 0.00 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 2kax n SER 20 Cb 0.00 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2kax n SER 20 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kax n GLY 21 N 6.04 1.04 4.53 0.46 0.00 -1.20 -4.45 105.19 111.61 2kax n GLY 21 Ca 0.63 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.18 0.00 -0.83 1.61 1.74 -1.26 -4.84 116.66 111.90 2kax n ARG 22 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 2kax n ARG 22 Cb 0.00 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 31.66 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 0.00 -3.00 0.12 5.56 -0.58 -1.26 -4.97 120.64 116.51 2kax n GLU 23 Ca 0.00 -1.47 0.12 0.00 -0.42 0.00 0.00 57.16 55.38 2kax n GLU 23 Cb 0.00 -1.42 0.48 0.00 -0.57 0.00 0.00 31.44 29.93 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 -3.84 -1.26 3.76 0.62 0.00 -1.26 -4.86 105.19 98.35 2kax n GLY 24 Ca 0.13 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 2kax n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kax s SER 25 N -4.15 -0.25 0.00 1.61 1.04 -1.26 -5.03 113.70 105.65 2kax s SER 25 Ca 0.04 -0.61 0.21 0.00 0.48 0.00 0.00 55.95 56.08 2kax s SER 25 Cb 0.09 0.69 1.24 0.00 0.10 0.00 0.00 66.02 68.14 2kax s SER 25 CO 0.39 -1.27 1.80 0.29 0.98 0.00 0.00 173.24 175.43 2kax n LYS 26 N -0.43 1.03 0.00 4.02 5.02 -1.26 -3.21 118.16 123.33 2kax n LYS 26 Ca -0.05 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2kax n LYS 26 Cb 0.60 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.78 0.66 -4.33 -0.35 4.77 -1.26 -4.87 117.00 110.84 2kax n LEU 27 Ca 0.16 -0.69 -0.17 0.00 -0.03 0.00 0.00 56.01 55.28 2kax n LEU 27 Cb 0.08 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 2kax n LEU 27 CO 0.12 0.16 -0.40 0.42 -1.33 0.00 0.00 177.39 176.36 2kax s THR 28 N -0.06 1.45 0.24 -5.08 -4.23 -1.22 -3.70 115.64 103.05 2kax s THR 28 Ca 0.00 -2.13 -0.21 0.00 -1.18 0.00 0.00 61.69 58.17 2kax s THR 28 Cb 0.00 -2.09 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2kax s THR 28 CO 0.00 -0.55 0.67 -1.48 -0.54 0.00 0.00 174.62 172.71 2kax s LEU 29 N -3.29 -0.28 0.47 4.79 2.34 -0.67 -4.15 118.68 117.88 2kax s LEU 29 Ca 0.23 -0.47 -0.22 0.00 0.06 0.00 0.00 54.13 53.72 2kax s LEU 29 Cb 0.02 2.62 -0.07 0.00 -0.56 0.00 0.00 46.19 48.19 2kax s LEU 29 CO 0.06 -1.23 1.13 -0.94 -1.06 0.00 0.00 176.35 174.31 2kax s SER 30 N -2.88 6.17 0.55 1.48 1.04 -1.26 -0.70 113.70 118.09 2kax s SER 30 Ca 0.09 2.22 0.22 0.00 0.48 0.00 0.00 55.95 58.96 2kax s SER 30 Cb -0.04 -2.59 1.47 0.00 0.10 0.00 0.00 66.02 64.96 2kax s SER 30 CO 0.02 -0.91 2.17 -0.09 0.98 0.00 0.00 173.24 175.40 2kax h ARG 31 N 1.90 0.00 0.35 4.02 2.43 -0.69 0.92 114.38 123.31 2kax h ARG 31 Ca -0.49 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2kax h ARG 31 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2kax h ARG 31 CO 0.60 0.00 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.67 2kax h LYS 32 N 0.00 -0.45 -0.44 0.20 3.64 -1.34 -3.00 116.57 115.17 2kax h LYS 32 Ca 0.02 0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2kax h LYS 32 Cb 0.09 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2kax h LYS 32 CO -0.00 -0.23 -0.22 1.49 -2.27 0.00 0.00 179.45 178.23 2kax h GLU 33 N -0.60 0.93 -0.64 1.90 4.81 -1.54 -2.80 114.58 116.65 2kax h GLU 33 Ca -0.05 -0.41 0.06 0.00 -0.13 0.00 0.00 59.36 58.83 2kax h GLU 33 Cb 0.44 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 2kax h GLU 33 CO 0.08 1.07 0.35 1.25 -0.73 0.00 0.00 179.01 181.03 2kax h LEU 34 N 0.77 0.52 -0.51 1.64 5.85 -0.99 0.01 115.31 122.60 2kax h LEU 34 Ca 0.10 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2kax h LEU 34 Cb 0.79 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 2kax h LEU 34 CO 0.07 0.34 0.22 0.50 -0.34 0.00 0.00 178.44 179.22 2kax h LYS 35 N 0.65 0.41 0.17 1.25 3.64 -1.45 -2.66 116.57 118.58 2kax h LYS 35 Ca 0.29 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2kax h LYS 35 Cb 0.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2kax h LYS 35 CO -0.18 0.27 -0.17 1.49 -2.27 0.00 0.00 179.45 178.60 2kax h GLU 36 N 0.42 -0.35 -0.97 1.90 4.57 -1.04 -3.14 114.58 115.97 2kax h GLU 36 Ca 0.24 0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.64 2kax h GLU 36 Cb 0.22 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.80 2kax h GLU 36 CO -0.21 -0.23 0.61 1.25 -1.18 0.00 0.00 179.01 179.25 2kax h LEU 37 N -0.36 0.63 -1.34 1.64 5.85 -0.70 0.90 115.31 121.93 2kax h LEU 37 Ca 0.00 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2kax h LEU 37 Cb 0.34 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2kax h LEU 37 CO -0.04 0.23 -0.28 0.40 -0.34 0.00 0.00 178.44 178.41 2kax h ILE 38 N 0.62 0.85 -0.27 4.05 2.04 -1.43 0.54 117.51 123.90 2kax h ILE 38 Ca 0.54 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2kax h ILE 38 Cb 1.02 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2kax h ILE 38 CO -0.29 0.27 0.00 0.29 0.00 0.00 0.00 178.15 178.42 2kax n LYS 39 N -3.70 1.69 -0.05 2.37 4.01 0.29 -3.15 118.16 119.63 2kax n LYS 39 Ca -0.01 -1.07 -0.12 0.00 -0.51 0.00 0.00 58.31 56.60 2kax n LYS 39 Cb 0.39 -1.27 -0.04 0.00 -0.51 0.00 0.00 35.03 33.60 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 0.35 0.26 0.09 1.97 4.76 -0.22 -4.81 118.16 120.55 2kax n LYS 40 Ca 0.11 0.11 0.11 0.00 -2.87 0.00 0.00 58.31 55.78 2kax n LYS 40 Cb 0.27 -0.95 -0.00 0.00 -1.84 0.00 0.00 35.03 32.50 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 -3.65 0.57 -4.06 1.97 -0.58 0.01 -4.73 120.64 110.17 2kax n GLU 41 Ca -0.21 0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.39 2kax n GLU 41 Cb 0.59 -1.77 -0.04 0.00 -0.57 0.00 0.00 31.44 29.64 2kax n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kax s LEU 42 N -5.11 3.83 -0.27 -4.62 2.01 -1.19 -5.07 118.68 108.26 2kax s LEU 42 Ca -0.00 -0.25 -0.10 0.00 0.01 0.00 0.00 54.13 53.78 2kax s LEU 42 Cb 0.11 -2.38 -0.05 0.00 0.01 0.00 0.00 46.19 43.88 2kax s LEU 42 CO 0.80 -0.08 0.17 0.00 1.01 0.00 0.00 176.35 178.25 2kax s LEU 44 N 1.66 -0.58 0.00 0.00 1.43 -1.26 -4.86 118.68 115.07 2kax s LEU 44 Ca 0.07 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2kax s LEU 44 Cb -0.16 0.90 0.00 0.00 0.03 0.00 0.00 46.19 46.96 2kax s LEU 44 CO 0.09 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.93 2kax n GLY 45 N 5.34 0.00 0.00 -3.19 0.00 -1.25 -4.89 105.19 101.20 2kax n GLY 45 Ca -0.01 0.00 0.00 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 0.00 0.00 0.02 1.61 -0.00 -1.26 -4.88 120.64 116.13 2kax n GLU 46 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.09 2kax n GLU 46 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 31.44 31.31 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 0.00 -3.46 3.44 2.86 -1.95 -3.48 114.93 112.34 2kax h MET 47 Ca 0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 2kax h MET 47 Cb 0.00 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 31.38 2kax h MET 47 CO 0.00 0.68 -0.62 0.15 1.06 0.00 0.00 176.91 178.18 2kax s LYS 48 N -2.66 0.09 0.00 1.72 -0.14 -1.26 -5.10 119.74 112.39 2kax s LYS 48 Ca -0.02 0.18 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 2kax s LYS 48 Cb 0.09 -0.01 0.00 0.00 -1.68 0.00 0.00 37.83 36.22 2kax s LYS 48 CO 0.82 -0.05 0.00 0.39 -0.76 0.00 0.00 175.35 175.75 2kax n GLU 49 N 3.34 0.00 -0.94 1.68 1.02 -1.26 -3.88 120.64 120.60 2kax n GLU 49 Ca -0.16 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.69 2kax n GLU 49 Cb 0.57 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.18 2kax n GLU 49 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kax s SER 50 N -0.67 2.28 0.00 1.62 0.15 -1.26 -1.29 113.70 114.54 2kax s SER 50 Ca 0.00 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.09 2kax s SER 50 Cb 0.00 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2kax s SER 50 CO 0.00 -3.38 0.00 -1.20 1.20 0.00 0.00 173.24 169.86 2kax n SER 51 N -4.36 0.00 -0.11 5.45 7.64 -1.26 -4.52 113.62 116.46 2kax n SER 51 Ca 0.05 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.73 2kax n SER 51 Cb 0.55 -0.86 -0.07 0.00 -1.01 0.00 0.00 64.21 62.82 2kax n SER 51 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2kax n ILE 52 N -1.59 1.43 0.27 0.44 -6.64 -1.18 -4.52 119.36 107.57 2kax n ILE 52 Ca 0.00 -0.17 0.15 0.00 -1.77 0.00 0.00 62.75 60.96 2kax n ILE 52 Cb 0.00 -2.01 0.67 0.00 -1.44 0.00 0.00 39.64 36.86 2kax n ILE 52 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 2kax h ASP 53 N -0.92 0.00 -0.51 7.28 3.32 -1.42 -0.19 116.42 123.98 2kax h ASP 53 Ca -0.42 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 2kax h ASP 53 Cb 1.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.87 2kax h ASP 53 CO -0.25 0.06 0.16 -0.78 -1.72 0.00 0.00 179.24 176.71 2kax h ASP 54 N 0.00 0.73 -0.30 6.45 3.58 -1.85 -0.80 116.42 124.23 2kax h ASP 54 Ca -0.00 -0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.20 2kax h ASP 54 Cb 0.53 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2kax h ASP 54 CO 0.01 0.74 0.01 -0.07 -2.88 0.00 0.00 179.24 177.05 2kax h LEU 55 N 0.69 0.51 -1.04 2.28 3.38 -1.31 -1.63 115.31 118.19 2kax h LEU 55 Ca 0.16 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2kax h LEU 55 Cb 0.27 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2kax h LEU 55 CO -0.01 0.69 0.64 0.24 0.09 0.00 0.00 178.44 180.09 2kax h MET 56 N 0.32 1.12 -0.26 1.13 2.86 -1.19 -1.78 114.93 117.14 2kax h MET 56 Ca 0.09 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 2kax h MET 56 Cb 0.42 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2kax h MET 56 CO 0.01 0.74 -0.26 -0.22 1.06 0.00 0.00 176.91 178.25 2kax h LYS 57 N 1.15 0.49 0.00 1.72 1.63 -0.97 -2.36 116.57 118.24 2kax h LYS 57 Ca 0.42 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 2kax h LYS 57 Cb 0.16 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2kax h LYS 57 CO -0.16 0.71 -0.03 1.03 -3.45 0.00 0.00 179.45 177.54 2kax h SER 58 N 0.43 0.00 0.08 4.20 0.87 -0.41 -0.55 113.55 118.17 2kax h SER 58 Ca 0.06 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 2kax h SER 58 Cb 0.68 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2kax h SER 58 CO 0.05 0.03 -0.64 -0.07 -0.53 0.00 0.00 176.83 175.67 2kax h LEU 59 N 0.00 0.26 -2.24 2.23 3.38 -1.14 -3.31 115.31 114.49 2kax h LEU 59 Ca -0.00 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 57.09 2kax h LEU 59 Cb 0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2kax h LEU 59 CO 0.00 1.29 0.16 0.44 0.09 0.00 0.00 178.44 180.43 2kax h ASP 60 N -0.63 0.00 -0.48 -0.43 3.32 -1.24 0.94 116.42 117.90 2kax h ASP 60 Ca -0.13 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.95 2kax h ASP 60 Cb 1.41 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.93 2kax h ASP 60 CO 0.06 0.00 0.32 0.50 -1.72 0.00 0.00 179.24 178.40 2kax h LYS 61 N 0.00 0.52 0.00 3.56 3.11 -1.18 -3.40 116.57 119.18 2kax h LYS 61 Ca 0.07 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2kax h LYS 61 Cb 0.40 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2kax h LYS 61 CO -0.00 0.35 -0.02 0.09 -2.81 0.00 0.00 179.45 177.05 2kax n ASN 62 N -4.47 0.08 0.00 4.20 3.02 -0.38 -5.01 115.26 112.70 2kax n ASN 62 Ca 0.05 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2kax n ASN 62 Cb 0.15 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.57 0.00 -2.02 6.41 3.41 0.19 -4.57 113.62 114.45 2kax n SER 63 Ca -0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.38 2kax n SER 63 Cb 0.01 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.02 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 2.59 6.58 -3.99 4.04 8.00 -1.26 -1.05 116.55 131.47 2kax n ASP 64 Ca 0.00 -3.29 -0.15 0.00 0.71 0.00 0.00 54.79 52.06 2kax n ASP 64 Cb 0.00 -1.00 -0.13 0.00 -0.02 0.00 0.00 41.12 39.96 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 -2.49 0.43 0.45 -1.24 -1.52 -1.26 -5.02 119.66 109.01 2kax s GLN 65 Ca 0.42 -0.37 -0.21 0.00 -1.95 0.00 0.00 55.36 53.26 2kax s GLN 65 Cb 0.33 -0.34 -0.10 0.00 -0.22 0.00 0.00 33.01 32.68 2kax s GLN 65 CO 0.00 0.08 0.98 -1.21 -0.25 0.00 0.00 175.29 174.89 2kax s GLU 66 N -0.61 4.10 0.18 2.91 2.02 -1.26 -0.45 118.70 125.58 2kax s GLU 66 Ca -0.02 1.19 0.03 0.00 0.02 0.00 0.00 54.97 56.19 2kax s GLU 66 Cb -0.05 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 2kax s GLU 66 CO -0.00 -0.15 -0.03 0.96 0.02 0.00 0.00 175.26 176.06 2kax s ILE 67 N -2.12 0.90 0.56 -1.63 -4.36 0.12 -4.83 121.20 109.84 2kax s ILE 67 Ca 0.64 -2.01 0.08 0.00 -0.26 0.00 0.00 60.65 59.09 2kax s ILE 67 Cb -0.11 -2.09 0.10 0.00 1.25 0.00 0.00 42.46 41.60 2kax s ILE 67 CO 0.15 -0.52 0.77 -0.90 0.24 0.00 0.00 174.94 174.69 2kax n ASP 68 N -0.27 1.91 0.31 4.36 5.75 -1.26 -1.67 116.55 125.68 2kax n ASP 68 Ca -0.07 -2.40 0.18 0.00 -0.01 0.00 0.00 54.79 52.49 2kax n ASP 68 Cb 0.63 -0.42 1.03 0.00 -1.03 0.00 0.00 41.12 41.33 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 0.02 0.00 0.09 2.11 3.57 -1.99 -2.31 116.94 118.43 2kax h PHE 69 Ca -0.26 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 60.92 2kax h PHE 69 Cb 1.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2kax h PHE 69 CO 0.00 0.01 -1.71 -0.22 -2.23 0.00 0.00 178.31 174.16 2kax h LYS 70 N 0.00 0.19 -0.91 1.11 3.64 -1.95 -0.61 116.57 118.04 2kax h LYS 70 Ca -0.00 -0.33 0.16 0.00 -1.27 0.00 0.00 60.65 59.22 2kax h LYS 70 Cb 0.05 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 31.89 2kax h LYS 70 CO 0.00 1.16 0.50 0.93 -2.27 0.00 0.00 179.45 179.77 2kax h GLU 71 N -0.28 0.65 -0.56 1.90 4.39 -1.96 -0.25 114.58 118.47 2kax h GLU 71 Ca -0.39 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 2kax h GLU 71 Cb 1.79 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 30.27 2kax h GLU 71 CO 0.00 0.43 0.16 -0.92 -1.16 0.00 0.00 179.01 177.52 2kax h TYR 72 N 0.67 0.91 -0.79 4.33 3.20 -1.45 -1.86 116.97 121.98 2kax h TYR 72 Ca 0.51 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 62.24 2kax h TYR 72 Cb 0.75 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.73 2kax h TYR 72 CO -0.06 0.78 0.33 0.66 -1.64 0.00 0.00 178.16 178.23 2kax h SER 73 N 0.78 1.08 0.65 -2.11 4.64 0.03 0.83 113.55 119.45 2kax h SER 73 Ca 0.18 -0.16 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 2kax h SER 73 Cb 0.31 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2kax h SER 73 CO -0.00 0.94 -0.66 -0.37 -0.87 0.00 0.00 176.83 175.87 2kax h VAL 74 N 1.15 1.47 -0.03 0.95 -1.51 -1.03 -0.58 116.25 116.67 2kax h VAL 74 Ca 0.27 -2.25 -0.06 0.00 -1.23 0.00 0.00 66.70 63.43 2kax h VAL 74 Cb 0.19 2.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2kax h VAL 74 CO -0.02 0.65 -0.20 0.15 -1.23 0.00 0.00 177.57 176.91 2kax h PHE 75 N 0.01 0.26 -0.39 5.19 3.04 -0.99 0.04 116.94 124.09 2kax h PHE 75 Ca -0.01 -0.12 0.02 0.00 3.98 0.00 0.00 57.97 61.85 2kax h PHE 75 Cb 1.17 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.62 2kax h PHE 75 CO 0.00 0.84 0.26 -0.07 -2.02 0.00 0.00 178.31 177.32 2kax h LEU 76 N -0.40 0.38 0.01 0.59 3.38 -0.86 0.14 115.31 118.56 2kax h LEU 76 Ca -0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2kax h LEU 76 Cb 0.87 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.54 2kax h LEU 76 CO 0.04 0.27 -0.29 0.74 0.09 0.00 0.00 178.44 179.29 2kax h THR 77 N 0.44 1.57 -0.85 0.22 2.02 -1.10 -0.70 112.91 114.51 2kax h THR 77 Ca 0.15 -2.06 0.10 0.00 0.77 0.00 0.00 66.41 65.37 2kax h THR 77 Cb 0.07 2.89 -0.06 0.00 -1.74 0.00 0.00 68.15 69.31 2kax h THR 77 CO -0.04 0.56 0.55 -0.03 0.37 0.00 0.00 175.52 176.94 2kax h MET 78 N -0.54 0.76 -0.37 6.66 1.85 -0.83 -0.25 114.93 122.21 2kax h MET 78 Ca -0.04 -0.05 -0.16 0.00 -0.61 0.00 0.00 59.70 58.85 2kax h MET 78 Cb 1.08 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.93 2kax h MET 78 CO 0.06 0.51 -0.38 1.25 -0.40 0.00 0.00 176.91 177.94 2kax h LEU 79 N 0.79 0.99 -0.42 3.39 5.85 -0.77 -2.79 115.31 122.34 2kax h LEU 79 Ca 0.40 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2kax h LEU 79 Cb 0.47 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2kax h LEU 79 CO -0.17 1.25 0.14 0.00 -0.34 0.00 0.00 178.44 179.33 2kax n MET 81 N -4.59 0.73 0.00 0.00 -0.00 -0.20 -2.69 117.12 110.37 2kax n MET 81 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.70 57.82 2kax n MET 81 Cb 0.17 -1.02 0.24 0.00 -0.00 0.00 0.00 33.22 32.60 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 -0.52 3.53 -3.18 3.17 0.00 -0.75 -4.89 120.51 117.86 2kax n ALA 82 Ca 0.01 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.15 2kax n ALA 82 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 2kax n ALA 82 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2kax s TYR 83 N -3.01 -0.38 -0.18 0.00 1.13 -1.10 -4.85 117.35 108.96 2kax s TYR 83 Ca 0.11 0.45 0.06 0.00 -1.41 0.00 0.00 57.07 56.28 2kax s TYR 83 Cb 0.17 0.15 0.19 0.00 -1.10 0.00 0.00 41.96 41.38 2kax s TYR 83 CO 0.71 -0.20 1.02 0.27 -2.51 0.00 0.00 175.55 174.83 2kax n ASN 84 N 5.32 -0.79 0.26 -0.18 6.94 -1.26 -4.86 115.26 120.68 2kax n ASN 84 Ca -0.08 -1.62 0.17 0.00 -0.02 0.00 0.00 54.58 53.04 2kax n ASN 84 Cb 0.54 0.41 0.92 0.00 -2.36 0.00 0.00 39.78 39.30 2kax n ASN 84 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2kax h ASP 85 N 0.60 0.00 1.06 0.53 5.19 -1.99 -1.54 116.42 120.27 2kax h ASP 85 Ca -0.24 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.13 2kax h ASP 85 Cb 1.16 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2kax h ASP 85 CO -0.10 0.00 -0.15 0.15 -3.12 0.00 0.00 179.24 176.02 2kax h PHE 86 N 0.00 0.00 -0.01 4.55 3.57 -2.03 -3.30 116.94 119.71 2kax h PHE 86 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kax h PHE 86 Cb 0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2kax h PHE 86 CO 0.00 0.15 -0.12 1.19 -2.23 0.00 0.00 178.31 177.30 2kax n PHE 87 N -3.27 0.00 -0.65 0.41 3.72 -0.58 -5.10 117.46 111.99 2kax n PHE 87 Ca 0.01 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 2kax n PHE 87 Cb 0.41 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.98 2kax n PHE 87 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 2kax n LEU 88 N 0.12 -3.87 -0.04 4.37 -0.00 -1.25 -5.01 117.00 111.32 2kax n LEU 88 Ca 0.05 0.11 -0.01 0.00 -0.00 0.00 0.00 56.01 56.16 2kax n LEU 88 Cb 0.23 -0.49 -0.00 0.00 -0.00 0.00 0.00 43.42 43.16 2kax n LEU 88 CO 0.10 -3.86 -0.08 -0.33 -0.00 0.00 0.00 177.39 173.22 2kax h GLU 89 N -0.65 0.00 -0.58 1.47 3.07 -1.94 -3.48 114.58 112.48 2kax h GLU 89 Ca -0.28 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.47 2kax h GLU 89 Cb 0.85 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.71 2kax h GLU 89 CO 0.15 0.00 -0.10 -3.47 -1.40 0.00 0.00 179.01 174.19 2kax n ASP 90 N -4.04 -3.57 -1.80 1.42 2.03 -1.26 -1.28 116.55 108.05 2kax n ASP 90 Ca -0.02 0.13 -0.18 0.00 0.52 0.00 0.00 54.79 55.25 2kax n ASP 90 Cb 0.06 -2.70 -0.05 0.00 -0.72 0.00 0.00 41.12 37.70 2kax n ASP 90 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kax n ASN 91 N 0.12 -4.86 -0.68 1.67 4.05 -1.26 -5.36 115.26 108.93 2kax n ASN 91 Ca -0.05 0.32 0.09 0.00 0.45 0.00 0.00 54.58 55.38 2kax n ASN 91 Cb 0.36 -4.26 0.07 0.00 1.23 0.00 0.00 39.78 37.17 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50