#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 -5.28 -4.56 3.17 4.71 -1.26 -4.98 120.64 112.44 2kax n GLU 2 Ca 0.00 0.67 -0.26 0.00 -0.01 0.00 0.00 57.16 57.56 2kax n GLU 2 Cb 0.00 -5.32 -0.10 0.00 -1.01 0.00 0.00 31.44 25.00 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 -3.60 1.48 0.08 2.62 -4.23 -1.26 -5.09 115.64 105.64 2kax s THR 3 Ca 0.02 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 2kax s THR 3 Cb -0.01 -2.78 -0.19 0.00 1.34 0.00 0.00 72.50 70.86 2kax s THR 3 CO 0.80 0.00 1.24 1.55 -0.54 0.00 0.00 174.62 177.67 2kax h PRO 4 N 1.86 0.71 0.00 3.99 0.13 -2.03 -3.17 132.00 133.49 2kax h PRO 4 Ca -0.42 -0.65 -0.04 0.00 -0.87 0.00 0.00 66.00 64.02 2kax h PRO 4 Cb 1.25 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 2kax h PRO 4 CO 0.74 1.25 -0.19 1.25 -0.23 0.00 0.00 178.00 180.82 2kax h LEU 5 N 0.40 0.00 -1.70 1.56 7.12 -2.01 -1.46 115.31 119.21 2kax h LEU 5 Ca -0.08 0.00 0.26 0.00 0.13 0.00 0.00 57.88 58.20 2kax h LEU 5 Cb 1.47 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.54 2kax h LEU 5 CO 0.17 0.19 0.68 -0.08 -0.13 0.00 0.00 178.44 179.27 2kax h GLU 6 N 0.00 0.20 0.00 1.25 4.57 -1.97 0.15 114.58 118.79 2kax h GLU 6 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2kax h GLU 6 Cb 0.51 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2kax h GLU 6 CO 0.02 0.13 0.00 0.87 -1.18 0.00 0.00 179.01 178.86 2kax h LYS 7 N 0.21 0.00 0.00 1.92 1.79 -1.40 0.13 116.57 119.22 2kax h LYS 7 Ca 0.51 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.94 2kax h LYS 7 Cb 1.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.28 2kax h LYS 7 CO -0.13 0.00 -0.46 0.00 -1.08 0.00 0.00 179.45 177.78 2kax h ALA 8 N 2.27 0.05 0.15 3.86 0.00 -0.91 -3.37 119.26 121.31 2kax h ALA 8 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2kax h ALA 8 Cb 0.46 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kax h ALA 8 CO 0.00 0.35 -0.07 -0.07 0.00 0.00 0.00 179.25 179.46 2kax h LEU 9 N -1.00 -0.17 -0.62 0.00 -0.00 -1.01 0.71 115.31 113.23 2kax h LEU 9 Ca -0.07 -0.04 0.12 0.00 -0.00 0.00 0.00 57.88 57.89 2kax h LEU 9 Cb 0.59 0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 41.20 2kax h LEU 9 CO -0.04 -0.08 0.13 0.74 -0.00 0.00 0.00 178.44 179.19 2kax h THR 10 N -0.25 0.62 0.08 0.22 2.02 -1.00 0.75 112.91 115.35 2kax h THR 10 Ca -0.02 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2kax h THR 10 Cb 0.20 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2kax h THR 10 CO 0.03 0.05 -0.04 0.74 0.37 0.00 0.00 175.52 176.67 2kax h THR 11 N 0.25 0.95 -0.29 3.16 2.02 -1.64 -1.04 112.91 116.33 2kax h THR 11 Ca 0.33 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.45 2kax h THR 11 Cb 0.50 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2kax h THR 11 CO -0.42 0.02 0.17 0.24 0.37 0.00 0.00 175.52 175.89 2kax h MET 12 N -0.13 0.34 -0.36 6.66 2.07 -0.27 -0.94 114.93 122.29 2kax h MET 12 Ca -0.01 -0.02 -0.11 0.00 -2.07 0.00 0.00 59.70 57.48 2kax h MET 12 Cb 0.11 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.75 2kax h MET 12 CO 0.02 0.22 -0.24 -0.39 1.07 0.00 0.00 176.91 177.58 2kax h VAL 13 N 0.35 1.27 -0.30 -2.22 -1.51 -0.79 -1.16 116.25 111.88 2kax h VAL 13 Ca 0.12 -1.35 -0.13 0.00 -1.23 0.00 0.00 66.70 64.10 2kax h VAL 13 Cb 0.00 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2kax h VAL 13 CO -0.06 0.45 -0.33 0.74 -1.23 0.00 0.00 177.57 177.14 2kax h THR 14 N 0.62 1.29 -0.04 7.19 2.02 -1.02 -0.91 112.91 122.07 2kax h THR 14 Ca 0.08 -1.51 -0.13 0.00 0.77 0.00 0.00 66.41 65.63 2kax h THR 14 Cb 0.74 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2kax h THR 14 CO 0.06 0.49 -0.56 0.71 0.37 0.00 0.00 175.52 176.58 2kax h THR 15 N 0.52 1.39 -0.19 3.16 1.35 -1.16 -0.90 112.91 117.08 2kax h THR 15 Ca 0.04 -1.91 -0.06 0.00 -0.55 0.00 0.00 66.41 63.93 2kax h THR 15 Cb 0.92 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2kax h THR 15 CO 0.08 0.56 -0.11 0.15 -0.25 0.00 0.00 175.52 175.95 2kax h PHE 16 N 0.09 0.48 -0.13 4.73 3.04 -1.14 -3.18 116.94 120.83 2kax h PHE 16 Ca -0.00 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 2kax h PHE 16 Cb 1.02 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 2kax h PHE 16 CO 0.01 0.73 0.03 1.25 -2.02 0.00 0.00 178.31 178.30 2kax h HIS 17 N 0.10 0.17 -0.15 0.41 2.76 -1.07 -0.96 115.15 116.42 2kax h HIS 17 Ca 0.04 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.25 2kax h HIS 17 Cb 0.61 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2kax h HIS 17 CO 0.07 0.16 0.16 -0.22 -1.30 0.00 0.00 177.93 176.80 2kax h LYS 18 N 0.18 0.00 0.00 5.26 3.64 -1.14 -1.18 116.57 123.33 2kax h LYS 18 Ca 0.05 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2kax h LYS 18 Cb 0.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2kax h LYS 18 CO -0.00 0.00 -1.26 0.66 -2.27 0.00 0.00 179.45 176.57 2kax n TYR 19 N -3.86 0.00 -0.24 1.91 4.02 -1.02 -4.49 117.16 113.48 2kax n TYR 19 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2kax n TYR 19 Cb 0.27 -0.18 0.22 0.00 -0.02 0.00 0.00 39.34 39.63 2kax n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2kax h SER 20 N 0.00 0.91 0.00 7.72 4.64 -1.26 -2.21 113.55 123.35 2kax h SER 20 Ca -0.10 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2kax h SER 20 Cb 1.16 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2kax h SER 20 CO -0.02 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 2kax n GLY 21 N -1.41 -0.74 0.56 -0.77 0.00 -0.45 -1.37 105.19 101.02 2kax n GLY 21 Ca 0.09 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.95 2.24 -0.05 1.61 -4.01 -0.84 -4.71 116.66 109.95 2kax n ARG 22 Ca 0.16 -1.79 -0.07 0.00 -1.04 0.00 0.00 57.85 55.10 2kax n ARG 22 Cb 0.07 -1.24 -0.02 0.00 -3.04 0.00 0.00 32.46 28.23 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 0.51 0.37 0.00 2.89 1.02 -0.47 -5.08 120.64 119.87 2kax n GLU 23 Ca 0.10 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2kax n GLU 23 Cb 0.38 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kax n GLY 24 N 2.06 0.00 3.43 0.62 0.00 -0.50 -5.14 105.19 105.66 2kax n GLY 24 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2kax n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kax s SER 25 N 0.00 -0.55 0.00 1.61 0.15 -1.11 -5.05 113.70 108.75 2kax s SER 25 Ca 0.00 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2kax s SER 25 Cb 0.00 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2kax s SER 25 CO 0.00 -0.89 0.54 0.29 1.20 0.00 0.00 173.24 174.38 2kax n LYS 26 N -0.13 -0.11 0.00 5.44 5.02 -1.26 -2.87 118.16 124.24 2kax n LYS 26 Ca -0.17 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.48 2kax n LYS 26 Cb 0.63 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 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 -0.09 0.00 -4.38 -0.35 -0.00 -1.26 -4.74 117.00 106.18 2kax n LEU 27 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 2kax n LEU 27 Cb 0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.41 2kax n LEU 27 CO 0.00 0.00 -0.34 0.42 -0.00 0.00 0.00 177.39 177.47 2kax s THR 28 N -1.50 1.30 0.26 1.47 -4.23 -1.26 -3.19 115.64 108.49 2kax s THR 28 Ca 0.00 -2.07 -0.17 0.00 -1.18 0.00 0.00 61.69 58.27 2kax s THR 28 Cb 0.00 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.44 2kax s THR 28 CO 0.00 -0.30 0.58 -1.48 -0.54 0.00 0.00 174.62 172.88 2kax s LEU 29 N -3.37 0.05 0.53 4.79 2.34 -0.88 -4.54 118.68 117.60 2kax s LEU 29 Ca 0.29 -0.75 -0.19 0.00 0.06 0.00 0.00 54.13 53.54 2kax s LEU 29 Cb 0.05 2.21 -0.06 0.00 -0.56 0.00 0.00 46.19 47.83 2kax s LEU 29 CO 0.10 -1.22 1.09 -0.94 -1.06 0.00 0.00 176.35 174.32 2kax s SER 30 N -2.96 5.90 0.59 1.48 1.04 -1.26 0.13 113.70 118.62 2kax s SER 30 Ca 0.16 2.06 0.37 0.00 0.48 0.00 0.00 55.95 59.03 2kax s SER 30 Cb -0.03 -2.57 1.73 0.00 0.10 0.00 0.00 66.02 65.25 2kax s SER 30 CO 0.07 -1.09 2.12 -0.09 0.98 0.00 0.00 173.24 175.23 2kax h ARG 31 N 1.22 0.00 0.09 4.02 2.43 -0.80 -0.26 114.38 121.08 2kax h ARG 31 Ca -0.49 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 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 0.57 0.00 -0.04 0.87 -1.51 0.00 0.00 179.97 179.86 2kax h LYS 32 N 0.00 -0.11 -0.76 0.20 1.57 -1.22 -3.36 116.57 112.88 2kax h LYS 32 Ca 0.00 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2kax h LYS 32 Cb 0.34 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 2kax h LYS 32 CO 0.00 0.42 0.47 1.49 -0.57 0.00 0.00 179.45 181.26 2kax h GLU 33 N -0.83 0.86 -0.97 3.15 4.57 -1.65 -0.97 114.58 118.74 2kax h GLU 33 Ca -0.01 -0.05 0.28 0.00 -1.18 0.00 0.00 59.36 58.40 2kax h GLU 33 Cb 0.59 -0.19 -0.14 0.00 -0.16 0.00 0.00 28.75 28.84 2kax h GLU 33 CO 0.02 0.57 0.49 1.25 -1.18 0.00 0.00 179.01 180.16 2kax h LEU 34 N 0.89 0.42 -0.70 1.64 5.85 -1.26 -0.39 115.31 121.76 2kax h LEU 34 Ca 0.32 0.18 -0.11 0.00 0.84 0.00 0.00 57.88 59.11 2kax h LEU 34 Cb 0.09 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2kax h LEU 34 CO -0.14 -0.09 -0.14 0.50 -0.34 0.00 0.00 178.44 178.22 2kax h LYS 35 N 0.35 0.86 -0.23 1.25 3.11 -1.32 -0.76 116.57 119.83 2kax h LYS 35 Ca 0.67 -0.31 -0.08 0.00 -2.81 0.00 0.00 60.65 58.12 2kax h LYS 35 Cb 1.43 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.60 2kax h LYS 35 CO -0.59 0.95 -0.16 1.49 -2.81 0.00 0.00 179.45 178.33 2kax h GLU 36 N 0.76 0.51 -0.22 1.90 4.57 -1.24 -2.60 114.58 118.27 2kax h GLU 36 Ca 0.12 -0.24 0.06 0.00 -1.18 0.00 0.00 59.36 58.11 2kax h GLU 36 Cb 0.66 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.19 2kax h GLU 36 CO 0.05 0.81 -0.16 1.25 -1.18 0.00 0.00 179.01 179.77 2kax h LEU 37 N 0.22 -0.53 0.13 1.64 5.85 -0.93 -1.93 115.31 119.76 2kax h LEU 37 Ca 0.05 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2kax h LEU 37 Cb 0.68 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2kax h LEU 37 CO 0.04 -0.20 -0.06 0.40 -0.34 0.00 0.00 178.44 178.28 2kax h ILE 38 N -0.16 0.90 0.00 4.05 2.04 -1.17 -1.94 117.51 121.23 2kax h ILE 38 Ca 0.13 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2kax h ILE 38 Cb 0.35 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2kax h ILE 38 CO -0.32 0.02 0.00 0.29 0.00 0.00 0.00 178.15 178.14 2kax n LYS 39 N -5.15 0.13 -0.10 2.37 4.76 -0.98 -1.21 118.16 117.98 2kax n LYS 39 Ca -0.08 0.13 -0.23 0.00 -2.87 0.00 0.00 58.31 55.25 2kax n LYS 39 Cb 0.11 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.68 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 -1.41 0.63 0.10 1.97 4.01 -0.75 -4.73 118.16 117.99 2kax n LYS 40 Ca 0.07 0.33 0.12 0.00 -0.51 0.00 0.00 58.31 58.32 2kax n LYS 40 Cb 0.21 -1.62 0.01 0.00 -0.51 0.00 0.00 35.03 33.11 2kax n LYS 40 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2kax n GLU 41 N -3.94 0.58 -3.97 1.97 -0.58 -0.73 -4.72 120.64 109.25 2kax n GLU 41 Ca -0.41 0.11 -0.21 0.00 -0.42 0.00 0.00 57.16 56.23 2kax n GLU 41 Cb 0.88 -1.81 -0.03 0.00 -0.57 0.00 0.00 31.44 29.91 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 -5.26 3.93 0.00 -4.62 1.02 -0.35 -5.08 118.68 108.33 2kax s LEU 42 Ca -0.00 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 53.95 2kax s LEU 42 Cb 0.10 -2.50 0.00 0.00 0.02 0.00 0.00 46.19 43.81 2kax s LEU 42 CO 0.79 -0.13 0.00 0.00 0.02 0.00 0.00 176.35 177.03 2kax n LEU 44 N 0.00 -1.14 -0.68 0.00 4.77 -1.26 -4.80 117.00 113.90 2kax n LEU 44 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 2kax n LEU 44 Cb 0.00 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.74 2kax n LEU 44 CO 0.00 0.00 0.50 0.61 -1.33 0.00 0.00 177.39 177.17 2kax n GLY 45 N -0.80 0.31 0.38 -0.72 0.00 -1.26 -4.85 105.19 98.25 2kax n GLY 45 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.88 0.00 -3.09 1.61 0.00 -1.26 -5.02 120.64 113.77 2kax n GLU 46 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.84 2kax n GLU 46 Cb 0.44 -0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.81 2kax n GLU 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kax s MET 47 N -1.19 3.63 0.27 3.44 0.23 -1.26 -5.01 119.30 119.40 2kax s MET 47 Ca 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 55.69 54.69 2kax s MET 47 Cb 0.00 -3.83 0.00 0.00 -1.53 0.00 0.00 34.83 29.47 2kax s MET 47 CO 0.00 -0.80 0.00 1.63 -2.03 0.00 0.00 175.02 173.82 2kax n LYS 48 N 6.14 -2.16 -3.83 3.16 4.76 -1.26 -4.21 118.16 120.76 2kax n LYS 48 Ca -0.01 1.46 -0.09 0.00 -2.87 0.00 0.00 58.31 56.81 2kax n LYS 48 Cb 0.48 -2.63 0.02 0.00 -1.84 0.00 0.00 35.03 31.06 2kax n LYS 48 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2kax s GLU 49 N -2.08 2.19 0.00 1.97 4.04 -1.26 -4.74 118.70 118.82 2kax s GLU 49 Ca 0.00 -1.44 0.00 0.00 0.04 0.00 0.00 54.97 53.57 2kax s GLU 49 Cb 0.00 0.61 0.00 0.00 0.02 0.00 0.00 34.13 34.76 2kax s GLU 49 CO 0.00 -1.02 0.00 0.45 -1.84 0.00 0.00 175.26 172.85 2kax n SER 50 N -1.36 0.00 0.16 0.83 2.88 -1.26 -1.61 113.62 113.26 2kax n SER 50 Ca -0.07 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.59 2kax n SER 50 Cb 0.60 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.61 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 0.29 -3.46 0.87 -1.98 0.33 113.55 109.61 2kax h SER 51 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kax h SER 51 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kax h SER 51 CO 0.00 0.00 -0.73 2.30 -0.53 0.00 0.00 176.83 177.87 2kax n ILE 52 N -2.34 0.01 -0.09 2.23 -6.64 -0.63 -4.56 119.36 107.33 2kax n ILE 52 Ca 0.01 -0.01 -0.12 0.00 -1.77 0.00 0.00 62.75 60.86 2kax n ILE 52 Cb 0.20 0.55 -0.10 0.00 -1.44 0.00 0.00 39.64 38.85 2kax n ILE 52 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 2kax n ASP 53 N -1.52 2.07 -0.09 7.28 2.03 -0.37 -3.83 116.55 122.12 2kax n ASP 53 Ca 0.05 -0.08 -0.06 0.00 0.52 0.00 0.00 54.79 55.22 2kax n ASP 53 Cb 0.34 0.01 0.01 0.00 -0.72 0.00 0.00 41.12 40.76 2kax n ASP 53 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kax h ASP 54 N 0.00 -0.07 -0.99 1.67 3.58 -1.27 -1.31 116.42 118.04 2kax h ASP 54 Ca -0.44 0.07 0.13 0.00 0.42 0.00 0.00 57.03 57.20 2kax h ASP 54 Cb 1.77 0.11 -0.09 0.00 1.72 0.00 0.00 39.33 42.84 2kax h ASP 54 CO -0.04 0.00 0.61 -0.07 -2.88 0.00 0.00 179.24 176.86 2kax h LEU 55 N 0.14 0.88 -0.50 2.28 3.38 -1.80 0.87 115.31 120.56 2kax h LEU 55 Ca 0.16 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 2kax h LEU 55 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2kax h LEU 55 CO -0.24 0.45 -0.75 0.24 0.09 0.00 0.00 178.44 178.23 2kax h MET 56 N 0.94 0.06 -0.11 1.13 2.86 -1.53 -2.27 114.93 116.00 2kax h MET 56 Ca 0.50 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 58.00 2kax h MET 56 Cb 0.55 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2kax h MET 56 CO -0.28 0.77 -0.35 0.87 1.06 0.00 0.00 176.91 178.97 2kax h LYS 57 N 0.03 0.21 0.00 1.72 6.56 -0.36 -3.06 116.57 121.68 2kax h LYS 57 Ca -0.01 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.49 2kax h LYS 57 Cb 1.32 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 2kax h LYS 57 CO 0.10 0.55 0.00 1.03 -2.06 0.00 0.00 179.45 179.07 2kax h SER 58 N 0.19 0.00 0.05 0.86 0.87 -0.28 -1.13 113.55 114.11 2kax h SER 58 Ca 0.02 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.41 2kax h SER 58 Cb 0.72 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2kax h SER 58 CO 0.05 0.00 -0.86 -0.07 -0.53 0.00 0.00 176.83 175.43 2kax h LEU 59 N 0.00 0.17 -1.61 2.23 3.38 -1.48 -3.32 115.31 114.66 2kax h LEU 59 Ca 0.00 -0.82 0.24 0.00 0.09 0.00 0.00 57.88 57.39 2kax h LEU 59 Cb 0.44 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 2kax h LEU 59 CO 0.00 1.36 0.64 0.44 0.09 0.00 0.00 178.44 180.98 2kax h ASP 60 N -0.72 0.30 0.38 -0.43 5.19 -1.42 0.12 116.42 119.84 2kax h ASP 60 Ca -0.20 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2kax h ASP 60 Cb 1.39 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.88 2kax h ASP 60 CO -0.02 0.10 0.00 1.17 -3.12 0.00 0.00 179.24 177.37 2kax n LYS 61 N -4.46 0.11 0.00 3.56 4.81 -0.44 -4.04 118.16 117.69 2kax n LYS 61 Ca 0.21 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2kax n LYS 61 Cb 0.84 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 34.13 2kax n LYS 61 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kax n ASN 62 N -1.97 1.31 0.00 3.14 4.13 -0.60 -5.06 115.26 116.21 2kax n ASN 62 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2kax n ASN 62 Cb 0.13 0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 2kax n ASN 62 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2kax n SER 63 N -1.48 0.00 -2.19 6.41 7.64 0.33 -3.90 113.62 120.43 2kax n SER 63 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2kax n SER 63 Cb 0.15 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.53 2kax n SER 63 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kax n ASP 64 N 1.10 3.76 -4.43 6.43 8.00 -1.26 -0.80 116.55 129.35 2kax n ASP 64 Ca 0.00 -3.62 -0.22 0.00 0.71 0.00 0.00 54.79 51.66 2kax n ASP 64 Cb 0.00 -0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 40.17 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 -3.31 1.57 0.96 -1.24 -0.21 -1.25 -5.00 119.66 111.17 2kax s GLN 65 Ca 0.57 -1.72 -0.12 0.00 0.02 0.00 0.00 55.36 54.10 2kax s GLN 65 Cb 0.48 -1.52 0.16 0.00 1.00 0.00 0.00 33.01 33.13 2kax s GLN 65 CO 0.10 0.25 1.09 -1.21 -2.12 0.00 0.00 175.29 173.41 2kax s GLU 66 N -3.57 0.78 -0.00 2.91 2.02 -1.26 -0.57 118.70 119.00 2kax s GLU 66 Ca 0.28 0.66 0.01 0.00 0.02 0.00 0.00 54.97 55.94 2kax s GLU 66 Cb -0.03 -1.77 -0.00 0.00 0.10 0.00 0.00 34.13 32.44 2kax s GLU 66 CO 0.12 -2.53 -0.03 0.42 0.02 0.00 0.00 175.26 173.27 2kax s ILE 67 N -2.94 0.21 0.21 -1.63 1.01 0.12 -4.52 121.20 113.66 2kax s ILE 67 Ca 0.64 -0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.96 2kax s ILE 67 Cb -0.18 -0.19 -0.08 0.00 0.01 0.00 0.00 42.46 42.02 2kax s ILE 67 CO 0.57 0.04 0.70 -0.62 0.00 0.00 0.00 174.94 175.63 2kax s ASP 68 N -0.12 7.04 0.65 3.58 -1.08 -1.26 -2.07 116.67 123.40 2kax s ASP 68 Ca 0.00 1.38 0.21 0.00 -0.52 0.00 0.00 52.55 53.62 2kax s ASP 68 Cb -0.01 -2.40 1.05 0.00 -1.46 0.00 0.00 42.92 40.09 2kax s ASP 68 CO -0.00 0.05 1.58 0.15 0.52 0.00 0.00 175.17 177.47 2kax h PHE 69 N 3.49 0.00 -0.09 -5.34 3.57 -1.95 -0.25 116.94 116.37 2kax h PHE 69 Ca -0.48 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.96 2kax h PHE 69 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2kax h PHE 69 CO 0.64 0.00 -0.19 0.87 -2.23 0.00 0.00 178.31 177.40 2kax h LYS 70 N 0.00 0.29 -0.55 1.11 1.57 -1.94 -1.88 116.57 115.18 2kax h LYS 70 Ca 0.08 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2kax h LYS 70 Cb 1.36 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 2kax h LYS 70 CO -0.00 0.78 0.36 0.93 -0.57 0.00 0.00 179.45 180.96 2kax h GLU 71 N -0.16 0.49 -0.02 3.15 5.08 -1.44 -0.50 114.58 121.19 2kax h GLU 71 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2kax h GLU 71 Cb 0.77 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2kax h GLU 71 CO 0.04 0.32 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.41 2kax h TYR 72 N 0.50 0.07 -0.56 4.33 3.20 -1.47 -1.28 116.97 121.76 2kax h TYR 72 Ca 0.24 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2kax h TYR 72 Cb 0.29 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2kax h TYR 72 CO -0.00 0.64 0.07 0.66 -1.64 0.00 0.00 178.16 177.89 2kax h SER 73 N -0.52 0.87 0.27 -2.11 4.64 -0.99 -0.51 113.55 115.20 2kax h SER 73 Ca -0.00 -0.19 -0.16 0.00 -0.47 0.00 0.00 61.79 60.96 2kax h SER 73 Cb 0.64 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2kax h SER 73 CO 0.01 0.89 -0.64 -0.37 -0.87 0.00 0.00 176.83 175.85 2kax h VAL 74 N 0.86 1.37 -0.39 0.95 -1.51 -1.17 -0.84 116.25 115.52 2kax h VAL 74 Ca 0.17 -2.01 -0.09 0.00 -1.23 0.00 0.00 66.70 63.54 2kax h VAL 74 Cb 0.41 2.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.56 2kax h VAL 74 CO 0.01 0.60 -0.11 0.15 -1.23 0.00 0.00 177.57 176.99 2kax h PHE 75 N 0.26 0.87 -0.39 5.19 3.04 -0.93 0.16 116.94 125.12 2kax h PHE 75 Ca -0.01 -0.19 -0.02 0.00 3.98 0.00 0.00 57.97 61.72 2kax h PHE 75 Cb 1.18 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 2kax h PHE 75 CO 0.03 0.91 0.16 -0.07 -2.02 0.00 0.00 178.31 177.33 2kax h LEU 76 N 0.57 0.53 -0.84 0.59 3.38 -1.11 0.57 115.31 119.01 2kax h LEU 76 Ca 0.10 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2kax h LEU 76 Cb 0.64 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2kax h LEU 76 CO 0.04 0.54 0.54 0.74 0.09 0.00 0.00 178.44 180.40 2kax h THR 77 N 0.49 1.13 -0.45 0.22 2.02 -1.07 0.10 112.91 115.35 2kax h THR 77 Ca 0.13 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 2kax h THR 77 Cb 0.17 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 2kax h THR 77 CO -0.01 0.19 -0.07 -0.03 0.37 0.00 0.00 175.52 175.97 2kax h MET 78 N 1.05 0.84 -0.39 6.66 1.85 -0.39 -2.57 114.93 121.98 2kax h MET 78 Ca 0.34 -0.31 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 2kax h MET 78 Cb 0.01 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 31.96 2kax h MET 78 CO -0.12 0.93 0.20 1.25 -0.40 0.00 0.00 176.91 178.77 2kax h LEU 79 N 0.68 0.51 0.00 3.39 5.85 -0.57 0.75 115.31 125.93 2kax h LEU 79 Ca 0.12 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kax h LEU 79 Cb 0.60 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2kax h LEU 79 CO 0.04 0.48 0.00 0.00 -0.34 0.00 0.00 178.44 178.62 2kax n MET 81 N -0.85 1.01 0.00 0.00 0.00 -0.61 -4.62 117.12 112.06 2kax n MET 81 Ca 0.05 -1.08 0.15 0.00 -0.00 0.00 0.00 57.70 56.82 2kax n MET 81 Cb 0.02 -0.75 0.81 0.00 0.00 0.00 0.00 33.22 33.31 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 -0.29 2.63 -3.59 -5.12 0.00 0.16 -4.85 120.51 109.45 2kax n ALA 82 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 2kax n ALA 82 Cb 0.47 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.25 -0.35 0.00 0.00 -0.85 -1.25 -4.90 117.35 107.75 2kax s TYR 83 Ca 0.38 0.62 0.00 0.00 -0.52 0.00 0.00 57.07 57.55 2kax s TYR 83 Cb 0.21 0.45 0.00 0.00 0.38 0.00 0.00 41.96 43.00 2kax s TYR 83 CO 0.41 -0.31 0.00 0.27 -1.52 0.00 0.00 175.55 174.40 2kax n ASN 84 N 0.80 0.00 -0.28 -0.18 0.23 -1.26 -4.68 115.26 109.89 2kax n ASN 84 Ca -0.10 0.00 0.23 0.00 -0.53 0.00 0.00 54.58 54.18 2kax n ASN 84 Cb 0.58 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.83 2kax n ASN 84 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2kax h ASP 85 N 0.00 0.34 -0.05 0.53 5.19 -1.97 -1.25 116.42 119.21 2kax h ASP 85 Ca 0.00 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.47 2kax h ASP 85 Cb 0.00 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 2kax h ASP 85 CO 0.00 0.10 0.12 -0.26 -3.12 0.00 0.00 179.24 176.08 2kax h PHE 86 N 0.32 0.00 -0.19 4.55 0.04 -1.97 -1.72 116.94 117.97 2kax h PHE 86 Ca 0.52 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.29 2kax h PHE 86 Cb 1.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.61 2kax h PHE 86 CO -0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 2kax n PHE 87 N -3.33 0.23 -3.98 -0.55 3.72 -0.47 -4.92 117.46 108.17 2kax n PHE 87 Ca -0.02 -0.12 -0.22 0.00 -0.05 0.00 0.00 57.45 57.05 2kax n PHE 87 Cb 0.20 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.73 4.28 0.20 4.37 2.01 -0.65 -5.05 118.68 122.12 2kax s LEU 88 Ca 0.32 0.06 0.06 0.00 0.01 0.00 0.00 54.13 54.58 2kax s LEU 88 Cb 0.21 -2.82 0.11 0.00 0.01 0.00 0.00 46.19 43.70 2kax s LEU 88 CO 0.30 -0.05 1.46 -0.33 1.01 0.00 0.00 176.35 178.75 2kax h GLU 89 N 1.36 0.10 0.00 1.70 3.07 -1.91 -3.49 114.58 115.42 2kax h GLU 89 Ca -0.51 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.25 2kax h GLU 89 Cb 1.22 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2kax h GLU 89 CO 0.62 0.83 0.00 -0.40 -1.40 0.00 0.00 179.01 178.66 2kax n ASP 90 N -3.68 0.00 -3.78 1.42 5.75 -1.26 -5.08 116.55 109.92 2kax n ASP 90 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.34 2kax n ASP 90 Cb 0.74 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.79 2kax n ASP 90 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kax n ASN 91 N 0.00 2.98 -0.82 -1.12 4.05 -1.26 -5.07 115.26 114.01 2kax n ASN 91 Ca 0.00 -2.73 0.10 0.00 0.45 0.00 0.00 54.58 52.41 2kax n ASN 91 Cb 0.00 -1.32 0.09 0.00 1.23 0.00 0.00 39.78 39.77 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50