#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 4.00 0.43 0.03 8.01 -1.26 -5.02 118.70 124.90 2kax s GLU 2 Ca 0.00 -3.16 -0.24 0.00 0.01 0.00 0.00 54.97 51.59 2kax s GLU 2 Cb 0.00 -4.45 -0.08 0.00 -4.31 0.00 0.00 34.13 25.29 2kax s GLU 2 CO 0.00 -1.25 1.14 0.95 0.01 0.00 0.00 175.26 176.11 2kax s THR 3 N -1.14 3.27 0.21 3.63 -4.23 -1.26 -4.96 115.64 111.15 2kax s THR 3 Ca 0.29 0.98 -0.03 0.00 -1.18 0.00 0.00 61.69 61.75 2kax s THR 3 Cb -0.10 -3.51 -0.02 0.00 1.34 0.00 0.00 72.50 70.22 2kax s THR 3 CO -0.09 0.01 1.56 1.55 -0.54 0.00 0.00 174.62 177.11 2kax h PRO 4 N 2.26 0.60 -0.17 3.99 0.13 -2.00 -2.77 132.00 134.04 2kax h PRO 4 Ca -0.49 -0.32 -0.15 0.00 -0.87 0.00 0.00 66.00 64.17 2kax h PRO 4 Cb 1.24 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kax h PRO 4 CO 0.61 0.92 -0.52 1.25 -0.23 0.00 0.00 178.00 180.03 2kax h LEU 5 N 0.49 0.53 -1.74 1.56 6.46 -2.01 -1.99 115.31 118.61 2kax h LEU 5 Ca 0.03 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 2kax h LEU 5 Cb 0.96 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 2kax h LEU 5 CO 0.09 0.95 0.17 -0.08 -0.62 0.00 0.00 178.44 178.95 2kax h GLU 6 N 0.37 0.35 -0.46 1.25 4.57 -1.95 0.12 114.58 118.83 2kax h GLU 6 Ca 0.01 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 2kax h GLU 6 Cb 1.04 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 2kax h GLU 6 CO 0.09 0.23 0.32 0.87 -1.18 0.00 0.00 179.01 179.34 2kax h LYS 7 N 0.36 0.15 0.22 1.92 1.79 -1.06 0.25 116.57 120.20 2kax h LYS 7 Ca 0.10 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2kax h LYS 7 Cb -0.04 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2kax h LYS 7 CO -0.02 0.10 -0.10 0.00 -1.08 0.00 0.00 179.45 178.34 2kax h ALA 8 N 1.77 -0.29 0.17 3.86 0.00 -0.71 -1.55 119.26 122.51 2kax h ALA 8 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kax h ALA 8 Cb 0.64 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kax h ALA 8 CO -0.03 -0.46 -0.16 -0.07 0.00 0.00 0.00 179.25 178.53 2kax h LEU 9 N -0.69 -0.42 -0.74 0.00 -0.00 -0.92 -0.17 115.31 112.38 2kax h LEU 9 Ca -0.03 0.04 0.16 0.00 -0.00 0.00 0.00 57.88 58.05 2kax h LEU 9 Cb 0.48 0.14 -0.11 0.00 -0.00 0.00 0.00 40.66 41.17 2kax h LEU 9 CO 0.05 -0.24 0.15 0.74 -0.00 0.00 0.00 178.44 179.14 2kax h THR 10 N -0.35 0.48 -0.36 0.22 2.02 -0.63 0.20 112.91 114.49 2kax h THR 10 Ca 0.00 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 2kax h THR 10 Cb 0.33 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2kax h THR 10 CO -0.03 0.04 -0.17 0.74 0.37 0.00 0.00 175.52 176.47 2kax h THR 11 N 0.23 1.28 -0.55 3.16 2.02 -0.82 -0.39 112.91 117.85 2kax h THR 11 Ca 0.42 -1.29 0.04 0.00 0.77 0.00 0.00 66.41 66.35 2kax h THR 11 Cb 0.72 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 2kax h THR 11 CO -0.54 0.42 0.30 0.24 0.37 0.00 0.00 175.52 176.31 2kax h MET 12 N 0.54 0.56 -0.11 6.66 2.07 -0.16 -0.03 114.93 124.45 2kax h MET 12 Ca 0.08 -0.03 -0.17 0.00 -2.07 0.00 0.00 59.70 57.51 2kax h MET 12 Cb 0.71 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 30.31 2kax h MET 12 CO 0.05 0.37 -0.64 -0.39 1.07 0.00 0.00 176.91 177.38 2kax h VAL 13 N 0.58 1.36 -0.46 -2.22 -1.51 -0.91 -1.64 116.25 111.45 2kax h VAL 13 Ca 0.24 -1.97 -0.05 0.00 -1.23 0.00 0.00 66.70 63.69 2kax h VAL 13 Cb 0.12 1.96 -0.02 0.00 -2.13 0.00 0.00 31.29 31.22 2kax h VAL 13 CO -0.15 0.60 0.10 0.74 -1.23 0.00 0.00 177.57 177.63 2kax h THR 14 N 0.31 1.24 -0.36 7.19 2.02 -0.72 0.06 112.91 122.65 2kax h THR 14 Ca -0.01 -0.85 -0.16 0.00 0.77 0.00 0.00 66.41 66.16 2kax h THR 14 Cb 1.18 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2kax h THR 14 CO 0.11 0.30 -0.39 0.71 0.37 0.00 0.00 175.52 176.62 2kax h THR 15 N 0.62 1.28 -0.33 3.16 1.35 -1.02 -2.57 112.91 115.40 2kax h THR 15 Ca 0.14 -1.56 -0.06 0.00 -0.55 0.00 0.00 66.41 64.38 2kax h THR 15 Cb 0.34 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 2kax h THR 15 CO 0.00 0.52 -0.04 0.15 -0.25 0.00 0.00 175.52 175.90 2kax h PHE 16 N 0.70 0.68 -0.32 4.73 3.04 -1.23 -2.83 116.94 121.71 2kax h PHE 16 Ca 0.05 -0.13 0.03 0.00 3.98 0.00 0.00 57.97 61.90 2kax h PHE 16 Cb 0.98 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.31 2kax h PHE 16 CO 0.07 0.76 0.21 1.25 -2.02 0.00 0.00 178.31 178.58 2kax h HIS 17 N 0.40 0.28 0.00 0.41 2.76 -1.00 -1.57 115.15 116.44 2kax h HIS 17 Ca 0.09 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2kax h HIS 17 Cb 0.52 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 2kax h HIS 17 CO 0.04 0.17 -0.04 -0.22 -1.30 0.00 0.00 177.93 176.58 2kax h LYS 18 N 0.29 0.00 0.00 5.26 3.64 -1.19 0.11 116.57 124.68 2kax h LYS 18 Ca 0.13 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 2kax h LYS 18 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2kax h LYS 18 CO -0.03 0.04 -1.36 0.66 -2.27 0.00 0.00 179.45 176.49 2kax n TYR 19 N -3.89 0.00 0.27 1.91 4.02 -1.07 -4.22 117.16 114.19 2kax n TYR 19 Ca -0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.71 2kax n TYR 19 Cb 0.13 -0.24 -0.08 0.00 -0.02 0.00 0.00 39.34 39.12 2kax n TYR 19 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2kax h SER 20 N 0.00 -0.57 0.00 7.72 0.87 -1.30 -3.27 113.55 117.00 2kax h SER 20 Ca -0.12 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2kax h SER 20 Cb 1.10 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2kax h SER 20 CO 0.01 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 176.60 2kax n GLY 21 N -1.04 -0.67 0.33 5.77 0.00 0.39 -2.12 105.19 107.85 2kax n GLY 21 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 2kax n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kax h ARG 22 N 0.01 1.11 0.00 1.61 2.43 -1.73 -3.47 114.38 114.34 2kax h ARG 22 Ca 0.00 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2kax h ARG 22 Cb 0.04 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2kax h ARG 22 CO 0.00 0.92 0.00 0.39 -1.51 0.00 0.00 179.97 179.77 2kax n GLU 23 N -4.27 0.00 -0.11 0.20 1.02 -0.90 -5.06 120.64 111.51 2kax n GLU 23 Ca 0.06 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 2kax n GLU 23 Cb 0.20 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 31.90 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 2.43 0.30 3.63 0.62 0.00 -1.25 -4.91 105.19 106.00 2kax n GLY 24 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.32 -0.30 0.00 1.61 0.15 -1.26 -5.05 113.70 107.54 2kax s SER 25 Ca 0.27 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2kax s SER 25 Cb 0.14 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2kax s SER 25 CO 0.21 -0.84 0.48 2.29 1.20 0.00 0.00 173.24 176.58 2kax n LYS 26 N -0.37 -0.12 0.00 5.44 0.00 -1.26 -1.98 118.16 119.86 2kax n LYS 26 Ca -0.08 -0.56 0.00 0.00 -0.00 0.00 0.00 58.31 57.67 2kax n LYS 26 Cb 0.61 -0.88 0.00 0.00 -0.00 0.00 0.00 35.03 34.77 2kax n LYS 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kax n LEU 27 N -0.08 0.00 -3.78 -5.58 -0.00 -1.26 -4.58 117.00 101.72 2kax n LEU 27 Ca 0.00 -0.32 -0.13 0.00 -0.00 0.00 0.00 56.01 55.56 2kax n LEU 27 Cb 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.44 2kax n LEU 27 CO 0.00 0.00 -0.02 0.42 -0.00 0.00 0.00 177.39 177.79 2kax s THR 28 N -0.79 0.05 0.23 1.47 -4.23 -1.26 -3.98 115.64 107.12 2kax s THR 28 Ca 0.00 -0.38 -0.21 0.00 -1.18 0.00 0.00 61.69 59.91 2kax s THR 28 Cb 0.00 -0.54 0.04 0.00 1.34 0.00 0.00 72.50 73.33 2kax s THR 28 CO 0.00 -0.21 0.65 -1.48 -0.54 0.00 0.00 174.62 173.04 2kax s LEU 29 N -0.96 -0.34 0.40 4.79 2.34 -0.69 -4.57 118.68 119.66 2kax s LEU 29 Ca -0.10 -0.37 -0.26 0.00 0.06 0.00 0.00 54.13 53.45 2kax s LEU 29 Cb -0.05 2.61 -0.10 0.00 -0.56 0.00 0.00 46.19 48.09 2kax s LEU 29 CO 0.03 -1.17 1.33 -0.24 -1.06 0.00 0.00 176.35 175.23 2kax n SER 30 N -0.42 2.89 -0.09 1.48 2.88 -1.26 -0.27 113.62 118.83 2kax n SER 30 Ca -0.10 1.15 0.01 0.00 -1.33 0.00 0.00 58.87 58.61 2kax n SER 30 Cb 0.62 -1.53 0.31 0.00 -0.75 0.00 0.00 64.21 62.86 2kax n SER 30 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2kax h ARG 31 N 2.35 0.72 -0.32 -1.46 3.08 -0.91 0.84 114.38 118.68 2kax h ARG 31 Ca -0.48 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.42 2kax h ARG 31 Cb 1.28 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 2kax h ARG 31 CO 0.61 0.55 -0.12 -0.22 -1.07 0.00 0.00 179.97 179.71 2kax h LYS 32 N 0.73 0.55 0.16 0.04 3.11 -0.79 -2.22 116.57 118.15 2kax h LYS 32 Ca 0.19 -0.16 -0.22 0.00 -2.81 0.00 0.00 60.65 57.64 2kax h LYS 32 Cb 0.04 -0.06 0.02 0.00 -1.00 0.00 0.00 32.23 31.24 2kax h LYS 32 CO -0.03 0.66 -0.97 1.49 -2.81 0.00 0.00 179.45 177.79 2kax h GLU 33 N 0.50 0.35 -1.01 1.90 4.57 -1.65 -3.04 114.58 116.20 2kax h GLU 33 Ca 0.09 -0.59 0.04 0.00 -1.18 0.00 0.00 59.36 57.71 2kax h GLU 33 Cb 0.52 0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 29.27 2kax h GLU 33 CO 0.03 1.28 0.66 1.25 -1.18 0.00 0.00 179.01 181.05 2kax h LEU 34 N -0.27 1.10 -1.22 1.64 5.85 -0.89 0.13 115.31 121.66 2kax h LEU 34 Ca -0.17 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 2kax h LEU 34 Cb 1.75 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 2kax h LEU 34 CO 0.17 0.75 -0.21 0.07 -0.34 0.00 0.00 178.44 178.89 2kax h LYS 35 N 1.27 0.00 -0.32 1.25 2.10 -1.52 -2.82 116.57 116.54 2kax h LYS 35 Ca 0.40 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.96 2kax h LYS 35 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2kax h LYS 35 CO -0.13 0.21 -0.16 1.49 -2.00 0.00 0.00 179.45 178.86 2kax h GLU 36 N 0.00 0.67 -0.23 0.07 4.57 -0.90 -2.96 114.58 115.79 2kax h GLU 36 Ca -0.00 -0.30 0.06 0.00 -1.18 0.00 0.00 59.36 57.94 2kax h GLU 36 Cb 0.69 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.20 2kax h GLU 36 CO 0.03 0.89 -0.22 1.25 -1.18 0.00 0.00 179.01 179.78 2kax h LEU 37 N 0.43 -0.71 0.71 1.64 5.85 -0.96 -1.43 115.31 120.84 2kax h LEU 37 Ca 0.07 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 2kax h LEU 37 Cb 0.69 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2kax h LEU 37 CO 0.05 -0.26 -0.38 0.40 -0.34 0.00 0.00 178.44 177.90 2kax h ILE 38 N -0.23 0.22 -0.01 4.05 2.04 -1.58 -1.41 117.51 120.59 2kax h ILE 38 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2kax h ILE 38 Cb 0.43 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2kax h ILE 38 CO -0.37 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.07 2kax n LYS 39 N -5.54 1.06 -0.07 2.37 5.02 -1.12 -0.69 118.16 119.21 2kax n LYS 39 Ca -0.14 -0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 55.96 2kax n LYS 39 Cb 0.42 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.92 2kax n LYS 39 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kax n LYS 40 N -0.75 0.67 -0.07 1.97 4.01 -0.55 -4.68 118.16 118.76 2kax n LYS 40 Ca 0.17 0.12 -0.13 0.00 -0.51 0.00 0.00 58.31 57.97 2kax n LYS 40 Cb 0.10 -1.63 -0.14 0.00 -0.51 0.00 0.00 35.03 32.84 2kax n LYS 40 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2kax n GLU 41 N -2.90 0.68 -4.57 1.97 -0.00 -0.54 -4.96 120.64 110.32 2kax n GLU 41 Ca -0.27 0.14 -0.34 0.00 -0.00 0.00 0.00 57.16 56.69 2kax n GLU 41 Cb 1.11 -1.62 -0.12 0.00 -0.00 0.00 0.00 31.44 30.81 2kax n GLU 41 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2kax s LEU 42 N -6.05 3.09 -0.92 -1.84 0.20 0.14 -5.05 118.68 108.24 2kax s LEU 42 Ca -0.15 -0.15 -0.24 0.00 0.69 0.00 0.00 54.13 54.28 2kax s LEU 42 Cb 0.07 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 44.11 2kax s LEU 42 CO 0.78 0.23 1.78 0.00 -0.29 0.00 0.00 176.35 178.85 2kax s LEU 44 N 8.44 6.09 0.00 0.00 1.02 -1.26 -4.58 118.68 128.39 2kax s LEU 44 Ca 0.62 -1.92 0.00 0.00 0.02 0.00 0.00 54.13 52.85 2kax s LEU 44 Cb -0.05 -2.15 0.00 0.00 0.02 0.00 0.00 46.19 44.01 2kax s LEU 44 CO -0.02 -0.78 0.00 0.61 0.02 0.00 0.00 176.35 176.18 2kax n GLY 45 N 5.02 0.00 0.00 -3.19 0.00 -1.26 -5.02 105.19 100.74 2kax n GLY 45 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 1.61 0.28 -1.26 -5.15 120.64 116.12 2kax n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2kax n GLU 46 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2kax n GLU 46 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2kax n MET 47 N -0.08 2.24 -0.07 3.44 2.81 -1.26 -4.98 117.12 119.22 2kax n MET 47 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 2kax n MET 47 Cb 0.00 0.00 0.15 0.00 -0.71 0.00 0.00 33.22 32.66 2kax n MET 47 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kax n LYS 48 N 0.00 2.39 0.00 0.03 4.01 -1.26 -4.98 118.16 118.35 2kax n LYS 48 Ca 0.00 -2.05 0.00 0.00 -0.51 0.00 0.00 58.31 55.75 2kax n LYS 48 Cb 0.00 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 2kax n LYS 48 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2kax n GLU 49 N 1.39 0.00 0.00 1.97 1.02 -1.26 -4.80 120.64 118.96 2kax n GLU 49 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2kax n GLU 49 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 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 0.00 0.00 -1.08 1.62 7.64 -1.26 -4.93 113.62 115.62 2kax n SER 50 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kax n SER 50 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kax n SER 50 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kax n SER 51 N 0.00 0.87 0.00 6.43 7.64 -1.26 -2.59 113.62 124.71 2kax n SER 51 Ca 0.00 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.26 2kax n SER 51 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.95 0.00 0.03 0.44 -6.64 -1.26 -4.64 119.36 108.24 2kax n ILE 52 Ca 0.00 0.00 -0.19 0.00 -1.77 0.00 0.00 62.75 60.79 2kax n ILE 52 Cb 0.14 -0.44 -0.11 0.00 -1.44 0.00 0.00 39.64 37.79 2kax n ILE 52 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 2kax h ASP 53 N 0.00 0.80 -0.88 7.28 3.58 -1.91 -1.62 116.42 123.68 2kax h ASP 53 Ca 0.00 -0.74 0.20 0.00 0.42 0.00 0.00 57.03 56.91 2kax h ASP 53 Cb 0.59 -0.25 -0.12 0.00 1.72 0.00 0.00 39.33 41.27 2kax h ASP 53 CO 0.00 1.44 0.40 -0.78 -2.88 0.00 0.00 179.24 177.42 2kax h ASP 54 N 0.25 0.36 -0.18 2.28 3.58 -1.89 0.32 116.42 121.15 2kax h ASP 54 Ca -0.11 0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.40 2kax h ASP 54 Cb 1.57 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 2kax h ASP 54 CO 0.18 0.05 -0.19 -0.07 -2.88 0.00 0.00 179.24 176.32 2kax h LEU 55 N 0.45 0.48 -1.46 2.28 3.38 -1.75 0.32 115.31 118.99 2kax h LEU 55 Ca 0.53 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2kax h LEU 55 Cb 0.96 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2kax h LEU 55 CO -0.49 0.87 -0.27 0.24 0.09 0.00 0.00 178.44 178.87 2kax h MET 56 N 0.09 0.00 0.00 1.13 2.86 -0.85 -0.94 114.93 117.23 2kax h MET 56 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2kax h MET 56 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 2kax h MET 56 CO 0.05 0.27 -0.28 -0.22 1.06 0.00 0.00 176.91 177.79 2kax h LYS 57 N 0.00 0.00 -0.02 1.72 1.63 -0.19 -2.51 116.57 117.20 2kax h LYS 57 Ca -0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 2kax h LYS 57 Cb 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 2kax h LYS 57 CO 0.04 0.00 -0.21 1.03 -3.45 0.00 0.00 179.45 176.86 2kax h SER 58 N 0.00 0.22 -0.64 4.20 0.87 0.02 -3.26 113.55 114.96 2kax h SER 58 Ca 0.00 -0.71 0.10 0.00 -1.23 0.00 0.00 61.79 59.95 2kax h SER 58 Cb 0.97 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 2kax h SER 58 CO 0.00 0.90 0.43 -0.07 -0.53 0.00 0.00 176.83 177.55 2kax h LEU 59 N -0.43 0.43 -1.64 2.23 3.38 -1.18 -1.58 115.31 116.52 2kax h LEU 59 Ca -0.02 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.07 2kax h LEU 59 Cb 0.91 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2kax h LEU 59 CO 0.04 0.26 0.42 -0.78 0.09 0.00 0.00 178.44 178.47 2kax h ASP 60 N 0.48 0.37 0.28 -0.43 3.58 -1.49 -2.32 116.42 116.89 2kax h ASP 60 Ca 0.29 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 2kax h ASP 60 Cb 0.52 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 2kax h ASP 60 CO -0.09 0.22 -0.11 0.11 -2.88 0.00 0.00 179.24 176.49 2kax h LYS 61 N 0.40 0.00 0.00 0.28 1.79 -1.33 -3.29 116.57 114.43 2kax h LYS 61 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 2kax h LYS 61 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2kax h LYS 61 CO -0.08 0.11 -0.19 0.09 -1.08 0.00 0.00 179.45 178.30 2kax n ASN 62 N -3.78 0.95 0.00 0.86 4.13 -1.25 -5.08 115.26 111.09 2kax n ASN 62 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 2kax n ASN 62 Cb 0.21 0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 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 -0.30 0.00 -0.83 6.41 7.64 -0.87 -3.90 113.62 121.77 2kax n SER 63 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2kax n SER 63 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.13 -0.43 -4.64 6.43 8.00 -1.26 -0.11 116.55 124.67 2kax n ASP 64 Ca 0.00 -1.64 -0.29 0.00 0.71 0.00 0.00 54.79 53.57 2kax n ASP 64 Cb 0.00 0.12 0.18 0.00 -0.02 0.00 0.00 41.12 41.40 2kax n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kax s GLN 65 N 0.00 0.37 0.41 -1.24 -2.07 -1.25 -4.92 119.66 110.96 2kax s GLN 65 Ca 0.03 0.78 -0.23 0.00 -1.82 0.00 0.00 55.36 54.12 2kax s GLN 65 Cb 0.03 -1.71 -0.10 0.00 -1.09 0.00 0.00 33.01 30.14 2kax s GLN 65 CO -0.01 -2.84 0.99 -1.21 -1.32 0.00 0.00 175.29 170.90 2kax s GLU 66 N -4.79 4.20 0.06 9.60 2.02 -1.26 -3.36 118.70 125.17 2kax s GLU 66 Ca 0.66 1.31 0.09 0.00 0.02 0.00 0.00 54.97 57.05 2kax s GLU 66 Cb -0.20 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 2kax s GLU 66 CO 0.59 -0.07 -0.26 0.42 0.02 0.00 0.00 175.26 175.96 2kax s ILE 67 N -1.89 2.24 0.45 -1.63 1.01 0.62 -4.89 121.20 117.11 2kax s ILE 67 Ca 0.60 -1.45 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2kax s ILE 67 Cb -0.16 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.42 2kax s ILE 67 CO 0.20 0.30 0.62 1.51 0.00 0.00 0.00 174.94 177.57 2kax s ASP 68 N -1.45 5.58 0.63 3.58 -4.77 -1.26 -1.70 116.67 117.28 2kax s ASP 68 Ca 0.13 -0.30 0.36 0.00 -3.30 0.00 0.00 52.55 49.44 2kax s ASP 68 Cb -0.10 -0.75 1.98 0.00 -1.09 0.00 0.00 42.92 42.96 2kax s ASP 68 CO 0.03 -0.84 2.11 2.19 0.70 0.00 0.00 175.17 179.37 2kax h PHE 69 N 0.51 0.00 0.07 2.11 -5.15 -2.00 -1.97 116.94 110.52 2kax h PHE 69 Ca -0.41 0.00 -0.31 0.00 -0.20 0.00 0.00 57.97 57.05 2kax h PHE 69 Cb 1.28 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.43 2kax h PHE 69 CO 0.39 0.00 -1.72 1.17 -2.00 0.00 0.00 178.31 176.15 2kax n LYS 70 N -2.90 0.68 -0.31 6.09 4.81 -1.26 -1.65 118.16 123.61 2kax n LYS 70 Ca -0.02 0.39 0.11 0.00 -0.87 0.00 0.00 58.31 57.91 2kax n LYS 70 Cb 0.19 -1.72 0.28 0.00 0.02 0.00 0.00 35.03 33.80 2kax n LYS 70 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kax h GLU 71 N -0.38 0.56 -0.37 1.64 5.08 -1.95 -0.36 114.58 118.81 2kax h GLU 71 Ca -0.40 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 2kax h GLU 71 Cb 1.73 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 2kax h GLU 71 CO -0.05 0.37 0.07 -0.92 -1.00 0.00 0.00 179.01 177.49 2kax h TYR 72 N 0.58 0.63 -0.47 4.33 3.20 -1.37 -0.01 116.97 123.86 2kax h TYR 72 Ca 0.53 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.32 2kax h TYR 72 Cb 0.87 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 2kax h TYR 72 CO -0.08 0.64 0.31 1.03 -1.64 0.00 0.00 178.16 178.41 2kax h SER 73 N 0.44 0.53 0.44 -2.11 0.87 -0.76 -1.14 113.55 111.82 2kax h SER 73 Ca 0.11 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 2kax h SER 73 Cb 0.34 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2kax h SER 73 CO 0.00 0.38 -0.57 -0.37 -0.53 0.00 0.00 176.83 175.75 2kax h VAL 74 N 0.63 1.39 -0.17 2.23 -1.51 -0.85 0.09 116.25 118.06 2kax h VAL 74 Ca 0.18 -1.92 -0.07 0.00 -1.23 0.00 0.00 66.70 63.65 2kax h VAL 74 Cb -0.06 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 2kax h VAL 74 CO -0.05 0.56 -0.18 0.15 -1.23 0.00 0.00 177.57 176.83 2kax h PHE 75 N 0.11 0.51 -0.49 5.19 3.04 -0.79 0.12 116.94 124.62 2kax h PHE 75 Ca -0.00 -0.15 -0.04 0.00 3.98 0.00 0.00 57.97 61.75 2kax h PHE 75 Cb 1.03 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 2kax h PHE 75 CO 0.01 0.80 0.15 -0.07 -2.02 0.00 0.00 178.31 177.18 2kax h LEU 76 N 0.07 0.72 -0.58 0.59 3.38 -1.21 -1.14 115.31 117.14 2kax h LEU 76 Ca 0.03 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2kax h LEU 76 Cb 0.72 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2kax h LEU 76 CO 0.04 0.73 0.04 0.74 0.09 0.00 0.00 178.44 180.09 2kax h THR 77 N 0.66 1.26 -0.86 0.22 2.02 -0.96 -1.39 112.91 113.86 2kax h THR 77 Ca 0.16 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.27 2kax h THR 77 Cb 0.27 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 2kax h THR 77 CO -0.00 0.39 0.55 -0.03 0.37 0.00 0.00 175.52 176.80 2kax h MET 78 N 0.89 1.14 -0.33 6.66 1.85 -0.68 -0.33 114.93 124.13 2kax h MET 78 Ca 0.17 -0.08 -0.02 0.00 -0.61 0.00 0.00 59.70 59.16 2kax h MET 78 Cb 0.50 -0.25 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 2kax h MET 78 CO 0.02 0.77 0.14 1.25 -0.40 0.00 0.00 176.91 178.69 2kax h LEU 79 N 1.17 0.45 -1.11 3.39 7.12 -0.77 -0.32 115.31 125.24 2kax h LEU 79 Ca 0.31 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 2kax h LEU 79 Cb -0.11 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 39.88 2kax h LEU 79 CO -0.06 0.48 0.24 0.00 -0.13 0.00 0.00 178.44 178.97 2kax h MET 81 N 0.86 0.00 0.00 0.00 2.86 -0.91 -3.23 114.93 114.51 2kax h MET 81 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2kax h MET 81 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2kax h MET 81 CO -0.02 0.35 0.00 0.00 1.06 0.00 0.00 176.91 178.30 2kax n ALA 82 N -2.24 2.15 -3.17 6.32 0.00 -0.14 -4.62 120.51 118.80 2kax n ALA 82 Ca 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.43 2kax n ALA 82 Cb 0.55 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.05 -1.44 -0.28 0.00 1.13 -1.13 -4.91 117.35 107.66 2kax s TYR 83 Ca 0.11 1.58 -0.16 0.00 -1.41 0.00 0.00 57.07 57.19 2kax s TYR 83 Cb 0.15 0.52 0.11 0.00 -1.10 0.00 0.00 41.96 41.64 2kax s TYR 83 CO 0.49 -0.78 0.80 1.21 -2.51 0.00 0.00 175.55 174.76 2kax s ASN 84 N 2.87 -0.77 0.00 -0.18 3.84 -1.25 -4.75 114.94 114.70 2kax s ASN 84 Ca 0.16 1.23 0.18 0.00 0.21 0.00 0.00 52.86 54.65 2kax s ASN 84 Cb -0.14 1.33 0.15 0.00 -0.55 0.00 0.00 41.25 42.04 2kax s ASN 84 CO -0.19 -0.19 1.07 0.47 -2.79 0.00 0.00 177.10 175.46 2kax n ASP 85 N 4.10 2.50 -0.11 -4.21 9.92 -1.26 -4.52 116.55 122.98 2kax n ASP 85 Ca -0.19 -1.75 -0.17 0.00 -0.53 0.00 0.00 54.79 52.15 2kax n ASP 85 Cb 0.58 -0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.93 2kax n ASP 85 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2kax n PHE 86 N 1.01 0.16 -0.64 1.24 -0.00 -1.26 -4.19 117.46 113.77 2kax n PHE 86 Ca 0.11 0.04 0.07 0.00 -0.00 0.00 0.00 57.45 57.66 2kax n PHE 86 Cb 0.45 -1.02 0.36 0.00 -0.00 0.00 0.00 39.48 39.27 2kax n PHE 86 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.76 178.73 2kax n PHE 87 N -3.19 1.76 -1.29 -5.13 1.16 -1.26 -5.04 117.46 104.47 2kax n PHE 87 Ca -0.41 -0.63 -0.38 0.00 -1.87 0.00 0.00 57.45 54.16 2kax n PHE 87 Cb 1.03 -0.41 0.03 0.00 -1.61 0.00 0.00 39.48 38.52 2kax n PHE 87 CO 0.00 0.00 0.00 1.47 -1.87 0.00 0.00 176.76 176.36 2kax n LEU 88 N 0.70 -1.82 -0.03 5.98 -0.00 -1.26 -4.97 117.00 115.60 2kax n LEU 88 Ca 0.25 0.62 -0.14 0.00 -0.00 0.00 0.00 56.01 56.75 2kax n LEU 88 Cb 1.04 -1.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.36 2kax n LEU 88 CO 0.28 -4.11 0.54 -0.33 -0.00 0.00 0.00 177.39 173.77 2kax h GLU 89 N -0.09 0.16 0.00 1.47 3.07 -1.95 -3.48 114.58 113.76 2kax h GLU 89 Ca -0.43 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 2kax h GLU 89 Cb 1.40 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 2kax h GLU 89 CO 0.42 0.72 0.00 -0.25 -1.40 0.00 0.00 179.01 178.50 2kax n ASP 90 N -4.65 0.00 -1.99 1.42 8.00 -1.26 -5.06 116.55 113.01 2kax n ASP 90 Ca -0.08 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 2kax n ASP 90 Cb 0.37 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.33 2kax n ASP 90 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2kax n ASN 91 N 0.00 4.85 0.00 -2.24 6.94 -1.26 -5.29 115.26 118.27 2kax n ASN 91 Ca 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 54.58 52.16 2kax n ASN 91 Cb 0.00 -1.29 0.00 0.00 -2.36 0.00 0.00 39.78 36.13 2kax n ASN 91 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52