#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka5 n GLY 2 N 0.00 -1.88 3.01 3.17 0.00 -1.26 -5.06 105.19 103.18 2ka5 n GLY 2 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 2ka5 n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ka5 n SER 3 N 0.45 -6.28 0.03 1.61 7.64 -1.26 -4.97 113.62 110.84 2ka5 n SER 3 Ca 0.00 -0.53 -0.11 0.00 1.01 0.00 0.00 58.87 59.24 2ka5 n SER 3 Cb 0.00 -4.68 -0.05 0.00 -1.01 0.00 0.00 64.21 58.47 2ka5 n SER 3 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ka5 h ASP 4 N -0.71 -0.99 -6.04 6.43 1.82 -2.08 -3.46 116.42 111.40 2ka5 h ASP 4 Ca -0.44 0.14 -0.44 0.00 -0.39 0.00 0.00 57.03 55.89 2ka5 h ASP 4 Cb 1.22 0.41 -0.13 0.00 0.68 0.00 0.00 39.33 41.51 2ka5 h ASP 4 CO 0.37 -0.37 -0.67 0.29 -1.61 0.00 0.00 179.24 177.25 2ka5 n LYS 5 N -5.41 -3.36 -0.12 0.28 5.02 -1.26 -4.85 118.16 108.46 2ka5 n LYS 5 Ca -0.04 0.42 0.10 0.00 -2.02 0.00 0.00 58.31 56.77 2ka5 n LYS 5 Cb 0.33 -5.14 0.31 0.00 -0.02 0.00 0.00 35.03 30.51 2ka5 n LYS 5 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2ka5 n ILE 6 N -4.11 0.32 -3.10 -0.18 0.13 -1.26 -4.65 119.36 106.51 2ka5 n ILE 6 Ca 0.03 -0.45 -0.44 0.00 -1.10 0.00 0.00 62.75 60.79 2ka5 n ILE 6 Cb 0.52 0.47 0.01 0.00 -0.84 0.00 0.00 39.64 39.79 2ka5 n ILE 6 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2ka5 n HIS 7 N 0.60 3.19 0.00 9.51 1.44 -1.26 -4.57 115.22 124.13 2ka5 n HIS 7 Ca 0.16 -2.99 0.00 0.00 -2.01 0.00 0.00 57.72 52.88 2ka5 n HIS 7 Cb 0.38 -1.40 0.00 0.00 0.12 0.00 0.00 29.99 29.09 2ka5 n HIS 7 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2ka5 n HIS 8 N 1.77 0.00 -1.73 -1.40 1.44 -1.26 -5.06 115.22 108.98 2ka5 n HIS 8 Ca 0.26 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.55 2ka5 n HIS 8 Cb 0.35 0.21 -0.03 0.00 0.12 0.00 0.00 29.99 30.64 2ka5 n HIS 8 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2ka5 s HIS 9 N -0.88 1.40 0.21 -1.40 5.04 -1.26 -4.95 115.29 113.45 2ka5 s HIS 9 Ca 0.00 -0.36 0.08 0.00 -1.54 0.00 0.00 55.06 53.25 2ka5 s HIS 9 Cb 0.00 -4.19 -0.05 0.00 0.04 0.00 0.00 32.58 28.38 2ka5 s HIS 9 CO 0.00 -5.31 -0.15 -3.38 -2.34 0.00 0.00 174.74 163.56 2ka5 s HIS 10 N 4.37 1.80 -0.25 3.88 -3.43 -1.26 -5.09 115.29 115.31 2ka5 s HIS 10 Ca 0.86 -0.53 0.19 0.00 -0.80 0.00 0.00 55.06 54.78 2ka5 s HIS 10 Cb -0.41 -0.83 0.49 0.00 -1.43 0.00 0.00 32.58 30.40 2ka5 s HIS 10 CO 0.40 0.41 1.13 1.58 -2.00 0.00 0.00 174.74 176.26 2ka5 n HIS 11 N -0.36 1.50 -3.56 0.38 -0.00 -1.26 -4.99 115.22 106.93 2ka5 n HIS 11 Ca -0.08 -2.05 -0.21 0.00 -0.00 0.00 0.00 57.72 55.39 2ka5 n HIS 11 Cb 0.60 -0.25 0.05 0.00 -0.00 0.00 0.00 29.99 30.39 2ka5 n HIS 11 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ka5 n HIS 12 N -0.57 -2.07 -0.72 1.57 -0.00 -1.26 -4.90 115.22 107.28 2ka5 n HIS 12 Ca 0.16 0.81 -0.08 0.00 0.46 0.00 0.00 57.72 59.06 2ka5 n HIS 12 Cb 0.86 -4.34 -0.12 0.00 -0.12 0.00 0.00 29.99 26.27 2ka5 n HIS 12 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 2ka5 n MET 13 N -4.04 1.44 -3.47 1.57 0.00 -1.26 -4.60 117.12 106.76 2ka5 n MET 13 Ca -0.23 -0.69 -0.27 0.00 0.00 0.00 0.00 57.70 56.52 2ka5 n MET 13 Cb 0.65 -1.81 -0.09 0.00 0.00 0.00 0.00 33.22 31.97 2ka5 n MET 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2ka5 n PHE 14 N 2.54 2.64 -0.79 1.12 3.01 -1.26 -4.94 117.46 119.79 2ka5 n PHE 14 Ca 0.30 -4.04 -0.08 0.00 1.01 0.00 0.00 57.45 54.64 2ka5 n PHE 14 Cb 0.66 -0.49 -0.07 0.00 -0.01 0.00 0.00 39.48 39.57 2ka5 n PHE 14 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2ka5 n PRO 15 N 1.27 1.54 -3.80 -1.08 -0.04 -1.26 -4.84 135.00 126.79 2ka5 n PRO 15 Ca 0.27 -0.64 -0.05 0.00 -0.04 0.00 0.00 63.50 63.03 2ka5 n PRO 15 Cb 0.42 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 2ka5 n PRO 15 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2ka5 s TYR 16 N 0.19 -0.17 0.25 0.54 1.13 -1.26 -0.69 117.35 117.35 2ka5 s TYR 16 Ca 0.33 -0.21 0.00 0.00 -1.41 0.00 0.00 57.07 55.78 2ka5 s TYR 16 Cb 0.17 0.67 -0.03 0.00 -1.10 0.00 0.00 41.96 41.67 2ka5 s TYR 16 CO -0.01 -1.03 0.22 -1.59 -2.51 0.00 0.00 175.55 170.62 2ka5 s LYS 17 N -3.61 1.43 -0.11 -3.49 -2.85 0.33 -4.87 119.74 106.56 2ka5 s LYS 17 Ca 0.11 -1.72 -0.00 0.00 -1.00 0.00 0.00 55.97 53.36 2ka5 s LYS 17 Cb -0.04 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 2ka5 s LYS 17 CO 0.04 -0.51 -0.07 0.42 0.10 0.00 0.00 175.35 175.33 2ka5 s ILE 18 N -3.88 1.00 0.00 3.79 1.01 -1.26 -0.68 121.20 121.18 2ka5 s ILE 18 Ca 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2ka5 s ILE 18 Cb 0.05 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2ka5 s ILE 18 CO 0.17 0.36 0.00 1.33 0.00 0.00 0.00 174.94 176.80 2ka5 n VAL 19 N 4.88 0.00 0.00 2.92 0.24 -0.12 -4.93 118.33 121.31 2ka5 n VAL 19 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2ka5 n VAL 19 Cb 0.50 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 2ka5 n VAL 19 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2ka5 n ASP 20 N 0.00 0.00 -1.19 -1.34 2.03 -1.26 -3.66 116.55 111.13 2ka5 n ASP 20 Ca 0.00 0.22 0.01 0.00 0.52 0.00 0.00 54.79 55.54 2ka5 n ASP 20 Cb 0.00 -0.10 -0.00 0.00 -0.72 0.00 0.00 41.12 40.30 2ka5 n ASP 20 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2ka5 n ASP 21 N -1.86 0.37 -4.23 1.67 5.68 -1.26 -5.12 116.55 111.79 2ka5 n ASP 21 Ca 0.00 -1.95 -0.29 0.00 -0.50 0.00 0.00 54.79 52.05 2ka5 n ASP 21 Cb 0.00 -0.14 -0.16 0.00 -1.14 0.00 0.00 41.12 39.68 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2ka5 s VAL 22 N 0.00 1.80 0.07 2.12 1.01 -1.24 -4.77 120.40 119.39 2ka5 s VAL 22 Ca 0.20 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 2ka5 s VAL 22 Cb 0.23 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 2ka5 s VAL 22 CO -0.10 0.51 0.76 -0.69 0.00 0.00 0.00 175.10 175.58 2ka5 s VAL 23 N -0.27 4.66 -0.34 2.92 1.01 -0.71 -0.95 120.40 126.73 2ka5 s VAL 23 Ca 0.01 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.63 2ka5 s VAL 23 Cb -0.11 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 32.24 2ka5 s VAL 23 CO 0.01 0.40 0.06 -0.63 0.00 0.00 0.00 175.10 174.95 2ka5 s ILE 24 N -0.31 2.69 -0.83 2.22 1.09 0.15 -0.67 121.20 125.54 2ka5 s ILE 24 Ca 0.38 -1.98 -0.25 0.00 -1.10 0.00 0.00 60.65 57.70 2ka5 s ILE 24 Cb -0.21 -2.80 0.02 0.00 -1.06 0.00 0.00 42.46 38.41 2ka5 s ILE 24 CO 0.23 -0.45 1.53 -0.76 -0.10 0.00 0.00 174.94 175.40 2ka5 s LEU 25 N 1.07 3.29 -0.72 2.97 2.01 0.56 -0.51 118.68 127.34 2ka5 s LEU 25 Ca 0.04 -0.64 -0.18 0.00 0.01 0.00 0.00 54.13 53.36 2ka5 s LEU 25 Cb -0.20 -2.56 0.13 0.00 0.01 0.00 0.00 46.19 43.57 2ka5 s LEU 25 CO -0.05 -1.97 0.82 -0.04 1.01 0.00 0.00 176.35 176.12 2ka5 s MET 26 N 5.93 3.28 1.11 1.70 -1.94 0.13 -0.37 119.30 129.14 2ka5 s MET 26 Ca 0.49 -1.64 -0.15 0.00 -1.71 0.00 0.00 55.69 52.69 2ka5 s MET 26 Cb -0.06 -4.44 0.24 0.00 2.01 0.00 0.00 34.83 32.58 2ka5 s MET 26 CO 0.06 -1.55 1.08 -1.25 -0.01 0.00 0.00 175.02 173.35 2ka5 s PRO 27 N 2.22 -0.45 0.00 2.03 0.04 -1.25 -4.08 135.00 133.51 2ka5 s PRO 27 Ca 0.18 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2ka5 s PRO 27 Cb -0.17 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2ka5 s PRO 27 CO -0.00 -3.29 0.00 0.27 0.04 0.00 0.00 177.00 174.02 2ka5 n ASN 28 N -4.54 0.00 -0.24 6.66 6.94 -1.26 -4.59 115.26 118.22 2ka5 n ASN 28 Ca 0.07 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.66 2ka5 n ASN 28 Cb 0.58 0.26 0.04 0.00 -2.36 0.00 0.00 39.78 38.29 2ka5 n ASN 28 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2ka5 n LYS 29 N -2.20 0.67 -0.02 -3.83 0.00 -1.26 -4.66 118.16 106.86 2ka5 n LYS 29 Ca 0.00 -1.41 0.13 0.00 -0.00 0.00 0.00 58.31 57.03 2ka5 n LYS 29 Cb 0.00 -0.83 0.49 0.00 -0.00 0.00 0.00 35.03 34.69 2ka5 n LYS 29 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2ka5 n GLU 30 N -0.45 1.68 -2.94 -1.58 1.02 -1.26 -4.69 120.64 112.42 2ka5 n GLU 30 Ca 0.04 -1.00 -0.44 0.00 -0.02 0.00 0.00 57.16 55.75 2ka5 n GLU 30 Cb 0.60 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 2ka5 n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ka5 s LEU 31 N -1.89 5.09 -0.05 -4.62 1.43 -1.26 -4.62 118.68 112.76 2ka5 s LEU 31 Ca 0.37 -2.10 0.10 0.00 -1.03 0.00 0.00 54.13 51.46 2ka5 s LEU 31 Cb 0.20 -2.39 0.17 0.00 0.03 0.00 0.00 46.19 44.20 2ka5 s LEU 31 CO 0.32 -1.04 1.08 0.59 0.23 0.00 0.00 176.35 177.53 2ka5 n ASN 32 N 6.45 0.94 0.00 2.29 3.02 -1.26 -5.03 115.26 121.67 2ka5 n ASN 32 Ca 0.24 -2.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 2ka5 n ASN 32 Cb 0.49 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2ka5 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka5 n ILE 33 N -0.44 0.00 0.31 2.41 0.00 -1.26 -4.46 119.36 115.92 2ka5 n ILE 33 Ca 0.07 0.00 0.20 0.00 0.00 0.00 0.00 62.75 63.02 2ka5 n ILE 33 Cb 0.74 0.00 1.05 0.00 0.00 0.00 0.00 39.64 41.43 2ka5 n ILE 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2ka5 h GLU 34 N 0.00 0.00 -2.35 9.51 5.08 -1.95 -2.80 114.58 122.06 2ka5 h GLU 34 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 2ka5 h GLU 34 Cb 0.00 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.86 2ka5 h GLU 34 CO 0.00 0.00 -0.26 -1.71 -1.00 0.00 0.00 179.01 176.04 2ka5 n ASN 35 N -2.92 4.51 0.08 1.42 5.15 -1.26 -4.49 115.26 117.75 2ka5 n ASN 35 Ca -0.02 -3.47 0.00 0.00 -0.60 0.00 0.00 54.58 50.48 2ka5 n ASN 35 Cb 0.09 -0.80 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ka5 n ALA 36 N 0.81 3.00 -0.10 5.20 0.00 -1.06 -4.54 120.51 123.82 2ka5 n ALA 36 Ca 0.30 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.78 2ka5 n ALA 36 Cb 0.39 0.07 0.38 0.00 0.00 0.00 0.00 19.45 20.28 2ka5 n ALA 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ka5 h HIS 37 N 0.00 0.66 0.00 0.00 -0.00 -1.83 0.80 115.15 114.77 2ka5 h HIS 37 Ca 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.32 2ka5 h HIS 37 Cb 0.00 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 2ka5 h HIS 37 CO 0.00 0.39 -0.32 -0.07 -0.00 0.00 0.00 177.93 177.94 2ka5 h LEU 38 N 0.69 0.00 0.71 0.26 3.38 -1.88 -3.20 115.31 115.27 2ka5 h LEU 38 Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2ka5 h LEU 38 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2ka5 h LEU 38 CO -0.06 0.32 -0.39 0.15 0.09 0.00 0.00 178.44 178.55 2ka5 h PHE 39 N 0.00 -1.01 -0.36 1.13 3.57 -1.07 0.19 116.94 119.39 2ka5 h PHE 39 Ca -0.00 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.54 2ka5 h PHE 39 Cb 0.60 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 2ka5 h PHE 39 CO 0.00 -0.60 -0.01 -0.22 -2.23 0.00 0.00 178.31 175.25 2ka5 h LYS 40 N -1.02 0.09 -0.65 1.11 3.64 -1.66 0.29 116.57 118.37 2ka5 h LYS 40 Ca -0.09 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2ka5 h LYS 40 Cb 0.80 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.55 2ka5 h LYS 40 CO 0.13 0.06 0.38 0.87 -2.27 0.00 0.00 179.45 178.62 2ka5 h LYS 41 N 0.09 0.71 0.57 1.90 1.79 -1.37 0.18 116.57 120.44 2ka5 h LYS 41 Ca 0.17 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 2ka5 h LYS 41 Cb 0.24 -0.16 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2ka5 h LYS 41 CO -0.29 0.47 -0.27 2.35 -1.08 0.00 0.00 179.45 180.62 2ka5 h TRP 42 N 0.73 -0.71 -0.98 -1.35 7.01 -0.38 -1.00 115.95 119.28 2ka5 h TRP 42 Ca 0.28 -0.02 0.18 0.00 2.11 0.00 0.00 58.89 61.44 2ka5 h TRP 42 Cb 0.10 0.23 -0.09 0.00 -2.10 0.00 0.00 29.16 27.30 2ka5 h TRP 42 CO -0.06 -0.44 0.61 0.28 -2.79 0.00 0.00 178.44 176.04 2ka5 h VAL 43 N -1.12 0.74 0.10 2.65 2.07 -0.78 0.31 116.25 120.22 2ka5 h VAL 43 Ca -0.08 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 2ka5 h VAL 43 Cb 0.58 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2ka5 h VAL 43 CO 0.13 0.13 -0.05 -0.26 0.02 0.00 0.00 177.57 177.54 2ka5 h PHE 44 N 0.72 -0.12 0.00 1.57 -1.00 -0.66 0.31 116.94 117.76 2ka5 h PHE 44 Ca 0.54 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.31 2ka5 h PHE 44 Cb 0.89 0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.49 2ka5 h PHE 44 CO -0.00 -0.08 0.00 -0.25 -1.61 0.00 0.00 178.31 176.37 2ka5 n ASP 45 N -2.36 0.02 -0.02 2.17 9.92 -0.38 -0.46 116.55 125.44 2ka5 n ASP 45 Ca -0.02 0.50 -0.10 0.00 -0.53 0.00 0.00 54.79 54.64 2ka5 n ASP 45 Cb 0.05 -0.51 -0.14 0.00 -0.64 0.00 0.00 41.12 39.88 2ka5 n ASP 45 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2ka5 n GLU 46 N -1.52 0.65 0.04 -1.24 4.07 0.10 -4.51 120.64 118.24 2ka5 n GLU 46 Ca 0.06 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 2ka5 n GLU 46 Cb 0.28 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 2ka5 n GLU 46 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2ka5 n PHE 47 N -3.08 -0.66 0.32 4.31 3.72 0.05 -4.59 117.46 117.54 2ka5 n PHE 47 Ca -0.20 0.12 -0.18 0.00 -0.05 0.00 0.00 57.45 57.13 2ka5 n PHE 47 Cb 1.06 0.39 -0.10 0.00 -0.94 0.00 0.00 39.48 39.89 2ka5 n PHE 47 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2ka5 h LEU 48 N 0.00 -1.32 0.00 4.37 4.07 -0.55 0.15 115.31 122.03 2ka5 h LEU 48 Ca 0.00 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2ka5 h LEU 48 Cb 0.18 0.43 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2ka5 h LEU 48 CO 0.00 -0.68 0.00 0.59 -1.08 0.00 0.00 178.44 177.27 2ka5 n ASN 49 N -5.57 0.00 0.12 -0.43 3.02 0.39 -1.03 115.26 111.76 2ka5 n ASN 49 Ca -0.13 -0.07 -0.02 0.00 -0.03 0.00 0.00 54.58 54.33 2ka5 n ASN 49 Cb 0.47 -0.27 0.09 0.00 -0.61 0.00 0.00 39.78 39.45 2ka5 n ASN 49 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2ka5 h LYS 50 N 0.00 0.00 0.00 3.52 1.57 -1.40 -3.48 116.57 116.77 2ka5 h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ka5 h LYS 50 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2ka5 h LYS 50 CO 0.00 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 179.98 2ka5 n GLY 51 N 0.70 0.95 3.67 3.86 0.00 -0.20 -5.05 105.19 109.12 2ka5 n GLY 51 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2ka5 n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ka5 s TYR 52 N -1.50 1.27 0.00 1.61 1.51 0.43 -4.96 117.35 115.70 2ka5 s TYR 52 Ca 0.00 0.64 0.00 0.00 -1.01 0.00 0.00 57.07 56.70 2ka5 s TYR 52 Cb 0.00 -3.47 0.00 0.00 -0.11 0.00 0.00 41.96 38.38 2ka5 s TYR 52 CO 0.00 -3.32 0.00 -1.71 -1.11 0.00 0.00 175.55 169.41 2ka5 n ASN 53 N -4.39 0.00 -3.81 2.29 2.85 -1.26 -4.25 115.26 106.68 2ka5 n ASN 53 Ca 0.10 -0.40 -0.28 0.00 -0.11 0.00 0.00 54.58 53.90 2ka5 n ASN 53 Cb 0.59 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.44 2ka5 n ASN 53 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2ka5 s LYS 54 N 0.00 1.01 0.07 1.20 1.02 -1.25 -0.86 119.74 120.92 2ka5 s LYS 54 Ca 0.00 -0.48 0.08 0.00 0.02 0.00 0.00 55.97 55.60 2ka5 s LYS 54 Cb 0.00 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2ka5 s LYS 54 CO 0.00 -0.54 -0.23 0.42 -0.92 0.00 0.00 175.35 174.08 2ka5 s ILE 55 N 1.74 1.87 -0.07 2.17 1.09 -1.18 -1.73 121.20 125.09 2ka5 s ILE 55 Ca -0.01 -1.39 0.02 0.00 -1.10 0.00 0.00 60.65 58.18 2ka5 s ILE 55 Cb -0.16 -1.64 0.02 0.00 -1.06 0.00 0.00 42.46 39.61 2ka5 s ILE 55 CO -0.07 0.18 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.48 2ka5 s PHE 56 N -0.90 1.39 -0.25 3.97 0.08 0.15 -2.89 117.98 119.53 2ka5 s PHE 56 Ca 0.09 -0.53 -0.15 0.00 0.12 0.00 0.00 56.93 56.46 2ka5 s PHE 56 Cb -0.09 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 2ka5 s PHE 56 CO 0.03 -0.29 0.39 -1.17 -0.10 0.00 0.00 175.22 174.07 2ka5 s LEU 57 N 0.79 4.07 0.32 -0.37 2.96 -0.43 -0.32 118.68 125.70 2ka5 s LEU 57 Ca -0.12 0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 54.06 2ka5 s LEU 57 Cb -0.15 -2.46 -0.07 0.00 0.50 0.00 0.00 46.19 44.01 2ka5 s LEU 57 CO 0.02 -0.16 0.65 0.68 -1.32 0.00 0.00 176.35 176.22 2ka5 s VAL 58 N 1.87 4.88 0.00 1.68 -7.23 0.50 -0.34 120.40 121.76 2ka5 s VAL 58 Ca 0.16 0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 2ka5 s VAL 58 Cb -0.15 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.10 2ka5 s VAL 58 CO 0.09 -0.31 0.19 0.18 -0.31 0.00 0.00 175.10 174.94 2ka5 n LEU 59 N -0.78 0.32 0.00 1.32 4.32 -0.23 -4.24 117.00 117.71 2ka5 n LEU 59 Ca 0.01 -0.32 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 2ka5 n LEU 59 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 2ka5 n LEU 59 CO 0.46 0.08 0.45 -1.20 -1.22 0.00 0.00 177.39 175.97 2ka5 n SER 60 N -0.01 0.00 -0.07 -1.43 7.64 -1.15 -2.77 113.62 115.82 2ka5 n SER 60 Ca 0.00 0.40 0.02 0.00 1.01 0.00 0.00 58.87 60.30 2ka5 n SER 60 Cb 0.19 -0.40 -0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2ka5 n SER 60 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ka5 n ASP 61 N -1.40 0.67 -3.88 6.43 8.00 -1.26 -5.03 116.55 120.08 2ka5 n ASP 61 Ca 0.00 -0.84 -0.11 0.00 0.71 0.00 0.00 54.79 54.55 2ka5 n ASP 61 Cb 0.01 0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 41.57 2ka5 n ASP 61 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ka5 s VAL 62 N -0.90 0.08 -0.07 2.53 0.11 -1.11 -4.58 120.40 116.45 2ka5 s VAL 62 Ca 0.03 -0.62 -0.24 0.00 -2.93 0.00 0.00 61.98 58.21 2ka5 s VAL 62 Cb 0.03 -0.37 -0.26 0.00 -1.53 0.00 0.00 36.38 34.25 2ka5 s VAL 62 CO 0.10 -0.34 0.94 -0.08 -3.33 0.00 0.00 175.10 172.39 2ka5 h GLU 63 N 4.59 0.19 -3.37 1.54 4.57 -1.90 -3.47 114.58 116.73 2ka5 h GLU 63 Ca -0.30 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 2ka5 h GLU 63 Cb 1.20 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.79 2ka5 h GLU 63 CO 0.41 1.05 0.02 -1.54 -1.18 0.00 0.00 179.01 177.76 2ka5 s SER 64 N -6.52 -0.19 0.29 1.04 1.04 -1.26 -4.43 113.70 103.67 2ka5 s SER 64 Ca -0.16 -0.70 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 2ka5 s SER 64 Cb 0.00 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2ka5 s SER 64 CO 0.76 -1.16 0.51 -0.51 0.98 0.00 0.00 173.24 173.82 2ka5 s ILE 65 N -3.94 5.10 0.48 -1.02 2.07 -1.26 -5.07 121.20 117.55 2ka5 s ILE 65 Ca 0.15 -0.23 0.06 0.00 -1.41 0.00 0.00 60.65 59.22 2ka5 s ILE 65 Cb -0.02 -3.78 -0.00 0.00 0.13 0.00 0.00 42.46 38.79 2ka5 s ILE 65 CO 0.05 -0.36 0.30 -0.62 -1.91 0.00 0.00 174.94 172.39 2ka5 s ASP 66 N -3.46 4.59 0.26 4.50 -1.08 -1.26 -4.91 116.67 115.32 2ka5 s ASP 66 Ca 0.41 -1.15 -0.03 0.00 -0.52 0.00 0.00 52.55 51.26 2ka5 s ASP 66 Cb -0.10 -0.00 0.38 0.00 -1.46 0.00 0.00 42.92 41.74 2ka5 s ASP 66 CO 0.32 -0.84 1.89 0.28 0.52 0.00 0.00 175.17 177.34 2ka5 h SER 67 N 1.05 1.06 -0.32 -0.34 0.02 -2.00 -0.38 113.55 112.64 2ka5 h SER 67 Ca -0.40 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.62 2ka5 h SER 67 Cb 1.28 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.51 2ka5 h SER 67 CO 0.63 0.70 -0.25 2.19 -1.14 0.00 0.00 176.83 178.95 2ka5 h PHE 68 N 1.21 -0.67 0.00 3.45 -5.15 -2.01 -3.17 116.94 110.61 2ka5 h PHE 68 Ca 0.42 0.04 -0.02 0.00 -0.20 0.00 0.00 57.97 58.21 2ka5 h PHE 68 Cb 0.10 0.34 -0.00 0.00 0.22 0.00 0.00 35.95 36.61 2ka5 h PHE 68 CO -0.00 -0.33 -1.40 -1.13 -2.00 0.00 0.00 178.31 173.46 2ka5 n SER 69 N -5.39 0.56 0.24 -0.68 3.41 -0.92 -3.41 113.62 107.43 2ka5 n SER 69 Ca 0.00 0.22 0.14 0.00 -0.26 0.00 0.00 58.87 58.97 2ka5 n SER 69 Cb 0.30 0.94 0.75 0.00 -0.26 0.00 0.00 64.21 65.94 2ka5 n SER 69 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2ka5 h LEU 70 N 0.00 0.00 -0.28 1.04 5.85 -1.05 0.27 115.31 121.13 2ka5 h LEU 70 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2ka5 h LEU 70 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2ka5 h LEU 70 CO 0.00 0.00 -0.80 0.61 -0.34 0.00 0.00 178.44 177.91 2ka5 n GLY 71 N -1.22 -0.63 0.13 3.75 0.00 -1.22 -4.35 105.19 101.65 2ka5 n GLY 71 Ca -0.02 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 2ka5 n GLY 71 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2ka5 h VAL 72 N 0.67 0.72 -0.90 1.61 3.04 -0.63 -3.32 116.25 117.43 2ka5 h VAL 72 Ca 0.00 -2.42 0.04 0.00 -1.01 0.00 0.00 66.70 63.31 2ka5 h VAL 72 Cb 0.54 2.56 -0.05 0.00 -2.01 0.00 0.00 31.29 32.33 2ka5 h VAL 72 CO 0.00 0.86 0.58 0.40 -1.01 0.00 0.00 177.57 178.40 2ka5 h ILE 73 N 0.07 1.13 -0.67 3.17 1.08 -1.35 -0.29 117.51 120.65 2ka5 h ILE 73 Ca -0.39 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 2ka5 h ILE 73 Cb 2.04 -0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 2ka5 h ILE 73 CO 0.11 0.20 0.38 0.58 -0.69 0.00 0.00 178.15 178.73 2ka5 h VAL 74 N 1.11 1.20 -0.05 1.67 2.07 -1.76 -2.74 116.25 117.76 2ka5 h VAL 74 Ca 0.36 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2ka5 h VAL 74 Cb 0.03 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2ka5 h VAL 74 CO -0.13 0.22 -0.15 0.78 0.02 0.00 0.00 177.57 178.31 2ka5 h ASN 75 N 0.91 0.07 -0.74 0.57 2.35 -1.18 0.72 115.58 118.29 2ka5 h ASN 75 Ca 0.24 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 2ka5 h ASN 75 Cb 0.02 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2ka5 h ASN 75 CO -0.04 0.24 0.22 0.40 -1.65 0.00 0.00 177.43 176.59 2ka5 h ILE 76 N 0.07 1.26 -0.04 2.81 2.04 -1.08 -2.87 117.51 119.71 2ka5 h ILE 76 Ca 0.01 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2ka5 h ILE 76 Cb 0.32 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2ka5 h ILE 76 CO 0.02 0.37 -0.01 0.25 0.00 0.00 0.00 178.15 178.77 2ka5 h LEU 77 N 1.11 0.08 -0.31 1.44 7.12 -0.70 -2.05 115.31 122.00 2ka5 h LEU 77 Ca 0.24 -0.39 0.07 0.00 0.13 0.00 0.00 57.88 57.92 2ka5 h LEU 77 Cb 0.33 -0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.35 2ka5 h LEU 77 CO -0.00 0.46 -0.37 0.11 -0.13 0.00 0.00 178.44 178.50 2ka5 h LYS 78 N -0.29 -0.32 0.00 1.25 1.57 -1.08 0.11 116.57 117.80 2ka5 h LYS 78 Ca 0.01 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 2ka5 h LYS 78 Cb 0.42 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2ka5 h LYS 78 CO 0.00 -0.22 -0.62 0.77 -0.57 0.00 0.00 179.45 178.82 2ka5 h SER 79 N -0.34 0.00 -0.54 0.86 0.02 -1.52 0.07 113.55 112.10 2ka5 h SER 79 Ca 0.13 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2ka5 h SER 79 Cb 0.57 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 2ka5 h SER 79 CO -0.50 0.62 0.33 0.40 -1.14 0.00 0.00 176.83 176.55 2ka5 h ILE 80 N 0.00 1.08 0.00 3.27 2.04 -0.98 0.39 117.51 123.30 2ka5 h ILE 80 Ca -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2ka5 h ILE 80 Cb 1.40 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2ka5 h ILE 80 CO 0.08 0.12 0.00 -1.28 0.00 0.00 0.00 178.15 177.07 2ka5 h SER 81 N 0.67 0.00 0.08 1.72 0.87 -0.13 0.77 113.55 117.52 2ka5 h SER 81 Ca 0.21 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.58 2ka5 h SER 81 Cb -0.01 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2ka5 h SER 81 CO -0.08 0.00 -0.78 0.28 -0.53 0.00 0.00 176.83 175.71 2ka5 h SER 82 N 0.00 0.55 0.07 6.23 0.02 -0.70 -3.38 113.55 116.34 2ka5 h SER 82 Ca 0.00 -0.85 -0.00 0.00 -0.84 0.00 0.00 61.79 60.09 2ka5 h SER 82 Cb 0.67 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2ka5 h SER 82 CO 0.00 1.35 -0.03 0.28 -1.14 0.00 0.00 176.83 177.29 2ka5 h SER 83 N -0.17 -0.08 0.00 3.07 0.02 -0.39 -3.48 113.55 112.53 2ka5 h SER 83 Ca -0.12 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2ka5 h SER 83 Cb 1.54 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.10 2ka5 h SER 83 CO 0.15 0.15 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 2ka5 n GLY 84 N -0.54 0.58 0.76 -3.77 0.00 0.08 -5.09 105.19 97.21 2ka5 n GLY 84 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 2ka5 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka5 n GLY 85 N 0.00 3.62 3.18 -0.02 0.00 -0.14 -5.02 105.19 106.82 2ka5 n GLY 85 Ca 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 2ka5 n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ka5 s PHE 86 N -1.04 1.01 -0.11 1.61 0.40 -0.04 -4.39 117.98 115.42 2ka5 s PHE 86 Ca 0.03 -0.80 -0.14 0.00 -0.60 0.00 0.00 56.93 55.42 2ka5 s PHE 86 Cb -0.00 -0.55 0.03 0.00 0.51 0.00 0.00 43.02 43.01 2ka5 s PHE 86 CO 0.02 -0.06 0.37 0.12 0.70 0.00 0.00 175.22 176.37 2ka5 s PHE 87 N -3.16 -0.37 0.26 0.36 5.36 -1.26 -3.12 117.98 116.05 2ka5 s PHE 87 Ca 0.10 0.87 -0.02 0.00 -0.96 0.00 0.00 56.93 56.92 2ka5 s PHE 87 Cb 0.02 0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.81 2ka5 s PHE 87 CO -0.02 -0.25 0.30 0.00 -1.46 0.00 0.00 175.22 173.79 2ka5 s ALA 88 N -0.13 0.91 0.39 11.12 0.00 -1.14 -3.32 121.76 129.59 2ka5 s ALA 88 Ca -0.03 -1.56 0.08 0.00 0.00 0.00 0.00 51.96 50.45 2ka5 s ALA 88 Cb -0.03 1.29 -0.07 0.00 0.00 0.00 0.00 23.12 24.31 2ka5 s ALA 88 CO 0.01 -0.70 0.02 -0.51 0.00 0.00 0.00 175.76 174.59 2ka5 s LEU 89 N -3.18 2.91 -0.02 0.00 1.43 -0.35 -1.31 118.68 118.15 2ka5 s LEU 89 Ca 0.34 -1.22 -0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2ka5 s LEU 89 Cb 0.03 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 45.19 2ka5 s LEU 89 CO 0.16 -0.38 0.02 -0.69 0.23 0.00 0.00 176.35 175.69 2ka5 s VAL 90 N -2.64 -0.01 -0.81 -1.59 1.01 0.54 -0.66 120.40 116.24 2ka5 s VAL 90 Ca 0.36 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 2ka5 s VAL 90 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.31 2ka5 s VAL 90 CO 0.19 0.11 0.62 -0.24 0.00 0.00 0.00 175.10 175.77 2ka5 n SER 91 N 4.24 -5.36 -4.65 3.32 2.88 0.14 -1.07 113.62 113.12 2ka5 n SER 91 Ca -0.26 -0.81 -0.43 0.00 -1.33 0.00 0.00 58.87 56.04 2ka5 n SER 91 Cb 0.50 -2.31 -0.02 0.00 -0.75 0.00 0.00 64.21 61.63 2ka5 n SER 91 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ka5 s PRO 92 N -4.61 4.12 0.95 -1.46 0.05 -1.26 -2.95 135.00 129.83 2ka5 s PRO 92 Ca 0.00 1.84 -0.12 0.00 0.05 0.00 0.00 61.00 62.78 2ka5 s PRO 92 Cb -0.00 -3.90 0.16 0.00 0.05 0.00 0.00 34.50 30.81 2ka5 s PRO 92 CO 0.87 -0.89 1.09 0.54 0.05 0.00 0.00 177.00 178.66 2ka5 s ASN 93 N 2.95 2.94 0.46 6.66 2.20 -1.26 -4.90 114.94 123.99 2ka5 s ASN 93 Ca 0.65 1.55 0.25 0.00 -0.94 0.00 0.00 52.86 54.36 2ka5 s ASN 93 Cb -0.26 -2.21 1.08 0.00 -2.00 0.00 0.00 41.25 37.86 2ka5 s ASN 93 CO 0.23 -2.98 1.90 -0.08 -2.94 0.00 0.00 177.10 173.23 2ka5 h GLU 94 N -1.79 0.00 -0.23 3.55 4.81 -1.95 -2.62 114.58 116.36 2ka5 h GLU 94 Ca -0.51 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2ka5 h GLU 94 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2ka5 h GLU 94 CO 0.53 0.21 0.02 -0.22 -0.73 0.00 0.00 179.01 178.81 2ka5 h LYS 95 N 0.00 0.40 0.11 1.92 1.63 -1.92 -2.61 116.57 116.10 2ka5 h LYS 95 Ca -0.00 -0.12 -0.29 0.00 -0.85 0.00 0.00 60.65 59.39 2ka5 h LYS 95 Cb 0.62 -0.04 0.02 0.00 -0.60 0.00 0.00 32.23 32.23 2ka5 h LYS 95 CO 0.03 0.56 -1.21 0.28 -3.45 0.00 0.00 179.45 175.65 2ka5 h VAL 96 N 0.18 1.33 -0.99 2.00 2.07 -1.72 -3.23 116.25 115.88 2ka5 h VAL 96 Ca 0.07 -2.55 0.20 0.00 0.82 0.00 0.00 66.70 65.23 2ka5 h VAL 96 Cb 0.37 2.70 -0.10 0.00 -1.52 0.00 0.00 31.29 32.74 2ka5 h VAL 96 CO 0.01 0.77 0.61 -0.33 0.02 0.00 0.00 177.57 178.65 2ka5 h GLU 97 N 0.24 0.67 -0.28 1.57 4.39 -1.49 -0.13 114.58 119.55 2ka5 h GLU 97 Ca -0.17 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.53 2ka5 h GLU 97 Cb 1.89 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 30.32 2ka5 h GLU 97 CO 0.22 0.45 -0.49 -0.09 -1.16 0.00 0.00 179.01 177.95 2ka5 h ARG 98 N 0.70 -0.39 -0.06 2.33 1.12 -1.48 -0.59 114.38 116.01 2ka5 h ARG 98 Ca 0.56 0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 59.42 2ka5 h ARG 98 Cb 0.97 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 31.02 2ka5 h ARG 98 CO -0.34 -0.26 -0.11 0.28 -3.11 0.00 0.00 179.97 176.43 2ka5 h VAL 99 N -0.40 1.41 -0.01 0.20 2.07 -1.27 -1.32 116.25 116.94 2ka5 h VAL 99 Ca 0.05 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2ka5 h VAL 99 Cb 0.55 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2ka5 h VAL 99 CO -0.48 0.39 0.03 -0.07 0.02 0.00 0.00 177.57 177.46 2ka5 h LEU 100 N -0.30 0.00 0.00 2.57 3.38 -1.04 0.20 115.31 120.12 2ka5 h LEU 100 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2ka5 h LEU 100 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2ka5 h LEU 100 CO 0.03 0.00 -0.28 0.28 0.09 0.00 0.00 178.44 178.56 2ka5 h SER 101 N 0.00 0.00 -0.19 -0.43 0.02 -0.60 0.15 113.55 112.50 2ka5 h SER 101 Ca 0.00 -0.70 0.05 0.00 -0.84 0.00 0.00 61.79 60.31 2ka5 h SER 101 Cb 0.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2ka5 h SER 101 CO -0.00 1.01 0.14 -0.07 -1.14 0.00 0.00 176.83 176.77 2ka5 h LEU 102 N -1.00 0.00 -1.14 5.07 3.38 -0.06 -2.85 115.31 118.71 2ka5 h LEU 102 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2ka5 h LEU 102 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2ka5 h LEU 102 CO -0.04 0.00 -0.08 1.07 0.09 0.00 0.00 178.44 179.48 2ka5 n THR 103 N -4.33 0.00 -3.08 0.22 5.66 0.58 -5.04 114.28 108.29 2ka5 n THR 103 Ca 0.01 -0.46 -0.17 0.00 -3.05 0.00 0.00 64.05 60.39 2ka5 n THR 103 Cb 0.28 1.17 0.02 0.00 -1.55 0.00 0.00 70.33 70.25 2ka5 n THR 103 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ka5 n ASN 104 N 0.25 -7.17 0.00 1.09 3.02 -1.02 -5.01 115.26 106.42 2ka5 n ASN 104 Ca 0.05 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 2ka5 n ASN 104 Cb 0.23 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.17 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2ka5 n LEU 105 N -0.46 0.15 0.07 3.41 -0.00 0.48 -4.70 117.00 115.95 2ka5 n LEU 105 Ca 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.13 2ka5 n LEU 105 Cb 0.53 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 44.31 2ka5 n LEU 105 CO 0.51 -0.05 0.75 -0.90 -0.00 0.00 0.00 177.39 177.70 2ka5 n ASP 106 N -2.88 0.30 -0.45 1.96 5.75 -1.13 -1.52 116.55 118.57 2ka5 n ASP 106 Ca 0.00 0.59 0.14 0.00 -0.01 0.00 0.00 54.79 55.51 2ka5 n ASP 106 Cb 0.42 -0.65 0.49 0.00 -1.03 0.00 0.00 41.12 40.36 2ka5 n ASP 106 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2ka5 n ARG 107 N -1.85 1.55 0.00 0.11 1.74 -1.26 -4.43 116.66 112.52 2ka5 n ARG 107 Ca 0.02 -0.91 0.00 0.00 -0.77 0.00 0.00 57.85 56.19 2ka5 n ARG 107 Cb 0.15 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2ka5 n ARG 107 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2ka5 n ILE 108 N 0.07 0.00 -3.88 0.55 2.08 -0.58 -5.04 119.36 112.55 2ka5 n ILE 108 Ca 0.18 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.23 2ka5 n ILE 108 Cb 0.36 -0.74 -0.03 0.00 -0.75 0.00 0.00 39.64 38.48 2ka5 n ILE 108 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2ka5 s VAL 109 N -1.82 5.29 0.77 1.39 1.01 -0.58 -5.10 120.40 121.37 2ka5 s VAL 109 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 2ka5 s VAL 109 Cb 0.00 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.69 2ka5 s VAL 109 CO 0.00 -0.12 1.10 -0.54 0.00 0.00 0.00 175.10 175.53 2ka5 s LYS 110 N -3.29 2.30 -0.05 2.72 -0.14 -1.21 -4.63 119.74 115.43 2ka5 s LYS 110 Ca 0.35 0.58 -0.06 0.00 -1.36 0.00 0.00 55.97 55.49 2ka5 s LYS 110 Cb -0.11 -1.95 0.01 0.00 -1.68 0.00 0.00 37.83 34.11 2ka5 s LYS 110 CO 0.29 -1.46 0.15 0.42 -0.76 0.00 0.00 175.35 173.99 2ka5 s ILE 111 N -3.22 0.02 0.15 2.17 1.09 -1.26 -1.21 121.20 118.93 2ka5 s ILE 111 Ca 0.60 -0.13 -0.06 0.00 -1.10 0.00 0.00 60.65 59.96 2ka5 s ILE 111 Cb -0.13 -0.27 -0.02 0.00 -1.06 0.00 0.00 42.46 40.98 2ka5 s ILE 111 CO 0.53 -0.07 0.20 -0.31 -0.10 0.00 0.00 174.94 175.20 2ka5 s TYR 112 N -0.19 0.53 -0.21 3.97 2.02 0.17 -4.86 117.35 118.78 2ka5 s TYR 112 Ca -0.03 -0.90 -0.16 0.00 -0.37 0.00 0.00 57.07 55.61 2ka5 s TYR 112 Cb -0.02 -0.19 -0.10 0.00 -0.40 0.00 0.00 41.96 41.24 2ka5 s TYR 112 CO 0.00 -0.64 -0.16 -0.25 -1.57 0.00 0.00 175.55 172.93 2ka5 n ASP 113 N -0.16 1.89 -4.78 2.29 8.00 -1.26 -0.69 116.55 121.84 2ka5 n ASP 113 Ca -0.07 0.43 -0.24 0.00 0.71 0.00 0.00 54.79 55.62 2ka5 n ASP 113 Cb 0.63 -0.85 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 2ka5 n ASP 113 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ka5 s THR 114 N -2.50 4.29 0.35 -3.53 -4.23 -1.26 -1.79 115.64 106.98 2ka5 s THR 114 Ca -0.28 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 2ka5 s THR 114 Cb 0.07 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.93 2ka5 s THR 114 CO 0.44 -0.24 1.98 0.40 -0.54 0.00 0.00 174.62 176.66 2ka5 h ILE 115 N 1.83 1.09 -0.81 2.99 1.08 -1.97 -2.44 117.51 119.29 2ka5 h ILE 115 Ca -0.48 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2ka5 h ILE 115 Cb 1.22 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 35.11 2ka5 h ILE 115 CO 0.61 0.15 0.49 -1.28 -0.69 0.00 0.00 178.15 177.44 2ka5 h SER 116 N 0.84 0.97 1.10 1.72 0.87 -1.99 0.49 113.55 117.54 2ka5 h SER 116 Ca 0.29 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2ka5 h SER 116 Cb 0.09 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2ka5 h SER 116 CO -0.08 0.74 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.54 2ka5 h GLU 117 N 1.11 0.00 0.01 2.24 5.08 -1.85 -2.60 114.58 118.57 2ka5 h GLU 117 Ca 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2ka5 h GLU 117 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2ka5 h GLU 117 CO -0.06 0.09 -0.00 0.00 -1.00 0.00 0.00 179.01 178.04 2ka5 h ALA 118 N 1.91 -0.01 -0.32 3.43 0.00 -1.15 -3.34 119.26 119.78 2ka5 h ALA 118 Ca -0.00 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2ka5 h ALA 118 Cb 0.66 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2ka5 h ALA 118 CO 0.01 -0.02 -0.53 1.98 0.00 0.00 0.00 179.25 180.69 2ka5 h MET 119 N -0.99 -0.43 0.00 0.00 4.05 -0.54 0.29 114.93 117.32 2ka5 h MET 119 Ca -0.00 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2ka5 h MET 119 Cb 0.59 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 2ka5 h MET 119 CO 0.00 -0.29 0.00 1.05 0.23 0.00 0.00 176.91 177.91 2ka5 h GLU 120 N -0.44 0.00 0.00 0.39 4.11 -1.79 -3.33 114.58 113.52 2ka5 h GLU 120 Ca 0.07 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.34 2ka5 h GLU 120 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2ka5 h GLU 120 CO -0.54 0.00 -0.94 1.49 0.07 0.00 0.00 179.01 179.09 2ka5 h GLU 121 N 0.00 0.00 -1.01 1.06 4.81 -0.67 -3.36 114.58 115.42 2ka5 h GLU 121 Ca 0.00 0.00 0.25 0.00 -0.13 0.00 0.00 59.36 59.48 2ka5 h GLU 121 Cb 0.75 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.01 2ka5 h GLU 121 CO 0.00 0.85 0.61 0.28 -0.73 0.00 0.00 179.01 180.02 2ka5 h VAL 122 N -1.00 0.54 -0.88 0.32 2.07 -1.02 0.67 116.25 116.94 2ka5 h VAL 122 Ca -0.24 -0.19 0.22 0.00 0.82 0.00 0.00 66.70 67.30 2ka5 h VAL 122 Cb 1.12 -0.07 -0.13 0.00 -1.52 0.00 0.00 31.29 30.70 2ka5 h VAL 122 CO -0.15 0.10 0.36 0.03 0.02 0.00 0.00 177.57 177.93 2ka5 h ARG 123 N 0.56 0.35 -0.20 1.57 2.47 -1.70 -3.24 114.38 114.19 2ka5 h ARG 123 Ca 0.64 -0.02 -0.21 0.00 -1.26 0.00 0.00 59.98 59.13 2ka5 h ARG 123 Cb 1.26 -0.08 -0.33 0.00 -1.65 0.00 0.00 29.97 29.18 2ka5 h ARG 123 CO -0.45 0.23 -0.94 0.54 0.56 0.00 0.00 179.97 179.92 2ka5 n ARG 124 N -5.08 1.17 0.00 0.04 1.74 0.18 -5.16 116.66 109.55 2ka5 n ARG 124 Ca 0.22 -2.89 0.00 0.00 -0.77 0.00 0.00 57.85 54.40 2ka5 n ARG 124 Cb 0.65 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 31.10 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47