#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 1.68 1.24 3.03 0.00 -1.26 -5.06 105.19 104.81 2ka5 n GLY 2 Ca 0.00 -0.33 0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 4.56 -7.19 -4.36 1.61 7.64 -1.26 -4.55 113.62 110.07 2ka5 n SER 3 Ca 0.00 1.01 -0.33 0.00 1.01 0.00 0.00 58.87 60.56 2ka5 n SER 3 Cb 0.00 -4.09 0.13 0.00 -1.01 0.00 0.00 64.21 59.24 2ka5 n SER 3 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2ka5 n ASP 4 N -4.04 -2.31 -0.90 6.43 5.68 -1.26 -3.82 116.55 116.33 2ka5 n ASP 4 Ca -0.05 0.20 -0.11 0.00 -0.50 0.00 0.00 54.79 54.33 2ka5 n ASP 4 Cb 0.58 -1.12 -0.05 0.00 -1.14 0.00 0.00 41.12 39.39 2ka5 n ASP 4 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2ka5 n LYS 5 N -1.62 -1.67 -0.34 0.11 4.81 -1.26 -4.87 118.16 113.32 2ka5 n LYS 5 Ca 0.05 0.85 0.24 0.00 -0.87 0.00 0.00 58.31 58.58 2ka5 n LYS 5 Cb 0.56 -5.20 0.52 0.00 0.02 0.00 0.00 35.03 30.94 2ka5 n LYS 5 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 2ka5 h ILE 6 N 0.00 0.47 0.00 3.15 2.10 -1.80 -3.40 117.51 118.03 2ka5 h ILE 6 Ca -0.23 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.59 2ka5 h ILE 6 Cb 1.11 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 2ka5 h ILE 6 CO 0.33 0.06 0.00 1.57 -1.08 0.00 0.00 178.15 179.04 2ka5 n HIS 7 N -4.65 0.00 -4.09 2.19 -0.00 -1.26 -5.10 115.22 102.30 2ka5 n HIS 7 Ca 0.27 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.93 2ka5 n HIS 7 Cb 0.95 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.92 2ka5 n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ka5 n HIS 8 N -0.52 -0.22 -4.18 1.57 -0.00 -1.26 -5.19 115.22 105.42 2ka5 n HIS 8 Ca 0.00 -0.85 -0.15 0.00 0.46 0.00 0.00 57.72 57.18 2ka5 n HIS 8 Cb 0.00 0.08 -0.11 0.00 -0.12 0.00 0.00 29.99 29.84 2ka5 n HIS 8 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ka5 s HIS 9 N -2.38 1.10 0.03 1.57 3.76 -1.26 -4.99 115.29 113.12 2ka5 s HIS 9 Ca 0.12 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 54.40 2ka5 s HIS 9 Cb 0.01 -0.60 -0.02 0.00 1.11 0.00 0.00 32.58 33.08 2ka5 s HIS 9 CO 0.08 0.02 0.02 -1.01 -0.85 0.00 0.00 174.74 173.01 2ka5 s HIS 10 N -2.14 0.26 -0.56 1.40 3.76 -1.26 -4.96 115.29 111.78 2ka5 s HIS 10 Ca 0.04 -0.55 -0.18 0.00 -0.15 0.00 0.00 55.06 54.22 2ka5 s HIS 10 Cb -0.05 -0.19 0.03 0.00 1.11 0.00 0.00 32.58 33.48 2ka5 s HIS 10 CO 0.01 -0.27 0.64 1.58 -0.85 0.00 0.00 174.74 175.85 2ka5 n HIS 11 N 1.16 -2.91 -3.84 1.40 -0.00 -1.26 -5.05 115.22 104.72 2ka5 n HIS 11 Ca -0.21 1.18 -0.21 0.00 -0.00 0.00 0.00 57.72 58.47 2ka5 n HIS 11 Cb 0.57 -3.15 -0.17 0.00 -0.00 0.00 0.00 29.99 27.23 2ka5 n HIS 11 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ka5 s HIS 12 N -2.39 0.59 -0.46 1.57 5.04 -1.26 -5.10 115.29 113.28 2ka5 s HIS 12 Ca 0.20 -0.12 0.02 0.00 -1.54 0.00 0.00 55.06 53.62 2ka5 s HIS 12 Cb -0.04 -0.70 0.12 0.00 0.04 0.00 0.00 32.58 32.00 2ka5 s HIS 12 CO 0.82 -0.27 0.21 -1.64 -2.34 0.00 0.00 174.74 171.52 2ka5 s MET 13 N 1.70 1.91 1.12 2.88 -1.94 -1.26 -5.10 119.30 118.61 2ka5 s MET 13 Ca 0.01 -2.21 -0.16 0.00 -1.71 0.00 0.00 55.69 51.61 2ka5 s MET 13 Cb -0.13 -3.40 0.17 0.00 2.01 0.00 0.00 34.83 33.48 2ka5 s MET 13 CO -0.04 -1.06 0.42 1.19 -0.01 0.00 0.00 175.02 175.53 2ka5 n PHE 14 N 3.83 -1.30 -1.87 -0.03 3.01 -1.26 -4.87 117.46 114.97 2ka5 n PHE 14 Ca 0.04 0.05 -0.35 0.00 1.01 0.00 0.00 57.45 58.21 2ka5 n PHE 14 Cb 0.38 -1.64 -0.04 0.00 -0.01 0.00 0.00 39.48 38.17 2ka5 n PHE 14 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2ka5 s PRO 15 N -3.83 2.39 0.18 -1.08 0.04 -1.26 -4.91 135.00 126.54 2ka5 s PRO 15 Ca 0.61 0.72 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 2ka5 s PRO 15 Cb -0.18 -4.56 -0.02 0.00 0.04 0.00 0.00 34.50 29.79 2ka5 s PRO 15 CO 0.66 -3.10 0.26 1.52 0.04 0.00 0.00 177.00 176.38 2ka5 s TYR 16 N 10.52 0.60 0.30 0.56 -0.85 -1.26 -1.65 117.35 125.57 2ka5 s TYR 16 Ca 0.78 -0.94 0.02 0.00 -0.52 0.00 0.00 57.07 56.41 2ka5 s TYR 16 Cb -0.13 -0.17 -0.05 0.00 0.38 0.00 0.00 41.96 41.99 2ka5 s TYR 16 CO 0.19 -0.73 0.09 -1.59 -1.52 0.00 0.00 175.55 171.99 2ka5 s LYS 17 N -4.03 1.55 -0.21 -3.49 -2.85 0.04 -4.97 119.74 105.78 2ka5 s LYS 17 Ca 0.23 -1.86 -0.01 0.00 -1.00 0.00 0.00 55.97 53.33 2ka5 s LYS 17 Cb 0.04 -0.49 0.06 0.00 -2.06 0.00 0.00 37.83 35.38 2ka5 s LYS 17 CO 0.04 -0.29 -0.02 0.42 0.10 0.00 0.00 175.35 175.61 2ka5 s ILE 18 N -3.54 1.08 0.00 3.79 1.01 -1.26 -1.45 121.20 120.82 2ka5 s ILE 18 Ca 0.36 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2ka5 s ILE 18 Cb 0.07 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 41.11 2ka5 s ILE 18 CO 0.15 -0.12 0.00 1.33 0.00 0.00 0.00 174.94 176.30 2ka5 n VAL 19 N 4.84 0.00 0.00 2.92 0.24 -0.80 -5.00 118.33 120.53 2ka5 n VAL 19 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2ka5 n VAL 19 Cb 0.46 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 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 -0.24 -1.34 -0.08 -1.26 -4.54 116.55 109.09 2ka5 n ASP 20 Ca 0.00 0.56 0.01 0.00 -1.51 0.00 0.00 54.79 53.85 2ka5 n ASP 20 Cb 0.00 -0.06 0.01 0.00 2.34 0.00 0.00 41.12 43.40 2ka5 n ASP 20 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2ka5 n ASP 21 N -1.09 0.24 -4.22 1.67 8.00 -1.26 -5.09 116.55 114.81 2ka5 n ASP 21 Ca 0.00 -1.65 -0.30 0.00 0.71 0.00 0.00 54.79 53.55 2ka5 n ASP 21 Cb 0.00 -0.12 -0.17 0.00 -0.02 0.00 0.00 41.12 40.82 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ka5 s VAL 22 N -0.22 1.89 -0.10 2.53 1.01 -1.26 -4.32 120.40 119.92 2ka5 s VAL 22 Ca 0.02 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 2ka5 s VAL 22 Cb 0.02 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2ka5 s VAL 22 CO 0.00 0.53 0.46 -0.69 0.00 0.00 0.00 175.10 175.40 2ka5 s VAL 23 N 0.06 5.17 -0.38 2.92 1.01 -0.76 -1.91 120.40 126.51 2ka5 s VAL 23 Ca -0.08 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 2ka5 s VAL 23 Cb -0.15 -3.80 0.09 0.00 0.00 0.00 0.00 36.38 32.52 2ka5 s VAL 23 CO 0.05 0.36 0.16 -0.63 0.00 0.00 0.00 175.10 175.03 2ka5 s ILE 24 N 0.41 3.36 0.23 2.22 1.09 -0.53 -0.49 121.20 127.49 2ka5 s ILE 24 Ca 0.25 -1.76 -0.30 0.00 -1.10 0.00 0.00 60.65 57.75 2ka5 s ILE 24 Cb -0.15 -3.16 -0.09 0.00 -1.06 0.00 0.00 42.46 38.00 2ka5 s ILE 24 CO 0.10 -0.50 1.17 -0.76 -0.10 0.00 0.00 174.94 174.86 2ka5 s LEU 25 N 1.22 4.48 -0.41 2.97 2.01 -0.86 -0.78 118.68 127.31 2ka5 s LEU 25 Ca 0.04 2.29 0.04 0.00 0.01 0.00 0.00 54.13 56.51 2ka5 s LEU 25 Cb -0.22 -3.62 0.17 0.00 0.01 0.00 0.00 46.19 42.53 2ka5 s LEU 25 CO -0.02 -0.31 0.34 0.23 1.01 0.00 0.00 176.35 177.60 2ka5 n MET 26 N 1.85 0.18 0.00 1.70 2.81 -0.66 -3.00 117.12 120.01 2ka5 n MET 26 Ca 0.02 -3.17 0.00 0.00 -1.81 0.00 0.00 57.70 52.74 2ka5 n MET 26 Cb 0.44 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2ka5 n MET 26 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2ka5 n PRO 27 N 2.84 0.00 0.00 0.03 -0.04 -1.26 -4.64 135.00 131.93 2ka5 n PRO 27 Ca 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2ka5 n PRO 27 Cb 0.48 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 2ka5 n PRO 27 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ka5 n ASN 28 N 0.00 0.00 -0.61 3.54 6.94 -1.26 -4.91 115.26 118.96 2ka5 n ASN 28 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.62 2ka5 n ASN 28 Cb 0.00 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 37.54 2ka5 n ASN 28 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2ka5 n LYS 29 N 0.00 0.95 0.22 -3.83 4.01 -1.26 -3.84 118.16 114.41 2ka5 n LYS 29 Ca 0.00 -2.50 0.16 0.00 -0.51 0.00 0.00 58.31 55.46 2ka5 n LYS 29 Cb 0.00 -1.10 0.77 0.00 -0.51 0.00 0.00 35.03 34.19 2ka5 n LYS 29 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2ka5 h GLU 30 N 0.57 0.00 -4.09 1.97 4.39 -1.96 -3.30 114.58 112.16 2ka5 h GLU 30 Ca -0.05 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.02 2ka5 h GLU 30 Cb 1.24 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.90 2ka5 h GLU 30 CO 0.02 0.00 2.70 1.28 -1.16 0.00 0.00 179.01 181.85 2ka5 n LEU 31 N -2.61 5.35 0.00 1.33 4.32 -1.26 -3.75 117.00 120.39 2ka5 n LEU 31 Ca -0.01 -3.36 0.00 0.00 -0.02 0.00 0.00 56.01 52.62 2ka5 n LEU 31 Cb 0.12 -1.30 0.00 0.00 -1.62 0.00 0.00 43.42 40.61 2ka5 n LEU 31 CO 0.17 0.38 0.38 -0.46 -1.22 0.00 0.00 177.39 176.63 2ka5 n ASN 32 N 6.35 1.34 0.00 -1.43 0.23 -1.25 -4.62 115.26 115.89 2ka5 n ASN 32 Ca 0.52 -1.57 0.00 0.00 -0.53 0.00 0.00 54.58 52.99 2ka5 n ASN 32 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 2ka5 n ASN 32 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ka5 n ILE 33 N -0.29 0.00 0.31 1.53 0.00 -1.26 -4.90 119.36 114.76 2ka5 n ILE 33 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 62.75 62.90 2ka5 n ILE 33 Cb 0.24 0.00 0.57 0.00 0.00 0.00 0.00 39.64 40.45 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 1.29 0.00 0.00 9.51 5.08 -1.94 -2.57 114.58 125.95 2ka5 h GLU 34 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 2ka5 h GLU 34 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2ka5 h GLU 34 CO 0.00 0.00 -2.33 0.27 -1.00 0.00 0.00 179.01 175.95 2ka5 n ASN 35 N -2.88 0.32 -0.20 1.42 6.94 -1.25 -4.77 115.26 114.84 2ka5 n ASN 35 Ca 0.02 0.03 -0.09 0.00 -0.02 0.00 0.00 54.58 54.51 2ka5 n ASN 35 Cb 0.33 0.73 0.02 0.00 -2.36 0.00 0.00 39.78 38.49 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ka5 h ALA 36 N 0.88 0.75 -0.46 -2.53 0.00 -1.72 0.75 119.26 116.93 2ka5 h ALA 36 Ca -0.53 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 2ka5 h ALA 36 Cb 2.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 2ka5 h ALA 36 CO 0.02 0.49 0.13 1.25 0.00 0.00 0.00 179.25 181.14 2ka5 h HIS 37 N 0.83 0.75 0.00 0.00 -0.00 -1.86 -2.76 115.15 112.11 2ka5 h HIS 37 Ca 0.17 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.41 2ka5 h HIS 37 Cb 0.41 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2ka5 h HIS 37 CO 0.03 0.68 -0.21 1.37 -0.00 0.00 0.00 177.93 179.80 2ka5 h LEU 38 N 0.61 0.00 -0.87 0.26 8.10 -1.79 -3.39 115.31 118.24 2ka5 h LEU 38 Ca 0.15 0.00 0.14 0.00 0.11 0.00 0.00 57.88 58.27 2ka5 h LEU 38 Cb 0.29 0.00 -0.14 0.00 -0.44 0.00 0.00 40.66 40.37 2ka5 h LEU 38 CO -0.00 0.21 -0.38 0.15 -4.11 0.00 0.00 178.44 174.31 2ka5 h PHE 39 N 0.00 -1.06 -0.39 0.17 3.57 -0.55 0.15 116.94 118.83 2ka5 h PHE 39 Ca -0.00 0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 2ka5 h PHE 39 Cb 1.06 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 2ka5 h PHE 39 CO 0.00 -0.40 -0.26 1.57 -2.23 0.00 0.00 178.31 176.99 2ka5 h LYS 40 N -0.05 0.86 -0.63 1.11 2.10 -1.75 -0.47 116.57 117.74 2ka5 h LYS 40 Ca 0.31 -0.41 0.03 0.00 -2.00 0.00 0.00 60.65 58.57 2ka5 h LYS 40 Cb 0.58 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.86 2ka5 h LYS 40 CO -0.89 1.05 0.39 0.87 -2.00 0.00 0.00 179.45 178.87 2ka5 h LYS 41 N 0.67 0.74 0.32 0.07 6.56 -1.04 0.20 116.57 124.09 2ka5 h LYS 41 Ca 0.08 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 2ka5 h LYS 41 Cb 0.84 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 32.33 2ka5 h LYS 41 CO 0.07 0.49 -0.19 2.35 -2.06 0.00 0.00 179.45 180.11 2ka5 h TRP 42 N 0.76 -0.51 -1.01 -1.35 7.01 -1.02 -2.50 115.95 117.33 2ka5 h TRP 42 Ca 0.25 -0.01 0.24 0.00 2.11 0.00 0.00 58.89 61.49 2ka5 h TRP 42 Cb 0.02 0.18 -0.11 0.00 -2.10 0.00 0.00 29.16 27.15 2ka5 h TRP 42 CO -0.05 -0.29 0.63 0.28 -2.79 0.00 0.00 178.44 176.22 2ka5 h VAL 43 N -0.48 0.57 0.72 2.65 2.07 -0.72 0.17 116.25 121.23 2ka5 h VAL 43 Ca -0.04 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2ka5 h VAL 43 Cb 0.38 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2ka5 h VAL 43 CO 0.05 0.10 -0.35 -0.26 0.02 0.00 0.00 177.57 177.13 2ka5 h PHE 44 N 0.54 -0.90 -0.20 1.57 -1.00 -0.59 -1.77 116.94 114.60 2ka5 h PHE 44 Ca 0.60 -0.02 -0.10 0.00 2.81 0.00 0.00 57.97 61.26 2ka5 h PHE 44 Cb 1.27 0.30 -0.00 0.00 3.61 0.00 0.00 35.95 41.12 2ka5 h PHE 44 CO -0.00 -0.56 -0.28 -0.44 -1.61 0.00 0.00 178.31 175.42 2ka5 h ASP 45 N -0.99 0.58 -0.34 2.17 3.32 -0.89 0.31 116.42 120.58 2ka5 h ASP 45 Ca -0.10 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.43 2ka5 h ASP 45 Cb 0.74 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2ka5 h ASP 45 CO 0.16 0.98 0.19 -0.08 -1.72 0.00 0.00 179.24 178.77 2ka5 h GLU 46 N 0.20 0.51 0.00 3.56 4.57 -0.79 -3.34 114.58 119.29 2ka5 h GLU 46 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2ka5 h GLU 46 Cb 0.85 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2ka5 h GLU 46 CO 0.06 0.39 -0.13 1.19 -1.18 0.00 0.00 179.01 179.34 2ka5 n PHE 47 N -4.42 -0.56 -0.18 0.92 3.72 -0.73 -4.62 117.46 111.58 2ka5 n PHE 47 Ca 0.02 0.10 -0.04 0.00 -0.05 0.00 0.00 57.45 57.49 2ka5 n PHE 47 Cb 0.11 0.43 0.16 0.00 -0.94 0.00 0.00 39.48 39.24 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 0.88 -0.03 4.37 3.38 -0.39 0.07 115.31 123.59 2ka5 h LEU 48 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2ka5 h LEU 48 Cb 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2ka5 h LEU 48 CO 0.00 0.82 -0.22 0.59 0.09 0.00 0.00 178.44 179.72 2ka5 n ASN 49 N -4.28 0.26 -0.13 -0.43 3.02 0.93 -1.09 115.26 113.54 2ka5 n ASN 49 Ca 0.05 0.06 0.10 0.00 -0.03 0.00 0.00 54.58 54.77 2ka5 n ASN 49 Cb 0.21 -0.14 0.54 0.00 -0.61 0.00 0.00 39.78 39.78 2ka5 n ASN 49 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ka5 n LYS 50 N -1.44 1.18 -0.99 3.52 5.02 -0.30 -4.95 118.16 120.21 2ka5 n LYS 50 Ca 0.07 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 2ka5 n LYS 50 Cb 0.33 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2ka5 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ka5 n GLY 51 N 0.89 0.74 3.61 0.72 0.00 -0.25 -4.99 105.19 105.92 2ka5 n GLY 51 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.02 1.95 -0.55 1.61 2.02 -0.14 -4.85 117.35 114.37 2ka5 s TYR 52 Ca 0.00 0.57 0.15 0.00 -0.37 0.00 0.00 57.07 57.42 2ka5 s TYR 52 Cb 0.00 -4.08 0.55 0.00 -0.40 0.00 0.00 41.96 38.03 2ka5 s TYR 52 CO 0.00 -2.96 1.46 0.09 -1.57 0.00 0.00 175.55 172.58 2ka5 n ASN 53 N 9.36 4.06 -3.90 2.29 3.02 -1.26 -4.12 115.26 124.72 2ka5 n ASN 53 Ca 0.21 -2.66 -0.23 0.00 -0.03 0.00 0.00 54.58 51.87 2ka5 n ASN 53 Cb 0.46 -0.50 -0.17 0.00 -0.61 0.00 0.00 39.78 38.97 2ka5 n ASN 53 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ka5 s LYS 54 N -2.21 1.10 0.19 3.52 1.02 -1.26 -0.92 119.74 121.18 2ka5 s LYS 54 Ca 0.41 -0.16 0.06 0.00 0.02 0.00 0.00 55.97 56.31 2ka5 s LYS 54 Cb 0.30 -1.13 -0.05 0.00 -0.52 0.00 0.00 37.83 36.44 2ka5 s LYS 54 CO 0.14 -0.14 -0.12 0.42 -0.92 0.00 0.00 175.35 174.73 2ka5 s ILE 55 N 1.21 1.52 0.13 2.17 1.01 -1.21 -1.83 121.20 124.21 2ka5 s ILE 55 Ca -0.06 -2.15 0.04 0.00 0.00 0.00 0.00 60.65 58.48 2ka5 s ILE 55 Cb -0.14 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 2ka5 s ILE 55 CO -0.02 -0.64 -0.10 -0.36 0.00 0.00 0.00 174.94 173.82 2ka5 s PHE 56 N -3.11 1.18 -0.49 3.97 0.08 0.36 -3.28 117.98 116.69 2ka5 s PHE 56 Ca 0.21 -0.76 0.03 0.00 0.12 0.00 0.00 56.93 56.52 2ka5 s PHE 56 Cb 0.01 -0.62 0.14 0.00 -0.57 0.00 0.00 43.02 41.98 2ka5 s PHE 56 CO 0.05 0.04 0.30 -1.17 -0.10 0.00 0.00 175.22 174.33 2ka5 s LEU 57 N -3.03 3.13 0.66 -0.37 2.96 -0.77 -2.03 118.68 119.23 2ka5 s LEU 57 Ca 0.14 -2.93 -0.17 0.00 -0.22 0.00 0.00 54.13 50.95 2ka5 s LEU 57 Cb 0.02 -1.15 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 2ka5 s LEU 57 CO -0.00 -0.22 0.67 0.52 -1.32 0.00 0.00 176.35 176.00 2ka5 n VAL 58 N 3.14 2.48 -1.66 1.68 0.31 -1.16 -2.34 118.33 120.78 2ka5 n VAL 58 Ca 0.12 -0.45 0.02 0.00 -0.01 0.00 0.00 64.34 64.03 2ka5 n VAL 58 Cb 0.36 -0.85 0.03 0.00 -0.91 0.00 0.00 33.84 32.46 2ka5 n VAL 58 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ka5 n LEU 59 N -0.36 0.50 0.06 7.52 4.77 0.13 -4.60 117.00 125.02 2ka5 n LEU 59 Ca 0.12 -1.32 -0.11 0.00 -0.03 0.00 0.00 56.01 54.67 2ka5 n LEU 59 Cb 0.49 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 2ka5 n LEU 59 CO 0.50 0.32 0.69 0.28 -1.33 0.00 0.00 177.39 177.85 2ka5 h SER 60 N 0.00 -0.76 -0.63 -1.43 0.02 -1.72 0.02 113.55 109.06 2ka5 h SER 60 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2ka5 h SER 60 Cb 1.26 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.11 2ka5 h SER 60 CO 0.00 -0.33 0.00 -0.67 -1.14 0.00 0.00 176.83 174.69 2ka5 n ASP 61 N -5.37 3.45 -4.33 3.07 -0.08 -1.26 -4.80 116.55 107.22 2ka5 n ASP 61 Ca -0.05 -1.99 -0.46 0.00 -1.51 0.00 0.00 54.79 50.78 2ka5 n ASP 61 Cb 0.29 -0.42 -0.05 0.00 2.34 0.00 0.00 41.12 43.28 2ka5 n ASP 61 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2ka5 s VAL 62 N -1.16 5.11 0.11 5.18 1.01 -0.01 -4.60 120.40 126.04 2ka5 s VAL 62 Ca 0.43 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2ka5 s VAL 62 Cb 0.23 -4.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 2ka5 s VAL 62 CO 0.30 -0.91 1.72 -0.08 0.00 0.00 0.00 175.10 176.13 2ka5 h GLU 63 N 8.95 0.02 -3.50 2.72 4.81 -1.78 -3.46 114.58 122.34 2ka5 h GLU 63 Ca -0.30 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2ka5 h GLU 63 Cb 1.10 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.36 2ka5 h GLU 63 CO 1.04 0.01 -0.09 0.45 -0.73 0.00 0.00 179.01 179.69 2ka5 s SER 64 N -5.21 -0.16 0.07 1.04 0.15 -1.26 -4.24 113.70 104.10 2ka5 s SER 64 Ca -0.13 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2ka5 s SER 64 Cb 0.08 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2ka5 s SER 64 CO 0.67 -0.98 0.00 0.00 1.20 0.00 0.00 173.24 174.13 2ka5 n ILE 65 N -0.29 0.00 -4.09 6.45 3.06 -1.26 -4.83 119.36 118.40 2ka5 n ILE 65 Ca -0.10 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.05 2ka5 n ILE 65 Cb 0.63 -1.25 -0.09 0.00 0.54 0.00 0.00 39.64 39.47 2ka5 n ILE 65 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2ka5 s ASP 66 N -1.00 0.16 0.47 9.51 2.15 -1.26 -5.02 116.67 121.68 2ka5 s ASP 66 Ca 0.00 -1.12 0.21 0.00 0.43 0.00 0.00 52.55 52.07 2ka5 s ASP 66 Cb 0.00 0.38 1.22 0.00 -0.30 0.00 0.00 42.92 44.22 2ka5 s ASP 66 CO 0.00 -0.83 1.91 -1.28 -0.17 0.00 0.00 175.17 174.80 2ka5 h SER 67 N 2.67 0.24 0.70 -0.34 0.87 -2.00 -0.51 113.55 115.17 2ka5 h SER 67 Ca -0.34 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 2ka5 h SER 67 Cb 1.22 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2ka5 h SER 67 CO 0.53 0.11 -0.34 0.15 -0.53 0.00 0.00 176.83 176.75 2ka5 h PHE 68 N 0.24 -0.87 0.00 2.24 3.57 -2.01 -3.38 116.94 116.73 2ka5 h PHE 68 Ca 0.39 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2ka5 h PHE 68 Cb 1.15 0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.18 2ka5 h PHE 68 CO -0.00 -0.54 -0.00 0.66 -2.23 0.00 0.00 178.31 176.19 2ka5 h SER 69 N -1.24 0.00 -0.62 0.41 4.64 -1.78 -2.66 113.55 112.30 2ka5 h SER 69 Ca -0.10 -0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.35 2ka5 h SER 69 Cb 0.72 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 2ka5 h SER 69 CO 0.16 0.00 0.42 -0.07 -0.87 0.00 0.00 176.83 176.47 2ka5 h LEU 70 N 0.00 0.26 -0.24 5.97 3.38 -1.29 0.97 115.31 124.35 2ka5 h LEU 70 Ca 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2ka5 h LEU 70 Cb 0.97 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2ka5 h LEU 70 CO 0.00 0.14 -0.20 1.23 0.09 0.00 0.00 178.44 179.71 2ka5 h GLY 71 N 0.28 0.61 1.75 0.83 0.00 -1.66 -3.31 103.07 101.57 2ka5 h GLY 71 Ca 0.30 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 2ka5 h GLY 71 CO -0.07 0.54 -0.51 -0.24 0.00 0.00 0.00 176.54 176.26 2ka5 h VAL 72 N 0.26 1.35 0.23 4.60 3.04 -0.90 0.07 116.25 124.90 2ka5 h VAL 72 Ca 0.04 -1.77 -0.00 0.00 -1.01 0.00 0.00 66.70 63.97 2ka5 h VAL 72 Cb 0.74 1.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.85 2ka5 h VAL 72 CO 0.05 0.53 -0.17 0.40 -1.01 0.00 0.00 177.57 177.37 2ka5 h ILE 73 N 0.21 0.63 -0.83 3.17 5.03 -1.37 -0.44 117.51 123.91 2ka5 h ILE 73 Ca 0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.74 2ka5 h ILE 73 Cb 0.98 0.63 -0.04 0.00 -3.03 0.00 0.00 36.82 35.36 2ka5 h ILE 73 CO 0.08 0.00 0.49 0.58 -0.68 0.00 0.00 178.15 178.62 2ka5 h VAL 74 N -0.40 1.23 -0.81 1.67 2.07 -1.58 -2.32 116.25 116.11 2ka5 h VAL 74 Ca -0.01 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 66.98 2ka5 h VAL 74 Cb 0.36 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2ka5 h VAL 74 CO -0.01 0.25 0.53 -1.13 0.02 0.00 0.00 177.57 177.23 2ka5 h ASN 75 N 1.15 0.93 -0.19 0.57 -0.73 0.05 0.19 115.58 117.55 2ka5 h ASN 75 Ca 0.30 -0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.34 2ka5 h ASN 75 Cb -0.03 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.31 2ka5 h ASN 75 CO -0.05 0.68 -0.22 0.40 -0.37 0.00 0.00 177.43 177.86 2ka5 h ILE 76 N 1.09 1.27 0.05 2.57 2.04 -0.89 -2.95 117.51 120.68 2ka5 h ILE 76 Ca 0.29 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 2ka5 h ILE 76 Cb -0.12 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2ka5 h ILE 76 CO -0.06 0.42 -0.02 0.25 0.00 0.00 0.00 178.15 178.74 2ka5 h LEU 77 N 0.57 -0.06 0.00 1.44 5.85 -0.36 -2.20 115.31 120.55 2ka5 h LEU 77 Ca 0.08 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2ka5 h LEU 77 Cb 0.69 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2ka5 h LEU 77 CO 0.05 -0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.44 2ka5 n LYS 78 N -5.10 0.12 -0.07 1.25 5.02 0.45 -0.07 118.16 119.76 2ka5 n LYS 78 Ca -0.08 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.12 2ka5 n LYS 78 Cb 0.07 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2ka5 n LYS 78 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2ka5 n SER 79 N -0.78 1.75 -0.19 4.39 2.88 -0.87 -4.62 113.62 116.18 2ka5 n SER 79 Ca 0.02 0.29 0.11 0.00 -1.33 0.00 0.00 58.87 57.95 2ka5 n SER 79 Cb 0.01 -0.66 0.41 0.00 -0.75 0.00 0.00 64.21 63.22 2ka5 n SER 79 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2ka5 h ILE 80 N -0.80 0.90 0.29 2.46 2.04 -0.77 -2.51 117.51 119.11 2ka5 h ILE 80 Ca -0.07 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2ka5 h ILE 80 Cb 0.88 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2ka5 h ILE 80 CO -0.04 0.11 -0.45 0.77 0.00 0.00 0.00 178.15 178.54 2ka5 h SER 81 N 0.62 -1.27 -0.87 1.72 4.64 -0.71 -0.43 113.55 117.24 2ka5 h SER 81 Ca 0.36 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.78 2ka5 h SER 81 Cb 0.57 0.45 -0.04 0.00 -0.31 0.00 0.00 62.40 63.07 2ka5 h SER 81 CO -0.14 -0.56 0.45 -1.28 -0.87 0.00 0.00 176.83 174.44 2ka5 h SER 82 N -0.79 1.12 0.42 4.97 0.87 -1.73 -1.65 113.55 116.75 2ka5 h SER 82 Ca -0.02 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2ka5 h SER 82 Cb 0.75 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2ka5 h SER 82 CO -0.16 0.91 -0.09 0.28 -0.53 0.00 0.00 176.83 177.25 2ka5 h SER 83 N 1.24 0.00 0.00 6.23 0.02 -1.10 -3.46 113.55 116.47 2ka5 h SER 83 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2ka5 h SER 83 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2ka5 h SER 83 CO -0.04 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2ka5 n GLY 84 N -0.62 0.74 1.51 -3.77 0.00 -0.62 -5.09 105.19 97.34 2ka5 n GLY 84 Ca -0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.44 0.30 3.14 -0.02 0.00 -0.27 -5.03 105.19 100.88 2ka5 n GLY 85 Ca 0.00 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.28 1.09 0.01 1.61 0.40 -0.10 -4.52 117.98 115.19 2ka5 s PHE 86 Ca 0.26 -0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 56.09 2ka5 s PHE 86 Cb -0.01 -0.63 -0.00 0.00 0.51 0.00 0.00 43.02 42.89 2ka5 s PHE 86 CO 0.18 0.02 0.11 0.12 0.70 0.00 0.00 175.22 176.35 2ka5 s PHE 87 N -1.19 0.08 0.24 0.36 5.36 -1.26 -3.29 117.98 118.27 2ka5 s PHE 87 Ca -0.03 -0.20 -0.15 0.00 -0.96 0.00 0.00 56.93 55.59 2ka5 s PHE 87 Cb -0.09 -0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.52 2ka5 s PHE 87 CO 0.02 -0.27 0.53 0.00 -1.46 0.00 0.00 175.22 174.03 2ka5 s ALA 88 N -1.40 -0.60 0.44 11.12 0.00 -1.21 -4.13 121.76 125.99 2ka5 s ALA 88 Ca -0.15 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.28 2ka5 s ALA 88 Cb -0.08 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 2ka5 s ALA 88 CO 0.01 -0.87 0.21 -0.51 0.00 0.00 0.00 175.76 174.60 2ka5 s LEU 89 N -2.96 3.02 -0.07 0.00 1.43 -0.11 -1.85 118.68 118.14 2ka5 s LEU 89 Ca 0.17 -1.13 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 2ka5 s LEU 89 Cb -0.02 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.86 2ka5 s LEU 89 CO 0.05 -0.65 0.42 0.54 0.23 0.00 0.00 176.35 176.95 2ka5 s VAL 90 N -2.64 0.03 -1.36 -1.59 0.11 -0.99 -0.51 120.40 113.45 2ka5 s VAL 90 Ca 0.38 -0.23 -0.12 0.00 -2.93 0.00 0.00 61.98 59.08 2ka5 s VAL 90 Cb 0.03 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2ka5 s VAL 90 CO 0.21 -0.13 0.41 -0.24 -3.33 0.00 0.00 175.10 172.03 2ka5 n SER 91 N 1.73 -1.67 0.19 3.54 2.88 0.02 0.22 113.62 120.52 2ka5 n SER 91 Ca -0.18 -1.17 0.06 0.00 -1.33 0.00 0.00 58.87 56.24 2ka5 n SER 91 Cb 0.56 -2.29 0.52 0.00 -0.75 0.00 0.00 64.21 62.26 2ka5 n SER 91 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2ka5 h PRO 92 N -2.05 0.12 -2.98 -1.46 0.13 -1.84 -3.04 132.00 120.89 2ka5 h PRO 92 Ca -0.67 -0.02 0.31 0.00 -0.87 0.00 0.00 66.00 64.76 2ka5 h PRO 92 Cb 1.39 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.35 2ka5 h PRO 92 CO 0.60 0.18 -0.93 0.09 -0.23 0.00 0.00 178.00 177.70 2ka5 n ASN 93 N -4.42 -7.20 -0.15 1.44 3.02 -1.26 -4.12 115.26 102.57 2ka5 n ASN 93 Ca -0.02 1.07 0.16 0.00 -0.03 0.00 0.00 54.58 55.76 2ka5 n ASN 93 Cb 0.17 -4.17 0.52 0.00 -0.61 0.00 0.00 39.78 35.68 2ka5 n ASN 93 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2ka5 h GLU 94 N -1.22 0.38 0.20 3.52 4.81 -1.96 -3.05 114.58 117.27 2ka5 h GLU 94 Ca -0.12 -0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 58.79 2ka5 h GLU 94 Cb 1.19 -0.09 0.03 0.00 0.63 0.00 0.00 28.75 30.51 2ka5 h GLU 94 CO 0.05 0.25 -1.36 -0.22 -0.73 0.00 0.00 179.01 177.01 2ka5 h LYS 95 N 0.39 0.43 -0.03 1.92 3.11 -1.86 -2.69 116.57 117.84 2ka5 h LYS 95 Ca 0.36 -0.73 -0.14 0.00 -2.81 0.00 0.00 60.65 57.33 2ka5 h LYS 95 Cb 0.86 0.27 0.01 0.00 -1.00 0.00 0.00 32.23 32.37 2ka5 h LYS 95 CO -0.11 1.35 -0.54 -0.39 -2.81 0.00 0.00 179.45 176.94 2ka5 h VAL 96 N -0.04 1.42 -0.31 2.00 -1.51 -1.71 -3.34 116.25 112.76 2ka5 h VAL 96 Ca -0.25 -1.98 0.09 0.00 -1.23 0.00 0.00 66.70 63.32 2ka5 h VAL 96 Cb 1.98 2.49 -0.01 0.00 -2.13 0.00 0.00 31.29 33.62 2ka5 h VAL 96 CO 0.20 0.58 0.22 -0.33 -1.23 0.00 0.00 177.57 177.02 2ka5 h GLU 97 N -0.07 0.00 -0.33 5.19 4.39 -1.54 0.38 114.58 122.59 2ka5 h GLU 97 Ca -0.06 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.68 2ka5 h GLU 97 Cb 1.23 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 2ka5 h GLU 97 CO 0.11 0.00 -0.41 -0.09 -1.16 0.00 0.00 179.01 177.46 2ka5 h ARG 98 N 0.00 -0.26 -0.20 2.33 1.12 -1.59 -1.51 114.38 114.26 2ka5 h ARG 98 Ca 0.14 0.02 -0.21 0.00 -1.11 0.00 0.00 59.98 58.82 2ka5 h ARG 98 Cb 0.59 0.06 0.01 0.00 -0.01 0.00 0.00 29.97 30.61 2ka5 h ARG 98 CO -0.00 -0.17 -0.70 0.28 -3.11 0.00 0.00 179.97 176.27 2ka5 h VAL 99 N -0.27 1.27 0.00 0.20 2.07 -0.56 -2.43 116.25 116.54 2ka5 h VAL 99 Ca 0.06 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2ka5 h VAL 99 Cb 0.42 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2ka5 h VAL 99 CO -0.46 0.60 0.06 -0.07 0.02 0.00 0.00 177.57 177.73 2ka5 h LEU 100 N 0.59 0.00 -1.37 2.57 3.38 -0.53 0.35 115.31 120.30 2ka5 h LEU 100 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ka5 h LEU 100 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2ka5 h LEU 100 CO 0.15 0.00 -0.17 -0.24 0.09 0.00 0.00 178.44 178.27 2ka5 n SER 101 N -2.65 2.29 -0.00 -0.43 2.88 -0.59 -1.40 113.62 113.72 2ka5 n SER 101 Ca -0.02 -1.67 -0.01 0.00 -1.33 0.00 0.00 58.87 55.84 2ka5 n SER 101 Cb 0.11 0.15 -0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2ka5 n SER 101 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ka5 n LEU 102 N 0.57 2.18 -0.35 2.46 4.77 0.38 -4.65 117.00 122.36 2ka5 n LEU 102 Ca 0.13 -0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.26 2ka5 n LEU 102 Cb 0.50 -0.02 0.63 0.00 -2.33 0.00 0.00 43.42 42.20 2ka5 n LEU 102 CO 0.20 0.37 0.93 1.07 -1.33 0.00 0.00 177.39 178.64 2ka5 n THR 103 N -2.66 0.01 -3.29 -5.08 5.66 0.97 -4.99 114.28 104.89 2ka5 n THR 103 Ca -0.01 -0.18 -0.20 0.00 -3.05 0.00 0.00 64.05 60.60 2ka5 n THR 103 Cb 0.51 0.22 0.02 0.00 -1.55 0.00 0.00 70.33 69.54 2ka5 n THR 103 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2ka5 n ASN 104 N -0.14 -6.24 0.01 1.09 0.23 -1.23 -5.01 115.26 103.96 2ka5 n ASN 104 Ca 0.20 0.20 -0.01 0.00 -0.53 0.00 0.00 54.58 54.44 2ka5 n ASN 104 Cb 0.29 -2.14 -0.00 0.00 -2.08 0.00 0.00 39.78 35.84 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2ka5 n LEU 105 N 0.41 0.75 0.22 -4.53 -0.00 -0.49 -4.64 117.00 108.71 2ka5 n LEU 105 Ca -0.03 0.11 0.12 0.00 -0.00 0.00 0.00 56.01 56.20 2ka5 n LEU 105 Cb 0.56 -0.31 0.70 0.00 -0.00 0.00 0.00 43.42 44.37 2ka5 n LEU 105 CO 0.34 -0.57 1.10 -0.78 -0.00 0.00 0.00 177.39 177.48 2ka5 h ASP 106 N -0.15 0.00 0.00 1.96 3.58 -1.74 0.03 116.42 120.11 2ka5 h ASP 106 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ka5 h ASP 106 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2ka5 h ASP 106 CO 0.00 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.90 2ka5 n ARG 107 N -4.37 0.46 0.00 0.28 1.74 -1.26 -3.23 116.66 110.28 2ka5 n ARG 107 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2ka5 n ARG 107 Cb 0.19 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 -0.93 0.00 -4.37 0.55 5.41 -0.16 -5.07 119.36 114.78 2ka5 n ILE 108 Ca 0.10 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.59 2ka5 n ILE 108 Cb 0.04 -0.27 -0.12 0.00 -0.71 0.00 0.00 39.64 38.58 2ka5 n ILE 108 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2ka5 s VAL 109 N -1.48 2.10 0.73 1.39 1.01 -0.28 -5.11 120.40 118.76 2ka5 s VAL 109 Ca 0.00 -1.88 -0.14 0.00 0.00 0.00 0.00 61.98 59.96 2ka5 s VAL 109 Cb 0.00 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.47 2ka5 s VAL 109 CO 0.00 -0.13 1.16 -0.54 0.00 0.00 0.00 175.10 175.59 2ka5 s LYS 110 N -2.49 2.27 -0.03 2.72 1.02 -1.26 -4.42 119.74 117.56 2ka5 s LYS 110 Ca 0.16 1.56 -0.11 0.00 0.02 0.00 0.00 55.97 57.60 2ka5 s LYS 110 Cb -0.08 -1.87 0.02 0.00 -0.52 0.00 0.00 37.83 35.38 2ka5 s LYS 110 CO 0.08 -1.69 0.23 -1.50 -0.92 0.00 0.00 175.35 171.55 2ka5 s ILE 111 N -2.25 0.05 0.22 2.17 1.10 -1.26 -0.93 121.20 120.30 2ka5 s ILE 111 Ca 0.70 -0.45 -0.05 0.00 -0.51 0.00 0.00 60.65 60.33 2ka5 s ILE 111 Cb -0.24 -0.49 -0.03 0.00 0.15 0.00 0.00 42.46 41.85 2ka5 s ILE 111 CO 0.46 -0.25 0.25 -0.31 -2.11 0.00 0.00 174.94 172.98 2ka5 s TYR 112 N -1.03 0.87 -0.05 3.50 2.02 0.33 -4.86 117.35 118.14 2ka5 s TYR 112 Ca -0.11 -1.15 -0.05 0.00 -0.37 0.00 0.00 57.07 55.39 2ka5 s TYR 112 Cb -0.05 -0.30 -0.28 0.00 -0.40 0.00 0.00 41.96 40.93 2ka5 s TYR 112 CO 0.02 -0.76 0.66 0.22 -1.57 0.00 0.00 175.55 174.12 2ka5 h ASP 113 N 2.50 0.44 -5.11 2.29 1.82 -1.92 0.09 116.42 116.52 2ka5 h ASP 113 Ca -0.32 -0.73 -0.43 0.00 -0.39 0.00 0.00 57.03 55.16 2ka5 h ASP 113 Cb 1.25 -0.14 -0.14 0.00 0.68 0.00 0.00 39.33 40.98 2ka5 h ASP 113 CO 0.47 1.63 -0.54 0.42 -1.61 0.00 0.00 179.24 179.61 2ka5 s THR 114 N -2.59 0.19 0.11 2.25 -4.23 -1.26 -2.01 115.64 108.10 2ka5 s THR 114 Ca -0.14 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.24 2ka5 s THR 114 Cb 0.06 -2.49 -0.14 0.00 1.34 0.00 0.00 72.50 71.28 2ka5 s THR 114 CO 0.83 0.00 1.34 0.40 -0.54 0.00 0.00 174.62 176.65 2ka5 h ILE 115 N 2.20 1.27 -0.04 2.99 1.08 -1.97 -3.22 117.51 119.82 2ka5 h ILE 115 Ca -0.31 -1.89 -0.16 0.00 -0.39 0.00 0.00 64.86 62.12 2ka5 h ILE 115 Cb 1.25 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 2ka5 h ILE 115 CO 0.47 0.60 -0.68 -1.28 -0.69 0.00 0.00 178.15 176.57 2ka5 h SER 116 N 0.58 0.22 0.34 1.72 0.87 -2.00 0.21 113.55 115.50 2ka5 h SER 116 Ca -0.03 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2ka5 h SER 116 Cb 1.32 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2ka5 h SER 116 CO 0.15 0.84 0.00 -0.62 -0.53 0.00 0.00 176.83 176.67 2ka5 n GLU 117 N -3.80 0.00 -0.12 2.24 1.02 -1.25 -3.14 120.64 115.60 2ka5 n GLU 117 Ca -0.02 0.34 -0.23 0.00 -0.02 0.00 0.00 57.16 57.22 2ka5 n GLU 117 Cb 0.67 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 2ka5 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ka5 n ALA 118 N -1.50 1.48 0.20 0.62 0.00 -0.10 -4.45 120.51 116.75 2ka5 n ALA 118 Ca 0.02 -0.95 -0.15 0.00 0.00 0.00 0.00 53.44 52.37 2ka5 n ALA 118 Cb 0.11 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 2ka5 n ALA 118 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2ka5 h MET 119 N -0.65 -0.52 0.00 0.00 4.05 -0.62 0.12 114.93 117.30 2ka5 h MET 119 Ca -0.58 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 2ka5 h MET 119 Cb 1.59 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.51 2ka5 h MET 119 CO -0.30 -0.35 -0.46 -0.85 0.23 0.00 0.00 176.91 175.18 2ka5 n GLU 120 N -5.36 0.14 -0.10 0.39 0.28 -1.25 -4.32 120.64 110.41 2ka5 n GLU 120 Ca -0.09 0.05 -0.17 0.00 -0.16 0.00 0.00 57.16 56.78 2ka5 n GLU 120 Cb 0.27 -1.60 -0.08 0.00 1.43 0.00 0.00 31.44 31.46 2ka5 n GLU 120 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2ka5 n GLU 121 N -1.80 0.53 0.22 3.44 4.07 -0.71 -4.01 120.64 122.38 2ka5 n GLU 121 Ca 0.05 0.51 0.18 0.00 -0.06 0.00 0.00 57.16 57.83 2ka5 n GLU 121 Cb 0.39 -1.68 0.84 0.00 -0.06 0.00 0.00 31.44 30.92 2ka5 n GLU 121 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 2ka5 h VAL 122 N -1.00 0.28 -0.03 6.31 3.04 -1.00 0.31 116.25 124.16 2ka5 h VAL 122 Ca -0.28 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.42 2ka5 h VAL 122 Cb 1.11 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2ka5 h VAL 122 CO -0.17 0.00 0.02 0.03 -1.01 0.00 0.00 177.57 176.44 2ka5 h ARG 123 N 0.00 0.00 0.00 4.17 3.08 -1.75 -3.29 114.38 116.59 2ka5 h ARG 123 Ca 0.09 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2ka5 h ARG 123 Cb 0.66 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.54 2ka5 h ARG 123 CO -0.00 0.00 -0.69 0.54 -1.07 0.00 0.00 179.97 178.75 2ka5 n ARG 124 N -4.31 0.42 0.00 0.04 3.00 0.99 -5.15 116.66 111.65 2ka5 n ARG 124 Ca -0.02 -2.02 0.00 0.00 -0.01 0.00 0.00 57.85 55.80 2ka5 n ARG 124 Cb 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 32.46 32.00 2ka5 n ARG 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26