#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 -1.21 0.00 3.17 0.00 -1.26 -5.10 105.19 100.79 2ka5 n GLY 2 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2ka5 n GLY 2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ka5 n SER 3 N 0.22 0.00 -3.80 1.61 2.88 -1.26 -5.06 113.62 108.21 2ka5 n SER 3 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2ka5 n SER 3 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2ka5 n SER 3 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ka5 s ASP 4 N -1.00 -0.13 0.07 -3.46 2.15 -1.26 -5.17 116.67 107.87 2ka5 s ASP 4 Ca 0.00 0.04 -0.03 0.00 0.43 0.00 0.00 52.55 52.99 2ka5 s ASP 4 Cb 0.00 0.31 -0.03 0.00 -0.30 0.00 0.00 42.92 42.89 2ka5 s ASP 4 CO 0.00 -0.39 0.04 -0.54 -0.17 0.00 0.00 175.17 174.11 2ka5 s LYS 5 N -1.20 0.73 -0.08 4.34 1.02 -1.26 -5.16 119.74 118.13 2ka5 s LYS 5 Ca -0.13 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.67 2ka5 s LYS 5 Cb -0.06 0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.52 2ka5 s LYS 5 CO 0.03 -0.18 -0.07 -1.50 -0.92 0.00 0.00 175.35 172.72 2ka5 s ILE 6 N -3.93 0.83 -0.75 2.17 -1.16 -1.26 -5.09 121.20 112.02 2ka5 s ILE 6 Ca 0.09 -0.23 -0.26 0.00 -0.51 0.00 0.00 60.65 59.75 2ka5 s ILE 6 Cb 0.07 -0.84 -0.01 0.00 0.61 0.00 0.00 42.46 42.29 2ka5 s ILE 6 CO -0.08 0.31 1.74 -1.38 -2.81 0.00 0.00 174.94 172.72 2ka5 s HIS 7 N 1.29 1.90 0.84 3.50 -3.43 -1.26 -5.01 115.29 113.11 2ka5 s HIS 7 Ca -0.04 0.43 -0.12 0.00 -0.80 0.00 0.00 55.06 54.53 2ka5 s HIS 7 Cb -0.14 -4.24 0.09 0.00 -1.43 0.00 0.00 32.58 26.87 2ka5 s HIS 7 CO -0.03 -2.09 1.17 -3.38 -2.00 0.00 0.00 174.74 168.41 2ka5 s HIS 8 N 8.31 2.83 0.19 0.38 -3.43 -1.26 -4.95 115.29 117.37 2ka5 s HIS 8 Ca 0.60 0.77 0.00 0.00 -0.80 0.00 0.00 55.06 55.63 2ka5 s HIS 8 Cb -0.09 -3.48 0.00 0.00 -1.43 0.00 0.00 32.58 27.58 2ka5 s HIS 8 CO 0.11 -1.93 0.00 0.72 -2.00 0.00 0.00 174.74 171.64 2ka5 n HIS 9 N -3.43 -2.90 -2.94 0.38 8.25 -1.26 -5.03 115.22 108.29 2ka5 n HIS 9 Ca 0.08 1.02 -0.03 0.00 -0.26 0.00 0.00 57.72 58.53 2ka5 n HIS 9 Cb 0.61 -1.79 0.00 0.00 1.12 0.00 0.00 29.99 29.92 2ka5 n HIS 9 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ka5 n HIS 10 N -3.12 -2.53 -1.43 4.41 8.25 -1.26 -4.73 115.22 114.82 2ka5 n HIS 10 Ca 0.01 1.11 -0.46 0.00 -0.26 0.00 0.00 57.72 58.11 2ka5 n HIS 10 Cb 0.37 -2.87 -0.14 0.00 1.12 0.00 0.00 29.99 28.47 2ka5 n HIS 10 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ka5 n HIS 11 N 0.78 0.73 -2.30 4.41 -0.00 -1.26 -4.84 115.22 112.75 2ka5 n HIS 11 Ca 0.00 0.49 -0.42 0.00 0.46 0.00 0.00 57.72 58.26 2ka5 n HIS 11 Cb 0.25 -2.35 -0.03 0.00 -0.12 0.00 0.00 29.99 27.73 2ka5 n HIS 11 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2ka5 s HIS 12 N 8.15 3.34 -0.31 1.57 5.04 -1.26 -4.99 115.29 126.84 2ka5 s HIS 12 Ca 1.31 1.19 -0.04 0.00 -1.54 0.00 0.00 55.06 55.99 2ka5 s HIS 12 Cb -1.33 -3.54 0.19 0.00 0.04 0.00 0.00 32.58 27.94 2ka5 s HIS 12 CO 0.54 -1.74 0.86 1.41 -2.34 0.00 0.00 174.74 173.47 2ka5 s MET 13 N 0.69 0.35 1.03 2.88 1.75 -1.26 -5.18 119.30 119.55 2ka5 s MET 13 Ca 0.59 0.19 -0.12 0.00 -1.25 0.00 0.00 55.69 55.11 2ka5 s MET 13 Cb -0.34 0.12 0.21 0.00 2.84 0.00 0.00 34.83 37.66 2ka5 s MET 13 CO 0.32 -0.60 1.08 -0.06 -0.65 0.00 0.00 175.02 175.11 2ka5 s PHE 14 N 2.65 1.63 -0.98 4.11 0.08 -1.26 -4.92 117.98 119.30 2ka5 s PHE 14 Ca 0.19 1.41 -0.24 0.00 0.12 0.00 0.00 56.93 58.41 2ka5 s PHE 14 Cb -0.04 -3.19 -0.01 0.00 -0.57 0.00 0.00 43.02 39.21 2ka5 s PHE 14 CO -0.21 -3.23 1.74 -1.25 -0.10 0.00 0.00 175.22 172.18 2ka5 s PRO 15 N -4.62 3.01 0.24 0.24 0.04 -1.26 -4.88 135.00 127.77 2ka5 s PRO 15 Ca 0.67 -0.72 -0.14 0.00 0.04 0.00 0.00 61.00 60.85 2ka5 s PRO 15 Cb -0.23 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.11 2ka5 s PRO 15 CO 0.61 -2.90 0.51 1.52 0.04 0.00 0.00 177.00 176.77 2ka5 s TYR 16 N 7.89 0.25 0.32 0.56 -0.85 -1.26 -0.86 117.35 123.41 2ka5 s TYR 16 Ca 0.60 -0.63 0.04 0.00 -0.52 0.00 0.00 57.07 56.56 2ka5 s TYR 16 Cb -0.03 0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 2ka5 s TYR 16 CO -0.04 -1.01 0.16 -1.59 -1.52 0.00 0.00 175.55 171.56 2ka5 s LYS 17 N -3.99 1.67 -0.11 -3.49 -2.85 0.13 -4.96 119.74 106.13 2ka5 s LYS 17 Ca 0.20 -1.96 -0.01 0.00 -1.00 0.00 0.00 55.97 53.20 2ka5 s LYS 17 Cb -0.01 -0.17 0.03 0.00 -2.06 0.00 0.00 37.83 35.62 2ka5 s LYS 17 CO 0.07 -0.47 -0.06 0.42 0.10 0.00 0.00 175.35 175.42 2ka5 s ILE 18 N -3.52 0.93 0.00 3.79 1.01 -1.26 -1.76 121.20 120.39 2ka5 s ILE 18 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2ka5 s ILE 18 Cb 0.04 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.52 2ka5 s ILE 18 CO 0.18 0.31 0.00 1.33 0.00 0.00 0.00 174.94 176.76 2ka5 n VAL 19 N 4.97 0.00 0.00 2.92 0.24 -0.63 -5.01 118.33 120.81 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 0.50 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 2ka5 n VAL 19 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2ka5 n ASP 20 N 0.00 0.00 -1.14 -1.34 9.92 -1.26 -4.03 116.55 118.70 2ka5 n ASP 20 Ca 0.00 0.19 -0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2ka5 n ASP 20 Cb 0.00 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.43 2ka5 n ASP 20 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2ka5 n ASP 21 N -1.08 0.14 -4.38 -2.24 5.75 -1.26 -5.11 116.55 108.37 2ka5 n ASP 21 Ca 0.00 -1.92 -0.29 0.00 -0.01 0.00 0.00 54.79 52.56 2ka5 n ASP 21 Cb 0.00 -0.07 -0.13 0.00 -1.03 0.00 0.00 41.12 39.89 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2ka5 s VAL 22 N 0.00 2.27 -0.10 2.12 1.01 -1.26 -4.38 120.40 120.07 2ka5 s VAL 22 Ca 0.16 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 2ka5 s VAL 22 Cb 0.19 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2ka5 s VAL 22 CO -0.08 0.19 0.07 -0.69 0.00 0.00 0.00 175.10 174.58 2ka5 s VAL 23 N -0.98 4.87 -0.34 2.92 1.01 -0.91 -1.61 120.40 125.35 2ka5 s VAL 23 Ca 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2ka5 s VAL 23 Cb -0.10 -3.09 0.10 0.00 0.00 0.00 0.00 36.38 33.28 2ka5 s VAL 23 CO 0.05 0.60 0.06 -0.63 0.00 0.00 0.00 175.10 175.18 2ka5 s ILE 24 N -0.97 2.53 0.43 2.22 1.09 -0.73 -0.28 121.20 125.50 2ka5 s ILE 24 Ca 0.15 -2.16 -0.23 0.00 -1.10 0.00 0.00 60.65 57.30 2ka5 s ILE 24 Cb -0.12 -2.77 -0.08 0.00 -1.06 0.00 0.00 42.46 38.43 2ka5 s ILE 24 CO 0.04 -0.54 1.09 -0.76 -0.10 0.00 0.00 174.94 174.67 2ka5 s LEU 25 N 0.99 4.06 -0.59 2.97 2.01 -0.64 -0.69 118.68 126.79 2ka5 s LEU 25 Ca 0.08 2.12 0.05 0.00 0.01 0.00 0.00 54.13 56.38 2ka5 s LEU 25 Cb -0.20 -4.24 0.17 0.00 0.01 0.00 0.00 46.19 41.93 2ka5 s LEU 25 CO -0.07 -0.67 0.45 0.23 1.01 0.00 0.00 176.35 177.30 2ka5 n MET 26 N -0.31 1.21 -1.72 1.70 2.81 -0.04 -2.09 117.12 118.68 2ka5 n MET 26 Ca 0.06 -3.97 -0.43 0.00 -1.81 0.00 0.00 57.70 51.55 2ka5 n MET 26 Cb 0.49 -2.03 -0.02 0.00 -0.71 0.00 0.00 33.22 30.95 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 2.25 2.48 0.00 0.03 -0.04 -1.25 -4.75 135.00 133.72 2ka5 n PRO 27 Ca 0.24 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.58 2ka5 n PRO 27 Cb 0.40 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 1.96 0.00 -3.89 3.54 2.04 -1.26 -3.69 115.26 113.95 2ka5 n ASN 28 Ca 0.09 0.00 -0.41 0.00 -0.44 0.00 0.00 54.58 53.82 2ka5 n ASN 28 Cb 0.35 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.60 2ka5 n ASN 28 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2ka5 n LYS 29 N 0.00 4.27 0.00 -3.83 4.01 -1.26 -4.54 118.16 116.81 2ka5 n LYS 29 Ca 0.00 -4.58 0.00 0.00 -0.51 0.00 0.00 58.31 53.22 2ka5 n LYS 29 Cb 0.00 -2.47 0.00 0.00 -0.51 0.00 0.00 35.03 32.05 2ka5 n LYS 29 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2ka5 n GLU 30 N 1.15 0.00 -0.52 1.97 0.28 -1.26 -4.90 120.64 117.37 2ka5 n GLU 30 Ca 0.28 -0.06 -0.05 0.00 -0.16 0.00 0.00 57.16 57.17 2ka5 n GLU 30 Cb 0.34 -0.13 0.02 0.00 1.43 0.00 0.00 31.44 33.10 2ka5 n GLU 30 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2ka5 n LEU 31 N 0.00 5.20 -4.84 -1.84 4.32 -1.26 -4.66 117.00 113.92 2ka5 n LEU 31 Ca 0.00 -2.49 -0.32 0.00 -0.02 0.00 0.00 56.01 53.19 2ka5 n LEU 31 Cb 0.37 -0.98 0.01 0.00 -1.62 0.00 0.00 43.42 41.20 2ka5 n LEU 31 CO 0.00 0.96 0.71 0.54 -1.22 0.00 0.00 177.39 178.38 2ka5 s ASN 32 N 1.24 6.06 0.33 -1.43 2.20 -1.26 -4.42 114.94 117.66 2ka5 s ASN 32 Ca 0.09 1.58 0.02 0.00 -0.94 0.00 0.00 52.86 53.62 2ka5 s ASN 32 Cb 0.08 -2.50 0.58 0.00 -2.00 0.00 0.00 41.25 37.40 2ka5 s ASN 32 CO 0.00 -0.98 1.92 0.40 -2.94 0.00 0.00 177.10 175.51 2ka5 h ILE 33 N 0.09 1.19 0.00 0.54 2.04 -2.00 -1.45 117.51 117.91 2ka5 h ILE 33 Ca -0.45 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2ka5 h ILE 33 Cb 1.20 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2ka5 h ILE 33 CO 0.60 0.22 0.00 -0.62 0.00 0.00 0.00 178.15 178.35 2ka5 n GLU 34 N -4.35 0.08 -0.75 2.37 1.02 -1.26 -1.35 120.64 116.39 2ka5 n GLU 34 Ca 0.04 0.15 -0.02 0.00 -0.02 0.00 0.00 57.16 57.31 2ka5 n GLU 34 Cb 0.15 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.27 2ka5 n GLU 34 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2ka5 n ASN 35 N -1.44 2.50 -0.04 1.62 5.15 -0.56 -4.71 115.26 117.78 2ka5 n ASN 35 Ca 0.06 -3.72 -0.09 0.00 -0.60 0.00 0.00 54.58 50.23 2ka5 n ASN 35 Cb 0.21 -0.62 -0.03 0.00 -0.53 0.00 0.00 39.78 38.81 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 -1.09 2.19 0.13 5.20 0.00 -0.46 -3.98 120.51 122.50 2ka5 n ALA 36 Ca 0.31 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 2ka5 n ALA 36 Cb 0.99 0.26 -0.08 0.00 0.00 0.00 0.00 19.45 20.62 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 -0.42 -0.25 -0.01 0.00 -0.00 -1.86 -2.67 115.15 109.94 2ka5 h HIS 37 Ca -0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 2ka5 h HIS 37 Cb 0.88 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 28.37 2ka5 h HIS 37 CO -0.10 -0.08 0.01 1.37 -0.00 0.00 0.00 177.93 179.13 2ka5 h LEU 38 N -0.38 0.00 -0.72 0.26 8.10 -1.84 -2.88 115.31 117.85 2ka5 h LEU 38 Ca -0.03 0.00 0.13 0.00 0.11 0.00 0.00 57.88 58.09 2ka5 h LEU 38 Cb 0.29 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.42 2ka5 h LEU 38 CO 0.05 0.00 0.28 0.15 -4.11 0.00 0.00 178.44 174.80 2ka5 h PHE 39 N 0.00 0.47 -0.38 0.17 3.57 -1.60 0.25 116.94 119.42 2ka5 h PHE 39 Ca 0.00 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2ka5 h PHE 39 Cb 0.02 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2ka5 h PHE 39 CO 0.00 0.06 0.09 -0.22 -2.23 0.00 0.00 178.31 176.01 2ka5 h LYS 40 N 0.43 0.61 -0.66 1.11 3.64 -1.63 -0.40 116.57 119.67 2ka5 h LYS 40 Ca 0.39 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2ka5 h LYS 40 Cb 0.57 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2ka5 h LYS 40 CO -0.39 0.65 0.22 0.87 -2.27 0.00 0.00 179.45 178.53 2ka5 h LYS 41 N 0.46 1.01 0.33 1.90 1.57 -1.10 0.30 116.57 121.05 2ka5 h LYS 41 Ca 0.12 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2ka5 h LYS 41 Cb 0.31 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2ka5 h LYS 41 CO 0.00 0.87 -0.18 2.35 -0.57 0.00 0.00 179.45 181.92 2ka5 h TRP 42 N 0.94 -0.49 -0.89 -1.35 7.01 -0.51 -1.04 115.95 119.63 2ka5 h TRP 42 Ca 0.21 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.38 2ka5 h TRP 42 Cb 0.27 0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 27.43 2ka5 h TRP 42 CO 0.02 -0.28 0.58 0.28 -2.79 0.00 0.00 178.44 176.24 2ka5 h VAL 43 N -0.48 0.75 0.24 2.65 2.07 -0.98 0.21 116.25 120.71 2ka5 h VAL 43 Ca -0.05 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2ka5 h VAL 43 Cb 0.38 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2ka5 h VAL 43 CO 0.06 0.10 -0.15 -0.26 0.02 0.00 0.00 177.57 177.34 2ka5 h PHE 44 N 0.54 -0.40 -0.16 1.57 -1.00 -0.89 -1.65 116.94 114.96 2ka5 h PHE 44 Ca 0.46 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.16 2ka5 h PHE 44 Cb 0.95 0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.65 2ka5 h PHE 44 CO -0.00 -0.22 -0.20 -0.44 -1.61 0.00 0.00 178.31 175.83 2ka5 h ASP 45 N -0.36 0.46 0.14 2.17 5.19 -0.28 0.30 116.42 124.03 2ka5 h ASP 45 Ca -0.03 -0.50 -0.02 0.00 -0.62 0.00 0.00 57.03 55.85 2ka5 h ASP 45 Cb 0.29 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2ka5 h ASP 45 CO 0.03 0.87 -0.11 -0.08 -3.12 0.00 0.00 179.24 176.83 2ka5 h GLU 46 N 0.06 0.00 0.00 3.56 4.57 -0.75 -3.06 114.58 118.96 2ka5 h GLU 46 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2ka5 h GLU 46 Cb 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2ka5 h GLU 46 CO 0.05 0.11 0.00 1.19 -1.18 0.00 0.00 179.01 179.17 2ka5 n PHE 47 N -4.23 -0.92 0.09 0.92 3.72 -0.99 -4.67 117.46 111.37 2ka5 n PHE 47 Ca -0.03 0.16 -0.12 0.00 -0.05 0.00 0.00 57.45 57.42 2ka5 n PHE 47 Cb 0.18 0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 39.12 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 -0.64 -0.61 4.37 3.38 -0.03 0.43 115.31 122.22 2ka5 h LEU 48 Ca 0.00 0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2ka5 h LEU 48 Cb 0.00 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2ka5 h LEU 48 CO 0.00 -0.30 -0.57 0.78 0.09 0.00 0.00 178.44 178.43 2ka5 h ASN 49 N -0.39 0.42 -0.21 -0.43 2.35 -0.72 -3.09 115.58 113.51 2ka5 h ASN 49 Ca 0.04 -0.23 0.06 0.00 -0.55 0.00 0.00 56.30 55.62 2ka5 h ASN 49 Cb 0.44 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2ka5 h ASN 49 CO -0.15 0.90 0.15 0.11 -1.65 0.00 0.00 177.43 176.79 2ka5 h LYS 50 N 0.29 0.02 0.00 0.81 1.57 -1.14 -3.45 116.57 114.66 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 1.09 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2ka5 h LYS 50 CO 0.10 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 2ka5 n GLY 51 N -1.57 -0.91 3.91 3.86 0.00 -0.20 -5.00 105.19 105.27 2ka5 n GLY 51 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.48 0.00 1.61 2.02 -0.03 -4.99 117.35 119.44 2ka5 s TYR 52 Ca 0.00 0.62 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 2ka5 s TYR 52 Cb 0.00 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 2ka5 s TYR 52 CO 0.00 0.18 0.46 0.09 -1.57 0.00 0.00 175.55 174.71 2ka5 n ASN 53 N -0.95 0.43 -3.88 2.29 4.13 -1.26 -4.19 115.26 111.83 2ka5 n ASN 53 Ca -0.02 -1.17 -0.18 0.00 1.68 0.00 0.00 54.58 54.89 2ka5 n ASN 53 Cb 0.54 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.62 2ka5 n ASN 53 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ka5 s LYS 54 N -0.17 0.56 0.07 3.52 1.02 -1.26 -1.32 119.74 122.16 2ka5 s LYS 54 Ca 0.00 -0.07 0.02 0.00 0.02 0.00 0.00 55.97 55.94 2ka5 s LYS 54 Cb 0.00 -0.62 -0.03 0.00 -0.52 0.00 0.00 37.83 36.66 2ka5 s LYS 54 CO 0.00 -0.05 -0.08 0.42 -0.92 0.00 0.00 175.35 174.72 2ka5 s ILE 55 N 0.69 0.62 0.10 2.17 1.01 -1.17 -2.15 121.20 122.48 2ka5 s ILE 55 Ca -0.08 -1.43 0.06 0.00 0.00 0.00 0.00 60.65 59.19 2ka5 s ILE 55 Cb -0.11 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2ka5 s ILE 55 CO -0.00 -0.57 -0.15 -0.36 0.00 0.00 0.00 174.94 173.86 2ka5 s PHE 56 N -2.28 1.36 -0.25 3.97 0.08 0.62 -3.04 117.98 118.45 2ka5 s PHE 56 Ca -0.01 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.54 2ka5 s PHE 56 Cb -0.04 -0.73 0.05 0.00 -0.57 0.00 0.00 43.02 41.73 2ka5 s PHE 56 CO -0.02 0.12 -0.11 -1.17 -0.10 0.00 0.00 175.22 173.94 2ka5 s LEU 57 N -2.17 3.23 -0.42 -0.37 2.96 -0.62 -1.63 118.68 119.66 2ka5 s LEU 57 Ca 0.05 -1.20 -0.21 0.00 -0.22 0.00 0.00 54.13 52.55 2ka5 s LEU 57 Cb -0.07 -1.57 0.02 0.00 0.50 0.00 0.00 46.19 45.07 2ka5 s LEU 57 CO 0.03 -0.16 0.68 -0.69 -1.32 0.00 0.00 176.35 174.89 2ka5 s VAL 58 N 1.17 4.80 -2.28 1.68 1.01 -0.89 -0.33 120.40 125.56 2ka5 s VAL 58 Ca -0.05 0.31 0.20 0.00 0.00 0.00 0.00 61.98 62.44 2ka5 s VAL 58 Cb -0.18 -4.20 0.44 0.00 0.00 0.00 0.00 36.38 32.43 2ka5 s VAL 58 CO -0.06 -0.56 1.49 0.18 0.00 0.00 0.00 175.10 176.15 2ka5 n LEU 59 N 6.32 2.05 -0.31 3.92 4.32 0.27 -3.88 117.00 129.69 2ka5 n LEU 59 Ca -0.01 -0.89 0.09 0.00 -0.02 0.00 0.00 56.01 55.19 2ka5 n LEU 59 Cb 0.48 -0.15 0.25 0.00 -1.62 0.00 0.00 43.42 42.38 2ka5 n LEU 59 CO 0.54 0.44 1.11 0.28 -1.22 0.00 0.00 177.39 178.54 2ka5 h SER 60 N 2.64 0.55 0.79 -1.43 0.02 -1.72 -2.39 113.55 112.01 2ka5 h SER 60 Ca 0.00 0.10 -0.23 0.00 -0.84 0.00 0.00 61.79 60.82 2ka5 h SER 60 Cb 0.58 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 2ka5 h SER 60 CO 0.00 0.21 -1.30 0.44 -1.14 0.00 0.00 176.83 175.04 2ka5 h ASP 61 N 0.62 0.00 -4.26 3.07 5.19 -1.78 -3.47 116.42 115.79 2ka5 h ASP 61 Ca 0.49 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 56.44 2ka5 h ASP 61 Cb 0.74 0.00 0.12 0.00 0.18 0.00 0.00 39.33 40.37 2ka5 h ASP 61 CO -0.38 0.93 0.39 0.54 -3.12 0.00 0.00 179.24 177.59 2ka5 s VAL 62 N -2.70 2.03 0.00 -1.35 0.11 -0.90 -4.90 120.40 112.68 2ka5 s VAL 62 Ca -0.02 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2ka5 s VAL 62 Cb 0.09 -2.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.95 2ka5 s VAL 62 CO 0.82 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.80 2ka5 n GLU 63 N -3.43 0.00 -4.03 1.54 2.13 -1.26 -4.98 120.64 110.60 2ka5 n GLU 63 Ca 0.11 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.82 2ka5 n GLU 63 Cb 0.60 -0.65 -0.05 0.00 0.27 0.00 0.00 31.44 31.61 2ka5 n GLU 63 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2ka5 s SER 64 N -4.58 0.20 0.08 4.31 1.04 -1.26 -3.69 113.70 109.79 2ka5 s SER 64 Ca 0.00 -1.13 0.03 0.00 0.48 0.00 0.00 55.95 55.34 2ka5 s SER 64 Cb 0.00 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 2ka5 s SER 64 CO 0.00 -1.18 -0.10 -0.51 0.98 0.00 0.00 173.24 172.43 2ka5 s ILE 65 N -3.70 0.86 0.57 -1.02 2.07 -1.26 -5.00 121.20 113.72 2ka5 s ILE 65 Ca 0.26 -1.45 -0.07 0.00 -1.41 0.00 0.00 60.65 57.98 2ka5 s ILE 65 Cb -0.00 -1.13 -0.01 0.00 0.13 0.00 0.00 42.46 41.45 2ka5 s ILE 65 CO 0.12 -0.47 0.90 -0.62 -1.91 0.00 0.00 174.94 172.97 2ka5 s ASP 66 N -2.12 5.89 0.36 4.50 -1.08 -1.26 -4.89 116.67 118.07 2ka5 s ASP 66 Ca 0.00 0.92 0.08 0.00 -0.52 0.00 0.00 52.55 53.04 2ka5 s ASP 66 Cb -0.06 -2.01 0.80 0.00 -1.46 0.00 0.00 42.92 40.19 2ka5 s ASP 66 CO 0.00 -0.90 1.90 0.77 0.52 0.00 0.00 175.17 177.46 2ka5 h SER 67 N -0.11 0.65 0.00 -0.34 4.64 -1.97 -1.19 113.55 115.23 2ka5 h SER 67 Ca -0.46 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2ka5 h SER 67 Cb 1.23 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2ka5 h SER 67 CO 0.61 0.36 0.00 0.33 -0.87 0.00 0.00 176.83 177.27 2ka5 n PHE 68 N -4.53 0.00 0.18 4.77 -0.00 -1.26 -3.16 117.46 113.45 2ka5 n PHE 68 Ca 0.15 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.64 2ka5 n PHE 68 Cb 0.39 -0.35 0.44 0.00 -0.00 0.00 0.00 39.48 39.96 2ka5 n PHE 68 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2ka5 h SER 69 N 0.00 0.09 0.00 -2.13 0.02 -1.86 -3.02 113.55 106.65 2ka5 h SER 69 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2ka5 h SER 69 Cb 0.00 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2ka5 h SER 69 CO 0.00 0.28 0.03 0.25 -1.14 0.00 0.00 176.83 176.25 2ka5 h LEU 70 N 0.10 0.00 0.05 5.07 5.85 -1.17 0.28 115.31 125.49 2ka5 h LEU 70 Ca 0.02 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.41 2ka5 h LEU 70 Cb 0.37 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2ka5 h LEU 70 CO 0.03 0.00 -1.85 0.61 -0.34 0.00 0.00 178.44 176.88 2ka5 n GLY 71 N -1.21 -0.82 0.30 3.75 0.00 -1.14 -4.30 105.19 101.76 2ka5 n GLY 71 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 2ka5 n GLY 71 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ka5 h VAL 72 N 0.03 1.23 -0.27 1.61 2.07 -0.59 -1.70 116.25 118.62 2ka5 h VAL 72 Ca -0.35 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.36 2ka5 h VAL 72 Cb 2.03 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 2ka5 h VAL 72 CO 0.08 0.32 -0.15 0.40 0.02 0.00 0.00 177.57 178.23 2ka5 h ILE 73 N 0.76 0.55 -0.36 4.57 5.03 -1.31 -0.34 117.51 126.41 2ka5 h ILE 73 Ca 0.16 0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.82 2ka5 h ILE 73 Cb 0.34 0.55 -0.02 0.00 -3.03 0.00 0.00 36.82 34.67 2ka5 h ILE 73 CO 0.01 0.00 -0.12 0.58 -0.68 0.00 0.00 178.15 177.94 2ka5 h VAL 74 N -0.12 1.24 -0.58 1.67 2.07 -1.67 -2.91 116.25 115.95 2ka5 h VAL 74 Ca 0.15 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.63 2ka5 h VAL 74 Cb 0.34 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2ka5 h VAL 74 CO -0.35 0.37 0.30 -1.13 0.02 0.00 0.00 177.57 176.78 2ka5 h ASN 75 N 0.58 0.43 -0.41 0.57 -0.73 -0.19 0.10 115.58 115.93 2ka5 h ASN 75 Ca 0.10 0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.32 2ka5 h ASN 75 Cb 0.54 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 2ka5 h ASN 75 CO 0.03 0.28 0.27 0.40 -0.37 0.00 0.00 177.43 178.05 2ka5 h ILE 76 N 0.57 1.07 -0.20 2.57 2.04 -0.98 -0.35 117.51 122.22 2ka5 h ILE 76 Ca 0.26 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 2ka5 h ILE 76 Cb 0.18 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2ka5 h ILE 76 CO -0.18 0.09 -0.20 0.25 0.00 0.00 0.00 178.15 178.11 2ka5 h LEU 77 N 0.50 0.52 -0.31 1.44 7.12 -0.69 -0.17 115.31 123.71 2ka5 h LEU 77 Ca 0.16 -0.48 0.02 0.00 0.13 0.00 0.00 57.88 57.71 2ka5 h LEU 77 Cb 0.03 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 39.99 2ka5 h LEU 77 CO -0.04 0.89 0.17 0.11 -0.13 0.00 0.00 178.44 179.44 2ka5 h LYS 78 N 0.15 0.34 0.13 1.25 1.57 -0.52 0.15 116.57 119.64 2ka5 h LYS 78 Ca 0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2ka5 h LYS 78 Cb 0.74 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 2ka5 h LYS 78 CO 0.05 0.22 -0.51 0.77 -0.57 0.00 0.00 179.45 179.41 2ka5 h SER 79 N 0.35 -1.54 -0.74 0.86 0.02 -1.00 -2.05 113.55 109.45 2ka5 h SER 79 Ca 0.13 0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.35 2ka5 h SER 79 Cb 0.02 0.57 -0.08 0.00 0.14 0.00 0.00 62.40 63.05 2ka5 h SER 79 CO -0.07 -0.55 0.37 0.40 -1.14 0.00 0.00 176.83 175.83 2ka5 h ILE 80 N -0.75 0.81 -0.24 3.27 2.04 -0.62 0.12 117.51 122.14 2ka5 h ILE 80 Ca -0.00 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.68 2ka5 h ILE 80 Cb 0.76 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2ka5 h ILE 80 CO -0.28 0.11 0.05 0.77 0.00 0.00 0.00 178.15 178.80 2ka5 h SER 81 N 0.60 0.02 -0.03 1.72 4.64 -0.41 0.20 113.55 120.28 2ka5 h SER 81 Ca 0.38 0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.65 2ka5 h SER 81 Cb 0.44 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2ka5 h SER 81 CO -0.30 0.04 -0.21 -1.28 -0.87 0.00 0.00 176.83 174.22 2ka5 h SER 82 N 0.15 0.41 0.64 4.97 0.87 -0.59 -1.40 113.55 118.60 2ka5 h SER 82 Ca 0.11 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2ka5 h SER 82 Cb 0.10 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2ka5 h SER 82 CO -0.14 0.64 0.00 0.28 -0.53 0.00 0.00 176.83 177.07 2ka5 h SER 83 N 0.38 0.00 0.00 6.23 0.02 -0.15 -3.47 113.55 116.56 2ka5 h SER 83 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ka5 h SER 83 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2ka5 h SER 83 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2ka5 n GLY 84 N -0.27 0.64 2.40 -3.77 0.00 -0.53 -5.06 105.19 98.60 2ka5 n GLY 84 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.02 0.73 3.12 -0.02 0.00 0.61 -4.98 105.19 102.63 2ka5 n GLY 85 Ca 0.00 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.80 0.78 -0.06 1.61 0.40 -0.43 -4.09 117.98 114.39 2ka5 s PHE 86 Ca 0.41 -0.75 -0.18 0.00 -0.60 0.00 0.00 56.93 55.80 2ka5 s PHE 86 Cb -0.02 -0.46 0.04 0.00 0.51 0.00 0.00 43.02 43.08 2ka5 s PHE 86 CO 0.27 -0.13 0.42 0.12 0.70 0.00 0.00 175.22 176.60 2ka5 s PHE 87 N -2.72 -0.36 0.11 0.36 5.36 -1.26 -3.06 117.98 116.41 2ka5 s PHE 87 Ca 0.03 0.70 -0.10 0.00 -0.96 0.00 0.00 56.93 56.59 2ka5 s PHE 87 Cb -0.01 0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 2ka5 s PHE 87 CO -0.03 -0.39 0.24 0.00 -1.46 0.00 0.00 175.22 173.58 2ka5 s ALA 88 N -0.86 -0.28 0.22 11.12 0.00 -1.17 -3.85 121.76 126.95 2ka5 s ALA 88 Ca -0.09 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.34 2ka5 s ALA 88 Cb -0.04 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 2ka5 s ALA 88 CO 0.04 -0.56 0.15 -0.51 0.00 0.00 0.00 175.76 174.89 2ka5 s LEU 89 N -2.87 3.73 -0.04 0.00 1.02 -0.10 -1.59 118.68 118.82 2ka5 s LEU 89 Ca 0.07 -0.26 -0.03 0.00 0.02 0.00 0.00 54.13 53.94 2ka5 s LEU 89 Cb 0.04 -2.29 0.02 0.00 0.02 0.00 0.00 46.19 43.98 2ka5 s LEU 89 CO -0.09 0.00 0.10 -0.69 0.02 0.00 0.00 176.35 175.69 2ka5 s VAL 90 N -2.01 -0.02 -1.22 -1.59 1.01 0.55 -0.46 120.40 116.65 2ka5 s VAL 90 Ca 0.32 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.18 2ka5 s VAL 90 Cb -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.15 2ka5 s VAL 90 CO 0.24 0.03 0.66 -0.24 0.00 0.00 0.00 175.10 175.79 2ka5 n SER 91 N 3.54 -3.84 -4.56 3.32 2.88 -0.44 -0.56 113.62 113.96 2ka5 n SER 91 Ca -0.19 -1.11 -0.30 0.00 -1.33 0.00 0.00 58.87 55.94 2ka5 n SER 91 Cb 0.56 -2.74 -0.05 0.00 -0.75 0.00 0.00 64.21 61.23 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 -6.57 2.82 0.58 -1.46 0.04 -1.26 -3.61 135.00 125.54 2ka5 s PRO 92 Ca 0.38 -0.61 -0.19 0.00 0.04 0.00 0.00 61.00 60.62 2ka5 s PRO 92 Cb -0.16 -5.16 -0.06 0.00 0.04 0.00 0.00 34.50 29.16 2ka5 s PRO 92 CO 0.91 -3.15 0.94 0.27 0.04 0.00 0.00 177.00 176.01 2ka5 n ASN 93 N 12.73 0.71 -0.16 6.66 6.94 -1.26 -4.36 115.26 136.52 2ka5 n ASN 93 Ca 0.39 0.83 0.15 0.00 -0.02 0.00 0.00 54.58 55.93 2ka5 n ASN 93 Cb 0.48 -1.37 0.51 0.00 -2.36 0.00 0.00 39.78 37.03 2ka5 n ASN 93 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2ka5 h GLU 94 N 0.59 0.40 -0.06 -3.83 4.81 -1.95 0.20 114.58 114.74 2ka5 h GLU 94 Ca -0.48 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2ka5 h GLU 94 Cb 1.36 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 2ka5 h GLU 94 CO 0.51 0.26 0.01 -0.22 -0.73 0.00 0.00 179.01 178.84 2ka5 h LYS 95 N 0.41 0.10 -0.18 1.92 3.11 -1.88 -2.52 116.57 117.52 2ka5 h LYS 95 Ca 0.36 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.17 2ka5 h LYS 95 Cb 0.83 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 2ka5 h LYS 95 CO -0.11 0.34 0.09 0.28 -2.81 0.00 0.00 179.45 177.24 2ka5 h VAL 96 N -0.16 1.12 -0.87 2.00 2.07 -0.81 -3.22 116.25 116.38 2ka5 h VAL 96 Ca 0.02 -0.34 0.14 0.00 0.82 0.00 0.00 66.70 67.33 2ka5 h VAL 96 Cb 0.29 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2ka5 h VAL 96 CO 0.00 0.11 0.56 -0.08 0.02 0.00 0.00 177.57 178.19 2ka5 h GLU 97 N 0.18 0.67 -0.05 1.57 4.22 -0.77 -0.39 114.58 120.01 2ka5 h GLU 97 Ca 0.06 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.49 2ka5 h GLU 97 Cb 0.10 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 2ka5 h GLU 97 CO -0.01 0.44 -0.50 -0.09 -2.18 0.00 0.00 179.01 176.67 2ka5 h ARG 98 N 0.69 -0.59 -0.29 1.92 1.12 -1.46 -0.90 114.38 114.87 2ka5 h ARG 98 Ca 0.43 0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 59.30 2ka5 h ARG 98 Cb 0.68 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.76 2ka5 h ARG 98 CO -0.19 -0.39 0.03 0.28 -3.11 0.00 0.00 179.97 176.59 2ka5 h VAL 99 N -0.61 1.24 0.00 0.20 2.07 -1.36 -1.77 116.25 116.02 2ka5 h VAL 99 Ca 0.03 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2ka5 h VAL 99 Cb 0.69 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2ka5 h VAL 99 CO -0.38 0.27 0.10 -0.07 0.02 0.00 0.00 177.57 177.51 2ka5 h LEU 100 N 0.30 0.00 -3.05 2.57 3.38 -0.50 0.17 115.31 118.19 2ka5 h LEU 100 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2ka5 h LEU 100 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2ka5 h LEU 100 CO 0.01 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.34 2ka5 n SER 101 N -2.63 2.68 0.00 -0.43 7.64 -0.40 -0.52 113.62 119.96 2ka5 n SER 101 Ca -0.02 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2ka5 n SER 101 Cb 0.14 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2ka5 n SER 101 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ka5 n LEU 102 N -0.81 0.00 -0.32 -3.43 4.77 0.28 -4.77 117.00 112.71 2ka5 n LEU 102 Ca 0.13 -0.16 0.04 0.00 -0.03 0.00 0.00 56.01 55.99 2ka5 n LEU 102 Cb 0.59 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 2ka5 n LEU 102 CO 0.05 0.00 0.40 1.07 -1.33 0.00 0.00 177.39 177.57 2ka5 n THR 103 N -1.10 0.11 -3.31 -5.08 5.66 0.35 -5.04 114.28 105.88 2ka5 n THR 103 Ca 0.00 -0.56 -0.27 0.00 -3.05 0.00 0.00 64.05 60.17 2ka5 n THR 103 Cb 0.00 1.08 0.03 0.00 -1.55 0.00 0.00 70.33 69.89 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 0.41 -6.22 -0.01 1.09 3.02 -1.24 -5.00 115.26 107.31 2ka5 n ASN 104 Ca 0.05 0.11 -0.04 0.00 -0.03 0.00 0.00 54.58 54.67 2ka5 n ASN 104 Cb 0.21 -2.54 -0.01 0.00 -0.61 0.00 0.00 39.78 36.83 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 0.01 0.64 0.06 3.41 -0.00 0.32 -4.67 117.00 116.77 2ka5 n LEU 105 Ca -0.03 0.10 0.07 0.00 -0.00 0.00 0.00 56.01 56.15 2ka5 n LEU 105 Cb 0.59 -0.23 0.33 0.00 -0.00 0.00 0.00 43.42 44.11 2ka5 n LEU 105 CO 0.47 -0.15 0.73 -0.90 -0.00 0.00 0.00 177.39 177.54 2ka5 n ASP 106 N -3.36 0.27 -1.05 1.96 5.75 -0.80 -1.19 116.55 118.12 2ka5 n ASP 106 Ca -0.07 0.59 0.12 0.00 -0.01 0.00 0.00 54.79 55.41 2ka5 n ASP 106 Cb 0.41 -0.64 0.22 0.00 -1.03 0.00 0.00 41.12 40.08 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 -1.82 2.39 0.00 0.11 1.74 -1.26 -4.41 116.66 113.41 2ka5 n ARG 107 Ca 0.01 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 2ka5 n ARG 107 Cb 0.12 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.33 0.00 -4.19 0.55 5.41 -0.65 -5.08 119.36 116.74 2ka5 n ILE 108 Ca 0.18 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.63 2ka5 n ILE 108 Cb 0.58 -0.23 -0.09 0.00 -0.71 0.00 0.00 39.64 39.19 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 -1.36 3.64 0.73 1.39 1.01 -0.33 -5.10 120.40 120.38 2ka5 s VAL 109 Ca 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 2ka5 s VAL 109 Cb 0.00 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.70 2ka5 s VAL 109 CO 0.00 0.12 1.08 -0.54 0.00 0.00 0.00 175.10 175.77 2ka5 s LYS 110 N -2.23 2.55 0.08 2.72 -0.14 -1.25 -4.55 119.74 116.92 2ka5 s LYS 110 Ca 0.23 1.15 0.04 0.00 -1.36 0.00 0.00 55.97 56.04 2ka5 s LYS 110 Cb -0.11 -1.93 -0.03 0.00 -1.68 0.00 0.00 37.83 34.07 2ka5 s LYS 110 CO 0.15 -1.42 -0.12 0.42 -0.76 0.00 0.00 175.35 173.62 2ka5 s ILE 111 N -2.83 0.99 0.27 2.17 1.09 -1.26 -0.93 121.20 120.71 2ka5 s ILE 111 Ca 0.61 -1.37 -0.07 0.00 -1.10 0.00 0.00 60.65 58.73 2ka5 s ILE 111 Cb -0.17 -1.09 -0.01 0.00 -1.06 0.00 0.00 42.46 40.14 2ka5 s ILE 111 CO 0.53 -0.34 0.41 -0.31 -0.10 0.00 0.00 174.94 175.13 2ka5 s TYR 112 N -1.60 0.78 -0.09 3.97 2.02 0.40 -4.88 117.35 117.95 2ka5 s TYR 112 Ca -0.01 -1.06 -0.07 0.00 -0.37 0.00 0.00 57.07 55.56 2ka5 s TYR 112 Cb -0.08 -0.06 -0.27 0.00 -0.40 0.00 0.00 41.96 41.14 2ka5 s TYR 112 CO 0.02 -0.97 0.49 -0.44 -1.57 0.00 0.00 175.55 173.08 2ka5 h ASP 113 N 2.28 0.45 -4.98 2.29 5.19 -1.94 -1.15 116.42 118.57 2ka5 h ASP 113 Ca -0.29 -0.88 -0.31 0.00 -0.62 0.00 0.00 57.03 54.93 2ka5 h ASP 113 Cb 1.25 -0.15 -0.15 0.00 0.18 0.00 0.00 39.33 40.46 2ka5 h ASP 113 CO 0.40 1.78 -0.61 0.42 -3.12 0.00 0.00 179.24 178.11 2ka5 s THR 114 N -2.57 0.31 0.12 0.35 -4.23 -1.26 -2.66 115.64 105.69 2ka5 s THR 114 Ca -0.19 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.15 2ka5 s THR 114 Cb 0.06 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 2ka5 s THR 114 CO 0.80 0.00 1.64 0.40 -0.54 0.00 0.00 174.62 176.92 2ka5 h ILE 115 N 2.46 1.21 -0.36 2.99 1.08 -1.97 -2.92 117.51 119.99 2ka5 h ILE 115 Ca -0.37 -0.67 -0.11 0.00 -0.39 0.00 0.00 64.86 63.33 2ka5 h ILE 115 Cb 1.25 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 2ka5 h ILE 115 CO 0.57 0.23 -0.21 -1.28 -0.69 0.00 0.00 178.15 176.77 2ka5 h SER 116 N 0.42 0.71 0.83 1.72 0.87 -1.99 0.22 113.55 116.33 2ka5 h SER 116 Ca 0.11 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2ka5 h SER 116 Cb 0.24 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2ka5 h SER 116 CO -0.00 0.90 0.00 -0.33 -0.53 0.00 0.00 176.83 176.87 2ka5 h GLU 117 N 0.62 0.00 0.01 2.24 5.08 -1.97 -2.56 114.58 118.00 2ka5 h GLU 117 Ca 0.09 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 2ka5 h GLU 117 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2ka5 h GLU 117 CO 0.05 0.00 -0.89 0.00 -1.00 0.00 0.00 179.01 177.17 2ka5 h ALA 118 N 2.25 0.18 -0.08 3.43 0.00 -0.95 -3.37 119.26 120.72 2ka5 h ALA 118 Ca 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 54.91 53.96 2ka5 h ALA 118 Cb 0.42 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2ka5 h ALA 118 CO 0.00 0.50 -0.16 1.98 0.00 0.00 0.00 179.25 181.57 2ka5 h MET 119 N -0.93 -0.22 0.00 0.00 4.05 -0.20 0.26 114.93 117.90 2ka5 h MET 119 Ca -0.24 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2ka5 h MET 119 Cb 1.26 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2ka5 h MET 119 CO -0.12 -0.15 0.00 -0.85 0.23 0.00 0.00 176.91 176.02 2ka5 n GLU 120 N -5.30 0.14 -0.09 0.39 0.28 -1.21 -3.61 120.64 111.23 2ka5 n GLU 120 Ca -0.04 0.12 -0.18 0.00 -0.16 0.00 0.00 57.16 56.90 2ka5 n GLU 120 Cb 0.22 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.53 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 -1.40 0.45 -0.25 3.44 2.13 0.73 -4.36 120.64 121.38 2ka5 n GLU 121 Ca 0.07 0.19 0.24 0.00 0.66 0.00 0.00 57.16 58.32 2ka5 n GLU 121 Cb 0.21 -1.26 0.59 0.00 0.27 0.00 0.00 31.44 31.24 2ka5 n GLU 121 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ka5 h VAL 122 N -0.79 0.58 -1.20 6.31 2.07 -1.20 0.44 116.25 122.47 2ka5 h VAL 122 Ca -0.38 -0.09 0.39 0.00 0.82 0.00 0.00 66.70 67.44 2ka5 h VAL 122 Cb 1.26 0.30 -0.13 0.00 -1.52 0.00 0.00 31.29 31.20 2ka5 h VAL 122 CO -0.23 0.05 0.75 0.03 0.02 0.00 0.00 177.57 178.19 2ka5 h ARG 123 N 0.27 0.16 0.00 1.57 2.47 -1.76 -3.06 114.38 114.03 2ka5 h ARG 123 Ca 0.50 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 59.15 2ka5 h ARG 123 Cb 1.48 -0.04 -0.13 0.00 -1.65 0.00 0.00 29.97 29.64 2ka5 h ARG 123 CO -0.15 0.11 -0.63 2.89 0.56 0.00 0.00 179.97 182.75 2ka5 n ARG 124 N -4.78 0.24 0.00 0.04 0.00 0.14 -5.15 116.66 107.15 2ka5 n ARG 124 Ca 0.34 -1.66 0.00 0.00 -0.00 0.00 0.00 57.85 56.53 2ka5 n ARG 124 Cb 1.26 -0.51 0.00 0.00 -0.00 0.00 0.00 32.46 33.21 2ka5 n ARG 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26