#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 0.65 3.48 -5.12 0.00 -1.26 -5.10 105.19 97.85 2ka5 n GLY 2 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 2ka5 n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ka5 s SER 3 N -2.79 -0.59 -0.27 1.61 1.04 -1.26 -5.17 113.70 106.28 2ka5 s SER 3 Ca 0.00 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.10 2ka5 s SER 3 Cb 0.00 0.61 0.16 0.00 0.10 0.00 0.00 66.02 66.88 2ka5 s SER 3 CO 0.00 -0.53 0.50 1.51 0.98 0.00 0.00 173.24 175.70 2ka5 s ASP 4 N -1.01 -0.65 -1.17 7.02 -4.77 -1.26 -4.96 116.67 109.87 2ka5 s ASP 4 Ca -0.10 0.67 0.00 0.00 -3.30 0.00 0.00 52.55 49.82 2ka5 s ASP 4 Cb -0.01 1.70 0.00 0.00 -1.09 0.00 0.00 42.92 43.52 2ka5 s ASP 4 CO 0.08 -0.27 0.00 1.17 0.70 0.00 0.00 175.17 176.85 2ka5 n LYS 5 N 5.40 -2.12 -1.27 2.11 3.00 -1.26 -4.85 118.16 119.18 2ka5 n LYS 5 Ca -0.03 0.66 -0.21 0.00 -0.00 0.00 0.00 58.31 58.73 2ka5 n LYS 5 Cb 0.50 -5.26 -0.11 0.00 0.00 0.00 0.00 35.03 30.17 2ka5 n LYS 5 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2ka5 n ILE 6 N -3.42 3.32 -3.48 3.15 0.13 -1.26 -4.79 119.36 113.00 2ka5 n ILE 6 Ca -0.16 -2.31 -0.15 0.00 -1.10 0.00 0.00 62.75 59.03 2ka5 n ILE 6 Cb 0.62 -1.87 -0.04 0.00 -0.84 0.00 0.00 39.64 37.50 2ka5 n ILE 6 CO 0.00 0.00 0.00 -1.38 2.80 0.00 0.00 176.55 177.97 2ka5 s HIS 7 N -0.14 -0.59 0.10 9.51 -3.43 -1.26 -5.19 115.29 114.28 2ka5 s HIS 7 Ca 0.63 0.78 0.01 0.00 -0.80 0.00 0.00 55.06 55.69 2ka5 s HIS 7 Cb 0.33 0.47 0.02 0.00 -1.43 0.00 0.00 32.58 31.97 2ka5 s HIS 7 CO -0.10 -0.69 0.13 1.58 -2.00 0.00 0.00 174.74 173.66 2ka5 n HIS 8 N 0.38 -2.93 -2.54 0.38 -0.00 -1.26 -5.04 115.22 104.20 2ka5 n HIS 8 Ca -0.18 -0.34 -0.41 0.00 0.46 0.00 0.00 57.72 57.26 2ka5 n HIS 8 Cb 0.60 -0.09 -0.03 0.00 -0.12 0.00 0.00 29.99 30.35 2ka5 n HIS 8 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2ka5 s HIS 9 N 0.35 2.35 0.03 1.57 2.46 -1.26 -5.00 115.29 115.79 2ka5 s HIS 9 Ca 0.10 0.10 0.03 0.00 0.47 0.00 0.00 55.06 55.76 2ka5 s HIS 9 Cb -0.01 -4.59 -0.02 0.00 -0.13 0.00 0.00 32.58 27.84 2ka5 s HIS 9 CO 0.06 -1.96 -0.11 -1.01 -2.47 0.00 0.00 174.74 169.26 2ka5 s HIS 10 N 5.61 0.93 0.70 3.88 3.76 -1.26 -5.15 115.29 123.75 2ka5 s HIS 10 Ca 0.38 -0.33 -0.13 0.00 -0.15 0.00 0.00 55.06 54.83 2ka5 s HIS 10 Cb -0.08 -0.56 0.02 0.00 1.11 0.00 0.00 32.58 33.07 2ka5 s HIS 10 CO 0.18 -0.01 1.10 -1.01 -0.85 0.00 0.00 174.74 174.16 2ka5 s HIS 11 N -0.81 2.63 -0.27 1.40 3.76 -1.26 -5.05 115.29 115.69 2ka5 s HIS 11 Ca -0.01 1.55 -0.01 0.00 -0.15 0.00 0.00 55.06 56.44 2ka5 s HIS 11 Cb -0.07 -3.12 0.04 0.00 1.11 0.00 0.00 32.58 30.55 2ka5 s HIS 11 CO 0.01 -1.70 -0.05 -1.01 -0.85 0.00 0.00 174.74 171.14 2ka5 s HIS 12 N -2.54 3.18 -0.12 1.40 0.09 -1.26 -5.08 115.29 110.96 2ka5 s HIS 12 Ca 0.65 -1.86 -0.04 0.00 -0.00 0.00 0.00 55.06 53.81 2ka5 s HIS 12 Cb -0.19 -2.05 0.06 0.00 -0.00 0.00 0.00 32.58 30.40 2ka5 s HIS 12 CO 0.46 -0.80 0.21 -1.64 -0.00 0.00 0.00 174.74 172.97 2ka5 s MET 13 N 1.24 0.10 0.16 1.40 -1.94 -1.26 -5.15 119.30 113.85 2ka5 s MET 13 Ca -0.04 0.56 -0.01 0.00 -1.71 0.00 0.00 55.69 54.50 2ka5 s MET 13 Cb -0.19 -0.36 -0.04 0.00 2.01 0.00 0.00 34.83 36.26 2ka5 s MET 13 CO -0.03 -0.36 0.06 -0.06 -0.01 0.00 0.00 175.02 174.62 2ka5 s PHE 14 N 2.34 1.00 -1.04 -0.03 0.08 -1.26 -5.08 117.98 114.00 2ka5 s PHE 14 Ca 0.03 -1.23 -0.23 0.00 0.12 0.00 0.00 56.93 55.62 2ka5 s PHE 14 Cb -0.13 -0.55 -0.02 0.00 -0.57 0.00 0.00 43.02 41.76 2ka5 s PHE 14 CO -0.08 -0.49 1.79 -1.25 -0.10 0.00 0.00 175.22 175.10 2ka5 s PRO 15 N -4.05 2.97 0.17 0.24 0.04 -1.26 -4.84 135.00 128.27 2ka5 s PRO 15 Ca 0.28 -0.88 -0.24 0.00 0.04 0.00 0.00 61.00 60.20 2ka5 s PRO 15 Cb 0.07 -5.23 0.07 0.00 0.04 0.00 0.00 34.50 29.45 2ka5 s PRO 15 CO 0.05 -3.08 0.98 1.52 0.04 0.00 0.00 177.00 176.51 2ka5 s TYR 16 N 8.30 -0.07 0.27 0.56 1.13 -1.26 -1.74 117.35 124.54 2ka5 s TYR 16 Ca 0.62 -0.27 0.02 0.00 -1.41 0.00 0.00 57.07 56.03 2ka5 s TYR 16 Cb -0.03 0.66 -0.04 0.00 -1.10 0.00 0.00 41.96 41.46 2ka5 s TYR 16 CO 0.01 -0.86 0.16 0.21 -2.51 0.00 0.00 175.55 172.56 2ka5 s LYS 17 N -2.96 1.48 -0.02 -3.49 2.20 0.37 -4.98 119.74 112.34 2ka5 s LYS 17 Ca 0.15 -1.82 0.01 0.00 -0.36 0.00 0.00 55.97 53.95 2ka5 s LYS 17 Cb -0.02 0.07 0.01 0.00 -1.51 0.00 0.00 37.83 36.38 2ka5 s LYS 17 CO 0.03 -0.45 -0.04 0.42 -0.36 0.00 0.00 175.35 174.95 2ka5 s ILE 18 N -3.77 0.43 0.00 5.43 1.01 -1.26 -0.03 121.20 123.01 2ka5 s ILE 18 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2ka5 s ILE 18 Cb 0.05 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 42.10 2ka5 s ILE 18 CO 0.17 0.16 0.00 1.33 0.00 0.00 0.00 174.94 176.60 2ka5 n VAL 19 N 3.51 0.00 0.00 2.92 0.24 0.61 -4.99 118.33 120.62 2ka5 n VAL 19 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2ka5 n VAL 19 Cb 0.54 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 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 -2.18 0.00 -2.09 -1.34 2.03 -1.26 -2.29 116.55 109.43 2ka5 n ASP 20 Ca 0.00 0.11 -0.03 0.00 0.52 0.00 0.00 54.79 55.39 2ka5 n ASP 20 Cb 0.00 -0.03 0.05 0.00 -0.72 0.00 0.00 41.12 40.42 2ka5 n ASP 20 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ka5 n ASP 21 N -1.22 2.05 -3.96 1.67 8.00 -1.26 -5.08 116.55 116.74 2ka5 n ASP 21 Ca 0.00 -2.54 -0.09 0.00 0.71 0.00 0.00 54.79 52.87 2ka5 n ASP 21 Cb 0.00 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 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 -2.87 0.13 0.14 2.53 1.01 -0.97 -4.50 120.40 115.87 2ka5 s VAL 22 Ca 0.34 -1.09 0.08 0.00 0.00 0.00 0.00 61.98 61.31 2ka5 s VAL 22 Cb 0.36 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2ka5 s VAL 22 CO -0.06 -0.60 -0.09 0.68 0.00 0.00 0.00 175.10 175.02 2ka5 s VAL 23 N -2.31 3.31 -0.43 2.92 -7.23 -1.07 -0.28 120.40 115.31 2ka5 s VAL 23 Ca -0.08 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 2ka5 s VAL 23 Cb -0.03 -2.59 0.14 0.00 0.56 0.00 0.00 36.38 34.46 2ka5 s VAL 23 CO -0.04 0.01 0.25 -0.63 -0.31 0.00 0.00 175.10 174.39 2ka5 s ILE 24 N -1.43 1.11 0.76 -0.62 1.09 0.95 -0.02 121.20 123.04 2ka5 s ILE 24 Ca 0.23 -2.47 -0.12 0.00 -1.10 0.00 0.00 60.65 57.19 2ka5 s ILE 24 Cb -0.10 -1.78 0.06 0.00 -1.06 0.00 0.00 42.46 39.58 2ka5 s ILE 24 CO 0.14 -0.95 1.12 -0.76 -0.10 0.00 0.00 174.94 174.39 2ka5 s LEU 25 N 0.39 3.11 -0.41 2.97 2.01 0.98 -0.48 118.68 127.25 2ka5 s LEU 25 Ca 0.19 1.97 0.01 0.00 0.01 0.00 0.00 54.13 56.32 2ka5 s LEU 25 Cb -0.20 -4.54 0.24 0.00 0.01 0.00 0.00 46.19 41.69 2ka5 s LEU 25 CO -0.02 -2.13 1.02 1.15 1.01 0.00 0.00 176.35 177.37 2ka5 n MET 26 N -3.30 0.40 -2.10 1.70 0.00 -0.71 -0.25 117.12 112.87 2ka5 n MET 26 Ca 0.10 -1.26 -0.42 0.00 0.00 0.00 0.00 57.70 56.12 2ka5 n MET 26 Cb 0.52 -0.77 -0.03 0.00 0.00 0.00 0.00 33.22 32.94 2ka5 n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2ka5 s PRO 27 N 0.57 4.20 -1.23 3.17 0.04 -1.26 -4.66 135.00 135.83 2ka5 s PRO 27 Ca 0.28 2.08 -0.14 0.00 0.04 0.00 0.00 61.00 63.26 2ka5 s PRO 27 Cb 0.17 -3.88 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 2ka5 s PRO 27 CO -0.14 -0.79 2.28 0.27 0.04 0.00 0.00 177.00 178.66 2ka5 n ASN 28 N 6.76 4.63 0.00 6.66 2.04 -1.26 -4.13 115.26 129.96 2ka5 n ASN 28 Ca 0.16 -2.67 0.00 0.00 -0.44 0.00 0.00 54.58 51.64 2ka5 n ASN 28 Cb 0.43 -1.41 0.00 0.00 -2.53 0.00 0.00 39.78 36.27 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 5.56 -1.63 0.00 -3.83 4.01 -1.26 -4.86 118.16 116.15 2ka5 n LYS 29 Ca 0.55 0.41 0.00 0.00 -0.51 0.00 0.00 58.31 58.76 2ka5 n LYS 29 Cb 0.32 -4.80 0.00 0.00 -0.51 0.00 0.00 35.03 30.04 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 0.38 0.85 -2.88 1.97 0.28 -1.26 -4.58 120.64 115.39 2ka5 n GLU 30 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.56 2ka5 n GLU 30 Cb 0.41 -1.19 -0.00 0.00 1.43 0.00 0.00 31.44 32.09 2ka5 n GLU 30 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ka5 s LEU 31 N 0.00 4.84 0.05 -1.84 1.02 -1.26 -4.79 118.68 116.70 2ka5 s LEU 31 Ca 0.00 -2.92 -0.01 0.00 0.02 0.00 0.00 54.13 51.22 2ka5 s LEU 31 Cb 0.00 -2.43 -0.04 0.00 0.02 0.00 0.00 46.19 43.74 2ka5 s LEU 31 CO 0.00 -0.82 0.22 0.54 0.02 0.00 0.00 176.35 176.31 2ka5 s ASN 32 N 3.06 6.38 0.52 2.29 2.20 -1.26 -4.78 114.94 123.34 2ka5 s ASN 32 Ca 0.45 0.32 0.24 0.00 -0.94 0.00 0.00 52.86 52.93 2ka5 s ASN 32 Cb -0.02 -1.98 1.36 0.00 -2.00 0.00 0.00 41.25 38.61 2ka5 s ASN 32 CO 0.02 0.19 1.98 -0.29 -2.94 0.00 0.00 177.10 176.05 2ka5 h ILE 33 N 2.28 0.73 0.58 0.54 2.10 -1.98 -0.85 117.51 120.90 2ka5 h ILE 33 Ca -0.46 -0.02 -0.03 0.00 1.08 0.00 0.00 64.86 65.43 2ka5 h ILE 33 Cb 1.17 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 2ka5 h ILE 33 CO 0.74 0.01 -0.32 -0.33 -1.08 0.00 0.00 178.15 177.17 2ka5 h GLU 34 N 0.06 -0.80 -0.65 2.19 5.08 -1.96 -2.82 114.58 115.68 2ka5 h GLU 34 Ca 0.28 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.82 2ka5 h GLU 34 Cb 1.04 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 30.38 2ka5 h GLU 34 CO -0.02 -0.53 0.18 -0.97 -1.00 0.00 0.00 179.01 176.67 2ka5 h ASN 35 N -0.83 0.09 -0.97 1.42 -1.24 -1.71 -2.06 115.58 110.28 2ka5 h ASN 35 Ca -0.08 0.11 0.15 0.00 0.71 0.00 0.00 56.30 57.20 2ka5 h ASN 35 Cb 0.65 0.13 -0.10 0.00 0.73 0.00 0.00 38.32 39.74 2ka5 h ASN 35 CO 0.11 0.04 0.58 0.00 -1.29 0.00 0.00 177.43 176.87 2ka5 h ALA 36 N 1.50 1.53 -0.17 1.57 0.00 -1.11 0.32 119.26 122.90 2ka5 h ALA 36 Ca 0.34 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 2ka5 h ALA 36 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2ka5 h ALA 36 CO -0.40 0.05 0.05 1.25 0.00 0.00 0.00 179.25 180.19 2ka5 h HIS 37 N 0.82 0.28 -0.04 0.00 -0.00 -1.11 -3.19 115.15 111.91 2ka5 h HIS 37 Ca 0.52 -0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.72 2ka5 h HIS 37 Cb 0.69 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.00 2ka5 h HIS 37 CO -0.02 0.39 -0.63 -0.07 -0.00 0.00 0.00 177.93 177.59 2ka5 h LEU 38 N 0.09 0.17 -1.00 0.26 -0.00 -1.24 -3.22 115.31 110.36 2ka5 h LEU 38 Ca 0.05 -0.10 0.39 0.00 -0.00 0.00 0.00 57.88 58.22 2ka5 h LEU 38 Cb 0.24 -0.05 -0.17 0.00 -0.00 0.00 0.00 40.66 40.68 2ka5 h LEU 38 CO -0.00 0.76 0.53 0.15 -0.00 0.00 0.00 178.44 179.87 2ka5 h PHE 39 N 0.11 0.82 0.00 1.13 3.57 -0.40 0.40 116.94 122.57 2ka5 h PHE 39 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2ka5 h PHE 39 Cb 1.13 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2ka5 h PHE 39 CO 0.01 -0.39 0.00 1.17 -2.23 0.00 0.00 178.31 176.87 2ka5 n LYS 40 N -5.21 0.00 -0.20 1.11 4.81 -1.22 -1.50 118.16 115.95 2ka5 n LYS 40 Ca 0.36 0.51 0.13 0.00 -0.87 0.00 0.00 58.31 58.44 2ka5 n LYS 40 Cb 1.18 -1.39 0.45 0.00 0.02 0.00 0.00 35.03 35.28 2ka5 n LYS 40 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2ka5 h LYS 41 N 0.00 0.53 0.00 1.64 1.79 -0.59 0.91 116.57 120.85 2ka5 h LYS 41 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2ka5 h LYS 41 Cb 0.00 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 2ka5 h LYS 41 CO 0.00 0.35 0.00 1.87 -1.08 0.00 0.00 179.45 180.59 2ka5 n TRP 42 N -4.51 0.00 -0.32 -1.35 -0.00 0.76 -0.89 117.44 111.13 2ka5 n TRP 42 Ca 0.15 0.00 0.22 0.00 -0.00 0.00 0.00 57.50 57.87 2ka5 n TRP 42 Cb 0.48 -0.34 0.51 0.00 -0.00 0.00 0.00 31.31 31.96 2ka5 n TRP 42 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2ka5 h VAL 43 N 0.00 0.53 0.44 5.87 2.07 -0.81 0.13 116.25 124.48 2ka5 h VAL 43 Ca 0.00 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2ka5 h VAL 43 Cb 0.00 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2ka5 h VAL 43 CO 0.00 0.07 -0.21 -0.26 0.02 0.00 0.00 177.57 177.19 2ka5 h PHE 44 N 0.40 -0.55 -0.08 1.57 -1.00 -0.86 -1.58 116.94 114.84 2ka5 h PHE 44 Ca 0.59 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 61.27 2ka5 h PHE 44 Cb 1.48 0.18 -0.01 0.00 3.61 0.00 0.00 35.95 41.21 2ka5 h PHE 44 CO -0.00 -0.23 -0.35 -0.44 -1.61 0.00 0.00 178.31 175.67 2ka5 h ASP 45 N -1.01 0.16 1.04 2.17 3.32 -0.36 0.31 116.42 122.06 2ka5 h ASP 45 Ca -0.06 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2ka5 h ASP 45 Cb 0.56 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 2ka5 h ASP 45 CO 0.10 0.51 -0.97 -0.08 -1.72 0.00 0.00 179.24 177.08 2ka5 h GLU 46 N 0.14 0.00 0.00 3.56 4.57 -0.82 -3.36 114.58 118.67 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 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2ka5 h GLU 46 CO 0.05 0.03 -0.20 1.19 -1.18 0.00 0.00 179.01 178.91 2ka5 n PHE 47 N -2.73 -0.70 -0.26 0.92 3.72 -0.62 -4.62 117.46 113.17 2ka5 n PHE 47 Ca -0.01 0.12 -0.07 0.00 -0.05 0.00 0.00 57.45 57.45 2ka5 n PHE 47 Cb 0.58 0.37 0.06 0.00 -0.94 0.00 0.00 39.48 39.54 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 1.09 -0.41 4.37 3.38 -1.00 -0.66 115.31 122.07 2ka5 h LEU 48 Ca 0.00 -0.22 -0.18 0.00 0.09 0.00 0.00 57.88 57.57 2ka5 h LEU 48 Cb 0.20 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2ka5 h LEU 48 CO 0.00 1.02 -0.69 0.78 0.09 0.00 0.00 178.44 179.64 2ka5 h ASN 49 N 1.10 0.54 -0.15 -0.43 2.35 -0.64 -3.23 115.58 115.12 2ka5 h ASN 49 Ca 0.23 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2ka5 h ASN 49 Cb 0.34 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 2ka5 h ASN 49 CO -0.00 1.08 -0.08 0.11 -1.65 0.00 0.00 177.43 176.88 2ka5 h LYS 50 N 0.32 -0.07 0.00 0.81 6.56 -1.52 -3.47 116.57 119.21 2ka5 h LYS 50 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2ka5 h LYS 50 Cb 1.27 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2ka5 h LYS 50 CO 0.12 -0.04 0.00 0.41 -2.06 0.00 0.00 179.45 177.88 2ka5 n GLY 51 N -1.22 -0.79 3.79 3.86 0.00 -0.43 -5.07 105.19 105.31 2ka5 n GLY 51 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.18 2.81 -0.03 1.61 1.51 -0.39 -4.99 117.35 117.70 2ka5 s TYR 52 Ca 0.00 1.52 0.04 0.00 -1.01 0.00 0.00 57.07 57.63 2ka5 s TYR 52 Cb 0.00 -3.07 0.06 0.00 -0.11 0.00 0.00 41.96 38.85 2ka5 s TYR 52 CO 0.00 -1.42 0.90 0.09 -1.11 0.00 0.00 175.55 174.01 2ka5 n ASN 53 N -2.39 0.91 -3.29 2.29 4.13 -1.26 -4.43 115.26 111.22 2ka5 n ASN 53 Ca 0.09 -1.97 -0.07 0.00 1.68 0.00 0.00 54.58 54.32 2ka5 n ASN 53 Cb 0.53 -0.16 -0.06 0.00 -1.54 0.00 0.00 39.78 38.55 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 -0.83 0.42 0.20 3.52 1.02 -1.25 -0.83 119.74 121.98 2ka5 s LYS 54 Ca 0.07 0.42 0.10 0.00 0.02 0.00 0.00 55.97 56.58 2ka5 s LYS 54 Cb 0.06 -0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 2ka5 s LYS 54 CO 0.01 -0.83 -0.13 0.42 -0.92 0.00 0.00 175.35 173.89 2ka5 s ILE 55 N 2.60 2.95 0.17 2.17 1.09 -1.14 -2.60 121.20 126.44 2ka5 s ILE 55 Ca 0.12 -1.82 0.05 0.00 -1.10 0.00 0.00 60.65 57.90 2ka5 s ILE 55 Cb -0.14 -2.47 -0.05 0.00 -1.06 0.00 0.00 42.46 38.75 2ka5 s ILE 55 CO -0.23 -0.15 -0.10 -0.36 -0.10 0.00 0.00 174.94 174.00 2ka5 s PHE 56 N -1.80 1.41 -0.29 3.97 0.08 0.97 -3.02 117.98 119.30 2ka5 s PHE 56 Ca 0.25 -0.73 0.01 0.00 0.12 0.00 0.00 56.93 56.57 2ka5 s PHE 56 Cb -0.08 -0.71 0.08 0.00 -0.57 0.00 0.00 43.02 41.74 2ka5 s PHE 56 CO 0.14 0.14 0.03 -1.17 -0.10 0.00 0.00 175.22 174.26 2ka5 s LEU 57 N -3.22 2.97 0.27 -0.37 2.96 -0.38 -0.01 118.68 120.90 2ka5 s LEU 57 Ca 0.19 -1.58 -0.29 0.00 -0.22 0.00 0.00 54.13 52.24 2ka5 s LEU 57 Cb 0.02 -1.16 -0.09 0.00 0.50 0.00 0.00 46.19 45.45 2ka5 s LEU 57 CO 0.03 -0.34 0.97 -0.69 -1.32 0.00 0.00 176.35 175.00 2ka5 s VAL 58 N 1.36 3.99 -0.03 1.68 1.01 0.66 -1.02 120.40 128.06 2ka5 s VAL 58 Ca 0.04 1.90 0.04 0.00 0.00 0.00 0.00 61.98 63.96 2ka5 s VAL 58 Cb -0.18 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.09 2ka5 s VAL 58 CO -0.13 0.37 0.98 0.18 0.00 0.00 0.00 175.10 176.50 2ka5 n LEU 59 N 1.16 1.80 -0.26 3.92 4.32 -0.59 -4.10 117.00 123.25 2ka5 n LEU 59 Ca -0.01 -1.97 0.06 0.00 -0.02 0.00 0.00 56.01 54.08 2ka5 n LEU 59 Cb 0.47 -0.08 0.20 0.00 -1.62 0.00 0.00 43.42 42.39 2ka5 n LEU 59 CO 0.49 0.48 0.98 -1.28 -1.22 0.00 0.00 177.39 176.85 2ka5 h SER 60 N 0.00 0.17 -0.13 -1.43 0.87 -1.56 -1.64 113.55 109.84 2ka5 h SER 60 Ca 0.00 0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 2ka5 h SER 60 Cb 0.68 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2ka5 h SER 60 CO 0.00 0.03 -0.32 0.44 -0.53 0.00 0.00 176.83 176.45 2ka5 h ASP 61 N 0.36 0.64 -3.71 6.23 3.32 -1.86 -3.44 116.42 117.96 2ka5 h ASP 61 Ca 0.43 -0.26 -0.66 0.00 0.02 0.00 0.00 57.03 56.57 2ka5 h ASP 61 Cb 0.72 -0.18 -0.21 0.00 0.22 0.00 0.00 39.33 39.89 2ka5 h ASP 61 CO -0.47 0.92 -0.56 0.54 -1.72 0.00 0.00 179.24 177.95 2ka5 s VAL 62 N -4.40 4.75 0.08 -1.35 0.11 -0.62 -4.62 120.40 114.35 2ka5 s VAL 62 Ca -0.08 -0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 58.63 2ka5 s VAL 62 Cb 0.13 -3.33 -0.24 0.00 -1.53 0.00 0.00 36.38 31.41 2ka5 s VAL 62 CO 0.82 0.17 1.19 -0.08 -3.33 0.00 0.00 175.10 173.87 2ka5 h GLU 63 N 8.34 0.68 -4.33 1.54 4.81 -1.85 -3.47 114.58 120.29 2ka5 h GLU 63 Ca -0.34 -0.74 -0.16 0.00 -0.13 0.00 0.00 59.36 57.99 2ka5 h GLU 63 Cb 1.16 0.22 -0.15 0.00 0.63 0.00 0.00 28.75 30.61 2ka5 h GLU 63 CO 0.59 1.32 -0.65 -1.54 -0.73 0.00 0.00 179.01 178.00 2ka5 s SER 64 N -7.29 0.37 0.06 1.04 1.04 -1.26 -4.17 113.70 103.48 2ka5 s SER 64 Ca -0.09 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.24 2ka5 s SER 64 Cb 0.07 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 2ka5 s SER 64 CO 0.92 -0.68 -0.06 -0.51 0.98 0.00 0.00 173.24 173.88 2ka5 s ILE 65 N -3.99 0.52 0.45 -1.02 2.07 -1.26 -4.92 121.20 113.05 2ka5 s ILE 65 Ca 0.17 -1.46 -0.04 0.00 -1.41 0.00 0.00 60.65 57.91 2ka5 s ILE 65 Cb 0.08 -1.07 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2ka5 s ILE 65 CO -0.03 -0.64 0.73 -1.81 -1.91 0.00 0.00 174.94 171.28 2ka5 s ASP 66 N -2.25 6.26 0.18 4.50 1.11 -1.26 -4.91 116.67 120.30 2ka5 s ASP 66 Ca -0.01 0.82 0.15 0.00 0.18 0.00 0.00 52.55 53.69 2ka5 s ASP 66 Cb -0.03 -2.19 0.75 0.00 1.07 0.00 0.00 42.92 42.52 2ka5 s ASP 66 CO -0.03 -0.52 1.46 -0.24 1.18 0.00 0.00 175.17 177.02 2ka5 n SER 67 N -2.16 0.36 0.04 0.27 2.88 -1.26 -1.82 113.62 111.92 2ka5 n SER 67 Ca -0.01 0.64 -0.02 0.00 -1.33 0.00 0.00 58.87 58.16 2ka5 n SER 67 Cb 0.55 -0.70 -0.01 0.00 -0.75 0.00 0.00 64.21 63.31 2ka5 n SER 67 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2ka5 h PHE 68 N 0.00 -0.09 -0.01 0.66 3.57 -2.02 -3.40 116.94 115.64 2ka5 h PHE 68 Ca 0.00 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 2ka5 h PHE 68 Cb 0.09 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2ka5 h PHE 68 CO 0.00 -0.06 -0.53 0.77 -2.23 0.00 0.00 178.31 176.26 2ka5 h SER 69 N -0.20 0.03 -0.91 0.41 0.02 -1.85 -2.56 113.55 108.50 2ka5 h SER 69 Ca -0.01 -0.02 0.23 0.00 -0.84 0.00 0.00 61.79 61.16 2ka5 h SER 69 Cb 0.08 -0.01 -0.13 0.00 0.14 0.00 0.00 62.40 62.48 2ka5 h SER 69 CO 0.02 0.56 0.40 -0.07 -1.14 0.00 0.00 176.83 176.59 2ka5 h LEU 70 N 0.02 0.32 -0.83 5.07 3.38 -1.58 0.11 115.31 121.80 2ka5 h LEU 70 Ca -0.00 0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2ka5 h LEU 70 Cb 0.95 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2ka5 h LEU 70 CO 0.07 -0.03 -0.58 1.23 0.09 0.00 0.00 178.44 179.22 2ka5 h GLY 71 N 0.38 0.00 1.53 0.83 0.00 -1.66 -2.78 103.07 101.36 2ka5 h GLY 71 Ca 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.80 2ka5 h GLY 71 CO -0.55 0.00 -0.29 -2.08 0.00 0.00 0.00 176.54 173.63 2ka5 h VAL 72 N 0.00 1.28 -0.34 4.60 2.07 -0.89 -2.14 116.25 120.83 2ka5 h VAL 72 Ca -0.01 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.20 2ka5 h VAL 72 Cb 1.04 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 2ka5 h VAL 72 CO 0.08 0.43 0.10 0.40 0.02 0.00 0.00 177.57 178.60 2ka5 h ILE 73 N 0.47 0.89 -0.90 4.57 5.03 -1.07 -0.85 117.51 125.64 2ka5 h ILE 73 Ca 0.06 -0.08 -0.01 0.00 -0.12 0.00 0.00 64.86 64.71 2ka5 h ILE 73 Cb 0.74 0.62 -0.04 0.00 -3.03 0.00 0.00 36.82 35.11 2ka5 h ILE 73 CO 0.06 0.04 0.54 0.58 -0.68 0.00 0.00 178.15 178.69 2ka5 h VAL 74 N 0.24 1.25 -0.74 1.67 2.07 -1.49 -3.05 116.25 116.21 2ka5 h VAL 74 Ca 0.15 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.15 2ka5 h VAL 74 Cb 0.14 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.85 2ka5 h VAL 74 CO -0.17 0.26 0.48 -1.13 0.02 0.00 0.00 177.57 177.03 2ka5 h ASN 75 N 1.24 0.81 -0.76 0.57 -0.73 -0.51 0.99 115.58 117.20 2ka5 h ASN 75 Ca 0.32 -0.01 0.11 0.00 1.87 0.00 0.00 56.30 58.59 2ka5 h ASN 75 Cb -0.05 -0.19 -0.08 0.00 0.27 0.00 0.00 38.32 38.27 2ka5 h ASN 75 CO -0.06 0.58 0.38 0.40 -0.37 0.00 0.00 177.43 178.36 2ka5 h ILE 76 N 0.96 0.80 -0.10 2.57 2.04 -1.27 -1.29 117.51 121.22 2ka5 h ILE 76 Ca 0.28 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2ka5 h ILE 76 Cb -0.06 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2ka5 h ILE 76 CO -0.08 0.11 -0.00 0.25 0.00 0.00 0.00 178.15 178.43 2ka5 h LEU 77 N 0.60 0.18 -0.42 1.44 7.12 -0.79 -0.65 115.31 122.79 2ka5 h LEU 77 Ca 0.39 -0.32 0.06 0.00 0.13 0.00 0.00 57.88 58.14 2ka5 h LEU 77 Cb 0.47 -0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.50 2ka5 h LEU 77 CO -0.31 0.45 0.11 0.11 -0.13 0.00 0.00 178.44 178.67 2ka5 h LYS 78 N -0.11 0.24 -0.31 1.25 1.57 -0.90 0.43 116.57 118.75 2ka5 h LYS 78 Ca 0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2ka5 h LYS 78 Cb 0.37 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2ka5 h LYS 78 CO 0.01 0.16 0.16 0.77 -0.57 0.00 0.00 179.45 179.98 2ka5 h SER 79 N 0.25 0.39 -0.13 0.86 0.02 -1.04 -0.71 113.55 113.20 2ka5 h SER 79 Ca 0.20 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2ka5 h SER 79 Cb 0.23 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2ka5 h SER 79 CO -0.25 0.38 0.01 0.40 -1.14 0.00 0.00 176.83 176.23 2ka5 h ILE 80 N 0.37 1.24 -0.97 3.27 2.04 -0.74 -1.43 117.51 121.29 2ka5 h ILE 80 Ca 0.11 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.25 2ka5 h ILE 80 Cb 0.08 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 2ka5 h ILE 80 CO -0.02 0.22 0.63 -1.28 0.00 0.00 0.00 178.15 177.71 2ka5 h SER 81 N -0.03 1.05 -0.72 1.72 0.87 -0.85 0.60 113.55 116.18 2ka5 h SER 81 Ca 0.04 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2ka5 h SER 81 Cb 0.33 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 2ka5 h SER 81 CO 0.00 0.71 0.33 0.28 -0.53 0.00 0.00 176.83 177.63 2ka5 h SER 82 N 1.21 0.95 0.12 6.23 0.02 -0.85 -2.87 113.55 118.35 2ka5 h SER 82 Ca 0.39 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2ka5 h SER 82 Cb 0.03 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.33 2ka5 h SER 82 CO -0.13 0.83 -0.06 0.28 -1.14 0.00 0.00 176.83 176.62 2ka5 h SER 83 N 1.01 -0.13 0.00 3.07 0.02 -0.45 -3.47 113.55 113.59 2ka5 h SER 83 Ca 0.24 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2ka5 h SER 83 Cb 0.14 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2ka5 h SER 83 CO -0.03 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 2ka5 n GLY 84 N -0.96 0.53 1.18 -3.77 0.00 -0.24 -5.11 105.19 96.81 2ka5 n GLY 84 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 3.96 3.20 -0.02 0.00 0.04 -4.99 105.19 107.38 2ka5 n GLY 85 Ca 0.00 -2.26 -0.16 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.57 1.20 -0.15 1.61 0.40 -0.01 -3.72 117.98 115.73 2ka5 s PHE 86 Ca 0.00 -0.62 -0.11 0.00 -0.60 0.00 0.00 56.93 55.60 2ka5 s PHE 86 Cb -0.00 -0.64 0.05 0.00 0.51 0.00 0.00 43.02 42.94 2ka5 s PHE 86 CO 0.00 0.06 0.38 0.12 0.70 0.00 0.00 175.22 176.48 2ka5 s PHE 87 N -2.37 -0.48 0.08 0.36 5.36 -1.26 -2.89 117.98 116.79 2ka5 s PHE 87 Ca 0.07 1.10 -0.01 0.00 -0.96 0.00 0.00 56.93 57.13 2ka5 s PHE 87 Cb -0.03 0.18 -0.04 0.00 -0.34 0.00 0.00 43.02 42.79 2ka5 s PHE 87 CO 0.01 -0.26 0.01 0.00 -1.46 0.00 0.00 175.22 173.52 2ka5 s ALA 88 N 0.74 0.66 0.10 11.12 0.00 -1.17 -3.77 121.76 129.45 2ka5 s ALA 88 Ca -0.04 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.62 2ka5 s ALA 88 Cb -0.05 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2ka5 s ALA 88 CO -0.05 -0.42 0.16 -0.51 0.00 0.00 0.00 175.76 174.94 2ka5 s LEU 89 N -2.98 4.05 -0.03 0.00 1.02 -0.10 -1.25 118.68 119.40 2ka5 s LEU 89 Ca 0.14 0.07 -0.07 0.00 0.02 0.00 0.00 54.13 54.29 2ka5 s LEU 89 Cb 0.08 -2.68 0.01 0.00 0.02 0.00 0.00 46.19 43.62 2ka5 s LEU 89 CO -0.05 0.13 0.17 -0.69 0.02 0.00 0.00 176.35 175.92 2ka5 s VAL 90 N -1.56 0.04 -1.27 -1.59 1.01 -0.19 -1.01 120.40 115.83 2ka5 s VAL 90 Ca 0.32 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.68 2ka5 s VAL 90 Cb -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.93 2ka5 s VAL 90 CO 0.25 -0.20 0.57 -0.24 0.00 0.00 0.00 175.10 175.48 2ka5 n SER 91 N 2.14 -3.22 0.00 3.32 2.88 -0.98 -1.54 113.62 116.21 2ka5 n SER 91 Ca -0.18 -1.24 0.00 0.00 -1.33 0.00 0.00 58.87 56.12 2ka5 n SER 91 Cb 0.57 -2.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 2ka5 n SER 91 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ka5 n PRO 92 N -4.81 0.00 -0.49 -1.46 -0.04 -1.26 -1.96 135.00 124.98 2ka5 n PRO 92 Ca -0.16 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2ka5 n PRO 92 Cb 0.60 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 2ka5 n PRO 92 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2ka5 n ASN 93 N -0.89 0.00 0.08 3.54 0.23 -1.26 -4.19 115.26 112.77 2ka5 n ASN 93 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.95 2ka5 n ASN 93 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2ka5 n ASN 93 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2ka5 h GLU 94 N 6.12 0.18 0.05 -3.83 4.81 -1.98 -3.14 114.58 116.79 2ka5 h GLU 94 Ca 0.00 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2ka5 h GLU 94 Cb 0.00 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2ka5 h GLU 94 CO 0.00 1.04 -0.02 -0.22 -0.73 0.00 0.00 179.01 179.07 2ka5 h LYS 95 N 0.08 -0.06 -0.14 1.92 3.11 -1.92 -0.38 116.57 119.18 2ka5 h LYS 95 Ca -0.06 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 2ka5 h LYS 95 Cb 1.68 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.92 2ka5 h LYS 95 CO 0.15 0.52 0.05 0.28 -2.81 0.00 0.00 179.45 177.64 2ka5 h VAL 96 N -0.70 1.18 0.00 2.00 2.07 -1.76 -3.17 116.25 115.88 2ka5 h VAL 96 Ca -0.01 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2ka5 h VAL 96 Cb 0.60 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2ka5 h VAL 96 CO 0.01 0.17 -0.05 -0.33 0.02 0.00 0.00 177.57 177.39 2ka5 h GLU 97 N 0.05 0.00 -0.26 1.57 4.39 -1.47 0.12 114.58 118.99 2ka5 h GLU 97 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2ka5 h GLU 97 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2ka5 h GLU 97 CO -0.00 0.05 0.12 0.07 -1.16 0.00 0.00 179.01 178.08 2ka5 h ARG 98 N 0.00 0.37 0.03 2.33 -0.00 -1.04 -2.50 114.38 113.58 2ka5 h ARG 98 Ca -0.00 -0.06 -0.23 0.00 -0.00 0.00 0.00 59.98 59.69 2ka5 h ARG 98 Cb 0.11 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 30.00 2ka5 h ARG 98 CO 0.01 0.38 -1.09 -0.24 -0.00 0.00 0.00 179.97 179.02 2ka5 h VAL 99 N 0.28 1.62 0.00 0.08 3.04 -0.99 -2.83 116.25 117.45 2ka5 h VAL 99 Ca 0.09 -3.30 0.00 0.00 -1.01 0.00 0.00 66.70 62.47 2ka5 h VAL 99 Cb 0.13 2.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2ka5 h VAL 99 CO -0.01 0.94 0.00 -0.07 -1.01 0.00 0.00 177.57 177.42 2ka5 h LEU 100 N 0.02 0.00 0.09 3.16 4.07 -0.78 0.34 115.31 122.21 2ka5 h LEU 100 Ca -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 2ka5 h LEU 100 Cb 1.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.57 2ka5 h LEU 100 CO 0.15 0.00 -0.04 0.28 -1.08 0.00 0.00 178.44 177.74 2ka5 h SER 101 N 0.00 -0.10 0.01 -0.43 0.02 -1.31 0.28 113.55 112.03 2ka5 h SER 101 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2ka5 h SER 101 Cb 0.26 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2ka5 h SER 101 CO 0.00 0.46 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.00 2ka5 h LEU 102 N -1.01 -0.23 -0.46 5.07 3.38 -0.94 -2.23 115.31 118.89 2ka5 h LEU 102 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ka5 h LEU 102 Cb 0.26 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ka5 h LEU 102 CO 0.02 -0.08 0.00 1.07 0.09 0.00 0.00 178.44 179.54 2ka5 n THR 103 N -2.89 0.00 -3.27 0.22 5.66 0.11 -4.90 114.28 109.21 2ka5 n THR 103 Ca -0.01 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.81 2ka5 n THR 103 Cb 0.06 -0.24 0.02 0.00 -1.55 0.00 0.00 70.33 68.62 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 -0.23 -6.29 0.00 1.09 6.94 -0.84 -5.00 115.26 110.93 2ka5 n ASN 104 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 2ka5 n ASN 104 Cb 0.10 -2.11 0.00 0.00 -2.36 0.00 0.00 39.78 35.41 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2ka5 n LEU 105 N 0.51 1.79 0.28 -4.53 0.00 0.77 -4.68 117.00 111.13 2ka5 n LEU 105 Ca -0.03 0.00 0.17 0.00 0.00 0.00 0.00 56.01 56.15 2ka5 n LEU 105 Cb 0.54 0.00 0.76 0.00 0.00 0.00 0.00 43.42 44.73 2ka5 n LEU 105 CO 0.30 0.28 1.00 -2.24 0.00 0.00 0.00 177.39 176.73 2ka5 h ASP 106 N 0.00 0.00 0.19 1.96 3.04 -1.17 -1.98 116.42 118.46 2ka5 h ASP 106 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2ka5 h ASP 106 Cb 0.70 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.99 2ka5 h ASP 106 CO 0.00 0.05 0.00 0.54 -2.04 0.00 0.00 179.24 177.79 2ka5 n ARG 107 N -3.20 0.79 0.00 4.15 1.74 -1.26 -4.14 116.66 114.73 2ka5 n ARG 107 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2ka5 n ARG 107 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.10 0.00 -4.20 0.55 2.08 -0.95 -5.06 119.36 110.68 2ka5 n ILE 108 Ca 0.20 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.21 2ka5 n ILE 108 Cb 0.15 -0.81 -0.09 0.00 -0.75 0.00 0.00 39.64 38.15 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 -1.85 3.75 0.77 1.39 1.01 -0.79 -5.05 120.40 119.63 2ka5 s VAL 109 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 2ka5 s VAL 109 Cb 0.00 -2.76 0.05 0.00 0.00 0.00 0.00 36.38 33.68 2ka5 s VAL 109 CO 0.00 0.15 1.08 -0.54 0.00 0.00 0.00 175.10 175.79 2ka5 s LYS 110 N -2.16 2.31 -0.05 2.72 -0.14 -1.25 -4.61 119.74 116.57 2ka5 s LYS 110 Ca 0.23 1.04 -0.07 0.00 -1.36 0.00 0.00 55.97 55.81 2ka5 s LYS 110 Cb -0.11 -1.91 0.01 0.00 -1.68 0.00 0.00 37.83 34.14 2ka5 s LYS 110 CO 0.15 -1.56 0.18 -1.50 -0.76 0.00 0.00 175.35 171.86 2ka5 s ILE 111 N -2.96 0.03 0.24 2.17 2.07 -1.26 -0.92 121.20 120.57 2ka5 s ILE 111 Ca 0.61 -0.22 -0.06 0.00 -1.41 0.00 0.00 60.65 59.56 2ka5 s ILE 111 Cb -0.16 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.08 2ka5 s ILE 111 CO 0.56 -0.12 0.34 -0.31 -1.91 0.00 0.00 174.94 173.50 2ka5 s TYR 112 N -0.39 0.79 -0.19 3.50 2.02 -0.18 -4.91 117.35 117.99 2ka5 s TYR 112 Ca -0.05 -1.07 -0.24 0.00 -0.37 0.00 0.00 57.07 55.34 2ka5 s TYR 112 Cb -0.03 -0.15 -0.21 0.00 -0.40 0.00 0.00 41.96 41.16 2ka5 s TYR 112 CO 0.01 -0.88 0.36 -0.44 -1.57 0.00 0.00 175.55 173.03 2ka5 h ASP 113 N 2.37 0.00 -2.70 2.29 3.32 -1.90 -2.61 116.42 117.19 2ka5 h ASP 113 Ca -0.30 -0.64 -0.53 0.00 0.02 0.00 0.00 57.03 55.59 2ka5 h ASP 113 Cb 1.25 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.66 2ka5 h ASP 113 CO 0.42 1.36 -0.60 0.42 -1.72 0.00 0.00 179.24 179.12 2ka5 s THR 114 N -2.32 1.41 0.29 0.35 -4.23 -1.26 -2.66 115.64 107.21 2ka5 s THR 114 Ca -0.26 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.24 2ka5 s THR 114 Cb 0.04 -2.82 0.17 0.00 1.34 0.00 0.00 72.50 71.23 2ka5 s THR 114 CO 0.62 0.00 1.86 0.40 -0.54 0.00 0.00 174.62 176.96 2ka5 h ILE 115 N 1.98 1.21 -0.45 2.99 1.08 -1.97 -2.98 117.51 119.37 2ka5 h ILE 115 Ca -0.42 -0.73 -0.06 0.00 -0.39 0.00 0.00 64.86 63.26 2ka5 h ILE 115 Cb 1.25 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 2ka5 h ILE 115 CO 0.73 0.28 0.03 -1.28 -0.69 0.00 0.00 178.15 177.22 2ka5 h SER 116 N 0.80 0.75 0.00 1.72 0.87 -1.99 0.20 113.55 115.89 2ka5 h SER 116 Ca 0.18 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2ka5 h SER 116 Cb 0.23 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 2ka5 h SER 116 CO -0.01 0.85 0.00 -0.62 -0.53 0.00 0.00 176.83 176.52 2ka5 n GLU 117 N -4.42 0.57 -0.03 2.24 1.02 -1.15 -2.14 120.64 116.73 2ka5 n GLU 117 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2ka5 n GLU 117 Cb 0.28 -1.31 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 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 -0.81 1.85 0.12 0.62 0.00 -0.68 -4.46 120.51 117.16 2ka5 n ALA 118 Ca 0.08 -0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.04 2ka5 n ALA 118 Cb 0.04 0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 -0.26 0.00 0.00 4.05 -0.12 0.24 114.93 118.85 2ka5 h MET 119 Ca -0.16 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2ka5 h MET 119 Cb 1.31 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.17 2ka5 h MET 119 CO -0.00 -0.05 -0.68 -0.85 0.23 0.00 0.00 176.91 175.56 2ka5 n GLU 120 N -5.14 0.23 -0.08 0.39 0.28 -1.25 -4.32 120.64 110.75 2ka5 n GLU 120 Ca -0.09 0.05 -0.14 0.00 -0.16 0.00 0.00 57.16 56.82 2ka5 n GLU 120 Cb 0.18 -1.63 -0.10 0.00 1.43 0.00 0.00 31.44 31.33 2ka5 n GLU 120 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2ka5 h GLU 121 N 0.00 0.00 -0.75 3.44 4.57 -1.56 -3.27 114.58 117.00 2ka5 h GLU 121 Ca 0.00 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.36 2ka5 h GLU 121 Cb 0.69 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 2ka5 h GLU 121 CO 0.00 0.76 0.52 -0.24 -1.18 0.00 0.00 179.01 178.87 2ka5 h VAL 122 N -1.00 0.71 0.00 0.32 3.04 -0.79 0.24 116.25 118.78 2ka5 h VAL 122 Ca -0.13 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 2ka5 h VAL 122 Cb 0.93 0.47 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2ka5 h VAL 122 CO -0.08 0.04 -0.05 0.03 -1.01 0.00 0.00 177.57 176.50 2ka5 h ARG 123 N 0.22 0.00 -0.88 4.17 3.08 -1.74 -3.18 114.38 116.05 2ka5 h ARG 123 Ca 0.37 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.08 2ka5 h ARG 123 Cb 1.12 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 30.89 2ka5 h ARG 123 CO -0.08 0.05 -0.83 2.89 -1.07 0.00 0.00 179.97 180.93 2ka5 n ARG 124 N -3.75 1.06 0.00 0.04 0.00 0.06 -5.12 116.66 108.94 2ka5 n ARG 124 Ca -0.02 -2.67 0.03 0.00 -0.00 0.00 0.00 57.85 55.18 2ka5 n ARG 124 Cb 0.15 -1.14 0.15 0.00 -0.00 0.00 0.00 32.46 31.62 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99