#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 -1.02 3.55 3.03 0.00 -1.26 -4.78 105.19 104.71 2ka5 n GLY 2 Ca 0.00 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.43 1.84 -0.23 1.61 7.64 -1.26 -4.85 113.62 116.94 2ka5 n SER 3 Ca 0.00 -0.89 -0.02 0.00 1.01 0.00 0.00 58.87 58.97 2ka5 n SER 3 Cb 0.00 -1.54 0.09 0.00 -1.01 0.00 0.00 64.21 61.74 2ka5 n SER 3 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2ka5 h ASP 4 N 16.05 0.59 -0.67 6.43 5.19 -2.06 -3.49 116.42 138.46 2ka5 h ASP 4 Ca -0.12 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.33 2ka5 h ASP 4 Cb 1.16 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.56 2ka5 h ASP 4 CO 1.13 0.39 -0.02 0.29 -3.12 0.00 0.00 179.24 177.91 2ka5 n LYS 5 N -4.76 -0.11 -0.67 3.56 4.76 -1.26 -4.74 118.16 114.94 2ka5 n LYS 5 Ca 0.08 0.07 0.01 0.00 -2.87 0.00 0.00 58.31 55.60 2ka5 n LYS 5 Cb 0.14 -0.14 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 2ka5 n LYS 5 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2ka5 n ILE 6 N -1.26 0.11 -2.50 -0.18 -5.35 -1.26 -5.04 119.36 103.88 2ka5 n ILE 6 Ca 0.00 -0.33 -0.40 0.00 -0.27 0.00 0.00 62.75 61.75 2ka5 n ILE 6 Cb 0.03 0.55 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 2ka5 n ILE 6 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2ka5 s HIS 7 N -0.17 2.28 -0.22 4.28 3.76 -1.26 -4.95 115.29 119.01 2ka5 s HIS 7 Ca 0.08 -0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 2ka5 s HIS 7 Cb 0.09 -4.59 -0.07 0.00 1.11 0.00 0.00 32.58 29.12 2ka5 s HIS 7 CO -0.03 -2.05 2.18 1.58 -0.85 0.00 0.00 174.74 175.56 2ka5 n HIS 8 N 9.63 1.94 -3.82 1.40 -0.00 -1.26 -4.95 115.22 118.17 2ka5 n HIS 8 Ca 0.12 -0.05 -0.12 0.00 0.46 0.00 0.00 57.72 58.13 2ka5 n HIS 8 Cb 0.50 -2.69 -0.10 0.00 -0.12 0.00 0.00 29.99 27.58 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 7.59 -0.13 0.25 1.57 5.04 -1.26 -5.18 115.29 123.17 2ka5 s HIS 9 Ca 1.02 0.28 -0.08 0.00 -1.54 0.00 0.00 55.06 54.73 2ka5 s HIS 9 Cb -0.48 0.04 -0.01 0.00 0.04 0.00 0.00 32.58 32.17 2ka5 s HIS 9 CO 0.40 -0.23 0.39 -3.38 -2.34 0.00 0.00 174.74 169.58 2ka5 s HIS 10 N -0.70 0.66 0.41 3.88 -3.43 -1.26 -5.13 115.29 109.72 2ka5 s HIS 10 Ca -0.08 -0.97 0.07 0.00 -0.80 0.00 0.00 55.06 53.28 2ka5 s HIS 10 Cb -0.04 -0.03 0.01 0.00 -1.43 0.00 0.00 32.58 31.08 2ka5 s HIS 10 CO 0.02 -0.93 0.56 -1.01 -2.00 0.00 0.00 174.74 171.38 2ka5 s HIS 11 N -3.90 2.87 -0.37 0.38 3.76 -1.26 -5.11 115.29 111.66 2ka5 s HIS 11 Ca 0.28 -0.34 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 2ka5 s HIS 11 Cb 0.01 -2.33 0.15 0.00 1.11 0.00 0.00 32.58 31.52 2ka5 s HIS 11 CO 0.11 -0.37 0.35 -1.58 -0.85 0.00 0.00 174.74 172.40 2ka5 s HIS 12 N -2.34 -0.06 0.00 1.40 2.46 -1.26 -5.10 115.29 110.38 2ka5 s HIS 12 Ca 0.53 -1.04 0.00 0.00 0.47 0.00 0.00 55.06 55.02 2ka5 s HIS 12 Cb -0.10 -0.51 0.00 0.00 -0.13 0.00 0.00 32.58 31.84 2ka5 s HIS 12 CO 0.33 -0.94 0.00 -1.33 -2.47 0.00 0.00 174.74 170.33 2ka5 n MET 13 N 4.12 2.87 -1.49 2.88 2.81 -1.26 -5.06 117.12 121.99 2ka5 n MET 13 Ca 0.12 0.00 -0.47 0.00 -1.81 0.00 0.00 57.70 55.55 2ka5 n MET 13 Cb 0.44 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.88 2ka5 n MET 13 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2ka5 n PHE 14 N 0.00 1.59 -1.30 2.03 3.72 -1.26 -4.96 117.46 117.28 2ka5 n PHE 14 Ca 0.00 0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2ka5 n PHE 14 Cb 0.00 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 35.96 2ka5 n PHE 14 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ka5 n PRO 15 N 8.44 0.63 -1.07 -1.08 -0.04 -1.26 -4.59 135.00 136.03 2ka5 n PRO 15 Ca 0.40 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.51 2ka5 n PRO 15 Cb 0.30 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.84 2ka5 n PRO 15 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2ka5 n TYR 16 N -1.26 -1.89 -4.58 0.54 0.18 -1.25 -4.35 117.16 104.55 2ka5 n TYR 16 Ca 0.00 0.26 -0.27 0.00 1.88 0.00 0.00 57.90 59.77 2ka5 n TYR 16 Cb 0.00 -1.78 -0.11 0.00 -0.38 0.00 0.00 39.34 37.08 2ka5 n TYR 16 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2ka5 s LYS 17 N -2.79 1.89 -0.06 -3.48 2.20 0.47 -4.88 119.74 113.09 2ka5 s LYS 17 Ca 0.58 -2.08 0.02 0.00 -0.36 0.00 0.00 55.97 54.13 2ka5 s LYS 17 Cb -0.29 -1.40 0.01 0.00 -1.51 0.00 0.00 37.83 34.65 2ka5 s LYS 17 CO 0.66 -0.12 -0.12 0.42 -0.36 0.00 0.00 175.35 175.83 2ka5 s ILE 18 N -2.89 1.10 0.00 5.43 1.01 -1.26 -0.16 121.20 124.42 2ka5 s ILE 18 Ca 0.33 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.52 2ka5 s ILE 18 Cb 0.09 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.56 2ka5 s ILE 18 CO 0.16 0.34 0.00 1.33 0.00 0.00 0.00 174.94 176.78 2ka5 n VAL 19 N 3.77 0.00 0.00 2.92 0.24 -0.04 -4.99 118.33 120.23 2ka5 n VAL 19 Ca -0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2ka5 n VAL 19 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.00 -1.34 2.03 -1.26 -4.53 116.55 111.46 2ka5 n ASP 20 Ca 0.00 0.58 0.00 0.00 0.52 0.00 0.00 54.79 55.89 2ka5 n ASP 20 Cb 0.00 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 2ka5 n ASP 20 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2ka5 n ASP 21 N -1.31 0.40 -4.64 1.67 5.75 -1.26 -5.06 116.55 112.11 2ka5 n ASP 21 Ca 0.00 -1.19 -0.35 0.00 -0.01 0.00 0.00 54.79 53.24 2ka5 n ASP 21 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 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 -0.19 4.40 0.29 2.12 1.01 -1.26 -4.45 120.40 122.31 2ka5 s VAL 22 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 2ka5 s VAL 22 Cb 0.00 -2.90 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 2ka5 s VAL 22 CO 0.00 0.54 0.76 -0.69 0.00 0.00 0.00 175.10 175.71 2ka5 s VAL 23 N -0.29 4.59 -0.41 2.92 1.01 -0.21 -0.86 120.40 127.15 2ka5 s VAL 23 Ca 0.07 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.23 2ka5 s VAL 23 Cb -0.12 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.66 2ka5 s VAL 23 CO 0.02 -0.02 0.21 -0.63 0.00 0.00 0.00 175.10 174.67 2ka5 s ILE 24 N -1.80 1.26 -0.32 2.22 1.09 0.77 -0.17 121.20 124.26 2ka5 s ILE 24 Ca 0.50 -2.31 -0.29 0.00 -1.10 0.00 0.00 60.65 57.46 2ka5 s ILE 24 Cb -0.13 -1.90 -0.01 0.00 -1.06 0.00 0.00 42.46 39.36 2ka5 s ILE 24 CO 0.19 -0.86 1.58 -0.76 -0.10 0.00 0.00 174.94 175.00 2ka5 s LEU 25 N 0.62 3.68 -0.70 2.97 2.01 -0.39 -0.40 118.68 126.48 2ka5 s LEU 25 Ca 0.16 1.25 -0.09 0.00 0.01 0.00 0.00 54.13 55.47 2ka5 s LEU 25 Cb -0.23 -3.53 0.18 0.00 0.01 0.00 0.00 46.19 42.62 2ka5 s LEU 25 CO -0.04 -1.43 0.58 -0.04 1.01 0.00 0.00 176.35 176.43 2ka5 s MET 26 N 5.01 3.03 -0.16 1.70 -1.94 -1.26 -0.56 119.30 125.11 2ka5 s MET 26 Ca 0.70 -2.41 -0.29 0.00 -1.71 0.00 0.00 55.69 51.97 2ka5 s MET 26 Cb -0.20 -4.07 -0.00 0.00 2.01 0.00 0.00 34.83 32.56 2ka5 s MET 26 CO 0.31 -1.23 1.01 -1.25 -0.01 0.00 0.00 175.02 173.85 2ka5 s PRO 27 N 0.20 4.34 -1.23 2.03 0.04 -1.26 -3.94 135.00 135.19 2ka5 s PRO 27 Ca 0.16 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2ka5 s PRO 27 Cb -0.17 -3.59 0.18 0.00 0.04 0.00 0.00 34.50 30.97 2ka5 s PRO 27 CO -0.05 -0.45 1.63 0.27 0.04 0.00 0.00 177.00 178.43 2ka5 n ASN 28 N 5.59 5.25 -1.02 6.66 2.04 -1.26 -2.57 115.26 129.94 2ka5 n ASN 28 Ca 0.10 -3.07 -0.11 0.00 -0.44 0.00 0.00 54.58 51.06 2ka5 n ASN 28 Cb 0.48 -1.50 -0.05 0.00 -2.53 0.00 0.00 39.78 36.17 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 4.43 -1.56 -0.54 -3.83 4.01 -1.25 -4.85 118.16 114.58 2ka5 n LYS 29 Ca 0.37 0.79 0.10 0.00 -0.51 0.00 0.00 58.31 59.06 2ka5 n LYS 29 Cb 0.39 -5.03 0.34 0.00 -0.51 0.00 0.00 35.03 30.22 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 -1.20 3.38 -1.92 1.97 0.28 -1.26 -4.59 120.64 117.29 2ka5 n GLU 30 Ca -0.11 -2.73 -0.42 0.00 -0.16 0.00 0.00 57.16 53.74 2ka5 n GLU 30 Cb 0.50 -1.79 -0.00 0.00 1.43 0.00 0.00 31.44 31.58 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 1.25 6.42 -4.87 -1.84 4.32 -1.26 -4.82 117.00 116.20 2ka5 n LEU 31 Ca 0.25 -4.08 -0.33 0.00 -0.02 0.00 0.00 56.01 51.83 2ka5 n LEU 31 Cb 0.79 -1.68 -0.05 0.00 -1.62 0.00 0.00 43.42 40.86 2ka5 n LEU 31 CO 0.21 0.89 0.15 0.54 -1.22 0.00 0.00 177.39 177.96 2ka5 s ASN 32 N 3.44 6.63 0.40 -1.43 2.20 -1.26 -4.68 114.94 120.24 2ka5 s ASN 32 Ca 0.49 0.85 0.08 0.00 -0.94 0.00 0.00 52.86 53.34 2ka5 s ASN 32 Cb 0.12 -2.20 0.87 0.00 -2.00 0.00 0.00 41.25 38.04 2ka5 s ASN 32 CO -0.05 0.02 2.02 -0.29 -2.94 0.00 0.00 177.10 175.86 2ka5 h ILE 33 N 2.26 1.04 0.00 0.54 6.09 -1.97 0.30 117.51 125.78 2ka5 h ILE 33 Ca -0.47 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 2ka5 h ILE 33 Cb 1.18 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.89 2ka5 h ILE 33 CO 0.69 0.10 0.00 -0.62 -3.07 0.00 0.00 178.15 175.25 2ka5 n GLU 34 N -4.47 0.07 -0.03 2.19 1.02 -1.26 -0.65 120.64 117.51 2ka5 n GLU 34 Ca 0.06 0.46 -0.01 0.00 -0.02 0.00 0.00 57.16 57.65 2ka5 n GLU 34 Cb 0.17 -1.69 -0.08 0.00 -0.02 0.00 0.00 31.44 29.82 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 -1.84 2.59 -0.07 1.62 5.15 -0.06 -4.50 115.26 118.14 2ka5 n ASN 35 Ca 0.01 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.90 2ka5 n ASN 35 Cb 0.10 0.98 0.07 0.00 -0.53 0.00 0.00 39.78 40.40 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ka5 h ALA 36 N 0.64 0.82 -0.41 5.20 0.00 0.95 0.21 119.26 126.67 2ka5 h ALA 36 Ca -0.18 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.39 2ka5 h ALA 36 Cb 1.23 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2ka5 h ALA 36 CO 0.01 0.64 0.11 1.25 0.00 0.00 0.00 179.25 181.26 2ka5 h HIS 37 N 0.64 0.18 0.00 0.00 -0.00 -1.14 -2.37 115.15 112.47 2ka5 h HIS 37 Ca 0.08 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 2ka5 h HIS 37 Cb 0.82 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.20 2ka5 h HIS 37 CO 0.04 0.05 -0.20 -0.07 -0.00 0.00 0.00 177.93 177.75 2ka5 h LEU 38 N 0.25 0.00 -1.18 0.26 3.38 -1.63 -3.37 115.31 113.02 2ka5 h LEU 38 Ca 0.20 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.27 2ka5 h LEU 38 Cb 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2ka5 h LEU 38 CO -0.23 0.20 0.59 0.15 0.09 0.00 0.00 178.44 179.23 2ka5 h PHE 39 N 0.00 0.97 0.33 1.13 3.57 -0.05 0.36 116.94 123.25 2ka5 h PHE 39 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2ka5 h PHE 39 Cb 0.66 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2ka5 h PHE 39 CO 0.00 0.42 -0.24 -0.22 -2.23 0.00 0.00 178.31 176.04 2ka5 h LYS 40 N 0.87 -0.52 -0.62 1.11 3.64 -1.74 0.21 116.57 119.53 2ka5 h LYS 40 Ca 0.43 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.97 2ka5 h LYS 40 Cb 0.48 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.32 2ka5 h LYS 40 CO -0.20 -0.35 0.09 -0.22 -2.27 0.00 0.00 179.45 176.50 2ka5 h LYS 41 N -0.54 0.20 0.23 1.90 3.11 -0.69 0.12 116.57 120.90 2ka5 h LYS 41 Ca -0.04 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 2ka5 h LYS 41 Cb 0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 2ka5 h LYS 41 CO 0.02 0.13 -0.11 2.35 -2.81 0.00 0.00 179.45 179.03 2ka5 h TRP 42 N 0.21 -0.29 -0.75 1.91 7.01 -0.66 0.51 115.95 123.90 2ka5 h TRP 42 Ca 0.33 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.49 2ka5 h TRP 42 Cb 0.51 0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.62 2ka5 h TRP 42 CO -0.29 -0.18 0.51 0.28 -2.79 0.00 0.00 178.44 175.97 2ka5 h VAL 43 N -0.34 0.75 0.00 2.65 2.07 -0.61 0.30 116.25 121.07 2ka5 h VAL 43 Ca -0.03 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2ka5 h VAL 43 Cb 0.24 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2ka5 h VAL 43 CO 0.05 0.06 0.00 0.49 0.02 0.00 0.00 177.57 178.19 2ka5 n PHE 44 N -4.45 0.00 0.43 1.57 3.01 0.39 -1.50 117.46 116.92 2ka5 n PHE 44 Ca 0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.72 2ka5 n PHE 44 Cb 0.60 -0.24 0.47 0.00 -0.01 0.00 0.00 39.48 40.30 2ka5 n PHE 44 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2ka5 n ASP 45 N -1.22 0.61 -0.01 4.37 8.00 0.17 -0.20 116.55 128.26 2ka5 n ASP 45 Ca 0.00 0.64 -0.13 0.00 0.71 0.00 0.00 54.79 56.01 2ka5 n ASP 45 Cb 0.00 -0.77 -0.14 0.00 -0.02 0.00 0.00 41.12 40.19 2ka5 n ASP 45 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ka5 h GLU 46 N 0.00 0.10 0.00 -1.24 4.57 -0.57 -3.43 114.58 114.01 2ka5 h GLU 46 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2ka5 h GLU 46 Cb 0.38 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2ka5 h GLU 46 CO 0.00 0.75 0.00 1.19 -1.18 0.00 0.00 179.01 179.77 2ka5 n PHE 47 N -3.20 -2.07 0.33 0.92 3.72 -0.92 -4.70 117.46 111.55 2ka5 n PHE 47 Ca -0.21 0.36 -0.17 0.00 -0.05 0.00 0.00 57.45 57.38 2ka5 n PHE 47 Cb 1.05 0.49 -0.09 0.00 -0.94 0.00 0.00 39.48 40.00 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 -0.68 0.00 4.37 3.38 0.19 -0.23 115.31 122.33 2ka5 h LEU 48 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ka5 h LEU 48 Cb 0.00 0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2ka5 h LEU 48 CO 0.00 -0.48 0.00 0.59 0.09 0.00 0.00 178.44 178.64 2ka5 n ASN 49 N -5.43 0.00 -0.32 -0.43 3.02 0.73 -0.90 115.26 111.92 2ka5 n ASN 49 Ca -0.13 0.47 0.14 0.00 -0.03 0.00 0.00 54.58 55.03 2ka5 n ASN 49 Cb 0.33 -0.48 0.48 0.00 -0.61 0.00 0.00 39.78 39.50 2ka5 n ASN 49 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2ka5 n LYS 50 N -1.48 1.16 -0.21 3.52 4.81 -0.27 -4.96 118.16 120.73 2ka5 n LYS 50 Ca 0.02 -0.64 0.00 0.00 -0.87 0.00 0.00 58.31 56.83 2ka5 n LYS 50 Cb 0.11 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.67 2ka5 n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ka5 n GLY 51 N 1.25 0.76 3.79 3.14 0.00 -0.08 -4.98 105.19 109.07 2ka5 n GLY 51 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.19 3.37 -0.00 1.61 1.51 -0.26 -4.96 117.35 116.42 2ka5 s TYR 52 Ca 0.00 1.67 0.01 0.00 -1.01 0.00 0.00 57.07 57.74 2ka5 s TYR 52 Cb 0.00 -3.01 0.01 0.00 -0.11 0.00 0.00 41.96 38.85 2ka5 s TYR 52 CO 0.00 -0.31 0.75 0.09 -1.11 0.00 0.00 175.55 174.97 2ka5 n ASN 53 N -0.09 0.17 -3.57 2.29 4.13 -1.26 -4.31 115.26 112.61 2ka5 n ASN 53 Ca 0.05 -1.53 -0.11 0.00 1.68 0.00 0.00 54.58 54.67 2ka5 n ASN 53 Cb 0.51 -0.10 -0.11 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 -0.14 0.26 0.16 3.52 1.02 -1.26 -1.29 119.74 122.02 2ka5 s LYS 54 Ca 0.01 0.76 0.11 0.00 0.02 0.00 0.00 55.97 56.86 2ka5 s LYS 54 Cb 0.01 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 2ka5 s LYS 54 CO 0.00 -0.39 -0.24 0.42 -0.92 0.00 0.00 175.35 174.22 2ka5 s ILE 55 N 2.51 2.23 0.21 2.17 1.09 -1.16 -1.04 121.20 127.21 2ka5 s ILE 55 Ca 0.03 -1.90 0.09 0.00 -1.10 0.00 0.00 60.65 57.77 2ka5 s ILE 55 Cb -0.13 -2.02 -0.05 0.00 -1.06 0.00 0.00 42.46 39.20 2ka5 s ILE 55 CO -0.12 -0.07 -0.18 -0.36 -0.10 0.00 0.00 174.94 174.12 2ka5 s PHE 56 N -1.48 1.91 -0.17 3.97 0.08 0.76 -2.95 117.98 120.11 2ka5 s PHE 56 Ca 0.17 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.76 2ka5 s PHE 56 Cb -0.09 -0.90 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 2ka5 s PHE 56 CO 0.08 0.44 -0.18 -1.17 -0.10 0.00 0.00 175.22 174.29 2ka5 s LEU 57 N -3.11 2.30 0.29 -0.37 2.96 -0.57 -1.26 118.68 118.93 2ka5 s LEU 57 Ca 0.22 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2ka5 s LEU 57 Cb -0.04 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 2ka5 s LEU 57 CO 0.09 0.04 0.49 0.68 -1.32 0.00 0.00 176.35 176.33 2ka5 s VAL 58 N 1.04 5.13 -0.02 1.68 -7.23 0.27 0.06 120.40 121.34 2ka5 s VAL 58 Ca -0.01 -0.38 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 2ka5 s VAL 58 Cb -0.14 -3.80 0.04 0.00 0.56 0.00 0.00 36.38 33.03 2ka5 s VAL 58 CO -0.05 -0.39 0.83 0.18 -0.31 0.00 0.00 175.10 175.36 2ka5 n LEU 59 N -1.29 0.83 -0.00 1.32 4.77 -0.34 -4.20 117.00 118.09 2ka5 n LEU 59 Ca -0.05 -1.16 -0.18 0.00 -0.03 0.00 0.00 56.01 54.59 2ka5 n LEU 59 Cb 0.55 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 2ka5 n LEU 59 CO 0.48 0.28 0.05 0.28 -1.33 0.00 0.00 177.39 177.15 2ka5 h SER 60 N 0.00 0.28 1.00 -1.43 0.02 -1.79 -3.38 113.55 108.24 2ka5 h SER 60 Ca 0.00 -0.92 -0.09 0.00 -0.84 0.00 0.00 61.79 59.94 2ka5 h SER 60 Cb 0.97 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2ka5 h SER 60 CO 0.00 1.31 -1.05 0.44 -1.14 0.00 0.00 176.83 176.39 2ka5 h ASP 61 N -0.60 0.00 -4.40 3.07 5.19 -1.90 -3.46 116.42 114.32 2ka5 h ASP 61 Ca -0.14 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.78 2ka5 h ASP 61 Cb 1.44 0.00 0.08 0.00 0.18 0.00 0.00 39.33 41.03 2ka5 h ASP 61 CO 0.07 0.31 0.40 0.54 -3.12 0.00 0.00 179.24 177.44 2ka5 s VAL 62 N -3.11 3.86 -0.04 -1.35 0.11 -1.06 -3.81 120.40 115.01 2ka5 s VAL 62 Ca -0.01 0.61 0.01 0.00 -2.93 0.00 0.00 61.98 59.66 2ka5 s VAL 62 Cb 0.09 -3.54 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 2ka5 s VAL 62 CO 0.79 -0.79 -0.02 1.21 -3.33 0.00 0.00 175.10 172.95 2ka5 n GLU 63 N -3.00 0.94 -3.87 1.54 2.13 -1.26 -4.91 120.64 112.21 2ka5 n GLU 63 Ca 0.07 0.02 -0.09 0.00 0.66 0.00 0.00 57.16 57.81 2ka5 n GLU 63 Cb 0.56 -1.08 -0.00 0.00 0.27 0.00 0.00 31.44 31.19 2ka5 n GLU 63 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2ka5 s SER 64 N -4.13 0.05 0.14 4.31 0.15 -1.26 -4.48 113.70 108.48 2ka5 s SER 64 Ca -0.04 -1.05 0.04 0.00 0.70 0.00 0.00 55.95 55.60 2ka5 s SER 64 Cb 0.01 0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 65.06 2ka5 s SER 64 CO 0.10 -1.52 -0.09 -0.51 1.20 0.00 0.00 173.24 172.41 2ka5 s ILE 65 N -2.90 1.06 0.47 6.45 2.07 -1.26 -4.91 121.20 122.17 2ka5 s ILE 65 Ca 0.17 -2.03 0.04 0.00 -1.41 0.00 0.00 60.65 57.42 2ka5 s ILE 65 Cb -0.04 -1.81 0.02 0.00 0.13 0.00 0.00 42.46 40.75 2ka5 s ILE 65 CO 0.11 -0.78 0.66 -0.62 -1.91 0.00 0.00 174.94 172.41 2ka5 s ASP 66 N -3.14 5.55 0.00 4.50 -1.08 -1.26 -4.86 116.67 116.37 2ka5 s ASP 66 Ca 0.16 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.05 2ka5 s ASP 66 Cb 0.03 -0.92 0.00 0.00 -1.46 0.00 0.00 42.92 40.57 2ka5 s ASP 66 CO -0.01 -0.88 0.30 -1.20 0.52 0.00 0.00 175.17 173.89 2ka5 n SER 67 N -2.07 0.87 0.03 -0.34 7.64 -1.26 -2.30 113.62 116.18 2ka5 n SER 67 Ca 0.06 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.31 2ka5 n SER 67 Cb 0.59 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2ka5 n SER 67 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2ka5 n PHE 68 N 0.99 -0.37 0.20 1.43 -0.00 -1.26 -4.93 117.46 113.53 2ka5 n PHE 68 Ca 0.00 0.06 0.07 0.00 -0.00 0.00 0.00 57.45 57.59 2ka5 n PHE 68 Cb 0.13 0.32 0.38 0.00 -0.00 0.00 0.00 39.48 40.30 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 0.00 -0.64 -2.13 0.02 -1.91 -1.30 113.55 107.59 2ka5 h SER 69 Ca 0.00 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 2ka5 h SER 69 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2ka5 h SER 69 CO 0.00 0.31 0.43 0.25 -1.14 0.00 0.00 176.83 176.68 2ka5 h LEU 70 N 0.00 0.30 -1.60 5.07 5.85 -1.79 0.57 115.31 123.71 2ka5 h LEU 70 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2ka5 h LEU 70 Cb 0.85 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2ka5 h LEU 70 CO 0.04 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 2ka5 n GLY 71 N -1.55 0.76 0.10 3.75 0.00 -0.51 -3.88 105.19 103.87 2ka5 n GLY 71 Ca 0.11 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 2ka5 n GLY 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2ka5 n VAL 72 N 0.88 1.60 0.10 1.61 3.14 0.06 -3.86 118.33 121.85 2ka5 n VAL 72 Ca 0.17 -0.76 -0.12 0.00 -2.96 0.00 0.00 64.34 60.66 2ka5 n VAL 72 Cb 0.48 -1.11 -0.05 0.00 -1.06 0.00 0.00 33.84 32.10 2ka5 n VAL 72 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2ka5 h ILE 73 N 0.02 0.58 -1.01 1.55 5.03 -1.31 -1.70 117.51 120.67 2ka5 h ILE 73 Ca -0.38 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.38 2ka5 h ILE 73 Cb 2.05 0.58 -0.05 0.00 -3.03 0.00 0.00 36.82 36.37 2ka5 h ILE 73 CO 0.06 0.00 0.66 0.58 -0.68 0.00 0.00 178.15 178.77 2ka5 h VAL 74 N -0.34 1.22 -0.94 1.67 2.07 -1.78 -2.41 116.25 115.74 2ka5 h VAL 74 Ca 0.03 -0.45 0.12 0.00 0.82 0.00 0.00 66.70 67.21 2ka5 h VAL 74 Cb 0.37 -0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 29.85 2ka5 h VAL 74 CO -0.11 0.24 0.60 -1.13 0.02 0.00 0.00 177.57 177.19 2ka5 h ASN 75 N 1.32 0.82 0.11 0.57 -0.73 -1.45 0.96 115.58 117.19 2ka5 h ASN 75 Ca 0.38 0.04 -0.13 0.00 1.87 0.00 0.00 56.30 58.47 2ka5 h ASN 75 Cb -0.08 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.37 2ka5 h ASN 75 CO -0.10 0.45 -0.43 0.40 -0.37 0.00 0.00 177.43 177.37 2ka5 h ILE 76 N 0.89 1.31 0.03 2.57 2.04 -0.87 -2.19 117.51 121.29 2ka5 h ILE 76 Ca 0.46 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 2ka5 h ILE 76 Cb 0.52 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2ka5 h ILE 76 CO -0.22 0.49 -0.01 0.25 0.00 0.00 0.00 178.15 178.66 2ka5 h LEU 77 N 0.33 -0.03 -0.46 1.44 7.12 -0.63 0.75 115.31 123.83 2ka5 h LEU 77 Ca 0.03 -0.16 0.08 0.00 0.13 0.00 0.00 57.88 57.95 2ka5 h LEU 77 Cb 0.90 0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 40.97 2ka5 h LEU 77 CO 0.08 0.15 0.05 0.11 -0.13 0.00 0.00 178.44 178.69 2ka5 h LYS 78 N -0.21 0.17 0.71 1.25 1.57 -1.09 0.25 116.57 119.22 2ka5 h LYS 78 Ca -0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2ka5 h LYS 78 Cb 0.19 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2ka5 h LYS 78 CO 0.01 0.11 -0.43 1.03 -0.57 0.00 0.00 179.45 179.60 2ka5 h SER 79 N 0.17 -1.08 -0.57 0.86 0.87 -1.27 -1.59 113.55 110.94 2ka5 h SER 79 Ca 0.23 0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.93 2ka5 h SER 79 Cb 0.32 0.31 -0.06 0.00 -0.44 0.00 0.00 62.40 62.53 2ka5 h SER 79 CO -0.34 -0.67 0.23 0.40 -0.53 0.00 0.00 176.83 175.92 2ka5 h ILE 80 N -1.07 0.82 -0.80 2.23 2.04 -0.51 -0.02 117.51 120.20 2ka5 h ILE 80 Ca -0.10 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2ka5 h ILE 80 Cb 0.85 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2ka5 h ILE 80 CO 0.10 0.08 0.42 -1.28 0.00 0.00 0.00 178.15 177.47 2ka5 h SER 81 N 0.42 1.01 0.61 1.72 0.87 -0.96 0.53 113.55 117.75 2ka5 h SER 81 Ca 0.28 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2ka5 h SER 81 Cb 0.30 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2ka5 h SER 81 CO -0.26 0.84 -0.14 -1.28 -0.53 0.00 0.00 176.83 175.46 2ka5 h SER 82 N 1.11 0.00 1.39 6.23 0.87 -0.14 -2.04 113.55 120.97 2ka5 h SER 82 Ca 0.28 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.73 2ka5 h SER 82 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2ka5 h SER 82 CO -0.04 0.14 -0.51 0.28 -0.53 0.00 0.00 176.83 176.16 2ka5 h SER 83 N 0.00 0.00 0.00 6.23 0.02 0.02 -3.48 113.55 116.33 2ka5 h SER 83 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ka5 h SER 83 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2ka5 h SER 83 CO 0.02 0.51 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 2ka5 n GLY 84 N 1.11 1.14 0.00 -3.77 0.00 -0.41 -5.09 105.19 98.18 2ka5 n GLY 84 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.63 1.64 3.25 -0.02 0.00 0.04 -4.99 105.19 103.47 2ka5 n GLY 85 Ca 0.00 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 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 0.98 1.23 -0.04 1.61 0.40 -0.41 -4.32 117.98 117.44 2ka5 s PHE 86 Ca 0.00 -0.91 -0.12 0.00 -0.60 0.00 0.00 56.93 55.30 2ka5 s PHE 86 Cb 0.00 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.87 2ka5 s PHE 86 CO 0.00 -0.09 0.26 0.12 0.70 0.00 0.00 175.22 176.21 2ka5 s PHE 87 N -3.52 -0.16 0.28 0.36 5.36 -1.26 -2.98 117.98 116.05 2ka5 s PHE 87 Ca 0.21 0.31 -0.11 0.00 -0.96 0.00 0.00 56.93 56.37 2ka5 s PHE 87 Cb 0.05 0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 2ka5 s PHE 87 CO 0.02 -0.30 0.52 0.00 -1.46 0.00 0.00 175.22 174.01 2ka5 s ALA 88 N -0.92 -0.13 0.43 11.12 0.00 -1.15 -3.96 121.76 127.15 2ka5 s ALA 88 Ca -0.10 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 50.95 2ka5 s ALA 88 Cb -0.05 1.04 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 2ka5 s ALA 88 CO 0.02 -0.86 0.12 -0.51 0.00 0.00 0.00 175.76 174.54 2ka5 s LEU 89 N -3.06 2.93 -0.06 0.00 1.43 0.06 -1.51 118.68 118.47 2ka5 s LEU 89 Ca 0.23 -1.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.00 2ka5 s LEU 89 Cb -0.01 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 45.04 2ka5 s LEU 89 CO 0.11 -0.59 0.23 -0.69 0.23 0.00 0.00 176.35 175.65 2ka5 s VAL 90 N -2.67 0.03 -1.18 -1.59 1.01 0.11 -1.41 120.40 114.69 2ka5 s VAL 90 Ca 0.35 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2ka5 s VAL 90 Cb 0.05 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 36.05 2ka5 s VAL 90 CO 0.19 -0.14 0.73 -1.54 0.00 0.00 0.00 175.10 174.34 2ka5 n SER 91 N 2.31 -4.62 -4.51 3.32 3.41 -0.94 -1.20 113.62 111.39 2ka5 n SER 91 Ca -0.17 -1.19 -0.42 0.00 -0.26 0.00 0.00 58.87 56.83 2ka5 n SER 91 Cb 0.57 -2.33 -0.03 0.00 -0.26 0.00 0.00 64.21 62.17 2ka5 n SER 91 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2ka5 s PRO 92 N -6.87 3.48 0.89 4.33 0.04 -1.26 -3.90 135.00 131.71 2ka5 s PRO 92 Ca 0.49 -1.21 -0.10 0.00 0.04 0.00 0.00 61.00 60.22 2ka5 s PRO 92 Cb -0.23 -4.91 0.13 0.00 0.04 0.00 0.00 34.50 29.53 2ka5 s PRO 92 CO 0.93 -1.99 1.13 -0.80 0.04 0.00 0.00 177.00 176.31 2ka5 s ASN 93 N 4.18 3.22 0.33 6.66 0.01 -1.26 -4.57 114.94 123.50 2ka5 s ASN 93 Ca 0.37 2.08 0.03 0.00 -0.71 0.00 0.00 52.86 54.63 2ka5 s ASN 93 Cb -0.05 -2.55 0.58 0.00 0.41 0.00 0.00 41.25 39.64 2ka5 s ASN 93 CO -0.04 -2.90 1.87 -0.08 -1.51 0.00 0.00 177.10 174.44 2ka5 h GLU 94 N -1.73 0.58 -0.07 -0.60 4.81 -1.98 0.68 114.58 116.28 2ka5 h GLU 94 Ca -0.44 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2ka5 h GLU 94 Cb 1.26 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2ka5 h GLU 94 CO 0.44 0.58 0.05 -0.22 -0.73 0.00 0.00 179.01 179.13 2ka5 h LYS 95 N 0.56 0.00 0.07 1.92 3.11 -1.90 0.87 116.57 121.19 2ka5 h LYS 95 Ca 0.12 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.61 2ka5 h LYS 95 Cb 0.31 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.50 2ka5 h LYS 95 CO 0.01 0.00 -2.05 0.28 -2.81 0.00 0.00 179.45 174.87 2ka5 n VAL 96 N -4.52 1.68 0.03 2.00 0.31 0.09 -3.96 118.33 113.96 2ka5 n VAL 96 Ca -0.01 -0.68 0.06 0.00 -0.01 0.00 0.00 64.34 63.69 2ka5 n VAL 96 Cb 0.15 -1.47 0.47 0.00 -0.91 0.00 0.00 33.84 32.09 2ka5 n VAL 96 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2ka5 h GLU 97 N 0.04 0.43 0.00 5.55 4.39 -0.49 0.62 114.58 125.12 2ka5 h GLU 97 Ca -0.43 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.19 2ka5 h GLU 97 Cb 2.02 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.57 2ka5 h GLU 97 CO 0.05 0.28 -0.24 0.07 -1.16 0.00 0.00 179.01 178.01 2ka5 h ARG 98 N 0.44 0.00 0.06 2.33 -0.00 -0.99 -2.40 114.38 113.83 2ka5 h ARG 98 Ca 0.14 0.00 -0.38 0.00 -0.00 0.00 0.00 59.98 59.74 2ka5 h ARG 98 Cb 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 29.95 2ka5 h ARG 98 CO -0.03 0.24 -2.25 1.55 -0.00 0.00 0.00 179.97 179.49 2ka5 n VAL 99 N -3.86 1.63 0.19 0.08 3.14 -0.64 -3.91 118.33 114.95 2ka5 n VAL 99 Ca -0.02 -0.62 0.13 0.00 -2.96 0.00 0.00 64.34 60.87 2ka5 n VAL 99 Cb 0.33 -1.54 0.68 0.00 -1.06 0.00 0.00 33.84 32.25 2ka5 n VAL 99 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2ka5 h LEU 100 N 0.03 0.00 0.00 6.55 3.38 -0.82 -0.37 115.31 124.09 2ka5 h LEU 100 Ca -0.50 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.24 2ka5 h LEU 100 Cb 1.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.69 2ka5 h LEU 100 CO -0.00 0.00 -1.43 -0.24 0.09 0.00 0.00 178.44 176.86 2ka5 n SER 101 N -2.38 1.88 -0.23 -0.43 2.88 -0.91 -0.25 113.62 114.18 2ka5 n SER 101 Ca -0.02 0.43 0.01 0.00 -1.33 0.00 0.00 58.87 57.97 2ka5 n SER 101 Cb 0.06 -0.89 0.13 0.00 -0.75 0.00 0.00 64.21 62.76 2ka5 n SER 101 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ka5 h LEU 102 N -1.00 0.33 -0.05 2.46 -0.00 -1.57 0.02 115.31 115.49 2ka5 h LEU 102 Ca -0.34 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2ka5 h LEU 102 Cb 1.21 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 2ka5 h LEU 102 CO -0.21 0.18 0.00 0.00 -0.00 0.00 0.00 178.44 178.41 2ka5 h THR 103 N 0.49 0.00 -4.70 0.22 1.03 -1.30 -3.49 112.91 105.16 2ka5 h THR 103 Ca 0.34 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 2ka5 h THR 103 Cb 0.42 1.72 -0.05 0.00 -1.07 0.00 0.00 68.15 69.17 2ka5 h THR 103 CO -0.31 0.00 -1.04 0.59 -0.01 0.00 0.00 175.52 174.75 2ka5 n ASN 104 N -2.69 -4.24 0.06 0.00 5.03 -0.01 -5.08 115.26 108.34 2ka5 n ASN 104 Ca 0.05 1.15 0.00 0.00 0.87 0.00 0.00 54.58 56.65 2ka5 n ASN 104 Cb 0.47 -4.55 0.00 0.00 -1.02 0.00 0.00 39.78 34.68 2ka5 n ASN 104 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2ka5 n LEU 105 N 0.93 0.42 0.00 3.41 -0.00 0.65 -4.75 117.00 117.66 2ka5 n LEU 105 Ca -0.15 0.20 0.11 0.00 -0.00 0.00 0.00 56.01 56.17 2ka5 n LEU 105 Cb 0.23 -0.02 0.54 0.00 -0.00 0.00 0.00 43.42 44.17 2ka5 n LEU 105 CO 0.35 -0.60 1.16 -0.78 -0.00 0.00 0.00 177.39 177.52 2ka5 h ASP 106 N 0.00 0.27 0.10 1.96 3.58 -1.53 0.47 116.42 121.26 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 0.18 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2ka5 h ASP 106 CO 0.00 0.17 0.00 0.54 -2.88 0.00 0.00 179.24 177.07 2ka5 n ARG 107 N -4.47 0.47 0.00 0.28 1.74 -1.26 -3.20 116.66 110.22 2ka5 n ARG 107 Ca 0.07 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2ka5 n ARG 107 Cb 0.31 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.08 0.00 -4.60 0.55 5.41 -0.12 -5.07 119.36 114.45 2ka5 n ILE 108 Ca 0.12 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.63 2ka5 n ILE 108 Cb 0.08 -0.48 -0.14 0.00 -0.71 0.00 0.00 39.64 38.40 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 -1.87 1.55 0.81 1.39 1.01 -0.03 -5.09 120.40 118.17 2ka5 s VAL 109 Ca 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 60.74 2ka5 s VAL 109 Cb 0.00 -1.35 0.08 0.00 0.00 0.00 0.00 36.38 35.11 2ka5 s VAL 109 CO 0.00 0.18 1.10 -0.54 0.00 0.00 0.00 175.10 175.84 2ka5 s LYS 110 N -1.13 1.92 0.00 2.72 -0.14 -1.25 -4.29 119.74 117.57 2ka5 s LYS 110 Ca 0.06 1.23 0.00 0.00 -1.36 0.00 0.00 55.97 55.91 2ka5 s LYS 110 Cb -0.09 -1.85 -0.01 0.00 -1.68 0.00 0.00 37.83 34.21 2ka5 s LYS 110 CO 0.02 -1.90 -0.02 -1.50 -0.76 0.00 0.00 175.35 171.18 2ka5 s ILE 111 N -2.85 0.13 0.31 2.17 2.07 -1.26 -0.76 121.20 121.01 2ka5 s ILE 111 Ca 0.62 -0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.58 2ka5 s ILE 111 Cb -0.18 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 2ka5 s ILE 111 CO 0.57 -0.08 0.41 -0.31 -1.91 0.00 0.00 174.94 173.62 2ka5 s TYR 112 N -0.34 1.04 -0.22 3.50 1.51 -0.50 -4.88 117.35 117.46 2ka5 s TYR 112 Ca -0.03 -1.25 -0.02 0.00 -1.01 0.00 0.00 57.07 54.75 2ka5 s TYR 112 Cb -0.03 -0.16 -0.13 0.00 -0.11 0.00 0.00 41.96 41.53 2ka5 s TYR 112 CO -0.00 -1.03 -0.22 -3.47 -1.11 0.00 0.00 175.55 169.72 2ka5 n ASP 113 N -1.13 2.11 -0.48 2.29 2.03 -1.26 -2.21 116.55 117.91 2ka5 n ASP 113 Ca 0.01 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2ka5 n ASP 113 Cb 0.62 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2ka5 n ASP 113 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2ka5 n THR 114 N -3.41 0.00 -0.02 5.18 -2.24 -1.26 -2.54 114.28 109.99 2ka5 n THR 114 Ca -0.40 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.17 2ka5 n THR 114 Cb 0.88 -0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 2ka5 n THR 114 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2ka5 n ILE 115 N -0.13 1.73 0.02 2.28 2.08 -1.26 -4.50 119.36 119.58 2ka5 n ILE 115 Ca 0.00 -0.64 -0.05 0.00 0.56 0.00 0.00 62.75 62.62 2ka5 n ILE 115 Cb 0.00 -1.67 0.16 0.00 -0.75 0.00 0.00 39.64 37.38 2ka5 n ILE 115 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 2ka5 h SER 116 N 0.06 0.49 0.71 4.38 0.87 -1.98 0.25 113.55 118.32 2ka5 h SER 116 Ca -0.45 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 2ka5 h SER 116 Cb 2.01 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 2ka5 h SER 116 CO 0.06 0.81 0.00 -0.33 -0.53 0.00 0.00 176.83 176.84 2ka5 h GLU 117 N 0.40 0.00 0.00 2.24 5.08 -1.99 -2.86 114.58 117.45 2ka5 h GLU 117 Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 2ka5 h GLU 117 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2ka5 h GLU 117 CO 0.07 0.00 -1.06 0.00 -1.00 0.00 0.00 179.01 177.02 2ka5 n ALA 118 N -1.84 0.69 -0.34 3.43 0.00 -0.40 -3.99 120.51 118.06 2ka5 n ALA 118 Ca 0.01 -0.52 0.09 0.00 0.00 0.00 0.00 53.44 53.03 2ka5 n ALA 118 Cb 0.23 -0.27 0.28 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.00 0.88 0.00 0.00 4.05 -0.35 0.25 114.93 118.76 2ka5 h MET 119 Ca -0.23 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 2ka5 h MET 119 Cb 1.01 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 2ka5 h MET 119 CO -0.14 0.58 -0.72 -0.85 0.23 0.00 0.00 176.91 176.02 2ka5 n GLU 120 N -4.63 0.04 -0.08 0.39 0.28 -1.16 -4.18 120.64 111.30 2ka5 n GLU 120 Ca 0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.11 2ka5 n GLU 120 Cb 0.41 -1.51 -0.03 0.00 1.43 0.00 0.00 31.44 31.73 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 -1.56 0.49 -0.33 3.44 4.07 0.64 -4.39 120.64 123.00 2ka5 n GLU 121 Ca 0.05 0.47 0.18 0.00 -0.06 0.00 0.00 57.16 57.80 2ka5 n GLU 121 Cb 0.35 -1.65 0.36 0.00 -0.06 0.00 0.00 31.44 30.44 2ka5 n GLU 121 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2ka5 h VAL 122 N -1.00 0.09 -0.42 6.31 2.07 -1.12 0.48 116.25 122.66 2ka5 h VAL 122 Ca -0.08 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.54 2ka5 h VAL 122 Cb 0.75 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2ka5 h VAL 122 CO -0.05 0.01 0.44 0.08 0.02 0.00 0.00 177.57 178.07 2ka5 h ARG 123 N 0.06 0.00 -0.13 1.57 0.11 -1.77 -3.08 114.38 111.15 2ka5 h ARG 123 Ca 0.65 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.53 2ka5 h ARG 123 Cb 1.45 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.32 2ka5 h ARG 123 CO -0.82 0.00 -0.49 2.89 0.10 0.00 0.00 179.97 181.65 2ka5 n ARG 124 N -3.77 1.41 0.00 0.08 -4.01 0.49 -5.16 116.66 105.71 2ka5 n ARG 124 Ca 0.08 -1.84 0.02 0.00 -1.04 0.00 0.00 57.85 55.06 2ka5 n ARG 124 Cb 0.62 -0.11 0.11 0.00 -3.04 0.00 0.00 32.46 30.04 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95