#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka5 s GLY 2 N 0.00 1.52 -0.17 3.03 0.00 -1.26 -5.08 107.32 105.36 2ka5 s GLY 2 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.34 2ka5 s GLY 2 CO 0.00 0.45 0.36 -1.35 0.00 0.00 0.00 173.10 172.56 2ka5 s SER 3 N -2.77 -0.06 -0.14 1.64 1.04 -1.26 -5.05 113.70 107.10 2ka5 s SER 3 Ca 0.68 0.83 -0.14 0.00 0.48 0.00 0.00 55.95 57.80 2ka5 s SER 3 Cb -0.22 1.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.91 2ka5 s SER 3 CO 0.63 -0.23 -0.28 -0.90 0.98 0.00 0.00 173.24 173.44 2ka5 n ASP 4 N 5.26 1.58 -0.69 7.02 5.75 -1.26 -5.15 116.55 129.06 2ka5 n ASP 4 Ca -0.09 0.27 0.04 0.00 -0.01 0.00 0.00 54.79 54.99 2ka5 n ASP 4 Cb 0.50 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 39.90 2ka5 n ASP 4 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2ka5 n LYS 5 N -4.09 -0.62 -3.91 0.11 2.85 -1.26 -5.06 118.16 106.18 2ka5 n LYS 5 Ca -0.11 0.48 -0.10 0.00 -1.05 0.00 0.00 58.31 57.53 2ka5 n LYS 5 Cb 0.41 -1.14 -0.10 0.00 -0.65 0.00 0.00 35.03 33.55 2ka5 n LYS 5 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2ka5 s ILE 6 N -3.75 0.11 0.15 0.58 1.10 -1.26 -5.08 121.20 113.05 2ka5 s ILE 6 Ca 0.00 -0.92 0.00 0.00 -0.51 0.00 0.00 60.65 59.22 2ka5 s ILE 6 Cb 0.00 -0.65 0.00 0.00 0.15 0.00 0.00 42.46 41.96 2ka5 s ILE 6 CO 0.00 -0.51 0.00 0.00 -2.11 0.00 0.00 174.94 172.32 2ka5 n HIS 7 N 1.11 -1.23 -1.37 3.50 1.44 -1.26 -5.17 115.22 112.23 2ka5 n HIS 7 Ca -0.21 0.22 0.14 0.00 -2.01 0.00 0.00 57.72 55.86 2ka5 n HIS 7 Cb 0.57 0.46 -0.08 0.00 0.12 0.00 0.00 29.99 31.06 2ka5 n HIS 7 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ka5 n HIS 8 N -3.06 -3.70 -3.51 -1.40 8.25 -1.26 -5.00 115.22 105.55 2ka5 n HIS 8 Ca 0.00 2.04 -0.18 0.00 -0.26 0.00 0.00 57.72 59.32 2ka5 n HIS 8 Cb 0.00 -3.34 -0.13 0.00 1.12 0.00 0.00 29.99 27.64 2ka5 n HIS 8 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ka5 s HIS 9 N -4.39 -0.27 0.31 4.41 3.76 -1.26 -5.14 115.29 112.71 2ka5 s HIS 9 Ca 0.00 0.26 0.03 0.00 -0.15 0.00 0.00 55.06 55.20 2ka5 s HIS 9 Cb 0.00 -0.35 -0.04 0.00 1.11 0.00 0.00 32.58 33.30 2ka5 s HIS 9 CO 0.00 -0.58 0.12 -1.01 -0.85 0.00 0.00 174.74 172.42 2ka5 s HIS 10 N 2.33 1.67 0.00 1.40 3.76 -1.26 -5.08 115.29 118.11 2ka5 s HIS 10 Ca 0.06 -1.22 0.00 0.00 -0.15 0.00 0.00 55.06 53.75 2ka5 s HIS 10 Cb -0.15 -0.99 0.00 0.00 1.11 0.00 0.00 32.58 32.55 2ka5 s HIS 10 CO -0.12 -0.34 0.00 -2.39 -0.85 0.00 0.00 174.74 171.05 2ka5 n HIS 11 N -0.61 -0.24 0.00 1.40 1.44 -1.26 -5.09 115.22 110.87 2ka5 n HIS 11 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2ka5 n HIS 11 Cb 0.66 0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.82 2ka5 n HIS 11 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ka5 n HIS 12 N -1.62 0.00 -3.82 -1.40 8.25 -1.26 -4.64 115.22 110.74 2ka5 n HIS 12 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2ka5 n HIS 12 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 2ka5 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ka5 s MET 13 N 0.00 1.48 -0.48 -0.41 -1.94 -1.26 -5.13 119.30 111.55 2ka5 s MET 13 Ca 0.00 -0.97 0.03 0.00 -1.71 0.00 0.00 55.69 53.04 2ka5 s MET 13 Cb 0.00 0.52 0.15 0.00 2.01 0.00 0.00 34.83 37.51 2ka5 s MET 13 CO 0.00 -0.63 0.31 -0.06 -0.01 0.00 0.00 175.02 174.62 2ka5 s PHE 14 N -3.91 2.10 -0.24 -0.03 0.08 -1.26 -5.00 117.98 109.70 2ka5 s PHE 14 Ca 0.12 -2.57 -0.06 0.00 0.12 0.00 0.00 56.93 54.55 2ka5 s PHE 14 Cb -0.02 -1.85 -0.21 0.00 -0.57 0.00 0.00 43.02 40.37 2ka5 s PHE 14 CO 0.01 -0.75 3.21 -0.35 -0.10 0.00 0.00 175.22 177.25 2ka5 n PRO 15 N 3.12 2.04 -3.84 0.24 -0.04 -1.26 -4.77 135.00 130.50 2ka5 n PRO 15 Ca 0.15 -1.08 -0.06 0.00 -0.04 0.00 0.00 63.50 62.47 2ka5 n PRO 15 Cb 0.37 -2.08 0.01 0.00 -0.04 0.00 0.00 33.50 31.77 2ka5 n PRO 15 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2ka5 s TYR 16 N 1.42 0.05 0.29 0.54 1.13 -1.26 -0.62 117.35 118.91 2ka5 s TYR 16 Ca 0.60 -0.57 0.02 0.00 -1.41 0.00 0.00 57.07 55.72 2ka5 s TYR 16 Cb 0.27 0.76 -0.03 0.00 -1.10 0.00 0.00 41.96 41.85 2ka5 s TYR 16 CO -0.01 -1.22 0.28 -1.59 -2.51 0.00 0.00 175.55 170.50 2ka5 s LYS 17 N -2.47 1.61 -0.02 -3.49 -2.85 0.40 -4.83 119.74 108.09 2ka5 s LYS 17 Ca 0.17 -1.83 0.04 0.00 -1.00 0.00 0.00 55.97 53.36 2ka5 s LYS 17 Cb -0.04 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.06 2ka5 s LYS 17 CO 0.08 -0.60 -0.15 0.42 0.10 0.00 0.00 175.35 175.20 2ka5 s ILE 18 N -3.62 1.25 0.00 3.79 1.01 -1.26 -0.70 121.20 121.67 2ka5 s ILE 18 Ca 0.38 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.37 2ka5 s ILE 18 Cb 0.03 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2ka5 s ILE 18 CO 0.21 0.36 0.00 1.33 0.00 0.00 0.00 174.94 176.84 2ka5 n VAL 19 N 2.88 0.00 -0.22 2.92 0.24 0.32 -4.98 118.33 119.50 2ka5 n VAL 19 Ca -0.16 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.06 2ka5 n VAL 19 Cb 0.54 -0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 32.64 2ka5 n VAL 19 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2ka5 h ASP 20 N 0.00 -1.44 0.00 -1.34 3.58 -2.01 -3.20 116.42 112.01 2ka5 h ASP 20 Ca 0.00 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2ka5 h ASP 20 Cb 0.00 0.62 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2ka5 h ASP 20 CO 0.00 -0.21 -0.32 -0.90 -2.88 0.00 0.00 179.24 174.93 2ka5 n ASP 21 N -4.57 0.72 -3.83 2.28 5.75 -1.26 -5.07 116.55 110.56 2ka5 n ASP 21 Ca -0.00 -2.26 -0.25 0.00 -0.01 0.00 0.00 54.79 52.27 2ka5 n ASP 21 Cb 0.20 -0.25 -0.17 0.00 -1.03 0.00 0.00 41.12 39.87 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 -0.85 0.70 0.58 2.12 1.01 -1.21 -4.50 120.40 118.25 2ka5 s VAL 22 Ca 0.09 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 2ka5 s VAL 22 Cb 0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2ka5 s VAL 22 CO 0.01 0.27 1.17 0.54 0.00 0.00 0.00 175.10 177.09 2ka5 s VAL 23 N 1.84 2.85 -0.33 2.92 0.11 -1.02 -0.52 120.40 126.24 2ka5 s VAL 23 Ca 0.04 0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 59.60 2ka5 s VAL 23 Cb -0.13 -3.19 0.11 0.00 -1.53 0.00 0.00 36.38 31.64 2ka5 s VAL 23 CO -0.07 -0.12 0.15 -0.63 -3.33 0.00 0.00 175.10 171.10 2ka5 s ILE 24 N -1.70 0.52 0.25 7.04 -1.09 0.13 -0.28 121.20 126.07 2ka5 s ILE 24 Ca 0.75 -1.45 -0.31 0.00 -2.23 0.00 0.00 60.65 57.41 2ka5 s ILE 24 Cb -0.27 -1.39 -0.12 0.00 -1.58 0.00 0.00 42.46 39.09 2ka5 s ILE 24 CO 0.31 -0.79 1.68 0.18 -1.23 0.00 0.00 174.94 175.09 2ka5 n LEU 25 N 4.60 4.21 -3.71 2.97 7.99 0.52 -0.45 117.00 133.14 2ka5 n LEU 25 Ca 0.01 1.10 -0.28 0.00 -0.01 0.00 0.00 56.01 56.83 2ka5 n LEU 25 Cb 0.40 -1.59 -0.11 0.00 -0.11 0.00 0.00 43.42 42.00 2ka5 n LEU 25 CO 0.12 0.20 -0.16 -0.04 -1.51 0.00 0.00 177.39 176.00 2ka5 s MET 26 N 0.44 1.81 0.47 3.23 -1.94 0.21 -1.76 119.30 121.75 2ka5 s MET 26 Ca 0.70 -2.78 -0.24 0.00 -1.71 0.00 0.00 55.69 51.66 2ka5 s MET 26 Cb -0.49 -2.63 -0.07 0.00 2.01 0.00 0.00 34.83 33.64 2ka5 s MET 26 CO 0.39 -1.31 1.38 -1.25 -0.01 0.00 0.00 175.02 174.23 2ka5 s PRO 27 N -0.74 3.59 0.00 2.03 0.04 -1.26 -4.16 135.00 134.51 2ka5 s PRO 27 Ca 0.27 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2ka5 s PRO 27 Cb -0.04 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.94 2ka5 s PRO 27 CO -0.16 -0.86 0.00 0.09 0.04 0.00 0.00 177.00 176.12 2ka5 n ASN 28 N -0.37 0.00 -0.27 6.66 3.02 -1.26 -3.55 115.26 119.49 2ka5 n ASN 28 Ca 0.06 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.64 2ka5 n ASN 28 Cb 0.43 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.64 2ka5 n ASN 28 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ka5 n LYS 29 N -0.69 0.34 0.01 3.52 4.01 -1.26 -4.35 118.16 119.74 2ka5 n LYS 29 Ca 0.00 -1.02 -0.04 0.00 -0.51 0.00 0.00 58.31 56.74 2ka5 n LYS 29 Cb 0.00 -1.13 0.19 0.00 -0.51 0.00 0.00 35.03 33.58 2ka5 n LYS 29 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 2ka5 h GLU 30 N 1.23 0.49 0.00 1.97 4.11 -1.93 -3.41 114.58 117.04 2ka5 h GLU 30 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2ka5 h GLU 30 Cb 0.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ka5 h GLU 30 CO 0.00 0.72 0.00 -0.11 0.07 0.00 0.00 179.01 179.69 2ka5 n LEU 31 N -4.11 1.73 -3.69 3.06 7.94 -1.26 -3.30 117.00 117.37 2ka5 n LEU 31 Ca -0.01 0.15 -0.29 0.00 -1.11 0.00 0.00 56.01 54.75 2ka5 n LEU 31 Cb 0.42 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.31 2ka5 n LEU 31 CO 0.42 0.00 -0.15 0.59 -1.11 0.00 0.00 177.39 177.15 2ka5 n ASN 32 N -0.44 -1.03 0.00 1.96 3.02 -1.26 -1.88 115.26 115.64 2ka5 n ASN 32 Ca 0.00 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 2ka5 n ASN 32 Cb 0.00 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 2ka5 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka5 n ILE 33 N -3.11 0.00 -0.18 2.41 0.00 -1.26 -4.74 119.36 112.48 2ka5 n ILE 33 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 62.75 62.94 2ka5 n ILE 33 Cb 0.34 0.00 0.49 0.00 0.00 0.00 0.00 39.64 40.47 2ka5 n ILE 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2ka5 h GLU 34 N 0.00 0.44 -2.25 9.51 5.08 -1.59 -3.00 114.58 122.76 2ka5 h GLU 34 Ca 0.00 -0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.76 2ka5 h GLU 34 Cb 0.00 -0.10 -0.42 0.00 0.50 0.00 0.00 28.75 28.73 2ka5 h GLU 34 CO 0.00 0.29 -0.71 -1.71 -1.00 0.00 0.00 179.01 175.88 2ka5 n ASN 35 N -4.49 4.03 0.00 1.42 5.15 -0.88 -4.83 115.26 115.67 2ka5 n ASN 35 Ca 0.15 -3.60 -0.01 0.00 -0.60 0.00 0.00 54.58 50.52 2ka5 n ASN 35 Cb 0.53 -0.57 -0.00 0.00 -0.53 0.00 0.00 39.78 39.21 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ka5 n ALA 36 N -0.15 2.14 0.27 5.20 0.00 -1.14 -3.85 120.51 122.99 2ka5 n ALA 36 Ca 0.30 -0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.69 2ka5 n ALA 36 Cb 0.42 0.07 0.72 0.00 0.00 0.00 0.00 19.45 20.67 2ka5 n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ka5 h HIS 37 N -0.14 0.00 0.02 0.00 3.86 -1.88 -1.34 115.15 115.67 2ka5 h HIS 37 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 2ka5 h HIS 37 Cb 0.14 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2ka5 h HIS 37 CO -0.06 0.01 -1.00 -0.07 0.86 0.00 0.00 177.93 177.68 2ka5 h LEU 38 N 0.00 0.10 -0.66 2.43 -0.00 -1.88 -3.32 115.31 111.98 2ka5 h LEU 38 Ca -0.00 -0.10 0.12 0.00 -0.00 0.00 0.00 57.88 57.90 2ka5 h LEU 38 Cb 0.03 -0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 40.53 2ka5 h LEU 38 CO 0.00 1.03 -0.28 0.15 -0.00 0.00 0.00 178.44 179.34 2ka5 h PHE 39 N 0.02 -0.74 -0.35 1.13 3.57 -1.34 0.24 116.94 119.47 2ka5 h PHE 39 Ca -0.03 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2ka5 h PHE 39 Cb 1.72 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 40.87 2ka5 h PHE 39 CO 0.01 -0.36 0.17 -0.22 -2.23 0.00 0.00 178.31 175.68 2ka5 h LYS 40 N -0.10 0.50 -0.28 1.11 3.64 -1.65 0.77 116.57 120.56 2ka5 h LYS 40 Ca 0.28 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2ka5 h LYS 40 Cb 0.55 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2ka5 h LYS 40 CO -0.72 0.45 0.16 -0.22 -2.27 0.00 0.00 179.45 176.85 2ka5 h LYS 41 N 0.42 0.39 0.81 1.90 3.64 -1.00 -0.55 116.57 122.18 2ka5 h LYS 41 Ca 0.12 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2ka5 h LYS 41 Cb 0.12 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2ka5 h LYS 41 CO -0.01 0.33 -0.39 2.35 -2.27 0.00 0.00 179.45 179.46 2ka5 h TRP 42 N 0.34 -1.00 -0.58 1.91 7.01 -0.53 0.56 115.95 123.65 2ka5 h TRP 42 Ca 0.10 -0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.25 2ka5 h TRP 42 Cb 0.05 0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 2ka5 h TRP 42 CO -0.04 -0.62 0.42 0.28 -2.79 0.00 0.00 178.44 175.69 2ka5 h VAL 43 N -1.21 0.71 0.31 2.65 2.07 -0.82 0.38 116.25 120.33 2ka5 h VAL 43 Ca -0.11 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2ka5 h VAL 43 Cb 0.83 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2ka5 h VAL 43 CO 0.18 0.00 -0.15 -0.26 0.02 0.00 0.00 177.57 177.36 2ka5 h PHE 44 N 0.00 -0.38 -0.44 1.57 -1.00 -0.93 -2.76 116.94 113.00 2ka5 h PHE 44 Ca 0.28 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.95 2ka5 h PHE 44 Cb 1.12 0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.79 2ka5 h PHE 44 CO -0.00 -0.24 -0.12 0.22 -1.61 0.00 0.00 178.31 176.56 2ka5 h ASP 45 N -0.56 0.79 0.50 2.17 1.82 0.21 0.24 116.42 121.58 2ka5 h ASP 45 Ca -0.04 -0.24 -0.15 0.00 -0.39 0.00 0.00 57.03 56.20 2ka5 h ASP 45 Cb 0.32 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 2ka5 h ASP 45 CO 0.07 0.92 -0.67 -0.08 -1.61 0.00 0.00 179.24 177.87 2ka5 h GLU 46 N 0.71 0.15 0.00 0.28 4.57 -0.47 -3.38 114.58 116.45 2ka5 h GLU 46 Ca 0.12 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2ka5 h GLU 46 Cb 0.61 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2ka5 h GLU 46 CO 0.04 0.77 -0.10 1.19 -1.18 0.00 0.00 179.01 179.73 2ka5 n PHE 47 N -3.79 -1.01 0.14 0.92 3.72 -1.06 -4.57 117.46 111.80 2ka5 n PHE 47 Ca -0.02 0.18 0.02 0.00 -0.05 0.00 0.00 57.45 57.58 2ka5 n PHE 47 Cb 0.66 0.27 0.39 0.00 -0.94 0.00 0.00 39.48 39.86 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 0.17 0.00 4.37 3.38 -0.72 -0.80 115.31 121.71 2ka5 h LEU 48 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ka5 h LEU 48 Cb 0.10 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2ka5 h LEU 48 CO 0.00 0.37 -0.04 0.78 0.09 0.00 0.00 178.44 179.64 2ka5 h ASN 49 N 0.16 0.00 0.52 -0.43 2.35 -0.80 -2.90 115.58 114.48 2ka5 h ASN 49 Ca 0.03 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2ka5 h ASN 49 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2ka5 h ASN 49 CO 0.03 0.00 -0.00 0.29 -1.65 0.00 0.00 177.43 176.10 2ka5 n LYS 50 N -2.99 0.48 -0.65 0.81 4.01 -0.49 -4.95 118.16 114.38 2ka5 n LYS 50 Ca 0.04 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 2ka5 n LYS 50 Cb 0.52 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 2ka5 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ka5 n GLY 51 N 1.26 0.73 3.77 0.72 0.00 -0.80 -5.04 105.19 105.83 2ka5 n GLY 51 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.48 2.81 -0.03 1.61 2.02 -0.43 -4.94 117.35 115.91 2ka5 s TYR 52 Ca 0.00 1.43 0.09 0.00 -0.37 0.00 0.00 57.07 58.22 2ka5 s TYR 52 Cb 0.00 -3.64 0.16 0.00 -0.40 0.00 0.00 41.96 38.08 2ka5 s TYR 52 CO 0.00 -2.04 1.07 0.09 -1.57 0.00 0.00 175.55 173.10 2ka5 n ASN 53 N 0.02 0.62 -3.31 2.29 5.03 -1.26 -4.38 115.26 114.27 2ka5 n ASN 53 Ca 0.04 -2.23 -0.10 0.00 0.87 0.00 0.00 54.58 53.17 2ka5 n ASN 53 Cb 0.44 -0.27 -0.06 0.00 -1.02 0.00 0.00 39.78 38.87 2ka5 n ASN 53 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2ka5 s LYS 54 N -0.51 0.44 0.18 3.52 1.02 -1.25 -0.70 119.74 122.44 2ka5 s LYS 54 Ca 0.14 0.01 -0.02 0.00 0.02 0.00 0.00 55.97 56.12 2ka5 s LYS 54 Cb 0.15 -0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 37.07 2ka5 s LYS 54 CO -0.04 -1.06 0.38 0.42 -0.92 0.00 0.00 175.35 174.14 2ka5 s ILE 55 N 2.41 5.19 0.27 2.17 1.09 -1.11 -2.42 121.20 128.81 2ka5 s ILE 55 Ca 0.10 -0.20 0.07 0.00 -1.10 0.00 0.00 60.65 59.53 2ka5 s ILE 55 Cb -0.12 -3.69 -0.06 0.00 -1.06 0.00 0.00 42.46 37.53 2ka5 s ILE 55 CO -0.27 -0.09 -0.07 -0.36 -0.10 0.00 0.00 174.94 174.05 2ka5 s PHE 56 N -1.79 1.94 -0.07 3.97 0.08 0.62 -3.01 117.98 119.72 2ka5 s PHE 56 Ca 0.39 -0.68 0.02 0.00 0.12 0.00 0.00 56.93 56.78 2ka5 s PHE 56 Cb -0.11 -1.09 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 2ka5 s PHE 56 CO 0.27 0.29 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.40 2ka5 s LEU 57 N -3.43 1.59 -0.12 -0.37 2.96 -0.57 -0.35 118.68 118.38 2ka5 s LEU 57 Ca 0.29 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.84 2ka5 s LEU 57 Cb 0.03 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 2ka5 s LEU 57 CO 0.12 0.02 0.14 -0.69 -1.32 0.00 0.00 176.35 174.61 2ka5 s VAL 58 N 0.77 5.50 -0.49 1.68 1.01 -0.73 -0.03 120.40 128.11 2ka5 s VAL 58 Ca -0.13 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.12 2ka5 s VAL 58 Cb -0.15 -3.40 0.39 0.00 0.00 0.00 0.00 36.38 33.21 2ka5 s VAL 58 CO 0.02 0.62 1.04 0.18 0.00 0.00 0.00 175.10 176.96 2ka5 n LEU 59 N 1.98 4.52 -0.07 3.92 4.32 -0.40 -4.21 117.00 127.05 2ka5 n LEU 59 Ca -0.20 -5.37 -0.15 0.00 -0.02 0.00 0.00 56.01 50.27 2ka5 n LEU 59 Cb 0.55 -0.47 -0.06 0.00 -1.62 0.00 0.00 43.42 41.83 2ka5 n LEU 59 CO 0.31 2.27 -1.00 -0.24 -1.22 0.00 0.00 177.39 177.51 2ka5 n SER 60 N -0.37 1.56 -0.03 -1.43 2.88 -1.26 -4.00 113.62 110.97 2ka5 n SER 60 Ca 0.35 0.11 -0.13 0.00 -1.33 0.00 0.00 58.87 57.87 2ka5 n SER 60 Cb 0.56 -0.38 -0.11 0.00 -0.75 0.00 0.00 64.21 63.52 2ka5 n SER 60 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2ka5 h ASP 61 N -0.40 0.01 -3.90 -3.46 1.82 -1.88 -3.43 116.42 105.19 2ka5 h ASP 61 Ca -0.37 -0.64 -0.52 0.00 -0.39 0.00 0.00 57.03 55.12 2ka5 h ASP 61 Cb 1.38 -0.00 0.06 0.00 0.68 0.00 0.00 39.33 41.44 2ka5 h ASP 61 CO -0.18 0.65 0.57 0.54 -1.61 0.00 0.00 179.24 179.20 2ka5 s VAL 62 N -3.64 2.95 0.07 2.25 0.11 -1.23 -4.95 120.40 115.96 2ka5 s VAL 62 Ca -0.17 0.89 -0.08 0.00 -2.93 0.00 0.00 61.98 59.69 2ka5 s VAL 62 Cb 0.00 -3.54 -0.28 0.00 -1.53 0.00 0.00 36.38 31.03 2ka5 s VAL 62 CO 0.68 0.17 1.13 -0.08 -3.33 0.00 0.00 175.10 173.67 2ka5 h GLU 63 N 3.13 0.40 -2.44 1.54 4.81 -1.85 -3.46 114.58 116.71 2ka5 h GLU 63 Ca -0.49 -0.61 0.08 0.00 -0.13 0.00 0.00 59.36 58.21 2ka5 h GLU 63 Cb 1.23 0.22 -0.15 0.00 0.63 0.00 0.00 28.75 30.68 2ka5 h GLU 63 CO 0.64 1.27 0.42 0.45 -0.73 0.00 0.00 179.01 181.07 2ka5 s SER 64 N -7.27 -0.42 0.82 1.04 0.15 -1.26 -3.93 113.70 102.83 2ka5 s SER 64 Ca -0.06 0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.48 2ka5 s SER 64 Cb 0.07 0.44 0.08 0.00 -1.71 0.00 0.00 66.02 64.90 2ka5 s SER 64 CO 0.90 -0.70 1.18 -0.51 1.20 0.00 0.00 173.24 175.30 2ka5 s ILE 65 N -3.22 2.02 0.32 6.45 2.07 -1.26 -4.92 121.20 122.66 2ka5 s ILE 65 Ca 0.04 0.01 0.08 0.00 -1.41 0.00 0.00 60.65 59.36 2ka5 s ILE 65 Cb -0.01 -2.98 -0.04 0.00 0.13 0.00 0.00 42.46 39.56 2ka5 s ILE 65 CO -0.10 -0.01 0.19 -1.81 -1.91 0.00 0.00 174.94 171.31 2ka5 s ASP 66 N -4.53 5.00 0.56 4.50 1.01 -1.26 -4.98 116.67 116.96 2ka5 s ASP 66 Ca 0.62 -0.60 0.30 0.00 0.71 0.00 0.00 52.55 53.58 2ka5 s ASP 66 Cb -0.11 -0.90 1.65 0.00 1.01 0.00 0.00 42.92 44.57 2ka5 s ASP 66 CO 0.49 -0.27 2.15 0.77 0.21 0.00 0.00 175.17 178.53 2ka5 h SER 67 N 1.45 0.00 0.00 0.27 4.64 -2.00 -1.30 113.55 116.61 2ka5 h SER 67 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2ka5 h SER 67 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2ka5 h SER 67 CO 0.61 0.07 0.00 0.33 -0.87 0.00 0.00 176.83 176.97 2ka5 n PHE 68 N -3.62 0.00 0.40 4.77 7.35 -1.26 -3.79 117.46 121.32 2ka5 n PHE 68 Ca -0.02 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.79 2ka5 n PHE 68 Cb 0.18 -0.40 0.50 0.00 0.35 0.00 0.00 39.48 40.11 2ka5 n PHE 68 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2ka5 h SER 69 N 0.00 0.00 -1.10 -2.13 0.87 -1.91 -2.55 113.55 106.73 2ka5 h SER 69 Ca 0.00 0.00 0.32 0.00 -1.23 0.00 0.00 61.79 60.88 2ka5 h SER 69 Cb 0.00 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 61.84 2ka5 h SER 69 CO 0.00 0.00 0.68 -0.07 -0.53 0.00 0.00 176.83 176.91 2ka5 h LEU 70 N 0.00 0.44 0.00 2.23 3.38 -1.33 -0.01 115.31 120.01 2ka5 h LEU 70 Ca 0.00 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2ka5 h LEU 70 Cb 0.41 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2ka5 h LEU 70 CO 0.00 -0.03 -0.74 1.23 0.09 0.00 0.00 178.44 178.99 2ka5 h GLY 71 N 0.32 0.00 1.59 0.83 0.00 -1.60 -3.30 103.07 100.91 2ka5 h GLY 71 Ca 0.69 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.75 2ka5 h GLY 71 CO -0.42 0.00 -1.19 -2.08 0.00 0.00 0.00 176.54 172.85 2ka5 h VAL 72 N 0.00 1.47 -0.39 4.60 2.07 -1.20 -3.02 116.25 119.78 2ka5 h VAL 72 Ca -0.04 -2.91 0.05 0.00 0.82 0.00 0.00 66.70 64.62 2ka5 h VAL 72 Cb 1.20 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.77 2ka5 h VAL 72 CO 0.02 0.85 0.13 0.40 0.02 0.00 0.00 177.57 179.00 2ka5 h ILE 73 N 0.11 0.88 -0.82 4.57 1.08 -1.22 -1.19 117.51 120.93 2ka5 h ILE 73 Ca -0.13 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 2ka5 h ILE 73 Cb 1.90 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 36.18 2ka5 h ILE 73 CO 0.20 0.05 0.39 0.58 -0.69 0.00 0.00 178.15 178.68 2ka5 h VAL 74 N 0.29 1.26 -0.59 1.67 2.07 -1.63 -2.83 116.25 116.48 2ka5 h VAL 74 Ca 0.18 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 67.09 2ka5 h VAL 74 Cb 0.16 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.06 2ka5 h VAL 74 CO -0.18 0.31 0.13 -1.13 0.02 0.00 0.00 177.57 176.71 2ka5 h ASN 75 N 1.16 0.01 -0.90 0.57 -0.73 -1.11 0.48 115.58 115.07 2ka5 h ASN 75 Ca 0.28 0.11 0.07 0.00 1.87 0.00 0.00 56.30 58.63 2ka5 h ASN 75 Cb 0.12 0.15 -0.07 0.00 0.27 0.00 0.00 38.32 38.80 2ka5 h ASN 75 CO -0.03 0.01 0.56 0.40 -0.37 0.00 0.00 177.43 178.00 2ka5 h ILE 76 N 0.26 1.02 -0.18 2.57 2.04 -1.16 -1.72 117.51 120.33 2ka5 h ILE 76 Ca 0.31 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2ka5 h ILE 76 Cb 0.45 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2ka5 h ILE 76 CO -0.39 0.18 -0.02 0.25 0.00 0.00 0.00 178.15 178.17 2ka5 h LEU 77 N 0.99 0.33 -0.14 1.44 7.12 -0.74 -1.84 115.31 122.47 2ka5 h LEU 77 Ca 0.40 -0.33 0.04 0.00 0.13 0.00 0.00 57.88 58.12 2ka5 h LEU 77 Cb 0.23 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.23 2ka5 h LEU 77 CO -0.19 0.58 -0.09 0.11 -0.13 0.00 0.00 178.44 178.72 2ka5 h LYS 78 N 0.07 -0.09 -0.21 1.25 1.57 -0.83 -0.22 116.57 118.12 2ka5 h LYS 78 Ca 0.05 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2ka5 h LYS 78 Cb 0.42 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 2ka5 h LYS 78 CO 0.01 -0.06 -0.18 1.03 -0.57 0.00 0.00 179.45 179.69 2ka5 h SER 79 N -0.09 -0.56 -0.25 0.86 0.87 -1.26 -0.33 113.55 112.78 2ka5 h SER 79 Ca 0.09 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2ka5 h SER 79 Cb 0.22 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2ka5 h SER 79 CO -0.20 -0.22 0.10 0.40 -0.53 0.00 0.00 176.83 176.38 2ka5 h ILE 80 N -0.18 1.17 -0.11 2.23 2.04 -0.76 0.39 117.51 122.28 2ka5 h ILE 80 Ca 0.12 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.50 2ka5 h ILE 80 Cb 0.37 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 2ka5 h ILE 80 CO -0.32 0.18 -0.33 0.28 0.00 0.00 0.00 178.15 177.95 2ka5 h SER 81 N 0.25 -1.04 0.46 1.72 0.02 -0.82 -0.80 113.55 113.35 2ka5 h SER 81 Ca 0.08 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2ka5 h SER 81 Cb 0.18 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2ka5 h SER 81 CO -0.01 -0.37 0.00 0.28 -1.14 0.00 0.00 176.83 175.59 2ka5 h SER 82 N -0.42 0.00 0.06 3.07 0.02 -0.61 -2.94 113.55 112.73 2ka5 h SER 82 Ca 0.09 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.88 2ka5 h SER 82 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2ka5 h SER 82 CO -0.35 0.00 -0.82 0.28 -1.14 0.00 0.00 176.83 174.80 2ka5 h SER 83 N 0.00 0.19 0.00 3.07 0.02 -0.22 -3.49 113.55 113.12 2ka5 h SER 83 Ca 0.00 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 2ka5 h SER 83 Cb 0.23 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2ka5 h SER 83 CO 0.00 1.35 0.00 0.61 -1.14 0.00 0.00 176.83 177.65 2ka5 n GLY 84 N 1.62 -0.22 0.00 -3.77 0.00 -0.66 -5.10 105.19 97.07 2ka5 n GLY 84 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 2.14 3.25 -0.02 0.00 -0.40 -5.01 105.19 105.16 2ka5 n GLY 85 Ca 0.00 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.75 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 0.89 1.24 -0.18 1.61 0.40 0.13 -3.98 117.98 118.08 2ka5 s PHE 86 Ca 0.00 -1.08 -0.20 0.00 -0.60 0.00 0.00 56.93 55.05 2ka5 s PHE 86 Cb 0.00 -0.71 0.05 0.00 0.51 0.00 0.00 43.02 42.88 2ka5 s PHE 86 CO 0.00 -0.28 0.54 0.12 0.70 0.00 0.00 175.22 176.31 2ka5 s PHE 87 N -3.73 -0.57 0.22 0.36 5.36 -1.26 -2.73 117.98 115.63 2ka5 s PHE 87 Ca 0.27 1.34 -0.12 0.00 -0.96 0.00 0.00 56.93 57.46 2ka5 s PHE 87 Cb 0.07 0.22 -0.00 0.00 -0.34 0.00 0.00 43.02 42.96 2ka5 s PHE 87 CO 0.06 -0.33 0.43 0.00 -1.46 0.00 0.00 175.22 173.92 2ka5 s ALA 88 N 0.02 -0.19 0.33 11.12 0.00 -1.16 -4.17 121.76 127.70 2ka5 s ALA 88 Ca -0.02 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.17 2ka5 s ALA 88 Cb -0.04 1.03 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 2ka5 s ALA 88 CO 0.02 -0.80 -0.00 -0.51 0.00 0.00 0.00 175.76 174.47 2ka5 s LEU 89 N -3.00 2.97 0.04 0.00 1.43 -0.43 -1.51 118.68 118.18 2ka5 s LEU 89 Ca 0.21 -0.97 -0.09 0.00 -1.03 0.00 0.00 54.13 52.25 2ka5 s LEU 89 Cb 0.00 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.87 2ka5 s LEU 89 CO 0.06 -0.20 0.18 -0.69 0.23 0.00 0.00 176.35 175.93 2ka5 s VAL 90 N -2.51 0.11 -1.20 -1.59 1.01 0.95 -0.95 120.40 116.23 2ka5 s VAL 90 Ca 0.34 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 2ka5 s VAL 90 Cb -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.47 2ka5 s VAL 90 CO 0.19 -0.52 0.70 -0.24 0.00 0.00 0.00 175.10 175.23 2ka5 n SER 91 N 0.69 -4.20 -4.55 3.32 2.88 -0.47 -1.27 113.62 110.01 2ka5 n SER 91 Ca -0.19 -1.10 -0.39 0.00 -1.33 0.00 0.00 58.87 55.86 2ka5 n SER 91 Cb 0.59 -2.84 -0.03 0.00 -0.75 0.00 0.00 64.21 61.18 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 -6.48 3.08 0.89 -1.46 0.04 -1.26 -3.88 135.00 125.92 2ka5 s PRO 92 Ca 0.41 -0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.12 2ka5 s PRO 92 Cb -0.17 -4.52 0.09 0.00 0.04 0.00 0.00 34.50 29.94 2ka5 s PRO 92 CO 0.90 -2.40 0.93 0.09 0.04 0.00 0.00 177.00 176.55 2ka5 n ASN 93 N 10.48 -0.25 0.17 6.66 3.02 -1.26 -4.85 115.26 129.23 2ka5 n ASN 93 Ca 0.16 0.44 0.02 0.00 -0.03 0.00 0.00 54.58 55.17 2ka5 n ASN 93 Cb 0.50 -1.40 0.30 0.00 -0.61 0.00 0.00 39.78 38.57 2ka5 n ASN 93 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2ka5 h GLU 94 N -1.51 0.00 0.02 3.52 4.81 -1.95 -2.96 114.58 116.51 2ka5 h GLU 94 Ca -0.44 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 2ka5 h GLU 94 Cb 1.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 2ka5 h GLU 94 CO 0.40 0.46 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.79 2ka5 h LYS 95 N 0.00 -0.22 0.16 1.92 3.11 -1.91 -0.47 116.57 119.16 2ka5 h LYS 95 Ca -0.00 0.01 -0.29 0.00 -2.81 0.00 0.00 60.65 57.56 2ka5 h LYS 95 Cb 0.83 0.05 0.03 0.00 -1.00 0.00 0.00 32.23 32.14 2ka5 h LYS 95 CO 0.06 -0.14 -1.22 -0.24 -2.81 0.00 0.00 179.45 175.10 2ka5 h VAL 96 N -0.22 1.33 -1.00 2.00 3.04 -1.66 -3.15 116.25 116.58 2ka5 h VAL 96 Ca 0.04 -2.53 0.26 0.00 -1.01 0.00 0.00 66.70 63.47 2ka5 h VAL 96 Cb 0.27 2.89 -0.07 0.00 -2.01 0.00 0.00 31.29 32.37 2ka5 h VAL 96 CO -0.11 0.75 0.68 -0.33 -1.01 0.00 0.00 177.57 177.55 2ka5 h GLU 97 N 0.11 0.24 0.02 4.17 4.39 -1.34 0.34 114.58 122.50 2ka5 h GLU 97 Ca -0.20 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.52 2ka5 h GLU 97 Cb 1.92 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.48 2ka5 h GLU 97 CO 0.23 0.16 -0.25 -0.09 -1.16 0.00 0.00 179.01 177.90 2ka5 h ARG 98 N 0.25 -0.38 -0.26 2.33 1.12 -1.04 0.11 114.38 116.52 2ka5 h ARG 98 Ca 0.53 0.03 -0.10 0.00 -1.11 0.00 0.00 59.98 59.32 2ka5 h ARG 98 Cb 1.60 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 31.64 2ka5 h ARG 98 CO -0.16 -0.25 -0.24 0.28 -3.11 0.00 0.00 179.97 176.48 2ka5 h VAL 99 N -0.39 1.31 -0.41 0.20 2.07 -1.14 -1.33 116.25 116.55 2ka5 h VAL 99 Ca 0.06 -1.41 0.12 0.00 0.82 0.00 0.00 66.70 66.29 2ka5 h VAL 99 Cb 0.47 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2ka5 h VAL 99 CO -0.21 0.44 0.32 -0.07 0.02 0.00 0.00 177.57 178.08 2ka5 h LEU 100 N 0.33 0.00 -1.36 2.57 3.38 -0.73 0.39 115.31 119.89 2ka5 h LEU 100 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ka5 h LEU 100 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ka5 h LEU 100 CO 0.06 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.39 2ka5 n SER 101 N -4.24 2.05 0.00 -0.43 7.64 0.36 -1.92 113.62 117.08 2ka5 n SER 101 Ca 0.07 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.19 2ka5 n SER 101 Cb 0.51 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.58 0.00 -0.44 -3.43 4.77 0.37 -4.79 117.00 114.06 2ka5 n LEU 102 Ca 0.17 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.20 2ka5 n LEU 102 Cb 0.39 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2ka5 n LEU 102 CO 0.14 0.00 0.45 1.07 -1.33 0.00 0.00 177.39 177.72 2ka5 n THR 103 N -1.16 0.22 -2.90 -5.08 5.66 0.11 -5.04 114.28 106.09 2ka5 n THR 103 Ca 0.00 -0.61 -0.04 0.00 -3.05 0.00 0.00 64.05 60.35 2ka5 n THR 103 Cb 0.03 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 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 0.53 -7.54 0.06 1.09 3.02 -1.17 -5.02 115.26 106.22 2ka5 n ASN 104 Ca 0.07 0.96 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 2ka5 n ASN 104 Cb 0.28 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 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 0.62 0.54 -0.25 3.41 -0.00 -0.81 -4.60 117.00 115.90 2ka5 n LEU 105 Ca 0.01 0.18 0.19 0.00 -0.00 0.00 0.00 56.01 56.39 2ka5 n LEU 105 Cb 0.23 -0.09 0.50 0.00 -0.00 0.00 0.00 43.42 44.07 2ka5 n LEU 105 CO 0.36 -0.60 1.22 -0.78 -0.00 0.00 0.00 177.39 177.60 2ka5 h ASP 106 N 0.00 0.43 0.10 1.96 1.82 -1.75 0.85 116.42 119.83 2ka5 h ASP 106 Ca 0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2ka5 h ASP 106 Cb 0.20 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2ka5 h ASP 106 CO 0.00 0.17 0.00 0.54 -1.61 0.00 0.00 179.24 178.34 2ka5 n ARG 107 N -4.53 0.50 0.00 0.28 1.74 -1.26 -3.36 116.66 110.03 2ka5 n ARG 107 Ca 0.20 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2ka5 n ARG 107 Cb 0.70 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 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 -4.71 0.55 5.41 -0.23 -5.07 119.36 114.23 2ka5 n ILE 108 Ca 0.13 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.58 2ka5 n ILE 108 Cb 0.09 -0.39 -0.13 0.00 -0.71 0.00 0.00 39.64 38.50 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 -1.68 2.46 0.66 1.39 1.01 0.13 -5.06 120.40 119.31 2ka5 s VAL 109 Ca 0.00 -1.36 -0.15 0.00 0.00 0.00 0.00 61.98 60.47 2ka5 s VAL 109 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2ka5 s VAL 109 CO 0.00 0.31 1.13 -0.54 0.00 0.00 0.00 175.10 176.00 2ka5 s LYS 110 N -1.47 2.70 0.01 2.72 -0.14 -1.26 -4.30 119.74 118.00 2ka5 s LYS 110 Ca 0.14 1.49 -0.03 0.00 -1.36 0.00 0.00 55.97 56.21 2ka5 s LYS 110 Cb -0.10 -1.93 -0.01 0.00 -1.68 0.00 0.00 37.83 34.11 2ka5 s LYS 110 CO 0.04 -1.34 0.04 -1.50 -0.76 0.00 0.00 175.35 171.83 2ka5 s ILE 111 N -2.21 0.09 0.17 2.17 2.07 -1.26 -1.31 121.20 120.92 2ka5 s ILE 111 Ca 0.69 -0.77 -0.09 0.00 -1.41 0.00 0.00 60.65 59.07 2ka5 s ILE 111 Cb -0.23 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 2ka5 s ILE 111 CO 0.41 -0.42 0.29 -0.31 -1.91 0.00 0.00 174.94 173.00 2ka5 s TYR 112 N -1.34 0.42 -0.13 3.50 1.51 -0.13 -4.88 117.35 116.31 2ka5 s TYR 112 Ca -0.14 -0.77 -0.21 0.00 -1.01 0.00 0.00 57.07 54.93 2ka5 s TYR 112 Cb -0.08 -0.05 -0.26 0.00 -0.11 0.00 0.00 41.96 41.46 2ka5 s TYR 112 CO 0.00 -0.74 0.58 0.22 -1.11 0.00 0.00 175.55 174.50 2ka5 h ASP 113 N 2.52 0.22 -1.60 2.29 1.82 -1.94 -2.83 116.42 116.91 2ka5 h ASP 113 Ca -0.31 -0.82 -0.63 0.00 -0.39 0.00 0.00 57.03 54.88 2ka5 h ASP 113 Cb 1.23 -0.07 -0.13 0.00 0.68 0.00 0.00 39.33 41.04 2ka5 h ASP 113 CO 0.47 1.42 -0.59 0.42 -1.61 0.00 0.00 179.24 179.36 2ka5 s THR 114 N -2.38 2.00 0.14 2.25 -4.23 -1.26 -1.37 115.64 110.78 2ka5 s THR 114 Ca -0.21 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.21 2ka5 s THR 114 Cb 0.03 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.90 2ka5 s THR 114 CO 0.72 0.00 1.57 0.40 -0.54 0.00 0.00 174.62 176.76 2ka5 h ILE 115 N 1.71 1.27 -0.39 2.99 1.08 -1.95 -3.30 117.51 118.93 2ka5 h ILE 115 Ca -0.44 -1.16 -0.12 0.00 -0.39 0.00 0.00 64.86 62.75 2ka5 h ILE 115 Cb 1.24 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 2ka5 h ILE 115 CO 0.80 0.40 -0.24 -1.28 -0.69 0.00 0.00 178.15 177.13 2ka5 h SER 116 N 0.68 0.80 0.21 1.72 0.87 -1.98 0.37 113.55 116.23 2ka5 h SER 116 Ca 0.12 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2ka5 h SER 116 Cb 0.59 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2ka5 h SER 116 CO 0.04 1.01 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.87 2ka5 h GLU 117 N 0.68 0.00 0.00 2.24 5.08 -1.99 -2.82 114.58 117.77 2ka5 h GLU 117 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2ka5 h GLU 117 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2ka5 h GLU 117 CO 0.06 0.14 -0.06 0.00 -1.00 0.00 0.00 179.01 178.15 2ka5 h ALA 118 N 1.86 0.01 -0.46 3.43 0.00 -1.25 -3.16 119.26 119.69 2ka5 h ALA 118 Ca -0.00 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 54.75 2ka5 h ALA 118 Cb 0.28 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2ka5 h ALA 118 CO 0.02 0.04 0.36 1.98 0.00 0.00 0.00 179.25 181.65 2ka5 h MET 119 N -1.00 0.00 0.00 0.00 -1.53 -0.07 0.26 114.93 112.58 2ka5 h MET 119 Ca -0.01 0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.13 2ka5 h MET 119 Cb 0.53 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.56 2ka5 h MET 119 CO -0.01 0.00 -2.04 -0.85 0.14 0.00 0.00 176.91 174.15 2ka5 n GLU 120 N -4.25 0.72 -0.07 0.39 -0.00 -1.18 -4.45 120.64 111.81 2ka5 n GLU 120 Ca 0.08 -0.13 -0.10 0.00 -0.00 0.00 0.00 57.16 57.02 2ka5 n GLU 120 Cb 0.56 -1.48 -0.08 0.00 -0.00 0.00 0.00 31.44 30.44 2ka5 n GLU 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2ka5 h GLU 121 N 0.00 0.00 -1.01 3.44 4.81 -0.55 -3.36 114.58 117.92 2ka5 h GLU 121 Ca -0.17 0.00 0.34 0.00 -0.13 0.00 0.00 59.36 59.40 2ka5 h GLU 121 Cb 1.33 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.55 2ka5 h GLU 121 CO 0.01 0.63 0.57 0.28 -0.73 0.00 0.00 179.01 179.77 2ka5 h VAL 122 N -1.00 0.25 -0.33 0.32 2.07 -1.27 0.44 116.25 116.73 2ka5 h VAL 122 Ca -0.04 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.48 2ka5 h VAL 122 Cb 0.70 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2ka5 h VAL 122 CO -0.03 0.05 0.58 0.03 0.02 0.00 0.00 177.57 178.23 2ka5 h ARG 123 N 0.28 0.00 -0.00 1.57 2.47 -1.78 -3.12 114.38 113.80 2ka5 h ARG 123 Ca 0.75 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 59.31 2ka5 h ARG 123 Cb 1.77 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.95 2ka5 h ARG 123 CO -0.62 0.00 -0.29 2.89 0.56 0.00 0.00 179.97 182.51 2ka5 n ARG 124 N -3.26 0.98 0.00 0.04 0.00 0.12 -5.15 116.66 109.39 2ka5 n ARG 124 Ca 0.06 -1.18 0.00 0.00 -0.00 0.00 0.00 57.85 56.73 2ka5 n ARG 124 Cb 0.72 0.43 0.00 0.00 -0.00 0.00 0.00 32.46 33.60 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99