#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 -0.25 3.02 3.03 0.00 -1.26 -5.17 105.19 104.57 2ka5 n GLY 2 Ca 0.00 0.77 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 2ka5 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ka5 s SER 3 N 0.00 -0.19 0.32 1.61 0.01 -1.26 -5.14 113.70 109.06 2ka5 s SER 3 Ca 0.00 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2ka5 s SER 3 Cb 0.00 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2ka5 s SER 3 CO 0.00 -0.12 0.00 0.47 0.41 0.00 0.00 173.24 174.00 2ka5 n ASP 4 N 3.68 -5.73 -3.52 2.44 8.00 -1.26 -4.93 116.55 115.24 2ka5 n ASP 4 Ca -0.20 0.67 -0.29 0.00 0.71 0.00 0.00 54.79 55.68 2ka5 n ASP 4 Cb 0.55 -3.08 -0.14 0.00 -0.02 0.00 0.00 41.12 38.44 2ka5 n ASP 4 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ka5 s LYS 5 N -2.79 0.38 -0.28 -1.24 -2.85 -1.26 -5.11 119.74 106.59 2ka5 s LYS 5 Ca 0.00 -0.92 0.01 0.00 -1.00 0.00 0.00 55.97 54.06 2ka5 s LYS 5 Cb 0.00 -1.27 0.08 0.00 -2.06 0.00 0.00 37.83 34.58 2ka5 s LYS 5 CO 0.00 -1.10 0.03 0.42 0.10 0.00 0.00 175.35 174.80 2ka5 s ILE 6 N 1.61 1.40 -0.37 3.79 1.01 -1.26 -5.03 121.20 122.36 2ka5 s ILE 6 Ca 0.13 -1.48 0.12 0.00 0.00 0.00 0.00 60.65 59.42 2ka5 s ILE 6 Cb -0.19 -1.89 0.37 0.00 0.01 0.00 0.00 42.46 40.75 2ka5 s ILE 6 CO -0.20 -0.41 0.82 0.00 0.00 0.00 0.00 174.94 175.15 2ka5 n HIS 7 N 4.66 0.02 -0.43 3.97 1.44 -1.26 -4.88 115.22 118.75 2ka5 n HIS 7 Ca -0.05 -3.45 0.00 0.00 -2.01 0.00 0.00 57.72 52.21 2ka5 n HIS 7 Cb 0.43 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.36 2ka5 n HIS 7 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2ka5 n HIS 8 N 0.21 0.00 -2.25 -1.40 1.44 -1.26 -5.07 115.22 106.88 2ka5 n HIS 8 Ca 0.20 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.56 2ka5 n HIS 8 Cb 0.70 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.81 2ka5 n HIS 8 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2ka5 s HIS 9 N -0.03 2.74 -0.17 -1.40 -3.43 -1.26 -5.05 115.29 106.69 2ka5 s HIS 9 Ca 0.00 1.55 -0.05 0.00 -0.80 0.00 0.00 55.06 55.76 2ka5 s HIS 9 Cb 0.00 -3.22 0.08 0.00 -1.43 0.00 0.00 32.58 28.01 2ka5 s HIS 9 CO 0.00 -1.42 0.29 -1.01 -2.00 0.00 0.00 174.74 170.59 2ka5 s HIS 10 N -1.90 -0.49 -0.47 0.38 3.76 -1.26 -5.11 115.29 110.20 2ka5 s HIS 10 Ca 0.71 0.86 -0.31 0.00 -0.15 0.00 0.00 55.06 56.17 2ka5 s HIS 10 Cb -0.22 -0.06 -0.11 0.00 1.11 0.00 0.00 32.58 33.30 2ka5 s HIS 10 CO 0.27 -0.47 2.34 0.72 -0.85 0.00 0.00 174.74 176.75 2ka5 n HIS 11 N 5.35 1.43 -3.59 1.40 8.25 -1.26 -4.92 115.22 121.89 2ka5 n HIS 11 Ca -0.06 0.20 -0.11 0.00 -0.26 0.00 0.00 57.72 57.50 2ka5 n HIS 11 Cb 0.50 -2.56 -0.03 0.00 1.12 0.00 0.00 29.99 29.01 2ka5 n HIS 11 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ka5 s HIS 12 N 9.11 -0.33 -0.03 4.41 5.04 -1.26 -5.12 115.29 127.11 2ka5 s HIS 12 Ca 1.09 0.04 -0.03 0.00 -1.54 0.00 0.00 55.06 54.62 2ka5 s HIS 12 Cb -0.66 0.47 0.01 0.00 0.04 0.00 0.00 32.58 32.44 2ka5 s HIS 12 CO 0.41 -0.87 0.06 -1.33 -2.34 0.00 0.00 174.74 170.67 2ka5 n MET 13 N -0.35 -4.18 -3.59 2.88 2.00 -1.26 -5.01 117.12 107.62 2ka5 n MET 13 Ca -0.14 3.15 -0.39 0.00 0.00 0.00 0.00 57.70 60.32 2ka5 n MET 13 Cb 0.64 -4.12 -0.06 0.00 0.00 0.00 0.00 33.22 29.67 2ka5 n MET 13 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2ka5 s PHE 14 N -0.51 3.73 -0.47 2.03 -0.71 -1.26 -4.98 117.98 115.81 2ka5 s PHE 14 Ca -0.07 -2.71 -0.06 0.00 -1.04 0.00 0.00 56.93 53.04 2ka5 s PHE 14 Cb 0.00 -3.38 -0.17 0.00 -1.21 0.00 0.00 43.02 38.26 2ka5 s PHE 14 CO 0.20 -0.84 2.95 -0.35 -1.34 0.00 0.00 175.22 175.84 2ka5 n PRO 15 N 3.05 2.16 -3.59 1.99 -0.04 -1.26 -4.78 135.00 132.52 2ka5 n PRO 15 Ca 0.16 -1.21 -0.09 0.00 -0.04 0.00 0.00 63.50 62.32 2ka5 n PRO 15 Cb 0.39 -2.18 -0.02 0.00 -0.04 0.00 0.00 33.50 31.66 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 1.78 -0.36 0.30 0.54 1.13 -1.26 -0.80 117.35 118.69 2ka5 s TYR 16 Ca 0.57 0.09 0.03 0.00 -1.41 0.00 0.00 57.07 56.35 2ka5 s TYR 16 Cb 0.23 0.60 -0.06 0.00 -1.10 0.00 0.00 41.96 41.63 2ka5 s TYR 16 CO -0.02 -0.89 0.06 -1.59 -2.51 0.00 0.00 175.55 170.60 2ka5 s LYS 17 N -3.62 1.57 -0.04 -3.49 -2.85 0.29 -4.92 119.74 106.68 2ka5 s LYS 17 Ca 0.06 -1.86 -0.01 0.00 -1.00 0.00 0.00 55.97 53.16 2ka5 s LYS 17 Cb -0.02 -0.73 0.03 0.00 -2.06 0.00 0.00 37.83 35.05 2ka5 s LYS 17 CO -0.05 -0.19 0.02 0.42 0.10 0.00 0.00 175.35 175.65 2ka5 s ILE 18 N -3.39 0.13 0.00 3.79 1.01 -1.26 -0.74 121.20 120.74 2ka5 s ILE 18 Ca 0.36 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.23 2ka5 s ILE 18 Cb 0.08 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.25 2ka5 s ILE 18 CO 0.14 0.19 0.00 1.33 0.00 0.00 0.00 174.94 176.60 2ka5 n VAL 19 N 4.82 0.00 0.00 2.92 0.24 -0.18 -4.97 118.33 121.16 2ka5 n VAL 19 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2ka5 n VAL 19 Cb 0.50 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 2ka5 n VAL 19 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2ka5 n ASP 20 N 0.00 0.00 -0.11 -1.34 9.92 -1.26 -3.79 116.55 119.97 2ka5 n ASP 20 Ca 0.00 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 2ka5 n ASP 20 Cb 0.00 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 2ka5 n ASP 20 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ka5 n ASP 21 N -1.84 0.00 -4.50 -2.24 8.00 -1.26 -5.11 116.55 109.60 2ka5 n ASP 21 Ca 0.00 -1.20 -0.33 0.00 0.71 0.00 0.00 54.79 53.97 2ka5 n ASP 21 Cb 0.00 -0.04 -0.13 0.00 -0.02 0.00 0.00 41.12 40.93 2ka5 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ka5 s VAL 22 N 0.00 3.35 0.14 2.53 1.01 -1.25 -4.54 120.40 121.65 2ka5 s VAL 22 Ca 0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2ka5 s VAL 22 Cb 0.00 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 2ka5 s VAL 22 CO 0.00 0.57 0.60 -0.69 0.00 0.00 0.00 175.10 175.59 2ka5 s VAL 23 N -0.48 4.74 -0.36 2.92 1.01 -0.53 -1.01 120.40 126.69 2ka5 s VAL 23 Ca 0.07 1.07 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2ka5 s VAL 23 Cb -0.12 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.55 2ka5 s VAL 23 CO 0.02 0.33 0.12 -0.63 0.00 0.00 0.00 175.10 174.94 2ka5 s ILE 24 N -1.37 1.54 0.32 2.22 1.09 0.08 -0.67 121.20 124.42 2ka5 s ILE 24 Ca 0.36 -2.04 -0.29 0.00 -1.10 0.00 0.00 60.65 57.59 2ka5 s ILE 24 Cb -0.17 -2.13 -0.10 0.00 -1.06 0.00 0.00 42.46 39.00 2ka5 s ILE 24 CO 0.20 -0.70 1.25 -0.76 -0.10 0.00 0.00 174.94 174.82 2ka5 s LEU 25 N 1.03 4.45 -0.51 2.97 2.01 -0.55 -0.54 118.68 127.54 2ka5 s LEU 25 Ca 0.12 2.56 0.06 0.00 0.01 0.00 0.00 54.13 56.89 2ka5 s LEU 25 Cb -0.20 -3.66 0.22 0.00 0.01 0.00 0.00 46.19 42.57 2ka5 s LEU 25 CO -0.13 -0.44 0.55 0.23 1.01 0.00 0.00 176.35 177.57 2ka5 n MET 26 N 0.87 1.30 -1.17 1.70 2.81 0.02 -2.69 117.12 119.96 2ka5 n MET 26 Ca -0.00 -3.81 -0.29 0.00 -1.81 0.00 0.00 57.70 51.79 2ka5 n MET 26 Cb 0.43 -1.75 0.16 0.00 -0.71 0.00 0.00 33.22 31.35 2ka5 n MET 26 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2ka5 s PRO 27 N -1.37 0.76 0.00 0.03 0.04 -1.25 -4.53 135.00 128.68 2ka5 s PRO 27 Ca 0.35 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2ka5 s PRO 27 Cb 0.11 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.89 2ka5 s PRO 27 CO -0.11 -2.54 0.00 0.27 0.04 0.00 0.00 177.00 174.66 2ka5 n ASN 28 N -4.07 0.00 -0.14 6.66 2.04 -1.26 -3.73 115.26 114.76 2ka5 n ASN 28 Ca 0.06 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.33 2ka5 n ASN 28 Cb 0.56 0.00 0.69 0.00 -2.53 0.00 0.00 39.78 38.50 2ka5 n ASN 28 CO 0.00 0.00 0.00 2.29 -0.44 0.00 0.00 177.26 179.11 2ka5 n LYS 29 N 0.00 1.19 0.06 -3.83 0.00 -1.26 -4.01 118.16 110.31 2ka5 n LYS 29 Ca 0.00 -0.28 0.04 0.00 -0.00 0.00 0.00 58.31 58.08 2ka5 n LYS 29 Cb 0.00 -1.42 -0.05 0.00 -0.00 0.00 0.00 35.03 33.56 2ka5 n LYS 29 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2ka5 n GLU 30 N -0.60 0.62 0.00 -1.58 0.28 -1.26 -4.81 120.64 113.29 2ka5 n GLU 30 Ca 0.19 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 2ka5 n GLU 30 Cb 0.16 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.22 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 -2.80 1.34 -3.78 -1.84 4.77 -1.26 -3.30 117.00 110.14 2ka5 n LEU 31 Ca -0.06 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 2ka5 n LEU 31 Cb 0.73 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2ka5 n LEU 31 CO 0.42 -0.20 -0.03 -0.46 -1.33 0.00 0.00 177.39 175.79 2ka5 n ASN 32 N -1.10 -0.69 0.00 -1.43 6.94 -1.26 -1.53 115.26 116.19 2ka5 n ASN 32 Ca 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.34 2ka5 n ASN 32 Cb 0.00 -0.27 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 2ka5 n ASN 32 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2ka5 n ILE 33 N -1.63 0.00 0.30 1.53 5.41 -1.26 -4.67 119.36 119.05 2ka5 n ILE 33 Ca -0.02 0.00 0.18 0.00 1.00 0.00 0.00 62.75 63.91 2ka5 n ILE 33 Cb 0.09 0.00 0.94 0.00 -0.71 0.00 0.00 39.64 39.96 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 0.00 -2.16 0.38 5.08 -1.52 -1.63 114.58 114.73 2ka5 h GLU 34 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2ka5 h GLU 34 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 2ka5 h GLU 34 CO 0.00 0.03 -0.84 -1.71 -1.00 0.00 0.00 179.01 175.50 2ka5 n ASN 35 N -3.32 2.86 0.01 1.42 5.15 -0.58 -4.90 115.26 115.90 2ka5 n ASN 35 Ca -0.02 -3.34 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 2ka5 n ASN 35 Cb 0.17 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 2ka5 n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ka5 n ALA 36 N 0.31 3.00 -0.15 5.20 0.00 -0.61 -4.30 120.51 123.96 2ka5 n ALA 36 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 2ka5 n ALA 36 Cb 0.48 0.04 0.20 0.00 0.00 0.00 0.00 19.45 20.18 2ka5 n ALA 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ka5 h HIS 37 N 0.00 0.87 0.00 0.00 -0.00 -1.92 -0.59 115.15 113.51 2ka5 h HIS 37 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2ka5 h HIS 37 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.15 2ka5 h HIS 37 CO 0.00 0.69 0.00 1.37 -0.00 0.00 0.00 177.93 179.99 2ka5 h LEU 38 N 0.84 0.00 -0.45 0.26 8.10 -1.90 -3.37 115.31 118.79 2ka5 h LEU 38 Ca 0.20 0.00 0.09 0.00 0.11 0.00 0.00 57.88 58.27 2ka5 h LEU 38 Cb 0.21 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.36 2ka5 h LEU 38 CO -0.01 0.00 -0.00 0.15 -4.11 0.00 0.00 178.44 174.47 2ka5 h PHE 39 N 0.00 -0.03 -0.40 0.17 3.57 -1.29 0.22 116.94 119.19 2ka5 h PHE 39 Ca 0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2ka5 h PHE 39 Cb 0.57 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2ka5 h PHE 39 CO 0.00 -0.10 -0.11 1.57 -2.23 0.00 0.00 178.31 177.44 2ka5 h LYS 40 N 0.11 0.78 -0.61 1.11 2.10 -1.72 -2.10 116.57 116.25 2ka5 h LYS 40 Ca 0.23 -0.31 0.07 0.00 -2.00 0.00 0.00 60.65 58.64 2ka5 h LYS 40 Cb 0.33 -0.04 -0.06 0.00 -0.90 0.00 0.00 32.23 31.56 2ka5 h LYS 40 CO -0.38 0.92 0.28 -0.22 -2.00 0.00 0.00 179.45 178.06 2ka5 h LYS 41 N 0.60 0.50 0.65 0.07 3.64 -0.86 0.37 116.57 121.53 2ka5 h LYS 41 Ca 0.10 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2ka5 h LYS 41 Cb 0.64 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2ka5 h LYS 41 CO 0.04 0.33 -0.31 2.35 -2.27 0.00 0.00 179.45 179.59 2ka5 h TRP 42 N 0.51 -0.81 -0.28 1.91 7.01 -0.94 -1.50 115.95 121.86 2ka5 h TRP 42 Ca 0.29 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.29 2ka5 h TRP 42 Cb 0.28 0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 2ka5 h TRP 42 CO -0.12 -0.50 0.18 0.28 -2.79 0.00 0.00 178.44 175.49 2ka5 h VAL 43 N -0.93 1.04 0.65 2.65 2.07 -1.06 1.00 116.25 121.66 2ka5 h VAL 43 Ca -0.09 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2ka5 h VAL 43 Cb 0.67 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2ka5 h VAL 43 CO 0.15 0.06 -0.49 -0.26 0.02 0.00 0.00 177.57 177.05 2ka5 h PHE 44 N 0.32 -1.33 -0.25 1.57 -1.00 -0.28 -2.42 116.94 113.56 2ka5 h PHE 44 Ca 0.11 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.80 2ka5 h PHE 44 Cb 0.04 0.49 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 2ka5 h PHE 44 CO -0.00 -0.69 -0.19 0.22 -1.61 0.00 0.00 178.31 176.04 2ka5 h ASP 45 N -1.09 0.60 1.41 2.17 3.58 -0.01 0.37 116.42 123.44 2ka5 h ASP 45 Ca -0.08 -0.45 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2ka5 h ASP 45 Cb 0.90 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2ka5 h ASP 45 CO 0.03 0.92 0.00 -0.08 -2.88 0.00 0.00 179.24 177.23 2ka5 h GLU 46 N 0.28 0.00 0.00 0.28 4.57 -0.98 -3.32 114.58 115.41 2ka5 h GLU 46 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2ka5 h GLU 46 Cb 0.73 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2ka5 h GLU 46 CO 0.05 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.07 2ka5 n PHE 47 N -2.66 -1.66 0.05 0.92 3.72 -1.00 -4.79 117.46 112.04 2ka5 n PHE 47 Ca 0.04 0.32 -0.13 0.00 -0.05 0.00 0.00 57.45 57.62 2ka5 n PHE 47 Cb 0.40 0.72 -0.08 0.00 -0.94 0.00 0.00 39.48 39.58 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 -0.08 -1.53 4.37 3.38 -0.45 0.14 115.31 121.14 2ka5 h LEU 48 Ca 0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2ka5 h LEU 48 Cb 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2ka5 h LEU 48 CO 0.00 0.18 -0.24 0.78 0.09 0.00 0.00 178.44 179.25 2ka5 h ASN 49 N -0.34 0.00 -0.30 -0.43 2.35 -0.59 -1.41 115.58 114.86 2ka5 h ASN 49 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2ka5 h ASN 49 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2ka5 h ASN 49 CO 0.02 0.24 0.18 0.11 -1.65 0.00 0.00 177.43 176.32 2ka5 h LYS 50 N 0.00 0.40 0.00 0.81 1.57 -1.54 -3.48 116.57 114.34 2ka5 h LYS 50 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ka5 h LYS 50 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2ka5 h LYS 50 CO 0.03 0.32 0.00 0.41 -0.57 0.00 0.00 179.45 179.64 2ka5 n GLY 51 N -1.04 -0.44 3.75 3.86 0.00 -0.10 -5.07 105.19 106.15 2ka5 n GLY 51 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.50 2.29 0.00 1.61 1.51 -0.41 -4.98 117.35 116.86 2ka5 s TYR 52 Ca 0.00 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.58 2ka5 s TYR 52 Cb 0.00 -3.51 0.00 0.00 -0.11 0.00 0.00 41.96 38.34 2ka5 s TYR 52 CO 0.00 -2.39 0.36 0.09 -1.11 0.00 0.00 175.55 172.50 2ka5 n ASN 53 N -1.85 0.72 -3.83 2.29 5.03 -1.26 -4.47 115.26 111.89 2ka5 n ASN 53 Ca 0.14 -0.89 -0.23 0.00 0.87 0.00 0.00 54.58 54.46 2ka5 n ASN 53 Cb 0.49 0.17 -0.17 0.00 -1.02 0.00 0.00 39.78 39.25 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 -0.17 0.89 0.14 3.52 1.02 -1.26 -1.80 119.74 122.07 2ka5 s LYS 54 Ca 0.00 -0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.02 2ka5 s LYS 54 Cb 0.00 -1.10 -0.04 0.00 -0.52 0.00 0.00 37.83 36.17 2ka5 s LYS 54 CO 0.00 -0.25 -0.12 0.42 -0.92 0.00 0.00 175.35 174.48 2ka5 s ILE 55 N 1.69 1.26 0.16 2.17 1.01 -1.19 -1.45 121.20 124.85 2ka5 s ILE 55 Ca 0.02 -1.88 0.04 0.00 0.00 0.00 0.00 60.65 58.83 2ka5 s ILE 55 Cb -0.13 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 2ka5 s ILE 55 CO -0.05 -0.57 -0.07 -0.36 0.00 0.00 0.00 174.94 173.89 2ka5 s PHE 56 N -2.69 1.30 -0.57 3.97 0.08 0.15 -3.20 117.98 117.02 2ka5 s PHE 56 Ca 0.13 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.40 2ka5 s PHE 56 Cb -0.02 -0.69 0.17 0.00 -0.57 0.00 0.00 43.02 41.91 2ka5 s PHE 56 CO 0.02 0.03 0.41 -1.17 -0.10 0.00 0.00 175.22 174.41 2ka5 s LEU 57 N -3.19 3.33 0.28 -0.37 2.96 -0.63 -1.48 118.68 119.57 2ka5 s LEU 57 Ca 0.19 -3.43 -0.30 0.00 -0.22 0.00 0.00 54.13 50.37 2ka5 s LEU 57 Cb 0.04 -1.13 -0.13 0.00 0.50 0.00 0.00 46.19 45.47 2ka5 s LEU 57 CO 0.02 -0.14 1.42 0.52 -1.32 0.00 0.00 176.35 176.86 2ka5 n VAL 58 N 2.47 1.28 -0.28 1.68 0.31 -1.09 -0.93 118.33 121.76 2ka5 n VAL 58 Ca 0.22 -0.32 0.03 0.00 -0.01 0.00 0.00 64.34 64.26 2ka5 n VAL 58 Cb 0.40 -1.63 0.04 0.00 -0.91 0.00 0.00 33.84 31.74 2ka5 n VAL 58 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ka5 n LEU 59 N 1.73 2.14 -0.31 7.52 4.77 0.13 -4.25 117.00 128.73 2ka5 n LEU 59 Ca 0.09 -2.28 0.12 0.00 -0.03 0.00 0.00 56.01 53.90 2ka5 n LEU 59 Cb 0.34 -0.12 0.26 0.00 -2.33 0.00 0.00 43.42 41.57 2ka5 n LEU 59 CO 0.63 0.56 0.85 0.28 -1.33 0.00 0.00 177.39 178.38 2ka5 h SER 60 N 0.09 -0.30 -0.13 -1.43 0.02 -1.75 -2.56 113.55 107.49 2ka5 h SER 60 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2ka5 h SER 60 Cb 0.64 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2ka5 h SER 60 CO 0.00 -0.25 0.00 -0.67 -1.14 0.00 0.00 176.83 174.77 2ka5 n ASP 61 N -5.38 3.04 -3.81 3.07 -0.08 -1.26 -4.81 116.55 107.33 2ka5 n ASP 61 Ca 0.20 -1.96 -0.27 0.00 -1.51 0.00 0.00 54.79 51.26 2ka5 n ASP 61 Cb 0.66 -0.07 -0.17 0.00 2.34 0.00 0.00 41.12 43.89 2ka5 n ASP 61 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2ka5 s VAL 62 N -1.77 0.74 0.23 5.18 0.11 -0.96 -4.36 120.40 119.57 2ka5 s VAL 62 Ca 0.30 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 58.86 2ka5 s VAL 62 Cb 0.20 -1.03 0.12 0.00 -1.53 0.00 0.00 36.38 34.14 2ka5 s VAL 62 CO 0.29 0.04 1.75 -0.08 -3.33 0.00 0.00 175.10 173.76 2ka5 h GLU 63 N 8.21 0.98 -2.52 1.54 4.81 -1.87 -3.46 114.58 122.26 2ka5 h GLU 63 Ca -0.20 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 58.70 2ka5 h GLU 63 Cb 1.12 -0.13 -0.21 0.00 0.63 0.00 0.00 28.75 30.16 2ka5 h GLU 63 CO 0.35 0.90 -0.07 -1.54 -0.73 0.00 0.00 179.01 177.92 2ka5 s SER 64 N -6.54 -0.45 0.09 1.04 1.04 -1.26 -4.19 113.70 103.42 2ka5 s SER 64 Ca -0.11 0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.92 2ka5 s SER 64 Cb 0.15 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 2ka5 s SER 64 CO 0.83 -0.42 0.22 -0.51 0.98 0.00 0.00 173.24 174.34 2ka5 s ILE 65 N -0.79 5.33 0.55 -1.02 2.07 -1.26 -4.96 121.20 121.12 2ka5 s ILE 65 Ca -0.09 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 58.66 2ka5 s ILE 65 Cb -0.03 -3.64 0.03 0.00 0.13 0.00 0.00 42.46 38.95 2ka5 s ILE 65 CO 0.05 0.07 0.78 -0.62 -1.91 0.00 0.00 174.94 173.32 2ka5 s ASP 66 N -2.71 5.33 0.00 4.50 2.15 -1.26 -4.88 116.67 119.81 2ka5 s ASP 66 Ca 0.35 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.43 2ka5 s ASP 66 Cb -0.12 -1.03 0.00 0.00 -0.30 0.00 0.00 42.92 41.47 2ka5 s ASP 66 CO 0.28 -1.11 0.27 -1.54 -0.17 0.00 0.00 175.17 172.89 2ka5 n SER 67 N -2.36 0.00 0.00 -0.34 3.41 -1.26 -1.85 113.62 111.22 2ka5 n SER 67 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2ka5 n SER 67 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2ka5 n SER 67 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2ka5 n PHE 68 N -0.77 0.00 0.25 7.33 -0.00 -1.26 -4.72 117.46 118.29 2ka5 n PHE 68 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.59 2ka5 n PHE 68 Cb 0.00 -0.03 0.33 0.00 -0.00 0.00 0.00 39.48 39.78 2ka5 n PHE 68 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2ka5 h SER 69 N 0.00 0.00 -1.09 -2.13 0.87 -1.91 -2.92 113.55 106.37 2ka5 h SER 69 Ca 0.00 0.00 0.30 0.00 -1.23 0.00 0.00 61.79 60.86 2ka5 h SER 69 Cb 0.00 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 2ka5 h SER 69 CO 0.00 0.00 0.73 0.25 -0.53 0.00 0.00 176.83 177.28 2ka5 h LEU 70 N 0.00 0.27 -0.08 2.23 5.85 -1.66 0.37 115.31 122.30 2ka5 h LEU 70 Ca 0.00 0.05 -0.25 0.00 0.84 0.00 0.00 57.88 58.53 2ka5 h LEU 70 Cb 0.84 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.90 2ka5 h LEU 70 CO 0.00 0.04 -1.02 1.23 -0.34 0.00 0.00 178.44 178.35 2ka5 h GLY 71 N 0.23 0.56 1.57 3.75 0.00 -1.79 -3.31 103.07 104.08 2ka5 h GLY 71 Ca 0.58 -1.02 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2ka5 h GLY 71 CO -0.19 0.90 -0.10 -2.08 0.00 0.00 0.00 176.54 175.07 2ka5 h VAL 72 N 0.27 1.23 -0.41 4.60 2.07 -0.46 -2.20 116.25 121.34 2ka5 h VAL 72 Ca -0.11 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.50 2ka5 h VAL 72 Cb 1.67 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 2ka5 h VAL 72 CO 0.19 0.32 0.06 0.40 0.02 0.00 0.00 177.57 178.56 2ka5 h ILE 73 N 0.48 0.76 -0.58 4.57 5.03 -1.16 0.86 117.51 127.47 2ka5 h ILE 73 Ca 0.09 -0.06 -0.11 0.00 -0.12 0.00 0.00 64.86 64.66 2ka5 h ILE 73 Cb 0.47 0.56 -0.02 0.00 -3.03 0.00 0.00 36.82 34.80 2ka5 h ILE 73 CO 0.03 0.03 -0.05 0.58 -0.68 0.00 0.00 178.15 178.06 2ka5 h VAL 74 N 0.19 1.27 -0.96 1.67 2.07 -1.58 -2.30 116.25 116.61 2ka5 h VAL 74 Ca 0.20 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 66.60 2ka5 h VAL 74 Cb 0.25 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 2ka5 h VAL 74 CO -0.28 0.43 0.60 -1.13 0.02 0.00 0.00 177.57 177.22 2ka5 h ASN 75 N 0.95 0.90 -0.84 0.57 -0.73 -0.69 0.54 115.58 116.28 2ka5 h ASN 75 Ca 0.16 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.34 2ka5 h ASN 75 Cb 0.62 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 39.02 2ka5 h ASN 75 CO 0.04 0.52 0.44 0.40 -0.37 0.00 0.00 177.43 178.46 2ka5 h ILE 76 N 1.00 1.25 -0.52 2.57 2.04 -0.63 -2.75 117.51 120.47 2ka5 h ILE 76 Ca 0.45 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 2ka5 h ILE 76 Cb 0.35 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2ka5 h ILE 76 CO -0.23 0.29 -0.00 0.25 0.00 0.00 0.00 178.15 178.46 2ka5 h LEU 77 N 1.18 0.91 -0.71 1.44 7.12 -0.37 -2.66 115.31 122.22 2ka5 h LEU 77 Ca 0.29 -0.31 0.10 0.00 0.13 0.00 0.00 57.88 58.10 2ka5 h LEU 77 Cb 0.07 -0.24 -0.07 0.00 -0.53 0.00 0.00 40.66 39.88 2ka5 h LEU 77 CO -0.04 0.99 0.34 0.11 -0.13 0.00 0.00 178.44 179.71 2ka5 h LYS 78 N 0.80 0.56 -0.14 1.25 1.57 -0.99 0.61 116.57 120.23 2ka5 h LYS 78 Ca 0.15 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 2ka5 h LYS 78 Cb 0.53 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 2ka5 h LYS 78 CO 0.03 0.37 -0.20 1.03 -0.57 0.00 0.00 179.45 180.11 2ka5 h SER 79 N 0.57 -0.61 -0.51 0.86 0.87 -1.20 0.12 113.55 113.65 2ka5 h SER 79 Ca 0.36 0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.90 2ka5 h SER 79 Cb 0.40 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2ka5 h SER 79 CO -0.29 -0.25 -0.16 0.40 -0.53 0.00 0.00 176.83 176.01 2ka5 h ILE 80 N -0.25 1.27 -0.38 2.23 2.04 -1.09 -0.97 117.51 120.36 2ka5 h ILE 80 Ca 0.10 -1.32 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 2ka5 h ILE 80 Cb 0.40 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2ka5 h ILE 80 CO -0.28 0.46 -0.12 -1.28 0.00 0.00 0.00 178.15 176.93 2ka5 h SER 81 N 0.89 0.66 -0.66 1.72 0.87 -0.72 -0.52 113.55 115.80 2ka5 h SER 81 Ca 0.13 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2ka5 h SER 81 Cb 0.74 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 2ka5 h SER 81 CO 0.06 0.81 0.09 0.28 -0.53 0.00 0.00 176.83 177.54 2ka5 h SER 82 N 0.62 1.07 0.04 6.23 0.02 -0.41 -3.38 113.55 117.73 2ka5 h SER 82 Ca 0.11 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2ka5 h SER 82 Cb 0.56 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2ka5 h SER 82 CO 0.04 1.07 -0.02 0.28 -1.14 0.00 0.00 176.83 177.06 2ka5 h SER 83 N 1.03 -0.04 0.00 3.07 0.02 -0.72 -3.49 113.55 113.41 2ka5 h SER 83 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2ka5 h SER 83 Cb 0.47 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2ka5 h SER 83 CO 0.02 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 2ka5 n GLY 84 N 0.95 0.00 0.00 -3.77 0.00 -0.25 -5.10 105.19 97.03 2ka5 n GLY 84 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 5.98 3.04 -0.02 0.00 -0.91 -4.96 105.19 108.33 2ka5 n GLY 85 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.28 0.52 -0.03 1.61 0.40 -0.75 -4.69 117.98 114.77 2ka5 s PHE 86 Ca 0.00 -0.60 -0.11 0.00 -0.60 0.00 0.00 56.93 55.62 2ka5 s PHE 86 Cb 0.00 -0.33 0.02 0.00 0.51 0.00 0.00 43.02 43.22 2ka5 s PHE 86 CO 0.00 -0.16 0.24 0.12 0.70 0.00 0.00 175.22 176.13 2ka5 s PHE 87 N -1.85 -0.14 0.26 0.36 5.36 -1.26 -3.19 117.98 117.52 2ka5 s PHE 87 Ca -0.09 0.25 -0.14 0.00 -0.96 0.00 0.00 56.93 55.99 2ka5 s PHE 87 Cb -0.07 0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.66 2ka5 s PHE 87 CO -0.02 -0.30 0.54 0.00 -1.46 0.00 0.00 175.22 173.98 2ka5 s ALA 88 N -0.99 -0.40 0.37 11.12 0.00 -1.19 -4.28 121.76 126.40 2ka5 s ALA 88 Ca -0.11 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.13 2ka5 s ALA 88 Cb -0.05 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 2ka5 s ALA 88 CO 0.02 -0.89 0.28 -0.51 0.00 0.00 0.00 175.76 174.66 2ka5 s LEU 89 N -3.01 3.40 0.02 0.00 1.43 -0.40 -1.61 118.68 118.51 2ka5 s LEU 89 Ca 0.20 -0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 2ka5 s LEU 89 Cb -0.02 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2ka5 s LEU 89 CO 0.09 -0.47 0.15 0.54 0.23 0.00 0.00 176.35 176.90 2ka5 s VAL 90 N -2.42 0.10 -1.24 -1.59 0.11 -0.11 0.00 120.40 115.25 2ka5 s VAL 90 Ca 0.43 -0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 58.32 2ka5 s VAL 90 Cb -0.03 -0.72 0.04 0.00 -1.53 0.00 0.00 36.38 34.14 2ka5 s VAL 90 CO 0.26 -0.47 0.62 -1.54 -3.33 0.00 0.00 175.10 170.64 2ka5 n SER 91 N 1.00 -3.69 0.00 3.54 3.41 -0.32 0.17 113.62 117.73 2ka5 n SER 91 Ca -0.20 -1.28 0.02 0.00 -0.26 0.00 0.00 58.87 57.15 2ka5 n SER 91 Cb 0.57 -1.82 0.11 0.00 -0.26 0.00 0.00 64.21 62.82 2ka5 n SER 91 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ka5 n PRO 92 N -4.95 0.57 0.00 4.33 -0.04 -1.26 -3.36 135.00 130.29 2ka5 n PRO 92 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2ka5 n PRO 92 Cb 0.58 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 2ka5 n PRO 92 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ka5 n ASN 93 N -0.60 -2.68 0.07 3.54 3.02 -1.26 -2.17 115.26 115.18 2ka5 n ASN 93 Ca 0.03 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 2ka5 n ASN 93 Cb 0.01 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.00 0.00 0.01 3.52 4.81 -1.93 -3.38 114.58 117.60 2ka5 h GLU 94 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 2ka5 h GLU 94 Cb 0.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 2ka5 h GLU 94 CO 0.00 0.00 -2.34 1.17 -0.73 0.00 0.00 179.01 177.11 2ka5 n LYS 95 N -2.22 0.68 0.08 1.92 0.00 -1.24 -2.11 118.16 115.26 2ka5 n LYS 95 Ca 0.03 0.08 -0.18 0.00 0.00 0.00 0.00 58.31 58.24 2ka5 n LYS 95 Cb 0.46 -1.55 -0.10 0.00 0.00 0.00 0.00 35.03 33.83 2ka5 n LYS 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2ka5 h VAL 96 N 0.00 1.36 -0.86 3.15 2.07 -1.60 -3.08 116.25 117.28 2ka5 h VAL 96 Ca -0.53 -2.53 0.18 0.00 0.82 0.00 0.00 66.70 64.64 2ka5 h VAL 96 Cb 2.11 2.60 -0.06 0.00 -1.52 0.00 0.00 31.29 34.42 2ka5 h VAL 96 CO -0.00 0.76 0.57 -0.33 0.02 0.00 0.00 177.57 178.59 2ka5 h GLU 97 N 0.24 0.45 -0.55 1.57 4.39 -1.61 0.71 114.58 119.78 2ka5 h GLU 97 Ca -0.14 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 2ka5 h GLU 97 Cb 1.78 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 2ka5 h GLU 97 CO 0.20 0.29 -0.09 0.07 -1.16 0.00 0.00 179.01 178.33 2ka5 h ARG 98 N 0.46 1.04 0.03 2.33 -0.00 -1.34 -3.07 114.38 113.83 2ka5 h ARG 98 Ca 0.44 -0.38 -0.33 0.00 -0.00 0.00 0.00 59.98 59.71 2ka5 h ARG 98 Cb 1.01 -0.07 -0.05 0.00 -0.00 0.00 0.00 29.97 30.86 2ka5 h ARG 98 CO -0.17 1.07 -1.94 1.55 -0.00 0.00 0.00 179.97 180.48 2ka5 n VAL 99 N -4.16 1.61 0.28 0.08 3.14 -0.48 -3.41 118.33 115.40 2ka5 n VAL 99 Ca 0.02 -0.75 0.07 0.00 -2.96 0.00 0.00 64.34 60.71 2ka5 n VAL 99 Cb 0.40 -1.16 0.33 0.00 -1.06 0.00 0.00 33.84 32.35 2ka5 n VAL 99 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2ka5 n LEU 100 N -3.13 0.27 -0.09 6.55 4.32 0.12 -0.92 117.00 124.12 2ka5 n LEU 100 Ca -0.25 0.59 -0.19 0.00 -0.02 0.00 0.00 56.01 56.14 2ka5 n LEU 100 Cb 1.06 -0.58 -0.11 0.00 -1.62 0.00 0.00 43.42 42.17 2ka5 n LEU 100 CO 0.43 -0.52 -0.28 -1.28 -1.22 0.00 0.00 177.39 174.51 2ka5 h SER 101 N 0.00 0.00 -0.79 -1.43 0.87 -1.61 0.32 113.55 110.91 2ka5 h SER 101 Ca 0.00 -0.59 -0.01 0.00 -1.23 0.00 0.00 61.79 59.96 2ka5 h SER 101 Cb 0.17 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2ka5 h SER 101 CO 0.00 1.32 0.45 -0.07 -0.53 0.00 0.00 176.83 178.00 2ka5 h LEU 102 N -1.00 0.98 0.00 2.23 -0.00 -1.18 -1.85 115.31 114.50 2ka5 h LEU 102 Ca -0.24 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2ka5 h LEU 102 Cb 1.17 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 2ka5 h LEU 102 CO -0.15 0.78 -0.60 0.00 -0.00 0.00 0.00 178.44 178.47 2ka5 h THR 103 N 1.11 0.00 -4.62 0.22 1.03 -1.27 -3.49 112.91 105.89 2ka5 h THR 103 Ca 0.29 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 2ka5 h THR 103 Cb -0.00 1.52 -0.04 0.00 -1.07 0.00 0.00 68.15 68.56 2ka5 h THR 103 CO -0.05 0.00 -0.96 0.59 -0.01 0.00 0.00 175.52 175.09 2ka5 n ASN 104 N -2.62 -4.43 0.01 0.00 3.02 -0.70 -5.08 115.26 105.46 2ka5 n ASN 104 Ca 0.02 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 2ka5 n ASN 104 Cb 0.51 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 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 0.85 0.08 0.23 3.41 -0.00 0.00 -4.76 117.00 116.81 2ka5 n LEU 105 Ca -0.13 0.02 0.09 0.00 -0.00 0.00 0.00 56.01 56.00 2ka5 n LEU 105 Cb 0.20 -0.02 0.65 0.00 -0.00 0.00 0.00 43.42 44.25 2ka5 n LEU 105 CO 0.34 -0.18 1.08 -2.24 -0.00 0.00 0.00 177.39 176.39 2ka5 h ASP 106 N 0.00 0.00 0.00 1.96 2.03 -1.61 -0.58 116.42 118.22 2ka5 h ASP 106 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ka5 h ASP 106 Cb 0.70 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 2ka5 h ASP 106 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.75 2ka5 n ARG 107 N -4.52 0.90 0.00 4.15 1.74 -1.26 -3.32 116.66 114.35 2ka5 n ARG 107 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2ka5 n ARG 107 Cb 0.14 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 2ka5 n ARG 107 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2ka5 n ILE 108 N -0.72 0.00 -2.93 0.55 5.41 -0.26 -5.11 119.36 116.30 2ka5 n ILE 108 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2ka5 n ILE 108 Cb 0.04 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.37 2ka5 n ILE 108 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2ka5 n VAL 109 N -1.99 0.00 -4.36 1.39 0.31 -0.97 -5.09 118.33 107.61 2ka5 n VAL 109 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 2ka5 n VAL 109 Cb 0.40 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.24 2ka5 n VAL 109 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ka5 s LYS 110 N 1.07 2.00 0.03 5.55 -0.14 -1.26 -4.85 119.74 122.13 2ka5 s LYS 110 Ca 0.00 -1.52 -0.04 0.00 -1.36 0.00 0.00 55.97 53.04 2ka5 s LYS 110 Cb 0.00 -2.00 -0.01 0.00 -1.68 0.00 0.00 37.83 34.13 2ka5 s LYS 110 CO 0.00 0.37 0.07 -1.50 -0.76 0.00 0.00 175.35 173.53 2ka5 s ILE 111 N -2.26 0.13 0.19 2.17 1.10 -1.26 -1.27 121.20 120.00 2ka5 s ILE 111 Ca 0.29 -1.08 -0.06 0.00 -0.51 0.00 0.00 60.65 59.29 2ka5 s ILE 111 Cb -0.06 -0.80 -0.02 0.00 0.15 0.00 0.00 42.46 41.72 2ka5 s ILE 111 CO 0.17 -0.60 0.24 -0.31 -2.11 0.00 0.00 174.94 172.33 2ka5 s TYR 112 N -2.42 0.70 -0.20 3.50 2.02 0.10 -4.84 117.35 116.20 2ka5 s TYR 112 Ca -0.07 -1.02 -0.21 0.00 -0.37 0.00 0.00 57.07 55.40 2ka5 s TYR 112 Cb -0.02 -0.23 -0.18 0.00 -0.40 0.00 0.00 41.96 41.12 2ka5 s TYR 112 CO -0.04 -0.72 0.20 -0.44 -1.57 0.00 0.00 175.55 172.98 2ka5 h ASP 113 N 2.56 0.00 -3.37 2.29 3.32 -1.88 -0.85 116.42 118.50 2ka5 h ASP 113 Ca -0.32 -0.49 -0.52 0.00 0.02 0.00 0.00 57.03 55.72 2ka5 h ASP 113 Cb 1.23 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.65 2ka5 h ASP 113 CO 0.49 1.45 -0.54 0.42 -1.72 0.00 0.00 179.24 179.33 2ka5 s THR 114 N -2.35 0.71 0.13 0.35 -4.23 -1.26 -3.08 115.64 105.90 2ka5 s THR 114 Ca -0.28 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.10 2ka5 s THR 114 Cb 0.06 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 2ka5 s THR 114 CO 0.57 0.00 1.51 0.40 -0.54 0.00 0.00 174.62 176.56 2ka5 h ILE 115 N 1.93 1.28 -0.31 2.99 1.08 -1.99 -3.10 117.51 119.39 2ka5 h ILE 115 Ca -0.37 -1.32 -0.10 0.00 -0.39 0.00 0.00 64.86 62.69 2ka5 h ILE 115 Cb 1.26 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 2ka5 h ILE 115 CO 0.59 0.44 -0.23 -1.28 -0.69 0.00 0.00 178.15 176.99 2ka5 h SER 116 N 0.65 0.59 0.28 1.72 0.87 -1.99 0.29 113.55 115.96 2ka5 h SER 116 Ca 0.09 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2ka5 h SER 116 Cb 0.74 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2ka5 h SER 116 CO 0.06 0.81 0.00 -0.62 -0.53 0.00 0.00 176.83 176.55 2ka5 n GLU 117 N -4.12 0.15 -0.06 2.24 1.02 -1.22 -3.11 120.64 115.54 2ka5 n GLU 117 Ca -0.00 0.18 -0.09 0.00 -0.02 0.00 0.00 57.16 57.23 2ka5 n GLU 117 Cb 0.41 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2ka5 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ka5 n ALA 118 N -1.33 1.78 0.22 0.62 0.00 -0.15 -4.45 120.51 117.20 2ka5 n ALA 118 Ca 0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 2ka5 n ALA 118 Cb 0.11 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.05 -0.50 0.00 0.00 4.05 -0.44 0.10 114.93 118.09 2ka5 h MET 119 Ca -0.28 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 2ka5 h MET 119 Cb 1.41 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 2ka5 h MET 119 CO -0.06 -0.33 -0.33 -0.85 0.23 0.00 0.00 176.91 175.56 2ka5 n GLU 120 N -5.32 0.21 -0.09 0.39 0.28 -1.25 -4.39 120.64 110.47 2ka5 n GLU 120 Ca -0.10 0.11 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 2ka5 n GLU 120 Cb 0.23 -1.68 -0.09 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 -0.54 3.44 4.57 -1.47 -3.33 114.58 117.25 2ka5 h GLU 121 Ca 0.00 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.34 2ka5 h GLU 121 Cb 0.69 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 2ka5 h GLU 121 CO 0.00 0.77 0.60 -0.24 -1.18 0.00 0.00 179.01 178.97 2ka5 h VAL 122 N -1.00 0.29 -0.85 0.32 3.04 -1.06 0.35 116.25 117.34 2ka5 h VAL 122 Ca -0.21 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.52 2ka5 h VAL 122 Cb 1.05 0.52 -0.05 0.00 -2.01 0.00 0.00 31.29 30.79 2ka5 h VAL 122 CO -0.13 0.00 0.54 0.03 -1.01 0.00 0.00 177.57 177.00 2ka5 h ARG 123 N 0.00 1.00 -0.35 4.17 2.47 -1.77 -3.36 114.38 116.55 2ka5 h ARG 123 Ca 0.26 -0.06 -0.28 0.00 -1.26 0.00 0.00 59.98 58.64 2ka5 h ARG 123 Cb 1.46 -0.23 -0.21 0.00 -1.65 0.00 0.00 29.97 29.35 2ka5 h ARG 123 CO -0.00 0.66 -0.58 2.89 0.56 0.00 0.00 179.97 183.50 2ka5 n ARG 124 N -4.58 1.08 0.00 0.04 -4.01 0.11 -5.15 116.66 104.16 2ka5 n ARG 124 Ca 0.11 -2.21 0.03 0.00 -1.04 0.00 0.00 57.85 54.75 2ka5 n ARG 124 Cb 0.12 -0.82 0.18 0.00 -3.04 0.00 0.00 32.46 28.90 2ka5 n ARG 124 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95