#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ky8 s ASN 3 N 0.00 5.11 -0.09 0.00 0.01 -1.26 -0.67 114.94 118.04 3ky8 s ASN 3 Ca 0.00 -0.29 0.03 0.00 -0.71 0.00 0.00 52.86 51.90 3ky8 s ASN 3 Cb 0.00 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.75 3ky8 s ASN 3 CO 0.00 -0.06 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.69 3ky8 s ILE 4 N 1.60 1.84 -0.13 0.60 1.01 0.44 -1.44 121.20 125.11 3ky8 s ILE 4 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 3ky8 s ILE 4 Cb -0.15 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3ky8 s ILE 4 CO 0.03 0.51 0.26 -0.69 0.00 0.00 0.00 174.94 175.05 3ky8 s VAL 5 N 0.46 5.31 -0.25 2.92 1.01 -0.32 -0.20 120.40 129.34 3ky8 s VAL 5 Ca -0.17 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 3ky8 s VAL 5 Cb -0.17 -3.58 0.09 0.00 0.00 0.00 0.00 36.38 32.72 3ky8 s VAL 5 CO 0.07 0.48 0.13 0.12 0.00 0.00 0.00 175.10 175.90 3ky8 s PHE 6 N -0.15 0.22 0.02 5.22 2.19 -1.26 -0.48 117.98 123.75 3ky8 s PHE 6 Ca 0.16 -0.63 -0.15 0.00 0.33 0.00 0.00 56.93 56.64 3ky8 s PHE 6 Cb -0.13 -0.80 0.02 0.00 -1.31 0.00 0.00 43.02 40.81 3ky8 s PHE 6 CO 0.05 -0.73 0.33 -1.50 1.83 0.00 0.00 175.22 175.20 3ky8 s ILE 7 N 2.13 0.07 -0.09 3.12 2.07 -0.90 -5.01 121.20 122.60 3ky8 s ILE 7 Ca 0.07 -0.57 -0.04 0.00 -1.41 0.00 0.00 60.65 58.69 3ky8 s ILE 7 Cb -0.16 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 3ky8 s ILE 7 CO -0.27 -0.31 0.10 0.00 -1.91 0.00 0.00 174.94 172.54 3ky8 s ALA 8 N -2.16 3.68 0.03 1.50 0.00 -1.26 -1.63 121.76 121.92 3ky8 s ALA 8 Ca -0.08 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3ky8 s ALA 8 Cb -0.02 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 3ky8 s ALA 8 CO -0.01 0.63 -0.06 -0.08 0.00 0.00 0.00 175.76 176.24 3ky8 s THR 9 N -1.02 0.43 0.99 0.00 -1.32 -0.06 -4.58 115.64 110.08 3ky8 s THR 9 Ca 0.16 -0.93 -0.12 0.00 -1.21 0.00 0.00 61.69 59.59 3ky8 s THR 9 Cb -0.12 -0.50 0.18 0.00 -1.51 0.00 0.00 72.50 70.56 3ky8 s THR 9 CO 0.06 -0.34 1.08 -0.94 -2.21 0.00 0.00 174.62 172.27 3ky8 s SER 10 N -1.36 2.64 0.28 8.08 1.04 -0.22 -0.82 113.70 123.34 3ky8 s SER 10 Ca -0.10 1.45 -0.01 0.00 0.48 0.00 0.00 55.95 57.77 3ky8 s SER 10 Cb -0.09 -2.12 0.45 0.00 0.10 0.00 0.00 66.02 64.36 3ky8 s SER 10 CO 0.00 -3.15 1.89 0.25 0.98 0.00 0.00 173.24 173.20 3ky8 h LEU 11 N -1.91 1.00 -0.94 2.42 5.85 -0.61 -1.33 115.31 119.79 3ky8 h LEU 11 Ca -0.53 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3ky8 h LEU 11 Cb 1.31 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3ky8 h LEU 11 CO 0.54 0.63 0.00 -0.90 -0.34 0.00 0.00 178.44 178.37 3ky8 n ASP 12 N -4.50 1.28 0.00 1.25 5.75 -1.26 -4.92 116.55 114.15 3ky8 n ASP 12 Ca 0.15 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3ky8 n ASP 12 Cb 0.20 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3ky8 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ky8 n GLY 13 N 0.51 0.52 3.89 6.12 0.00 -0.50 -5.01 105.19 110.72 3ky8 n GLY 13 Ca 0.05 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 3ky8 n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ky8 s TYR 14 N -2.00 3.56 -0.81 1.61 2.02 -1.26 -1.28 117.35 119.20 3ky8 s TYR 14 Ca 0.00 0.53 0.18 0.00 -0.37 0.00 0.00 57.07 57.41 3ky8 s TYR 14 Cb 0.00 -1.96 -0.20 0.00 -0.40 0.00 0.00 41.96 39.40 3ky8 s TYR 14 CO 0.00 0.60 0.75 0.44 -1.57 0.00 0.00 175.55 175.78 3ky8 n ILE 15 N 0.99 0.00 -3.86 2.71 -5.35 0.52 -1.05 119.36 113.32 3ky8 n ILE 15 Ca -0.10 -0.09 -0.09 0.00 -0.27 0.00 0.00 62.75 62.19 3ky8 n ILE 15 Cb 0.53 0.95 -0.08 0.00 -1.74 0.00 0.00 39.64 39.30 3ky8 n ILE 15 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ky8 s ALA 16 N -2.75 -0.25 0.98 -1.28 0.00 -1.23 -4.97 121.76 112.26 3ky8 s ALA 16 Ca 0.06 -0.52 -0.13 0.00 0.00 0.00 0.00 51.96 51.37 3ky8 s ALA 16 Cb 0.14 0.41 0.19 0.00 0.00 0.00 0.00 23.12 23.85 3ky8 s ALA 16 CO 0.75 -0.45 1.13 -0.40 0.00 0.00 0.00 175.76 176.79 3ky8 n ASP 17 N 0.20 0.16 0.10 0.00 5.68 -0.47 -1.90 116.55 120.32 3ky8 n ASP 17 Ca -0.16 -1.45 0.07 0.00 -0.50 0.00 0.00 54.79 52.74 3ky8 n ASP 17 Cb 0.61 -0.86 0.36 0.00 -1.14 0.00 0.00 41.12 40.09 3ky8 n ASP 17 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3ky8 n LYS 18 N -3.38 0.08 -0.14 0.11 2.85 -1.20 -1.26 118.16 115.22 3ky8 n LYS 18 Ca 0.14 0.58 0.07 0.00 -1.05 0.00 0.00 58.31 58.06 3ky8 n LYS 18 Cb 0.50 -1.78 0.15 0.00 -0.65 0.00 0.00 35.03 33.25 3ky8 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3ky8 n ARG 19 N -1.96 2.11 -0.75 -1.58 1.74 -1.26 -4.79 116.66 110.16 3ky8 n ARG 19 Ca -0.01 -1.89 0.00 0.00 -0.77 0.00 0.00 57.85 55.18 3ky8 n ARG 19 Cb 0.02 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3ky8 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ky8 n GLY 20 N 0.85 0.71 3.96 -0.13 0.00 -0.39 -5.05 105.19 105.13 3ky8 n GLY 20 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 3ky8 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ky8 s LYS 21 N -0.25 3.03 -0.09 1.61 1.02 -1.26 -4.66 119.74 119.15 3ky8 s LYS 21 Ca 0.00 -1.07 0.13 0.00 0.02 0.00 0.00 55.97 55.05 3ky8 s LYS 21 Cb 0.00 -2.74 0.19 0.00 -0.52 0.00 0.00 37.83 34.76 3ky8 s LYS 21 CO 0.00 0.09 1.08 1.28 -0.92 0.00 0.00 175.35 176.88 3ky8 n LEU 22 N -1.56 1.87 -0.11 3.17 4.77 -1.26 -1.37 117.00 122.51 3ky8 n LEU 22 Ca -0.01 -2.51 0.08 0.00 -0.03 0.00 0.00 56.01 53.54 3ky8 n LEU 22 Cb 0.58 -0.29 0.42 0.00 -2.33 0.00 0.00 43.42 41.81 3ky8 n LEU 22 CO 0.42 0.59 1.19 0.44 -1.33 0.00 0.00 177.39 178.70 3ky8 h ASP 23 N 0.00 0.51 0.44 -1.43 3.32 -2.00 -1.30 116.42 115.96 3ky8 h ASP 23 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ky8 h ASP 23 Cb 0.99 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3ky8 h ASP 23 CO 0.00 0.33 0.00 4.11 -1.72 0.00 0.00 179.24 181.96 3ky8 h TRP 24 N 0.58 0.00 0.00 4.55 5.08 -2.01 -0.19 115.95 123.96 3ky8 h TRP 24 Ca 0.27 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.20 3ky8 h TRP 24 Cb 0.31 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.46 3ky8 h TRP 24 CO -0.00 0.00 -0.20 -0.07 -1.28 0.00 0.00 178.44 176.89 3ky8 h LEU 25 N 0.00 0.00 -3.61 0.11 3.38 -1.62 -2.81 115.31 110.77 3ky8 h LEU 25 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3ky8 h LEU 25 Cb 0.22 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.79 3ky8 h LEU 25 CO 0.00 0.20 0.38 1.41 0.09 0.00 0.00 178.44 180.51 3ky8 n HIS 26 N -3.92 2.43 1.07 1.13 8.25 -0.08 -4.18 115.22 119.92 3ky8 n HIS 26 Ca -0.02 -1.33 0.12 0.00 -0.26 0.00 0.00 57.72 56.24 3ky8 n HIS 26 Cb 0.28 -0.73 0.32 0.00 1.12 0.00 0.00 29.99 30.98 3ky8 n HIS 26 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3ky8 n SER 27 N -0.42 2.30 -3.94 0.41 3.41 -1.06 -4.79 113.62 109.53 3ky8 n SER 27 Ca 0.43 -1.78 -0.27 0.00 -0.26 0.00 0.00 58.87 56.99 3ky8 n SER 27 Cb 1.39 -0.08 -0.17 0.00 -0.26 0.00 0.00 64.21 65.09 3ky8 n SER 27 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ky8 s VAL 28 N -1.84 1.13 0.51 -3.33 1.01 -1.26 -5.12 120.40 111.50 3ky8 s VAL 28 Ca 0.34 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 3ky8 s VAL 28 Cb 0.20 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.40 3ky8 s VAL 28 CO 0.30 0.38 1.11 -2.16 0.00 0.00 0.00 175.10 174.74 3ky8 s PRO 29 N 1.55 3.57 -0.43 2.72 0.04 -1.26 -4.99 135.00 136.20 3ky8 s PRO 29 Ca 0.03 1.58 0.08 0.00 0.04 0.00 0.00 61.00 62.73 3ky8 s PRO 29 Cb -0.13 -2.12 0.31 0.00 0.04 0.00 0.00 34.50 32.60 3ky8 s PRO 29 CO -0.07 -0.67 0.92 -1.71 0.04 0.00 0.00 177.00 175.52 3ky8 n ASN 30 N -1.02 -1.23 0.30 6.66 5.15 -1.26 -4.99 115.26 118.87 3ky8 n ASN 30 Ca 0.10 -3.37 0.17 0.00 -0.60 0.00 0.00 54.58 50.88 3ky8 n ASN 30 Cb 0.51 0.93 0.93 0.00 -0.53 0.00 0.00 39.78 41.61 3ky8 n ASN 30 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3ky8 h PRO 31 N 3.20 0.00 -0.28 1.20 0.13 -2.01 -0.94 132.00 133.29 3ky8 h PRO 31 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3ky8 h PRO 31 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3ky8 h PRO 31 CO 0.29 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.19 3ky8 n ASN 32 N -3.54 3.15 -3.70 1.44 5.03 -1.26 -4.98 115.26 111.40 3ky8 n ASN 32 Ca -0.02 -1.96 -0.26 0.00 0.87 0.00 0.00 54.58 53.21 3ky8 n ASN 32 Cb 0.14 -0.18 0.03 0.00 -1.02 0.00 0.00 39.78 38.75 3ky8 n ASN 32 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3ky8 n ASN 33 N 1.32 -3.30 -4.74 6.41 4.13 -0.36 -4.93 115.26 113.79 3ky8 n ASN 33 Ca 0.18 -0.94 -0.41 0.00 1.68 0.00 0.00 54.58 55.09 3ky8 n ASN 33 Cb 0.57 -3.65 -0.03 0.00 -1.54 0.00 0.00 39.78 35.13 3ky8 n ASN 33 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ky8 s VAL 34 N -3.61 3.32 0.06 2.41 1.01 -1.26 -5.00 120.40 117.32 3ky8 s VAL 34 Ca 0.25 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 3ky8 s VAL 34 Cb -0.08 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3ky8 s VAL 34 CO 0.84 0.21 1.03 -0.62 0.00 0.00 0.00 175.10 176.56 3ky8 s ASP 35 N -0.04 7.33 -0.22 3.32 2.15 -1.26 -4.95 116.67 123.00 3ky8 s ASP 35 Ca 0.52 1.80 0.13 0.00 0.43 0.00 0.00 52.55 55.44 3ky8 s ASP 35 Cb -0.35 -2.58 0.47 0.00 -0.30 0.00 0.00 42.92 40.17 3ky8 s ASP 35 CO 0.40 -0.25 1.38 0.35 -0.17 0.00 0.00 175.17 176.88 3ky8 n THR 36 N 3.49 2.33 0.00 1.71 -2.24 -1.26 -4.92 114.28 113.40 3ky8 n THR 36 Ca 0.05 -2.44 0.00 0.00 -2.27 0.00 0.00 64.05 59.39 3ky8 n THR 36 Cb 0.49 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3ky8 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ky8 n GLY 37 N -0.98 1.67 0.25 3.38 0.00 -1.26 -5.03 105.19 103.22 3ky8 n GLY 37 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 3ky8 n GLY 37 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ky8 h PHE 38 N 0.00 0.71 -0.01 1.61 3.57 -1.99 0.22 116.94 121.07 3ky8 h PHE 38 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3ky8 h PHE 38 Cb 0.00 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 3ky8 h PHE 38 CO 0.00 0.38 -0.00 0.28 -2.23 0.00 0.00 178.31 176.74 3ky8 h VAL 39 N 0.74 1.25 -0.52 1.41 2.07 -1.97 -2.76 116.25 116.47 3ky8 h VAL 39 Ca 0.27 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3ky8 h VAL 39 Cb 0.09 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3ky8 h VAL 39 CO -0.14 0.19 0.24 0.00 0.02 0.00 0.00 177.57 177.89 3ky8 h ALA 40 N 0.69 1.46 0.00 1.67 0.00 -1.97 -2.24 119.26 118.87 3ky8 h ALA 40 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ky8 h ALA 40 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ky8 h ALA 40 CO 0.00 0.43 0.00 -0.11 0.00 0.00 0.00 179.25 179.57 3ky8 n LEU 41 N -4.37 0.36 0.00 0.00 7.94 0.05 -1.93 117.00 119.05 3ky8 n LEU 41 Ca 0.04 -0.18 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 3ky8 n LEU 41 Cb 0.13 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3ky8 n LEU 41 CO 0.37 0.07 0.00 -0.62 -1.11 0.00 0.00 177.39 176.10 3ky8 n GLU 43 N 0.60 0.00 -0.08 1.96 1.02 -0.84 -1.70 120.64 121.60 3ky8 n GLU 43 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3ky8 n GLU 43 Cb 0.07 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.44 3ky8 n GLU 43 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3ky8 h ARG 44 N 0.00 0.51 -7.26 3.49 2.43 -1.66 -3.46 114.38 108.43 3ky8 h ARG 44 Ca 0.00 -0.23 -0.50 0.00 -0.81 0.00 0.00 59.98 58.43 3ky8 h ARG 44 Cb 0.00 -0.01 0.05 0.00 -0.42 0.00 0.00 29.97 29.59 3ky8 h ARG 44 CO 0.00 0.79 0.36 0.14 -1.51 0.00 0.00 179.97 179.75 3ky8 s VAL 45 N -4.53 4.72 -0.24 0.20 -7.23 -0.69 -4.90 120.40 107.73 3ky8 s VAL 45 Ca -0.13 0.81 0.22 0.00 -1.81 0.00 0.00 61.98 61.07 3ky8 s VAL 45 Cb 0.07 -3.85 -0.09 0.00 0.56 0.00 0.00 36.38 33.08 3ky8 s VAL 45 CO 0.78 -1.02 0.93 0.47 -0.31 0.00 0.00 175.10 175.94 3ky8 n ASP 46 N -2.47 0.63 -3.83 4.85 8.00 0.12 -5.00 116.55 118.85 3ky8 n ASP 46 Ca 0.05 0.19 0.04 0.00 0.71 0.00 0.00 54.79 55.79 3ky8 n ASP 46 Cb 0.54 0.82 0.01 0.00 -0.02 0.00 0.00 41.12 42.46 3ky8 n ASP 46 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ky8 s GLY 47 N -4.30 -0.32 0.05 0.44 0.00 -1.22 -4.30 107.32 97.67 3ky8 s GLY 47 Ca -0.01 0.46 0.07 0.00 0.00 0.00 0.00 44.72 45.23 3ky8 s GLY 47 CO 0.82 4.19 -0.15 1.08 0.00 0.00 0.00 173.10 179.03 3ky8 s LEU 48 N -3.58 2.78 0.00 0.66 1.02 0.00 -1.69 118.68 117.87 3ky8 s LEU 48 Ca 0.25 -0.38 0.05 0.00 0.02 0.00 0.00 54.13 54.08 3ky8 s LEU 48 Cb 0.03 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.59 3ky8 s LEU 48 CO -0.04 0.24 -0.16 -0.69 0.02 0.00 0.00 176.35 175.72 3ky8 s VAL 49 N -1.00 2.95 0.00 -1.59 1.01 -0.27 0.65 120.40 122.15 3ky8 s VAL 49 Ca 0.16 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3ky8 s VAL 49 Cb -0.11 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3ky8 s VAL 49 CO 0.07 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3ky8 n GLY 51 N 1.87 4.17 0.28 4.51 0.00 -1.26 -0.96 105.19 113.80 3ky8 n GLY 51 Ca -0.16 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 43.90 3ky8 n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ky8 h ARG 52 N 0.00 0.63 -0.47 1.61 3.08 -1.97 -2.49 114.38 114.76 3ky8 h ARG 52 Ca 0.00 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 3ky8 h ARG 52 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3ky8 h ARG 52 CO 0.00 0.60 -0.06 -0.91 -1.07 0.00 0.00 179.97 178.53 3ky8 h ASN 53 N 0.60 0.87 0.23 7.04 4.21 -1.99 -1.91 115.58 124.63 3ky8 h ASN 53 Ca 0.13 -0.34 -0.22 0.00 1.21 0.00 0.00 56.30 57.09 3ky8 h ASN 53 Cb 0.29 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3ky8 h ASN 53 CO 0.00 1.00 -0.87 0.74 -1.29 0.00 0.00 177.43 177.01 3ky8 h THR 54 N 0.72 1.37 0.49 2.81 2.02 -1.91 -3.27 112.91 115.13 3ky8 h THR 54 Ca 0.12 -2.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.00 3ky8 h THR 54 Cb 0.60 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 3ky8 h THR 54 CO 0.04 0.69 -0.40 0.25 0.37 0.00 0.00 175.52 176.46 3ky8 h LEU 55 N 0.29 -1.07 -1.66 2.58 5.85 -1.34 -0.80 115.31 119.15 3ky8 h LEU 55 Ca -0.07 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ky8 h LEU 55 Cb 1.49 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.87 3ky8 h LEU 55 CO 0.16 -0.58 0.00 0.47 -0.34 0.00 0.00 178.44 178.15 3ky8 n ASP 56 N -5.51 0.00 0.00 1.25 9.92 -0.73 -1.14 116.55 120.34 3ky8 n ASP 56 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 3ky8 n ASP 56 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 3ky8 n ASP 56 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3ky8 n VAL 58 N 0.67 0.00 0.04 2.53 0.31 -0.31 -0.64 118.33 120.94 3ky8 n VAL 58 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3ky8 n VAL 58 Cb 0.00 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.46 3ky8 n VAL 58 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ky8 h LEU 59 N 0.00 0.27 -1.87 7.52 3.38 -1.38 -1.69 115.31 121.54 3ky8 h LEU 59 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ky8 h LEU 59 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ky8 h LEU 59 CO 0.00 0.18 0.00 0.77 0.09 0.00 0.00 178.44 179.48 3ky8 h SER 60 N 0.31 0.00 0.93 -0.43 4.64 -1.13 -2.94 113.55 114.92 3ky8 h SER 60 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3ky8 h SER 60 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3ky8 h SER 60 CO -0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.42 3ky8 n PHE 61 N -2.96 0.52 -3.75 4.77 3.72 -0.64 -4.93 117.46 114.19 3ky8 n PHE 61 Ca -0.00 0.18 -0.32 0.00 -0.05 0.00 0.00 57.45 57.25 3ky8 n PHE 61 Cb 0.21 -0.79 0.03 0.00 -0.94 0.00 0.00 39.48 37.99 3ky8 n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3ky8 n ASP 62 N -1.95 -4.47 -3.69 4.37 2.03 -1.11 -4.97 116.55 106.75 3ky8 n ASP 62 Ca 0.04 -1.04 -0.16 0.00 0.52 0.00 0.00 54.79 54.16 3ky8 n ASP 62 Cb 0.29 -3.19 -0.08 0.00 -0.72 0.00 0.00 41.12 37.41 3ky8 n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ky8 s ASP 64 N -3.26 6.54 -0.27 0.00 1.01 -1.26 -4.87 116.67 114.55 3ky8 s ASP 64 Ca 0.38 2.89 -0.41 0.00 0.71 0.00 0.00 52.55 56.12 3ky8 s ASP 64 Cb 0.04 -2.66 -0.17 0.00 1.01 0.00 0.00 42.92 41.14 3ky8 s ASP 64 CO 0.20 -0.72 1.65 1.87 0.21 0.00 0.00 175.17 178.38 3ky8 n TRP 65 N 0.63 1.88 1.49 4.23 -0.00 -1.26 -4.84 117.44 119.58 3ky8 n TRP 65 Ca 0.01 0.68 0.14 0.00 -0.00 0.00 0.00 57.50 58.33 3ky8 n TRP 65 Cb 0.40 -2.39 0.57 0.00 -0.00 0.00 0.00 31.31 29.90 3ky8 n TRP 65 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3ky8 n PRO 66 N 4.65 1.18 -3.93 5.87 -0.04 -1.26 -4.88 135.00 136.59 3ky8 n PRO 66 Ca 0.26 -0.57 -0.35 0.00 -0.04 0.00 0.00 63.50 62.80 3ky8 n PRO 66 Cb 0.10 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 31.95 3ky8 n PRO 66 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ky8 s TYR 67 N -2.21 3.11 -1.09 0.54 2.02 -1.26 -4.96 117.35 113.49 3ky8 s TYR 67 Ca 0.34 -0.30 0.29 0.00 -0.37 0.00 0.00 57.07 57.03 3ky8 s TYR 67 Cb 0.21 -2.15 1.18 0.00 -0.40 0.00 0.00 41.96 40.79 3ky8 s TYR 67 CO 0.41 -0.19 1.87 -1.13 -1.57 0.00 0.00 175.55 174.95 3ky8 n SER 68 N 4.36 0.09 -4.40 2.29 3.41 -1.26 -4.88 113.62 113.23 3ky8 n SER 68 Ca -0.16 0.26 -0.22 0.00 -0.26 0.00 0.00 58.87 58.48 3ky8 n SER 68 Cb 0.52 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 3ky8 n SER 68 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ky8 s LYS 69 N -2.92 1.48 0.48 4.33 -0.14 -1.26 -5.12 119.74 116.59 3ky8 s LYS 69 Ca 0.16 -1.61 -0.24 0.00 -1.36 0.00 0.00 55.97 52.92 3ky8 s LYS 69 Cb 0.19 -1.52 -0.08 0.00 -1.68 0.00 0.00 37.83 34.75 3ky8 s LYS 69 CO 0.54 0.29 1.29 -2.30 -0.76 0.00 0.00 175.35 174.41 3ky8 n PRO 70 N -0.24 1.82 -3.99 -1.68 -0.02 -1.26 -4.74 135.00 124.89 3ky8 n PRO 70 Ca -0.09 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 3ky8 n PRO 70 Cb 0.59 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 3ky8 n PRO 70 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ky8 s VAL 71 N -1.25 2.84 -0.24 -1.45 1.01 -0.80 -0.82 120.40 119.69 3ky8 s VAL 71 Ca 0.65 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 3ky8 s VAL 71 Cb -0.46 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3ky8 s VAL 71 CO 0.54 0.40 0.37 -0.36 0.00 0.00 0.00 175.10 176.05 3ky8 s PHE 72 N 1.38 3.29 -0.33 5.22 0.08 0.21 -0.94 117.98 126.90 3ky8 s PHE 72 Ca 0.04 0.47 -0.14 0.00 0.12 0.00 0.00 56.93 57.42 3ky8 s PHE 72 Cb -0.15 -2.54 -0.02 0.00 -0.57 0.00 0.00 43.02 39.75 3ky8 s PHE 72 CO -0.07 -0.13 0.31 0.08 -0.10 0.00 0.00 175.22 175.31 3ky8 s VAL 73 N 1.75 5.22 -0.46 -0.44 1.01 0.57 -3.97 120.40 124.08 3ky8 s VAL 73 Ca 0.16 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 3ky8 s VAL 73 Cb -0.15 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3ky8 s VAL 73 CO 0.09 -0.01 1.23 -0.22 0.00 0.00 0.00 175.10 176.19 3ky8 s LEU 74 N 1.91 3.61 -0.21 3.92 0.20 -1.26 -0.89 118.68 125.96 3ky8 s LEU 74 Ca 0.10 0.56 -0.14 0.00 0.69 0.00 0.00 54.13 55.34 3ky8 s LEU 74 Cb -0.17 -3.53 0.06 0.00 -0.43 0.00 0.00 46.19 42.12 3ky8 s LEU 74 CO 0.11 -1.33 0.52 -0.55 -0.29 0.00 0.00 176.35 174.81 3ky8 s SER 75 N 2.98 -0.63 0.00 3.68 0.15 -0.73 -4.51 113.70 114.64 3ky8 s SER 75 Ca 0.52 1.11 0.22 0.00 0.70 0.00 0.00 55.95 58.50 3ky8 s SER 75 Cb -0.09 1.03 0.58 0.00 -1.71 0.00 0.00 66.02 65.83 3ky8 s SER 75 CO 0.32 -0.20 1.49 0.59 1.20 0.00 0.00 173.24 176.64 3ky8 n ASN 76 N 3.72 3.66 -2.94 5.45 3.02 -1.26 -4.28 115.26 122.62 3ky8 n ASN 76 Ca -0.19 -1.99 -0.28 0.00 -0.03 0.00 0.00 54.58 52.09 3ky8 n ASN 76 Cb 0.57 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3ky8 n ASN 76 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ky8 n THR 77 N 1.53 3.20 0.00 3.41 -2.24 -1.26 -5.07 114.28 113.85 3ky8 n THR 77 Ca 0.22 -5.55 0.00 0.00 -2.27 0.00 0.00 64.05 56.45 3ky8 n THR 77 Cb 0.59 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 3ky8 n THR 77 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ky8 n THR 79 N -0.26 0.00 -4.45 4.28 -2.24 -1.26 -5.22 114.28 105.14 3ky8 n THR 79 Ca 0.33 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.87 3ky8 n THR 79 Cb 0.40 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.50 3ky8 n THR 79 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ky8 s GLU 80 N -0.24 1.17 0.32 -0.78 -1.05 -1.26 -5.03 118.70 111.83 3ky8 s GLU 80 Ca 0.00 -0.96 -0.18 0.00 -0.15 0.00 0.00 54.97 53.68 3ky8 s GLU 80 Cb 0.00 -1.30 -0.09 0.00 -0.44 0.00 0.00 34.13 32.30 3ky8 s GLU 80 CO 0.00 0.32 0.79 0.08 0.95 0.00 0.00 175.26 177.40 3ky8 s VAL 81 N -0.94 4.56 0.29 1.83 1.01 -1.26 -5.02 120.40 120.87 3ky8 s VAL 81 Ca 0.05 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 3ky8 s VAL 81 Cb -0.09 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 3ky8 s VAL 81 CO 0.02 -0.10 1.40 -2.65 0.00 0.00 0.00 175.10 173.77 3ky8 n PRO 82 N -0.12 2.19 -1.67 2.72 -0.02 -1.26 -4.90 135.00 131.95 3ky8 n PRO 82 Ca 0.03 0.77 -0.44 0.00 -2.02 0.00 0.00 63.50 61.84 3ky8 n PRO 82 Cb 0.53 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 3ky8 n PRO 82 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3ky8 n GLN 83 N 1.48 1.97 0.00 -0.52 7.27 -1.26 -1.30 117.38 125.02 3ky8 n GLN 83 Ca 0.08 0.70 0.00 0.00 0.07 0.00 0.00 57.00 57.85 3ky8 n GLN 83 Cb 0.34 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.70 3ky8 n GLN 83 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ky8 n GLY 84 N 1.58 3.03 1.07 1.69 0.00 -1.26 -4.90 105.19 106.40 3ky8 n GLY 84 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 3ky8 n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ky8 n TYR 85 N -2.00 1.09 0.24 1.61 4.01 -0.42 -4.63 117.16 117.06 3ky8 n TYR 85 Ca 0.00 -0.76 0.10 0.00 -0.16 0.00 0.00 57.90 57.08 3ky8 n TYR 85 Cb 0.00 -0.29 0.61 0.00 -0.31 0.00 0.00 39.34 39.35 3ky8 n TYR 85 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3ky8 h GLU 86 N 2.41 0.00 -0.13 -0.72 3.07 -1.83 0.88 114.58 118.26 3ky8 h GLU 86 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ky8 h GLU 86 Cb 1.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 3ky8 h GLU 86 CO 0.23 0.18 0.00 -0.40 -1.40 0.00 0.00 179.01 177.62 3ky8 n ASP 87 N -3.73 2.24 0.00 1.42 5.75 -1.26 -4.54 116.55 116.43 3ky8 n ASP 87 Ca -0.02 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 3ky8 n ASP 87 Cb 0.30 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3ky8 n ASP 87 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ky8 n LYS 88 N 0.72 2.43 -4.20 0.11 5.02 -0.49 -4.99 118.16 116.76 3ky8 n LYS 88 Ca 0.17 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.26 3ky8 n LYS 88 Cb 0.45 -0.81 -0.16 0.00 -0.02 0.00 0.00 35.03 34.48 3ky8 n LYS 88 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ky8 s VAL 89 N -1.53 0.61 -0.02 -0.18 1.01 0.19 -1.91 120.40 118.56 3ky8 s VAL 89 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3ky8 s VAL 89 Cb 0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 3ky8 s VAL 89 CO 0.00 0.24 -0.11 -0.36 0.00 0.00 0.00 175.10 174.87 3ky8 s PHE 90 N 0.91 1.12 0.06 5.22 0.40 -0.11 -4.65 117.98 120.92 3ky8 s PHE 90 Ca -0.11 -0.27 -0.21 0.00 -0.60 0.00 0.00 56.93 55.74 3ky8 s PHE 90 Cb -0.14 -0.77 -0.06 0.00 0.51 0.00 0.00 43.02 42.56 3ky8 s PHE 90 CO 0.00 -0.09 0.62 -0.51 0.70 0.00 0.00 175.22 175.94 3ky8 s LEU 91 N 0.06 4.49 -0.07 -0.37 1.43 -1.26 -0.31 118.68 122.65 3ky8 s LEU 91 Ca -0.01 1.29 0.04 0.00 -1.03 0.00 0.00 54.13 54.41 3ky8 s LEU 91 Cb -0.08 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3ky8 s LEU 91 CO 0.01 0.19 -0.17 0.68 0.23 0.00 0.00 176.35 177.28 3ky8 s VAL 92 N -0.71 1.51 0.06 -1.59 -7.23 -0.07 -4.89 120.40 107.48 3ky8 s VAL 92 Ca 0.31 -0.72 0.08 0.00 -1.81 0.00 0.00 61.98 59.84 3ky8 s VAL 92 Cb -0.20 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 3ky8 s VAL 92 CO 0.20 0.44 -0.19 -1.59 -0.31 0.00 0.00 175.10 173.64 3ky8 s LYS 93 N 0.34 1.97 0.00 4.82 -2.85 -1.26 -1.78 119.74 120.99 3ky8 s LYS 93 Ca -0.12 -1.04 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 3ky8 s LYS 93 Cb -0.15 -2.15 0.00 0.00 -2.06 0.00 0.00 37.83 33.47 3ky8 s LYS 93 CO 0.05 0.52 0.00 0.41 0.10 0.00 0.00 175.35 176.43 3ky8 n GLY 94 N 1.39 -0.19 3.75 0.59 0.00 -1.26 -4.83 105.19 104.63 3ky8 n GLY 94 Ca -0.16 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 3ky8 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ky8 s LYS 95 N 0.00 4.42 0.13 1.61 1.02 -1.26 -4.89 119.74 120.77 3ky8 s LYS 95 Ca 0.00 2.05 -0.20 0.00 0.02 0.00 0.00 55.97 57.84 3ky8 s LYS 95 Cb 0.00 -3.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 3ky8 s LYS 95 CO 0.00 -0.17 1.71 -0.07 -0.92 0.00 0.00 175.35 175.90 3ky8 h LEU 96 N 4.71 -0.14 -1.55 3.17 3.38 -1.99 -0.27 115.31 122.62 3ky8 h LEU 96 Ca -0.46 0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.61 3ky8 h LEU 96 Cb 1.22 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 3ky8 h LEU 96 CO 0.73 -0.04 0.36 0.58 0.09 0.00 0.00 178.44 180.15 3ky8 h VAL 97 N 0.03 1.04 -0.06 1.22 2.07 -1.99 0.11 116.25 118.67 3ky8 h VAL 97 Ca 0.10 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3ky8 h VAL 97 Cb 0.14 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3ky8 h VAL 97 CO -0.20 0.10 -0.12 0.44 0.02 0.00 0.00 177.57 177.82 3ky8 h ASP 98 N 0.58 0.21 -0.29 0.57 3.32 -1.77 -1.87 116.42 117.16 3ky8 h ASP 98 Ca 0.22 -0.57 0.05 0.00 0.02 0.00 0.00 57.03 56.76 3ky8 h ASP 98 Cb 0.16 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3ky8 h ASP 98 CO -0.06 0.74 -0.03 0.40 -1.72 0.00 0.00 179.24 178.57 3ky8 h ILE 99 N -0.31 0.75 -0.83 0.35 2.04 -0.17 0.10 117.51 119.45 3ky8 h ILE 99 Ca 0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3ky8 h ILE 99 Cb 0.71 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3ky8 h ILE 99 CO 0.03 0.01 0.42 0.40 0.00 0.00 0.00 178.15 179.01 3ky8 h ILE 100 N 0.04 1.25 -0.36 -0.67 1.08 -0.87 -1.20 117.51 116.79 3ky8 h ILE 100 Ca 0.14 -0.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.91 3ky8 h ILE 100 Cb 0.20 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 3ky8 h ILE 100 CO -0.26 0.29 0.12 0.00 -0.69 0.00 0.00 178.15 177.61 3ky8 h ALA 101 N 1.29 0.47 0.19 1.87 0.00 -0.61 -0.43 119.26 122.04 3ky8 h ALA 101 Ca 0.29 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3ky8 h ALA 101 Cb 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3ky8 h ALA 101 CO -0.04 0.11 -0.36 0.22 0.00 0.00 0.00 179.25 179.18 3ky8 h ASP 102 N 0.43 -1.02 -0.06 0.00 3.58 -0.45 -1.61 116.42 117.30 3ky8 h ASP 102 Ca 0.12 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3ky8 h ASP 102 Cb 0.24 0.37 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 3ky8 h ASP 102 CO -0.00 -0.46 0.04 -0.07 -2.88 0.00 0.00 179.24 175.87 3ky8 h LEU 103 N -0.63 0.07 -0.61 2.28 3.38 -1.06 -2.09 115.31 116.65 3ky8 h LEU 103 Ca 0.01 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3ky8 h LEU 103 Cb 0.63 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 3ky8 h LEU 103 CO -0.17 0.07 0.27 0.78 0.09 0.00 0.00 178.44 179.49 3ky8 h ASN 104 N 0.06 0.34 -0.50 -0.43 -0.26 -0.85 0.62 115.58 114.56 3ky8 h ASN 104 Ca 0.02 0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.88 3ky8 h ASN 104 Cb 0.01 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.25 3ky8 h ASN 104 CO -0.00 0.21 0.34 0.00 -1.06 0.00 0.00 177.43 176.92 3ky8 h ALA 105 N 1.37 1.90 -0.21 -0.83 0.00 -0.85 0.17 119.26 120.82 3ky8 h ALA 105 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ky8 h ALA 105 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ky8 h ALA 105 CO -0.24 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.65 3ky8 n LYS 106 N -4.47 1.52 -0.36 0.00 5.02 -0.56 -4.89 118.16 114.41 3ky8 n LYS 106 Ca 0.07 -0.80 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 3ky8 n LYS 106 Cb 0.24 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3ky8 n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ky8 n GLY 107 N 0.88 0.75 3.42 0.72 0.00 0.61 -4.99 105.19 106.58 3ky8 n GLY 107 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3ky8 n GLY 107 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ky8 s PHE 108 N -2.37 3.47 -0.14 1.61 0.08 0.10 -4.77 117.98 115.96 3ky8 s PHE 108 Ca 0.00 -1.88 0.10 0.00 0.12 0.00 0.00 56.93 55.27 3ky8 s PHE 108 Cb 0.00 -4.17 -0.15 0.00 -0.57 0.00 0.00 43.02 38.12 3ky8 s PHE 108 CO 0.00 -1.32 0.01 0.09 -0.10 0.00 0.00 175.22 173.89 3ky8 n ASN 109 N 5.43 1.91 -4.28 1.36 5.03 -1.26 -2.68 115.26 120.76 3ky8 n ASN 109 Ca 0.27 -0.02 -0.36 0.00 0.87 0.00 0.00 54.58 55.34 3ky8 n ASN 109 Cb 0.46 0.60 -0.13 0.00 -1.02 0.00 0.00 39.78 39.69 3ky8 n ASN 109 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3ky8 s GLU 110 N -2.33 2.93 -0.05 3.52 2.02 -1.26 -0.82 118.70 122.72 3ky8 s GLU 110 Ca -0.10 -0.94 0.05 0.00 0.02 0.00 0.00 54.97 54.00 3ky8 s GLU 110 Cb 0.04 -3.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.05 3ky8 s GLU 110 CO 0.52 -0.45 -0.19 -0.51 0.02 0.00 0.00 175.26 174.65 3ky8 s LEU 111 N 1.42 1.95 -0.39 1.80 1.43 0.16 0.14 118.68 125.18 3ky8 s LEU 111 Ca 0.01 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.54 3ky8 s LEU 111 Cb -0.17 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.00 3ky8 s LEU 111 CO -0.00 0.17 0.53 -0.47 0.23 0.00 0.00 176.35 176.81 3ky8 s TYR 112 N -0.00 3.14 -0.24 0.29 5.04 -0.69 -0.42 117.35 124.47 3ky8 s TYR 112 Ca -0.04 -0.05 -0.14 0.00 -2.44 0.00 0.00 57.07 54.41 3ky8 s TYR 112 Cb -0.12 -3.03 -0.04 0.00 0.35 0.00 0.00 41.96 39.12 3ky8 s TYR 112 CO 0.03 -0.68 0.31 0.42 -1.34 0.00 0.00 175.55 174.29 3ky8 s ILE 113 N 2.44 5.24 0.10 3.14 -1.09 0.72 -1.11 121.20 130.64 3ky8 s ILE 113 Ca 0.18 0.47 0.03 0.00 -2.23 0.00 0.00 60.65 59.10 3ky8 s ILE 113 Cb -0.15 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 3ky8 s ILE 113 CO 0.15 0.24 -0.09 -0.62 -1.23 0.00 0.00 174.94 173.39 3ky8 s ASP 114 N 1.33 1.34 0.00 3.58 2.15 -0.13 -4.34 116.67 120.60 3ky8 s ASP 114 Ca 0.14 -0.87 0.00 0.00 0.43 0.00 0.00 52.55 52.25 3ky8 s ASP 114 Cb -0.15 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.50 3ky8 s ASP 114 CO 0.08 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 3ky8 n GLY 115 N 0.38 1.45 0.31 2.66 0.00 -1.26 -4.06 105.19 104.67 3ky8 n GLY 115 Ca -0.15 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 3ky8 n GLY 115 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ky8 h GLY 116 N 0.00 -0.16 1.13 -0.02 0.00 -1.87 0.24 103.07 102.40 3ky8 h GLY 116 Ca 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 47.33 47.56 3ky8 h GLY 116 CO 0.00 -0.21 -0.28 -2.08 0.00 0.00 0.00 176.54 173.97 3ky8 h VAL 117 N -0.23 1.27 0.00 4.60 2.07 -1.91 -1.27 116.25 120.79 3ky8 h VAL 117 Ca 0.18 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 3ky8 h VAL 117 Cb 0.51 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3ky8 h VAL 117 CO -0.52 0.49 -0.00 0.74 0.02 0.00 0.00 177.57 178.30 3ky8 h THR 118 N 0.82 1.23 -0.51 2.57 2.02 -1.72 -1.95 112.91 115.36 3ky8 h THR 118 Ca 0.09 -0.68 0.08 0.00 0.77 0.00 0.00 66.41 66.67 3ky8 h THR 118 Cb 0.86 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.90 3ky8 h THR 118 CO 0.08 0.18 0.16 0.40 0.37 0.00 0.00 175.52 176.70 3ky8 h ILE 119 N -0.29 0.79 -0.92 3.11 2.04 -0.45 -0.87 117.51 120.92 3ky8 h ILE 119 Ca -0.00 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.78 3ky8 h ILE 119 Cb 0.29 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3ky8 h ILE 119 CO 0.00 0.06 0.61 1.56 0.00 0.00 0.00 178.15 180.38 3ky8 h GLN 120 N 0.32 1.14 -0.19 2.37 4.20 -1.13 0.12 115.11 121.94 3ky8 h GLN 120 Ca 0.25 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.71 3ky8 h GLN 120 Cb 0.29 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3ky8 h GLN 120 CO -0.27 0.75 -0.60 -0.91 -0.67 0.00 0.00 178.83 177.13 3ky8 h ASN 121 N 1.17 0.71 -0.42 1.46 2.35 -0.49 -0.75 115.58 119.61 3ky8 h ASN 121 Ca 0.36 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3ky8 h ASN 121 Cb -0.01 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3ky8 h ASN 121 CO -0.11 1.14 0.17 -0.26 -1.65 0.00 0.00 177.43 176.72 3ky8 h PHE 122 N 0.47 0.64 -0.95 1.19 -1.00 -0.32 -2.96 116.94 114.00 3ky8 h PHE 122 Ca -0.00 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.74 3ky8 h PHE 122 Cb 1.17 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 3ky8 h PHE 122 CO 0.06 0.56 0.63 -0.07 -1.61 0.00 0.00 178.31 177.88 3ky8 h LEU 123 N 0.53 1.08 -2.20 1.54 3.38 -0.54 0.00 115.31 119.11 3ky8 h LEU 123 Ca 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ky8 h LEU 123 Cb 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ky8 h LEU 123 CO -0.01 0.77 -0.06 0.11 0.09 0.00 0.00 178.44 179.34 3ky8 h LYS 124 N 1.27 0.00 -0.42 1.13 1.57 -0.99 -1.15 116.57 117.98 3ky8 h LYS 124 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3ky8 h LYS 124 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3ky8 h LYS 124 CO -0.09 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.24 3ky8 n GLU 125 N -3.59 3.10 -3.88 3.15 1.02 -0.75 -4.98 120.64 114.70 3ky8 n GLU 125 Ca -0.02 -2.50 -0.27 0.00 -0.02 0.00 0.00 57.16 54.35 3ky8 n GLU 125 Cb 0.17 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 30.01 3ky8 n GLU 125 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3ky8 n ASP 126 N 0.47 -2.56 -1.23 1.62 2.03 -0.44 -4.91 116.55 111.53 3ky8 n ASP 126 Ca 0.18 -0.86 0.09 0.00 0.52 0.00 0.00 54.79 54.73 3ky8 n ASP 126 Cb 0.67 -3.67 0.29 0.00 -0.72 0.00 0.00 41.12 37.69 3ky8 n ASP 126 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3ky8 n LEU 127 N -4.46 4.02 -4.65 -2.67 4.77 -0.12 -4.93 117.00 108.95 3ky8 n LEU 127 Ca -0.14 -2.26 -0.35 0.00 -0.03 0.00 0.00 56.01 53.23 3ky8 n LEU 127 Cb 0.60 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 3ky8 n LEU 127 CO 0.74 0.84 -0.22 -0.63 -1.33 0.00 0.00 177.39 176.79 3ky8 s ILE 128 N -1.48 5.03 -0.20 -0.08 -1.09 -1.26 -4.58 121.20 117.55 3ky8 s ILE 128 Ca 0.43 0.06 0.07 0.00 -2.23 0.00 0.00 60.65 58.98 3ky8 s ILE 128 Cb 0.26 -3.30 -0.17 0.00 -1.58 0.00 0.00 42.46 37.67 3ky8 s ILE 128 CO 0.24 0.42 -0.09 0.47 -1.23 0.00 0.00 174.94 174.75 3ky8 n ASP 129 N 3.79 1.66 -1.16 3.58 8.00 -0.52 -4.66 116.55 127.23 3ky8 n ASP 129 Ca -0.16 -0.07 -0.01 0.00 0.71 0.00 0.00 54.79 55.26 3ky8 n ASP 129 Cb 0.52 0.17 -0.00 0.00 -0.02 0.00 0.00 41.12 41.78 3ky8 n ASP 129 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ky8 n GLU 130 N -2.94 0.10 -3.15 -1.24 1.02 -1.01 -0.84 120.64 112.58 3ky8 n GLU 130 Ca -0.35 -0.18 0.04 0.00 -0.02 0.00 0.00 57.16 56.65 3ky8 n GLU 130 Cb 0.98 0.15 -0.01 0.00 -0.02 0.00 0.00 31.44 32.54 3ky8 n GLU 130 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ky8 s VAL 132 N -2.04 -0.83 -0.22 2.62 1.01 0.37 -1.17 120.40 120.14 3ky8 s VAL 132 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 3ky8 s VAL 132 Cb 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3ky8 s VAL 132 CO 0.01 0.00 0.06 -0.63 0.00 0.00 0.00 175.10 174.54 3ky8 s ILE 133 N 2.87 4.44 -0.36 2.22 1.01 -0.37 -2.11 121.20 128.91 3ky8 s ILE 133 Ca 0.15 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 3ky8 s ILE 133 Cb -0.11 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.34 3ky8 s ILE 133 CO -0.22 0.39 0.20 -0.89 0.00 0.00 0.00 174.94 174.43 3ky8 s THR 134 N 1.10 4.67 -0.22 2.92 2.01 -0.65 -1.35 115.64 124.11 3ky8 s THR 134 Ca 0.04 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 3ky8 s THR 134 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3ky8 s THR 134 CO 0.03 -0.16 0.09 -0.60 -0.69 0.00 0.00 174.62 173.29 3ky8 s ARG 135 N 1.59 3.87 0.13 4.92 3.52 0.45 -0.88 118.95 132.55 3ky8 s ARG 135 Ca 0.03 -0.38 -0.14 0.00 -0.13 0.00 0.00 55.73 55.11 3ky8 s ARG 135 Cb -0.19 -3.34 -0.07 0.00 -1.56 0.00 0.00 34.95 29.80 3ky8 s ARG 135 CO 0.07 0.04 0.52 -0.06 -0.81 0.00 0.00 175.30 175.06 3ky8 s PHE 136 N 1.04 3.61 -0.80 5.12 0.40 -0.00 -2.21 117.98 125.15 3ky8 s PHE 136 Ca 0.05 1.03 -0.07 0.00 -0.60 0.00 0.00 56.93 57.33 3ky8 s PHE 136 Cb -0.14 -2.34 -0.13 0.00 0.51 0.00 0.00 43.02 40.91 3ky8 s PHE 136 CO 0.03 0.45 3.18 -0.35 0.70 0.00 0.00 175.22 179.24 3ky8 n PRO 137 N 0.89 2.94 -3.74 0.24 -0.04 -1.26 -1.99 135.00 132.04 3ky8 n PRO 137 Ca -0.06 -1.82 -0.15 0.00 -0.04 0.00 0.00 63.50 61.43 3ky8 n PRO 137 Cb 0.52 -2.38 -0.16 0.00 -0.04 0.00 0.00 33.50 31.44 3ky8 n PRO 137 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3ky8 s ILE 138 N 0.97 -0.08 -0.37 0.52 2.07 -1.26 -4.96 121.20 118.10 3ky8 s ILE 138 Ca 0.66 0.24 -0.24 0.00 -1.41 0.00 0.00 60.65 59.90 3ky8 s ILE 138 Cb 0.26 -0.15 0.01 0.00 0.13 0.00 0.00 42.46 42.71 3ky8 s ILE 138 CO -0.05 0.10 0.83 -0.76 -1.91 0.00 0.00 174.94 173.15 3ky8 s LEU 139 N 1.31 4.09 0.17 8.50 1.43 -1.26 -1.48 118.68 131.45 3ky8 s LEU 139 Ca -0.07 0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.53 3ky8 s LEU 139 Cb -0.12 -3.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 3ky8 s LEU 139 CO -0.04 -0.78 1.35 -0.07 0.23 0.00 0.00 176.35 177.03 3ky8 h LEU 140 N 9.87 0.00 0.41 1.79 3.38 -1.96 -3.48 115.31 125.32 3ky8 h LEU 140 Ca -0.24 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.55 3ky8 h LEU 140 Cb 1.09 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 3ky8 h LEU 140 CO 0.94 0.85 -0.16 0.61 0.09 0.00 0.00 178.44 180.77 3ky8 n GLY 141 N 1.23 1.02 0.00 0.83 0.00 -1.26 -4.83 105.19 102.18 3ky8 n GLY 141 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3ky8 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ky8 n GLY 142 N -1.52 3.10 0.00 -0.02 0.00 -1.26 -5.02 105.19 100.46 3ky8 n GLY 142 Ca -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3ky8 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ky8 n GLY 143 N -0.95 0.93 3.56 -0.02 0.00 -1.26 -3.23 105.19 104.22 3ky8 n GLY 143 Ca 0.00 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 3ky8 n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ky8 s VAL 144 N -3.19 4.96 0.49 1.61 1.01 -0.80 -4.87 120.40 119.61 3ky8 s VAL 144 Ca 0.00 0.46 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 3ky8 s VAL 144 Cb 0.00 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 3ky8 s VAL 144 CO 0.00 -0.25 1.13 -2.84 0.00 0.00 0.00 175.10 173.14 3ky8 s PRO 145 N 2.52 3.64 0.06 2.72 0.02 -1.26 -0.36 135.00 142.34 3ky8 s PRO 145 Ca 0.21 1.66 -0.20 0.00 0.02 0.00 0.00 61.00 62.69 3ky8 s PRO 145 Cb -0.15 -2.24 -0.12 0.00 0.02 0.00 0.00 34.50 32.01 3ky8 s PRO 145 CO 0.14 -0.62 1.45 1.25 -0.33 0.00 0.00 177.00 178.88 3ky8 h LEU 146 N 1.72 0.33 -9.59 -5.54 5.85 -1.51 -3.43 115.31 103.14 3ky8 h LEU 146 Ca -0.50 -0.36 -0.58 0.00 0.84 0.00 0.00 57.88 57.28 3ky8 h LEU 146 Cb 1.25 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 42.09 3ky8 h LEU 146 CO 0.59 0.62 -0.63 -0.36 -0.34 0.00 0.00 178.44 178.32 3ky8 s PHE 147 N -4.76 2.90 0.00 1.25 0.08 -1.26 -4.65 117.98 111.53 3ky8 s PHE 147 Ca -0.14 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.78 3ky8 s PHE 147 Cb 0.06 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 3ky8 s PHE 147 CO 0.73 0.53 0.00 0.41 -0.10 0.00 0.00 175.22 176.80 3ky8 n GLY 148 N -0.36 5.48 3.85 4.36 0.00 -1.26 -5.13 105.19 112.14 3ky8 n GLY 148 Ca -0.09 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 3ky8 n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ky8 s GLU 149 N 4.31 3.92 0.07 1.61 2.02 -1.26 -5.09 118.70 124.28 3ky8 s GLU 149 Ca 0.00 0.44 0.04 0.00 0.02 0.00 0.00 54.97 55.47 3ky8 s GLU 149 Cb 0.00 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 3ky8 s GLU 149 CO 0.00 0.39 -0.13 -0.51 0.02 0.00 0.00 175.26 175.03 3ky8 s LEU 150 N -2.37 2.27 0.40 1.80 1.43 -1.26 -4.85 118.68 116.11 3ky8 s LEU 150 Ca 0.43 -0.61 0.22 0.00 -1.03 0.00 0.00 54.13 53.15 3ky8 s LEU 150 Cb -0.13 -0.44 0.28 0.00 0.03 0.00 0.00 46.19 45.93 3ky8 s LEU 150 CO 0.20 -0.11 1.53 -0.33 0.23 0.00 0.00 176.35 177.87 3ky8 h GLU 151 N 4.32 0.00 -3.32 1.70 4.39 -1.97 -3.46 114.58 116.24 3ky8 h GLU 151 Ca -0.40 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.24 3ky8 h GLU 151 Cb 1.19 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.70 3ky8 h GLU 151 CO 0.40 0.04 -0.11 -1.54 -1.16 0.00 0.00 179.01 176.64 3ky8 s SER 152 N -6.14 -0.22 0.68 1.42 1.04 -1.26 -5.17 113.70 104.06 3ky8 s SER 152 Ca 0.06 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.10 3ky8 s SER 152 Cb 0.06 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.63 3ky8 s SER 152 CO 0.69 -0.78 1.11 -0.94 0.98 0.00 0.00 173.24 174.30 3ky8 s SER 153 N -2.55 4.98 -0.10 7.02 1.04 -1.26 -5.06 113.70 117.77 3ky8 s SER 153 Ca 0.00 1.97 0.02 0.00 0.48 0.00 0.00 55.95 58.43 3ky8 s SER 153 Cb 0.01 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.60 3ky8 s SER 153 CO -0.09 -1.72 -0.16 -0.76 0.98 0.00 0.00 173.24 171.49 3ky8 s LEU 154 N -5.06 1.79 0.01 2.42 1.43 -1.26 -5.14 118.68 112.87 3ky8 s LEU 154 Ca 0.66 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.28 3ky8 s LEU 154 Cb -0.20 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 3ky8 s LEU 154 CO 0.44 0.05 0.23 -0.44 0.23 0.00 0.00 176.35 176.86 3ky8 s SER 155 N 0.80 6.43 0.29 2.29 0.01 -1.26 -5.07 113.70 117.19 3ky8 s SER 155 Ca -0.10 0.45 0.03 0.00 1.31 0.00 0.00 55.95 57.63 3ky8 s SER 155 Cb -0.16 -2.04 -0.06 0.00 0.21 0.00 0.00 66.02 63.97 3ky8 s SER 155 CO 0.01 0.24 0.06 -0.36 0.41 0.00 0.00 173.24 173.60 3ky8 s PHE 156 N -1.35 1.77 -0.08 2.43 0.40 -1.26 -1.74 117.98 118.14 3ky8 s PHE 156 Ca 0.29 -1.03 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 3ky8 s PHE 156 Cb -0.13 -1.10 -0.02 0.00 0.51 0.00 0.00 43.02 42.28 3ky8 s PHE 156 CO 0.19 -0.12 -0.11 -0.80 0.70 0.00 0.00 175.22 175.08 3ky8 s ASN 157 N -3.40 4.26 -0.35 1.36 0.01 0.79 -4.75 114.94 112.85 3ky8 s ASN 157 Ca 0.36 -0.17 -0.29 0.00 -0.71 0.00 0.00 52.86 52.05 3ky8 s ASN 157 Cb 0.08 -1.17 0.01 0.00 0.41 0.00 0.00 41.25 40.58 3ky8 s ASN 157 CO 0.14 0.30 1.34 -0.69 -1.51 0.00 0.00 177.10 176.68 3ky8 s VAL 158 N -0.45 4.04 0.05 1.60 1.01 -1.26 -1.17 120.40 124.23 3ky8 s VAL 158 Ca 0.06 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.23 3ky8 s VAL 158 Cb -0.12 -4.19 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 3ky8 s VAL 158 CO 0.02 -0.60 1.01 0.40 0.00 0.00 0.00 175.10 175.92 3ky8 h ILE 159 N 6.17 1.34 -1.49 2.22 1.08 -1.05 -3.48 117.51 122.29 3ky8 h ILE 159 Ca -0.27 -3.07 0.09 0.00 -0.39 0.00 0.00 64.86 61.22 3ky8 h ILE 159 Cb 1.10 2.71 -0.27 0.00 -3.07 0.00 0.00 36.82 37.28 3ky8 h ILE 159 CO 1.06 0.80 0.55 -0.75 -0.69 0.00 0.00 178.15 179.11 3ky8 s LYS 160 N -2.66 0.42 -0.00 2.37 2.20 -1.22 -5.00 119.74 115.85 3ky8 s LYS 160 Ca -0.03 0.45 -0.00 0.00 -0.36 0.00 0.00 55.97 56.03 3ky8 s LYS 160 Cb 0.09 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 3ky8 s LYS 160 CO 0.83 -0.06 0.00 0.45 -0.36 0.00 0.00 175.35 176.21 3ky8 s SER 161 N 0.04 0.01 0.13 1.43 0.15 -1.26 -0.87 113.70 113.33 3ky8 s SER 161 Ca 0.04 0.01 -0.18 0.00 0.70 0.00 0.00 55.95 56.52 3ky8 s SER 161 Cb -0.05 -0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.30 3ky8 s SER 161 CO -0.07 -0.01 0.44 -1.83 1.20 0.00 0.00 173.24 172.96 3ky8 s GLU 162 N 0.11 1.10 -0.09 5.44 -1.05 -0.56 -4.97 118.70 118.68 3ky8 s GLU 162 Ca -0.01 -0.64 -0.24 0.00 -0.15 0.00 0.00 54.97 53.93 3ky8 s GLU 162 Cb -0.01 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.13 3ky8 s GLU 162 CO -0.00 -0.44 0.72 0.08 0.95 0.00 0.00 175.26 176.57 3ky8 s VAL 163 N -3.73 5.01 0.03 1.83 1.01 -1.26 0.30 120.40 123.60 3ky8 s VAL 163 Ca 0.02 1.46 0.09 0.00 0.00 0.00 0.00 61.98 63.55 3ky8 s VAL 163 Cb 0.01 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3ky8 s VAL 163 CO -0.12 0.20 -0.26 0.68 0.00 0.00 0.00 175.10 175.60 3ky8 s VAL 164 N 1.14 2.08 -1.41 2.92 -7.23 0.12 -4.71 120.40 113.31 3ky8 s VAL 164 Ca 0.37 -1.30 -0.09 0.00 -1.81 0.00 0.00 61.98 59.15 3ky8 s VAL 164 Cb -0.17 -1.77 0.06 0.00 0.56 0.00 0.00 36.38 35.06 3ky8 s VAL 164 CO 0.17 0.42 0.64 0.18 -0.31 0.00 0.00 175.10 176.19 3ky8 n LEU 165 N 1.97 -2.08 0.00 1.32 4.77 -1.26 -1.38 117.00 120.34 3ky8 n LEU 165 Ca -0.17 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3ky8 n LEU 165 Cb 0.52 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 3ky8 n LEU 165 CO 0.23 0.25 0.00 0.47 -1.33 0.00 0.00 177.39 177.01 3ky8 n ASP 166 N -2.48 0.00 -0.08 -1.43 8.00 -1.26 -4.36 116.55 114.94 3ky8 n ASP 166 Ca -0.02 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.50 3ky8 n ASP 166 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 3ky8 n ASP 166 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ky8 n SER 167 N 0.44 0.70 -4.78 -2.24 3.41 -1.21 -5.00 113.62 104.94 3ky8 n SER 167 Ca 0.00 -0.85 -0.34 0.00 -0.26 0.00 0.00 58.87 57.42 3ky8 n SER 167 Cb 0.00 0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 3ky8 n SER 167 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ky8 s LEU 168 N -1.45 3.91 -0.09 1.04 1.43 -0.48 -4.24 118.68 118.81 3ky8 s LEU 168 Ca 0.03 0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 3ky8 s LEU 168 Cb 0.04 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3ky8 s LEU 168 CO 0.13 0.30 0.10 0.42 0.23 0.00 0.00 176.35 177.52 3ky8 s THR 169 N -1.14 5.08 -0.18 5.49 -4.23 -0.94 0.15 115.64 119.87 3ky8 s THR 169 Ca 0.21 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.71 3ky8 s THR 169 Cb -0.12 -3.21 0.04 0.00 1.34 0.00 0.00 72.50 70.55 3ky8 s THR 169 CO 0.12 0.57 -0.05 -1.58 -0.54 0.00 0.00 174.62 173.13 3ky8 s GLN 170 N -1.11 1.49 -0.05 3.99 0.74 0.15 -0.42 119.66 124.45 3ky8 s GLN 170 Ca 0.16 -0.59 0.06 0.00 0.05 0.00 0.00 55.36 55.04 3ky8 s GLN 170 Cb -0.12 -2.11 -0.01 0.00 1.10 0.00 0.00 33.01 31.87 3ky8 s GLN 170 CO 0.05 -0.45 -0.25 0.99 -0.55 0.00 0.00 175.29 175.08 3ky8 s THR 171 N 1.59 2.10 -0.26 -0.34 2.01 -0.46 -1.50 115.64 118.80 3ky8 s THR 171 Ca -0.00 -1.06 -0.07 0.00 0.31 0.00 0.00 61.69 60.87 3ky8 s THR 171 Cb -0.16 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 3ky8 s THR 171 CO -0.08 0.57 0.06 -0.89 -0.69 0.00 0.00 174.62 173.59 3ky8 s THR 172 N -0.24 4.06 -0.14 -0.82 2.01 -0.04 -1.23 115.64 119.23 3ky8 s THR 172 Ca -0.01 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 3ky8 s THR 172 Cb -0.13 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 3ky8 s THR 172 CO 0.03 0.28 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.86 3ky8 s TYR 173 N 1.56 2.95 -0.06 4.92 2.02 -1.26 -0.34 117.35 127.14 3ky8 s TYR 173 Ca 0.05 -0.36 -0.00 0.00 -0.37 0.00 0.00 57.07 56.39 3ky8 s TYR 173 Cb -0.16 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 3ky8 s TYR 173 CO 0.02 -0.04 -0.03 -1.01 -1.57 0.00 0.00 175.55 172.92 3ky8 s HIS 174 N 0.21 3.05 0.22 2.71 3.76 -0.31 -4.34 115.29 120.59 3ky8 s HIS 174 Ca -0.04 0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.67 3ky8 s HIS 174 Cb -0.14 -1.73 -0.10 0.00 1.11 0.00 0.00 32.58 31.72 3ky8 s HIS 174 CO 0.04 0.41 1.44 0.50 -0.85 0.00 0.00 174.74 176.28 3ky8 s ARG 175 N -0.98 4.28 -0.62 1.40 6.06 -0.02 -0.15 118.95 128.92 3ky8 s ARG 175 Ca 0.14 2.26 -0.28 0.00 -2.50 0.00 0.00 55.73 55.35 3ky8 s ARG 175 Cb -0.11 -3.14 0.03 0.00 0.06 0.00 0.00 34.95 31.78 3ky8 s ARG 175 CO 0.03 -0.43 1.27 0.21 -2.50 0.00 0.00 175.30 173.88 3ky8 s LYS 176 N 0.06 3.37 0.00 5.12 2.20 -0.71 -4.81 119.74 124.98 3ky8 s LYS 176 Ca 0.61 0.16 0.27 0.00 -0.36 0.00 0.00 55.97 56.65 3ky8 s LYS 176 Cb -0.41 -4.09 0.85 0.00 -1.51 0.00 0.00 37.83 32.68 3ky8 s LYS 176 CO 0.39 -1.87 1.63 0.54 -0.36 0.00 0.00 175.35 175.68