#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ktl s ILE 1 N 0.00 1.41 -0.06 1.12 -1.09 -1.26 -5.16 121.20 116.17 1ktl s ILE 1 Ca 0.00 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 1ktl s ILE 1 Cb 0.00 -1.21 0.01 0.00 -1.58 0.00 0.00 42.46 39.68 1ktl s ILE 1 CO 0.00 0.41 -0.12 -1.10 -1.23 0.00 0.00 174.94 172.90 1ktl s GLN 2 N 0.04 1.57 -0.13 2.79 -0.21 -1.26 -4.55 119.66 117.91 1ktl s GLN 2 Ca -0.04 -0.40 0.02 0.00 0.02 0.00 0.00 55.36 54.97 1ktl s GLN 2 Cb -0.11 -1.33 0.01 0.00 1.00 0.00 0.00 33.01 32.58 1ktl s GLN 2 CO 0.02 0.05 -0.18 1.03 -2.12 0.00 0.00 175.29 174.09 1ktl s ARG 3 N 0.59 2.57 0.39 2.91 0.52 -0.28 -4.94 118.95 120.71 1ktl s ARG 3 Ca -0.12 -0.69 -0.25 0.00 -0.52 0.00 0.00 55.73 54.15 1ktl s ARG 3 Cb -0.15 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 33.09 1ktl s ARG 3 CO 0.03 -0.06 1.08 0.99 0.02 0.00 0.00 175.30 177.36 1ktl s THR 4 N 0.95 3.58 0.28 0.02 2.01 -1.26 -1.55 115.64 119.67 1ktl s THR 4 Ca -0.06 1.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.92 1ktl s THR 4 Cb -0.15 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 1ktl s THR 4 CO -0.03 0.07 1.27 -2.16 -0.69 0.00 0.00 174.62 173.08 1ktl s PRO 5 N -2.33 4.42 -0.17 4.92 0.04 -1.26 -4.35 135.00 136.27 1ktl s PRO 5 Ca 0.56 2.09 -0.11 0.00 0.04 0.00 0.00 61.00 63.58 1ktl s PRO 5 Cb -0.25 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1ktl s PRO 5 CO 0.31 -0.14 0.19 0.15 0.04 0.00 0.00 177.00 177.56 1ktl s LYS 6 N -1.14 4.07 0.12 4.56 1.02 0.05 -4.91 119.74 123.52 1ktl s LYS 6 Ca 0.51 -0.08 0.09 0.00 0.02 0.00 0.00 55.97 56.51 1ktl s LYS 6 Cb -0.37 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1ktl s LYS 6 CO 0.46 0.38 -0.19 0.42 -0.92 0.00 0.00 175.35 175.49 1ktl s ILE 7 N 0.10 2.75 -0.18 2.17 1.01 -1.26 -1.29 121.20 124.50 1ktl s ILE 7 Ca 0.12 -1.57 -0.06 0.00 0.00 0.00 0.00 60.65 59.14 1ktl s ILE 7 Cb -0.12 -2.26 0.08 0.00 0.01 0.00 0.00 42.46 40.17 1ktl s ILE 7 CO 0.01 0.08 0.38 -1.10 0.00 0.00 0.00 174.94 174.32 1ktl s GLN 8 N -2.18 0.28 -0.11 2.79 -0.21 -0.89 -4.95 119.66 114.39 1ktl s GLN 8 Ca 0.18 0.96 -0.03 0.00 0.02 0.00 0.00 55.36 56.48 1ktl s GLN 8 Cb -0.10 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.11 1ktl s GLN 8 CO 0.10 -0.26 0.02 0.08 -2.12 0.00 0.00 175.29 173.11 1ktl s VAL 9 N 2.52 4.47 -0.16 1.09 1.01 -1.25 -0.73 120.40 127.34 1ktl s VAL 9 Ca -0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 61.98 61.46 1ktl s VAL 9 Cb -0.12 -2.92 0.14 0.00 0.00 0.00 0.00 36.38 33.48 1ktl s VAL 9 CO -0.12 0.57 1.14 -0.72 0.00 0.00 0.00 175.10 175.98 1ktl s TYR 10 N -0.57 -0.18 0.50 5.22 1.13 0.56 -4.67 117.35 119.34 1ktl s TYR 10 Ca 0.10 0.16 -0.03 0.00 -1.41 0.00 0.00 57.07 55.89 1ktl s TYR 10 Cb -0.12 0.51 -0.00 0.00 -1.10 0.00 0.00 41.96 41.25 1ktl s TYR 10 CO 0.02 -0.26 0.77 -1.54 -2.51 0.00 0.00 175.55 172.03 1ktl s SER 11 N -2.00 5.82 0.09 -0.18 1.04 -1.26 -0.99 113.70 116.22 1ktl s SER 11 Ca 0.07 0.54 -0.18 0.00 0.48 0.00 0.00 55.95 56.87 1ktl s SER 11 Cb -0.01 -1.72 -0.07 0.00 0.10 0.00 0.00 66.02 64.32 1ktl s SER 11 CO -0.05 -0.80 1.52 -0.09 0.98 0.00 0.00 173.24 174.80 1ktl h ARG 12 N 0.17 0.49 -6.35 4.02 9.65 -0.50 -3.46 114.38 118.40 1ktl h ARG 12 Ca -0.46 -0.16 -0.62 0.00 -1.10 0.00 0.00 59.98 57.64 1ktl h ARG 12 Cb 1.25 -0.04 -0.15 0.00 -1.39 0.00 0.00 29.97 29.63 1ktl h ARG 12 CO 0.59 0.65 -0.77 -1.01 2.80 0.00 0.00 179.97 182.23 1ktl s HIS 13 N -4.97 2.34 0.33 2.20 3.76 -1.26 -5.04 115.29 112.64 1ktl s HIS 13 Ca -0.13 -0.33 -0.29 0.00 -0.15 0.00 0.00 55.06 54.16 1ktl s HIS 13 Cb 0.08 -1.06 -0.11 0.00 1.11 0.00 0.00 32.58 32.59 1ktl s HIS 13 CO 0.76 0.63 1.55 -2.14 -0.85 0.00 0.00 174.74 174.69 1ktl s PRO 14 N -3.22 4.12 -0.19 8.40 0.02 -1.26 -4.79 135.00 138.06 1ktl s PRO 14 Ca 0.27 2.57 -0.39 0.00 0.02 0.00 0.00 61.00 63.48 1ktl s PRO 14 Cb -0.06 -3.00 -0.15 0.00 0.02 0.00 0.00 34.50 31.31 1ktl s PRO 14 CO 0.14 -0.59 1.71 0.00 -0.33 0.00 0.00 177.00 177.93 1ktl n ALA 15 N 1.45 -0.11 -3.63 -1.55 0.00 -1.26 -4.95 120.51 110.46 1ktl n ALA 15 Ca 0.05 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.59 1ktl n ALA 15 Cb 0.38 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.46 1ktl n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ktl s GLU 16 N 3.16 1.23 0.01 0.00 2.56 -1.26 -5.07 118.70 119.32 1ktl s GLU 16 Ca 0.95 -2.07 -0.15 0.00 0.00 0.00 0.00 54.97 53.70 1ktl s GLU 16 Cb -0.99 -2.11 -0.08 0.00 2.00 0.00 0.00 34.13 32.95 1ktl s GLU 16 CO 0.61 -1.23 0.41 0.09 -0.56 0.00 0.00 175.26 174.57 1ktl n ASN 17 N 3.30 -0.04 0.00 -1.70 3.02 -1.26 0.40 115.26 118.97 1ktl n ASN 17 Ca 0.15 0.46 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1ktl n ASN 17 Cb 0.38 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1ktl n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ktl n GLY 18 N 0.61 2.68 3.65 7.41 0.00 -1.02 -4.96 105.19 113.56 1ktl n GLY 18 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ktl n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ktl s LYS 19 N 0.00 4.19 0.73 1.61 0.00 1.32 -5.01 119.74 122.57 1ktl s LYS 19 Ca 0.00 0.68 -0.17 0.00 0.00 0.00 0.00 55.97 56.48 1ktl s LYS 19 Cb 0.00 -3.60 -0.09 0.00 0.00 0.00 0.00 37.83 34.14 1ktl s LYS 19 CO 0.00 -0.33 0.08 0.45 0.00 0.00 0.00 175.35 175.56 1ktl n SER 20 N 5.35 -2.86 0.00 0.03 2.88 -1.26 -4.40 113.62 113.36 1ktl n SER 20 Ca 0.00 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1ktl n SER 20 Cb 0.49 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1ktl n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ktl n ASN 21 N 1.15 0.00 -3.70 -3.46 2.85 0.40 -4.91 115.26 107.59 1ktl n ASN 21 Ca 0.07 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.40 1ktl n ASN 21 Cb 0.51 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.39 1ktl n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ktl s PHE 22 N -2.58 -0.32 0.07 1.20 0.08 -1.26 -1.83 117.98 113.34 1ktl s PHE 22 Ca 0.00 0.80 -0.16 0.00 0.12 0.00 0.00 56.93 57.68 1ktl s PHE 22 Cb 0.00 -0.04 -0.06 0.00 -0.57 0.00 0.00 43.02 42.34 1ktl s PHE 22 CO 0.00 -0.27 0.51 -1.17 -0.10 0.00 0.00 175.22 174.19 1ktl s LEU 23 N 1.81 4.45 -0.02 -0.37 2.96 0.21 0.30 118.68 128.02 1ktl s LEU 23 Ca -0.04 1.10 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1ktl s LEU 23 Cb -0.11 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.66 1ktl s LEU 23 CO -0.08 0.23 -0.10 0.20 -1.32 0.00 0.00 176.35 175.29 1ktl s ASN 24 N -1.31 1.28 -0.15 3.68 0.01 -0.16 -2.17 114.94 116.12 1ktl s ASN 24 Ca 0.30 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.27 1ktl s ASN 24 Cb -0.17 -0.32 0.01 0.00 0.41 0.00 0.00 41.25 41.19 1ktl s ASN 24 CO 0.17 0.08 -0.21 0.00 -1.51 0.00 0.00 177.10 175.64 1ktl s TYR 26 N 0.93 2.81 -0.12 0.00 5.04 0.09 -0.28 117.35 125.82 1ktl s TYR 26 Ca -0.04 -1.95 -0.04 0.00 -2.44 0.00 0.00 57.07 52.60 1ktl s TYR 26 Cb -0.15 -1.77 -0.03 0.00 0.35 0.00 0.00 41.96 40.35 1ktl s TYR 26 CO -0.04 -0.81 0.01 0.14 -1.34 0.00 0.00 175.55 173.50 1ktl s VAL 27 N 1.26 4.37 0.25 3.14 -7.23 -0.67 -2.09 120.40 119.43 1ktl s VAL 27 Ca -0.05 -0.21 -0.10 0.00 -1.81 0.00 0.00 61.98 59.81 1ktl s VAL 27 Cb -0.18 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.87 1ktl s VAL 27 CO -0.07 0.55 0.43 -0.94 -0.31 0.00 0.00 175.10 174.76 1ktl s SER 28 N -0.36 0.07 -1.77 4.85 1.04 -0.41 -1.19 113.70 115.93 1ktl s SER 28 Ca 0.07 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1ktl s SER 28 Cb -0.12 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1ktl s SER 28 CO 0.02 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1ktl n GLY 29 N -0.39 0.01 3.77 7.32 0.00 0.01 -0.77 105.19 115.13 1ktl n GLY 29 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1ktl n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ktl s PHE 30 N -2.92 3.11 -0.26 1.61 -0.71 -1.17 -4.28 117.98 113.36 1ktl s PHE 30 Ca 0.00 -0.01 -0.14 0.00 -1.04 0.00 0.00 56.93 55.74 1ktl s PHE 30 Cb 0.00 -1.52 0.08 0.00 -1.21 0.00 0.00 43.02 40.37 1ktl s PHE 30 CO 0.00 0.52 0.63 -1.58 -1.34 0.00 0.00 175.22 173.45 1ktl s HIS 31 N -1.65 -1.01 0.74 3.49 2.46 -0.59 -1.03 115.29 117.69 1ktl s HIS 31 Ca 0.30 2.00 -0.09 0.00 0.47 0.00 0.00 55.06 57.74 1ktl s HIS 31 Cb -0.10 0.58 0.07 0.00 -0.13 0.00 0.00 32.58 32.99 1ktl s HIS 31 CO 0.22 -0.51 1.08 -1.25 -2.47 0.00 0.00 174.74 171.81 1ktl s PRO 32 N 1.76 2.15 0.00 2.88 0.04 -1.26 -1.12 135.00 139.45 1ktl s PRO 32 Ca -0.09 -0.08 0.01 0.00 0.04 0.00 0.00 61.00 60.87 1ktl s PRO 32 Cb -0.07 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.44 1ktl s PRO 32 CO -0.18 -1.36 0.63 -1.13 0.04 0.00 0.00 177.00 175.00 1ktl n SER 33 N -3.07 0.00 -4.68 6.66 3.41 -1.26 -4.72 113.62 109.96 1ktl n SER 33 Ca 0.08 0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.32 1ktl n SER 33 Cb 0.60 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1ktl n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ktl s ASP 34 N -2.16 7.18 -0.12 4.04 1.01 -1.26 -4.99 116.67 120.36 1ktl s ASP 34 Ca 0.01 1.45 -0.17 0.00 0.71 0.00 0.00 52.55 54.55 1ktl s ASP 34 Cb 0.01 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.44 1ktl s ASP 34 CO 0.01 -0.46 0.44 -0.51 0.21 0.00 0.00 175.17 174.86 1ktl s ILE 35 N 2.17 0.01 -0.19 0.77 2.07 -1.26 -4.71 121.20 120.05 1ktl s ILE 35 Ca 0.46 -0.11 -0.03 0.00 -1.41 0.00 0.00 60.65 59.56 1ktl s ILE 35 Cb -0.18 -0.66 -0.01 0.00 0.13 0.00 0.00 42.46 41.74 1ktl s ILE 35 CO 0.15 -0.06 -0.05 -1.61 -1.91 0.00 0.00 174.94 171.46 1ktl s GLU 36 N -0.25 3.44 -0.07 3.50 2.02 -0.60 -4.93 118.70 121.82 1ktl s GLU 36 Ca -0.04 -0.61 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 1ktl s GLU 36 Cb -0.03 -2.94 0.03 0.00 0.10 0.00 0.00 34.13 31.28 1ktl s GLU 36 CO 0.02 -0.05 -0.02 0.08 0.02 0.00 0.00 175.26 175.32 1ktl s VAL 37 N 1.10 0.48 -0.05 2.63 1.01 -1.26 0.15 120.40 124.46 1ktl s VAL 37 Ca 0.01 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1ktl s VAL 37 Cb -0.15 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1ktl s VAL 37 CO -0.00 0.26 -0.20 -1.81 0.00 0.00 0.00 175.10 173.34 1ktl s ASP 38 N 1.64 2.49 -0.17 3.32 1.01 0.21 -4.96 116.67 120.21 1ktl s ASP 38 Ca 0.00 -0.41 -0.18 0.00 0.71 0.00 0.00 52.55 52.67 1ktl s ASP 38 Cb -0.13 -0.67 -0.04 0.00 1.01 0.00 0.00 42.92 43.10 1ktl s ASP 38 CO -0.04 0.19 0.49 -0.76 0.21 0.00 0.00 175.17 175.26 1ktl s LEU 39 N -0.06 4.20 -0.06 1.23 1.43 -1.26 0.14 118.68 124.30 1ktl s LEU 39 Ca -0.03 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1ktl s LEU 39 Cb -0.12 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 1ktl s LEU 39 CO 0.03 -0.10 -0.08 -0.76 0.23 0.00 0.00 176.35 175.66 1ktl s LEU 40 N 1.22 3.09 -0.42 1.79 1.43 0.58 -1.15 118.68 125.22 1ktl s LEU 40 Ca 0.24 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1ktl s LEU 40 Cb -0.15 -1.67 0.12 0.00 0.03 0.00 0.00 46.19 44.52 1ktl s LEU 40 CO 0.10 0.36 0.18 -0.75 0.23 0.00 0.00 176.35 176.47 1ktl s LYS 41 N -0.81 1.48 -0.91 1.70 2.20 0.13 -1.20 119.74 122.33 1ktl s LYS 41 Ca 0.12 -2.05 -0.00 0.00 -0.36 0.00 0.00 55.97 53.68 1ktl s LYS 41 Cb -0.11 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1ktl s LYS 41 CO 0.01 -1.07 0.76 0.09 -0.36 0.00 0.00 175.35 174.79 1ktl n ASN 42 N 3.75 -2.37 0.00 1.43 5.03 0.75 -1.91 115.26 121.93 1ktl n ASN 42 Ca 0.05 -0.48 0.00 0.00 0.87 0.00 0.00 54.58 55.01 1ktl n ASN 42 Cb 0.36 -4.06 0.00 0.00 -1.02 0.00 0.00 39.78 35.06 1ktl n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ktl n GLY 43 N -1.12 2.46 3.82 7.41 0.00 -1.26 -5.01 105.19 111.49 1ktl n GLY 43 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1ktl n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ktl s GLU 44 N 0.00 4.04 -0.24 1.61 2.12 -0.80 -4.98 118.70 120.45 1ktl s GLU 44 Ca 0.00 1.10 -0.19 0.00 0.36 0.00 0.00 54.97 56.24 1ktl s GLU 44 Cb 0.00 -2.15 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 1ktl s GLU 44 CO 0.00 -0.19 0.56 -0.98 -0.54 0.00 0.00 175.26 174.11 1ktl s ARG 45 N -3.52 4.12 0.08 4.30 1.70 -1.26 0.20 118.95 124.58 1ktl s ARG 45 Ca 0.62 0.44 -0.31 0.00 -0.47 0.00 0.00 55.73 56.01 1ktl s ARG 45 Cb -0.11 -3.62 -0.08 0.00 -0.57 0.00 0.00 34.95 30.57 1ktl s ARG 45 CO 0.21 -0.31 1.62 0.42 -1.08 0.00 0.00 175.30 176.16 1ktl s ILE 46 N 2.17 3.00 0.82 4.99 1.01 -0.30 -4.94 121.20 127.95 1ktl s ILE 46 Ca 0.24 0.52 -0.07 0.00 0.00 0.00 0.00 60.65 61.34 1ktl s ILE 46 Cb -0.16 -3.33 0.15 0.00 0.01 0.00 0.00 42.46 39.14 1ktl s ILE 46 CO 0.09 0.01 1.13 -1.61 0.00 0.00 0.00 174.94 174.55 1ktl s GLU 47 N 2.33 1.28 -1.52 2.79 2.02 -1.26 -4.43 118.70 119.91 1ktl s GLU 47 Ca 0.73 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 1ktl s GLU 47 Cb -0.40 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 31.70 1ktl s GLU 47 CO 0.32 -1.82 0.16 1.63 0.02 0.00 0.00 175.26 175.56 1ktl n LYS 48 N -3.21 -2.61 -1.55 1.61 4.01 -1.26 -4.99 118.16 110.17 1ktl n LYS 48 Ca 0.15 0.85 -0.29 0.00 -0.51 0.00 0.00 58.31 58.51 1ktl n LYS 48 Cb 0.60 -5.55 0.13 0.00 -0.51 0.00 0.00 35.03 29.70 1ktl n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1ktl s VAL 49 N -2.96 2.13 0.19 -0.18 1.01 -1.26 -4.95 120.40 114.38 1ktl s VAL 49 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1ktl s VAL 49 Cb -0.04 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1ktl s VAL 49 CO 0.11 -0.06 0.06 -1.61 0.00 0.00 0.00 175.10 173.61 1ktl s GLU 50 N -5.27 1.17 0.33 2.72 2.02 -0.53 -4.97 118.70 114.16 1ktl s GLU 50 Ca 0.63 -1.59 -0.05 0.00 0.02 0.00 0.00 54.97 53.98 1ktl s GLU 50 Cb -0.15 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1ktl s GLU 50 CO 0.53 -0.25 0.49 -3.38 0.02 0.00 0.00 175.26 172.67 1ktl s HIS 51 N -3.87 0.87 0.69 1.61 -3.43 -1.25 -0.76 115.29 109.14 1ktl s HIS 51 Ca 0.31 -1.16 0.02 0.00 -0.80 0.00 0.00 55.06 53.43 1ktl s HIS 51 Cb 0.07 0.03 0.12 0.00 -1.43 0.00 0.00 32.58 31.37 1ktl s HIS 51 CO 0.08 -1.13 0.94 -1.54 -2.00 0.00 0.00 174.74 171.09 1ktl s SER 52 N -3.18 4.52 -0.14 7.38 1.04 -0.87 -4.95 113.70 117.50 1ktl s SER 52 Ca 0.28 -0.53 -0.28 0.00 0.48 0.00 0.00 55.95 55.91 1ktl s SER 52 Cb -0.01 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1ktl s SER 52 CO 0.17 -1.74 0.94 -1.81 0.98 0.00 0.00 173.24 171.78 1ktl s ASP 53 N -4.73 7.12 0.02 7.02 1.01 -1.26 -4.80 116.67 121.05 1ktl s ASP 53 Ca 0.65 1.38 -0.39 0.00 0.71 0.00 0.00 52.55 54.90 1ktl s ASP 53 Cb -0.05 -2.52 -0.19 0.00 1.01 0.00 0.00 42.92 41.17 1ktl s ASP 53 CO 0.43 -0.45 1.16 -0.11 0.21 0.00 0.00 175.17 176.40 1ktl n LEU 54 N 5.24 0.50 -3.85 1.23 7.94 -1.26 -4.96 117.00 121.83 1ktl n LEU 54 Ca 0.07 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 56.02 1ktl n LEU 54 Cb 0.48 -1.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.35 1ktl n LEU 54 CO 0.51 -1.64 -0.10 -0.55 -1.11 0.00 0.00 177.39 174.49 1ktl s SER 55 N 0.17 0.07 0.39 1.96 0.15 -1.22 -5.05 113.70 110.17 1ktl s SER 55 Ca 0.89 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 57.11 1ktl s SER 55 Cb -1.18 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 63.39 1ktl s SER 55 CO 0.54 -0.61 0.06 0.72 1.20 0.00 0.00 173.24 175.15 1ktl s PHE 56 N -2.99 2.00 0.00 3.44 -0.12 -1.26 -0.13 117.98 118.93 1ktl s PHE 56 Ca -0.02 -0.99 0.00 0.00 -0.05 0.00 0.00 56.93 55.88 1ktl s PHE 56 Cb 0.01 -1.39 0.00 0.00 -0.63 0.00 0.00 43.02 41.01 1ktl s PHE 56 CO -0.06 0.05 0.00 -1.13 -0.05 0.00 0.00 175.22 174.02 1ktl n SER 57 N -0.98 1.44 0.26 1.98 3.41 0.17 -4.91 113.62 114.99 1ktl n SER 57 Ca -0.06 -0.87 0.09 0.00 -0.26 0.00 0.00 58.87 57.77 1ktl n SER 57 Cb 0.66 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 65.29 1ktl n SER 57 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ktl h LYS 58 N 0.00 0.00 -0.76 4.33 3.64 -2.02 -1.43 116.57 120.32 1ktl h LYS 58 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1ktl h LYS 58 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1ktl h LYS 58 CO 0.00 0.02 0.10 -0.40 -2.27 0.00 0.00 179.45 176.90 1ktl n ASP 59 N -4.38 4.25 0.00 4.20 5.75 -1.26 -4.88 116.55 120.23 1ktl n ASP 59 Ca -0.03 -2.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.97 1ktl n ASP 59 Cb 0.10 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1ktl n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ktl n TRP 60 N 0.21 0.00 -2.25 2.11 7.02 -0.54 -4.97 117.44 119.02 1ktl n TRP 60 Ca 0.25 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.40 1ktl n TRP 60 Cb 1.03 -1.75 -0.01 0.00 -2.42 0.00 0.00 31.31 28.16 1ktl n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1ktl s SER 61 N -2.02 6.05 0.29 -0.99 1.04 -1.26 -4.62 113.70 112.20 1ktl s SER 61 Ca 0.00 1.84 0.03 0.00 0.48 0.00 0.00 55.95 58.30 1ktl s SER 61 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1ktl s SER 61 CO 0.00 -0.98 0.45 -0.36 0.98 0.00 0.00 173.24 173.33 1ktl s PHE 62 N -2.29 3.45 -0.03 5.02 0.08 -0.20 0.41 117.98 124.42 1ktl s PHE 62 Ca 0.65 0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.70 1ktl s PHE 62 Cb -0.16 -1.74 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 1ktl s PHE 62 CO 0.30 0.27 0.27 1.52 -0.10 0.00 0.00 175.22 177.48 1ktl s TYR 63 N -2.14 -0.16 0.03 0.36 -0.85 0.82 -0.81 117.35 114.60 1ktl s TYR 63 Ca 0.37 0.27 -0.13 0.00 -0.52 0.00 0.00 57.07 57.06 1ktl s TYR 63 Cb -0.09 0.07 0.02 0.00 0.38 0.00 0.00 41.96 42.33 1ktl s TYR 63 CO 0.32 -0.33 0.28 -0.51 -1.52 0.00 0.00 175.55 173.80 1ktl s LEU 64 N -1.08 0.98 -0.16 -3.49 1.43 -0.33 -3.37 118.68 112.66 1ktl s LEU 64 Ca -0.11 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1ktl s LEU 64 Cb -0.05 1.25 0.02 0.00 0.03 0.00 0.00 46.19 47.43 1ktl s LEU 64 CO 0.03 -0.56 -0.18 -0.22 0.23 0.00 0.00 176.35 175.65 1ktl s LEU 65 N -1.88 1.94 -0.12 1.79 2.96 -1.26 -1.67 118.68 120.45 1ktl s LEU 65 Ca -0.07 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.23 1ktl s LEU 65 Cb -0.02 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 1ktl s LEU 65 CO -0.01 -0.00 0.05 -0.31 -1.32 0.00 0.00 176.35 174.75 1ktl s TYR 66 N 1.25 3.28 0.19 5.38 1.51 0.62 -2.04 117.35 127.54 1ktl s TYR 66 Ca 0.02 0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 56.11 1ktl s TYR 66 Cb -0.14 -1.89 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 1ktl s TYR 66 CO -0.09 0.46 0.60 1.52 -1.11 0.00 0.00 175.55 176.92 1ktl s TYR 67 N -0.64 -0.38 0.07 2.71 1.13 0.06 -0.02 117.35 120.28 1ktl s TYR 67 Ca 0.11 0.09 -0.22 0.00 -1.41 0.00 0.00 57.07 55.64 1ktl s TYR 67 Cb -0.12 0.54 0.05 0.00 -1.10 0.00 0.00 41.96 41.34 1ktl s TYR 67 CO 0.02 -0.93 0.53 -0.08 -2.51 0.00 0.00 175.55 172.59 1ktl s THR 68 N -3.81 0.03 0.08 -3.49 -1.32 -0.92 -1.46 115.64 104.75 1ktl s THR 68 Ca 0.04 -0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.00 1ktl s THR 68 Cb -0.02 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.92 1ktl s THR 68 CO -0.07 -0.12 1.10 -0.70 -2.21 0.00 0.00 174.62 172.61 1ktl s GLU 69 N -2.72 4.53 0.25 7.08 2.12 -1.26 0.67 118.70 129.37 1ktl s GLU 69 Ca -0.04 1.65 -0.14 0.00 0.36 0.00 0.00 54.97 56.80 1ktl s GLU 69 Cb -0.00 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1ktl s GLU 69 CO -0.04 -0.08 0.52 -0.59 -0.54 0.00 0.00 175.26 174.53 1ktl s PHE 70 N 0.61 0.28 -0.41 5.30 -0.71 -0.76 -4.85 117.98 117.44 1ktl s PHE 70 Ca 0.54 -0.66 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 1ktl s PHE 70 Cb -0.27 0.28 0.12 0.00 -1.21 0.00 0.00 43.02 41.94 1ktl s PHE 70 CO 0.31 -1.04 0.18 0.99 -1.34 0.00 0.00 175.22 174.31 1ktl s THR 71 N -3.98 1.70 0.72 -4.49 2.01 -1.26 -0.45 115.64 109.88 1ktl s THR 71 Ca 0.21 -2.42 -0.17 0.00 0.31 0.00 0.00 61.69 59.61 1ktl s THR 71 Cb -0.02 -2.22 -0.13 0.00 0.01 0.00 0.00 72.50 70.15 1ktl s THR 71 CO 0.09 -0.77 -0.24 -0.81 -0.69 0.00 0.00 174.62 172.20 1ktl n PRO 72 N 3.87 0.05 -3.79 4.92 -0.04 -1.26 -4.71 135.00 134.04 1ktl n PRO 72 Ca 0.05 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1ktl n PRO 72 Cb 0.37 -1.16 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1ktl n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ktl s THR 73 N -1.99 0.11 0.25 0.52 2.01 -1.26 -2.43 115.64 112.85 1ktl s THR 73 Ca 0.53 -0.88 0.15 0.00 0.31 0.00 0.00 61.69 61.79 1ktl s THR 73 Cb -0.36 -1.11 0.07 0.00 0.01 0.00 0.00 72.50 71.11 1ktl s THR 73 CO 0.70 -0.49 1.71 -0.08 -0.69 0.00 0.00 174.62 175.77 1ktl h GLU 74 N 2.97 0.00 0.00 4.92 4.81 -1.98 -3.34 114.58 121.97 1ktl h GLU 74 Ca -0.33 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1ktl h GLU 74 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1ktl h GLU 74 CO 0.50 0.47 -0.00 -0.22 -0.73 0.00 0.00 179.01 179.03 1ktl h LYS 75 N 0.00 -0.01 -6.33 1.92 3.11 -2.01 -3.47 116.57 109.79 1ktl h LYS 75 Ca -0.00 0.00 -0.64 0.00 -2.81 0.00 0.00 60.65 57.19 1ktl h LYS 75 Cb 0.93 0.00 0.04 0.00 -1.00 0.00 0.00 32.23 32.20 1ktl h LYS 75 CO 0.06 0.67 0.80 -0.25 -2.81 0.00 0.00 179.45 177.92 1ktl n ASP 76 N -4.67 2.68 -4.64 4.20 8.00 -1.25 -5.00 116.55 115.86 1ktl n ASP 76 Ca -0.07 1.07 -0.38 0.00 0.71 0.00 0.00 54.79 56.11 1ktl n ASP 76 Cb 0.33 -1.30 -0.08 0.00 -0.02 0.00 0.00 41.12 40.04 1ktl n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ktl s GLU 77 N 1.98 4.10 0.09 -1.24 0.41 -1.26 -4.66 118.70 118.12 1ktl s GLU 77 Ca 0.87 0.11 0.10 0.00 -0.41 0.00 0.00 54.97 55.64 1ktl s GLU 77 Cb -0.82 -3.59 -0.03 0.00 -1.78 0.00 0.00 34.13 27.90 1ktl s GLU 77 CO 0.48 -0.15 -0.27 0.71 -0.49 0.00 0.00 175.26 175.55 1ktl s TYR 78 N 1.66 2.32 0.36 1.61 2.02 -1.26 -0.18 117.35 123.88 1ktl s TYR 78 Ca 0.17 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 1ktl s TYR 78 Cb -0.15 -1.32 0.04 0.00 -0.40 0.00 0.00 41.96 40.13 1ktl s TYR 78 CO 0.09 0.24 0.69 0.00 -1.57 0.00 0.00 175.55 174.99 1ktl s ALA 79 N -0.95 -0.39 -0.03 3.71 0.00 -0.34 0.24 121.76 124.01 1ktl s ALA 79 Ca 0.13 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1ktl s ALA 79 Cb -0.10 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1ktl s ALA 79 CO 0.04 -0.94 -0.17 0.00 0.00 0.00 0.00 175.76 174.70 1ktl s ARG 81 N -0.21 2.49 -0.02 0.00 3.52 0.38 -1.80 118.95 123.32 1ktl s ARG 81 Ca 0.02 -0.74 0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1ktl s ARG 81 Cb -0.09 -1.97 -0.01 0.00 -1.56 0.00 0.00 34.95 31.33 1ktl s ARG 81 CO 0.00 0.18 -0.16 0.08 -0.81 0.00 0.00 175.30 174.59 1ktl s VAL 82 N 0.31 1.31 0.04 7.11 1.01 0.01 0.68 120.40 130.85 1ktl s VAL 82 Ca -0.14 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1ktl s VAL 82 Cb -0.16 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1ktl s VAL 82 CO 0.06 0.37 -0.21 0.21 0.00 0.00 0.00 175.10 175.53 1ktl s ASN 83 N -0.30 2.54 -0.17 3.32 3.84 0.40 -1.80 114.94 122.77 1ktl s ASN 83 Ca 0.04 -0.51 -0.29 0.00 0.21 0.00 0.00 52.86 52.32 1ktl s ASN 83 Cb -0.07 -0.22 0.11 0.00 -0.55 0.00 0.00 41.25 40.52 1ktl s ASN 83 CO -0.00 0.18 0.93 -2.28 -2.79 0.00 0.00 177.10 173.14 1ktl s HIS 84 N -0.76 -0.47 0.27 0.43 5.65 -1.26 -1.56 115.29 117.59 1ktl s HIS 84 Ca 0.08 0.91 -0.08 0.00 0.25 0.00 0.00 55.06 56.21 1ktl s HIS 84 Cb -0.09 0.41 0.44 0.00 -1.18 0.00 0.00 32.58 32.16 1ktl s HIS 84 CO 0.01 -0.37 1.58 -0.24 -0.65 0.00 0.00 174.74 175.07 1ktl h VAL 85 N 2.94 0.09 0.00 0.89 3.04 -1.93 2.25 116.25 123.52 1ktl h VAL 85 Ca -0.23 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1ktl h VAL 85 Cb 1.16 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1ktl h VAL 85 CO 0.27 0.00 0.01 0.35 -1.01 0.00 0.00 177.57 177.19 1ktl n THR 86 N -5.56 1.35 -3.70 3.17 -2.24 -1.26 -4.55 114.28 101.49 1ktl n THR 86 Ca 0.15 0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.89 1ktl n THR 86 Cb 0.48 -1.34 -0.12 0.00 -2.10 0.00 0.00 70.33 67.25 1ktl n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ktl s LEU 87 N -2.67 4.53 0.24 3.22 1.43 0.76 -4.98 118.68 121.21 1ktl s LEU 87 Ca 0.00 -1.17 -0.10 0.00 -1.03 0.00 0.00 54.13 51.83 1ktl s LEU 87 Cb 0.00 -1.92 0.36 0.00 0.03 0.00 0.00 46.19 44.66 1ktl s LEU 87 CO 0.00 -0.37 1.42 -1.54 0.23 0.00 0.00 176.35 176.10 1ktl n SER 88 N 4.86 -0.42 -4.05 2.29 3.41 -1.26 -4.56 113.62 113.89 1ktl n SER 88 Ca -0.12 1.58 -0.10 0.00 -0.26 0.00 0.00 58.87 59.98 1ktl n SER 88 Cb 0.45 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1ktl n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ktl s GLN 89 N -6.06 1.05 0.59 4.33 -2.07 -1.26 -5.11 119.66 111.13 1ktl s GLN 89 Ca -0.13 -1.30 -0.19 0.00 -1.82 0.00 0.00 55.36 51.91 1ktl s GLN 89 Cb 0.23 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.42 1ktl s GLN 89 CO 0.69 -0.35 1.12 -0.35 -1.32 0.00 0.00 175.29 175.09 1ktl n PRO 90 N -0.16 1.14 -4.09 9.60 -0.04 -1.26 -4.91 135.00 135.28 1ktl n PRO 90 Ca -0.06 0.43 -0.35 0.00 -0.04 0.00 0.00 63.50 63.48 1ktl n PRO 90 Cb 0.63 -2.32 -0.07 0.00 -0.04 0.00 0.00 33.50 31.70 1ktl n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ktl s LYS 91 N -2.87 3.22 -0.11 0.54 2.20 -0.75 -4.91 119.74 117.06 1ktl s LYS 91 Ca 0.76 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1ktl s LYS 91 Cb -0.42 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1ktl s LYS 91 CO 0.47 0.73 -0.10 0.42 -0.36 0.00 0.00 175.35 176.50 1ktl s ILE 92 N -1.02 1.21 -0.15 5.43 1.01 -1.26 -0.81 121.20 125.60 1ktl s ILE 92 Ca 0.16 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1ktl s ILE 92 Cb -0.12 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.20 1ktl s ILE 92 CO 0.06 0.39 -0.21 0.68 0.00 0.00 0.00 174.94 175.86 1ktl s VAL 93 N 1.44 2.06 0.39 2.92 -7.23 -0.74 -4.96 120.40 114.27 1ktl s VAL 93 Ca 0.01 -0.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.96 1ktl s VAL 93 Cb -0.13 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 34.89 1ktl s VAL 93 CO -0.06 0.55 1.10 -0.54 -0.31 0.00 0.00 175.10 175.83 1ktl s LYS 94 N 0.96 4.17 0.32 4.82 1.02 -1.26 -0.80 119.74 128.97 1ktl s LYS 94 Ca -0.03 1.66 -0.28 0.00 0.02 0.00 0.00 55.97 57.34 1ktl s LYS 94 Cb -0.15 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.41 1ktl s LYS 94 CO -0.05 -0.17 1.08 -0.46 -0.92 0.00 0.00 175.35 174.83 1ktl s TRP 95 N -1.51 3.48 -0.41 3.18 -0.00 0.66 -4.84 118.94 119.50 1ktl s TRP 95 Ca 0.56 1.69 0.01 0.00 -0.00 0.00 0.00 56.10 58.36 1ktl s TRP 95 Cb -0.26 -3.24 0.14 0.00 -0.00 0.00 0.00 33.47 30.10 1ktl s TRP 95 CO 0.33 -0.58 0.23 0.34 -0.00 0.00 0.00 176.95 177.27 1ktl s ASP 96 N -1.09 3.44 0.41 5.86 -1.08 -1.26 -4.69 116.67 118.27 1ktl s ASP 96 Ca 0.49 -2.47 0.04 0.00 -0.52 0.00 0.00 52.55 50.08 1ktl s ASP 96 Cb -0.29 -0.83 0.13 0.00 -1.46 0.00 0.00 42.92 40.47 1ktl s ASP 96 CO 0.37 -0.28 0.68 -2.11 0.52 0.00 0.00 175.17 174.35 1ktl n ARG 97 N 3.72 0.02 -0.12 4.34 1.85 -1.26 0.10 116.66 125.31 1ktl n ARG 97 Ca 0.09 0.62 0.02 0.00 -1.00 0.00 0.00 57.85 57.58 1ktl n ARG 97 Cb 0.35 -1.64 0.07 0.00 -1.05 0.00 0.00 32.46 30.19 1ktl n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ktl n ASP 98 N -1.95 1.32 0.00 2.89 8.00 -1.26 -4.68 116.55 120.87 1ktl n ASP 98 Ca 0.03 -2.09 0.00 0.00 0.71 0.00 0.00 54.79 53.45 1ktl n ASP 98 Cb 0.72 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1ktl n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04