#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 3.33 0.01 1.12 -1.09 -1.26 -5.12 121.20 118.20 1ktl s ILE 1 Ca 0.00 -0.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.63 1ktl s ILE 1 Cb 0.00 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 1ktl s ILE 1 CO 0.00 0.45 -0.10 -1.10 -1.23 0.00 0.00 174.94 172.96 1ktl s GLN 2 N -1.20 0.75 -0.04 2.79 -0.21 -1.26 -4.45 119.66 116.04 1ktl s GLN 2 Ca 0.15 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 55.04 1ktl s GLN 2 Cb -0.11 -0.70 0.01 0.00 1.00 0.00 0.00 33.01 33.21 1ktl s GLN 2 CO 0.05 0.18 -0.09 1.03 -2.12 0.00 0.00 175.29 174.34 1ktl s ARG 3 N -0.68 1.08 0.35 2.91 0.52 0.15 -4.90 118.95 118.38 1ktl s ARG 3 Ca 0.01 -0.29 -0.21 0.00 -0.52 0.00 0.00 55.73 54.71 1ktl s ARG 3 Cb -0.06 -0.99 -0.10 0.00 0.52 0.00 0.00 34.95 34.32 1ktl s ARG 3 CO 0.00 0.06 0.89 0.99 0.02 0.00 0.00 175.30 177.26 1ktl s THR 4 N 0.41 4.40 0.43 0.02 2.01 -1.26 -2.40 115.64 119.25 1ktl s THR 4 Ca -0.07 1.48 -0.25 0.00 0.31 0.00 0.00 61.69 63.16 1ktl s THR 4 Cb -0.11 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 1ktl s THR 4 CO 0.01 -0.09 1.28 -2.16 -0.69 0.00 0.00 174.62 172.97 1ktl s PRO 5 N -2.66 3.86 -0.11 4.92 0.04 -1.26 -4.38 135.00 135.41 1ktl s PRO 5 Ca 0.55 2.09 -0.04 0.00 0.04 0.00 0.00 61.00 63.64 1ktl s PRO 5 Cb -0.13 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 1ktl s PRO 5 CO 0.18 -0.56 0.03 0.15 0.04 0.00 0.00 177.00 176.84 1ktl s LYS 6 N -2.38 3.28 0.10 4.56 1.02 -0.17 -4.93 119.74 121.23 1ktl s LYS 6 Ca 0.59 -0.35 0.10 0.00 0.02 0.00 0.00 55.97 56.33 1ktl s LYS 6 Cb -0.36 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1ktl s LYS 6 CO 0.46 0.61 -0.26 0.42 -0.92 0.00 0.00 175.35 175.66 1ktl s ILE 7 N -0.61 2.26 -0.18 2.17 1.01 -1.26 -1.83 121.20 122.76 1ktl s ILE 7 Ca 0.11 -1.62 -0.05 0.00 0.00 0.00 0.00 60.65 59.09 1ktl s ILE 7 Cb -0.12 -1.96 0.09 0.00 0.01 0.00 0.00 42.46 40.48 1ktl s ILE 7 CO 0.02 0.19 0.34 -1.10 0.00 0.00 0.00 174.94 174.39 1ktl s GLN 8 N -1.78 0.26 -0.17 2.79 -0.21 -1.05 -4.96 119.66 114.53 1ktl s GLN 8 Ca 0.13 0.77 -0.08 0.00 0.02 0.00 0.00 55.36 56.21 1ktl s GLN 8 Cb -0.10 -0.07 -0.04 0.00 1.00 0.00 0.00 33.01 33.79 1ktl s GLN 8 CO 0.05 -0.37 0.10 0.08 -2.12 0.00 0.00 175.29 173.03 1ktl s VAL 9 N 2.51 5.17 -0.25 1.09 1.01 -1.26 -0.90 120.40 127.77 1ktl s VAL 9 Ca 0.03 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 1ktl s VAL 9 Cb -0.13 -3.32 0.17 0.00 0.00 0.00 0.00 36.38 33.10 1ktl s VAL 9 CO -0.12 0.50 1.24 -0.72 0.00 0.00 0.00 175.10 176.00 1ktl s TYR 10 N -0.03 -0.17 0.30 5.22 1.13 0.82 -4.67 117.35 119.95 1ktl s TYR 10 Ca 0.08 0.31 0.00 0.00 -1.41 0.00 0.00 57.07 56.06 1ktl s TYR 10 Cb -0.12 0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 1ktl s TYR 10 CO 0.00 -0.14 0.49 -1.54 -2.51 0.00 0.00 175.55 171.85 1ktl s SER 11 N -0.84 6.33 0.17 -0.18 1.04 -1.26 0.11 113.70 119.07 1ktl s SER 11 Ca 0.05 0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.75 1ktl s SER 11 Cb -0.02 -2.01 0.08 0.00 0.10 0.00 0.00 66.02 64.17 1ktl s SER 11 CO -0.06 -0.20 1.81 -0.09 0.98 0.00 0.00 173.24 175.68 1ktl h ARG 12 N 1.15 0.56 -6.41 4.02 9.65 -0.62 -3.44 114.38 119.28 1ktl h ARG 12 Ca -0.50 -0.03 -0.63 0.00 -1.10 0.00 0.00 59.98 57.72 1ktl h ARG 12 Cb 1.21 -0.13 -0.16 0.00 -1.39 0.00 0.00 29.97 29.50 1ktl h ARG 12 CO 0.63 0.37 -0.79 -1.01 2.80 0.00 0.00 179.97 181.97 1ktl s HIS 13 N -6.15 2.29 0.30 2.20 3.76 -1.26 -5.05 115.29 111.38 1ktl s HIS 13 Ca -0.13 -0.35 -0.30 0.00 -0.15 0.00 0.00 55.06 54.14 1ktl s HIS 13 Cb 0.12 -1.07 -0.12 0.00 1.11 0.00 0.00 32.58 32.63 1ktl s HIS 13 CO 0.73 0.60 1.47 -2.30 -0.85 0.00 0.00 174.74 174.40 1ktl n PRO 14 N -0.16 2.41 -1.69 8.40 -0.02 -1.26 -4.78 135.00 137.91 1ktl n PRO 14 Ca -0.09 0.85 -0.53 0.00 -2.02 0.00 0.00 63.50 61.71 1ktl n PRO 14 Cb 0.58 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 1ktl n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ktl n ALA 15 N 1.49 0.14 -3.66 3.55 0.00 -1.26 -4.94 120.51 115.84 1ktl n ALA 15 Ca 0.08 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 1ktl n ALA 15 Cb 0.35 -2.30 -0.13 0.00 0.00 0.00 0.00 19.45 17.38 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 3.21 1.16 -0.15 0.00 2.56 -1.26 -5.09 118.70 119.14 1ktl s GLU 16 Ca 0.94 -1.92 -0.27 0.00 0.00 0.00 0.00 54.97 53.72 1ktl s GLU 16 Cb -0.92 -2.13 -0.12 0.00 2.00 0.00 0.00 34.13 32.95 1ktl s GLU 16 CO 0.58 -1.18 0.82 0.09 -0.56 0.00 0.00 175.26 175.01 1ktl n ASN 17 N 3.57 0.35 0.00 -1.70 3.02 -1.26 0.21 115.26 119.45 1ktl n ASN 17 Ca 0.10 0.73 0.00 0.00 -0.03 0.00 0.00 54.58 55.39 1ktl n ASN 17 Cb 0.36 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 1.67 2.66 3.67 7.41 0.00 -0.77 -4.97 105.19 114.87 1ktl n GLY 18 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.03 4.31 0.71 1.61 0.00 0.56 -4.96 119.74 121.95 1ktl s LYS 19 Ca 0.00 1.30 -0.16 0.00 0.00 0.00 0.00 55.97 57.11 1ktl s LYS 19 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 37.83 34.20 1ktl s LYS 19 CO 0.00 -0.48 0.64 0.45 0.00 0.00 0.00 175.35 175.96 1ktl n SER 20 N 5.74 -0.76 0.00 0.03 2.88 -1.26 -4.32 113.62 115.94 1ktl n SER 20 Ca 0.10 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1ktl n SER 20 Cb 0.47 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 -0.61 0.00 -3.68 -3.46 2.85 0.15 -4.97 115.26 105.54 1ktl n ASN 21 Ca 0.11 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.47 1ktl n ASN 21 Cb 0.50 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.40 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 -0.79 -0.60 -0.13 1.20 0.08 -1.26 -2.65 117.98 113.83 1ktl s PHE 22 Ca 0.00 1.24 -0.17 0.00 0.12 0.00 0.00 56.93 58.12 1ktl s PHE 22 Cb 0.00 0.17 -0.04 0.00 -0.57 0.00 0.00 43.02 42.58 1ktl s PHE 22 CO 0.00 -0.39 0.43 -1.17 -0.10 0.00 0.00 175.22 174.00 1ktl s LEU 23 N 2.15 4.27 0.01 -0.37 2.96 0.25 0.20 118.68 128.16 1ktl s LEU 23 Ca -0.03 0.75 0.08 0.00 -0.22 0.00 0.00 54.13 54.70 1ktl s LEU 23 Cb -0.11 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 1ktl s LEU 23 CO -0.11 0.03 -0.24 0.20 -1.32 0.00 0.00 176.35 174.90 1ktl s ASN 24 N 0.56 2.89 -0.21 3.68 0.01 0.12 -1.82 114.94 120.16 1ktl s ASN 24 Ca 0.24 -0.50 0.01 0.00 -0.71 0.00 0.00 52.86 51.89 1ktl s ASN 24 Cb -0.15 -0.29 0.05 0.00 0.41 0.00 0.00 41.25 41.28 1ktl s ASN 24 CO 0.09 0.26 -0.07 0.00 -1.51 0.00 0.00 177.10 175.87 1ktl s TYR 26 N 1.43 3.24 -0.11 0.00 5.04 -0.08 -0.80 117.35 126.06 1ktl s TYR 26 Ca -0.03 -1.20 -0.01 0.00 -2.44 0.00 0.00 57.07 53.39 1ktl s TYR 26 Cb -0.17 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.79 1ktl s TYR 26 CO -0.07 -0.68 -0.07 0.14 -1.34 0.00 0.00 175.55 173.53 1ktl s VAL 27 N 1.47 3.63 0.22 3.14 -7.23 -0.64 -2.53 120.40 118.46 1ktl s VAL 27 Ca 0.00 -0.48 -0.08 0.00 -1.81 0.00 0.00 61.98 59.61 1ktl s VAL 27 Cb -0.19 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1ktl s VAL 27 CO 0.04 0.54 0.34 -0.94 -0.31 0.00 0.00 175.10 174.77 1ktl s SER 28 N -0.12 0.00 -1.58 4.85 1.04 -0.76 -0.84 113.70 116.28 1ktl s SER 28 Ca 0.01 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.35 1ktl s SER 28 Cb -0.13 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1ktl s SER 28 CO 0.03 -1.01 0.11 0.61 0.98 0.00 0.00 173.24 173.95 1ktl n GLY 29 N -0.33 -0.41 3.69 7.32 0.00 0.54 -1.00 105.19 115.00 1ktl n GLY 29 Ca -0.01 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.98 2.91 -0.25 1.61 -0.71 -1.15 -4.25 117.98 113.16 1ktl s PHE 30 Ca 0.05 -0.11 -0.19 0.00 -1.04 0.00 0.00 56.93 55.65 1ktl s PHE 30 Cb -0.02 -1.42 0.07 0.00 -1.21 0.00 0.00 43.02 40.44 1ktl s PHE 30 CO 0.07 0.51 0.63 -1.58 -1.34 0.00 0.00 175.22 173.51 1ktl s HIS 31 N -1.68 -0.81 1.25 3.49 2.46 -1.01 -1.37 115.29 117.62 1ktl s HIS 31 Ca 0.28 1.81 -0.20 0.00 0.47 0.00 0.00 55.06 57.41 1ktl s HIS 31 Cb -0.10 0.37 0.31 0.00 -0.13 0.00 0.00 32.58 33.02 1ktl s HIS 31 CO 0.19 -0.40 1.09 -1.25 -2.47 0.00 0.00 174.74 171.91 1ktl s PRO 32 N 0.85 -1.58 0.00 2.88 0.04 -1.26 -0.68 135.00 135.24 1ktl s PRO 32 Ca -0.04 -0.12 0.19 0.00 0.04 0.00 0.00 61.00 61.07 1ktl s PRO 32 Cb -0.05 -1.56 1.15 0.00 0.04 0.00 0.00 34.50 34.08 1ktl s PRO 32 CO -0.07 -3.94 1.59 -1.13 0.04 0.00 0.00 177.00 173.49 1ktl n SER 33 N -4.91 0.00 -4.64 6.66 3.41 -1.26 -4.78 113.62 108.10 1ktl n SER 33 Ca 0.14 -0.89 -0.42 0.00 -0.26 0.00 0.00 58.87 57.44 1ktl n SER 33 Cb 0.60 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.86 6.85 -0.01 4.04 1.01 -1.26 -5.02 116.67 120.43 1ktl s ASP 34 Ca 0.29 0.99 -0.09 0.00 0.71 0.00 0.00 52.55 54.46 1ktl s ASP 34 Cb 0.13 -2.47 0.01 0.00 1.01 0.00 0.00 42.92 41.60 1ktl s ASP 34 CO 0.22 -0.65 0.18 -0.51 0.21 0.00 0.00 175.17 174.62 1ktl s ILE 35 N 3.11 0.07 -0.14 0.77 2.07 -1.26 -4.61 121.20 121.22 1ktl s ILE 35 Ca 0.38 -0.58 0.01 0.00 -1.41 0.00 0.00 60.65 59.04 1ktl s ILE 35 Cb -0.14 -0.45 -0.01 0.00 0.13 0.00 0.00 42.46 41.99 1ktl s ILE 35 CO 0.10 -0.32 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.04 1ktl s GLU 36 N -1.23 3.26 -0.05 3.50 2.02 -0.54 -4.95 118.70 120.72 1ktl s GLU 36 Ca -0.13 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.12 1ktl s GLU 36 Cb -0.07 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.61 1ktl s GLU 36 CO 0.02 0.13 -0.03 0.08 0.02 0.00 0.00 175.26 175.48 1ktl s VAL 37 N 0.54 0.47 0.02 2.63 1.01 -1.26 -0.31 120.40 123.50 1ktl s VAL 37 Ca -0.10 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1ktl s VAL 37 Cb -0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1ktl s VAL 37 CO 0.04 0.23 -0.18 -1.81 0.00 0.00 0.00 175.10 173.39 1ktl s ASP 38 N 1.29 2.09 -0.08 3.32 1.01 -0.19 -4.96 116.67 119.15 1ktl s ASP 38 Ca -0.05 -0.42 -0.14 0.00 0.71 0.00 0.00 52.55 52.65 1ktl s ASP 38 Cb -0.14 -0.19 -0.05 0.00 1.01 0.00 0.00 42.92 43.56 1ktl s ASP 38 CO -0.02 0.15 0.34 -0.76 0.21 0.00 0.00 175.17 175.08 1ktl s LEU 39 N -0.86 4.36 0.03 1.23 1.43 -1.26 0.20 118.68 123.82 1ktl s LEU 39 Ca 0.06 0.72 0.09 0.00 -1.03 0.00 0.00 54.13 53.96 1ktl s LEU 39 Cb -0.08 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 1ktl s LEU 39 CO 0.01 0.23 -0.25 -0.76 0.23 0.00 0.00 176.35 175.81 1ktl s LEU 40 N -0.37 2.25 -0.30 1.79 1.43 0.33 -1.35 118.68 122.45 1ktl s LEU 40 Ca 0.20 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1ktl s LEU 40 Cb -0.15 -1.34 0.09 0.00 0.03 0.00 0.00 46.19 44.82 1ktl s LEU 40 CO 0.08 0.27 0.02 -0.75 0.23 0.00 0.00 176.35 176.21 1ktl s LYS 41 N -1.18 1.42 -1.13 1.70 2.20 0.59 -1.41 119.74 121.93 1ktl s LYS 41 Ca 0.12 -1.47 -0.14 0.00 -0.36 0.00 0.00 55.97 54.12 1ktl s LYS 41 Cb -0.10 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.40 1ktl s LYS 41 CO 0.02 -0.85 0.82 0.09 -0.36 0.00 0.00 175.35 175.08 1ktl n ASN 42 N 4.48 -5.24 0.00 1.43 5.03 0.22 -1.59 115.26 119.59 1ktl n ASN 42 Ca -0.02 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 54.53 1ktl n ASN 42 Cb 0.42 -4.06 0.00 0.00 -1.02 0.00 0.00 39.78 35.12 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 -1.52 1.69 3.88 7.41 0.00 -1.26 -4.97 105.19 110.41 1ktl n GLY 43 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 3.68 -0.30 1.61 2.12 -0.62 -5.00 118.70 120.18 1ktl s GLU 44 Ca 0.00 0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.10 1ktl s GLU 44 Cb 0.00 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.39 1ktl s GLU 44 CO 0.00 0.58 1.05 -0.98 -0.54 0.00 0.00 175.26 175.38 1ktl s ARG 45 N -1.93 4.10 0.15 4.30 1.70 -1.26 -0.30 118.95 125.70 1ktl s ARG 45 Ca 0.32 1.10 -0.32 0.00 -0.47 0.00 0.00 55.73 56.36 1ktl s ARG 45 Cb -0.13 -3.72 -0.12 0.00 -0.57 0.00 0.00 34.95 30.41 1ktl s ARG 45 CO 0.18 -0.84 1.77 -0.89 -1.08 0.00 0.00 175.30 174.44 1ktl n ILE 46 N 5.75 0.20 -2.41 4.99 5.41 -0.46 -4.94 119.36 127.90 1ktl n ILE 46 Ca 0.12 -0.04 -0.25 0.00 1.00 0.00 0.00 62.75 63.58 1ktl n ILE 46 Cb 0.47 -1.99 0.11 0.00 -0.71 0.00 0.00 39.64 37.51 1ktl n ILE 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1ktl s GLU 47 N 2.01 1.66 -1.50 0.38 2.02 -1.26 -4.46 118.70 117.55 1ktl s GLU 47 Ca 0.80 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.85 1ktl s GLU 47 Cb -0.52 -2.23 0.07 0.00 0.10 0.00 0.00 34.13 31.55 1ktl s GLU 47 CO 0.36 -1.52 0.97 1.63 0.02 0.00 0.00 175.26 176.73 1ktl n LYS 48 N -2.97 -5.68 -2.32 1.61 5.02 -1.26 -4.99 118.16 107.57 1ktl n LYS 48 Ca 0.13 0.62 -0.27 0.00 -2.02 0.00 0.00 58.31 56.77 1ktl n LYS 48 Cb 0.60 -5.49 0.03 0.00 -0.02 0.00 0.00 35.03 30.15 1ktl n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ktl s VAL 49 N -3.34 3.78 0.12 -0.18 1.01 -1.26 -4.93 120.40 115.60 1ktl s VAL 49 Ca 0.59 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.73 1ktl s VAL 49 Cb -0.29 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1ktl s VAL 49 CO 0.82 -0.55 -0.08 -1.61 0.00 0.00 0.00 175.10 173.68 1ktl s GLU 50 N -5.03 0.93 0.14 2.72 2.02 0.58 -4.94 118.70 115.12 1ktl s GLU 50 Ca 0.54 -1.37 -0.06 0.00 0.02 0.00 0.00 54.97 54.10 1ktl s GLU 50 Cb -0.11 -0.42 -0.02 0.00 0.10 0.00 0.00 34.13 33.69 1ktl s GLU 50 CO 0.46 0.03 0.20 -3.38 0.02 0.00 0.00 175.26 172.59 1ktl s HIS 51 N -3.38 0.51 0.67 1.61 -3.43 -1.26 0.13 115.29 110.15 1ktl s HIS 51 Ca 0.13 -0.89 -0.04 0.00 -0.80 0.00 0.00 55.06 53.46 1ktl s HIS 51 Cb 0.03 -0.19 0.14 0.00 -1.43 0.00 0.00 32.58 31.13 1ktl s HIS 51 CO -0.02 -0.63 0.92 -1.13 -2.00 0.00 0.00 174.74 171.88 1ktl n SER 52 N -0.15 0.87 -4.71 7.38 3.41 -0.65 -4.97 113.62 114.80 1ktl n SER 52 Ca -0.08 -1.82 -0.42 0.00 -0.26 0.00 0.00 58.87 56.29 1ktl n SER 52 Cb 0.63 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1ktl n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ktl s ASP 53 N -4.63 7.37 0.14 4.04 1.01 -1.26 -4.81 116.67 118.52 1ktl s ASP 53 Ca 0.58 1.71 -0.34 0.00 0.71 0.00 0.00 52.55 55.21 1ktl s ASP 53 Cb -0.03 -2.57 -0.16 0.00 1.01 0.00 0.00 42.92 41.17 1ktl s ASP 53 CO 0.39 -0.25 1.18 -0.11 0.21 0.00 0.00 175.17 176.60 1ktl n LEU 54 N 3.75 1.39 -3.74 1.23 7.94 -1.26 -4.93 117.00 121.38 1ktl n LEU 54 Ca 0.06 1.14 -0.10 0.00 -1.11 0.00 0.00 56.01 56.00 1ktl n LEU 54 Cb 0.50 -1.19 -0.04 0.00 0.53 0.00 0.00 43.42 43.23 1ktl n LEU 54 CO 0.52 -1.32 0.26 -0.55 -1.11 0.00 0.00 177.39 175.20 1ktl s SER 55 N 0.09 -0.25 0.19 1.96 0.15 -1.24 -5.05 113.70 109.55 1ktl s SER 55 Ca 0.77 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.94 1ktl s SER 55 Cb -0.90 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 63.94 1ktl s SER 55 CO 0.51 -1.05 0.06 0.72 1.20 0.00 0.00 173.24 174.68 1ktl s PHE 56 N -3.87 1.24 0.46 3.44 -0.12 -1.26 -1.30 117.98 116.57 1ktl s PHE 56 Ca 0.09 -1.15 0.06 0.00 -0.05 0.00 0.00 56.93 55.88 1ktl s PHE 56 Cb -0.01 -0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 41.67 1ktl s PHE 56 CO -0.03 -0.36 0.27 -1.54 -0.05 0.00 0.00 175.22 173.51 1ktl s SER 57 N -3.19 4.56 0.51 1.98 1.04 0.86 -4.92 113.70 114.54 1ktl s SER 57 Ca 0.30 -1.13 0.40 0.00 0.48 0.00 0.00 55.95 56.00 1ktl s SER 57 Cb 0.07 -0.13 1.58 0.00 0.10 0.00 0.00 66.02 67.65 1ktl s SER 57 CO 0.07 -0.76 1.64 0.50 0.98 0.00 0.00 173.24 175.67 1ktl h LYS 58 N 1.14 0.04 -0.67 4.02 3.64 -2.02 1.49 116.57 124.22 1ktl h LYS 58 Ca -0.41 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1ktl h LYS 58 Cb 1.28 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1ktl h LYS 58 CO 0.64 0.02 0.00 -0.40 -2.27 0.00 0.00 179.45 177.45 1ktl n ASP 59 N -4.26 4.44 0.00 4.20 5.75 -1.26 -4.89 116.55 120.53 1ktl n ASP 59 Ca 0.38 -2.63 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1ktl n ASP 59 Cb 1.65 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 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 0.56 0.00 -2.69 2.11 7.02 0.51 -4.99 117.44 119.96 1ktl n TRP 60 Ca 0.21 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.37 1ktl n TRP 60 Cb 0.92 -0.86 -0.05 0.00 -2.42 0.00 0.00 31.31 28.90 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 -2.20 6.72 0.42 -0.99 1.04 -1.21 -4.63 113.70 112.85 1ktl s SER 61 Ca 0.00 1.50 -0.01 0.00 0.48 0.00 0.00 55.95 57.92 1ktl s SER 61 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 1ktl s SER 61 CO 0.00 -0.44 0.66 -0.36 0.98 0.00 0.00 173.24 174.08 1ktl s PHE 62 N -2.37 3.40 -0.15 5.02 0.08 -0.47 -0.10 117.98 123.39 1ktl s PHE 62 Ca 0.58 0.41 -0.23 0.00 0.12 0.00 0.00 56.93 57.81 1ktl s PHE 62 Cb -0.10 -2.18 0.06 0.00 -0.57 0.00 0.00 43.02 40.23 1ktl s PHE 62 CO 0.24 -0.19 0.58 1.52 -0.10 0.00 0.00 175.22 177.28 1ktl s TYR 63 N -2.53 -0.60 0.02 0.36 -0.85 -0.42 -0.34 117.35 113.00 1ktl s TYR 63 Ca 0.45 1.30 -0.10 0.00 -0.52 0.00 0.00 57.07 58.20 1ktl s TYR 63 Cb -0.10 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.51 1ktl s TYR 63 CO 0.39 -0.41 0.21 -0.51 -1.52 0.00 0.00 175.55 173.71 1ktl s LEU 64 N -0.32 1.29 -0.16 -3.49 1.43 -0.02 -3.64 118.68 113.77 1ktl s LEU 64 Ca -0.05 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1ktl s LEU 64 Cb -0.03 0.95 -0.00 0.00 0.03 0.00 0.00 46.19 47.14 1ktl s LEU 64 CO 0.04 -0.48 -0.14 -0.22 0.23 0.00 0.00 176.35 175.78 1ktl s LEU 65 N -1.70 2.52 -0.00 1.79 2.96 -1.26 -1.62 118.68 121.37 1ktl s LEU 65 Ca -0.10 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1ktl s LEU 65 Cb -0.04 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 1ktl s LEU 65 CO -0.00 0.07 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.73 1ktl s TYR 66 N 0.88 2.92 0.15 5.38 1.51 0.02 -1.64 117.35 126.58 1ktl s TYR 66 Ca -0.04 -0.01 -0.24 0.00 -1.01 0.00 0.00 57.07 55.77 1ktl s TYR 66 Cb -0.15 -1.63 0.06 0.00 -0.11 0.00 0.00 41.96 40.13 1ktl s TYR 66 CO -0.01 0.38 0.82 1.52 -1.11 0.00 0.00 175.55 177.15 1ktl s TYR 67 N -0.99 -0.27 0.01 2.71 1.13 0.12 -0.27 117.35 119.80 1ktl s TYR 67 Ca 0.17 -0.02 -0.27 0.00 -1.41 0.00 0.00 57.07 55.53 1ktl s TYR 67 Cb -0.11 0.62 0.07 0.00 -1.10 0.00 0.00 41.96 41.43 1ktl s TYR 67 CO 0.07 -0.87 0.63 -0.08 -2.51 0.00 0.00 175.55 172.78 1ktl s THR 68 N -3.49 0.01 0.25 -3.49 -1.32 -0.76 -0.31 115.64 106.52 1ktl s THR 68 Ca 0.08 -0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.21 1ktl s THR 68 Cb -0.02 -0.98 -0.09 0.00 -1.51 0.00 0.00 72.50 69.89 1ktl s THR 68 CO -0.02 -0.03 1.06 -0.70 -2.21 0.00 0.00 174.62 172.72 1ktl s GLU 69 N -1.97 4.68 0.34 7.08 2.12 -1.26 -0.58 118.70 129.10 1ktl s GLU 69 Ca -0.07 1.71 -0.13 0.00 0.36 0.00 0.00 54.97 56.83 1ktl s GLU 69 Cb -0.00 -3.23 0.03 0.00 0.26 0.00 0.00 34.13 31.18 1ktl s GLU 69 CO 0.03 0.25 0.65 -0.59 -0.54 0.00 0.00 175.26 175.07 1ktl s PHE 70 N -0.95 0.33 -0.28 5.30 -0.71 -1.08 -4.86 117.98 115.73 1ktl s PHE 70 Ca 0.45 -0.82 -0.01 0.00 -1.04 0.00 0.00 56.93 55.51 1ktl s PHE 70 Cb -0.30 0.50 0.09 0.00 -1.21 0.00 0.00 43.02 42.10 1ktl s PHE 70 CO 0.37 -1.32 0.07 0.99 -1.34 0.00 0.00 175.22 173.99 1ktl s THR 71 N -3.03 0.89 0.54 -4.49 2.01 -1.26 0.32 115.64 110.62 1ktl s THR 71 Ca 0.19 -1.25 -0.19 0.00 0.31 0.00 0.00 61.69 60.75 1ktl s THR 71 Cb -0.03 -1.58 -0.10 0.00 0.01 0.00 0.00 72.50 70.80 1ktl s THR 71 CO 0.12 -0.54 0.52 -0.81 -0.69 0.00 0.00 174.62 173.22 1ktl n PRO 72 N 4.86 0.53 -3.89 4.92 -0.04 -1.26 -4.74 135.00 135.38 1ktl n PRO 72 Ca -0.04 0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 1ktl n PRO 72 Cb 0.43 -1.65 -0.08 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.67 0.13 -0.08 0.52 2.01 -1.26 -1.84 115.64 113.44 1ktl s THR 73 Ca 0.67 -1.09 0.21 0.00 0.31 0.00 0.00 61.69 61.79 1ktl s THR 73 Cb -0.48 -1.08 0.21 0.00 0.01 0.00 0.00 72.50 71.16 1ktl s THR 73 CO 0.55 -0.60 1.66 -0.08 -0.69 0.00 0.00 174.62 175.46 1ktl h GLU 74 N 3.27 0.00 0.07 4.92 4.81 -1.98 -3.35 114.58 122.33 1ktl h GLU 74 Ca -0.33 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.59 1ktl h GLU 74 Cb 1.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1ktl h GLU 74 CO 0.52 0.26 -1.69 1.17 -0.73 0.00 0.00 179.01 178.54 1ktl n LYS 75 N -3.25 0.68 -1.65 1.92 0.00 -1.26 -4.94 118.16 109.66 1ktl n LYS 75 Ca 0.02 0.40 -0.47 0.00 0.00 0.00 0.00 58.31 58.25 1ktl n LYS 75 Cb 0.55 -1.72 -0.04 0.00 0.00 0.00 0.00 35.03 33.81 1ktl n LYS 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ktl n ASP 76 N -3.90 2.65 -4.51 3.14 8.00 -1.26 -4.98 116.55 115.70 1ktl n ASP 76 Ca -0.32 1.10 -0.43 0.00 0.71 0.00 0.00 54.79 55.85 1ktl n ASP 76 Cb 0.89 -1.36 -0.08 0.00 -0.02 0.00 0.00 41.12 40.55 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 0.62 3.26 0.10 -1.24 0.41 -1.26 -4.73 118.70 115.86 1ktl s GLU 77 Ca 0.79 -0.54 0.04 0.00 -0.41 0.00 0.00 54.97 54.84 1ktl s GLU 77 Cb -0.75 -3.93 -0.04 0.00 -1.78 0.00 0.00 34.13 27.64 1ktl s GLU 77 CO 0.42 -0.83 0.09 0.71 -0.49 0.00 0.00 175.26 175.15 1ktl s TYR 78 N 2.34 3.16 0.24 1.61 2.02 -1.26 0.71 117.35 126.17 1ktl s TYR 78 Ca 0.16 0.04 -0.17 0.00 -0.37 0.00 0.00 57.07 56.73 1ktl s TYR 78 Cb -0.16 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1ktl s TYR 78 CO 0.15 0.52 0.57 0.00 -1.57 0.00 0.00 175.55 175.22 1ktl s ALA 79 N -1.49 -0.78 -0.08 3.71 0.00 -0.50 0.32 121.76 122.95 1ktl s ALA 79 Ca 0.29 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1ktl s ALA 79 Cb -0.12 0.93 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 1ktl s ALA 79 CO 0.22 -0.90 -0.23 0.00 0.00 0.00 0.00 175.76 174.85 1ktl s ARG 81 N 0.16 3.27 0.01 0.00 3.52 0.13 -0.95 118.95 125.08 1ktl s ARG 81 Ca -0.12 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 54.85 1ktl s ARG 81 Cb -0.16 -2.69 -0.02 0.00 -1.56 0.00 0.00 34.95 30.52 1ktl s ARG 81 CO 0.06 0.01 -0.25 0.08 -0.81 0.00 0.00 175.30 174.39 1ktl s VAL 82 N 0.85 1.98 0.02 7.11 1.01 0.12 -1.02 120.40 130.46 1ktl s VAL 82 Ca -0.04 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1ktl s VAL 82 Cb -0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1ktl s VAL 82 CO -0.00 0.47 -0.12 0.21 0.00 0.00 0.00 175.10 175.65 1ktl s ASN 83 N -0.82 1.45 0.03 3.32 2.47 0.58 -1.65 114.94 120.32 1ktl s ASN 83 Ca 0.10 -0.33 -0.27 0.00 0.42 0.00 0.00 52.86 52.77 1ktl s ASN 83 Cb -0.10 -0.12 0.09 0.00 -1.45 0.00 0.00 41.25 39.67 1ktl s ASN 83 CO 0.00 0.07 0.75 -2.28 -3.72 0.00 0.00 177.10 171.93 1ktl s HIS 84 N -0.58 -0.48 0.40 0.43 5.65 -1.26 -1.46 115.29 117.98 1ktl s HIS 84 Ca 0.02 0.47 0.14 0.00 0.25 0.00 0.00 55.06 55.94 1ktl s HIS 84 Cb -0.06 0.51 0.98 0.00 -1.18 0.00 0.00 32.58 32.83 1ktl s HIS 84 CO 0.00 -0.65 1.89 -0.24 -0.65 0.00 0.00 174.74 175.09 1ktl h VAL 85 N 2.24 0.79 0.00 0.89 3.04 -1.95 0.17 116.25 121.43 1ktl h VAL 85 Ca -0.27 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1ktl h VAL 85 Cb 1.24 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1ktl h VAL 85 CO 0.35 0.09 0.00 0.35 -1.01 0.00 0.00 177.57 177.35 1ktl n THR 86 N -4.51 0.00 -4.17 3.17 -2.24 -1.26 -4.73 114.28 100.55 1ktl n THR 86 Ca 0.16 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.60 1ktl n THR 86 Cb 0.54 -0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.63 2.45 0.28 3.22 1.43 0.59 -4.96 118.68 120.06 1ktl s LEU 87 Ca 0.20 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1ktl s LEU 87 Cb 0.09 -1.58 0.68 0.00 0.03 0.00 0.00 46.19 45.41 1ktl s LEU 87 CO 0.15 0.02 1.68 0.77 0.23 0.00 0.00 176.35 179.20 1ktl h SER 88 N 7.82 0.19 -5.11 2.29 4.64 -1.85 -3.43 113.55 118.10 1ktl h SER 88 Ca -0.41 0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 1ktl h SER 88 Cb 1.16 0.18 -0.14 0.00 -0.31 0.00 0.00 62.40 63.29 1ktl h SER 88 CO 0.61 -0.05 -0.23 0.00 -0.87 0.00 0.00 176.83 176.29 1ktl s GLN 89 N -5.92 0.94 0.53 4.77 -2.07 -1.26 -5.13 119.66 111.53 1ktl s GLN 89 Ca -0.12 -0.82 -0.20 0.00 -1.82 0.00 0.00 55.36 52.40 1ktl s GLN 89 Cb 0.25 0.40 -0.08 0.00 -1.09 0.00 0.00 33.01 32.49 1ktl s GLN 89 CO 0.77 -0.34 0.80 -0.35 -1.32 0.00 0.00 175.29 174.85 1ktl n PRO 90 N -0.10 0.85 -4.11 9.60 -0.04 -1.26 -4.94 135.00 134.99 1ktl n PRO 90 Ca -0.16 0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 63.27 1ktl n PRO 90 Cb 0.63 -1.93 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.25 3.46 -0.13 0.54 2.47 -0.66 -4.92 119.74 118.25 1ktl s LYS 91 Ca 0.69 -0.31 0.02 0.00 -1.56 0.00 0.00 55.97 54.81 1ktl s LYS 91 Cb -0.48 -3.05 -0.00 0.00 -1.46 0.00 0.00 37.83 32.85 1ktl s LYS 91 CO 0.53 0.57 -0.19 0.42 0.16 0.00 0.00 175.35 176.84 1ktl s ILE 92 N -0.48 2.44 -0.11 5.43 1.01 -1.26 -0.71 121.20 127.53 1ktl s ILE 92 Ca 0.10 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1ktl s ILE 92 Cb -0.12 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1ktl s ILE 92 CO 0.02 0.53 -0.17 0.68 0.00 0.00 0.00 174.94 176.00 1ktl s VAL 93 N 0.63 1.63 0.29 2.92 -7.23 -0.12 -4.94 120.40 113.57 1ktl s VAL 93 Ca -0.10 -0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 59.05 1ktl s VAL 93 Cb -0.16 -1.47 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 1ktl s VAL 93 CO 0.03 0.47 1.13 -0.54 -0.31 0.00 0.00 175.10 175.87 1ktl s LYS 94 N 0.86 4.58 0.25 4.82 1.02 -1.26 -1.05 119.74 128.95 1ktl s LYS 94 Ca -0.09 1.86 -0.30 0.00 0.02 0.00 0.00 55.97 57.47 1ktl s LYS 94 Cb -0.15 -3.15 -0.09 0.00 -0.52 0.00 0.00 37.83 33.92 1ktl s LYS 94 CO -0.00 0.14 1.09 -0.46 -0.92 0.00 0.00 175.35 175.19 1ktl s TRP 95 N -1.18 3.62 -0.25 3.18 -0.00 0.15 -4.86 118.94 119.61 1ktl s TRP 95 Ca 0.46 1.69 -0.02 0.00 -0.00 0.00 0.00 56.10 58.23 1ktl s TRP 95 Cb -0.33 -3.25 0.08 0.00 -0.00 0.00 0.00 33.47 29.97 1ktl s TRP 95 CO 0.42 -0.47 0.07 0.34 -0.00 0.00 0.00 176.95 177.31 1ktl s ASP 96 N -0.70 3.48 0.15 5.86 -1.08 -1.26 -4.72 116.67 118.41 1ktl s ASP 96 Ca 0.45 -1.23 0.05 0.00 -0.52 0.00 0.00 52.55 51.31 1ktl s ASP 96 Cb -0.31 -0.70 0.28 0.00 -1.46 0.00 0.00 42.92 40.73 1ktl s ASP 96 CO 0.39 -0.36 0.96 -2.11 0.52 0.00 0.00 175.17 174.56 1ktl n ARG 97 N 4.97 0.04 0.00 4.34 1.85 -1.26 -0.23 116.66 126.37 1ktl n ARG 97 Ca -0.06 0.39 0.14 0.00 -1.00 0.00 0.00 57.85 57.32 1ktl n ARG 97 Cb 0.44 -1.93 0.67 0.00 -1.05 0.00 0.00 32.46 30.60 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 -1.60 0.24 0.00 2.89 8.00 -1.26 -4.66 116.55 120.16 1ktl n ASP 98 Ca -0.00 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.14 1ktl n ASP 98 Cb 0.32 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1ktl n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04