#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kla n ILE 1 N 0.00 0.02 -3.70 3.17 2.08 -1.26 -5.01 119.36 114.66 3kla n ILE 1 Ca 0.00 -0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.12 3kla n ILE 1 Cb 0.00 -1.27 -0.17 0.00 -0.75 0.00 0.00 39.64 37.44 3kla n ILE 1 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3kla s GLN 2 N 0.73 -0.03 -0.04 0.38 -0.21 -1.26 -4.35 119.66 114.87 3kla s GLN 2 Ca 0.81 0.32 0.06 0.00 0.02 0.00 0.00 55.36 56.56 3kla s GLN 2 Cb -0.78 -0.47 -0.01 0.00 1.00 0.00 0.00 33.01 32.76 3kla s GLN 2 CO 0.41 -0.29 -0.21 1.03 -2.12 0.00 0.00 175.29 174.11 3kla s ARG 3 N 1.87 2.04 0.16 2.91 0.52 0.63 -4.92 118.95 122.16 3kla s ARG 3 Ca 0.01 -0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 54.18 3kla s ARG 3 Cb -0.12 -1.81 -0.08 0.00 0.52 0.00 0.00 34.95 33.46 3kla s ARG 3 CO -0.03 0.37 0.86 0.99 0.02 0.00 0.00 175.30 177.51 3kla s THR 4 N -0.22 4.35 0.32 0.02 2.01 -1.26 -1.70 115.64 119.16 3kla s THR 4 Ca 0.00 1.88 -0.29 0.00 0.31 0.00 0.00 61.69 63.60 3kla s THR 4 Cb -0.11 -4.23 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 3kla s THR 4 CO 0.02 0.46 1.29 -2.16 -0.69 0.00 0.00 174.62 173.53 3kla s PRO 5 N -0.79 4.38 0.37 4.92 0.04 -1.26 -4.32 135.00 138.34 3kla s PRO 5 Ca 0.40 2.17 -0.18 0.00 0.04 0.00 0.00 61.00 63.43 3kla s PRO 5 Cb -0.24 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.12 3kla s PRO 5 CO 0.28 -0.16 0.84 0.15 0.04 0.00 0.00 177.00 178.16 3kla s LYS 6 N -1.65 4.14 -0.04 4.56 1.02 0.91 -4.89 119.74 123.78 3kla s LYS 6 Ca 0.49 0.90 0.00 0.00 0.02 0.00 0.00 55.97 57.39 3kla s LYS 6 Cb -0.39 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 3kla s LYS 6 CO 0.51 0.09 -0.01 0.42 -0.92 0.00 0.00 175.35 175.44 3kla s ILE 7 N -2.03 0.33 -0.04 2.17 1.01 -1.26 -1.73 121.20 119.64 3kla s ILE 7 Ca 0.57 0.03 0.03 0.00 0.00 0.00 0.00 60.65 61.28 3kla s ILE 7 Cb -0.10 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 41.96 3kla s ILE 7 CO 0.16 0.19 -0.11 -1.10 0.00 0.00 0.00 174.94 174.08 3kla s GLN 8 N 1.18 1.36 -0.09 2.79 -0.21 -0.29 -4.98 119.66 119.42 3kla s GLN 8 Ca -0.07 -0.39 0.05 0.00 0.02 0.00 0.00 55.36 54.96 3kla s GLN 8 Cb -0.14 -1.19 -0.00 0.00 1.00 0.00 0.00 33.01 32.68 3kla s GLN 8 CO -0.02 0.10 -0.24 0.08 -2.12 0.00 0.00 175.29 173.09 3kla s VAL 9 N 0.36 2.05 -0.05 1.09 1.01 -1.26 -0.43 120.40 123.17 3kla s VAL 9 Ca -0.08 -1.03 -0.31 0.00 0.00 0.00 0.00 61.98 60.57 3kla s VAL 9 Cb -0.12 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.61 3kla s VAL 9 CO 0.02 0.56 1.05 -0.72 0.00 0.00 0.00 175.10 176.01 3kla s TYR 10 N 0.19 -0.21 0.21 5.22 1.13 -0.43 -4.62 117.35 118.84 3kla s TYR 10 Ca -0.14 0.09 -0.03 0.00 -1.41 0.00 0.00 57.07 55.57 3kla s TYR 10 Cb -0.17 0.54 -0.05 0.00 -1.10 0.00 0.00 41.96 41.19 3kla s TYR 10 CO 0.07 -0.43 0.44 -1.54 -2.51 0.00 0.00 175.55 171.59 3kla s SER 11 N -2.49 6.44 0.10 -0.18 1.04 -1.26 0.12 113.70 117.47 3kla s SER 11 Ca 0.08 0.57 -0.19 0.00 0.48 0.00 0.00 55.95 56.89 3kla s SER 11 Cb -0.00 -2.08 -0.08 0.00 0.10 0.00 0.00 66.02 63.96 3kla s SER 11 CO -0.06 -0.07 1.63 -0.09 0.98 0.00 0.00 173.24 175.64 3kla h ARG 12 N 2.15 0.33 -6.28 4.02 2.43 -1.39 -3.44 114.38 112.20 3kla h ARG 12 Ca -0.47 -0.06 -0.58 0.00 -0.81 0.00 0.00 59.98 58.06 3kla h ARG 12 Cb 1.18 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.58 3kla h ARG 12 CO 0.69 0.39 -0.64 -1.01 -1.51 0.00 0.00 179.97 177.89 3kla s HIS 13 N -5.52 2.81 0.20 2.20 3.76 -1.26 -5.03 115.29 112.44 3kla s HIS 13 Ca -0.14 -0.17 -0.32 0.00 -0.15 0.00 0.00 55.06 54.28 3kla s HIS 13 Cb 0.08 -1.31 -0.14 0.00 1.11 0.00 0.00 32.58 32.32 3kla s HIS 13 CO 0.71 0.55 1.46 -2.30 -0.85 0.00 0.00 174.74 174.32 3kla n PRO 14 N -0.50 2.02 -2.13 8.40 -0.02 -1.26 -4.83 135.00 136.68 3kla n PRO 14 Ca -0.08 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 3kla n PRO 14 Cb 0.57 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 3kla n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kla s ALA 15 N 0.33 3.61 -0.12 3.55 0.00 -1.26 -5.01 121.76 122.86 3kla s ALA 15 Ca 0.73 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.69 3kla s ALA 15 Cb -0.68 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 18.85 3kla s ALA 15 CO 0.45 -0.93 -0.10 -1.21 0.00 0.00 0.00 175.76 173.97 3kla s GLU 16 N 2.32 1.76 0.10 0.00 2.02 -1.26 -5.09 118.70 118.53 3kla s GLU 16 Ca 0.67 -0.35 -0.35 0.00 0.02 0.00 0.00 54.97 54.95 3kla s GLU 16 Cb -0.34 -1.70 -0.15 0.00 0.10 0.00 0.00 34.13 32.03 3kla s GLU 16 CO 0.28 -0.22 1.48 0.09 0.02 0.00 0.00 175.26 176.92 3kla n ASN 17 N 4.75 2.39 0.00 -0.19 3.02 -1.26 -1.16 115.26 122.81 3kla n ASN 17 Ca -0.15 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 3kla n ASN 17 Cb 0.50 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 3kla n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kla n GLY 18 N 3.05 0.94 3.43 7.41 0.00 0.06 -5.00 105.19 115.08 3kla n GLY 18 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3kla n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kla s LYS 19 N -0.26 3.46 0.59 1.61 1.02 -0.31 -4.98 119.74 120.88 3kla s LYS 19 Ca 0.00 -0.62 -0.20 0.00 0.02 0.00 0.00 55.97 55.17 3kla s LYS 19 Cb 0.00 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 3kla s LYS 19 CO 0.00 0.25 1.20 -1.13 -0.92 0.00 0.00 175.35 174.74 3kla n SER 20 N 3.47 1.84 -1.66 2.83 3.41 -1.26 -4.21 113.62 118.03 3kla n SER 20 Ca -0.18 0.88 -0.03 0.00 -0.26 0.00 0.00 58.87 59.28 3kla n SER 20 Cb 0.53 -1.50 0.01 0.00 -0.26 0.00 0.00 64.21 62.99 3kla n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3kla n ASN 21 N -1.12 -0.81 -4.07 4.04 2.85 0.40 -4.98 115.26 111.58 3kla n ASN 21 Ca 0.13 -1.55 -0.24 0.00 -0.11 0.00 0.00 54.58 52.81 3kla n ASN 21 Cb 0.46 1.34 -0.16 0.00 1.24 0.00 0.00 39.78 42.66 3kla n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3kla s PHE 22 N -6.36 1.48 -0.18 1.20 0.40 -1.26 -1.61 117.98 111.64 3kla s PHE 22 Ca 0.06 -0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 55.77 3kla s PHE 22 Cb -0.02 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 3kla s PHE 22 CO 0.04 -0.19 0.41 -1.17 0.70 0.00 0.00 175.22 175.01 3kla s LEU 23 N 0.27 4.18 0.01 -0.37 2.96 0.37 -0.88 118.68 125.22 3kla s LEU 23 Ca -0.07 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.46 3kla s LEU 23 Cb -0.12 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 3kla s LEU 23 CO 0.02 -0.05 -0.14 0.20 -1.32 0.00 0.00 176.35 175.06 3kla s ASN 24 N 0.92 4.05 -0.20 3.68 0.01 0.12 -1.20 114.94 122.32 3kla s ASN 24 Ca 0.20 -0.30 -0.01 0.00 -0.71 0.00 0.00 52.86 52.04 3kla s ASN 24 Cb -0.15 -0.78 0.06 0.00 0.41 0.00 0.00 41.25 40.79 3kla s ASN 24 CO 0.08 0.29 -0.01 0.00 -1.51 0.00 0.00 177.10 175.94 3kla s TYR 26 N 1.64 3.29 -0.07 0.00 5.04 0.43 -0.76 117.35 126.91 3kla s TYR 26 Ca -0.03 0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.89 3kla s TYR 26 Cb -0.17 -2.34 -0.01 0.00 0.35 0.00 0.00 41.96 39.78 3kla s TYR 26 CO -0.07 -0.03 -0.20 0.14 -1.34 0.00 0.00 175.55 174.05 3kla s VAL 27 N 1.35 2.48 0.20 3.14 -7.23 -0.07 -1.14 120.40 119.14 3kla s VAL 27 Ca 0.09 -0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 59.22 3kla s VAL 27 Cb -0.14 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.85 3kla s VAL 27 CO 0.07 0.56 0.43 -0.94 -0.31 0.00 0.00 175.10 174.92 3kla s SER 28 N -0.14 -0.11 -0.69 4.85 1.04 -0.71 -0.90 113.70 117.05 3kla s SER 28 Ca -0.03 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3kla s SER 28 Cb -0.14 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3kla s SER 28 CO 0.04 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3kla n GLY 29 N -0.31 0.86 3.84 7.32 0.00 -0.20 -0.06 105.19 116.63 3kla n GLY 29 Ca -0.06 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 3kla n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kla s PHE 30 N -2.14 3.20 -0.28 1.61 -0.71 -1.18 -4.26 117.98 114.23 3kla s PHE 30 Ca 0.00 -0.04 -0.22 0.00 -1.04 0.00 0.00 56.93 55.64 3kla s PHE 30 Cb 0.00 -1.50 0.09 0.00 -1.21 0.00 0.00 43.02 40.40 3kla s PHE 30 CO 0.00 0.51 0.79 -1.58 -1.34 0.00 0.00 175.22 173.60 3kla s HIS 31 N -1.91 -0.79 1.10 3.49 2.46 -0.69 -0.97 115.29 117.99 3kla s HIS 31 Ca 0.32 1.78 -0.18 0.00 0.47 0.00 0.00 55.06 57.45 3kla s HIS 31 Cb -0.09 0.39 0.27 0.00 -0.13 0.00 0.00 32.58 33.02 3kla s HIS 31 CO 0.25 -0.39 1.07 -0.35 -2.47 0.00 0.00 174.74 172.86 3kla n PRO 32 N 3.14 -2.60 0.09 2.88 -0.04 -1.26 -0.27 135.00 136.94 3kla n PRO 32 Ca -0.16 -1.70 0.13 0.00 -0.04 0.00 0.00 63.50 61.73 3kla n PRO 32 Cb 0.56 -1.48 0.45 0.00 -0.04 0.00 0.00 33.50 33.00 3kla n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kla n SER 33 N -4.53 0.65 -4.68 3.54 3.41 -1.26 -4.79 113.62 105.95 3kla n SER 33 Ca 0.15 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.90 3kla n SER 33 Cb 0.55 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 3kla n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3kla s ASP 34 N -4.22 6.73 -0.11 4.04 -0.00 -1.26 -4.97 116.67 116.88 3kla s ASP 34 Ca 0.11 2.25 -0.26 0.00 -0.00 0.00 0.00 52.55 54.65 3kla s ASP 34 Cb 0.13 -2.55 0.06 0.00 -0.00 0.00 0.00 42.92 40.56 3kla s ASP 34 CO 0.57 -0.83 0.62 -0.51 -0.00 0.00 0.00 175.17 175.02 3kla s ILE 35 N 2.94 0.01 -0.16 0.77 2.07 -1.26 -4.60 121.20 120.96 3kla s ILE 35 Ca 0.69 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.88 3kla s ILE 35 Cb -0.34 -0.92 0.01 0.00 0.13 0.00 0.00 42.46 41.34 3kla s ILE 35 CO 0.29 -0.03 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.40 3kla s GLU 36 N -0.71 3.08 -0.09 3.50 2.12 -0.56 -5.00 118.70 121.04 3kla s GLU 36 Ca -0.08 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.45 3kla s GLU 36 Cb -0.02 -2.56 0.02 0.00 0.26 0.00 0.00 34.13 31.82 3kla s GLU 36 CO 0.06 -0.09 -0.08 0.08 -0.54 0.00 0.00 175.26 174.69 3kla s VAL 37 N 1.03 0.96 0.10 3.70 1.01 -1.26 -0.73 120.40 125.21 3kla s VAL 37 Ca -0.01 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.76 3kla s VAL 37 Cb -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3kla s VAL 37 CO -0.06 0.34 -0.25 -1.81 0.00 0.00 0.00 175.10 173.32 3kla s ASP 38 N 1.27 3.37 -0.14 3.32 1.01 0.17 -4.97 116.67 120.69 3kla s ASP 38 Ca -0.04 -0.66 -0.07 0.00 0.71 0.00 0.00 52.55 52.49 3kla s ASP 38 Cb -0.14 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.44 3kla s ASP 38 CO -0.03 0.21 0.12 -0.76 0.21 0.00 0.00 175.17 174.92 3kla s LEU 39 N -1.78 4.21 -0.06 1.23 1.43 -1.26 -0.41 118.68 122.05 3kla s LEU 39 Ca 0.14 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.62 3kla s LEU 39 Cb -0.10 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3kla s LEU 39 CO 0.05 0.32 -0.16 -0.76 0.23 0.00 0.00 176.35 176.04 3kla s LEU 40 N -0.52 2.65 -0.21 1.79 1.43 0.36 -0.47 118.68 123.71 3kla s LEU 40 Ca 0.12 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3kla s LEU 40 Cb -0.12 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3kla s LEU 40 CO 0.02 0.32 -0.12 -0.75 0.23 0.00 0.00 176.35 176.05 3kla s LYS 41 N -0.59 2.98 -1.60 1.70 2.20 0.06 -1.67 119.74 122.82 3kla s LYS 41 Ca 0.08 -0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 54.71 3kla s LYS 41 Cb -0.11 -2.80 0.10 0.00 -1.51 0.00 0.00 37.83 33.50 3kla s LYS 41 CO 0.01 -0.29 0.65 0.09 -0.36 0.00 0.00 175.35 175.46 3kla n ASN 42 N 4.66 -2.29 0.00 1.43 3.02 0.16 -1.42 115.26 120.82 3kla n ASN 42 Ca -0.19 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3kla n ASN 42 Cb 0.49 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.78 3kla n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kla n GLY 43 N -1.65 1.42 3.64 7.41 0.00 -1.26 -5.02 105.19 109.74 3kla n GLY 43 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 3kla n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kla s GLU 44 N -0.13 2.85 0.09 1.61 2.02 -0.51 -5.02 118.70 119.61 3kla s GLU 44 Ca 0.00 -0.50 -0.31 0.00 0.02 0.00 0.00 54.97 54.19 3kla s GLU 44 Cb 0.00 -2.68 -0.08 0.00 0.10 0.00 0.00 34.13 31.46 3kla s GLU 44 CO 0.00 0.68 1.54 0.50 0.02 0.00 0.00 175.26 178.00 3kla s ARG 45 N -0.93 4.24 0.09 1.61 3.52 -1.26 -0.76 118.95 125.46 3kla s ARG 45 Ca 0.14 2.23 -0.30 0.00 -0.13 0.00 0.00 55.73 57.67 3kla s ARG 45 Cb -0.11 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.81 3kla s ARG 45 CO 0.03 -0.62 1.02 0.42 -0.81 0.00 0.00 175.30 175.33 3kla s ILE 46 N 1.92 4.44 0.05 4.11 1.01 0.38 -4.89 121.20 128.21 3kla s ILE 46 Ca 0.70 1.93 -0.16 0.00 0.00 0.00 0.00 60.65 63.11 3kla s ILE 46 Cb -0.39 -4.23 -0.27 0.00 0.01 0.00 0.00 42.46 37.58 3kla s ILE 46 CO 0.31 0.25 1.11 -0.33 0.00 0.00 0.00 174.94 176.28 3kla h GLU 47 N 5.95 0.60 -4.27 2.79 4.39 -1.93 -3.40 114.58 118.71 3kla h GLU 47 Ca -0.42 -0.74 -0.75 0.00 0.34 0.00 0.00 59.36 57.79 3kla h GLU 47 Cb 1.21 0.23 -0.23 0.00 -0.10 0.00 0.00 28.75 29.87 3kla h GLU 47 CO 0.74 1.32 0.30 0.21 -1.16 0.00 0.00 179.01 180.42 3kla s LYS 48 N -3.08 3.53 -0.08 2.33 2.20 -1.26 -4.97 119.74 118.40 3kla s LYS 48 Ca -0.10 -2.12 0.02 0.00 -0.36 0.00 0.00 55.97 53.40 3kla s LYS 48 Cb 0.05 -4.55 0.01 0.00 -1.51 0.00 0.00 37.83 31.83 3kla s LYS 48 CO 0.91 -1.46 -0.14 0.08 -0.36 0.00 0.00 175.35 174.38 3kla s VAL 49 N 1.19 1.30 0.39 4.02 1.01 -1.26 -4.71 120.40 122.34 3kla s VAL 49 Ca 0.21 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3kla s VAL 49 Cb -0.11 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3kla s VAL 49 CO -0.07 0.39 0.30 -1.61 0.00 0.00 0.00 175.10 174.11 3kla s GLU 50 N 0.72 2.50 0.05 2.72 2.02 -0.63 -4.93 118.70 121.15 3kla s GLU 50 Ca -0.13 -1.54 -0.09 0.00 0.02 0.00 0.00 54.97 53.23 3kla s GLU 50 Cb -0.16 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.77 3kla s GLU 50 CO 0.03 -0.09 0.18 -3.38 0.02 0.00 0.00 175.26 172.02 3kla s HIS 51 N -2.46 0.09 0.88 1.61 -3.43 -1.26 -0.89 115.29 109.84 3kla s HIS 51 Ca 0.44 -0.35 -0.10 0.00 -0.80 0.00 0.00 55.06 54.25 3kla s HIS 51 Cb -0.02 -0.05 0.13 0.00 -1.43 0.00 0.00 32.58 31.20 3kla s HIS 51 CO 0.26 -0.43 1.12 -1.54 -2.00 0.00 0.00 174.74 172.15 3kla s SER 52 N -2.19 3.31 0.20 7.38 1.04 0.07 -4.99 113.70 118.51 3kla s SER 52 Ca -0.04 2.02 -0.30 0.00 0.48 0.00 0.00 55.95 58.12 3kla s SER 52 Cb -0.00 -2.53 -0.08 0.00 0.10 0.00 0.00 66.02 63.51 3kla s SER 52 CO -0.05 -2.83 1.24 -1.81 0.98 0.00 0.00 173.24 170.77 3kla s ASP 53 N -2.91 7.00 0.10 7.02 1.01 -1.26 -4.75 116.67 122.89 3kla s ASP 53 Ca 0.65 2.32 -0.33 0.00 0.71 0.00 0.00 52.55 55.90 3kla s ASP 53 Cb -0.21 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 40.98 3kla s ASP 53 CO 0.58 -0.43 1.69 -0.11 0.21 0.00 0.00 175.17 177.11 3kla n LEU 54 N 2.44 3.37 0.00 1.23 7.94 -1.26 -4.96 117.00 125.76 3kla n LEU 54 Ca 0.05 1.04 -0.19 0.00 -1.11 0.00 0.00 56.01 55.80 3kla n LEU 54 Cb 0.44 -1.44 -0.08 0.00 0.53 0.00 0.00 43.42 42.87 3kla n LEU 54 CO 0.57 -0.14 -0.09 -0.24 -1.11 0.00 0.00 177.39 176.38 3kla n SER 55 N 4.52 -0.72 -3.79 1.96 2.88 -1.22 -5.05 113.62 112.20 3kla n SER 55 Ca 0.18 -3.16 -0.09 0.00 -1.33 0.00 0.00 58.87 54.47 3kla n SER 55 Cb 0.30 1.67 -0.06 0.00 -0.75 0.00 0.00 64.21 65.38 3kla n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3kla s PHE 56 N -3.33 0.05 0.73 0.66 -0.12 -1.26 -1.61 117.98 113.10 3kla s PHE 56 Ca 0.39 -0.44 -0.02 0.00 -0.05 0.00 0.00 56.93 56.81 3kla s PHE 56 Cb 0.02 0.04 0.12 0.00 -0.63 0.00 0.00 43.02 42.58 3kla s PHE 56 CO 0.28 -0.61 1.01 -1.12 -0.05 0.00 0.00 175.22 174.73 3kla s SER 57 N -2.85 4.33 0.41 1.98 0.01 0.19 -4.93 113.70 112.84 3kla s SER 57 Ca 0.05 -0.27 0.16 0.00 1.31 0.00 0.00 55.95 57.19 3kla s SER 57 Cb 0.04 -0.12 1.03 0.00 0.21 0.00 0.00 66.02 67.17 3kla s SER 57 CO -0.11 -1.87 1.87 0.50 0.41 0.00 0.00 173.24 174.04 3kla h LYS 58 N -0.57 0.45 -0.35 12.44 3.64 -2.03 -0.40 116.57 129.74 3kla h LYS 58 Ca -0.37 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3kla h LYS 58 Cb 1.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kla h LYS 58 CO 0.41 0.30 0.00 -0.40 -2.27 0.00 0.00 179.45 177.49 3kla n ASP 59 N -4.52 1.75 0.00 4.20 5.68 -1.26 -4.89 116.55 117.51 3kla n ASP 59 Ca 0.18 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 3kla n ASP 59 Cb 0.62 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3kla n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3kla n TRP 60 N 0.39 0.00 -2.34 2.11 7.02 -0.16 -5.03 117.44 119.43 3kla n TRP 60 Ca 0.10 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.22 3kla n TRP 60 Cb 0.29 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.17 3kla n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3kla s SER 61 N -3.68 6.18 0.50 -0.99 1.04 -1.26 -4.64 113.70 110.85 3kla s SER 61 Ca 0.00 2.19 -0.08 0.00 0.48 0.00 0.00 55.95 58.54 3kla s SER 61 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 3kla s SER 61 CO 0.00 -0.90 0.85 -0.36 0.98 0.00 0.00 173.24 173.80 3kla s PHE 62 N -1.67 3.56 -0.01 5.02 0.08 -0.14 -0.63 117.98 124.19 3kla s PHE 62 Ca 0.65 0.98 -0.07 0.00 0.12 0.00 0.00 56.93 58.61 3kla s PHE 62 Cb -0.25 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.77 3kla s PHE 62 CO 0.30 -0.35 0.15 1.52 -0.10 0.00 0.00 175.22 176.73 3kla s TYR 63 N -2.79 0.00 -0.02 0.36 1.13 -0.63 -1.03 117.35 114.37 3kla s TYR 63 Ca 0.50 -0.03 -0.04 0.00 -1.41 0.00 0.00 57.07 56.09 3kla s TYR 63 Cb -0.10 -0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.73 3kla s TYR 63 CO 0.45 -0.26 0.09 -0.51 -2.51 0.00 0.00 175.55 172.81 3kla s LEU 64 N -1.15 1.68 -0.24 -3.49 1.43 -0.08 -3.46 118.68 113.37 3kla s LEU 64 Ca -0.12 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3kla s LEU 64 Cb -0.07 0.39 -0.02 0.00 0.03 0.00 0.00 46.19 46.53 3kla s LEU 64 CO 0.01 -0.14 0.04 -0.22 0.23 0.00 0.00 176.35 176.27 3kla s LEU 65 N -0.46 3.29 -0.11 1.79 2.96 -1.26 -0.89 118.68 123.99 3kla s LEU 65 Ca -0.05 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 3kla s LEU 65 Cb -0.03 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3kla s LEU 65 CO 0.00 -0.04 0.09 -0.31 -1.32 0.00 0.00 176.35 174.77 3kla s TYR 66 N 1.57 3.42 0.04 5.38 1.51 0.06 -0.75 117.35 128.59 3kla s TYR 66 Ca 0.06 0.38 -0.20 0.00 -1.01 0.00 0.00 57.07 56.30 3kla s TYR 66 Cb -0.15 -1.90 0.04 0.00 -0.11 0.00 0.00 41.96 39.84 3kla s TYR 66 CO 0.01 0.60 0.45 1.52 -1.11 0.00 0.00 175.55 177.03 3kla s TYR 67 N -0.86 -0.33 -0.01 2.71 1.13 -0.06 -0.66 117.35 119.27 3kla s TYR 67 Ca 0.14 0.33 -0.16 0.00 -1.41 0.00 0.00 57.07 55.97 3kla s TYR 67 Cb -0.12 0.27 0.03 0.00 -1.10 0.00 0.00 41.96 41.03 3kla s TYR 67 CO 0.03 -0.59 0.35 -0.08 -2.51 0.00 0.00 175.55 172.74 3kla s THR 68 N -2.41 0.06 0.36 -3.49 -1.32 -0.34 -1.61 115.64 106.88 3kla s THR 68 Ca -0.06 -0.46 -0.27 0.00 -1.21 0.00 0.00 61.69 59.70 3kla s THR 68 Cb -0.01 -0.70 -0.09 0.00 -1.51 0.00 0.00 72.50 70.19 3kla s THR 68 CO -0.02 -0.25 1.19 -1.61 -2.21 0.00 0.00 174.62 171.72 3kla s GLU 69 N -1.53 4.26 0.10 7.08 2.02 -1.26 -0.48 118.70 128.88 3kla s GLU 69 Ca -0.12 1.92 -0.17 0.00 0.02 0.00 0.00 54.97 56.62 3kla s GLU 69 Cb -0.04 -2.88 0.04 0.00 0.10 0.00 0.00 34.13 31.34 3kla s GLU 69 CO 0.03 -0.17 0.42 -0.59 0.02 0.00 0.00 175.26 174.97 3kla s PHE 70 N -1.29 -0.25 -0.31 1.61 -0.71 -0.63 -4.81 117.98 111.59 3kla s PHE 70 Ca 0.52 0.04 0.01 0.00 -1.04 0.00 0.00 56.93 56.47 3kla s PHE 70 Cb -0.33 0.26 0.07 0.00 -1.21 0.00 0.00 43.02 41.81 3kla s PHE 70 CO 0.43 -0.66 -0.01 0.99 -1.34 0.00 0.00 175.22 174.63 3kla s THR 71 N -3.30 2.55 0.61 -4.49 2.01 -1.26 -0.45 115.64 111.30 3kla s THR 71 Ca -0.00 -1.79 -0.18 0.00 0.31 0.00 0.00 61.69 60.03 3kla s THR 71 Cb 0.01 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 3kla s THR 71 CO -0.08 -0.26 1.19 -2.16 -0.69 0.00 0.00 174.62 172.62 3kla s PRO 72 N 1.10 2.90 0.36 4.92 0.04 -1.26 -4.74 135.00 138.32 3kla s PRO 72 Ca -0.01 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.82 3kla s PRO 72 Cb -0.20 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3kla s PRO 72 CO -0.05 -1.24 0.07 0.95 0.04 0.00 0.00 177.00 176.77 3kla s THR 73 N -1.73 1.08 0.18 1.26 -4.23 -1.26 -0.76 115.64 110.17 3kla s THR 73 Ca 0.76 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.13 3kla s THR 73 Cb -0.29 -2.66 0.07 0.00 1.34 0.00 0.00 72.50 70.97 3kla s THR 73 CO 0.34 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 176.12 3kla h GLU 74 N 1.98 0.44 0.00 3.99 4.81 -1.97 -3.32 114.58 120.51 3kla h GLU 74 Ca -0.40 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3kla h GLU 74 Cb 1.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3kla h GLU 74 CO 0.67 0.29 -1.47 1.63 -0.73 0.00 0.00 179.01 179.41 3kla n LYS 75 N -4.92 0.77 -1.99 1.92 5.02 -1.26 -4.95 118.16 112.75 3kla n LYS 75 Ca 0.04 -0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 3kla n LYS 75 Cb 0.14 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3kla n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kla s ASP 76 N -3.58 6.63 -0.10 4.39 1.01 -1.25 -5.00 116.67 118.76 3kla s ASP 76 Ca -0.02 2.62 -0.03 0.00 0.71 0.00 0.00 52.55 55.83 3kla s ASP 76 Cb 0.12 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 3kla s ASP 76 CO 0.75 -0.75 0.02 -1.61 0.21 0.00 0.00 175.17 173.79 3kla s GLU 77 N 0.40 3.17 0.18 8.23 2.02 -1.26 -4.78 118.70 126.66 3kla s GLU 77 Ca 0.64 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 55.33 3kla s GLU 77 Cb -0.42 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3kla s GLU 77 CO 0.37 0.65 -0.15 0.71 0.02 0.00 0.00 175.26 176.85 3kla s TYR 78 N -0.71 1.66 0.22 1.61 2.02 -1.26 0.40 117.35 121.29 3kla s TYR 78 Ca 0.11 -0.55 -0.19 0.00 -0.37 0.00 0.00 57.07 56.07 3kla s TYR 78 Cb -0.12 -0.80 0.03 0.00 -0.40 0.00 0.00 41.96 40.67 3kla s TYR 78 CO 0.02 0.30 0.59 0.00 -1.57 0.00 0.00 175.55 174.90 3kla s ALA 79 N -2.62 -1.05 -0.02 3.71 0.00 -0.67 -0.85 121.76 120.24 3kla s ALA 79 Ca 0.18 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.00 3kla s ALA 79 Cb -0.02 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 3kla s ALA 79 CO 0.06 -0.88 -0.23 0.00 0.00 0.00 0.00 175.76 174.71 3kla s ARG 81 N -0.45 2.46 -0.04 0.00 3.52 0.45 -1.00 118.95 123.88 3kla s ARG 81 Ca 0.07 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 3kla s ARG 81 Cb -0.09 -2.02 0.00 0.00 -1.56 0.00 0.00 34.95 31.28 3kla s ARG 81 CO -0.00 -0.01 -0.15 0.08 -0.81 0.00 0.00 175.30 174.41 3kla s VAL 82 N 0.83 1.26 0.09 7.11 1.01 -0.04 -0.66 120.40 129.99 3kla s VAL 82 Ca -0.09 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.35 3kla s VAL 82 Cb -0.16 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3kla s VAL 82 CO 0.00 0.37 -0.19 0.21 0.00 0.00 0.00 175.10 175.50 3kla s ASN 83 N 0.20 2.24 0.04 3.32 2.47 0.09 -1.33 114.94 121.97 3kla s ASN 83 Ca -0.06 -0.65 -0.27 0.00 0.42 0.00 0.00 52.86 52.30 3kla s ASN 83 Cb -0.12 -0.11 0.09 0.00 -1.45 0.00 0.00 41.25 39.66 3kla s ASN 83 CO 0.02 0.02 0.76 -2.28 -3.72 0.00 0.00 177.10 171.90 3kla s HIS 84 N -1.17 -0.46 0.57 0.43 5.65 -1.26 -1.50 115.29 117.55 3kla s HIS 84 Ca 0.04 0.41 0.27 0.00 0.25 0.00 0.00 55.06 56.03 3kla s HIS 84 Cb -0.10 0.52 1.62 0.00 -1.18 0.00 0.00 32.58 33.45 3kla s HIS 84 CO 0.03 -0.65 2.15 -0.24 -0.65 0.00 0.00 174.74 175.38 3kla h VAL 85 N 2.18 0.60 0.00 0.89 3.04 -1.95 -1.12 116.25 119.89 3kla h VAL 85 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3kla h VAL 85 Cb 1.25 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3kla h VAL 85 CO 0.35 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.26 3kla n THR 86 N -3.98 0.24 -3.85 3.17 -2.24 -1.26 -4.73 114.28 101.62 3kla n THR 86 Ca 0.00 -0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3kla n THR 86 Cb 0.24 -0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 3kla n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kla s LEU 87 N -3.26 3.31 0.37 3.22 1.43 -0.42 -4.98 118.68 118.34 3kla s LEU 87 Ca 0.12 -0.23 0.12 0.00 -1.03 0.00 0.00 54.13 53.11 3kla s LEU 87 Cb 0.16 -1.87 0.73 0.00 0.03 0.00 0.00 46.19 45.24 3kla s LEU 87 CO 0.50 -0.01 1.84 0.77 0.23 0.00 0.00 176.35 179.69 3kla h SER 88 N 8.02 0.06 -5.05 2.29 4.64 -1.85 -3.43 113.55 118.24 3kla h SER 88 Ca -0.38 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 60.78 3kla h SER 88 Cb 1.17 -0.02 -0.19 0.00 -0.31 0.00 0.00 62.40 63.06 3kla h SER 88 CO 0.59 0.38 -0.56 0.00 -0.87 0.00 0.00 176.83 176.38 3kla s GLN 89 N -4.31 0.50 0.45 4.77 -2.07 -1.26 -5.13 119.66 112.61 3kla s GLN 89 Ca -0.03 -0.66 -0.25 0.00 -1.82 0.00 0.00 55.36 52.59 3kla s GLN 89 Cb 0.15 0.20 -0.08 0.00 -1.09 0.00 0.00 33.01 32.18 3kla s GLN 89 CO 0.73 -0.12 1.44 -2.14 -1.32 0.00 0.00 175.29 173.89 3kla s PRO 90 N -2.12 3.69 -0.22 9.60 0.02 -1.26 -4.97 135.00 139.74 3kla s PRO 90 Ca -0.09 2.45 -0.10 0.00 0.02 0.00 0.00 61.00 63.28 3kla s PRO 90 Cb -0.04 -2.67 -0.05 0.00 0.02 0.00 0.00 34.50 31.76 3kla s PRO 90 CO -0.02 -0.82 0.15 0.21 -0.33 0.00 0.00 177.00 176.19 3kla s LYS 91 N -2.44 4.14 -0.16 5.54 2.47 -0.44 -4.89 119.74 123.95 3kla s LYS 91 Ca 0.61 -0.22 -0.02 0.00 -1.56 0.00 0.00 55.97 54.77 3kla s LYS 91 Cb -0.44 -3.47 -0.02 0.00 -1.46 0.00 0.00 37.83 32.43 3kla s LYS 91 CO 0.57 0.19 -0.08 0.42 0.16 0.00 0.00 175.35 176.61 3kla s ILE 92 N 0.69 3.42 -0.18 5.43 1.01 -1.26 -0.86 121.20 129.44 3kla s ILE 92 Ca 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3kla s ILE 92 Cb -0.12 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.87 3kla s ILE 92 CO 0.01 0.49 -0.16 -0.69 0.00 0.00 0.00 174.94 174.59 3kla s VAL 93 N 0.64 2.39 0.28 2.92 1.01 -0.17 -4.97 120.40 122.50 3kla s VAL 93 Ca -0.04 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.82 3kla s VAL 93 Cb -0.15 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.12 3kla s VAL 93 CO 0.03 0.51 0.95 -0.54 0.00 0.00 0.00 175.10 176.05 3kla s LYS 94 N 1.26 4.72 0.06 2.72 1.02 -1.26 -0.83 119.74 127.43 3kla s LYS 94 Ca 0.04 1.45 -0.31 0.00 0.02 0.00 0.00 55.97 57.17 3kla s LYS 94 Cb -0.14 -3.06 -0.06 0.00 -0.52 0.00 0.00 37.83 34.05 3kla s LYS 94 CO -0.09 0.39 1.31 -0.46 -0.92 0.00 0.00 175.35 175.57 3kla s TRP 95 N -1.37 3.23 -0.24 3.18 -0.00 -0.03 -4.91 118.94 118.80 3kla s TRP 95 Ca 0.45 1.07 0.02 0.00 -0.00 0.00 0.00 56.10 57.65 3kla s TRP 95 Cb -0.23 -3.56 0.05 0.00 -0.00 0.00 0.00 33.47 29.73 3kla s TRP 95 CO 0.29 -1.90 -0.12 0.34 -0.00 0.00 0.00 176.95 175.56 3kla s ASP 96 N 1.29 4.18 0.00 5.86 -1.08 -1.26 -4.75 116.67 120.91 3kla s ASP 96 Ca 0.62 -1.25 -0.01 0.00 -0.52 0.00 0.00 52.55 51.38 3kla s ASP 96 Cb -0.32 -1.51 -0.05 0.00 -1.46 0.00 0.00 42.92 39.59 3kla s ASP 96 CO 0.28 -0.16 1.04 -2.11 0.52 0.00 0.00 175.17 174.74 3kla n ARG 97 N 4.48 0.40 0.00 4.34 1.85 -1.26 -2.11 116.66 124.36 3kla n ARG 97 Ca -0.15 -0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.53 3kla n ARG 97 Cb 0.43 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 3kla n ARG 97 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3kla n ASP 98 N 2.68 0.00 0.00 2.89 4.64 -1.26 -4.82 116.55 120.68 3kla n ASP 98 Ca 0.08 -0.88 0.00 0.00 -1.38 0.00 0.00 54.79 52.61 3kla n ASP 98 Cb 0.18 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.26 3kla n ASP 98 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61