#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kki s VAL 10 N 0.00 4.94 -0.30 2.41 1.01 -1.26 -4.88 120.40 122.32 2kki s VAL 10 Ca 0.00 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.53 2kki s VAL 10 Cb 0.00 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2kki s VAL 10 CO 0.00 0.24 0.19 -0.54 0.00 0.00 0.00 175.10 174.99 2kki s LYS 11 N 0.71 3.68 -0.35 2.72 1.02 -1.26 -5.03 119.74 121.23 2kki s LYS 11 Ca 0.42 -0.50 -0.08 0.00 0.02 0.00 0.00 55.97 55.82 2kki s LYS 11 Cb -0.19 -3.66 0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2kki s LYS 11 CO 0.22 -0.30 0.14 1.52 -0.92 0.00 0.00 175.35 176.01 2kki s TYR 12 N 1.71 3.24 -0.40 3.18 -0.85 -1.26 0.34 117.35 123.31 2kki s TYR 12 Ca 0.06 -1.19 -0.02 0.00 -0.52 0.00 0.00 57.07 55.41 2kki s TYR 12 Cb -0.17 -2.34 0.11 0.00 0.38 0.00 0.00 41.96 39.95 2kki s TYR 12 CO 0.09 -0.68 0.17 -0.80 -1.52 0.00 0.00 175.55 172.82 2kki s ASN 13 N 1.47 5.17 -0.18 -0.18 0.02 -1.00 -4.57 114.94 115.67 2kki s ASN 13 Ca 0.00 -2.04 -0.19 0.00 -1.02 0.00 0.00 52.86 49.61 2kki s ASN 13 Cb -0.19 -1.79 -0.03 0.00 0.02 0.00 0.00 41.25 39.25 2kki s ASN 13 CO 0.04 -0.51 0.54 0.12 0.02 0.00 0.00 177.10 177.31 2kki s PHE 14 N 1.10 3.40 -0.00 2.20 5.36 0.07 -3.75 117.98 126.36 2kki s PHE 14 Ca 0.08 0.84 -0.00 0.00 -0.96 0.00 0.00 56.93 56.89 2kki s PHE 14 Cb -0.22 -2.68 -0.00 0.00 -0.34 0.00 0.00 43.02 39.78 2kki s PHE 14 CO -0.05 -0.07 -0.01 -0.12 -1.46 0.00 0.00 175.22 173.52 2kki n MET 15 N 4.62 0.01 -3.58 10.12 0.00 -0.97 -3.12 117.12 124.20 2kki n MET 15 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.70 57.56 2kki n MET 15 Cb 0.50 -0.25 -0.05 0.00 0.00 0.00 0.00 33.22 33.42 2kki n MET 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 2kki s ARG 16 N -1.07 0.56 -0.34 2.12 1.04 -0.51 -4.95 118.95 115.81 2kki s ARG 16 Ca -0.01 0.17 -0.27 0.00 -1.04 0.00 0.00 55.73 54.58 2kki s ARG 16 Cb 0.00 0.26 0.01 0.00 -2.04 0.00 0.00 34.95 33.19 2kki s ARG 16 CO 0.01 -0.17 1.00 0.42 -0.04 0.00 0.00 175.30 176.52 2kki s ILE 17 N -1.01 4.56 0.00 4.99 1.01 -1.26 -1.71 121.20 127.78 2kki s ILE 17 Ca -0.01 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.14 2kki s ILE 17 Cb -0.01 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2kki s ILE 17 CO 0.01 -0.48 0.00 -0.38 0.00 0.00 0.00 174.94 174.08 2kki n ILE 18 N 5.89 0.00 -4.09 2.92 5.41 -1.06 -4.96 119.36 123.47 2kki n ILE 18 Ca 0.10 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.62 2kki n ILE 18 Cb 0.48 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.35 2kki n ILE 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2kki s LYS 19 N 1.99 2.66 0.11 0.38 -0.14 -1.11 -4.92 119.74 118.71 2kki s LYS 19 Ca 0.00 -1.26 -0.14 0.00 -1.36 0.00 0.00 55.97 53.22 2kki s LYS 19 Cb 0.00 -2.40 0.02 0.00 -1.68 0.00 0.00 37.83 33.77 2kki s LYS 19 CO 0.00 0.29 0.33 1.52 -0.76 0.00 0.00 175.35 176.73 2kki s TYR 20 N -2.25 -0.08 -1.46 3.18 1.13 -1.26 -0.87 117.35 115.73 2kki s TYR 20 Ca 0.35 -0.27 -0.08 0.00 -1.41 0.00 0.00 57.07 55.66 2kki s TYR 20 Cb -0.06 0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.97 2kki s TYR 20 CO 0.24 -0.64 0.89 0.39 -2.51 0.00 0.00 175.55 173.91 2kki n GLU 21 N -0.15 -6.19 -4.11 -3.49 1.02 -0.85 -4.96 120.64 101.89 2kki n GLU 21 Ca -0.16 0.82 -0.24 0.00 -0.02 0.00 0.00 57.16 57.56 2kki n GLU 21 Cb 0.63 -5.76 -0.05 0.00 -0.02 0.00 0.00 31.44 26.24 2kki n GLU 21 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2kki s PHE 22 N -3.24 3.10 -0.10 -0.32 0.08 -1.22 -4.93 117.98 111.35 2kki s PHE 22 Ca 0.47 -0.08 -0.11 0.00 0.12 0.00 0.00 56.93 57.33 2kki s PHE 22 Cb -0.21 -1.43 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 2kki s PHE 22 CO 0.58 0.52 0.25 0.42 -0.10 0.00 0.00 175.22 176.90 2kki s ILE 23 N -1.99 5.32 -0.24 0.64 -1.09 -0.27 -2.54 121.20 121.02 2kki s ILE 23 Ca 0.32 0.46 -0.13 0.00 -2.23 0.00 0.00 60.65 59.07 2kki s ILE 23 Cb -0.09 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2kki s ILE 23 CO 0.24 0.54 0.26 -0.22 -1.23 0.00 0.00 174.94 174.54 2kki s LEU 24 N -0.61 4.09 0.01 2.97 0.20 -1.26 -1.05 118.68 123.02 2kki s LEU 24 Ca 0.17 0.22 0.05 0.00 0.69 0.00 0.00 54.13 55.26 2kki s LEU 24 Cb -0.13 -2.27 -0.02 0.00 -0.43 0.00 0.00 46.19 43.34 2kki s LEU 24 CO 0.06 -0.04 -0.15 0.21 -0.29 0.00 0.00 176.35 176.14 2kki s ASN 25 N 1.31 1.73 0.67 3.68 3.04 -1.01 -1.61 114.94 122.74 2kki s ASN 25 Ca 0.12 -0.34 -0.00 0.00 0.04 0.00 0.00 52.86 52.67 2kki s ASN 25 Cb -0.15 -0.16 0.11 0.00 -1.54 0.00 0.00 41.25 39.51 2kki s ASN 25 CO 0.08 0.13 0.79 -0.90 -3.04 0.00 0.00 177.10 174.15 2kki n ASP 26 N 2.41 1.05 0.25 -4.21 5.68 -1.23 0.67 116.55 121.17 2kki n ASP 26 Ca -0.16 -1.89 0.16 0.00 -0.50 0.00 0.00 54.79 52.41 2kki n ASP 26 Cb 0.55 -0.51 0.67 0.00 -1.14 0.00 0.00 41.12 40.69 2kki n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kki h ALA 27 N -0.59 1.00 0.00 2.12 0.00 -1.85 0.31 119.26 120.26 2kki h ALA 27 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kki h ALA 27 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2kki h ALA 27 CO 0.28 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.81 2kki n LEU 28 N -2.92 0.52 -3.39 0.00 4.77 -1.26 -4.94 117.00 109.77 2kki n LEU 28 Ca 0.01 0.58 -0.17 0.00 -0.03 0.00 0.00 56.01 56.39 2kki n LEU 28 Cb 0.28 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2kki n LEU 28 CO 0.25 -0.27 -0.02 0.59 -1.33 0.00 0.00 177.39 176.61 2kki n ASN 29 N -2.01 -6.31 -3.81 -1.43 3.02 0.11 -4.98 115.26 99.85 2kki n ASN 29 Ca 0.05 -0.35 -0.28 0.00 -0.03 0.00 0.00 54.58 53.97 2kki n ASN 29 Cb 0.32 -3.32 -0.16 0.00 -0.61 0.00 0.00 39.78 36.01 2kki n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2kki s GLN 30 N -3.61 0.98 -0.01 3.52 -1.52 -1.26 -3.95 119.66 113.80 2kki s GLN 30 Ca 0.10 -0.48 -0.30 0.00 -1.95 0.00 0.00 55.36 52.73 2kki s GLN 30 Cb -0.02 -2.05 -0.06 0.00 -0.22 0.00 0.00 33.01 30.67 2kki s GLN 30 CO 0.83 -0.55 1.55 -1.12 -0.25 0.00 0.00 175.29 175.75 2kki s SER 31 N 1.75 6.73 -0.57 5.90 0.01 0.11 -3.56 113.70 124.06 2kki s SER 31 Ca -0.01 2.22 -0.27 0.00 1.31 0.00 0.00 55.95 59.20 2kki s SER 31 Cb -0.16 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.52 2kki s SER 31 CO -0.07 -0.84 1.61 -0.51 0.41 0.00 0.00 173.24 173.84 2kki s ILE 32 N 3.14 3.59 0.20 1.44 2.07 -0.63 -0.69 121.20 130.32 2kki s ILE 32 Ca 0.69 0.46 0.04 0.00 -1.41 0.00 0.00 60.65 60.43 2kki s ILE 32 Cb -0.33 -4.20 -0.03 0.00 0.13 0.00 0.00 42.46 38.02 2kki s ILE 32 CO 0.28 -1.04 0.32 -0.63 -1.91 0.00 0.00 174.94 171.96 2kki s ILE 33 N 7.20 5.26 -0.31 2.00 1.01 -0.71 -2.54 121.20 133.11 2kki s ILE 33 Ca 0.59 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 2kki s ILE 33 Cb -0.13 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.56 2kki s ILE 33 CO 0.24 -0.22 1.20 0.00 0.00 0.00 0.00 174.94 176.16 2kki s ARG 34 N -3.63 3.97 -0.09 2.79 1.70 -1.26 -2.32 118.95 120.11 2kki s ARG 34 Ca 0.34 1.15 0.04 0.00 -0.47 0.00 0.00 55.73 56.80 2kki s ARG 34 Cb -0.10 -3.82 -0.24 0.00 -0.57 0.00 0.00 34.95 30.22 2kki s ARG 34 CO 0.29 -1.04 0.50 0.00 -1.08 0.00 0.00 175.30 173.97 2kki n ALA 35 N 7.31 1.23 -2.73 7.88 0.00 -1.14 -4.91 120.51 128.14 2kki n ALA 35 Ca 0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 2kki n ALA 35 Cb 0.47 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 19.11 2kki n ALA 35 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kki s ASN 36 N -6.49 0.03 0.00 0.00 2.47 0.21 -4.99 114.94 106.18 2kki s ASN 36 Ca -0.13 -0.96 0.21 0.00 0.42 0.00 0.00 52.86 52.40 2kki s ASN 36 Cb 0.07 0.46 1.08 0.00 -1.45 0.00 0.00 41.25 41.41 2kki s ASN 36 CO 0.80 -0.94 1.68 -0.90 -3.72 0.00 0.00 177.10 174.02 2kki n ASP 37 N -0.26 0.00 0.00 -4.21 5.75 -1.26 -3.07 116.55 113.50 2kki n ASP 37 Ca -0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 2kki n ASP 37 Cb 0.63 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 2kki n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kki n GLN 38 N -1.28 1.24 -4.89 0.11 10.64 -1.26 -4.83 117.38 117.11 2kki n GLN 38 Ca 0.10 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.01 2kki n GLN 38 Cb 0.17 -0.90 -0.15 0.00 -0.86 0.00 0.00 30.24 28.50 2kki n GLN 38 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2kki s TYR 39 N -1.60 1.83 -0.04 2.61 2.02 -1.18 -3.15 117.35 117.85 2kki s TYR 39 Ca 0.00 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 2kki s TYR 39 Cb 0.00 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2kki s TYR 39 CO 0.00 0.01 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.60 2kki s LEU 40 N -0.70 2.02 -0.03 -1.29 2.96 -1.26 -0.61 118.68 119.76 2kki s LEU 40 Ca 0.08 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 2kki s LEU 40 Cb -0.08 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.42 2kki s LEU 40 CO 0.00 0.23 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.27 2kki s THR 41 N -0.24 0.86 0.07 3.68 2.01 -0.98 -0.33 115.64 120.71 2kki s THR 41 Ca 0.01 -0.40 -0.17 0.00 0.31 0.00 0.00 61.69 61.44 2kki s THR 41 Cb -0.11 -0.76 -0.06 0.00 0.01 0.00 0.00 72.50 71.57 2kki s THR 41 CO 0.02 0.27 0.52 0.00 -0.69 0.00 0.00 174.62 174.73 2kki s ALA 42 N 0.21 3.62 -0.12 7.40 0.00 -1.25 -1.73 121.76 129.89 2kki s ALA 42 Ca -0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 2kki s ALA 42 Cb -0.09 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.53 2kki s ALA 42 CO 0.01 0.44 0.31 0.00 0.00 0.00 0.00 175.76 176.51 2kki s ALA 43 N -1.17 -0.75 0.03 0.00 0.00 0.13 -4.58 121.76 115.43 2kki s ALA 43 Ca 0.29 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 2kki s ALA 43 Cb -0.18 -0.65 -0.10 0.00 0.00 0.00 0.00 23.12 22.19 2kki s ALA 43 CO 0.17 -0.19 1.94 0.00 0.00 0.00 0.00 175.76 177.68 2kki n ALA 44 N 3.73 1.58 -1.79 0.00 0.00 -1.25 0.03 120.51 122.81 2kki n ALA 44 Ca -0.20 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 2kki n ALA 44 Cb 0.55 -2.64 -0.01 0.00 0.00 0.00 0.00 19.45 17.36 2kki n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kki s LEU 45 N 4.08 3.46 0.00 0.00 2.01 -1.26 -4.79 118.68 122.18 2kki s LEU 45 Ca 0.88 1.59 0.00 0.00 0.01 0.00 0.00 54.13 56.61 2kki s LEU 45 Cb -0.48 -4.50 0.00 0.00 0.01 0.00 0.00 46.19 41.21 2kki s LEU 45 CO 0.43 -0.85 0.00 0.00 1.01 0.00 0.00 176.35 176.94 2kki n HIS 46 N -2.08 0.00 1.18 0.29 1.44 -1.26 -4.62 115.22 110.17 2kki n HIS 46 Ca 0.07 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.90 2kki n HIS 46 Cb 0.54 0.00 0.24 0.00 0.12 0.00 0.00 29.99 30.89 2kki n HIS 46 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2kki n ASN 47 N -0.18 2.06 0.00 4.39 5.15 -1.26 -5.00 115.26 120.43 2kki n ASN 47 Ca 0.00 -1.58 0.00 0.00 -0.60 0.00 0.00 54.58 52.40 2kki n ASN 47 Cb 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 2kki n ASN 47 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2kki n LEU 48 N 0.41 0.00 -4.50 1.20 4.77 -1.26 -3.92 117.00 113.70 2kki n LEU 48 Ca 0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 2kki n LEU 48 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2kki n LEU 48 CO 0.20 0.00 1.34 -0.62 -1.33 0.00 0.00 177.39 176.98 2kki s ASP 49 N -0.27 6.75 0.00 -1.43 2.15 -1.26 -4.10 116.67 118.50 2kki s ASP 49 Ca 0.00 -2.22 0.00 0.00 0.43 0.00 0.00 52.55 50.76 2kki s ASP 49 Cb 0.00 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2kki s ASP 49 CO 0.00 -1.09 0.00 1.21 -0.17 0.00 0.00 175.17 175.12 2kki n GLU 50 N 7.10 0.62 -1.76 4.34 2.13 -1.26 -5.07 120.64 126.74 2kki n GLU 50 Ca 0.33 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.84 2kki n GLU 50 Cb 0.47 -0.22 0.03 0.00 0.27 0.00 0.00 31.44 32.00 2kki n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kki s ALA 51 N -0.77 2.88 0.06 4.31 0.00 -1.26 -4.97 121.76 122.01 2kki s ALA 51 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 2kki s ALA 51 Cb 0.00 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 2kki s ALA 51 CO 0.00 -1.01 1.35 0.14 0.00 0.00 0.00 175.76 176.24 2kki s VAL 52 N -3.18 3.61 -0.15 0.00 -7.23 -1.05 -4.87 120.40 107.53 2kki s VAL 52 Ca 0.57 1.11 -0.14 0.00 -1.81 0.00 0.00 61.98 61.71 2kki s VAL 52 Cb -0.12 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.06 2kki s VAL 52 CO 0.54 0.06 0.31 -1.59 -0.31 0.00 0.00 175.10 174.10 2kki s LYS 53 N 1.53 4.23 0.35 4.82 -2.85 -1.26 -4.32 119.74 122.23 2kki s LYS 53 Ca 0.63 0.13 0.07 0.00 -1.00 0.00 0.00 55.97 55.79 2kki s LYS 53 Cb -0.33 -3.41 -0.01 0.00 -2.06 0.00 0.00 37.83 32.02 2kki s LYS 53 CO 0.29 0.27 0.46 -0.06 0.10 0.00 0.00 175.35 176.40 2kki s PHE 54 N 0.37 3.04 -0.04 1.78 0.40 -1.05 -0.01 117.98 122.47 2kki s PHE 54 Ca 0.17 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 2kki s PHE 54 Cb -0.13 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.40 2kki s PHE 54 CO 0.05 -0.04 -0.02 -0.51 0.70 0.00 0.00 175.22 175.40 2kki s ASP 55 N -4.17 0.88 -0.07 1.36 1.01 0.15 -2.02 116.67 113.82 2kki s ASP 55 Ca 0.46 -0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.65 2kki s ASP 55 Cb -0.09 -0.37 -0.03 0.00 1.01 0.00 0.00 42.92 43.45 2kki s ASP 55 CO 0.31 -0.10 -0.08 -0.04 0.21 0.00 0.00 175.17 175.47 2kki s MET 56 N 1.14 2.77 -0.03 8.23 -1.94 -0.05 -2.61 119.30 126.81 2kki s MET 56 Ca -0.08 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 2kki s MET 56 Cb -0.14 -2.57 0.03 0.00 2.01 0.00 0.00 34.83 34.16 2kki s MET 56 CO -0.01 0.62 0.01 0.20 -0.01 0.00 0.00 175.02 175.83 2kki s GLY 57 N -0.70 0.21 0.14 -0.03 0.00 -1.23 -2.57 107.32 103.14 2kki s GLY 57 Ca 0.11 0.20 -0.23 0.00 0.00 0.00 0.00 44.72 44.79 2kki s GLY 57 CO 0.01 0.66 0.70 0.00 0.00 0.00 0.00 173.10 174.48 2kki s ALA 58 N 1.09 3.49 0.08 3.20 0.00 -0.69 -1.19 121.76 127.75 2kki s ALA 58 Ca -0.09 0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.17 2kki s ALA 58 Cb -0.13 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 2kki s ALA 58 CO -0.02 0.33 -0.17 0.71 0.00 0.00 0.00 175.76 176.61 2kki s TYR 59 N -1.17 1.46 -0.05 0.00 2.02 0.10 -1.42 117.35 118.29 2kki s TYR 59 Ca 0.34 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.58 2kki s TYR 59 Cb -0.21 -0.81 0.04 0.00 -0.40 0.00 0.00 41.96 40.58 2kki s TYR 59 CO 0.23 0.12 0.10 0.21 -1.57 0.00 0.00 175.55 174.64 2kki s LYS 60 N -1.82 -0.01 0.05 -0.62 2.47 -1.18 -4.13 119.74 114.50 2kki s LYS 60 Ca 0.02 0.38 -0.04 0.00 -1.56 0.00 0.00 55.97 54.76 2kki s LYS 60 Cb -0.10 -0.32 -0.02 0.00 -1.46 0.00 0.00 37.83 35.93 2kki s LYS 60 CO 0.03 -0.25 0.06 -1.12 0.16 0.00 0.00 175.35 174.23 2kki s SER 61 N 1.72 0.28 -0.31 1.43 0.01 -1.26 -3.70 113.70 111.87 2kki s SER 61 Ca -0.02 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 2kki s SER 61 Cb -0.12 0.23 0.05 0.00 0.21 0.00 0.00 66.02 66.39 2kki s SER 61 CO -0.04 -0.57 2.64 -1.20 0.41 0.00 0.00 173.24 174.48 2kki n SER 62 N 0.44 6.19 -1.51 2.44 7.64 -1.26 -3.76 113.62 123.80 2kki n SER 62 Ca -0.17 -2.99 -0.06 0.00 1.01 0.00 0.00 58.87 56.66 2kki n SER 62 Cb 0.60 -1.20 0.10 0.00 -1.01 0.00 0.00 64.21 62.69 2kki n SER 62 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kki n LYS 63 N 1.03 2.19 0.00 1.43 0.00 -1.26 -5.03 118.16 116.52 2kki n LYS 63 Ca 0.39 -3.50 0.00 0.00 0.00 0.00 0.00 58.31 55.20 2kki n LYS 63 Cb 0.62 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.97 2kki n LYS 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kki n ASP 64 N -0.71 0.00 0.00 3.14 8.00 -1.25 -5.08 116.55 120.65 2kki n ASP 64 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2kki n ASP 64 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 2kki n ASP 64 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kki n ASP 65 N 0.00 0.00 -0.30 -2.24 2.03 -1.26 -4.93 116.55 109.84 2kki n ASP 65 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 2kki n ASP 65 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2kki n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kki n ALA 66 N -1.74 2.04 -3.09 -1.67 0.00 -1.26 -5.10 120.51 109.69 2kki n ALA 66 Ca 0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 53.44 51.77 2kki n ALA 66 Cb 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 2kki n ALA 66 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kki s LYS 67 N -1.05 0.30 0.04 0.00 1.02 -1.26 -5.16 119.74 113.63 2kki s LYS 67 Ca 0.11 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.22 2kki s LYS 67 Cb 0.10 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 2kki s LYS 67 CO 0.01 -0.05 0.09 0.96 -0.92 0.00 0.00 175.35 175.44 2kki s ILE 68 N -0.27 4.69 -0.10 2.17 -4.36 -1.26 -4.73 121.20 117.34 2kki s ILE 68 Ca -0.04 -0.58 -0.01 0.00 -0.26 0.00 0.00 60.65 59.77 2kki s ILE 68 Cb -0.03 -3.21 -0.03 0.00 1.25 0.00 0.00 42.46 40.44 2kki s ILE 68 CO 0.01 0.22 -0.06 0.28 0.24 0.00 0.00 174.94 175.63 2kki s THR 69 N -1.31 3.78 0.30 8.37 -1.32 -1.25 -3.48 115.64 120.72 2kki s THR 69 Ca 0.27 -0.43 0.10 0.00 -1.21 0.00 0.00 61.69 60.41 2kki s THR 69 Cb -0.12 -2.58 -0.06 0.00 -1.51 0.00 0.00 72.50 68.23 2kki s THR 69 CO 0.19 0.57 -0.13 0.68 -2.21 0.00 0.00 174.62 173.72 2kki s VAL 70 N -0.44 2.16 -0.15 5.08 -7.23 0.09 -0.72 120.40 119.18 2kki s VAL 70 Ca 0.07 -2.26 -0.06 0.00 -1.81 0.00 0.00 61.98 57.92 2kki s VAL 70 Cb -0.12 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2kki s VAL 70 CO 0.02 -0.33 0.05 0.27 -0.31 0.00 0.00 175.10 174.80 2kki s ILE 71 N -2.69 4.68 -0.31 -0.62 -5.25 -0.33 -2.50 121.20 114.18 2kki s ILE 71 Ca 0.30 -0.09 -0.09 0.00 -0.99 0.00 0.00 60.65 59.79 2kki s ILE 71 Cb -0.00 -3.06 -0.00 0.00 2.95 0.00 0.00 42.46 42.35 2kki s ILE 71 CO 0.14 0.52 0.13 -0.22 -1.79 0.00 0.00 174.94 173.72 2kki s LEU 72 N -0.11 4.04 0.03 0.37 2.96 -1.26 -3.48 118.68 121.23 2kki s LEU 72 Ca 0.06 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2kki s LEU 72 Cb -0.12 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 2kki s LEU 72 CO 0.01 -0.20 -0.08 0.00 -1.32 0.00 0.00 176.35 174.77 2kki s ARG 73 N 1.58 0.53 -0.14 1.98 1.70 -1.07 -3.36 118.95 120.16 2kki s ARG 73 Ca 0.04 -0.61 -0.23 0.00 -0.47 0.00 0.00 55.73 54.45 2kki s ARG 73 Cb -0.17 -0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 33.81 2kki s ARG 73 CO 0.05 0.08 0.72 0.96 -1.08 0.00 0.00 175.30 176.03 2kki s ILE 74 N -1.01 4.98 0.61 4.99 -4.36 -1.25 0.35 121.20 125.52 2kki s ILE 74 Ca -0.06 1.43 0.27 0.00 -0.26 0.00 0.00 60.65 62.03 2kki s ILE 74 Cb -0.08 -4.04 0.34 0.00 1.25 0.00 0.00 42.46 39.93 2kki s ILE 74 CO 0.00 0.13 1.75 -1.28 0.24 0.00 0.00 174.94 175.78 2kki h SER 75 N 7.17 0.00 0.00 4.36 0.87 -0.72 -3.20 113.55 122.02 2kki h SER 75 Ca -0.34 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 2kki h SER 75 Cb 1.16 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2kki h SER 75 CO 0.79 0.00 -0.12 0.50 -0.53 0.00 0.00 176.83 177.47 2kki h LYS 76 N 0.00 0.00 -5.76 2.24 3.64 -1.92 -3.47 116.57 111.30 2kki h LYS 76 Ca 0.21 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.99 2kki h LYS 76 Cb 1.42 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.15 2kki h LYS 76 CO -0.00 0.12 -0.49 -0.08 -2.27 0.00 0.00 179.45 176.72 2kki s THR 77 N -1.76 2.01 -1.13 1.00 -1.32 -1.21 -5.05 115.64 108.18 2kki s THR 77 Ca -0.05 -1.77 -0.07 0.00 -1.21 0.00 0.00 61.69 58.59 2kki s THR 77 Cb 0.00 -2.78 0.27 0.00 -1.51 0.00 0.00 72.50 68.48 2kki s THR 77 CO 0.12 0.00 1.48 0.00 -2.21 0.00 0.00 174.62 174.01 2kki n GLN 78 N -1.26 4.07 -3.57 7.08 0.00 -1.26 -4.37 117.38 118.07 2kki n GLN 78 Ca -0.04 -4.31 -0.37 0.00 0.00 0.00 0.00 57.00 52.28 2kki n GLN 78 Cb 0.65 -2.63 -0.09 0.00 0.00 0.00 0.00 30.24 28.17 2kki n GLN 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kki s LEU 79 N -1.73 4.11 -0.08 2.61 1.43 -1.26 -3.64 118.68 120.13 2kki s LEU 79 Ca 0.33 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.59 2kki s LEU 79 Cb 0.02 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2kki s LEU 79 CO 0.04 0.00 0.12 -0.47 0.23 0.00 0.00 176.35 176.28 2kki s TYR 80 N 1.26 3.49 -0.27 0.29 5.04 0.16 -3.75 117.35 123.56 2kki s TYR 80 Ca 0.11 0.41 -0.22 0.00 -2.44 0.00 0.00 57.07 54.92 2kki s TYR 80 Cb -0.14 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 40.29 2kki s TYR 80 CO 0.06 0.66 0.72 0.08 -1.34 0.00 0.00 175.55 175.73 2kki s VAL 81 N -1.10 4.90 -0.03 3.14 1.01 -1.21 -1.13 120.40 125.97 2kki s VAL 81 Ca 0.18 1.22 -0.04 0.00 0.00 0.00 0.00 61.98 63.34 2kki s VAL 81 Cb -0.12 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2kki s VAL 81 CO 0.08 -0.08 0.19 0.28 0.00 0.00 0.00 175.10 175.57 2kki s THR 82 N 2.71 5.42 -0.27 3.92 -1.32 -0.61 -2.28 115.64 123.22 2kki s THR 82 Ca 0.30 -0.01 -0.10 0.00 -1.21 0.00 0.00 61.69 60.66 2kki s THR 82 Cb -0.15 -3.52 -0.05 0.00 -1.51 0.00 0.00 72.50 67.28 2kki s THR 82 CO 0.09 0.40 0.17 0.00 -2.21 0.00 0.00 174.62 173.08 2kki s ALA 83 N -1.25 3.50 0.00 11.08 0.00 -1.08 -3.06 121.76 130.95 2kki s ALA 83 Ca 0.25 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2kki s ALA 83 Cb -0.13 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.59 2kki s ALA 83 CO 0.15 -0.48 0.00 0.94 0.00 0.00 0.00 175.76 176.37 2kki n GLN 84 N 4.90 0.00 -3.47 0.00 -0.06 -1.26 -4.96 117.38 112.54 2kki n GLN 84 Ca -0.14 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.69 2kki n GLN 84 Cb 0.52 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.58 2kki n GLN 84 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2kki s ASP 85 N -1.00 1.10 0.75 1.69 2.15 -1.26 -4.87 116.67 115.24 2kki s ASP 85 Ca 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.88 2kki s ASP 85 Cb 0.00 0.55 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 2kki s ASP 85 CO 0.00 -0.32 0.00 1.21 -0.17 0.00 0.00 175.17 175.89 2kki n GLU 86 N 5.33 0.00 -2.23 4.34 4.07 -1.17 -3.49 120.64 127.49 2kki n GLU 86 Ca -0.05 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.68 2kki n GLU 86 Cb 0.50 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.85 2kki n GLU 86 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kki n ASP 87 N 0.42 3.98 -3.67 4.31 2.03 -0.92 -2.74 116.55 119.96 2kki n ASP 87 Ca 0.00 -2.81 -0.11 0.00 0.52 0.00 0.00 54.79 52.38 2kki n ASP 87 Cb 0.00 -1.70 -0.12 0.00 -0.72 0.00 0.00 41.12 38.58 2kki n ASP 87 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2kki s GLN 88 N 5.10 0.23 0.58 -0.67 2.00 -1.23 -4.88 119.66 120.79 2kki s GLN 88 Ca 0.59 0.84 -0.20 0.00 -2.00 0.00 0.00 55.36 54.59 2kki s GLN 88 Cb 0.03 0.09 -0.04 0.00 0.80 0.00 0.00 33.01 33.90 2kki s GLN 88 CO 0.09 -0.26 1.32 -0.35 -0.50 0.00 0.00 175.29 175.60 2kki n PRO 89 N 5.21 1.46 -1.78 1.67 -0.04 -1.26 -3.43 135.00 136.84 2kki n PRO 89 Ca -0.09 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.49 2kki n PRO 89 Cb 0.50 -2.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 2kki n PRO 89 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2kki s VAL 90 N -1.33 2.42 0.03 0.52 -7.23 -0.72 -4.74 120.40 109.35 2kki s VAL 90 Ca 0.76 0.15 -0.04 0.00 -1.81 0.00 0.00 61.98 61.04 2kki s VAL 90 Cb -0.40 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 2kki s VAL 90 CO 0.46 0.01 0.25 -0.76 -0.31 0.00 0.00 175.10 174.74 2kki s LEU 91 N 1.90 4.36 -0.58 1.32 1.43 -1.17 -4.77 118.68 121.17 2kki s LEU 91 Ca 0.76 0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 54.11 2kki s LEU 91 Cb -0.46 -2.78 0.08 0.00 0.03 0.00 0.00 46.19 43.06 2kki s LEU 91 CO 0.33 0.22 0.75 -0.76 0.23 0.00 0.00 176.35 177.12 2kki s LEU 92 N -2.04 4.98 -0.24 1.79 1.43 -1.19 -1.57 118.68 121.85 2kki s LEU 92 Ca 0.30 -1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.10 2kki s LEU 92 Cb -0.13 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 2kki s LEU 92 CO 0.20 -1.12 0.57 -0.75 0.23 0.00 0.00 176.35 175.47 2kki s LYS 93 N 3.02 4.12 -0.74 1.70 2.47 -0.28 -4.85 119.74 125.18 2kki s LYS 93 Ca 0.16 0.45 -0.17 0.00 -1.56 0.00 0.00 55.97 54.84 2kki s LYS 93 Cb -0.20 -3.62 0.15 0.00 -1.46 0.00 0.00 37.83 32.69 2kki s LYS 93 CO 0.10 -0.31 0.82 -2.00 0.16 0.00 0.00 175.35 174.11 2kki s GLU 94 N 2.18 3.34 -0.23 4.03 2.12 -1.26 0.36 118.70 129.24 2kki s GLU 94 Ca 0.24 -1.78 -0.00 0.00 0.36 0.00 0.00 54.97 53.79 2kki s GLU 94 Cb -0.16 -4.47 0.03 0.00 0.26 0.00 0.00 34.13 29.79 2kki s GLU 94 CO 0.09 -1.52 -0.11 1.41 -0.54 0.00 0.00 175.26 174.60 2kki s MET 95 N 1.90 2.83 0.09 4.30 1.75 -1.24 -4.97 119.30 123.96 2kki s MET 95 Ca 0.18 -0.97 -0.31 0.00 -1.25 0.00 0.00 55.69 53.35 2kki s MET 95 Cb -0.16 -2.85 -0.07 0.00 2.84 0.00 0.00 34.83 34.59 2kki s MET 95 CO -0.02 -0.36 1.33 -1.25 -0.65 0.00 0.00 175.02 174.07 2kki s PRO 96 N 1.29 4.36 0.22 4.11 0.04 -1.26 -4.70 135.00 139.06 2kki s PRO 96 Ca 0.01 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2kki s PRO 96 Cb -0.16 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2kki s PRO 96 CO -0.07 -0.39 0.00 -1.91 0.04 0.00 0.00 177.00 174.68 2kki n GLU 97 N 4.03 -2.46 -2.61 4.56 2.13 -1.26 -4.93 120.64 120.10 2kki n GLU 97 Ca 0.11 1.80 -0.42 0.00 0.66 0.00 0.00 57.16 59.30 2kki n GLU 97 Cb 0.44 -2.00 -0.03 0.00 0.27 0.00 0.00 31.44 30.12 2kki n GLU 97 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2kki s ILE 98 N -2.03 4.60 0.35 6.31 -1.09 -1.26 -5.01 121.20 123.07 2kki s ILE 98 Ca 0.00 1.88 -0.27 0.00 -2.23 0.00 0.00 60.65 60.02 2kki s ILE 98 Cb 0.00 -4.20 -0.09 0.00 -1.58 0.00 0.00 42.46 36.58 2kki s ILE 98 CO 0.00 0.08 1.17 -2.16 -1.23 0.00 0.00 174.94 172.80 2kki s PRO 99 N 1.53 4.30 0.00 2.79 0.04 -1.26 -4.89 135.00 137.50 2kki s PRO 99 Ca 0.53 1.90 0.22 0.00 0.04 0.00 0.00 61.00 63.68 2kki s PRO 99 Cb -0.22 -2.91 -0.19 0.00 0.04 0.00 0.00 34.50 31.22 2kki s PRO 99 CO 0.24 -0.13 0.80 0.36 0.04 0.00 0.00 177.00 178.32 2kki n LYS 100 N 0.55 0.28 -3.70 4.56 0.00 -1.26 -4.80 118.16 113.79 2kki n LYS 100 Ca 0.02 -0.06 -0.26 0.00 -0.00 0.00 0.00 58.31 58.00 2kki n LYS 100 Cb 0.45 -1.53 -0.17 0.00 -0.00 0.00 0.00 35.03 33.78 2kki n LYS 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2kki s THR 101 N -3.21 0.30 -0.41 0.58 2.01 -1.25 -0.75 115.64 112.90 2kki s THR 101 Ca 0.02 -0.32 -0.12 0.00 0.31 0.00 0.00 61.69 61.58 2kki s THR 101 Cb 0.15 -0.80 0.05 0.00 0.01 0.00 0.00 72.50 71.91 2kki s THR 101 CO 0.87 -0.15 0.28 -0.51 -0.69 0.00 0.00 174.62 174.41 2kki s ILE 102 N 1.97 4.76 -0.08 1.82 -1.16 0.15 -4.64 121.20 124.02 2kki s ILE 102 Ca 0.01 -1.00 0.02 0.00 -0.51 0.00 0.00 60.65 59.17 2kki s ILE 102 Cb -0.16 -3.76 0.01 0.00 0.61 0.00 0.00 42.46 39.16 2kki s ILE 102 CO -0.08 -0.39 -0.13 0.28 -2.81 0.00 0.00 174.94 171.81 2kki s THR 103 N 1.56 1.26 0.00 4.00 -1.32 -1.11 -4.13 115.64 115.89 2kki s THR 103 Ca 0.03 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2kki s THR 103 Cb -0.21 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.63 2kki s THR 103 CO 0.06 0.39 0.00 0.61 -2.21 0.00 0.00 174.62 173.47 2kki n GLY 104 N 3.94 0.00 0.31 6.08 0.00 -1.26 -3.05 105.19 111.21 2kki n GLY 104 Ca -0.21 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.01 2kki n GLY 104 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kki h SER 105 N 0.00 0.00 -0.01 1.61 0.87 -2.00 -2.63 113.55 111.39 2kki h SER 105 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kki h SER 105 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kki h SER 105 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 2kki n GLU 106 N -3.08 1.03 0.01 2.24 -0.58 -1.17 -3.96 120.64 115.14 2kki n GLU 106 Ca -0.01 -0.05 0.06 0.00 -0.42 0.00 0.00 57.16 56.74 2kki n GLU 106 Cb 0.19 -1.29 0.26 0.00 -0.57 0.00 0.00 31.44 30.03 2kki n GLU 106 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2kki n THR 107 N -0.74 1.22 -0.14 2.62 5.66 -0.99 -2.16 114.28 119.76 2kki n THR 107 Ca 0.14 0.32 -0.07 0.00 -3.05 0.00 0.00 64.05 61.39 2kki n THR 107 Cb 0.08 -1.15 0.09 0.00 -1.55 0.00 0.00 70.33 67.80 2kki n THR 107 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2kki h ASN 108 N 0.00 0.87 -0.67 1.09 2.35 -1.82 -3.16 115.58 114.24 2kki h ASN 108 Ca 0.00 -0.25 -0.43 0.00 -0.55 0.00 0.00 56.30 55.07 2kki h ASN 108 Cb 0.19 -0.23 -0.20 0.00 0.05 0.00 0.00 38.32 38.13 2kki h ASN 108 CO 0.00 0.97 0.55 -0.11 -1.65 0.00 0.00 177.43 177.19 2kki n LEU 109 N -4.17 6.62 -4.78 1.61 7.94 -0.92 -2.64 117.00 120.66 2kki n LEU 109 Ca 0.02 -3.50 -0.36 0.00 -1.11 0.00 0.00 56.01 51.06 2kki n LEU 109 Cb 0.35 -0.96 -0.07 0.00 0.53 0.00 0.00 43.42 43.27 2kki n LEU 109 CO 0.43 1.22 -0.18 -0.76 -1.11 0.00 0.00 177.39 177.00 2kki s LEU 110 N -2.48 4.27 -0.08 -1.96 1.43 -1.20 -4.28 118.68 114.39 2kki s LEU 110 Ca 0.42 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2kki s LEU 110 Cb 0.34 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.52 2kki s LEU 110 CO 0.01 0.26 0.16 -0.36 0.23 0.00 0.00 176.35 176.65 2kki s PHE 111 N -0.12 -0.19 -0.52 0.29 0.08 -1.04 -3.23 117.98 113.25 2kki s PHE 111 Ca 0.10 0.58 -0.25 0.00 0.12 0.00 0.00 56.93 57.49 2kki s PHE 111 Cb -0.11 -0.16 0.03 0.00 -0.57 0.00 0.00 43.02 42.21 2kki s PHE 111 CO 0.00 -0.23 0.94 0.12 -0.10 0.00 0.00 175.22 175.95 2kki s PHE 112 N 1.79 2.84 -0.41 0.36 5.36 0.40 -0.73 117.98 127.58 2kki s PHE 112 Ca -0.03 0.16 -0.20 0.00 -0.96 0.00 0.00 56.93 55.90 2kki s PHE 112 Cb -0.12 -4.04 0.02 0.00 -0.34 0.00 0.00 43.02 38.54 2kki s PHE 112 CO -0.06 -1.25 0.58 1.67 -1.46 0.00 0.00 175.22 174.69 2kki s TRP 113 N 3.89 3.11 -0.37 10.12 1.48 -1.25 -1.28 118.94 134.65 2kki s TRP 113 Ca 0.33 -0.05 -0.12 0.00 -1.06 0.00 0.00 56.10 55.21 2kki s TRP 113 Cb -0.11 -3.17 0.02 0.00 -1.16 0.00 0.00 33.47 29.05 2kki s TRP 113 CO 0.22 -0.76 0.22 -1.21 -4.06 0.00 0.00 176.95 171.36 2kki s GLU 114 N 2.60 2.99 -0.28 3.25 0.41 -0.55 -4.97 118.70 122.16 2kki s GLU 114 Ca 0.20 -0.97 -0.13 0.00 -0.41 0.00 0.00 54.97 53.66 2kki s GLU 114 Cb -0.15 -3.76 -0.04 0.00 -1.78 0.00 0.00 34.13 28.40 2kki s GLU 114 CO 0.17 -0.64 0.28 0.99 -0.49 0.00 0.00 175.26 175.57 2kki s THR 115 N 1.60 5.24 -0.34 3.63 2.01 -1.26 -0.88 115.64 125.64 2kki s THR 115 Ca 0.03 0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.40 2kki s THR 115 Cb -0.19 -3.62 0.11 0.00 0.01 0.00 0.00 72.50 68.82 2kki s THR 115 CO 0.08 0.20 0.15 -2.28 -0.69 0.00 0.00 174.62 172.07 2kki s HIS 116 N 1.92 1.52 0.00 4.92 2.46 -0.42 -5.01 115.29 120.68 2kki s HIS 116 Ca 0.11 -1.81 0.00 0.00 0.47 0.00 0.00 55.06 53.83 2kki s HIS 116 Cb -0.16 -1.58 0.00 0.00 -0.13 0.00 0.00 32.58 30.71 2kki s HIS 116 CO 0.10 -0.84 0.00 0.41 -2.47 0.00 0.00 174.74 171.94 2kki n GLY 117 N 4.48 1.47 0.14 1.59 0.00 -1.26 -2.54 105.19 109.06 2kki n GLY 117 Ca 0.02 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 2kki n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kki n THR 118 N 0.00 1.23 -1.76 2.61 -1.04 -1.26 -5.02 114.28 109.04 2kki n THR 118 Ca 0.00 -0.44 -0.29 0.00 -2.04 0.00 0.00 64.05 61.27 2kki n THR 118 Cb 0.00 -1.34 0.09 0.00 -1.82 0.00 0.00 70.33 67.26 2kki n THR 118 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2kki s LYS 119 N -2.42 2.01 -0.04 -2.82 1.02 -1.05 -3.99 119.74 112.45 2kki s LYS 119 Ca -0.29 0.31 -0.21 0.00 0.02 0.00 0.00 55.97 55.81 2kki s LYS 119 Cb 0.08 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.49 2kki s LYS 119 CO 0.48 -1.60 0.45 -0.80 -0.92 0.00 0.00 175.35 172.96 2kki s ASN 120 N -4.30 -0.37 0.24 2.83 0.01 0.16 -1.30 114.94 112.20 2kki s ASN 120 Ca 0.61 0.36 0.09 0.00 -0.71 0.00 0.00 52.86 53.21 2kki s ASN 120 Cb -0.12 0.43 -0.04 0.00 0.41 0.00 0.00 41.25 41.92 2kki s ASN 120 CO 0.51 -0.49 -0.01 -0.31 -1.51 0.00 0.00 177.10 175.30 2kki s TYR 121 N -1.19 2.72 -0.31 2.20 1.51 -0.06 -1.00 117.35 121.24 2kki s TYR 121 Ca -0.12 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 2kki s TYR 121 Cb -0.03 -1.24 0.10 0.00 -0.11 0.00 0.00 41.96 40.67 2kki s TYR 121 CO 0.06 0.59 0.09 -0.06 -1.11 0.00 0.00 175.55 175.12 2kki s PHE 122 N -2.14 1.70 0.01 2.71 0.08 -1.25 -1.48 117.98 117.61 2kki s PHE 122 Ca 0.30 -1.71 -0.20 0.00 0.12 0.00 0.00 56.93 55.43 2kki s PHE 122 Cb -0.07 -1.70 -0.06 0.00 -0.57 0.00 0.00 43.02 40.62 2kki s PHE 122 CO 0.19 -0.87 0.58 0.99 -0.10 0.00 0.00 175.22 176.02 2kki s THR 123 N 1.62 4.88 -0.03 0.64 2.01 -0.40 -0.80 115.64 123.56 2kki s THR 123 Ca 0.09 1.22 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 2kki s THR 123 Cb -0.17 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2kki s THR 123 CO -0.24 0.45 1.35 -0.44 -0.69 0.00 0.00 174.62 175.05 2kki s SER 124 N -0.40 6.90 0.40 3.53 0.01 -0.17 0.15 113.70 124.13 2kki s SER 124 Ca 0.30 2.02 0.21 0.00 1.31 0.00 0.00 55.95 59.79 2kki s SER 124 Cb -0.18 -2.56 0.70 0.00 0.21 0.00 0.00 66.02 64.19 2kki s SER 124 CO 0.17 -0.70 1.73 0.58 0.41 0.00 0.00 173.24 175.44 2kki h VAL 125 N 5.01 0.64 -0.09 3.43 2.07 -1.87 -2.11 116.25 123.32 2kki h VAL 125 Ca -0.36 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 65.71 2kki h VAL 125 Cb 1.17 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2kki h VAL 125 CO 0.90 0.28 -0.20 0.00 0.02 0.00 0.00 177.57 178.58 2kki h ALA 126 N 1.71 0.14 -2.50 1.67 0.00 -1.88 -3.38 119.26 115.02 2kki h ALA 126 Ca -0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.32 2kki h ALA 126 Cb 0.90 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.34 2kki h ALA 126 CO 0.04 0.08 -0.53 -1.58 0.00 0.00 0.00 179.25 177.26 2kki s HIS 127 N -3.93 -0.51 0.38 0.00 5.65 -1.02 -5.02 115.29 110.85 2kki s HIS 127 Ca -0.15 0.76 0.08 0.00 0.25 0.00 0.00 55.06 56.01 2kki s HIS 127 Cb 0.04 -0.09 0.83 0.00 -1.18 0.00 0.00 32.58 32.18 2kki s HIS 127 CO 0.75 -0.53 1.97 -1.00 -0.65 0.00 0.00 174.74 175.28 2kki h PRO 128 N 8.26 0.62 0.00 2.88 0.13 -1.69 -1.00 132.00 141.21 2kki h PRO 128 Ca -0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2kki h PRO 128 Cb 1.13 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2kki h PRO 128 CO 0.21 0.41 0.00 -1.71 -0.23 0.00 0.00 178.00 176.68 2kki n ASN 129 N -4.48 0.00 -4.76 1.44 5.15 -1.26 -3.98 115.26 107.37 2kki n ASN 129 Ca 0.10 0.03 -0.37 0.00 -0.60 0.00 0.00 54.58 53.74 2kki n ASN 129 Cb 0.27 -0.21 -0.07 0.00 -0.53 0.00 0.00 39.78 39.23 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kki s LEU 130 N -2.43 4.29 -0.13 1.20 1.02 -0.38 -1.07 118.68 121.18 2kki s LEU 130 Ca 0.11 0.55 -0.13 0.00 0.02 0.00 0.00 54.13 54.67 2kki s LEU 130 Cb 0.07 -2.35 0.04 0.00 0.02 0.00 0.00 46.19 43.96 2kki s LEU 130 CO 0.14 0.17 0.37 0.12 0.02 0.00 0.00 176.35 177.17 2kki s PHE 131 N 0.10 -0.39 -0.66 0.29 2.19 -0.57 -1.00 117.98 117.94 2kki s PHE 131 Ca 0.17 0.95 -0.23 0.00 0.33 0.00 0.00 56.93 58.14 2kki s PHE 131 Cb -0.13 0.14 0.06 0.00 -1.31 0.00 0.00 43.02 41.78 2kki s PHE 131 CO 0.05 -0.21 1.00 0.42 1.83 0.00 0.00 175.22 178.30 2kki s ILE 132 N 0.08 4.26 0.27 3.12 -1.09 0.02 -2.92 121.20 124.93 2kki s ILE 132 Ca -0.01 -0.20 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 2kki s ILE 132 Cb -0.03 -4.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.11 2kki s ILE 132 CO 0.01 -1.47 0.48 0.00 -1.23 0.00 0.00 174.94 172.73 2kki s ALA 133 N 4.25 3.74 -0.08 9.38 0.00 -0.89 -4.25 121.76 133.91 2kki s ALA 133 Ca 0.24 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2kki s ALA 133 Cb -0.15 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 20.88 2kki s ALA 133 CO 0.12 0.25 -0.14 0.99 0.00 0.00 0.00 175.76 176.97 2kki s THR 134 N -2.06 1.30 0.00 0.00 2.01 0.39 -4.12 115.64 113.18 2kki s THR 134 Ca 0.40 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2kki s THR 134 Cb -0.10 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2kki s THR 134 CO 0.31 0.40 0.01 -0.75 -0.69 0.00 0.00 174.62 173.90 2kki s LYS 135 N 0.71 2.82 0.11 4.92 2.47 -1.26 -1.95 119.74 127.56 2kki s LYS 135 Ca -0.13 -0.60 0.11 0.00 -1.56 0.00 0.00 55.97 53.79 2kki s LYS 135 Cb -0.16 -2.69 -0.14 0.00 -1.46 0.00 0.00 37.83 33.37 2kki s LYS 135 CO 0.03 0.63 1.12 0.37 0.16 0.00 0.00 175.35 177.66 2kki h GLN 136 N 4.28 0.00 0.00 4.03 4.15 -1.93 -3.33 115.11 122.31 2kki h GLN 136 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2kki h GLN 136 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 2kki h GLN 136 CO 0.58 0.68 -0.64 -0.25 -1.93 0.00 0.00 178.83 177.28 2kki n ASP 137 N -3.19 2.85 -3.97 -0.69 8.00 -1.26 -4.75 116.55 113.54 2kki n ASP 137 Ca -0.04 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.31 2kki n ASP 137 Cb 0.91 0.15 0.06 0.00 -0.02 0.00 0.00 41.12 42.22 2kki n ASP 137 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kki n TYR 138 N -1.82 -2.75 -1.56 1.24 4.01 -1.26 -4.95 117.16 110.07 2kki n TYR 138 Ca 0.00 -1.40 -0.32 0.00 -0.16 0.00 0.00 57.90 56.03 2kki n TYR 138 Cb 0.32 -0.45 0.06 0.00 -0.31 0.00 0.00 39.34 38.96 2kki n TYR 138 CO 0.00 0.00 0.00 1.67 -0.46 0.00 0.00 176.86 178.07 2kki s TRP 139 N -1.82 2.74 -0.45 -0.72 -2.14 -1.26 -4.23 118.94 111.06 2kki s TRP 139 Ca 0.45 1.52 -0.28 0.00 2.66 0.00 0.00 56.10 60.46 2kki s TRP 139 Cb -0.03 -3.04 -0.01 0.00 -3.10 0.00 0.00 33.47 27.28 2kki s TRP 139 CO 0.29 -1.57 1.74 0.08 -2.66 0.00 0.00 176.95 174.83 2kki s VAL 140 N -2.71 3.52 0.00 -0.66 1.01 0.55 -4.52 120.40 117.59 2kki s VAL 140 Ca 0.62 0.47 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2kki s VAL 140 Cb -0.17 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2kki s VAL 140 CO 0.49 -0.68 0.00 0.00 0.00 0.00 0.00 175.10 174.91 2kki s LEU 142 N 0.00 2.49 0.10 0.00 2.96 -1.22 -2.10 118.68 120.90 2kki s LEU 142 Ca 0.00 -1.00 -0.26 0.00 -0.22 0.00 0.00 54.13 52.65 2kki s LEU 142 Cb 0.00 0.14 0.08 0.00 0.50 0.00 0.00 46.19 46.91 2kki s LEU 142 CO 0.00 -0.57 0.87 0.00 -1.32 0.00 0.00 176.35 175.33 2kki s ALA 143 N -3.83 -1.68 -0.31 5.97 0.00 -1.11 -2.17 121.76 118.62 2kki s ALA 143 Ca 0.08 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.57 2kki s ALA 143 Cb 0.07 0.59 0.46 0.00 0.00 0.00 0.00 23.12 24.25 2kki s ALA 143 CO -0.09 -0.86 1.63 0.41 0.00 0.00 0.00 175.76 176.84 2kki n GLY 144 N -0.37 3.69 0.00 0.00 0.00 -0.23 -1.52 105.19 106.77 2kki n GLY 144 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2kki n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kki n GLY 145 N -0.61 1.10 3.24 -0.02 0.00 -1.26 -4.81 105.19 102.83 2kki n GLY 145 Ca 0.41 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 2kki n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kki s PRO 146 N -0.39 2.83 0.00 1.61 0.04 -1.26 -4.73 135.00 133.11 2kki s PRO 146 Ca 0.00 -0.89 0.09 0.00 0.04 0.00 0.00 61.00 60.25 2kki s PRO 146 Cb 0.00 -2.24 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 2kki s PRO 146 CO 0.00 0.27 0.44 -0.35 0.04 0.00 0.00 177.00 177.40 2kki n PRO 147 N 3.27 3.56 -3.18 0.56 -0.04 -1.26 -5.00 135.00 132.91 2kki n PRO 147 Ca -0.18 -0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 62.80 2kki n PRO 147 Cb 0.53 -0.97 -0.06 0.00 -0.04 0.00 0.00 33.50 32.96 2kki n PRO 147 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2kki s SER 148 N -1.80 7.06 -0.70 3.54 0.01 -1.26 -5.03 113.70 115.51 2kki s SER 148 Ca 0.04 1.34 -0.24 0.00 1.31 0.00 0.00 55.95 58.41 2kki s SER 148 Cb 0.07 -2.39 0.06 0.00 0.21 0.00 0.00 66.02 63.97 2kki s SER 148 CO 0.36 0.13 1.08 -0.63 0.41 0.00 0.00 173.24 174.59 2kki s ILE 149 N -1.36 4.15 -0.24 1.44 -1.09 -0.82 -4.77 121.20 118.50 2kki s ILE 149 Ca 0.38 -0.19 -0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2kki s ILE 149 Cb -0.18 -4.77 0.20 0.00 -1.58 0.00 0.00 42.46 36.13 2kki s ILE 149 CO 0.21 -1.59 1.83 0.35 -1.23 0.00 0.00 174.94 174.51 2kki n THR 150 N 6.07 2.42 -3.72 2.92 -2.24 -1.26 0.15 114.28 118.62 2kki n THR 150 Ca 0.00 -1.26 -0.34 0.00 -2.27 0.00 0.00 64.05 60.19 2kki n THR 150 Cb 0.47 -1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 67.44 2kki n THR 150 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kki s ASP 151 N 0.39 6.51 0.22 3.42 1.01 -1.26 -4.07 116.67 122.89 2kki s ASP 151 Ca 0.25 0.59 0.01 0.00 0.71 0.00 0.00 52.55 54.11 2kki s ASP 151 Cb 0.20 -2.10 -0.05 0.00 1.01 0.00 0.00 42.92 41.98 2kki s ASP 151 CO 0.01 0.21 0.06 0.12 0.21 0.00 0.00 175.17 175.77 2kki s PHE 152 N -1.38 1.37 -0.17 4.23 2.19 -0.17 -3.74 117.98 120.31 2kki s PHE 152 Ca 0.31 -1.13 -0.28 0.00 0.33 0.00 0.00 56.93 56.16 2kki s PHE 152 Cb -0.13 -0.78 0.08 0.00 -1.31 0.00 0.00 43.02 40.88 2kki s PHE 152 CO 0.18 -0.31 0.78 1.14 1.83 0.00 0.00 175.22 178.84 2kki s GLN 153 N -3.99 0.86 -0.34 10.12 -2.07 0.21 0.39 119.66 124.84 2kki s GLN 153 Ca 0.32 0.53 -0.19 0.00 -1.82 0.00 0.00 55.36 54.20 2kki s GLN 153 Cb 0.07 0.41 -0.01 0.00 -1.09 0.00 0.00 33.01 32.40 2kki s GLN 153 CO 0.09 -0.20 0.55 -1.50 -1.32 0.00 0.00 175.29 172.91 2kki s ILE 154 N -0.49 4.99 -0.28 3.63 2.07 -1.26 -2.42 121.20 127.46 2kki s ILE 154 Ca -0.04 0.49 -0.09 0.00 -1.41 0.00 0.00 60.65 59.60 2kki s ILE 154 Cb -0.02 -3.97 -0.02 0.00 0.13 0.00 0.00 42.46 38.57 2kki s ILE 154 CO 0.04 -0.20 0.11 -0.76 -1.91 0.00 0.00 174.94 172.23 2kki s LEU 155 N 2.46 3.76 0.45 8.50 1.43 -0.22 -4.91 118.68 130.15 2kki s LEU 155 Ca 0.21 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 2kki s LEU 155 Cb -0.15 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 2kki s LEU 155 CO 0.13 -0.10 0.78 -0.70 0.23 0.00 0.00 176.35 176.69 2kki s GLU 156 N 1.63 3.65 0.49 1.70 2.56 -1.26 -1.12 118.70 126.35 2kki s GLU 156 Ca 0.06 0.33 -0.12 0.00 0.00 0.00 0.00 54.97 55.25 2kki s GLU 156 Cb -0.16 -2.38 -0.06 0.00 2.00 0.00 0.00 34.13 33.53 2kki s GLU 156 CO 0.05 -0.13 0.88 1.21 -0.56 0.00 0.00 175.26 176.72 2kki s ASN 157 N -3.66 6.46 -0.05 -1.70 2.47 -1.26 -4.58 114.94 112.63 2kki s ASN 157 Ca 0.49 1.29 -0.23 0.00 0.42 0.00 0.00 52.86 54.83 2kki s ASN 157 Cb -0.10 -2.39 -0.17 0.00 -1.45 0.00 0.00 41.25 37.13 2kki s ASN 157 CO 0.39 -0.57 0.98 0.06 -3.72 0.00 0.00 177.10 174.24 2kki h GLN 158 N 0.73 -0.17 0.00 0.43 3.07 -1.97 -3.48 115.11 113.72 2kki h GLN 158 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.29 2kki h GLN 158 Cb 1.19 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.79 2kki h GLN 158 CO 0.62 0.30 0.00 0.00 0.09 0.00 0.00 178.83 179.84