#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 5.21 -0.19 2.41 1.01 -1.26 -4.84 120.40 122.75 2kki s VAL 10 Ca 0.00 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 2kki s VAL 10 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2kki s VAL 10 CO 0.00 0.47 0.12 -0.54 0.00 0.00 0.00 175.10 175.16 2kki s LYS 11 N -0.23 4.07 -0.37 2.72 1.02 -1.23 -5.02 119.74 120.71 2kki s LYS 11 Ca 0.20 -0.22 -0.09 0.00 0.02 0.00 0.00 55.97 55.88 2kki s LYS 11 Cb -0.15 -3.37 0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2kki s LYS 11 CO 0.08 0.36 0.18 0.71 -0.92 0.00 0.00 175.35 175.77 2kki s TYR 12 N 0.17 3.26 -0.39 3.18 2.02 -1.26 0.22 117.35 124.55 2kki s TYR 12 Ca 0.09 -1.19 -0.04 0.00 -0.37 0.00 0.00 57.07 55.56 2kki s TYR 12 Cb -0.11 -2.45 0.10 0.00 -0.40 0.00 0.00 41.96 39.09 2kki s TYR 12 CO -0.01 -0.70 0.18 -0.80 -1.57 0.00 0.00 175.55 172.65 2kki s ASN 13 N 1.57 5.26 -0.19 2.29 -0.87 0.33 -4.67 114.94 118.66 2kki s ASN 13 Ca 0.01 -1.83 -0.23 0.00 -1.57 0.00 0.00 52.86 49.24 2kki s ASN 13 Cb -0.20 -1.83 -0.02 0.00 -0.02 0.00 0.00 41.25 39.18 2kki s ASN 13 CO 0.05 -0.50 0.71 0.12 -2.57 0.00 0.00 177.10 174.91 2kki s PHE 14 N 1.20 3.38 -0.00 2.20 5.36 -0.22 -3.56 117.98 126.34 2kki s PHE 14 Ca 0.05 1.05 -0.01 0.00 -0.96 0.00 0.00 56.93 57.06 2kki s PHE 14 Cb -0.22 -2.89 -0.00 0.00 -0.34 0.00 0.00 43.02 39.56 2kki s PHE 14 CO -0.03 -0.22 -0.01 -0.12 -1.46 0.00 0.00 175.22 173.38 2kki n MET 15 N 5.22 0.02 -3.58 10.12 0.00 -1.11 -3.45 117.12 124.35 2kki n MET 15 Ca 0.01 0.01 -0.11 0.00 -0.00 0.00 0.00 57.70 57.61 2kki n MET 15 Cb 0.49 -0.28 -0.05 0.00 0.00 0.00 0.00 33.22 33.38 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 -1.10 0.59 -0.47 2.12 1.70 -1.21 -4.99 118.95 115.59 2kki s ARG 16 Ca -0.01 0.15 -0.28 0.00 -0.47 0.00 0.00 55.73 55.12 2kki s ARG 16 Cb 0.00 0.28 0.03 0.00 -0.57 0.00 0.00 34.95 34.69 2kki s ARG 16 CO 0.01 -0.19 1.07 0.42 -1.08 0.00 0.00 175.30 175.54 2kki s ILE 17 N -1.11 4.29 0.00 4.99 -1.09 -1.26 -3.02 121.20 124.01 2kki s ILE 17 Ca -0.02 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 2kki s ILE 17 Cb -0.00 -4.55 0.00 0.00 -1.58 0.00 0.00 42.46 36.33 2kki s ILE 17 CO 0.02 -0.95 0.00 -0.38 -1.23 0.00 0.00 174.94 172.40 2kki n ILE 18 N 6.70 0.00 -4.17 2.92 5.41 -1.22 -5.01 119.36 123.99 2kki n ILE 18 Ca 0.10 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.63 2kki n ILE 18 Cb 0.49 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.36 2kki n ILE 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2kki s LYS 19 N 2.06 2.49 0.13 0.38 0.00 -1.14 -4.95 119.74 118.70 2kki s LYS 19 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 55.97 54.48 2kki s LYS 19 Cb 0.00 -2.28 0.02 0.00 0.00 0.00 0.00 37.83 35.57 2kki s LYS 19 CO 0.00 0.29 0.32 1.52 0.00 0.00 0.00 175.35 177.48 2kki s TYR 20 N -2.31 0.02 -1.42 1.78 -0.85 -1.26 -0.68 117.35 112.64 2kki s TYR 20 Ca 0.34 -0.38 -0.09 0.00 -0.52 0.00 0.00 57.07 56.41 2kki s TYR 20 Cb -0.06 0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.42 2kki s TYR 20 CO 0.22 -0.67 1.07 -1.91 -1.52 0.00 0.00 175.55 172.74 2kki n GLU 21 N -0.18 -7.11 -4.06 -3.49 2.13 -0.35 -4.94 120.64 102.63 2kki n GLU 21 Ca -0.14 0.79 -0.24 0.00 0.66 0.00 0.00 57.16 58.23 2kki n GLU 21 Cb 0.63 -5.79 -0.04 0.00 0.27 0.00 0.00 31.44 26.50 2kki n GLU 21 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2kki s PHE 22 N -3.29 3.21 -0.16 4.31 0.08 -1.15 -4.91 117.98 116.06 2kki s PHE 22 Ca 0.57 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 57.46 2kki s PHE 22 Cb -0.26 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 2kki s PHE 22 CO 0.70 0.51 0.25 0.42 -0.10 0.00 0.00 175.22 177.00 2kki s ILE 23 N -1.92 5.33 -0.26 0.64 1.09 -0.56 -2.04 121.20 123.49 2kki s ILE 23 Ca 0.32 0.45 -0.12 0.00 -1.10 0.00 0.00 60.65 60.20 2kki s ILE 23 Cb -0.09 -3.58 -0.05 0.00 -1.06 0.00 0.00 42.46 37.68 2kki s ILE 23 CO 0.25 0.42 0.24 -0.22 -0.10 0.00 0.00 174.94 175.53 2kki s LEU 24 N 0.33 4.07 0.07 2.97 2.96 -1.26 -0.69 118.68 127.13 2kki s LEU 24 Ca 0.14 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 2kki s LEU 24 Cb -0.12 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2kki s LEU 24 CO 0.03 -0.05 -0.13 0.20 -1.32 0.00 0.00 176.35 175.07 2kki s ASN 25 N 1.45 1.57 0.83 3.68 0.02 -1.07 -0.45 114.94 120.97 2kki s ASN 25 Ca 0.10 -0.60 -0.06 0.00 -1.02 0.00 0.00 52.86 51.28 2kki s ASN 25 Cb -0.15 -0.04 0.16 0.00 0.02 0.00 0.00 41.25 41.24 2kki s ASN 25 CO 0.09 -0.09 1.05 0.47 0.02 0.00 0.00 177.10 178.64 2kki n ASP 26 N 1.32 0.81 0.20 -1.22 8.00 -1.24 0.15 116.55 124.57 2kki n ASP 26 Ca -0.21 -1.83 0.15 0.00 0.71 0.00 0.00 54.79 53.60 2kki n ASP 26 Cb 0.54 -0.74 0.62 0.00 -0.02 0.00 0.00 41.12 41.52 2kki n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kki h ALA 27 N -1.07 1.00 0.00 2.24 0.00 -1.84 0.47 119.26 120.07 2kki h ALA 27 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kki h ALA 27 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kki h ALA 27 CO 0.31 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.84 2kki n LEU 28 N -2.60 0.52 -2.97 0.00 4.77 -1.26 -4.96 117.00 110.50 2kki n LEU 28 Ca 0.01 0.57 -0.06 0.00 -0.03 0.00 0.00 56.01 56.50 2kki n LEU 28 Cb 0.23 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2kki n LEU 28 CO 0.22 -0.22 0.15 0.59 -1.33 0.00 0.00 177.39 176.80 2kki n ASN 29 N -2.01 -7.77 -3.79 -1.43 4.13 0.16 -4.99 115.26 99.56 2kki n ASN 29 Ca 0.05 0.25 -0.27 0.00 1.68 0.00 0.00 54.58 56.28 2kki n ASN 29 Cb 0.34 -5.19 -0.17 0.00 -1.54 0.00 0.00 39.78 33.23 2kki n ASN 29 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2kki s GLN 30 N -2.81 0.91 -0.02 3.52 1.11 -1.26 -3.98 119.66 117.13 2kki s GLN 30 Ca 0.15 -0.40 -0.30 0.00 0.01 0.00 0.00 55.36 54.82 2kki s GLN 30 Cb -0.04 -1.93 -0.06 0.00 -1.01 0.00 0.00 33.01 29.97 2kki s GLN 30 CO 0.77 -0.53 1.65 -1.54 0.01 0.00 0.00 175.29 175.65 2kki s SER 31 N 1.79 6.66 -0.63 5.90 1.04 0.25 -3.69 113.70 125.01 2kki s SER 31 Ca 0.00 2.30 -0.27 0.00 0.48 0.00 0.00 55.95 58.46 2kki s SER 31 Cb -0.16 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.44 2kki s SER 31 CO -0.07 -0.91 1.36 0.27 0.98 0.00 0.00 173.24 174.87 2kki s ILE 32 N 3.67 3.77 0.06 -1.02 -4.36 0.40 -0.82 121.20 122.89 2kki s ILE 32 Ca 0.74 0.58 -0.00 0.00 -0.26 0.00 0.00 60.65 61.70 2kki s ILE 32 Cb -0.35 -4.62 -0.04 0.00 1.25 0.00 0.00 42.46 38.70 2kki s ILE 32 CO 0.30 -1.43 0.21 -0.63 0.24 0.00 0.00 174.94 173.63 2kki s ILE 33 N 6.01 5.38 -0.25 8.37 1.01 -0.38 -2.22 121.20 139.11 2kki s ILE 33 Ca 0.46 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.46 2kki s ILE 33 Cb -0.09 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2kki s ILE 33 CO 0.21 0.15 0.91 -0.13 0.00 0.00 0.00 174.94 176.08 2kki s ARG 34 N -2.48 4.17 -0.05 2.79 0.52 -1.26 -1.81 118.95 120.84 2kki s ARG 34 Ca 0.35 1.04 0.04 0.00 -0.52 0.00 0.00 55.73 56.63 2kki s ARG 34 Cb -0.13 -3.66 -0.25 0.00 0.52 0.00 0.00 34.95 31.43 2kki s ARG 34 CO 0.27 -0.60 0.65 0.00 0.02 0.00 0.00 175.30 175.64 2kki h ALA 35 N 7.70 0.57 -2.42 2.13 0.00 -1.78 -3.48 119.26 121.98 2kki h ALA 35 Ca -0.22 -1.35 -0.12 0.00 0.00 0.00 0.00 54.91 53.22 2kki h ALA 35 Cb 1.08 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 19.20 2kki h ALA 35 CO 0.92 1.41 -0.53 1.21 0.00 0.00 0.00 179.25 182.26 2kki s ASN 36 N -6.55 0.28 0.00 0.00 3.84 -0.08 -5.00 114.94 107.44 2kki s ASN 36 Ca -0.10 -0.93 0.18 0.00 0.21 0.00 0.00 52.86 52.22 2kki s ASN 36 Cb 0.07 0.30 0.99 0.00 -0.55 0.00 0.00 41.25 42.06 2kki s ASN 36 CO 0.82 -0.71 1.54 0.47 -2.79 0.00 0.00 177.10 176.42 2kki n ASP 37 N -0.03 0.00 0.00 -4.21 9.92 -1.26 -2.49 116.55 118.48 2kki n ASP 37 Ca -0.11 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 2kki n ASP 37 Cb 0.62 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 2kki n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kki n GLN 38 N -1.18 0.73 -4.97 -1.24 6.02 -1.26 -4.72 117.38 110.75 2kki n GLN 38 Ca 0.11 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.81 2kki n GLN 38 Cb 0.12 -0.97 -0.17 0.00 1.02 0.00 0.00 30.24 30.24 2kki n GLN 38 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2kki s TYR 39 N -1.88 2.04 -0.04 1.08 2.02 -1.04 -3.78 117.35 115.75 2kki s TYR 39 Ca 0.00 -0.71 0.04 0.00 -0.37 0.00 0.00 57.07 56.03 2kki s TYR 39 Cb 0.00 -1.38 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 2kki s TYR 39 CO 0.00 -0.27 -0.14 -1.17 -1.57 0.00 0.00 175.55 172.40 2kki s LEU 40 N 0.22 1.85 -0.03 -1.29 0.20 -1.26 -0.90 118.68 117.48 2kki s LEU 40 Ca -0.10 -0.30 0.04 0.00 0.69 0.00 0.00 54.13 54.46 2kki s LEU 40 Cb -0.15 -0.83 -0.01 0.00 -0.43 0.00 0.00 46.19 44.77 2kki s LEU 40 CO 0.05 0.11 -0.15 0.28 -0.29 0.00 0.00 176.35 176.35 2kki s THR 41 N 0.15 1.23 0.03 3.68 -1.32 -0.75 -0.58 115.64 118.09 2kki s THR 41 Ca -0.05 -0.64 -0.18 0.00 -1.21 0.00 0.00 61.69 59.62 2kki s THR 41 Cb -0.11 -1.05 -0.06 0.00 -1.51 0.00 0.00 72.50 69.77 2kki s THR 41 CO 0.02 0.36 0.52 0.00 -2.21 0.00 0.00 174.62 173.31 2kki s ALA 42 N -0.12 3.60 -0.14 11.08 0.00 -1.24 -1.25 121.76 133.68 2kki s ALA 42 Ca 0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 2kki s ALA 42 Cb -0.08 -2.58 0.05 0.00 0.00 0.00 0.00 23.12 20.50 2kki s ALA 42 CO 0.01 0.36 0.35 0.00 0.00 0.00 0.00 175.76 176.48 2kki s ALA 43 N -0.85 -0.87 -0.15 0.00 0.00 0.00 -4.38 121.76 115.52 2kki s ALA 43 Ca 0.28 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 2kki s ALA 43 Cb -0.18 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 2kki s ALA 43 CO 0.17 -0.21 1.87 0.00 0.00 0.00 0.00 175.76 177.58 2kki s ALA 44 N 0.93 3.21 0.59 0.00 0.00 -1.26 -0.59 121.76 124.66 2kki s ALA 44 Ca -0.06 0.78 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 2kki s ALA 44 Cb -0.07 -3.91 -0.00 0.00 0.00 0.00 0.00 23.12 19.14 2kki s ALA 44 CO -0.07 -2.07 0.92 -0.51 0.00 0.00 0.00 175.76 174.03 2kki s LEU 45 N 5.81 3.25 0.00 0.00 1.43 -1.26 -4.85 118.68 123.06 2kki s LEU 45 Ca 0.84 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2kki s LEU 45 Cb -0.32 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 42.20 2kki s LEU 45 CO 0.34 -1.01 0.00 1.57 0.23 0.00 0.00 176.35 177.48 2kki n HIS 46 N -2.60 0.00 1.16 0.29 -0.00 -1.26 -4.46 115.22 108.34 2kki n HIS 46 Ca 0.04 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.89 2kki n HIS 46 Cb 0.57 0.00 0.44 0.00 -0.00 0.00 0.00 29.99 31.00 2kki n HIS 46 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 2kki n ASN 47 N -0.55 0.49 0.00 0.26 4.05 -1.26 -4.95 115.26 113.31 2kki n ASN 47 Ca 0.00 -0.32 0.00 0.00 0.45 0.00 0.00 54.58 54.71 2kki n ASN 47 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2kki n ASN 47 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2kki n LEU 48 N -1.20 0.00 -4.55 1.20 4.77 -1.26 -3.87 117.00 112.09 2kki n LEU 48 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 2kki n LEU 48 Cb 0.32 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2kki n LEU 48 CO 0.29 0.00 1.67 -0.62 -1.33 0.00 0.00 177.39 177.40 2kki s ASP 49 N 0.00 6.72 0.00 -1.43 2.15 -1.26 -3.77 116.67 119.08 2kki s ASP 49 Ca 0.00 -2.09 0.00 0.00 0.43 0.00 0.00 52.55 50.89 2kki s ASP 49 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2kki s ASP 49 CO 0.00 -1.25 0.00 1.21 -0.17 0.00 0.00 175.17 174.96 2kki n GLU 50 N 8.21 1.25 -1.66 4.34 2.13 -1.26 -5.07 120.64 128.58 2kki n GLU 50 Ca 0.40 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.92 2kki n GLU 50 Cb 0.48 -0.29 0.05 0.00 0.27 0.00 0.00 31.44 31.95 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 -0.64 2.68 0.07 4.31 0.00 -1.25 -4.95 121.76 121.99 2kki s ALA 51 Ca 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.57 2kki s ALA 51 Cb 0.00 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 2kki s ALA 51 CO 0.00 -1.24 1.34 0.14 0.00 0.00 0.00 175.76 176.00 2kki s VAL 52 N -3.14 3.60 -0.20 0.00 -7.23 -0.94 -4.87 120.40 107.62 2kki s VAL 52 Ca 0.58 1.12 -0.14 0.00 -1.81 0.00 0.00 61.98 61.72 2kki s VAL 52 Cb -0.13 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.05 2kki s VAL 52 CO 0.54 0.07 0.33 -1.59 -0.31 0.00 0.00 175.10 174.14 2kki s LYS 53 N 1.41 4.17 0.36 4.82 -2.85 -1.26 -4.20 119.74 122.19 2kki s LYS 53 Ca 0.63 0.09 0.07 0.00 -1.00 0.00 0.00 55.97 55.76 2kki s LYS 53 Cb -0.33 -3.52 -0.01 0.00 -2.06 0.00 0.00 37.83 31.91 2kki s LYS 53 CO 0.29 0.03 0.46 -0.06 0.10 0.00 0.00 175.35 176.17 2kki s PHE 54 N 1.10 2.98 -0.03 1.78 0.40 -0.86 0.16 117.98 123.51 2kki s PHE 54 Ca 0.16 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2kki s PHE 54 Cb -0.14 -2.07 0.02 0.00 0.51 0.00 0.00 43.02 41.34 2kki s PHE 54 CO 0.07 -0.09 0.00 -0.51 0.70 0.00 0.00 175.22 175.39 2kki s ASP 55 N -4.19 0.36 -0.11 1.36 1.01 0.12 -1.22 116.67 114.01 2kki s ASP 55 Ca 0.47 -0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.69 2kki s ASP 55 Cb -0.09 -0.19 -0.03 0.00 1.01 0.00 0.00 42.92 43.63 2kki s ASP 55 CO 0.31 -0.09 -0.03 -0.04 0.21 0.00 0.00 175.17 175.53 2kki s MET 56 N 0.92 3.19 -0.04 8.23 -1.94 0.15 -2.78 119.30 127.03 2kki s MET 56 Ca -0.09 -0.48 -0.00 0.00 -1.71 0.00 0.00 55.69 53.41 2kki s MET 56 Cb -0.12 -2.80 0.03 0.00 2.01 0.00 0.00 34.83 33.94 2kki s MET 56 CO -0.02 0.52 0.01 0.20 -0.01 0.00 0.00 175.02 175.73 2kki s GLY 57 N -0.40 0.27 0.23 -0.03 0.00 -1.21 -2.87 107.32 103.30 2kki s GLY 57 Ca 0.07 0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.74 2kki s GLY 57 CO 0.02 0.79 0.69 0.00 0.00 0.00 0.00 173.10 174.60 2kki s ALA 58 N 1.33 3.43 0.07 3.20 0.00 -1.17 -0.96 121.76 127.66 2kki s ALA 58 Ca -0.05 0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.02 2kki s ALA 58 Cb -0.13 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 2kki s ALA 58 CO -0.02 0.36 -0.14 1.52 0.00 0.00 0.00 175.76 177.48 2kki s TYR 59 N -1.64 1.21 -0.04 0.00 1.13 0.15 -2.73 117.35 115.43 2kki s TYR 59 Ca 0.45 -0.47 -0.01 0.00 -1.41 0.00 0.00 57.07 55.63 2kki s TYR 59 Cb -0.15 -0.68 0.03 0.00 -1.10 0.00 0.00 41.96 40.06 2kki s TYR 59 CO 0.20 0.06 0.04 0.21 -2.51 0.00 0.00 175.55 173.54 2kki s LYS 60 N -1.79 0.10 0.05 -3.49 2.36 -1.22 -4.06 119.74 111.68 2kki s LYS 60 Ca -0.02 0.28 -0.03 0.00 -2.55 0.00 0.00 55.97 53.65 2kki s LYS 60 Cb -0.10 -0.57 -0.02 0.00 -1.05 0.00 0.00 37.83 36.09 2kki s LYS 60 CO 0.02 -0.29 0.04 -1.54 1.55 0.00 0.00 175.35 175.13 2kki s SER 61 N 1.90 0.31 -0.30 1.43 1.04 -1.26 -3.92 113.70 112.90 2kki s SER 61 Ca 0.02 -0.74 -0.03 0.00 0.48 0.00 0.00 55.95 55.68 2kki s SER 61 Cb -0.12 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.26 2kki s SER 61 CO -0.03 -0.55 2.65 -1.54 0.98 0.00 0.00 173.24 174.74 2kki n SER 62 N 0.47 6.18 -1.33 7.02 3.41 -1.26 -3.78 113.62 124.33 2kki n SER 62 Ca -0.17 -2.98 -0.04 0.00 -0.26 0.00 0.00 58.87 55.42 2kki n SER 62 Cb 0.60 -1.21 0.11 0.00 -0.26 0.00 0.00 64.21 63.45 2kki n SER 62 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kki n LYS 63 N 1.05 1.98 0.00 4.33 4.76 -1.26 -5.00 118.16 124.02 2kki n LYS 63 Ca 0.39 -3.40 0.00 0.00 -2.87 0.00 0.00 58.31 52.43 2kki n LYS 63 Cb 0.62 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 2kki n LYS 63 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kki n ASP 64 N -0.73 0.00 0.00 4.39 8.00 -1.25 -5.09 116.55 121.87 2kki n ASP 64 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.74 2kki n ASP 64 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 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 -0.29 -2.24 2.03 -1.26 -4.95 116.55 109.84 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 -1.70 2.04 -3.16 -1.67 0.00 -1.26 -5.08 120.51 109.68 2kki n ALA 66 Ca 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 53.44 51.72 2kki n ALA 66 Cb 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 2kki n ALA 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kki s LYS 67 N -1.13 0.46 0.07 0.00 -2.85 -1.26 -5.16 119.74 109.87 2kki s LYS 67 Ca 0.12 0.00 0.02 0.00 -1.00 0.00 0.00 55.97 55.11 2kki s LYS 67 Cb 0.11 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 2kki s LYS 67 CO 0.01 -0.10 0.11 0.96 0.10 0.00 0.00 175.35 176.43 2kki s ILE 68 N -0.70 4.76 -0.13 3.79 -4.36 -1.26 -4.72 121.20 118.58 2kki s ILE 68 Ca -0.08 -0.64 -0.03 0.00 -0.26 0.00 0.00 60.65 59.64 2kki s ILE 68 Cb -0.04 -3.29 -0.03 0.00 1.25 0.00 0.00 42.46 40.35 2kki s ILE 68 CO 0.02 0.15 -0.02 -0.89 0.24 0.00 0.00 174.94 174.44 2kki s THR 69 N -1.40 4.06 0.27 8.37 2.01 -1.25 -3.69 115.64 124.01 2kki s THR 69 Ca 0.30 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 62.06 2kki s THR 69 Cb -0.12 -2.75 -0.06 0.00 0.01 0.00 0.00 72.50 69.58 2kki s THR 69 CO 0.23 0.54 -0.08 0.68 -0.69 0.00 0.00 174.62 175.29 2kki s VAL 70 N -0.13 1.75 -0.14 3.82 -7.23 -0.46 -0.67 120.40 117.33 2kki s VAL 70 Ca 0.03 -2.16 -0.06 0.00 -1.81 0.00 0.00 61.98 57.98 2kki s VAL 70 Cb -0.13 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2kki s VAL 70 CO 0.02 -0.34 0.06 0.27 -0.31 0.00 0.00 175.10 174.80 2kki s ILE 71 N -2.94 4.80 -0.34 -0.62 -4.36 -0.14 -2.57 121.20 115.04 2kki s ILE 71 Ca 0.29 -0.04 -0.10 0.00 -0.26 0.00 0.00 60.65 60.54 2kki s ILE 71 Cb 0.02 -3.11 0.01 0.00 1.25 0.00 0.00 42.46 40.63 2kki s ILE 71 CO 0.12 0.53 0.17 -0.22 0.24 0.00 0.00 174.94 175.78 2kki s LEU 72 N -0.25 4.35 0.04 0.37 2.96 -1.26 -3.36 118.68 121.54 2kki s LEU 72 Ca 0.08 -0.76 0.02 0.00 -0.22 0.00 0.00 54.13 53.25 2kki s LEU 72 Cb -0.12 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2kki s LEU 72 CO 0.01 -0.28 -0.07 0.00 -1.32 0.00 0.00 176.35 174.69 2kki s ARG 73 N 1.57 0.53 -0.08 1.98 1.70 -1.12 -3.02 118.95 120.52 2kki s ARG 73 Ca 0.03 -0.77 -0.25 0.00 -0.47 0.00 0.00 55.73 54.27 2kki s ARG 73 Cb -0.18 -0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 33.90 2kki s ARG 73 CO 0.06 0.04 0.79 0.96 -1.08 0.00 0.00 175.30 176.07 2kki s ILE 74 N -1.46 4.97 0.62 4.99 -4.36 -1.23 0.14 121.20 124.87 2kki s ILE 74 Ca -0.10 1.62 0.26 0.00 -0.26 0.00 0.00 60.65 62.18 2kki s ILE 74 Cb -0.09 -4.12 0.33 0.00 1.25 0.00 0.00 42.46 39.82 2kki s ILE 74 CO 0.00 0.18 1.70 0.77 0.24 0.00 0.00 174.94 177.83 2kki h SER 75 N 6.90 0.00 0.00 4.36 4.64 -0.57 -3.15 113.55 125.73 2kki h SER 75 Ca -0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 2kki h SER 75 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2kki h SER 75 CO 0.77 0.00 -0.07 0.11 -0.87 0.00 0.00 176.83 176.77 2kki h LYS 76 N 0.00 0.00 -5.87 4.77 1.57 -1.92 -3.47 116.57 111.65 2kki h LYS 76 Ca 0.19 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.40 2kki h LYS 76 Cb 1.47 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.70 2kki h LYS 76 CO -0.00 0.43 -0.44 0.95 -0.57 0.00 0.00 179.45 179.82 2kki s THR 77 N -1.88 2.09 -1.14 -0.16 -4.23 -1.19 -5.03 115.64 104.10 2kki s THR 77 Ca -0.09 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 2kki s THR 77 Cb -0.01 -2.72 0.26 0.00 1.34 0.00 0.00 72.50 71.37 2kki s THR 77 CO 0.30 0.00 1.45 0.00 -0.54 0.00 0.00 174.62 175.83 2kki n GLN 78 N -1.40 3.98 -3.60 3.99 1.13 -1.26 -4.31 117.38 115.91 2kki n GLN 78 Ca -0.02 -4.29 -0.37 0.00 -1.94 0.00 0.00 57.00 50.37 2kki n GLN 78 Cb 0.64 -2.64 -0.10 0.00 0.11 0.00 0.00 30.24 28.25 2kki n GLN 78 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2kki s LEU 79 N -1.51 4.07 0.02 1.08 1.98 -1.26 -3.07 118.68 119.98 2kki s LEU 79 Ca 0.34 0.10 0.01 0.00 -2.89 0.00 0.00 54.13 51.68 2kki s LEU 79 Cb 0.01 -2.16 -0.04 0.00 0.66 0.00 0.00 46.19 44.66 2kki s LEU 79 CO 0.03 -0.01 0.07 -0.31 -1.89 0.00 0.00 176.35 174.25 2kki s TYR 80 N 1.43 3.24 -0.29 5.38 1.51 0.24 -3.52 117.35 125.34 2kki s TYR 80 Ca 0.08 0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 56.09 2kki s TYR 80 Cb -0.15 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 2kki s TYR 80 CO 0.08 0.54 0.72 0.08 -1.11 0.00 0.00 175.55 175.85 2kki s VAL 81 N -1.23 4.87 -0.01 0.71 1.01 -1.17 -0.75 120.40 123.84 2kki s VAL 81 Ca 0.24 1.12 -0.05 0.00 0.00 0.00 0.00 61.98 63.29 2kki s VAL 81 Cb -0.12 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2kki s VAL 81 CO 0.16 -0.15 0.22 0.28 0.00 0.00 0.00 175.10 175.61 2kki s THR 82 N 2.76 5.38 -0.27 3.92 -1.32 -0.67 -2.62 115.64 122.82 2kki s THR 82 Ca 0.29 0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.70 2kki s THR 82 Cb -0.15 -3.54 -0.05 0.00 -1.51 0.00 0.00 72.50 67.25 2kki s THR 82 CO 0.11 0.37 0.18 0.00 -2.21 0.00 0.00 174.62 173.07 2kki s ALA 83 N -1.29 3.55 0.00 11.08 0.00 -0.95 -3.23 121.76 130.92 2kki s ALA 83 Ca 0.26 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2kki s ALA 83 Cb -0.13 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.56 2kki s ALA 83 CO 0.16 -0.45 0.00 0.94 0.00 0.00 0.00 175.76 176.41 2kki n GLN 84 N 4.84 0.00 -3.49 0.00 0.00 -1.26 -5.00 117.38 112.47 2kki n GLN 84 Ca -0.14 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.64 2kki n GLN 84 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.63 2kki n GLN 84 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2kki s ASP 85 N -1.00 2.18 0.78 1.69 -1.08 -1.26 -4.91 116.67 113.07 2kki s ASP 85 Ca 0.00 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.31 2kki s ASP 85 Cb 0.00 0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.60 2kki s ASP 85 CO 0.00 -0.38 0.00 1.21 0.52 0.00 0.00 175.17 176.52 2kki n GLU 86 N 5.29 0.00 -1.94 4.34 2.13 -1.17 -3.33 120.64 125.96 2kki n GLU 86 Ca -0.05 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.43 2kki n GLU 86 Cb 0.46 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.13 2kki n GLU 86 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kki n ASP 87 N 1.63 3.30 -3.67 4.31 2.03 -0.83 -3.04 116.55 120.28 2kki n ASP 87 Ca 0.00 -2.74 -0.12 0.00 0.52 0.00 0.00 54.79 52.46 2kki n ASP 87 Cb 0.00 -1.60 -0.12 0.00 -0.72 0.00 0.00 41.12 38.68 2kki n ASP 87 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kki s GLN 88 N 5.64 0.22 0.62 -0.67 -1.52 -1.21 -4.92 119.66 117.82 2kki s GLN 88 Ca 0.63 0.82 -0.19 0.00 -1.95 0.00 0.00 55.36 54.66 2kki s GLN 88 Cb 0.04 0.07 -0.02 0.00 -0.22 0.00 0.00 33.01 32.88 2kki s GLN 88 CO 0.11 -0.25 1.32 -2.30 -0.25 0.00 0.00 175.29 173.92 2kki n PRO 89 N 5.17 1.31 -1.70 2.91 -0.02 -1.26 -3.63 135.00 137.78 2kki n PRO 89 Ca -0.10 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 2kki n PRO 89 Cb 0.50 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2kki n PRO 89 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kki n VAL 90 N -1.62 0.27 -3.86 -1.45 0.31 -0.68 -4.61 118.33 106.69 2kki n VAL 90 Ca 0.14 -0.05 -0.35 0.00 -0.01 0.00 0.00 64.34 64.07 2kki n VAL 90 Cb 0.47 -2.10 -0.05 0.00 -0.91 0.00 0.00 33.84 31.25 2kki n VAL 90 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kki s LEU 91 N 2.34 4.38 -0.58 7.52 1.43 -1.20 -4.86 118.68 127.71 2kki s LEU 91 Ca 0.80 0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 54.15 2kki s LEU 91 Cb -0.48 -2.46 0.09 0.00 0.03 0.00 0.00 46.19 43.37 2kki s LEU 91 CO 0.36 0.31 0.71 -0.76 0.23 0.00 0.00 176.35 177.20 2kki s LEU 92 N -1.61 5.16 -0.26 1.79 1.43 -1.25 -1.67 118.68 122.28 2kki s LEU 92 Ca 0.23 -1.24 -0.17 0.00 -1.03 0.00 0.00 54.13 51.92 2kki s LEU 92 Cb -0.13 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2kki s LEU 92 CO 0.14 -1.09 0.47 -0.75 0.23 0.00 0.00 176.35 175.34 2kki s LYS 93 N 2.83 4.07 -0.75 1.70 2.47 0.07 -4.83 119.74 125.31 2kki s LYS 93 Ca 0.14 0.25 -0.18 0.00 -1.56 0.00 0.00 55.97 54.62 2kki s LYS 93 Cb -0.22 -3.64 0.14 0.00 -1.46 0.00 0.00 37.83 32.65 2kki s LYS 93 CO 0.08 -0.30 0.85 -2.00 0.16 0.00 0.00 175.35 174.14 2kki s GLU 94 N 2.15 3.35 -0.18 4.03 2.12 -1.26 0.80 118.70 129.71 2kki s GLU 94 Ca 0.20 -1.74 0.00 0.00 0.36 0.00 0.00 54.97 53.79 2kki s GLU 94 Cb -0.16 -4.49 0.01 0.00 0.26 0.00 0.00 34.13 29.75 2kki s GLU 94 CO 0.09 -1.55 -0.17 1.41 -0.54 0.00 0.00 175.26 174.50 2kki s MET 95 N 2.05 3.09 0.04 4.30 1.75 -1.17 -4.94 119.30 124.42 2kki s MET 95 Ca 0.19 -0.79 -0.30 0.00 -1.25 0.00 0.00 55.69 53.54 2kki s MET 95 Cb -0.15 -2.63 -0.04 0.00 2.84 0.00 0.00 34.83 34.85 2kki s MET 95 CO -0.02 -0.15 0.98 -1.25 -0.65 0.00 0.00 175.02 173.93 2kki s PRO 96 N 1.19 4.60 0.21 4.11 0.04 -1.26 -4.47 135.00 139.42 2kki s PRO 96 Ca 0.02 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2kki s PRO 96 Cb -0.14 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2kki s PRO 96 CO -0.08 0.03 0.00 -1.91 0.04 0.00 0.00 177.00 175.08 2kki n GLU 97 N 3.53 -1.61 -2.21 4.56 2.13 -1.26 -4.91 120.64 120.87 2kki n GLU 97 Ca 0.05 1.23 -0.42 0.00 0.66 0.00 0.00 57.16 58.68 2kki n GLU 97 Cb 0.50 -1.47 -0.03 0.00 0.27 0.00 0.00 31.44 30.71 2kki n GLU 97 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2kki s ILE 98 N -3.75 3.57 0.14 6.31 2.07 -1.26 -5.01 121.20 123.28 2kki s ILE 98 Ca 0.00 1.05 -0.19 0.00 -1.41 0.00 0.00 60.65 60.11 2kki s ILE 98 Cb 0.00 -3.68 -0.07 0.00 0.13 0.00 0.00 42.46 38.84 2kki s ILE 98 CO 0.00 0.04 0.63 -2.16 -1.91 0.00 0.00 174.94 171.53 2kki s PRO 99 N 1.81 4.19 -0.01 3.50 0.04 -1.26 -4.90 135.00 138.36 2kki s PRO 99 Ca 0.64 0.74 0.18 0.00 0.04 0.00 0.00 61.00 62.60 2kki s PRO 99 Cb -0.33 -3.05 -0.22 0.00 0.04 0.00 0.00 34.50 30.93 2kki s PRO 99 CO 0.28 0.52 0.65 1.63 0.04 0.00 0.00 177.00 180.12 2kki n LYS 100 N 1.17 0.98 -3.66 4.56 5.02 -1.26 -4.78 118.16 120.19 2kki n LYS 100 Ca -0.06 -0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 55.93 2kki n LYS 100 Cb 0.51 -1.36 -0.17 0.00 -0.02 0.00 0.00 35.03 33.98 2kki n LYS 100 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2kki s THR 101 N -2.85 0.06 -0.26 -0.18 -1.32 -1.23 -0.51 115.64 109.35 2kki s THR 101 Ca 0.03 -0.10 -0.09 0.00 -1.21 0.00 0.00 61.69 60.31 2kki s THR 101 Cb 0.13 -0.58 -0.04 0.00 -1.51 0.00 0.00 72.50 70.50 2kki s THR 101 CO 0.74 -0.14 0.13 -0.51 -2.21 0.00 0.00 174.62 172.63 2kki s ILE 102 N 2.08 4.81 -0.09 5.08 -1.16 0.13 -4.54 121.20 127.51 2kki s ILE 102 Ca 0.02 -0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.18 2kki s ILE 102 Cb -0.15 -3.27 0.02 0.00 0.61 0.00 0.00 42.46 39.67 2kki s ILE 102 CO -0.07 0.30 -0.13 0.28 -2.81 0.00 0.00 174.94 172.51 2kki s THR 103 N 1.61 1.29 0.00 4.00 -1.32 -1.22 -3.54 115.64 116.46 2kki s THR 103 Ca 0.07 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.02 2kki s THR 103 Cb -0.15 -1.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 2kki s THR 103 CO 0.07 0.40 0.00 0.61 -2.21 0.00 0.00 174.62 173.49 2kki n GLY 104 N 4.18 0.00 0.24 6.08 0.00 -1.26 -3.30 105.19 111.13 2kki n GLY 104 Ca -0.19 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.61 0.87 -2.02 -2.60 113.55 111.41 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 -2.76 0.93 0.14 2.24 4.71 -1.21 -3.70 120.64 120.99 2kki n GLU 106 Ca -0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.27 2kki n GLU 106 Cb 0.18 -1.27 0.50 0.00 -1.01 0.00 0.00 31.44 29.83 2kki n GLU 106 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2kki n THR 107 N -0.77 0.83 -0.01 2.62 -1.04 -0.98 -1.99 114.28 112.93 2kki n THR 107 Ca 0.12 0.25 -0.06 0.00 -2.04 0.00 0.00 64.05 62.32 2kki n THR 107 Cb 0.06 -1.19 0.13 0.00 -1.82 0.00 0.00 70.33 67.50 2kki n THR 107 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2kki h ASN 108 N 0.00 0.59 -0.70 8.00 4.21 -1.85 -3.16 115.58 122.66 2kki h ASN 108 Ca 0.00 -0.24 -0.44 0.00 1.21 0.00 0.00 56.30 56.83 2kki h ASN 108 Cb 0.35 -0.16 -0.18 0.00 -1.12 0.00 0.00 38.32 37.21 2kki h ASN 108 CO 0.00 0.89 0.54 -0.11 -1.29 0.00 0.00 177.43 177.45 2kki n LEU 109 N -4.06 6.79 -4.80 1.61 7.94 -0.84 -2.24 117.00 121.40 2kki n LEU 109 Ca -0.01 -3.66 -0.38 0.00 -1.11 0.00 0.00 56.01 50.86 2kki n LEU 109 Cb 0.48 -1.06 -0.06 0.00 0.53 0.00 0.00 43.42 43.30 2kki n LEU 109 CO 0.44 1.36 0.07 -0.76 -1.11 0.00 0.00 177.39 177.39 2kki s LEU 110 N -2.38 4.39 -0.05 -1.96 1.43 -1.20 -4.38 118.68 114.54 2kki s LEU 110 Ca 0.43 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 54.31 2kki s LEU 110 Cb 0.33 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 44.05 2kki s LEU 110 CO -0.04 0.23 0.05 -0.36 0.23 0.00 0.00 176.35 176.45 2kki s PHE 111 N -0.45 0.21 -0.53 0.29 0.40 -1.06 -3.69 117.98 113.15 2kki s PHE 111 Ca 0.22 0.15 -0.24 0.00 -0.60 0.00 0.00 56.93 56.46 2kki s PHE 111 Cb -0.15 -0.56 0.04 0.00 0.51 0.00 0.00 43.02 42.85 2kki s PHE 111 CO 0.10 -0.23 0.93 0.12 0.70 0.00 0.00 175.22 176.84 2kki s PHE 112 N 2.12 2.83 -0.48 0.36 5.36 0.26 -1.36 117.98 127.07 2kki s PHE 112 Ca 0.05 0.04 -0.20 0.00 -0.96 0.00 0.00 56.93 55.86 2kki s PHE 112 Cb -0.12 -4.03 0.04 0.00 -0.34 0.00 0.00 43.02 38.57 2kki s PHE 112 CO -0.04 -1.29 0.62 1.67 -1.46 0.00 0.00 175.22 174.73 2kki s TRP 113 N 3.86 3.05 -0.45 10.12 1.48 -1.25 -1.50 118.94 134.25 2kki s TRP 113 Ca 0.31 -0.37 -0.11 0.00 -1.06 0.00 0.00 56.10 54.87 2kki s TRP 113 Cb -0.12 -3.44 0.09 0.00 -1.16 0.00 0.00 33.47 28.84 2kki s TRP 113 CO 0.20 -0.97 0.33 -2.00 -4.06 0.00 0.00 176.95 170.45 2kki s GLU 114 N 2.69 2.71 -0.22 3.25 2.12 -0.62 -4.97 118.70 123.65 2kki s GLU 114 Ca 0.17 -1.51 -0.10 0.00 0.36 0.00 0.00 54.97 53.90 2kki s GLU 114 Cb -0.17 -3.94 -0.05 0.00 0.26 0.00 0.00 34.13 30.23 2kki s GLU 114 CO 0.14 -1.05 0.15 0.99 -0.54 0.00 0.00 175.26 174.95 2kki s THR 115 N 1.48 5.37 -0.36 -1.70 2.01 -1.26 -0.57 115.64 120.61 2kki s THR 115 Ca 0.04 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.24 2kki s THR 115 Cb -0.24 -3.48 0.11 0.00 0.01 0.00 0.00 72.50 68.89 2kki s THR 115 CO 0.03 0.39 0.10 -1.00 -0.69 0.00 0.00 174.62 173.45 2kki s HIS 116 N 0.75 2.93 0.00 4.92 3.76 0.68 -4.98 115.29 123.35 2kki s HIS 116 Ca 0.08 -2.60 0.00 0.00 -0.15 0.00 0.00 55.06 52.39 2kki s HIS 116 Cb -0.12 -2.46 0.00 0.00 1.11 0.00 0.00 32.58 31.10 2kki s HIS 116 CO 0.02 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 173.43 2kki n GLY 117 N 4.24 1.60 0.13 -2.22 0.00 -1.26 -2.91 105.19 104.77 2kki n GLY 117 Ca 0.03 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2kki n GLY 117 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kki n THR 118 N 0.00 1.13 -1.71 2.61 5.66 -1.26 -5.01 114.28 115.69 2kki n THR 118 Ca 0.00 -0.41 -0.31 0.00 -3.05 0.00 0.00 64.05 60.28 2kki n THR 118 Cb 0.00 -1.27 0.03 0.00 -1.55 0.00 0.00 70.33 67.54 2kki n THR 118 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2kki s LYS 119 N -2.39 3.20 0.06 1.09 -2.85 -1.14 -3.93 119.74 113.78 2kki s LYS 119 Ca -0.27 0.90 -0.24 0.00 -1.00 0.00 0.00 55.97 55.37 2kki s LYS 119 Cb 0.07 -2.02 0.06 0.00 -2.06 0.00 0.00 37.83 33.88 2kki s LYS 119 CO 0.44 -0.89 0.56 0.54 0.10 0.00 0.00 175.35 176.10 2kki s ASN 120 N -3.85 -0.50 0.24 0.03 6.03 0.12 -0.23 114.94 116.78 2kki s ASN 120 Ca 0.57 0.20 0.08 0.00 -1.03 0.00 0.00 52.86 52.68 2kki s ASN 120 Cb -0.13 0.53 -0.04 0.00 -3.03 0.00 0.00 41.25 38.58 2kki s ASN 120 CO 0.53 -0.77 0.07 -0.31 -2.03 0.00 0.00 177.10 174.59 2kki s TYR 121 N -2.65 2.89 -0.31 1.54 1.51 0.27 -0.92 117.35 119.68 2kki s TYR 121 Ca -0.04 -0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2kki s TYR 121 Cb -0.00 -1.32 0.10 0.00 -0.11 0.00 0.00 41.96 40.63 2kki s TYR 121 CO -0.03 0.56 0.10 -0.06 -1.11 0.00 0.00 175.55 175.01 2kki s PHE 122 N -2.11 1.45 0.04 2.71 0.08 -1.25 -1.60 117.98 117.30 2kki s PHE 122 Ca 0.31 -1.57 -0.20 0.00 0.12 0.00 0.00 56.93 55.58 2kki s PHE 122 Cb -0.08 -1.56 -0.06 0.00 -0.57 0.00 0.00 43.02 40.75 2kki s PHE 122 CO 0.21 -0.87 0.59 0.99 -0.10 0.00 0.00 175.22 176.05 2kki s THR 123 N 1.71 4.81 -0.03 0.64 2.01 -0.56 -0.97 115.64 123.25 2kki s THR 123 Ca 0.10 1.25 -0.30 0.00 0.31 0.00 0.00 61.69 63.04 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 -0.27 0.49 1.40 -0.55 -0.69 0.00 0.00 174.62 174.99 2kki s SER 124 N -0.66 6.85 0.42 3.53 0.15 -0.66 0.90 113.70 124.23 2kki s SER 124 Ca 0.30 2.06 0.23 0.00 0.70 0.00 0.00 55.95 59.24 2kki s SER 124 Cb -0.19 -2.55 0.73 0.00 -1.71 0.00 0.00 66.02 62.29 2kki s SER 124 CO 0.18 -0.74 1.74 0.58 1.20 0.00 0.00 173.24 176.21 2kki h VAL 125 N 5.06 0.53 -0.07 4.45 2.07 -1.89 -2.37 116.25 124.02 2kki h VAL 125 Ca -0.36 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 65.79 2kki h VAL 125 Cb 1.17 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2kki h VAL 125 CO 0.91 0.24 -0.26 0.00 0.02 0.00 0.00 177.57 178.48 2kki h ALA 126 N 1.76 0.13 -2.69 1.67 0.00 -1.88 -3.38 119.26 114.87 2kki h ALA 126 Ca -0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 2kki h ALA 126 Cb 0.88 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.31 2kki h ALA 126 CO 0.03 0.14 -0.61 -1.01 0.00 0.00 0.00 179.25 177.80 2kki s HIS 127 N -3.73 -0.30 0.36 0.00 3.76 -0.96 -5.04 115.29 109.38 2kki s HIS 127 Ca -0.14 0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.27 2kki s HIS 127 Cb 0.03 -0.27 0.70 0.00 1.11 0.00 0.00 32.58 34.15 2kki s HIS 127 CO 0.76 -0.49 1.99 -1.00 -0.85 0.00 0.00 174.74 175.16 2kki h PRO 128 N 8.32 0.77 0.00 8.40 0.13 -1.75 -1.10 132.00 146.77 2kki h PRO 128 Ca -0.16 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2kki h PRO 128 Cb 1.14 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2kki h PRO 128 CO 0.22 0.51 0.00 -1.71 -0.23 0.00 0.00 178.00 176.79 2kki n ASN 129 N -4.46 0.00 -4.74 1.44 4.05 -1.26 -3.98 115.26 106.31 2kki n ASN 129 Ca 0.08 0.44 -0.37 0.00 0.45 0.00 0.00 54.58 55.18 2kki n ASN 129 Cb 0.12 -0.46 -0.07 0.00 1.23 0.00 0.00 39.78 40.60 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kki s LEU 130 N -2.93 4.28 -0.14 1.20 1.02 -0.42 -1.53 118.68 120.17 2kki s LEU 130 Ca 0.05 0.63 -0.11 0.00 0.02 0.00 0.00 54.13 54.71 2kki s LEU 130 Cb 0.06 -2.46 0.04 0.00 0.02 0.00 0.00 46.19 43.85 2kki s LEU 130 CO 0.15 0.11 0.37 0.12 0.02 0.00 0.00 176.35 177.12 2kki s PHE 131 N 0.29 -0.44 -0.69 0.29 5.36 -1.19 -1.66 117.98 119.94 2kki s PHE 131 Ca 0.19 1.04 -0.23 0.00 -0.96 0.00 0.00 56.93 56.98 2kki s PHE 131 Cb -0.14 0.16 0.07 0.00 -0.34 0.00 0.00 43.02 42.77 2kki s PHE 131 CO 0.06 -0.23 1.01 0.42 -1.46 0.00 0.00 175.22 175.02 2kki s ILE 132 N 0.54 4.30 0.16 3.12 -1.09 -0.14 -2.23 121.20 125.85 2kki s ILE 132 Ca -0.03 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 57.94 2kki s ILE 132 Cb -0.04 -4.72 -0.06 0.00 -1.58 0.00 0.00 42.46 36.06 2kki s ILE 132 CO -0.03 -1.50 0.41 0.00 -1.23 0.00 0.00 174.94 172.58 2kki s ALA 133 N 4.12 3.75 -0.05 9.38 0.00 -1.00 -4.21 121.76 133.75 2kki s ALA 133 Ca 0.24 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.72 2kki s ALA 133 Cb -0.15 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.80 2kki s ALA 133 CO 0.09 0.64 -0.11 0.99 0.00 0.00 0.00 175.76 177.37 2kki s THR 134 N -1.68 1.02 0.03 0.00 2.01 0.36 -3.41 115.64 113.97 2kki s THR 134 Ca 0.42 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.02 2kki s THR 134 Cb -0.12 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2kki s THR 134 CO 0.24 0.32 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.91 2kki s LYS 135 N 0.55 2.56 0.16 4.92 3.01 -1.26 -2.66 119.74 127.03 2kki s LYS 135 Ca -0.11 -0.75 0.06 0.00 -1.01 0.00 0.00 55.97 54.16 2kki s LYS 135 Cb -0.14 -2.53 -0.04 0.00 -1.01 0.00 0.00 37.83 34.11 2kki s LYS 135 CO 0.03 0.59 1.37 1.96 0.51 0.00 0.00 175.35 179.80 2kki h GLN 136 N 4.20 0.07 0.00 1.68 7.50 -1.94 -3.29 115.11 123.33 2kki h GLN 136 Ca -0.48 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 58.58 2kki h GLN 136 Cb 1.17 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.73 2kki h GLN 136 CO 0.55 0.92 -0.81 -3.47 -1.50 0.00 0.00 178.83 174.53 2kki n ASP 137 N -3.54 3.92 -4.83 1.46 2.03 -1.26 -4.56 116.55 109.76 2kki n ASP 137 Ca -0.02 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.08 2kki n ASP 137 Cb 0.84 0.35 0.08 0.00 -0.72 0.00 0.00 41.12 41.67 2kki n ASP 137 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2kki s TYR 138 N -1.81 1.61 0.81 -0.67 5.04 -1.26 -4.97 117.35 116.10 2kki s TYR 138 Ca 0.00 -0.44 -0.11 0.00 -2.44 0.00 0.00 57.07 54.08 2kki s TYR 138 Cb 0.00 -2.67 0.08 0.00 0.35 0.00 0.00 41.96 39.72 2kki s TYR 138 CO 0.00 -1.42 1.09 -1.58 -1.34 0.00 0.00 175.55 172.30 2kki s TRP 139 N -2.92 2.61 -0.49 4.97 0.51 -1.26 -4.18 118.94 118.18 2kki s TRP 139 Ca 0.64 1.35 -0.27 0.00 -2.12 0.00 0.00 56.10 55.70 2kki s TRP 139 Cb -0.06 -3.08 -0.03 0.00 -0.81 0.00 0.00 33.47 29.49 2kki s TRP 139 CO 0.42 -1.93 1.97 0.54 -0.51 0.00 0.00 176.95 177.44 2kki s VAL 140 N -2.98 3.31 0.00 4.03 0.11 0.26 -4.31 120.40 120.81 2kki s VAL 140 Ca 0.61 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 2kki s VAL 140 Cb -0.16 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2kki s VAL 140 CO 0.56 -0.55 0.00 0.00 -3.33 0.00 0.00 175.10 171.78 2kki s LEU 142 N 0.00 2.32 -0.11 0.00 2.96 -1.24 -2.39 118.68 120.23 2kki s LEU 142 Ca 0.00 -0.67 -0.31 0.00 -0.22 0.00 0.00 54.13 52.94 2kki s LEU 142 Cb 0.00 0.09 0.12 0.00 0.50 0.00 0.00 46.19 46.90 2kki s LEU 142 CO 0.00 -0.38 1.01 0.00 -1.32 0.00 0.00 176.35 175.66 2kki s ALA 143 N -2.23 -1.92 -0.39 5.97 0.00 -0.95 -1.96 121.76 120.28 2kki s ALA 143 Ca -0.08 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.28 2kki s ALA 143 Cb -0.04 -0.17 0.51 0.00 0.00 0.00 0.00 23.12 23.41 2kki s ALA 143 CO -0.03 -0.52 1.78 0.41 0.00 0.00 0.00 175.76 177.40 2kki n GLY 144 N 0.16 4.18 0.00 0.00 0.00 -0.58 -3.15 105.19 105.79 2kki n GLY 144 Ca -0.07 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.75 1.74 0.00 -0.02 0.00 -1.26 -4.97 105.19 99.93 2kki n GLY 145 Ca 0.48 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kki n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kki n PRO 146 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -3.50 135.00 131.83 2kki n PRO 146 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kki n PRO 146 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2kki n PRO 146 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kki n PRO 147 N 0.00 0.00 -2.27 0.52 -0.02 -1.26 -4.88 135.00 127.09 2kki n PRO 147 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2kki n PRO 147 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 2kki n PRO 147 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2kki s SER 148 N 0.00 6.91 -0.79 2.55 0.01 -1.23 -4.94 113.70 116.20 2kki s SER 148 Ca 0.00 2.13 -0.19 0.00 1.31 0.00 0.00 55.95 59.20 2kki s SER 148 Cb 0.00 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.78 2kki s SER 148 CO 0.00 -0.63 0.96 -0.63 0.41 0.00 0.00 173.24 173.35 2kki s ILE 149 N 1.72 4.78 -0.33 1.44 -1.09 -1.09 -4.83 121.20 121.80 2kki s ILE 149 Ca 0.62 -1.33 -0.00 0.00 -2.23 0.00 0.00 60.65 57.71 2kki s ILE 149 Cb -0.32 -4.66 0.29 0.00 -1.58 0.00 0.00 42.46 36.19 2kki s ILE 149 CO 0.28 -1.36 1.87 0.35 -1.23 0.00 0.00 174.94 174.84 2kki n THR 150 N 5.40 2.70 -3.77 2.92 -2.24 -1.26 0.13 114.28 118.17 2kki n THR 150 Ca 0.10 -1.61 -0.34 0.00 -2.27 0.00 0.00 64.05 59.93 2kki n THR 150 Cb 0.47 -1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.17 6.48 0.21 3.42 1.01 -1.26 -3.76 116.67 122.60 2kki s ASP 151 Ca 0.35 0.53 -0.00 0.00 0.71 0.00 0.00 52.55 54.13 2kki s ASP 151 Cb 0.28 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 42.09 2kki s ASP 151 CO 0.01 0.22 0.12 -0.36 0.21 0.00 0.00 175.17 175.37 2kki s PHE 152 N -1.36 1.23 -0.16 4.23 0.08 -0.10 -3.84 117.98 118.06 2kki s PHE 152 Ca 0.30 -1.33 -0.24 0.00 0.12 0.00 0.00 56.93 55.77 2kki s PHE 152 Cb -0.13 -0.63 0.06 0.00 -0.57 0.00 0.00 43.02 41.75 2kki s PHE 152 CO 0.18 -0.57 0.63 -0.65 -0.10 0.00 0.00 175.22 174.71 2kki s GLN 153 N -4.13 0.84 -0.38 0.44 -0.21 0.41 0.15 119.66 116.79 2kki s GLN 153 Ca 0.38 0.61 -0.17 0.00 0.02 0.00 0.00 55.36 56.20 2kki s GLN 153 Cb 0.07 0.40 0.00 0.00 1.00 0.00 0.00 33.01 34.49 2kki s GLN 153 CO 0.12 -0.17 0.45 0.96 -2.12 0.00 0.00 175.29 174.53 2kki s ILE 154 N -0.27 5.07 -0.22 1.08 -4.36 -1.25 -2.59 121.20 118.65 2kki s ILE 154 Ca -0.05 0.03 -0.05 0.00 -0.26 0.00 0.00 60.65 60.32 2kki s ILE 154 Cb -0.03 -3.96 -0.02 0.00 1.25 0.00 0.00 42.46 39.70 2kki s ILE 154 CO 0.04 -0.27 -0.00 -0.76 0.24 0.00 0.00 174.94 174.19 2kki s LEU 155 N 2.24 3.14 0.46 0.37 1.43 0.14 -4.88 118.68 121.57 2kki s LEU 155 Ca 0.15 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 2kki s LEU 155 Cb -0.16 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2kki s LEU 155 CO 0.13 0.00 0.77 -0.70 0.23 0.00 0.00 176.35 176.78 2kki s GLU 156 N 1.38 3.59 0.53 1.70 2.12 -1.26 -1.49 118.70 125.26 2kki s GLU 156 Ca 0.05 0.23 -0.09 0.00 0.36 0.00 0.00 54.97 55.52 2kki s GLU 156 Cb -0.15 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 2kki s GLU 156 CO 0.00 -0.15 0.89 1.21 -0.54 0.00 0.00 175.26 176.67 2kki s ASN 157 N -3.89 6.30 -0.01 -1.70 2.47 -1.26 -4.68 114.94 112.17 2kki s ASN 157 Ca 0.48 1.18 -0.24 0.00 0.42 0.00 0.00 52.86 54.70 2kki s ASN 157 Cb -0.10 -2.36 -0.16 0.00 -1.45 0.00 0.00 41.25 37.18 2kki s ASN 157 CO 0.42 -0.67 1.14 -0.61 -3.72 0.00 0.00 177.10 173.65 2kki h GLN 158 N 0.17 -0.33 -0.02 0.43 4.15 -1.93 -3.49 115.11 114.09 2kki h GLN 158 Ca -0.46 0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2kki h GLN 158 Cb 1.20 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2kki h GLN 158 CO 0.62 0.02 0.00 0.00 -1.93 0.00 0.00 178.83 177.54