#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 5.24 -0.14 3.44 1.01 -1.26 -4.69 120.40 124.00 2kki s VAL 10 Ca 0.00 0.74 -0.07 0.00 0.00 0.00 0.00 61.98 62.65 2kki s VAL 10 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2kki s VAL 10 CO 0.00 0.38 0.11 -0.54 0.00 0.00 0.00 175.10 175.05 2kki s LYS 11 N 0.42 3.58 -0.34 2.72 3.01 -1.19 -5.01 119.74 122.92 2kki s LYS 11 Ca 0.21 -0.20 -0.07 0.00 -1.01 0.00 0.00 55.97 54.90 2kki s LYS 11 Cb -0.14 -3.19 0.04 0.00 -1.01 0.00 0.00 37.83 33.53 2kki s LYS 11 CO 0.07 0.63 0.12 0.71 0.51 0.00 0.00 175.35 177.39 2kki s TYR 12 N -0.61 3.26 -0.42 3.18 1.51 -1.26 0.54 117.35 123.55 2kki s TYR 12 Ca 0.12 -1.43 -0.03 0.00 -1.01 0.00 0.00 57.07 54.72 2kki s TYR 12 Cb -0.12 -2.33 0.11 0.00 -0.11 0.00 0.00 41.96 39.51 2kki s TYR 12 CO 0.02 -0.74 0.23 -0.80 -1.11 0.00 0.00 175.55 173.15 2kki s ASN 13 N 1.45 5.30 -0.20 2.29 -0.87 -0.86 -4.69 114.94 117.36 2kki s ASN 13 Ca -0.01 -2.05 -0.23 0.00 -1.57 0.00 0.00 52.86 49.00 2kki s ASN 13 Cb -0.20 -1.85 -0.02 0.00 -0.02 0.00 0.00 41.25 39.17 2kki s ASN 13 CO 0.03 -0.55 0.72 0.12 -2.57 0.00 0.00 177.10 174.85 2kki s PHE 14 N 1.12 3.37 -0.00 2.20 5.36 0.18 -3.73 117.98 126.49 2kki s PHE 14 Ca 0.08 1.05 -0.00 0.00 -0.96 0.00 0.00 56.93 57.10 2kki s PHE 14 Cb -0.23 -2.91 -0.00 0.00 -0.34 0.00 0.00 43.02 39.54 2kki s PHE 14 CO -0.04 -0.24 -0.00 -0.12 -1.46 0.00 0.00 175.22 173.36 2kki n MET 15 N 5.31 0.00 -3.59 10.12 0.00 -1.14 -2.90 117.12 124.92 2kki n MET 15 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.70 57.63 2kki n MET 15 Cb 0.49 -0.25 -0.05 0.00 0.00 0.00 0.00 33.22 33.41 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 -1.00 0.50 -0.42 2.12 3.03 -1.21 -4.92 118.95 117.05 2kki s ARG 16 Ca -0.00 0.15 -0.28 0.00 2.03 0.00 0.00 55.73 57.62 2kki s ARG 16 Cb 0.00 0.24 0.02 0.00 -1.03 0.00 0.00 34.95 34.18 2kki s ARG 16 CO 0.00 -0.15 1.08 0.42 -1.13 0.00 0.00 175.30 175.52 2kki s ILE 17 N -1.01 4.36 0.00 4.99 1.01 -1.26 -0.17 121.20 129.12 2kki s ILE 17 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2kki s ILE 17 Cb -0.01 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.96 2kki s ILE 17 CO -0.00 -0.78 0.00 -0.38 0.00 0.00 0.00 174.94 173.77 2kki n ILE 18 N 6.42 0.00 -3.93 2.92 5.41 -0.94 -4.95 119.36 124.28 2kki n ILE 18 Ca 0.11 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.64 2kki n ILE 18 Cb 0.48 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.37 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 1.91 2.65 0.10 0.38 1.02 -1.13 -4.88 119.74 119.80 2kki s LYS 19 Ca 0.00 -1.33 -0.13 0.00 0.02 0.00 0.00 55.97 54.54 2kki s LYS 19 Cb 0.00 -2.41 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2kki s LYS 19 CO 0.00 0.15 0.30 1.52 -0.92 0.00 0.00 175.35 176.40 2kki s TYR 20 N -2.31 -0.04 -1.41 3.18 1.13 -1.26 -0.34 117.35 116.29 2kki s TYR 20 Ca 0.39 -0.32 -0.09 0.00 -1.41 0.00 0.00 57.07 55.64 2kki s TYR 20 Cb -0.05 0.11 0.02 0.00 -1.10 0.00 0.00 41.96 40.93 2kki s TYR 20 CO 0.25 -0.62 1.07 0.39 -2.51 0.00 0.00 175.55 174.13 2kki n GLU 21 N -0.10 -7.17 -4.02 -3.49 1.02 -0.73 -4.95 120.64 101.20 2kki n GLU 21 Ca -0.16 0.81 -0.29 0.00 -0.02 0.00 0.00 57.16 57.50 2kki n GLU 21 Cb 0.63 -5.81 -0.05 0.00 -0.02 0.00 0.00 31.44 26.18 2kki n GLU 21 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2kki s PHE 22 N -3.29 3.28 -0.17 -0.32 -0.12 -1.22 -4.92 117.98 111.22 2kki s PHE 22 Ca 0.56 0.09 -0.11 0.00 -0.05 0.00 0.00 56.93 57.41 2kki s PHE 22 Cb -0.25 -1.62 -0.05 0.00 -0.63 0.00 0.00 43.02 40.47 2kki s PHE 22 CO 0.69 0.53 0.20 0.42 -0.05 0.00 0.00 175.22 177.01 2kki s ILE 23 N -1.55 5.37 -0.27 -4.49 -1.09 -1.12 -2.45 121.20 115.59 2kki s ILE 23 Ca 0.31 0.34 -0.11 0.00 -2.23 0.00 0.00 60.65 58.96 2kki s ILE 23 Cb -0.12 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 2kki s ILE 23 CO 0.24 0.44 0.19 -0.22 -1.23 0.00 0.00 174.94 174.37 2kki s LEU 24 N 0.21 4.04 0.01 2.97 2.96 -1.26 -1.20 118.68 126.41 2kki s LEU 24 Ca 0.12 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2kki s LEU 24 Cb -0.12 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 2kki s LEU 24 CO 0.01 -0.03 -0.05 0.21 -1.32 0.00 0.00 176.35 175.17 2kki s ASN 25 N 1.60 0.63 0.65 3.68 3.84 -0.87 -0.81 114.94 123.67 2kki s ASN 25 Ca 0.07 -0.20 -0.01 0.00 0.21 0.00 0.00 52.86 52.94 2kki s ASN 25 Cb -0.15 -0.04 0.10 0.00 -0.55 0.00 0.00 41.25 40.61 2kki s ASN 25 CO 0.10 -0.00 0.71 -0.90 -2.79 0.00 0.00 177.10 174.21 2kki n ASP 26 N 2.60 0.90 0.23 -4.21 5.68 -1.25 0.19 116.55 120.69 2kki n ASP 26 Ca -0.15 -1.77 0.16 0.00 -0.50 0.00 0.00 54.79 52.53 2kki n ASP 26 Cb 0.57 -0.47 0.65 0.00 -1.14 0.00 0.00 41.12 40.74 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 -0.63 1.00 0.00 2.12 0.00 -1.83 0.23 119.26 120.14 2kki h ALA 27 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kki h ALA 27 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2kki h ALA 27 CO 0.25 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.43 2kki h LEU 28 N 0.00 0.00 -2.48 0.00 3.38 -1.91 -3.48 115.31 110.81 2kki h LEU 28 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2kki h LEU 28 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kki h LEU 28 CO 0.00 0.00 -0.35 0.59 0.09 0.00 0.00 178.44 178.77 2kki n ASN 29 N -2.55 -7.57 -3.67 -0.43 5.03 0.82 -4.99 115.26 101.91 2kki n ASN 29 Ca 0.04 0.13 -0.23 0.00 0.87 0.00 0.00 54.58 55.39 2kki n ASN 29 Cb 0.42 -4.93 -0.17 0.00 -1.02 0.00 0.00 39.78 34.07 2kki n ASN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kki s GLN 30 N -2.92 0.15 0.02 3.52 0.00 -1.26 -3.91 119.66 115.26 2kki s GLN 30 Ca 0.13 0.10 -0.30 0.00 -0.00 0.00 0.00 55.36 55.28 2kki s GLN 30 Cb -0.03 -1.21 -0.07 0.00 0.00 0.00 0.00 33.01 31.70 2kki s GLN 30 CO 0.77 -0.48 1.63 -1.12 0.00 0.00 0.00 175.29 176.09 2kki s SER 31 N 2.10 6.66 -0.53 12.60 0.01 0.84 -3.84 113.70 131.53 2kki s SER 31 Ca 0.03 2.35 -0.28 0.00 1.31 0.00 0.00 55.95 59.37 2kki s SER 31 Cb -0.14 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 2kki s SER 31 CO -0.06 -0.88 1.63 -0.51 0.41 0.00 0.00 173.24 173.84 2kki s ILE 32 N 3.13 3.58 0.17 1.44 2.07 0.01 -0.91 121.20 130.70 2kki s ILE 32 Ca 0.73 0.48 0.02 0.00 -1.41 0.00 0.00 60.65 60.47 2kki s ILE 32 Cb -0.36 -4.12 -0.04 0.00 0.13 0.00 0.00 42.46 38.07 2kki s ILE 32 CO 0.31 -0.94 0.32 -0.63 -1.91 0.00 0.00 174.94 172.09 2kki s ILE 33 N 7.19 5.29 -0.31 2.00 1.01 -0.47 -2.81 121.20 133.11 2kki s ILE 33 Ca 0.63 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 2kki s ILE 33 Cb -0.14 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.58 2kki s ILE 33 CO 0.25 -0.14 1.21 -0.60 0.00 0.00 0.00 174.94 175.66 2kki s ARG 34 N -3.36 3.99 -0.10 2.79 3.52 -1.26 -2.22 118.95 122.31 2kki s ARG 34 Ca 0.35 1.18 -0.04 0.00 -0.13 0.00 0.00 55.73 57.09 2kki s ARG 34 Cb -0.11 -3.82 -0.26 0.00 -1.56 0.00 0.00 34.95 29.20 2kki s ARG 34 CO 0.29 -1.02 0.44 0.00 -0.81 0.00 0.00 175.30 174.19 2kki h ALA 35 N 8.76 0.46 -2.66 6.12 0.00 -1.79 -3.47 119.26 126.69 2kki h ALA 35 Ca -0.24 -1.38 -0.10 0.00 0.00 0.00 0.00 54.91 53.18 2kki h ALA 35 Cb 1.08 0.66 -0.12 0.00 0.00 0.00 0.00 17.79 19.40 2kki h ALA 35 CO 1.03 1.33 -0.31 1.21 0.00 0.00 0.00 179.25 182.51 2kki s ASN 36 N -6.93 0.03 0.00 0.00 2.47 0.14 -4.97 114.94 105.68 2kki s ASN 36 Ca -0.19 -0.89 0.22 0.00 0.42 0.00 0.00 52.86 52.42 2kki s ASN 36 Cb 0.07 0.45 1.26 0.00 -1.45 0.00 0.00 41.25 41.58 2kki s ASN 36 CO 0.78 -0.91 1.70 -0.90 -3.72 0.00 0.00 177.10 174.05 2kki n ASP 37 N -0.23 0.00 0.00 -4.21 5.75 -1.26 -2.75 116.55 113.85 2kki n ASP 37 Ca -0.07 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 2kki n ASP 37 Cb 0.63 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2kki n ASP 37 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2kki n GLN 38 N -1.07 1.28 -4.52 0.11 7.27 -1.26 -4.72 117.38 114.46 2kki n GLN 38 Ca 0.15 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.97 2kki n GLN 38 Cb 0.10 -0.93 -0.13 0.00 2.41 0.00 0.00 30.24 31.68 2kki n GLN 38 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2kki s TYR 39 N -1.75 1.86 -0.03 3.69 2.02 -1.11 -3.97 117.35 118.06 2kki s TYR 39 Ca 0.00 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 2kki s TYR 39 Cb 0.00 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 2kki s TYR 39 CO 0.00 0.15 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.85 2kki s LEU 40 N -1.49 1.85 -0.04 -1.29 2.96 -1.26 -0.68 118.68 118.72 2kki s LEU 40 Ca 0.08 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2kki s LEU 40 Cb -0.09 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 45.95 2kki s LEU 40 CO 0.03 0.10 -0.11 0.28 -1.32 0.00 0.00 176.35 175.33 2kki s THR 41 N 0.09 0.94 0.03 3.68 -1.32 -0.94 -0.50 115.64 117.62 2kki s THR 41 Ca -0.02 -0.43 -0.15 0.00 -1.21 0.00 0.00 61.69 59.88 2kki s THR 41 Cb -0.09 -0.84 -0.06 0.00 -1.51 0.00 0.00 72.50 70.00 2kki s THR 41 CO 0.01 0.29 0.45 0.00 -2.21 0.00 0.00 174.62 173.16 2kki s ALA 42 N 0.29 3.67 -0.14 11.08 0.00 -1.26 -1.37 121.76 134.03 2kki s ALA 42 Ca -0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 2kki s ALA 42 Cb -0.11 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 20.63 2kki s ALA 42 CO 0.01 0.47 0.34 0.00 0.00 0.00 0.00 175.76 176.59 2kki s ALA 43 N -1.13 -0.85 0.01 0.00 0.00 -0.09 -4.57 121.76 115.13 2kki s ALA 43 Ca 0.26 1.20 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 2kki s ALA 43 Cb -0.17 -0.73 -0.09 0.00 0.00 0.00 0.00 23.12 22.13 2kki s ALA 43 CO 0.15 -0.21 1.98 0.00 0.00 0.00 0.00 175.76 177.68 2kki n ALA 44 N 3.80 1.50 -1.79 0.00 0.00 -1.25 -0.11 120.51 122.65 2kki n ALA 44 Ca -0.20 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2kki n ALA 44 Cb 0.55 -2.67 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 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 4.59 3.44 0.00 0.00 2.01 -1.26 -4.81 118.68 122.65 2kki s LEU 45 Ca 0.90 1.58 0.00 0.00 0.01 0.00 0.00 54.13 56.62 2kki s LEU 45 Cb -0.47 -4.50 0.00 0.00 0.01 0.00 0.00 46.19 41.23 2kki s LEU 45 CO 0.43 -0.86 0.00 1.41 1.01 0.00 0.00 176.35 178.34 2kki n HIS 46 N -2.14 0.00 1.19 0.29 8.25 -1.26 -4.56 115.22 116.99 2kki n HIS 46 Ca 0.07 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.65 2kki n HIS 46 Cb 0.54 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.94 2kki n HIS 46 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kki n ASN 47 N -0.35 1.24 0.00 0.41 4.13 -1.26 -4.92 115.26 114.51 2kki n ASN 47 Ca 0.00 -1.02 0.00 0.00 1.68 0.00 0.00 54.58 55.24 2kki n ASN 47 Cb 0.00 0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 2kki n ASN 47 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kki n LEU 48 N -0.53 0.00 -4.51 3.41 4.77 -1.26 -3.63 117.00 115.25 2kki n LEU 48 Ca 0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 2kki n LEU 48 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 2kki n LEU 48 CO 0.27 0.00 1.41 -0.62 -1.33 0.00 0.00 177.39 177.11 2kki s ASP 49 N 0.00 6.75 0.00 -1.43 -1.08 -1.26 -4.07 116.67 115.58 2kki s ASP 49 Ca 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 52.55 49.82 2kki s ASP 49 Cb 0.00 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 2kki s ASP 49 CO 0.00 -1.12 0.00 1.21 0.52 0.00 0.00 175.17 175.78 2kki n GLU 50 N 7.27 0.96 -1.71 4.34 2.13 -1.26 -5.04 120.64 127.33 2kki n GLU 50 Ca 0.34 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.85 2kki n GLU 50 Cb 0.47 -0.28 0.04 0.00 0.27 0.00 0.00 31.44 31.94 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 -0.71 2.82 0.08 4.31 0.00 -1.26 -4.94 121.76 122.06 2kki s ALA 51 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 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 -1.06 1.33 0.14 0.00 0.00 0.00 175.76 176.17 2kki s VAL 52 N -3.13 3.60 -0.16 0.00 -7.23 -1.12 -4.85 120.40 107.50 2kki s VAL 52 Ca 0.57 1.13 -0.14 0.00 -1.81 0.00 0.00 61.98 61.72 2kki s VAL 52 Cb -0.13 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.05 2kki s VAL 52 CO 0.54 0.07 0.32 -1.59 -0.31 0.00 0.00 175.10 174.13 2kki s LYS 53 N 1.28 4.27 0.37 4.82 0.00 -1.26 -4.23 119.74 125.00 2kki s LYS 53 Ca 0.63 0.14 0.07 0.00 0.00 0.00 0.00 55.97 56.80 2kki s LYS 53 Cb -0.34 -3.43 -0.00 0.00 0.00 0.00 0.00 37.83 34.06 2kki s LYS 53 CO 0.29 0.22 0.52 -0.06 0.00 0.00 0.00 175.35 176.32 2kki s PHE 54 N 0.51 3.01 -0.03 1.78 0.40 -1.03 -0.26 117.98 122.36 2kki s PHE 54 Ca 0.18 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2kki s PHE 54 Cb -0.13 -2.15 0.02 0.00 0.51 0.00 0.00 43.02 41.27 2kki s PHE 54 CO 0.05 -0.17 -0.02 -0.51 0.70 0.00 0.00 175.22 175.26 2kki s ASP 55 N -4.24 0.67 -0.09 1.36 1.01 0.17 -1.77 116.67 113.78 2kki s ASP 55 Ca 0.49 -0.08 -0.02 0.00 0.71 0.00 0.00 52.55 53.65 2kki s ASP 55 Cb -0.10 -0.32 -0.03 0.00 1.01 0.00 0.00 42.92 43.48 2kki s ASP 55 CO 0.32 -0.07 0.00 -0.04 0.21 0.00 0.00 175.17 175.60 2kki s MET 56 N 0.89 3.05 -0.03 8.23 -1.94 0.54 -2.36 119.30 127.67 2kki s MET 56 Ca -0.10 -0.41 -0.00 0.00 -1.71 0.00 0.00 55.69 53.47 2kki s MET 56 Cb -0.13 -2.82 0.03 0.00 2.01 0.00 0.00 34.83 33.92 2kki s MET 56 CO -0.01 0.67 0.03 0.20 -0.01 0.00 0.00 175.02 175.91 2kki s GLY 57 N -0.80 0.18 0.35 -0.03 0.00 -1.17 -2.22 107.32 103.64 2kki s GLY 57 Ca 0.12 0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 2kki s GLY 57 CO 0.02 0.87 0.71 0.00 0.00 0.00 0.00 173.10 174.70 2kki s ALA 58 N 1.38 3.39 0.13 3.20 0.00 0.76 0.73 121.76 131.36 2kki s ALA 58 Ca -0.05 -0.17 0.11 0.00 0.00 0.00 0.00 51.96 51.85 2kki s ALA 58 Cb -0.13 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2kki s ALA 58 CO -0.03 0.18 -0.26 0.71 0.00 0.00 0.00 175.76 176.36 2kki s TYR 59 N -2.16 2.26 -0.09 0.00 2.02 0.66 -2.87 117.35 117.18 2kki s TYR 59 Ca 0.51 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.79 2kki s TYR 59 Cb -0.10 -1.21 0.05 0.00 -0.40 0.00 0.00 41.96 40.29 2kki s TYR 59 CO 0.26 0.34 0.17 0.15 -1.57 0.00 0.00 175.55 174.90 2kki s LYS 60 N -2.11 0.07 0.07 -0.62 -0.14 -1.14 -4.04 119.74 111.82 2kki s LYS 60 Ca 0.14 0.54 -0.03 0.00 -1.36 0.00 0.00 55.97 55.25 2kki s LYS 60 Cb -0.10 -0.21 -0.03 0.00 -1.68 0.00 0.00 37.83 35.81 2kki s LYS 60 CO 0.06 -0.26 0.04 -1.54 -0.76 0.00 0.00 175.35 172.90 2kki s SER 61 N 1.97 0.36 -0.31 2.83 1.04 -1.26 -3.64 113.70 114.69 2kki s SER 61 Ca -0.01 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.47 2kki s SER 61 Cb -0.12 0.25 0.05 0.00 0.10 0.00 0.00 66.02 66.30 2kki s SER 61 CO -0.06 -0.65 2.66 -1.20 0.98 0.00 0.00 173.24 174.96 2kki n SER 62 N 0.04 6.20 -1.12 7.02 7.64 -1.26 -3.85 113.62 128.29 2kki n SER 62 Ca -0.13 -3.00 -0.00 0.00 1.01 0.00 0.00 58.87 56.74 2kki n SER 62 Cb 0.62 -1.21 0.14 0.00 -1.01 0.00 0.00 64.21 62.74 2kki n SER 62 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kki n LYS 63 N 1.03 1.70 0.00 1.43 5.02 -1.26 -5.00 118.16 121.08 2kki n LYS 63 Ca 0.40 -3.26 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 2kki n LYS 63 Cb 0.62 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 2kki n LYS 63 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kki n ASP 64 N -0.75 0.00 0.00 4.39 8.00 -1.25 -5.10 116.55 121.84 2kki n ASP 64 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2kki n ASP 64 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 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 -4.95 116.55 109.83 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 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.60 2.10 -3.03 -1.67 0.00 -1.26 -5.09 120.51 109.96 2kki n ALA 66 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 53.44 51.62 2kki n ALA 66 Cb 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.27 0.28 0.06 0.00 -0.14 -1.26 -5.15 119.74 112.27 2kki s LYS 67 Ca 0.14 -0.14 0.01 0.00 -1.36 0.00 0.00 55.97 54.63 2kki s LYS 67 Cb 0.12 0.12 -0.04 0.00 -1.68 0.00 0.00 37.83 36.35 2kki s LYS 67 CO 0.01 -0.06 0.14 0.96 -0.76 0.00 0.00 175.35 175.64 2kki s ILE 68 N -0.65 4.93 -0.14 2.17 -5.25 -1.26 -4.74 121.20 116.25 2kki s ILE 68 Ca -0.07 -0.57 -0.04 0.00 -0.99 0.00 0.00 60.65 58.97 2kki s ILE 68 Cb -0.04 -3.38 -0.03 0.00 2.95 0.00 0.00 42.46 41.96 2kki s ILE 68 CO 0.01 0.15 0.00 0.42 -1.79 0.00 0.00 174.94 173.73 2kki s THR 69 N -1.42 4.27 0.22 8.37 -4.23 -1.26 -3.57 115.64 118.02 2kki s THR 69 Ca 0.31 -0.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.63 2kki s THR 69 Cb -0.13 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 2kki s THR 69 CO 0.24 0.51 -0.02 0.68 -0.54 0.00 0.00 174.62 175.49 2kki s VAL 70 N 0.03 1.08 -0.18 2.29 -7.23 -0.55 -0.24 120.40 115.60 2kki s VAL 70 Ca 0.02 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.08 2kki s VAL 70 Cb -0.13 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2kki s VAL 70 CO 0.02 -0.40 0.06 -0.63 -0.31 0.00 0.00 175.10 173.84 2kki s ILE 71 N -3.39 4.77 -0.29 -0.62 1.01 0.22 -2.37 121.20 120.53 2kki s ILE 71 Ca 0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 2kki s ILE 71 Cb 0.05 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2kki s ILE 71 CO 0.07 0.47 0.09 -0.22 0.00 0.00 0.00 174.94 175.35 2kki s LEU 72 N 0.31 3.80 0.03 2.97 2.96 -1.26 -3.03 118.68 124.46 2kki s LEU 72 Ca 0.03 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2kki s LEU 72 Cb -0.12 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 2kki s LEU 72 CO 0.00 -0.16 -0.07 0.00 -1.32 0.00 0.00 176.35 174.80 2kki s ARG 73 N 1.53 0.49 -0.12 1.98 1.70 -0.99 -1.98 118.95 121.56 2kki s ARG 73 Ca 0.04 -0.66 -0.24 0.00 -0.47 0.00 0.00 55.73 54.40 2kki s ARG 73 Cb -0.17 -0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 33.92 2kki s ARG 73 CO 0.03 0.05 0.73 0.96 -1.08 0.00 0.00 175.30 175.99 2kki s ILE 74 N -1.20 4.99 0.61 4.99 -4.36 -0.97 0.42 121.20 125.67 2kki s ILE 74 Ca -0.09 1.47 0.28 0.00 -0.26 0.00 0.00 60.65 62.04 2kki s ILE 74 Cb -0.09 -4.06 0.35 0.00 1.25 0.00 0.00 42.46 39.92 2kki s ILE 74 CO 0.00 0.15 1.78 -1.28 0.24 0.00 0.00 174.94 175.84 2kki h SER 75 N 7.08 0.00 0.00 4.36 0.87 -0.91 -3.30 113.55 121.64 2kki h SER 75 Ca -0.35 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2kki h SER 75 Cb 1.17 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2kki h SER 75 CO 0.78 0.00 -0.07 0.50 -0.53 0.00 0.00 176.83 177.51 2kki h LYS 76 N 0.00 0.00 -5.77 2.24 3.64 -1.92 -3.47 116.57 111.29 2kki h LYS 76 Ca 0.20 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.99 2kki h LYS 76 Cb 1.35 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.08 2kki h LYS 76 CO -0.00 0.07 -0.47 0.95 -2.27 0.00 0.00 179.45 177.73 2kki s THR 77 N -1.68 1.98 -1.14 1.00 -4.23 -1.24 -5.04 115.64 105.29 2kki s THR 77 Ca -0.03 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 2kki s THR 77 Cb 0.00 -2.71 0.26 0.00 1.34 0.00 0.00 72.50 71.39 2kki s THR 77 CO 0.08 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 175.81 2kki n GLN 78 N -1.32 4.32 -3.53 3.99 1.13 -1.26 -4.40 117.38 116.31 2kki n GLN 78 Ca -0.04 -4.24 -0.41 0.00 -1.94 0.00 0.00 57.00 50.37 2kki n GLN 78 Cb 0.65 -2.63 -0.11 0.00 0.11 0.00 0.00 30.24 28.27 2kki n GLN 78 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2kki s LEU 79 N -2.14 4.75 0.18 1.08 1.02 -1.26 -3.31 118.68 118.99 2kki s LEU 79 Ca 0.35 -0.73 0.06 0.00 0.02 0.00 0.00 54.13 53.83 2kki s LEU 79 Cb 0.08 -2.11 -0.04 0.00 0.02 0.00 0.00 46.19 44.14 2kki s LEU 79 CO 0.06 -0.34 0.10 -0.31 0.02 0.00 0.00 176.35 175.87 2kki s TYR 80 N 1.66 3.04 -0.22 0.29 1.51 0.15 -2.30 117.35 121.48 2kki s TYR 80 Ca 0.05 -0.07 -0.24 0.00 -1.01 0.00 0.00 57.07 55.80 2kki s TYR 80 Cb -0.18 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2kki s TYR 80 CO 0.09 0.52 0.81 0.08 -1.11 0.00 0.00 175.55 175.95 2kki s VAL 81 N -1.80 4.86 0.06 0.71 1.01 -0.84 -0.77 120.40 123.64 2kki s VAL 81 Ca 0.30 1.55 -0.07 0.00 0.00 0.00 0.00 61.98 63.76 2kki s VAL 81 Cb -0.09 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2kki s VAL 81 CO 0.22 -0.03 0.32 0.42 0.00 0.00 0.00 175.10 176.03 2kki s THR 82 N 2.60 5.22 -0.27 3.92 -4.23 -0.58 -3.37 115.64 118.94 2kki s THR 82 Ca 0.35 0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.95 2kki s THR 82 Cb -0.16 -3.60 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 2kki s THR 82 CO 0.09 0.27 0.16 0.00 -0.54 0.00 0.00 174.62 174.60 2kki s ALA 83 N -1.40 3.46 0.00 3.99 0.00 -0.79 -3.06 121.76 123.95 2kki s ALA 83 Ca 0.32 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2kki s ALA 83 Cb -0.13 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.62 2kki s ALA 83 CO 0.19 -0.49 0.00 0.94 0.00 0.00 0.00 175.76 176.40 2kki n GLN 84 N 4.92 0.00 -3.45 0.00 7.27 -1.26 -4.91 117.38 119.95 2kki n GLN 84 Ca -0.15 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.76 2kki n GLN 84 Cb 0.52 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 33.06 2kki n GLN 84 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2kki s ASP 85 N -1.00 1.22 0.92 1.69 2.15 -1.26 -4.90 116.67 115.49 2kki s ASP 85 Ca 0.00 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.74 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 -0.33 0.00 1.21 -0.17 0.00 0.00 175.17 175.88 2kki n GLU 86 N 5.33 0.00 -1.85 4.34 4.07 -1.03 -3.42 120.64 128.07 2kki n GLU 86 Ca -0.04 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.73 2kki n GLU 86 Cb 0.49 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.81 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 1.68 3.03 -3.68 4.31 -0.08 -0.81 -3.12 116.55 117.88 2kki n ASP 87 Ca 0.00 -2.71 -0.11 0.00 -1.51 0.00 0.00 54.79 50.47 2kki n ASP 87 Cb 0.00 -1.58 -0.11 0.00 2.34 0.00 0.00 41.12 41.77 2kki n ASP 87 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kki s GLN 88 N 5.96 0.29 0.58 -0.67 -1.52 -1.22 -4.91 119.66 118.18 2kki s GLN 88 Ca 0.65 0.81 -0.20 0.00 -1.95 0.00 0.00 55.36 54.66 2kki s GLN 88 Cb 0.04 0.06 -0.03 0.00 -0.22 0.00 0.00 33.01 32.85 2kki s GLN 88 CO 0.13 -0.21 1.33 -1.25 -0.25 0.00 0.00 175.29 175.04 2kki s PRO 89 N 1.91 2.92 0.21 2.91 0.04 -1.26 -2.90 135.00 138.83 2kki s PRO 89 Ca -0.05 2.16 -0.32 0.00 0.04 0.00 0.00 61.00 62.83 2kki s PRO 89 Cb -0.10 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 2kki s PRO 89 CO -0.11 -1.34 1.67 0.14 0.04 0.00 0.00 177.00 177.40 2kki s VAL 90 N -1.35 2.14 0.01 -0.36 -7.23 -1.00 -4.78 120.40 107.84 2kki s VAL 90 Ca 0.76 0.10 -0.08 0.00 -1.81 0.00 0.00 61.98 60.96 2kki s VAL 90 Cb -0.39 -3.07 -0.05 0.00 0.56 0.00 0.00 36.38 33.43 2kki s VAL 90 CO 0.44 0.01 0.29 -0.76 -0.31 0.00 0.00 175.10 174.77 2kki s LEU 91 N 0.91 4.38 -0.57 1.32 1.43 -1.17 -4.77 118.68 120.20 2kki s LEU 91 Ca 0.72 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 54.25 2kki s LEU 91 Cb -0.48 -2.65 0.10 0.00 0.03 0.00 0.00 46.19 43.18 2kki s LEU 91 CO 0.34 0.26 0.65 -0.76 0.23 0.00 0.00 176.35 177.07 2kki s LEU 92 N -1.66 5.48 -0.20 1.79 1.43 -1.25 -1.52 118.68 122.74 2kki s LEU 92 Ca 0.27 -1.42 -0.17 0.00 -1.03 0.00 0.00 54.13 51.77 2kki s LEU 92 Cb -0.13 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2kki s LEU 92 CO 0.15 -1.03 0.47 -1.59 0.23 0.00 0.00 176.35 174.58 2kki s LYS 93 N 2.46 4.19 -0.83 1.70 -2.85 0.05 -4.83 119.74 119.62 2kki s LYS 93 Ca 0.10 0.32 -0.18 0.00 -1.00 0.00 0.00 55.97 55.22 2kki s LYS 93 Cb -0.25 -3.55 0.15 0.00 -2.06 0.00 0.00 37.83 32.12 2kki s LYS 93 CO 0.06 -0.09 0.95 -2.00 0.10 0.00 0.00 175.35 174.37 2kki s GLU 94 N 1.47 3.48 -0.23 1.78 2.12 -1.26 0.33 118.70 126.38 2kki s GLU 94 Ca 0.22 -1.82 0.02 0.00 0.36 0.00 0.00 54.97 53.75 2kki s GLU 94 Cb -0.15 -4.63 0.04 0.00 0.26 0.00 0.00 34.13 29.65 2kki s GLU 94 CO 0.09 -1.61 -0.13 1.41 -0.54 0.00 0.00 175.26 174.48 2kki s MET 95 N 2.09 2.55 0.04 4.30 1.75 -1.21 -4.98 119.30 123.84 2kki s MET 95 Ca 0.24 -1.14 -0.30 0.00 -1.25 0.00 0.00 55.69 53.25 2kki s MET 95 Cb -0.10 -2.80 -0.04 0.00 2.84 0.00 0.00 34.83 34.72 2kki s MET 95 CO -0.05 -0.44 0.97 -1.25 -0.65 0.00 0.00 175.02 173.60 2kki s PRO 96 N 1.19 4.61 0.29 4.11 0.05 -1.26 -4.69 135.00 139.30 2kki s PRO 96 Ca -0.03 1.43 0.00 0.00 0.05 0.00 0.00 61.00 62.45 2kki s PRO 96 Cb -0.17 -3.43 0.00 0.00 0.05 0.00 0.00 34.50 30.95 2kki s PRO 96 CO -0.07 0.05 0.00 0.39 0.05 0.00 0.00 177.00 177.41 2kki n GLU 97 N 3.49 -2.21 -2.05 4.56 -0.58 -1.26 -4.86 120.64 117.74 2kki n GLU 97 Ca 0.05 1.69 -0.42 0.00 -0.42 0.00 0.00 57.16 58.05 2kki n GLU 97 Cb 0.50 -2.02 -0.03 0.00 -0.57 0.00 0.00 31.44 29.33 2kki n GLU 97 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2kki s ILE 98 N -3.94 3.63 0.37 -3.67 -1.09 -1.26 -4.99 121.20 110.26 2kki s ILE 98 Ca 0.00 0.75 -0.25 0.00 -2.23 0.00 0.00 60.65 58.92 2kki s ILE 98 Cb 0.00 -3.53 -0.09 0.00 -1.58 0.00 0.00 42.46 37.25 2kki s ILE 98 CO 0.00 -0.12 1.03 -2.84 -1.23 0.00 0.00 174.94 171.78 2kki s PRO 99 N 4.23 4.29 -0.01 2.79 0.02 -1.26 -4.95 135.00 140.11 2kki s PRO 99 Ca 0.73 1.49 0.15 0.00 0.02 0.00 0.00 61.00 63.38 2kki s PRO 99 Cb -0.31 -2.64 -0.19 0.00 0.02 0.00 0.00 34.50 31.38 2kki s PRO 99 CO 0.29 -0.02 0.49 1.63 -0.33 0.00 0.00 177.00 179.06 2kki n LYS 100 N 0.15 1.43 -3.89 5.54 5.02 -1.26 -4.85 118.16 120.30 2kki n LYS 100 Ca 0.04 -0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 55.99 2kki n LYS 100 Cb 0.49 -1.26 -0.17 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.67 1.07 -0.30 -0.18 -1.32 -1.26 -0.65 115.64 110.34 2kki s THR 101 Ca 0.01 -0.52 -0.10 0.00 -1.21 0.00 0.00 61.69 59.87 2kki s THR 101 Cb 0.10 -1.20 -0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2kki s THR 101 CO 0.61 0.20 0.17 -0.51 -2.21 0.00 0.00 174.62 172.88 2kki s ILE 102 N 1.66 4.85 -0.09 5.08 2.07 0.19 -4.68 121.20 130.28 2kki s ILE 102 Ca 0.02 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 59.08 2kki s ILE 102 Cb -0.14 -3.41 0.01 0.00 0.13 0.00 0.00 42.46 39.05 2kki s ILE 102 CO -0.08 0.14 -0.14 0.28 -1.91 0.00 0.00 174.94 173.22 2kki s THR 103 N 1.67 1.40 0.00 4.00 -1.32 -1.23 -3.18 115.64 116.98 2kki s THR 103 Ca 0.06 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 2kki s THR 103 Cb -0.17 -1.28 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 2kki s THR 103 CO 0.08 0.42 0.00 0.61 -2.21 0.00 0.00 174.62 173.52 2kki n GLY 104 N 4.07 0.00 0.19 6.08 0.00 -1.26 -2.96 105.19 111.30 2kki n GLY 104 Ca -0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.96 2kki n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kki h SER 105 N 0.00 0.00 0.00 1.61 4.64 -2.00 -2.85 113.55 114.94 2kki h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kki h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2kki h SER 105 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2kki n GLU 106 N -2.48 0.98 0.06 4.77 -0.58 -1.16 -3.42 120.64 118.81 2kki n GLU 106 Ca 0.00 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 2kki n GLU 106 Cb 0.16 -1.23 0.32 0.00 -0.57 0.00 0.00 31.44 30.12 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 -0.73 1.26 -0.04 2.62 5.66 -1.08 -1.51 114.28 120.46 2kki n THR 107 Ca 0.11 0.42 -0.06 0.00 -3.05 0.00 0.00 64.05 61.47 2kki n THR 107 Cb 0.05 -1.33 0.14 0.00 -1.55 0.00 0.00 70.33 67.64 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 0.63 -0.64 1.09 2.35 -1.86 -3.17 115.58 113.98 2kki h ASN 108 Ca 0.00 -0.22 -0.40 0.00 -0.55 0.00 0.00 56.30 55.13 2kki h ASN 108 Cb 0.15 -0.17 -0.19 0.00 0.05 0.00 0.00 38.32 38.16 2kki h ASN 108 CO 0.00 0.86 0.51 -0.11 -1.65 0.00 0.00 177.43 177.04 2kki n LEU 109 N -4.11 6.28 -4.81 1.61 7.94 -0.57 -1.89 117.00 121.44 2kki n LEU 109 Ca -0.00 -3.31 -0.36 0.00 -1.11 0.00 0.00 56.01 51.23 2kki n LEU 109 Cb 0.42 -0.90 -0.07 0.00 0.53 0.00 0.00 43.42 43.40 2kki n LEU 109 CO 0.43 1.12 -0.20 -0.76 -1.11 0.00 0.00 177.39 176.88 2kki s LEU 110 N -2.33 4.20 -0.09 -1.96 1.43 -1.20 -4.33 118.68 114.41 2kki s LEU 110 Ca 0.40 0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.81 2kki s LEU 110 Cb 0.32 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.56 2kki s LEU 110 CO 0.03 0.35 0.19 -0.36 0.23 0.00 0.00 176.35 176.78 2kki s PHE 111 N -0.66 -0.25 -0.55 0.29 0.08 -1.00 -4.08 117.98 111.81 2kki s PHE 111 Ca 0.13 0.68 -0.25 0.00 0.12 0.00 0.00 56.93 57.60 2kki s PHE 111 Cb -0.12 -0.13 0.04 0.00 -0.57 0.00 0.00 43.02 42.24 2kki s PHE 111 CO 0.02 -0.26 1.00 0.12 -0.10 0.00 0.00 175.22 176.00 2kki s PHE 112 N 1.91 2.76 -0.51 0.36 5.36 0.41 -1.48 117.98 126.79 2kki s PHE 112 Ca -0.02 0.12 -0.19 0.00 -0.96 0.00 0.00 56.93 55.87 2kki s PHE 112 Cb -0.12 -4.16 0.06 0.00 -0.34 0.00 0.00 43.02 38.46 2kki s PHE 112 CO -0.07 -1.38 0.64 -0.46 -1.46 0.00 0.00 175.22 172.50 2kki s TRP 113 N 4.16 3.03 -0.31 10.12 -0.00 -1.25 -1.49 118.94 133.19 2kki s TRP 113 Ca 0.34 -0.52 -0.09 0.00 -0.00 0.00 0.00 56.10 55.84 2kki s TRP 113 Cb -0.11 -3.58 0.01 0.00 -0.00 0.00 0.00 33.47 29.79 2kki s TRP 113 CO 0.21 -1.06 0.13 -2.00 -0.00 0.00 0.00 176.95 174.24 2kki s GLU 114 N 2.70 3.14 -0.25 5.86 2.12 -0.98 -4.97 118.70 126.32 2kki s GLU 114 Ca 0.16 -0.84 -0.14 0.00 0.36 0.00 0.00 54.97 54.51 2kki s GLU 114 Cb -0.19 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 2kki s GLU 114 CO 0.12 -0.48 0.30 0.99 -0.54 0.00 0.00 175.26 175.66 2kki s THR 115 N 1.55 5.24 -0.35 -1.70 2.01 -1.26 -0.30 115.64 120.83 2kki s THR 115 Ca 0.03 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2kki s THR 115 Cb -0.17 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 68.81 2kki s THR 115 CO 0.05 0.23 0.14 -2.28 -0.69 0.00 0.00 174.62 172.06 2kki s HIS 116 N 1.67 1.78 0.00 4.92 2.46 0.21 -4.98 115.29 121.35 2kki s HIS 116 Ca 0.13 -1.95 0.00 0.00 0.47 0.00 0.00 55.06 53.71 2kki s HIS 116 Cb -0.15 -1.75 0.00 0.00 -0.13 0.00 0.00 32.58 30.55 2kki s HIS 116 CO 0.09 -0.85 0.00 0.41 -2.47 0.00 0.00 174.74 171.91 2kki n GLY 117 N 4.45 1.49 0.11 1.59 0.00 -1.26 -2.59 105.19 108.98 2kki n GLY 117 Ca 0.02 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 1.20 -1.79 2.61 -1.04 -1.26 -5.01 114.28 108.99 2kki n THR 118 Ca 0.00 -0.45 -0.29 0.00 -2.04 0.00 0.00 64.05 61.27 2kki n THR 118 Cb 0.00 -1.26 0.10 0.00 -1.82 0.00 0.00 70.33 67.35 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 1.80 -0.04 -2.82 1.02 -1.07 -4.00 119.74 112.22 2kki s LYS 119 Ca -0.28 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.61 2kki s LYS 119 Cb 0.07 -1.92 0.07 0.00 -0.52 0.00 0.00 37.83 35.53 2kki s LYS 119 CO 0.48 -1.73 0.64 0.54 -0.92 0.00 0.00 175.35 174.36 2kki s ASN 120 N -4.40 -0.61 0.28 2.83 4.22 0.29 -0.62 114.94 116.94 2kki s ASN 120 Ca 0.62 0.62 0.09 0.00 -2.14 0.00 0.00 52.86 52.05 2kki s ASN 120 Cb -0.12 0.52 -0.04 0.00 1.28 0.00 0.00 41.25 42.89 2kki s ASN 120 CO 0.50 -0.61 0.04 -0.31 -2.04 0.00 0.00 177.10 174.68 2kki s TYR 121 N -1.35 2.74 -0.32 1.54 1.51 0.59 -0.41 117.35 121.66 2kki s TYR 121 Ca -0.11 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2kki s TYR 121 Cb -0.00 -1.29 0.10 0.00 -0.11 0.00 0.00 41.96 40.66 2kki s TYR 121 CO 0.08 0.56 0.12 -0.06 -1.11 0.00 0.00 175.55 175.14 2kki s PHE 122 N -2.32 1.61 0.04 2.71 0.08 -1.23 -2.32 117.98 116.54 2kki s PHE 122 Ca 0.33 -1.74 -0.19 0.00 0.12 0.00 0.00 56.93 55.45 2kki s PHE 122 Cb -0.06 -1.65 -0.06 0.00 -0.57 0.00 0.00 43.02 40.68 2kki s PHE 122 CO 0.21 -0.87 0.54 0.99 -0.10 0.00 0.00 175.22 176.00 2kki s THR 123 N 1.52 4.84 0.01 0.64 2.01 -0.56 -1.23 115.64 122.87 2kki s THR 123 Ca 0.11 1.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.95 2kki s THR 123 Cb -0.18 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.40 2kki s THR 123 CO -0.23 0.52 1.41 -0.55 -0.69 0.00 0.00 174.62 175.08 2kki s SER 124 N -0.86 6.84 0.44 3.53 0.15 -0.16 0.15 113.70 123.80 2kki s SER 124 Ca 0.28 2.14 0.25 0.00 0.70 0.00 0.00 55.95 59.32 2kki s SER 124 Cb -0.19 -2.56 0.76 0.00 -1.71 0.00 0.00 66.02 62.32 2kki s SER 124 CO 0.17 -0.72 1.75 0.58 1.20 0.00 0.00 173.24 176.23 2kki h VAL 125 N 4.86 0.33 -0.03 4.45 2.07 -1.89 -2.07 116.25 123.97 2kki h VAL 125 Ca -0.38 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 65.98 2kki h VAL 125 Cb 1.18 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2kki h VAL 125 CO 0.90 0.15 -0.15 0.00 0.02 0.00 0.00 177.57 178.50 2kki h ALA 126 N 1.84 0.06 -2.29 1.67 0.00 -1.87 -3.41 119.26 115.26 2kki h ALA 126 Ca -0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 2kki h ALA 126 Cb 0.85 -0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.32 2kki h ALA 126 CO 0.02 -0.00 -0.53 -1.01 0.00 0.00 0.00 179.25 177.73 2kki s HIS 127 N -3.62 -0.58 0.37 0.00 3.76 -1.08 -5.04 115.29 109.10 2kki s HIS 127 Ca -0.16 0.70 0.20 0.00 -0.15 0.00 0.00 55.06 55.65 2kki s HIS 127 Cb 0.02 -0.10 1.24 0.00 1.11 0.00 0.00 32.58 34.85 2kki s HIS 127 CO 0.72 -0.61 1.63 -1.35 -0.85 0.00 0.00 174.74 174.29 2kki h PRO 128 N 8.24 0.17 0.00 8.40 0.11 -1.68 -0.05 132.00 147.19 2kki h PRO 128 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2kki h PRO 128 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kki h PRO 128 CO 0.24 0.11 0.00 0.09 -0.21 0.00 0.00 178.00 178.24 2kki n ASN 129 N -5.04 0.00 -4.72 -2.05 4.13 -1.26 -3.84 115.26 102.49 2kki n ASN 129 Ca 0.35 0.25 -0.37 0.00 1.68 0.00 0.00 54.58 56.49 2kki n ASN 129 Cb 1.17 -0.34 -0.07 0.00 -1.54 0.00 0.00 39.78 38.99 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kki s LEU 130 N -2.69 4.23 -0.16 3.41 1.02 -0.03 0.22 118.68 124.68 2kki s LEU 130 Ca 0.08 0.53 -0.15 0.00 0.02 0.00 0.00 54.13 54.61 2kki s LEU 130 Cb 0.06 -2.42 0.04 0.00 0.02 0.00 0.00 46.19 43.89 2kki s LEU 130 CO 0.15 0.06 0.44 0.12 0.02 0.00 0.00 176.35 177.14 2kki s PHE 131 N 0.61 -0.49 -0.68 0.29 2.19 -1.15 -0.99 117.98 117.77 2kki s PHE 131 Ca 0.18 1.18 -0.23 0.00 0.33 0.00 0.00 56.93 58.38 2kki s PHE 131 Cb -0.13 0.17 0.06 0.00 -1.31 0.00 0.00 43.02 41.81 2kki s PHE 131 CO 0.05 -0.24 1.02 0.42 1.83 0.00 0.00 175.22 178.31 2kki s ILE 132 N 0.27 4.21 0.22 3.12 -1.09 -0.37 -2.75 121.20 124.82 2kki s ILE 132 Ca -0.00 -0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.16 2kki s ILE 132 Cb -0.03 -4.73 -0.05 0.00 -1.58 0.00 0.00 42.46 36.07 2kki s ILE 132 CO 0.00 -1.53 0.44 0.00 -1.23 0.00 0.00 174.94 172.62 2kki s ALA 133 N 4.37 3.76 -0.09 9.38 0.00 -0.97 -4.25 121.76 133.96 2kki s ALA 133 Ca 0.24 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.53 2kki s ALA 133 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 20.87 2kki s ALA 133 CO 0.11 0.42 -0.12 0.99 0.00 0.00 0.00 175.76 177.17 2kki s THR 134 N -1.89 1.20 0.03 0.00 2.01 0.31 -4.08 115.64 113.22 2kki s THR 134 Ca 0.41 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2kki s THR 134 Cb -0.11 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2kki s THR 134 CO 0.28 0.38 0.01 -0.54 -0.69 0.00 0.00 174.62 174.06 2kki s LYS 135 N 1.07 2.74 0.30 4.92 1.02 -1.26 -2.92 119.74 125.61 2kki s LYS 135 Ca -0.06 -0.67 0.15 0.00 0.02 0.00 0.00 55.97 55.40 2kki s LYS 135 Cb -0.15 -2.65 0.34 0.00 -0.52 0.00 0.00 37.83 34.86 2kki s LYS 135 CO -0.01 0.60 1.57 0.37 -0.92 0.00 0.00 175.35 176.96 2kki h GLN 136 N 4.02 0.00 0.00 1.68 5.75 -1.94 -3.36 115.11 121.26 2kki h GLN 136 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 2kki h GLN 136 Cb 1.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.72 2kki h GLN 136 CO 0.59 0.54 -0.66 -0.25 -2.65 0.00 0.00 178.83 176.40 2kki n ASP 137 N -3.47 3.17 -4.06 -0.69 8.00 -1.26 -4.77 116.55 113.47 2kki n ASP 137 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.35 2kki n ASP 137 Cb 0.65 0.26 0.07 0.00 -0.02 0.00 0.00 41.12 42.08 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 -1.64 -2.72 -1.76 1.24 4.01 -1.26 -4.97 117.16 110.06 2kki n TYR 138 Ca 0.00 -1.46 -0.32 0.00 -0.16 0.00 0.00 57.90 55.96 2kki n TYR 138 Cb 0.33 -0.47 0.04 0.00 -0.31 0.00 0.00 39.34 38.94 2kki n TYR 138 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2kki s TRP 139 N -1.91 2.81 -0.54 -0.72 0.51 -1.26 -4.01 118.94 113.82 2kki s TRP 139 Ca 0.47 1.52 -0.28 0.00 -2.12 0.00 0.00 56.10 55.69 2kki s TRP 139 Cb -0.03 -3.06 0.01 0.00 -0.81 0.00 0.00 33.47 29.59 2kki s TRP 139 CO 0.30 -1.44 1.41 0.14 -0.51 0.00 0.00 176.95 176.86 2kki s VAL 140 N -2.56 3.81 0.00 4.03 -7.23 0.34 -4.52 120.40 114.26 2kki s VAL 140 Ca 0.64 0.71 0.00 0.00 -1.81 0.00 0.00 61.98 61.52 2kki s VAL 140 Cb -0.18 -4.40 0.00 0.00 0.56 0.00 0.00 36.38 32.36 2kki s VAL 140 CO 0.44 -1.11 0.00 0.00 -0.31 0.00 0.00 175.10 174.12 2kki s LEU 142 N 0.00 2.32 -0.13 0.00 2.96 -1.14 -2.29 118.68 120.40 2kki s LEU 142 Ca 0.00 -0.66 -0.31 0.00 -0.22 0.00 0.00 54.13 52.94 2kki s LEU 142 Cb 0.00 -0.10 0.13 0.00 0.50 0.00 0.00 46.19 46.72 2kki s LEU 142 CO 0.00 -0.29 1.04 0.00 -1.32 0.00 0.00 176.35 175.78 2kki s ALA 143 N -1.99 -1.94 -0.39 5.97 0.00 -1.11 -1.93 121.76 120.36 2kki s ALA 143 Ca -0.05 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.37 2kki s ALA 143 Cb -0.06 -0.29 0.53 0.00 0.00 0.00 0.00 23.12 23.30 2kki s ALA 143 CO -0.01 -0.49 1.79 0.41 0.00 0.00 0.00 175.76 177.46 2kki n GLY 144 N 0.22 4.22 0.00 0.00 0.00 0.13 -2.93 105.19 106.83 2kki n GLY 144 Ca -0.07 -1.03 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 -0.81 1.96 0.00 -0.02 0.00 -1.26 -4.86 105.19 100.20 2kki n GLY 145 Ca 0.50 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.58 135.00 131.75 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 -2.32 0.52 -0.02 -1.26 -4.86 135.00 127.06 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 6.95 -0.75 2.55 0.01 -1.23 -4.93 113.70 116.29 2kki s SER 148 Ca 0.00 2.05 -0.19 0.00 1.31 0.00 0.00 55.95 59.13 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 -0.62 0.90 -0.63 0.41 0.00 0.00 173.24 173.30 2kki s ILE 149 N 1.83 4.81 -0.33 1.44 -1.09 -1.15 -4.85 121.20 121.87 2kki s ILE 149 Ca 0.61 -1.28 -0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2kki s ILE 149 Cb -0.30 -4.62 0.27 0.00 -1.58 0.00 0.00 42.46 36.23 2kki s ILE 149 CO 0.27 -1.30 1.89 0.35 -1.23 0.00 0.00 174.94 174.92 2kki n THR 150 N 5.38 2.71 -3.67 2.92 -2.24 -1.26 0.11 114.28 118.24 2kki n THR 150 Ca 0.06 -1.61 -0.35 0.00 -2.27 0.00 0.00 64.05 59.87 2kki n THR 150 Cb 0.46 -1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.10 6.58 0.23 3.42 1.11 -1.26 -4.18 116.67 122.47 2kki s ASP 151 Ca 0.34 0.68 0.00 0.00 0.18 0.00 0.00 52.55 53.76 2kki s ASP 151 Cb 0.27 -2.14 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 2kki s ASP 151 CO 0.01 0.23 0.14 -0.36 1.18 0.00 0.00 175.17 176.38 2kki s PHE 152 N -1.31 1.31 -0.22 4.23 0.08 0.46 -3.81 117.98 118.72 2kki s PHE 152 Ca 0.29 -1.38 -0.26 0.00 0.12 0.00 0.00 56.93 55.70 2kki s PHE 152 Cb -0.14 -0.64 0.07 0.00 -0.57 0.00 0.00 43.02 41.74 2kki s PHE 152 CO 0.16 -0.61 0.70 -0.65 -0.10 0.00 0.00 175.22 174.72 2kki s GLN 153 N -4.04 0.88 -0.46 0.44 -0.21 0.51 0.11 119.66 116.88 2kki s GLN 153 Ca 0.39 0.82 -0.19 0.00 0.02 0.00 0.00 55.36 56.40 2kki s GLN 153 Cb 0.06 0.42 0.04 0.00 1.00 0.00 0.00 33.01 34.53 2kki s GLN 153 CO 0.14 -0.15 0.57 -1.50 -2.12 0.00 0.00 175.29 172.23 2kki s ILE 154 N 0.02 4.93 -0.20 1.08 2.07 -1.26 -2.04 121.20 125.81 2kki s ILE 154 Ca -0.02 -0.28 -0.02 0.00 -1.41 0.00 0.00 60.65 58.91 2kki s ILE 154 Cb -0.04 -4.19 -0.00 0.00 0.13 0.00 0.00 42.46 38.36 2kki s ILE 154 CO 0.03 -0.62 -0.08 -1.48 -1.91 0.00 0.00 174.94 170.88 2kki s LEU 155 N 2.51 2.71 0.53 8.50 0.05 -0.34 -4.92 118.68 127.72 2kki s LEU 155 Ca 0.16 -0.44 -0.07 0.00 0.05 0.00 0.00 54.13 53.83 2kki s LEU 155 Cb -0.17 -1.67 -0.03 0.00 -2.05 0.00 0.00 46.19 42.27 2kki s LEU 155 CO 0.14 -0.00 0.86 -0.70 -0.55 0.00 0.00 176.35 176.10 2kki s GLU 156 N 1.35 3.46 0.69 1.48 2.12 -1.26 -2.81 118.70 123.73 2kki s GLU 156 Ca 0.04 0.30 -0.09 0.00 0.36 0.00 0.00 54.97 55.59 2kki s GLU 156 Cb -0.14 -2.29 0.04 0.00 0.26 0.00 0.00 34.13 32.00 2kki s GLU 156 CO -0.05 -0.36 1.03 0.54 -0.54 0.00 0.00 175.26 175.88 2kki s ASN 157 N -4.15 5.16 -0.07 -1.70 4.22 -1.26 -4.73 114.94 112.40 2kki s ASN 157 Ca 0.50 0.76 -0.19 0.00 -2.14 0.00 0.00 52.86 51.80 2kki s ASN 157 Cb -0.10 -1.53 -0.14 0.00 1.28 0.00 0.00 41.25 40.75 2kki s ASN 157 CO 0.47 -1.42 0.73 -0.61 -2.04 0.00 0.00 177.10 174.23 2kki h GLN 158 N -0.57 -0.18 0.00 3.55 4.15 -1.91 -3.48 115.11 116.67 2kki h GLN 158 Ca -0.45 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2kki h GLN 158 Cb 1.28 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.02 2kki h GLN 158 CO 0.62 0.25 0.00 0.00 -1.93 0.00 0.00 178.83 177.77