#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 4.82 -0.29 2.41 1.01 -1.26 -4.99 120.40 122.10 2kki s VAL 10 Ca 0.00 0.89 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 2kki s VAL 10 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kki s VAL 10 CO 0.00 0.26 0.19 -0.54 0.00 0.00 0.00 175.10 175.01 2kki s LYS 11 N -1.91 3.87 -0.38 2.72 3.01 -1.26 -5.05 119.74 120.74 2kki s LYS 11 Ca 0.38 -0.37 -0.10 0.00 -1.01 0.00 0.00 55.97 54.87 2kki s LYS 11 Cb -0.15 -3.66 0.04 0.00 -1.01 0.00 0.00 37.83 33.05 2kki s LYS 11 CO 0.19 -0.22 0.20 0.71 0.51 0.00 0.00 175.35 176.75 2kki s TYR 12 N 1.75 3.27 -0.42 3.18 2.02 -1.26 -0.22 117.35 125.66 2kki s TYR 12 Ca 0.07 -1.20 -0.02 0.00 -0.37 0.00 0.00 57.07 55.55 2kki s TYR 12 Cb -0.16 -2.54 0.11 0.00 -0.40 0.00 0.00 41.96 38.97 2kki s TYR 12 CO 0.11 -0.72 0.20 -0.80 -1.57 0.00 0.00 175.55 172.77 2kki s ASN 13 N 1.67 5.20 -0.20 2.29 0.01 -0.83 -4.45 114.94 118.62 2kki s ASN 13 Ca 0.01 -2.10 -0.22 0.00 -0.71 0.00 0.00 52.86 49.85 2kki s ASN 13 Cb -0.20 -1.81 -0.02 0.00 0.41 0.00 0.00 41.25 39.63 2kki s ASN 13 CO 0.05 -0.52 0.67 0.72 -1.51 0.00 0.00 177.10 176.51 2kki s PHE 14 N 1.04 3.37 0.00 2.20 -0.71 -0.03 -3.64 117.98 120.20 2kki s PHE 14 Ca 0.09 0.98 0.00 0.00 -1.04 0.00 0.00 56.93 56.96 2kki s PHE 14 Cb -0.22 -2.85 0.00 0.00 -1.21 0.00 0.00 43.02 38.73 2kki s PHE 14 CO -0.04 -0.22 0.00 -0.12 -1.34 0.00 0.00 175.22 173.50 2kki n MET 15 N 5.21 0.00 -3.57 1.99 1.56 -0.95 -2.81 117.12 118.55 2kki n MET 15 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.31 2kki n MET 15 Cb 0.49 -0.12 -0.05 0.00 2.15 0.00 0.00 33.22 35.69 2kki n MET 15 CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 2kki s ARG 16 N -0.74 0.69 -0.38 2.12 3.03 0.16 -4.95 118.95 118.88 2kki s ARG 16 Ca 0.00 0.19 -0.27 0.00 2.03 0.00 0.00 55.73 57.68 2kki s ARG 16 Cb 0.00 0.33 0.02 0.00 -1.03 0.00 0.00 34.95 34.27 2kki s ARG 16 CO 0.00 -0.21 1.01 0.42 -1.13 0.00 0.00 175.30 175.39 2kki s ILE 17 N -1.06 4.48 0.00 4.99 1.09 -1.26 -0.69 121.20 128.74 2kki s ILE 17 Ca -0.04 1.33 0.00 0.00 -1.10 0.00 0.00 60.65 60.85 2kki s ILE 17 Cb -0.01 -4.42 0.00 0.00 -1.06 0.00 0.00 42.46 36.97 2kki s ILE 17 CO 0.03 -0.64 0.00 -0.38 -0.10 0.00 0.00 174.94 173.85 2kki n ILE 18 N 6.16 0.00 -4.19 2.92 5.41 -0.97 -4.95 119.36 123.74 2kki n ILE 18 Ca 0.09 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.62 2kki n ILE 18 Cb 0.48 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.35 2kki n ILE 18 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2kki s LYS 19 N 1.91 2.64 0.12 0.38 2.47 -1.05 -4.91 119.74 121.31 2kki s LYS 19 Ca 0.00 -1.20 -0.11 0.00 -1.56 0.00 0.00 55.97 53.10 2kki s LYS 19 Cb 0.00 -2.39 0.01 0.00 -1.46 0.00 0.00 37.83 33.99 2kki s LYS 19 CO 0.00 0.39 0.27 1.52 0.16 0.00 0.00 175.35 177.69 2kki s TYR 20 N -2.19 0.11 -1.42 4.03 1.13 -1.26 -0.72 117.35 117.03 2kki s TYR 20 Ca 0.32 -0.50 -0.08 0.00 -1.41 0.00 0.00 57.07 55.39 2kki s TYR 20 Cb -0.07 0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.83 2kki s TYR 20 CO 0.23 -0.63 1.02 0.39 -2.51 0.00 0.00 175.55 174.05 2kki n GLU 21 N -0.14 -6.97 -4.04 -3.49 1.02 -0.34 -4.95 120.64 101.72 2kki n GLU 21 Ca -0.13 0.82 -0.21 0.00 -0.02 0.00 0.00 57.16 57.61 2kki n GLU 21 Cb 0.63 -5.82 -0.03 0.00 -0.02 0.00 0.00 31.44 26.20 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 -3.28 3.24 -0.19 -0.32 -0.12 -1.22 -4.94 117.98 111.15 2kki s PHE 22 Ca 0.53 -0.08 -0.13 0.00 -0.05 0.00 0.00 56.93 57.19 2kki s PHE 22 Cb -0.24 -1.49 -0.05 0.00 -0.63 0.00 0.00 43.02 40.62 2kki s PHE 22 CO 0.65 0.47 0.27 0.42 -0.05 0.00 0.00 175.22 176.98 2kki s ILE 23 N -2.08 5.31 -0.27 -4.49 -1.09 -0.23 -2.98 121.20 115.37 2kki s ILE 23 Ca 0.34 0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 59.11 2kki s ILE 23 Cb -0.08 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 2kki s ILE 23 CO 0.27 0.36 0.24 -0.22 -1.23 0.00 0.00 174.94 174.35 2kki s LEU 24 N 0.75 4.03 0.04 2.97 0.20 -1.26 -1.10 118.68 124.32 2kki s LEU 24 Ca 0.14 0.09 0.03 0.00 0.69 0.00 0.00 54.13 55.08 2kki s LEU 24 Cb -0.13 -2.21 -0.02 0.00 -0.43 0.00 0.00 46.19 43.40 2kki s LEU 24 CO 0.04 -0.08 -0.11 0.20 -0.29 0.00 0.00 176.35 176.12 2kki s ASN 25 N 1.66 1.22 0.60 3.68 -0.87 -1.12 -0.93 114.94 119.19 2kki s ASN 25 Ca 0.09 -0.45 -0.00 0.00 -1.57 0.00 0.00 52.86 50.93 2kki s ASN 25 Cb -0.16 -0.04 0.08 0.00 -0.02 0.00 0.00 41.25 41.11 2kki s ASN 25 CO 0.10 -0.06 0.58 -0.90 -2.57 0.00 0.00 177.10 174.26 2kki n ASP 26 N 1.84 0.75 0.29 -1.22 5.75 -1.21 0.11 116.55 122.85 2kki n ASP 26 Ca -0.19 -1.64 0.18 0.00 -0.01 0.00 0.00 54.79 53.13 2kki n ASP 26 Cb 0.55 -0.38 0.81 0.00 -1.03 0.00 0.00 41.12 41.08 2kki n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kki h ALA 27 N -0.59 1.01 0.00 2.12 0.00 -1.85 0.53 119.26 120.48 2kki h ALA 27 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kki h ALA 27 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kki h ALA 27 CO 0.20 0.02 0.00 -0.07 0.00 0.00 0.00 179.25 179.40 2kki h LEU 28 N 0.00 0.00 -2.44 0.00 3.38 -1.92 -3.48 115.31 110.84 2kki h LEU 28 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kki h LEU 28 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2kki h LEU 28 CO 0.00 0.00 -0.23 0.59 0.09 0.00 0.00 178.44 178.89 2kki n ASN 29 N -2.76 -6.82 -3.86 -0.43 4.13 0.18 -4.97 115.26 100.72 2kki n ASN 29 Ca 0.04 0.22 -0.23 0.00 1.68 0.00 0.00 54.58 56.29 2kki n ASN 29 Cb 0.43 -4.57 -0.17 0.00 -1.54 0.00 0.00 39.78 33.92 2kki n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kki s GLN 30 N -2.62 1.01 -0.06 3.52 0.00 -1.26 -3.89 119.66 116.36 2kki s GLN 30 Ca 0.11 -0.09 -0.30 0.00 -0.00 0.00 0.00 55.36 55.08 2kki s GLN 30 Cb -0.03 -1.13 -0.06 0.00 0.00 0.00 0.00 33.01 31.79 2kki s GLN 30 CO 0.62 -0.20 1.69 -1.12 0.00 0.00 0.00 175.29 176.28 2kki s SER 31 N 1.47 6.60 -0.57 12.60 0.01 0.61 -3.36 113.70 131.07 2kki s SER 31 Ca -0.02 2.22 -0.27 0.00 1.31 0.00 0.00 55.95 59.19 2kki s SER 31 Cb -0.13 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2kki s SER 31 CO -0.04 -0.98 1.56 -0.51 0.41 0.00 0.00 173.24 173.68 2kki s ILE 32 N 4.24 3.63 0.20 1.44 2.07 -0.11 -0.74 121.20 131.93 2kki s ILE 32 Ca 0.75 0.50 0.04 0.00 -1.41 0.00 0.00 60.65 60.52 2kki s ILE 32 Cb -0.33 -4.27 -0.03 0.00 0.13 0.00 0.00 42.46 37.95 2kki s ILE 32 CO 0.31 -1.09 0.32 -0.63 -1.91 0.00 0.00 174.94 171.94 2kki s ILE 33 N 6.93 5.29 -0.39 2.00 1.01 -0.19 -3.03 121.20 132.82 2kki s ILE 33 Ca 0.57 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 2kki s ILE 33 Cb -0.12 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.56 2kki s ILE 33 CO 0.24 -0.21 1.28 -0.60 0.00 0.00 0.00 174.94 175.64 2kki s ARG 34 N -3.61 3.75 -0.17 2.79 3.52 -1.26 -1.95 118.95 122.03 2kki s ARG 34 Ca 0.34 0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 56.86 2kki s ARG 34 Cb -0.10 -3.93 -0.23 0.00 -1.56 0.00 0.00 34.95 29.13 2kki s ARG 34 CO 0.29 -1.34 0.16 0.00 -0.81 0.00 0.00 175.30 173.60 2kki n ALA 35 N 8.06 1.15 -2.28 6.12 0.00 -1.19 -4.92 120.51 127.46 2kki n ALA 35 Ca 0.14 -0.82 -0.09 0.00 0.00 0.00 0.00 53.44 52.67 2kki n ALA 35 Cb 0.48 -0.46 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 2kki n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kki s ASN 36 N -6.71 0.26 0.00 0.00 0.01 -0.49 -5.00 114.94 103.01 2kki s ASN 36 Ca -0.25 -1.09 0.24 0.00 -0.71 0.00 0.00 52.86 51.05 2kki s ASN 36 Cb 0.08 0.32 1.37 0.00 0.41 0.00 0.00 41.25 43.42 2kki s ASN 36 CO 0.72 -0.75 1.82 -0.67 -1.51 0.00 0.00 177.10 176.70 2kki n ASP 37 N -0.10 0.00 0.00 -1.22 2.03 -1.26 -2.92 116.55 113.09 2kki n ASP 37 Ca -0.07 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.77 2kki n ASP 37 Cb 0.63 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2kki n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kki n GLN 38 N -1.12 2.29 -4.36 -0.67 6.02 -1.26 -4.87 117.38 113.41 2kki n GLN 38 Ca 0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.91 2kki n GLN 38 Cb 0.13 -0.92 -0.13 0.00 1.02 0.00 0.00 30.24 30.34 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 -1.78 1.73 -0.04 1.08 2.02 -1.15 -3.94 117.35 115.27 2kki s TYR 39 Ca 0.00 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.35 2kki s TYR 39 Cb 0.00 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 2kki s TYR 39 CO 0.00 0.16 -0.23 -1.17 -1.57 0.00 0.00 175.55 172.74 2kki s LEU 40 N -1.71 2.03 -0.04 -1.29 2.96 -1.26 -1.39 118.68 117.98 2kki s LEU 40 Ca 0.06 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2kki s LEU 40 Cb -0.10 -1.26 0.01 0.00 0.50 0.00 0.00 46.19 45.34 2kki s LEU 40 CO 0.03 0.24 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.30 2kki s THR 41 N -0.23 0.99 0.02 3.68 2.01 -0.82 -0.40 115.64 120.89 2kki s THR 41 Ca -0.00 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.40 2kki s THR 41 Cb -0.12 -0.89 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 2kki s THR 41 CO 0.02 0.31 0.46 0.00 -0.69 0.00 0.00 174.62 174.72 2kki s ALA 42 N 0.41 3.66 -0.13 7.40 0.00 -1.25 -1.02 121.76 130.83 2kki s ALA 42 Ca -0.08 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 2kki s ALA 42 Cb -0.12 -2.47 0.04 0.00 0.00 0.00 0.00 23.12 20.57 2kki s ALA 42 CO 0.02 0.45 0.31 0.00 0.00 0.00 0.00 175.76 176.54 2kki s ALA 43 N -1.06 -0.76 -0.12 0.00 0.00 0.08 -4.32 121.76 115.58 2kki s ALA 43 Ca 0.25 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 2kki s ALA 43 Cb -0.18 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.22 2kki s ALA 43 CO 0.15 -0.20 1.91 0.00 0.00 0.00 0.00 175.76 177.62 2kki s ALA 44 N 0.90 3.26 0.61 0.00 0.00 -1.25 -0.29 121.76 124.99 2kki s ALA 44 Ca -0.06 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 52.70 2kki s ALA 44 Cb -0.07 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.12 2kki s ALA 44 CO -0.06 -2.00 0.99 -0.51 0.00 0.00 0.00 175.76 174.17 2kki s LEU 45 N 5.70 3.24 0.00 0.00 2.01 -1.26 -4.84 118.68 123.53 2kki s LEU 45 Ca 0.86 1.24 0.00 0.00 0.01 0.00 0.00 54.13 56.24 2kki s LEU 45 Cb -0.34 -4.22 0.00 0.00 0.01 0.00 0.00 46.19 41.64 2kki s LEU 45 CO 0.35 -0.91 0.00 0.00 1.01 0.00 0.00 176.35 176.80 2kki n HIS 46 N -2.70 0.00 1.08 0.29 -0.00 -1.26 -4.42 115.22 108.21 2kki n HIS 46 Ca 0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.89 2kki n HIS 46 Cb 0.55 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.66 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 -0.50 1.42 0.00 4.39 4.05 -1.26 -4.94 115.26 118.41 2kki n ASN 47 Ca 0.00 -1.13 0.00 0.00 0.45 0.00 0.00 54.58 53.90 2kki n ASN 47 Cb 0.00 0.43 0.00 0.00 1.23 0.00 0.00 39.78 41.44 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 -0.58 0.00 -4.57 1.20 4.77 -1.26 -3.27 117.00 113.29 2kki n LEU 48 Ca 0.09 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.68 2kki n LEU 48 Cb 0.40 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 2kki n LEU 48 CO 0.31 0.00 1.62 -0.62 -1.33 0.00 0.00 177.39 177.36 2kki s ASP 49 N 0.00 6.29 0.00 -1.43 2.15 -1.26 -3.57 116.67 118.85 2kki s ASP 49 Ca 0.00 -1.68 0.00 0.00 0.43 0.00 0.00 52.55 51.30 2kki s ASP 49 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2kki s ASP 49 CO 0.00 -1.71 0.00 1.21 -0.17 0.00 0.00 175.17 174.50 2kki n GLU 50 N 8.68 0.47 -1.79 4.34 4.07 -1.26 -5.08 120.64 130.06 2kki n GLU 50 Ca 0.40 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.19 2kki n GLU 50 Cb 0.49 -0.24 0.04 0.00 -0.06 0.00 0.00 31.44 31.66 2kki n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kki s ALA 51 N -0.84 2.87 0.11 4.31 0.00 -1.23 -4.98 121.76 122.00 2kki s ALA 51 Ca 0.00 -0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.49 2kki s ALA 51 Cb 0.00 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.97 2kki s ALA 51 CO 0.00 -1.04 1.30 0.14 0.00 0.00 0.00 175.76 176.16 2kki s VAL 52 N -3.22 3.56 -0.17 0.00 -7.23 -1.17 -4.94 120.40 107.24 2kki s VAL 52 Ca 0.57 1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 61.74 2kki s VAL 52 Cb -0.12 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 2kki s VAL 52 CO 0.53 0.11 0.37 -0.54 -0.31 0.00 0.00 175.10 175.26 2kki s LYS 53 N 0.85 4.24 0.37 4.82 1.02 -1.26 -4.55 119.74 125.24 2kki s LYS 53 Ca 0.61 0.21 0.07 0.00 0.02 0.00 0.00 55.97 56.88 2kki s LYS 53 Cb -0.34 -3.47 -0.00 0.00 -0.52 0.00 0.00 37.83 33.50 2kki s LYS 53 CO 0.31 0.11 0.51 -0.06 -0.92 0.00 0.00 175.35 175.31 2kki s PHE 54 N 0.83 2.97 -0.02 3.18 0.40 -1.16 0.13 117.98 124.30 2kki s PHE 54 Ca 0.19 -0.31 -0.00 0.00 -0.60 0.00 0.00 56.93 56.22 2kki s PHE 54 Cb -0.14 -2.17 0.03 0.00 0.51 0.00 0.00 43.02 41.25 2kki s PHE 54 CO 0.07 -0.19 0.03 0.34 0.70 0.00 0.00 175.22 176.16 2kki s ASP 55 N -4.25 0.22 -0.09 1.36 2.15 0.12 -1.20 116.67 114.98 2kki s ASP 55 Ca 0.49 0.03 -0.00 0.00 0.43 0.00 0.00 52.55 53.50 2kki s ASP 55 Cb -0.10 -0.10 -0.03 0.00 -0.30 0.00 0.00 42.92 42.39 2kki s ASP 55 CO 0.32 -0.13 -0.07 -0.04 -0.17 0.00 0.00 175.17 175.07 2kki s MET 56 N 1.16 3.01 -0.04 4.34 -1.94 0.10 -2.22 119.30 123.71 2kki s MET 56 Ca -0.08 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 2kki s MET 56 Cb -0.13 -2.65 0.03 0.00 2.01 0.00 0.00 34.83 34.08 2kki s MET 56 CO -0.03 0.52 -0.00 0.20 -0.01 0.00 0.00 175.02 175.70 2kki s GLY 57 N -0.42 0.31 0.18 -0.03 0.00 -1.20 -2.29 107.32 103.87 2kki s GLY 57 Ca 0.06 0.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.65 2kki s GLY 57 CO 0.02 0.73 0.72 0.00 0.00 0.00 0.00 173.10 174.57 2kki s ALA 58 N 1.26 3.46 0.06 3.20 0.00 0.13 -0.71 121.76 129.15 2kki s ALA 58 Ca -0.06 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.16 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 -0.14 0.71 0.00 0.00 0.00 175.76 176.63 2kki s TYR 59 N -1.32 1.23 -0.07 0.00 2.02 0.35 -0.66 117.35 118.89 2kki s TYR 59 Ca 0.38 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.62 2kki s TYR 59 Cb -0.19 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 40.71 2kki s TYR 59 CO 0.23 0.05 0.15 0.21 -1.57 0.00 0.00 175.55 174.62 2kki s LYS 60 N -1.55 0.08 0.05 -0.62 2.20 -1.12 -3.93 119.74 114.84 2kki s LYS 60 Ca -0.01 0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 56.02 2kki s LYS 60 Cb -0.09 -0.20 -0.03 0.00 -1.51 0.00 0.00 37.83 35.99 2kki s LYS 60 CO 0.02 -0.20 -0.02 0.45 -0.36 0.00 0.00 175.35 175.24 2kki s SER 61 N 1.46 0.42 -0.25 1.43 0.15 -1.26 -3.08 113.70 112.57 2kki s SER 61 Ca -0.06 -0.89 -0.03 0.00 0.70 0.00 0.00 55.95 55.66 2kki s SER 61 Cb -0.12 0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 2kki s SER 61 CO -0.06 -0.56 2.78 -1.20 1.20 0.00 0.00 173.24 175.40 2kki n SER 62 N 0.35 6.01 -1.40 5.45 7.64 -1.26 -3.60 113.62 126.82 2kki n SER 62 Ca -0.16 -2.89 -0.05 0.00 1.01 0.00 0.00 58.87 56.78 2kki n SER 62 Cb 0.60 -1.24 0.11 0.00 -1.01 0.00 0.00 64.21 62.67 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 1.29 2.08 0.00 1.43 5.02 -1.26 -5.04 118.16 121.67 2kki n LYS 63 Ca 0.38 -3.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 2kki n LYS 63 Cb 0.65 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 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 -0.73 0.00 0.00 4.39 9.92 -1.24 -5.08 116.55 123.81 2kki n ASP 64 Ca 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 2kki n ASP 64 Cb 0.85 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 2kki n ASP 64 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kki n ASP 65 N 0.00 0.00 -0.32 -2.24 2.03 -1.26 -4.92 116.55 109.84 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 0.06 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 -1.90 2.10 -3.07 -1.67 0.00 -1.26 -5.09 120.51 109.62 2kki n ALA 66 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 53.44 51.66 2kki n ALA 66 Cb 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.18 0.31 0.05 0.00 1.02 -1.26 -5.16 119.74 113.52 2kki s LYS 67 Ca 0.13 -0.01 0.01 0.00 0.02 0.00 0.00 55.97 56.13 2kki s LYS 67 Cb 0.11 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 2kki s LYS 67 CO 0.01 -0.06 0.10 0.96 -0.92 0.00 0.00 175.35 175.45 2kki s ILE 68 N -0.47 4.75 -0.09 2.17 -4.36 -1.26 -4.74 121.20 117.20 2kki s ILE 68 Ca -0.06 -0.59 -0.01 0.00 -0.26 0.00 0.00 60.65 59.74 2kki s ILE 68 Cb -0.04 -3.26 -0.03 0.00 1.25 0.00 0.00 42.46 40.38 2kki s ILE 68 CO 0.01 0.19 -0.05 0.28 0.24 0.00 0.00 174.94 175.61 2kki s THR 69 N -1.35 3.87 0.28 8.37 -1.32 -1.25 -3.57 115.64 120.66 2kki s THR 69 Ca 0.28 -0.41 0.08 0.00 -1.21 0.00 0.00 61.69 60.44 2kki s THR 69 Cb -0.12 -2.61 -0.06 0.00 -1.51 0.00 0.00 72.50 68.20 2kki s THR 69 CO 0.21 0.58 -0.11 0.68 -2.21 0.00 0.00 174.62 173.77 2kki s VAL 70 N -0.60 1.92 -0.15 5.08 -7.23 -0.34 -0.50 120.40 118.58 2kki s VAL 70 Ca 0.09 -2.21 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 2kki s VAL 70 Cb -0.12 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2kki s VAL 70 CO 0.02 -0.36 0.03 0.27 -0.31 0.00 0.00 175.10 174.75 2kki s ILE 71 N -2.84 4.53 -0.31 -0.62 -5.25 0.11 -2.47 121.20 114.35 2kki s ILE 71 Ca 0.29 -0.14 -0.07 0.00 -0.99 0.00 0.00 60.65 59.73 2kki s ILE 71 Cb 0.01 -2.99 0.01 0.00 2.95 0.00 0.00 42.46 42.44 2kki s ILE 71 CO 0.12 0.52 0.10 -0.22 -1.79 0.00 0.00 174.94 173.67 2kki s LEU 72 N -0.08 3.99 0.05 0.37 2.96 -1.26 -3.26 118.68 121.44 2kki s LEU 72 Ca 0.05 -0.75 0.01 0.00 -0.22 0.00 0.00 54.13 53.22 2kki s LEU 72 Cb -0.12 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2kki s LEU 72 CO 0.02 -0.22 -0.05 0.00 -1.32 0.00 0.00 176.35 174.77 2kki s ARG 73 N 1.51 0.55 -0.15 1.98 1.70 -0.94 -3.16 118.95 120.44 2kki s ARG 73 Ca 0.02 -0.93 -0.27 0.00 -0.47 0.00 0.00 55.73 54.08 2kki s ARG 73 Cb -0.18 -0.07 -0.01 0.00 -0.57 0.00 0.00 34.95 34.12 2kki s ARG 73 CO 0.03 -0.02 0.91 -1.50 -1.08 0.00 0.00 175.30 173.64 2kki s ILE 74 N -2.38 4.83 0.59 4.99 1.10 -1.22 0.15 121.20 129.25 2kki s ILE 74 Ca -0.04 1.81 0.29 0.00 -0.51 0.00 0.00 60.65 62.20 2kki s ILE 74 Cb -0.03 -4.21 0.39 0.00 0.15 0.00 0.00 42.46 38.76 2kki s ILE 74 CO -0.03 0.01 1.86 -1.28 -2.11 0.00 0.00 174.94 173.38 2kki h SER 75 N 7.25 0.00 0.00 4.50 0.87 -0.59 -3.23 113.55 122.34 2kki h SER 75 Ca -0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 2kki h SER 75 Cb 1.13 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2kki h SER 75 CO 0.85 0.00 -0.19 0.11 -0.53 0.00 0.00 176.83 177.08 2kki h LYS 76 N 0.00 0.00 -5.93 2.24 1.79 -1.92 -3.47 116.57 109.28 2kki h LYS 76 Ca 0.25 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.16 2kki h LYS 76 Cb 1.34 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.91 2kki h LYS 76 CO -0.00 0.17 -0.48 0.95 -1.08 0.00 0.00 179.45 179.01 2kki s THR 77 N -1.84 2.34 -1.06 -0.16 -4.23 -1.22 -5.05 115.64 104.43 2kki s THR 77 Ca -0.07 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 2kki s THR 77 Cb 0.00 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 71.15 2kki s THR 77 CO 0.17 -0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.63 2kki n GLN 78 N -1.27 4.23 -3.50 3.99 3.00 -1.26 -4.18 117.38 118.39 2kki n GLN 78 Ca -0.01 -4.55 -0.41 0.00 -0.01 0.00 0.00 57.00 52.02 2kki n GLN 78 Cb 0.64 -2.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.28 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 -2.57 4.68 0.16 1.08 1.02 -1.26 -3.19 118.68 118.60 2kki s LEU 79 Ca 0.31 -0.54 0.05 0.00 0.02 0.00 0.00 54.13 53.97 2kki s LEU 79 Cb 0.03 -2.16 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 2kki s LEU 79 CO 0.07 -0.30 0.15 -0.31 0.02 0.00 0.00 176.35 175.98 2kki s TYR 80 N 1.74 3.18 -0.27 0.29 1.51 0.15 -3.43 117.35 120.51 2kki s TYR 80 Ca 0.06 -0.01 -0.23 0.00 -1.01 0.00 0.00 57.07 55.89 2kki s TYR 80 Cb -0.18 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 2kki s TYR 80 CO 0.11 0.52 0.74 0.08 -1.11 0.00 0.00 175.55 175.88 2kki s VAL 81 N -1.75 4.88 -0.03 0.71 1.01 -1.19 -0.14 120.40 123.89 2kki s VAL 81 Ca 0.31 1.29 -0.05 0.00 0.00 0.00 0.00 61.98 63.53 2kki s VAL 81 Cb -0.10 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2kki s VAL 81 CO 0.24 -0.08 0.20 0.28 0.00 0.00 0.00 175.10 175.73 2kki s THR 82 N 2.74 5.41 -0.27 3.92 -1.32 -0.47 -2.96 115.64 122.69 2kki s THR 82 Ca 0.31 0.03 -0.09 0.00 -1.21 0.00 0.00 61.69 60.73 2kki s THR 82 Cb -0.15 -3.52 -0.04 0.00 -1.51 0.00 0.00 72.50 67.28 2kki s THR 82 CO 0.09 0.41 0.14 0.00 -2.21 0.00 0.00 174.62 173.05 2kki s ALA 83 N -1.24 3.35 0.00 11.08 0.00 -1.00 -3.06 121.76 130.89 2kki s ALA 83 Ca 0.24 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2kki s ALA 83 Cb -0.13 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2kki s ALA 83 CO 0.14 -0.55 0.00 0.94 0.00 0.00 0.00 175.76 176.30 2kki n GLN 84 N 5.00 0.00 -3.55 0.00 7.27 -1.26 -4.93 117.38 119.90 2kki n GLN 84 Ca -0.15 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.67 2kki n GLN 84 Cb 0.52 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.01 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 2.47 0.69 1.69 2.15 -1.26 -4.85 116.67 116.56 2kki s ASP 85 Ca 0.00 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 52.23 2kki s ASP 85 Cb 0.00 -0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.52 2kki s ASP 85 CO 0.00 -0.38 0.00 1.21 -0.17 0.00 0.00 175.17 175.83 2kki n GLU 86 N 5.28 0.00 -1.79 4.34 2.13 -1.00 -3.45 120.64 126.15 2kki n GLU 86 Ca -0.06 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.44 2kki n GLU 86 Cb 0.47 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.12 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 1.23 2.87 -3.66 4.31 2.03 -0.93 -3.03 116.55 119.38 2kki n ASP 87 Ca 0.00 -2.69 -0.07 0.00 0.52 0.00 0.00 54.79 52.56 2kki n ASP 87 Cb 0.00 -1.56 -0.08 0.00 -0.72 0.00 0.00 41.12 38.76 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 6.13 0.43 0.59 -0.67 2.00 -1.22 -4.91 119.66 122.01 2kki s GLN 88 Ca 0.66 1.14 -0.20 0.00 -2.00 0.00 0.00 55.36 54.96 2kki s GLN 88 Cb 0.04 0.43 -0.03 0.00 0.80 0.00 0.00 33.01 34.24 2kki s GLN 88 CO 0.14 -0.22 1.32 -1.25 -0.50 0.00 0.00 175.29 174.78 2kki s PRO 89 N 2.47 2.88 0.17 1.67 0.04 -1.26 -3.60 135.00 137.36 2kki s PRO 89 Ca -0.04 2.14 -0.32 0.00 0.04 0.00 0.00 61.00 62.82 2kki s PRO 89 Cb -0.11 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 2kki s PRO 89 CO -0.15 -1.37 1.67 0.14 0.04 0.00 0.00 177.00 177.33 2kki s VAL 90 N -1.35 2.42 -0.01 -0.36 -7.23 -0.72 -4.73 120.40 108.42 2kki s VAL 90 Ca 0.77 0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 61.13 2kki s VAL 90 Cb -0.39 -3.15 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 2kki s VAL 90 CO 0.44 0.01 0.21 -0.76 -0.31 0.00 0.00 175.10 174.69 2kki s LEU 91 N 1.49 4.37 -0.56 1.32 1.43 -1.17 -4.66 118.68 120.90 2kki s LEU 91 Ca 0.74 0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 54.06 2kki s LEU 91 Cb -0.46 -2.62 0.07 0.00 0.03 0.00 0.00 46.19 43.22 2kki s LEU 91 CO 0.32 0.26 0.73 -1.48 0.23 0.00 0.00 176.35 176.41 2kki s LEU 92 N -1.86 4.96 -0.28 1.79 0.05 -1.25 -1.37 118.68 120.72 2kki s LEU 92 Ca 0.27 -1.06 -0.19 0.00 0.05 0.00 0.00 54.13 53.20 2kki s LEU 92 Cb -0.13 -2.42 -0.02 0.00 -2.05 0.00 0.00 46.19 41.57 2kki s LEU 92 CO 0.17 -1.07 0.59 -0.75 -0.55 0.00 0.00 176.35 174.74 2kki s LYS 93 N 2.95 3.98 -0.73 1.48 2.47 0.80 -4.82 119.74 125.87 2kki s LYS 93 Ca 0.16 0.33 -0.18 0.00 -1.56 0.00 0.00 55.97 54.72 2kki s LYS 93 Cb -0.20 -3.69 0.13 0.00 -1.46 0.00 0.00 37.83 32.61 2kki s LYS 93 CO 0.10 -0.47 0.85 -2.00 0.16 0.00 0.00 175.35 173.98 2kki s GLU 94 N 2.48 3.31 -0.21 4.03 2.12 -1.26 0.29 118.70 129.46 2kki s GLU 94 Ca 0.24 -1.65 -0.03 0.00 0.36 0.00 0.00 54.97 53.89 2kki s GLU 94 Cb -0.15 -4.47 -0.00 0.00 0.26 0.00 0.00 34.13 29.76 2kki s GLU 94 CO 0.10 -1.57 -0.07 1.41 -0.54 0.00 0.00 175.26 174.59 2kki s MET 95 N 2.25 3.31 -0.10 4.30 1.75 -1.19 -4.96 119.30 124.67 2kki s MET 95 Ca 0.19 -0.66 -0.30 0.00 -1.25 0.00 0.00 55.69 53.67 2kki s MET 95 Cb -0.16 -2.92 -0.02 0.00 2.84 0.00 0.00 34.83 34.58 2kki s MET 95 CO -0.01 -0.18 1.05 -1.25 -0.65 0.00 0.00 175.02 173.98 2kki s PRO 96 N 1.39 4.40 0.38 4.11 0.04 -1.26 -4.72 135.00 139.35 2kki s PRO 96 Ca 0.05 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2kki s PRO 96 Cb -0.14 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2kki s PRO 96 CO -0.05 -0.35 0.00 0.39 0.04 0.00 0.00 177.00 177.03 2kki n GLU 97 N 5.08 -4.24 -2.46 4.56 -0.58 -1.26 -4.90 120.64 116.84 2kki n GLU 97 Ca 0.09 3.10 -0.42 0.00 -0.42 0.00 0.00 57.16 59.51 2kki n GLU 97 Cb 0.48 -3.45 -0.03 0.00 -0.57 0.00 0.00 31.44 27.87 2kki n GLU 97 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2kki s ILE 98 N -2.46 4.21 0.33 -3.67 -4.36 -1.26 -5.02 121.20 108.97 2kki s ILE 98 Ca 0.00 1.56 -0.08 0.00 -0.26 0.00 0.00 60.65 61.87 2kki s ILE 98 Cb 0.00 -4.00 -0.06 0.00 1.25 0.00 0.00 42.46 39.65 2kki s ILE 98 CO 0.00 0.05 0.64 -2.16 0.24 0.00 0.00 174.94 173.71 2kki s PRO 99 N 1.74 3.71 0.03 0.37 0.04 -1.26 -4.97 135.00 134.66 2kki s PRO 99 Ca 0.57 0.23 0.23 0.00 0.04 0.00 0.00 61.00 62.06 2kki s PRO 99 Cb -0.26 -2.54 0.03 0.00 0.04 0.00 0.00 34.50 31.77 2kki s PRO 99 CO 0.25 0.12 1.02 1.63 0.04 0.00 0.00 177.00 180.06 2kki n LYS 100 N -1.00 0.20 -3.83 4.56 5.02 -1.26 -4.67 118.16 117.17 2kki n LYS 100 Ca 0.00 -0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.99 2kki n LYS 100 Cb 0.54 -1.55 -0.16 0.00 -0.02 0.00 0.00 35.03 33.83 2kki n LYS 100 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2kki s THR 101 N -3.14 1.00 -0.31 -0.18 2.01 -1.25 -0.85 115.64 112.91 2kki s THR 101 Ca 0.05 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.09 2kki s THR 101 Cb 0.15 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 2kki s THR 101 CO 0.81 -0.15 0.15 -0.63 -0.69 0.00 0.00 174.62 174.11 2kki s ILE 102 N 1.64 4.59 -0.06 1.82 1.01 0.69 -4.67 121.20 126.21 2kki s ILE 102 Ca -0.03 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.21 2kki s ILE 102 Cb -0.18 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 38.95 2kki s ILE 102 CO -0.07 0.06 -0.15 0.28 0.00 0.00 0.00 174.94 175.06 2kki s THR 103 N 1.61 1.30 0.00 2.92 -1.32 -1.20 -4.18 115.64 114.77 2kki s THR 103 Ca 0.04 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2kki s THR 103 Cb -0.17 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 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 3.58 0.00 0.30 6.08 0.00 -1.26 -3.20 105.19 110.69 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 1.76 0.00 0.00 0.00 173.32 175.08 2kki h SER 105 N 0.00 0.00 0.00 1.61 0.02 -2.02 -2.33 113.55 110.83 2kki h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kki h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kki h SER 105 CO 0.00 0.00 0.00 1.21 -1.14 0.00 0.00 176.83 176.90 2kki n GLU 106 N -3.04 0.98 0.00 3.45 4.07 -1.20 -3.70 120.64 121.21 2kki n GLU 106 Ca -0.01 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.16 2kki n GLU 106 Cb 0.17 -1.26 0.35 0.00 -0.06 0.00 0.00 31.44 30.63 2kki n GLU 106 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2kki n THR 107 N -0.76 0.84 -0.02 6.31 5.66 -0.88 -1.61 114.28 123.81 2kki n THR 107 Ca 0.12 0.21 -0.07 0.00 -3.05 0.00 0.00 64.05 61.26 2kki n THR 107 Cb 0.06 -0.94 0.11 0.00 -1.55 0.00 0.00 70.33 68.01 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 0.62 -0.62 1.09 -0.26 -1.85 -3.27 115.58 111.29 2kki h ASN 108 Ca 0.00 -0.26 -0.39 0.00 -0.56 0.00 0.00 56.30 55.09 2kki h ASN 108 Cb 0.24 -0.17 -0.18 0.00 -1.06 0.00 0.00 38.32 37.15 2kki h ASN 108 CO 0.00 0.92 0.51 -0.11 -1.06 0.00 0.00 177.43 177.69 2kki n LEU 109 N -4.06 6.44 -4.87 1.61 7.94 -0.63 -2.38 117.00 121.05 2kki n LEU 109 Ca -0.01 -3.38 -0.37 0.00 -1.11 0.00 0.00 56.01 51.15 2kki n LEU 109 Cb 0.49 -0.96 -0.06 0.00 0.53 0.00 0.00 43.42 43.42 2kki n LEU 109 CO 0.45 1.18 -0.18 -1.48 -1.11 0.00 0.00 177.39 176.25 2kki s LEU 110 N -2.28 4.35 -0.06 -1.96 0.05 -1.23 -4.34 118.68 113.21 2kki s LEU 110 Ca 0.39 0.44 -0.02 0.00 0.05 0.00 0.00 54.13 54.99 2kki s LEU 110 Cb 0.31 -2.10 0.04 0.00 -2.05 0.00 0.00 46.19 42.38 2kki s LEU 110 CO 0.01 0.40 0.11 -0.36 -0.55 0.00 0.00 176.35 175.95 2kki s PHE 111 N -1.05 -0.07 -0.48 3.48 0.40 -1.03 -4.13 117.98 115.10 2kki s PHE 111 Ca 0.16 0.40 -0.26 0.00 -0.60 0.00 0.00 56.93 56.64 2kki s PHE 111 Cb -0.12 -0.29 0.03 0.00 0.51 0.00 0.00 43.02 43.15 2kki s PHE 111 CO 0.05 -0.20 0.96 0.12 0.70 0.00 0.00 175.22 176.85 2kki s PHE 112 N 1.85 2.89 -0.57 0.36 5.36 0.33 -1.20 117.98 127.00 2kki s PHE 112 Ca -0.01 0.38 -0.22 0.00 -0.96 0.00 0.00 56.93 56.13 2kki s PHE 112 Cb -0.12 -4.04 0.06 0.00 -0.34 0.00 0.00 43.02 38.57 2kki s PHE 112 CO -0.04 -1.16 0.82 -0.46 -1.46 0.00 0.00 175.22 172.92 2kki s TRP 113 N 3.88 2.87 -0.43 10.12 -0.00 -1.25 -1.48 118.94 132.66 2kki s TRP 113 Ca 0.38 -0.41 -0.10 0.00 -0.00 0.00 0.00 56.10 55.97 2kki s TRP 113 Cb -0.10 -3.95 0.08 0.00 -0.00 0.00 0.00 33.47 29.50 2kki s TRP 113 CO 0.26 -1.31 0.28 -2.00 -0.00 0.00 0.00 176.95 174.18 2kki s GLU 114 N 3.42 2.66 -0.22 5.86 -6.30 -0.39 -4.95 118.70 118.77 2kki s GLU 114 Ca 0.21 -1.44 -0.11 0.00 -2.50 0.00 0.00 54.97 51.13 2kki s GLU 114 Cb -0.17 -3.83 -0.05 0.00 0.00 0.00 0.00 34.13 30.08 2kki s GLU 114 CO 0.13 -0.97 0.18 0.99 0.02 0.00 0.00 175.26 175.62 2kki s THR 115 N 1.46 5.36 -0.35 -1.70 2.01 -1.26 -0.03 115.64 121.12 2kki s THR 115 Ca 0.03 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2kki s THR 115 Cb -0.23 -3.52 0.11 0.00 0.01 0.00 0.00 72.50 68.87 2kki s THR 115 CO 0.03 0.37 0.14 -2.28 -0.69 0.00 0.00 174.62 172.19 2kki s HIS 116 N 0.82 1.87 0.00 4.92 2.46 -0.11 -4.99 115.29 120.27 2kki s HIS 116 Ca 0.09 -2.02 0.00 0.00 0.47 0.00 0.00 55.06 53.60 2kki s HIS 116 Cb -0.13 -1.81 0.00 0.00 -0.13 0.00 0.00 32.58 30.51 2kki s HIS 116 CO 0.03 -0.85 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 2kki n GLY 117 N 4.37 1.50 0.10 1.59 0.00 -1.26 -2.84 105.19 108.66 2kki n GLY 117 Ca 0.02 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 1.18 -1.68 2.61 -1.04 -1.26 -4.98 114.28 109.11 2kki n THR 118 Ca 0.00 -0.47 -0.31 0.00 -2.04 0.00 0.00 64.05 61.23 2kki n THR 118 Cb 0.00 -1.19 0.04 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 -2.41 3.14 -0.06 -2.82 3.01 -1.13 -3.95 119.74 115.52 2kki s LYS 119 Ca -0.27 0.91 -0.26 0.00 -1.01 0.00 0.00 55.97 55.34 2kki s LYS 119 Cb 0.07 -2.02 0.06 0.00 -1.01 0.00 0.00 37.83 34.93 2kki s LYS 119 CO 0.49 -0.93 0.59 1.21 0.51 0.00 0.00 175.35 177.21 2kki s ASN 120 N -3.85 -0.55 0.26 2.83 2.47 0.14 -0.93 114.94 115.31 2kki s ASN 120 Ca 0.57 0.63 0.09 0.00 0.42 0.00 0.00 52.86 54.57 2kki s ASN 120 Cb -0.13 0.57 -0.04 0.00 -1.45 0.00 0.00 41.25 40.20 2kki s ASN 120 CO 0.54 -0.53 0.07 -0.31 -3.72 0.00 0.00 177.10 173.15 2kki s TYR 121 N -1.05 2.85 -0.31 0.43 1.51 0.96 -0.76 117.35 120.97 2kki s TYR 121 Ca -0.10 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2kki s TYR 121 Cb -0.02 -1.28 0.10 0.00 -0.11 0.00 0.00 41.96 40.66 2kki s TYR 121 CO 0.08 0.58 0.08 -0.06 -1.11 0.00 0.00 175.55 175.12 2kki s PHE 122 N -2.26 2.24 0.04 2.71 0.08 -1.25 -1.26 117.98 118.28 2kki s PHE 122 Ca 0.32 -2.04 -0.20 0.00 0.12 0.00 0.00 56.93 55.13 2kki s PHE 122 Cb -0.07 -2.01 -0.06 0.00 -0.57 0.00 0.00 43.02 40.31 2kki s PHE 122 CO 0.22 -0.89 0.58 0.99 -0.10 0.00 0.00 175.22 176.02 2kki s THR 123 N 1.43 4.80 0.00 0.64 2.01 -0.55 -1.01 115.64 122.98 2kki s THR 123 Ca 0.09 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 63.03 2kki s THR 123 Cb -0.18 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 2kki s THR 123 CO -0.20 0.50 1.37 -0.44 -0.69 0.00 0.00 174.62 175.15 2kki s SER 124 N -0.72 6.88 0.47 3.53 0.01 -0.48 0.12 113.70 123.52 2kki s SER 124 Ca 0.30 2.09 0.27 0.00 1.31 0.00 0.00 55.95 59.92 2kki s SER 124 Cb -0.19 -2.56 0.97 0.00 0.21 0.00 0.00 66.02 64.45 2kki s SER 124 CO 0.18 -0.69 1.84 0.58 0.41 0.00 0.00 173.24 175.57 2kki h VAL 125 N 4.86 0.31 -0.02 3.43 2.07 -1.89 -2.17 116.25 122.83 2kki h VAL 125 Ca -0.38 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 2kki h VAL 125 Cb 1.18 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2kki h VAL 125 CO 0.89 0.13 -0.09 0.00 0.02 0.00 0.00 177.57 178.52 2kki h ALA 126 N 1.87 0.04 -2.30 1.67 0.00 -1.88 -3.37 119.26 115.29 2kki h ALA 126 Ca -0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 2kki h ALA 126 Cb 0.72 -0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.20 2kki h ALA 126 CO 0.02 -0.07 -0.49 -1.01 0.00 0.00 0.00 179.25 177.70 2kki s HIS 127 N -3.60 -0.66 0.34 0.00 3.76 -0.96 -5.00 115.29 109.17 2kki s HIS 127 Ca -0.16 0.91 0.21 0.00 -0.15 0.00 0.00 55.06 55.87 2kki s HIS 127 Cb 0.01 0.01 1.23 0.00 1.11 0.00 0.00 32.58 34.94 2kki s HIS 127 CO 0.71 -0.59 1.39 -2.30 -0.85 0.00 0.00 174.74 173.10 2kki n PRO 128 N 5.36 -0.05 0.00 8.40 -0.02 -0.86 -1.12 135.00 146.71 2kki n PRO 128 Ca -0.05 1.19 0.05 0.00 -2.02 0.00 0.00 63.50 62.66 2kki n PRO 128 Cb 0.50 -2.19 0.22 0.00 -0.02 0.00 0.00 33.50 32.01 2kki n PRO 128 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kki n ASN 129 N -4.87 0.00 -4.75 2.55 4.13 -1.26 -3.83 115.26 107.23 2kki n ASN 129 Ca 0.34 0.32 -0.36 0.00 1.68 0.00 0.00 54.58 56.56 2kki n ASN 129 Cb 1.20 -0.39 -0.07 0.00 -1.54 0.00 0.00 39.78 38.98 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 -2.78 4.27 -0.14 3.41 1.02 -0.28 -1.43 118.68 122.75 2kki s LEU 130 Ca 0.07 0.48 -0.12 0.00 0.02 0.00 0.00 54.13 54.58 2kki s LEU 130 Cb 0.06 -2.30 0.04 0.00 0.02 0.00 0.00 46.19 44.01 2kki s LEU 130 CO 0.16 0.16 0.37 0.12 0.02 0.00 0.00 176.35 177.18 2kki s PHE 131 N 0.20 -0.43 -0.64 0.29 2.19 0.21 -1.38 117.98 118.42 2kki s PHE 131 Ca 0.15 1.03 -0.23 0.00 0.33 0.00 0.00 56.93 58.21 2kki s PHE 131 Cb -0.13 0.15 0.07 0.00 -1.31 0.00 0.00 43.02 41.80 2kki s PHE 131 CO 0.03 -0.22 0.95 0.42 1.83 0.00 0.00 175.22 178.24 2kki s ILE 132 N 0.38 4.34 0.24 3.12 -1.09 -0.18 -2.59 121.20 125.43 2kki s ILE 132 Ca -0.02 -0.29 -0.03 0.00 -2.23 0.00 0.00 60.65 58.09 2kki s ILE 132 Cb -0.04 -4.66 -0.05 0.00 -1.58 0.00 0.00 42.46 36.14 2kki s ILE 132 CO -0.01 -1.40 0.47 0.00 -1.23 0.00 0.00 174.94 172.76 2kki s ALA 133 N 4.02 3.73 -0.05 9.38 0.00 -0.76 -4.34 121.76 133.75 2kki s ALA 133 Ca 0.23 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.51 2kki s ALA 133 Cb -0.16 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.83 2kki s ALA 133 CO 0.11 0.34 -0.13 0.95 0.00 0.00 0.00 175.76 177.04 2kki s THR 134 N -1.97 1.14 0.02 0.00 -4.23 0.30 -3.84 115.64 107.06 2kki s THR 134 Ca 0.41 -0.51 0.04 0.00 -1.18 0.00 0.00 61.69 60.45 2kki s THR 134 Cb -0.11 -1.02 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 2kki s THR 134 CO 0.29 0.35 -0.08 -0.54 -0.54 0.00 0.00 174.62 174.10 2kki s LYS 135 N 0.46 2.46 0.13 3.99 3.01 -1.26 -3.35 119.74 125.17 2kki s LYS 135 Ca -0.10 -0.79 0.11 0.00 -1.01 0.00 0.00 55.97 54.17 2kki s LYS 135 Cb -0.14 -2.45 -0.14 0.00 -1.01 0.00 0.00 37.83 34.09 2kki s LYS 135 CO 0.03 0.58 1.19 0.37 0.51 0.00 0.00 175.35 178.03 2kki h GLN 136 N 4.35 0.00 0.00 1.68 4.15 -1.94 -3.34 115.11 120.01 2kki h GLN 136 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 2kki h GLN 136 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2kki h GLN 136 CO 0.53 0.74 -0.57 -3.47 -1.93 0.00 0.00 178.83 174.13 2kki n ASP 137 N -3.23 2.81 -4.77 -0.69 2.03 -1.26 -4.58 116.55 106.86 2kki n ASP 137 Ca -0.03 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.06 2kki n ASP 137 Cb 0.90 0.27 0.10 0.00 -0.72 0.00 0.00 41.12 41.67 2kki n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kki n TYR 138 N -1.39 -2.67 -1.56 -0.67 9.36 -1.26 -4.95 117.16 114.02 2kki n TYR 138 Ca 0.00 -1.95 -0.31 0.00 3.32 0.00 0.00 57.90 58.96 2kki n TYR 138 Cb 0.28 -0.68 0.06 0.00 -0.63 0.00 0.00 39.34 38.38 2kki n TYR 138 CO 0.00 0.00 0.00 1.67 0.22 0.00 0.00 176.86 178.75 2kki s TRP 139 N -2.98 2.87 -0.48 2.98 -2.14 -1.26 -4.17 118.94 113.76 2kki s TRP 139 Ca 0.66 1.49 -0.28 0.00 2.66 0.00 0.00 56.10 60.63 2kki s TRP 139 Cb -0.04 -2.98 -0.01 0.00 -3.10 0.00 0.00 33.47 27.33 2kki s TRP 139 CO 0.43 -1.44 1.75 0.08 -2.66 0.00 0.00 176.95 175.11 2kki s VAL 140 N -2.84 3.50 0.00 -0.66 1.01 0.46 -4.51 120.40 117.36 2kki s VAL 140 Ca 0.61 0.43 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2kki s VAL 140 Cb -0.16 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2kki s VAL 140 CO 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 175.10 174.89 2kki s LEU 142 N 0.00 2.42 0.21 0.00 2.96 -1.24 -1.82 118.68 121.21 2kki s LEU 142 Ca 0.00 -0.96 -0.23 0.00 -0.22 0.00 0.00 54.13 52.72 2kki s LEU 142 Cb 0.00 0.24 0.05 0.00 0.50 0.00 0.00 46.19 46.98 2kki s LEU 142 CO 0.00 -0.60 0.72 0.00 -1.32 0.00 0.00 176.35 175.15 2kki s ALA 143 N -3.83 -1.44 -0.29 5.97 0.00 -1.07 -2.19 121.76 118.92 2kki s ALA 143 Ca 0.06 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.15 2kki s ALA 143 Cb 0.07 0.81 0.42 0.00 0.00 0.00 0.00 23.12 24.43 2kki s ALA 143 CO -0.10 -0.92 1.58 0.41 0.00 0.00 0.00 175.76 176.73 2kki n GLY 144 N -0.42 3.58 0.00 0.00 0.00 -0.52 -0.62 105.19 107.22 2kki n GLY 144 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.54 1.04 3.34 -0.02 0.00 -1.26 -4.54 105.19 103.20 2kki n GLY 145 Ca 0.38 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.47 3.33 0.00 1.61 0.04 -1.26 -4.70 135.00 133.56 2kki s PRO 146 Ca 0.00 -0.71 0.10 0.00 0.04 0.00 0.00 61.00 60.43 2kki s PRO 146 Cb 0.00 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2kki s PRO 146 CO 0.00 0.18 0.63 -0.35 0.04 0.00 0.00 177.00 177.50 2kki n PRO 147 N 3.62 2.01 -2.86 0.56 -0.04 -1.26 -5.01 135.00 132.02 2kki n PRO 147 Ca -0.18 -0.62 -0.36 0.00 -0.04 0.00 0.00 63.50 62.30 2kki n PRO 147 Cb 0.53 -1.08 -0.06 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.29 7.20 -0.84 3.54 0.01 -1.26 -5.00 113.70 116.05 2kki s SER 148 Ca 0.08 1.71 -0.24 0.00 1.31 0.00 0.00 55.95 58.81 2kki s SER 148 Cb 0.08 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.82 2kki s SER 148 CO 0.24 -0.10 1.29 -0.63 0.41 0.00 0.00 173.24 174.44 2kki s ILE 149 N -1.70 3.95 -0.35 1.44 -1.09 -1.21 -4.82 121.20 117.42 2kki s ILE 149 Ca 0.51 -0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.66 2kki s ILE 149 Cb -0.16 -4.93 0.26 0.00 -1.58 0.00 0.00 42.46 36.05 2kki s ILE 149 CO 0.21 -1.81 1.95 0.35 -1.23 0.00 0.00 174.94 174.42 2kki n THR 150 N 6.43 2.80 -3.66 2.92 -2.24 -1.26 0.11 114.28 119.38 2kki n THR 150 Ca 0.14 -1.72 -0.32 0.00 -2.27 0.00 0.00 64.05 59.89 2kki n THR 150 Cb 0.49 -1.24 -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 -0.10 6.50 0.18 3.42 1.01 -1.26 -3.96 116.67 122.47 2kki s ASP 151 Ca 0.35 0.61 -0.01 0.00 0.71 0.00 0.00 52.55 54.22 2kki s ASP 151 Cb 0.27 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 2kki s ASP 151 CO 0.00 0.05 0.10 0.72 0.21 0.00 0.00 175.17 176.25 2kki s PHE 152 N -1.65 1.10 -0.19 4.23 -0.71 0.06 -3.76 117.98 117.06 2kki s PHE 152 Ca 0.41 -1.29 -0.28 0.00 -1.04 0.00 0.00 56.93 54.73 2kki s PHE 152 Cb -0.12 -0.57 0.08 0.00 -1.21 0.00 0.00 43.02 41.20 2kki s PHE 152 CO 0.24 -0.55 0.79 1.14 -1.34 0.00 0.00 175.22 175.50 2kki s GLN 153 N -4.10 0.83 -0.38 1.99 -2.07 0.29 0.23 119.66 116.46 2kki s GLN 153 Ca 0.33 0.59 -0.19 0.00 -1.82 0.00 0.00 55.36 54.28 2kki s GLN 153 Cb 0.07 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.40 2kki s GLN 153 CO 0.08 -0.18 0.55 0.42 -1.32 0.00 0.00 175.29 174.85 2kki s ILE 154 N -0.34 4.96 -0.21 3.63 1.01 -1.25 -2.78 121.20 126.22 2kki s ILE 154 Ca -0.03 0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 2kki s ILE 154 Cb -0.03 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 2kki s ILE 154 CO 0.03 -0.35 -0.02 -0.76 0.00 0.00 0.00 174.94 173.84 2kki s LEU 155 N 2.51 3.04 0.41 2.97 1.43 -0.26 -4.91 118.68 123.87 2kki s LEU 155 Ca 0.20 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.89 2kki s LEU 155 Cb -0.15 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 2kki s LEU 155 CO 0.15 0.01 0.75 -0.70 0.23 0.00 0.00 176.35 176.79 2kki s GLU 156 N 1.33 3.72 0.44 1.70 2.12 -1.26 -1.07 118.70 125.67 2kki s GLU 156 Ca 0.04 0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.63 2kki s GLU 156 Cb -0.14 -2.41 -0.06 0.00 0.26 0.00 0.00 34.13 31.77 2kki s GLU 156 CO -0.01 -0.05 0.83 1.21 -0.54 0.00 0.00 175.26 176.70 2kki s ASN 157 N -3.35 6.51 -0.08 -1.70 2.47 -1.26 -4.85 114.94 112.68 2kki s ASN 157 Ca 0.50 1.22 -0.25 0.00 0.42 0.00 0.00 52.86 54.75 2kki s ASN 157 Cb -0.10 -2.36 -0.21 0.00 -1.45 0.00 0.00 41.25 37.12 2kki s ASN 157 CO 0.34 -0.47 0.94 -0.61 -3.72 0.00 0.00 177.10 173.58 2kki h GLN 158 N 1.05 -0.04 0.00 0.43 -0.00 -1.91 -3.50 115.11 111.15 2kki h GLN 158 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 2kki h GLN 158 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.68 2kki h GLN 158 CO 0.63 0.64 0.00 0.00 0.00 0.00 0.00 178.83 180.10