#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 5.06 -0.06 2.41 1.01 -1.26 -4.56 120.40 123.00 2kki s VAL 10 Ca 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 2kki s VAL 10 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2kki s VAL 10 CO 0.00 0.16 0.11 -0.54 0.00 0.00 0.00 175.10 174.83 2kki s LYS 11 N 1.64 3.28 -0.28 2.72 1.02 -1.11 -5.02 119.74 121.99 2kki s LYS 11 Ca 0.28 -0.30 -0.07 0.00 0.02 0.00 0.00 55.97 55.90 2kki s LYS 11 Cb -0.16 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2kki s LYS 11 CO 0.11 0.71 0.07 0.71 -0.92 0.00 0.00 175.35 176.03 2kki s TYR 12 N -1.11 3.12 -0.53 3.18 2.02 -1.26 0.29 117.35 123.06 2kki s TYR 12 Ca 0.19 -0.88 -0.06 0.00 -0.37 0.00 0.00 57.07 55.96 2kki s TYR 12 Cb -0.12 -2.24 0.14 0.00 -0.40 0.00 0.00 41.96 39.34 2kki s TYR 12 CO 0.09 -0.54 0.37 0.54 -1.57 0.00 0.00 175.55 174.45 2kki s ASN 13 N 1.52 5.52 -0.24 2.29 4.22 0.11 -4.39 114.94 123.96 2kki s ASN 13 Ca 0.04 -2.31 -0.17 0.00 -2.14 0.00 0.00 52.86 48.27 2kki s ASN 13 Cb -0.16 -1.93 -0.03 0.00 1.28 0.00 0.00 41.25 40.41 2kki s ASN 13 CO 0.02 -0.54 0.45 0.72 -2.04 0.00 0.00 177.10 175.72 2kki s PHE 14 N 0.74 3.29 0.00 1.54 -0.71 -0.70 -3.94 117.98 118.21 2kki s PHE 14 Ca 0.11 0.59 0.00 0.00 -1.04 0.00 0.00 56.93 56.59 2kki s PHE 14 Cb -0.22 -2.64 0.00 0.00 -1.21 0.00 0.00 43.02 38.95 2kki s PHE 14 CO -0.03 -0.19 0.00 -0.12 -1.34 0.00 0.00 175.22 173.54 2kki n MET 15 N 5.18 0.00 -3.59 1.99 1.56 -1.11 -3.38 117.12 117.76 2kki n MET 15 Ca -0.06 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.28 2kki n MET 15 Cb 0.50 -0.15 -0.05 0.00 2.15 0.00 0.00 33.22 35.67 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 -0.83 0.50 -0.35 2.12 1.04 -1.19 -4.98 118.95 115.26 2kki s ARG 16 Ca 0.00 0.17 -0.29 0.00 -1.04 0.00 0.00 55.73 54.57 2kki s ARG 16 Cb 0.00 0.24 0.02 0.00 -2.04 0.00 0.00 34.95 33.17 2kki s ARG 16 CO 0.00 -0.15 1.08 0.96 -0.04 0.00 0.00 175.30 177.16 2kki s ILE 17 N -0.95 4.45 0.00 4.99 -4.36 -1.26 -1.15 121.20 122.92 2kki s ILE 17 Ca 0.00 1.62 0.00 0.00 -0.26 0.00 0.00 60.65 62.02 2kki s ILE 17 Cb -0.01 -4.45 0.00 0.00 1.25 0.00 0.00 42.46 39.25 2kki s ILE 17 CO -0.01 -0.59 0.00 -0.38 0.24 0.00 0.00 174.94 174.21 2kki n ILE 18 N 6.06 0.00 -4.07 8.37 5.41 -1.11 -4.95 119.36 129.07 2kki n ILE 18 Ca 0.12 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.65 2kki n ILE 18 Cb 0.47 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.35 2kki n ILE 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2kki s LYS 19 N 1.94 2.61 0.09 0.38 1.02 -1.12 -4.92 119.74 119.75 2kki s LYS 19 Ca 0.00 -1.31 -0.13 0.00 0.02 0.00 0.00 55.97 54.55 2kki s LYS 19 Cb 0.00 -2.37 0.02 0.00 -0.52 0.00 0.00 37.83 34.96 2kki s LYS 19 CO 0.00 0.24 0.30 1.52 -0.92 0.00 0.00 175.35 176.49 2kki s TYR 20 N -2.29 -0.05 -1.42 3.18 1.13 -1.26 -0.43 117.35 116.22 2kki s TYR 20 Ca 0.36 -0.26 -0.09 0.00 -1.41 0.00 0.00 57.07 55.66 2kki s TYR 20 Cb -0.06 0.10 0.02 0.00 -1.10 0.00 0.00 41.96 40.93 2kki s TYR 20 CO 0.24 -0.60 1.08 -1.91 -2.51 0.00 0.00 175.55 171.85 2kki n GLU 21 N 0.03 -7.12 -4.05 -3.49 2.13 -0.67 -4.96 120.64 102.50 2kki n GLU 21 Ca -0.16 0.79 -0.22 0.00 0.66 0.00 0.00 57.16 58.23 2kki n GLU 21 Cb 0.62 -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 3.05 -0.15 4.31 0.08 -1.21 -4.94 117.98 115.82 2kki s PHE 22 Ca 0.57 -0.16 -0.14 0.00 0.12 0.00 0.00 56.93 57.33 2kki s PHE 22 Cb -0.26 -1.48 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 2kki s PHE 22 CO 0.70 0.45 0.29 0.42 -0.10 0.00 0.00 175.22 176.98 2kki s ILE 23 N -2.18 5.30 -0.26 0.64 -1.09 0.20 -2.84 121.20 120.97 2kki s ILE 23 Ca 0.35 0.54 -0.12 0.00 -2.23 0.00 0.00 60.65 59.19 2kki s ILE 23 Cb -0.07 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 2kki s ILE 23 CO 0.25 0.40 0.22 -0.22 -1.23 0.00 0.00 174.94 174.37 2kki s LEU 24 N 0.37 4.06 0.04 2.97 2.96 -1.26 -1.36 118.68 126.45 2kki s LEU 24 Ca 0.16 0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 2kki s LEU 24 Cb -0.13 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 2kki s LEU 24 CO 0.04 -0.04 -0.12 0.20 -1.32 0.00 0.00 176.35 175.10 2kki s ASN 25 N 1.52 1.46 0.72 3.68 0.01 -1.19 -1.16 114.94 119.98 2kki s ASN 25 Ca 0.09 -0.46 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 2kki s ASN 25 Cb -0.15 -0.07 0.13 0.00 0.41 0.00 0.00 41.25 41.56 2kki s ASN 25 CO 0.09 -0.01 0.87 -0.90 -1.51 0.00 0.00 177.10 175.64 2kki n ASP 26 N 1.84 1.00 0.18 -1.22 5.68 -1.21 0.19 116.55 123.01 2kki n ASP 26 Ca -0.19 -1.89 0.14 0.00 -0.50 0.00 0.00 54.79 52.36 2kki n ASP 26 Cb 0.55 -0.58 0.57 0.00 -1.14 0.00 0.00 41.12 40.52 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 -0.74 1.00 0.00 2.12 0.00 -1.86 0.39 119.26 120.18 2kki h ALA 27 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kki h ALA 27 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kki h ALA 27 CO 0.29 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.47 2kki h LEU 28 N 0.00 0.00 -2.61 0.00 3.38 -1.90 -3.48 115.31 110.70 2kki h LEU 28 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2kki h LEU 28 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kki h LEU 28 CO 0.00 0.00 -0.40 0.59 0.09 0.00 0.00 178.44 178.72 2kki n ASN 29 N -2.46 -7.31 -3.86 -0.43 3.02 0.14 -4.99 115.26 99.37 2kki n ASN 29 Ca 0.04 0.02 -0.28 0.00 -0.03 0.00 0.00 54.58 54.33 2kki n ASN 29 Cb 0.40 -4.59 -0.17 0.00 -0.61 0.00 0.00 39.78 34.81 2kki n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2kki s GLN 30 N -3.06 1.26 -0.05 3.52 1.11 -1.26 -3.92 119.66 117.26 2kki s GLN 30 Ca 0.12 -0.45 -0.30 0.00 0.01 0.00 0.00 55.36 54.73 2kki s GLN 30 Cb -0.03 -1.93 -0.06 0.00 -1.01 0.00 0.00 33.01 29.98 2kki s GLN 30 CO 0.79 -0.45 1.67 -1.12 0.01 0.00 0.00 175.29 176.19 2kki s SER 31 N 1.69 6.65 -0.54 5.90 0.01 0.99 -3.32 113.70 125.09 2kki s SER 31 Ca 0.01 2.25 -0.28 0.00 1.31 0.00 0.00 55.95 59.25 2kki s SER 31 Cb -0.15 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.54 2kki s SER 31 CO -0.07 -0.93 1.61 -0.51 0.41 0.00 0.00 173.24 173.75 2kki s ILE 32 N 4.07 3.60 0.18 1.44 1.10 -0.31 -0.60 121.20 130.69 2kki s ILE 32 Ca 0.74 0.49 0.03 0.00 -0.51 0.00 0.00 60.65 61.40 2kki s ILE 32 Cb -0.34 -4.16 -0.03 0.00 0.15 0.00 0.00 42.46 38.08 2kki s ILE 32 CO 0.30 -0.97 0.32 0.27 -2.11 0.00 0.00 174.94 172.75 2kki s ILE 33 N 7.11 5.29 -0.39 2.00 -4.36 -0.21 -2.65 121.20 128.00 2kki s ILE 33 Ca 0.61 -0.74 -0.29 0.00 -0.26 0.00 0.00 60.65 59.97 2kki s ILE 33 Cb -0.13 -3.78 0.02 0.00 1.25 0.00 0.00 42.46 39.81 2kki s ILE 33 CO 0.25 -0.18 1.22 -0.60 0.24 0.00 0.00 174.94 175.87 2kki s ARG 34 N -3.49 3.82 -0.11 0.37 3.52 -1.26 -2.49 118.95 119.31 2kki s ARG 34 Ca 0.35 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.86 2kki s ARG 34 Cb -0.10 -3.89 -0.25 0.00 -1.56 0.00 0.00 34.95 29.15 2kki s ARG 34 CO 0.29 -1.25 0.39 0.00 -0.81 0.00 0.00 175.30 173.92 2kki n ALA 35 N 7.76 1.11 -2.33 6.12 0.00 -1.23 -4.95 120.51 127.00 2kki n ALA 35 Ca 0.13 -0.70 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 2kki n ALA 35 Cb 0.48 -0.67 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 2kki n ALA 35 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kki s ASN 36 N -6.69 0.33 0.00 0.00 3.84 -0.34 -5.01 114.94 107.08 2kki s ASN 36 Ca -0.18 -0.82 0.22 0.00 0.21 0.00 0.00 52.86 52.29 2kki s ASN 36 Cb 0.07 0.24 1.19 0.00 -0.55 0.00 0.00 41.25 42.20 2kki s ASN 36 CO 0.77 -0.62 1.72 0.47 -2.79 0.00 0.00 177.10 176.66 2kki n ASP 37 N 0.19 0.00 0.00 -4.21 8.00 -1.26 -3.02 116.55 116.24 2kki n ASP 37 Ca -0.15 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.12 2kki n ASP 37 Cb 0.61 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2kki n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kki n GLN 38 N -1.20 1.81 -4.95 -1.24 1.13 -1.26 -4.78 117.38 106.89 2kki n GLN 38 Ca 0.12 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.90 2kki n GLN 38 Cb 0.15 -0.93 -0.17 0.00 0.11 0.00 0.00 30.24 29.40 2kki n GLN 38 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2kki s TYR 39 N -1.77 2.02 -0.07 1.08 2.02 -1.17 -3.57 117.35 115.89 2kki s TYR 39 Ca 0.00 -0.74 0.05 0.00 -0.37 0.00 0.00 57.07 56.01 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 -0.30 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.29 2kki s LEU 40 N 0.32 2.01 -0.05 -1.29 2.96 -1.26 -1.19 118.68 120.17 2kki s LEU 40 Ca -0.13 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.36 2kki s LEU 40 Cb -0.15 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 2kki s LEU 40 CO 0.05 0.18 -0.23 0.42 -1.32 0.00 0.00 176.35 175.45 2kki s THR 41 N 0.12 2.21 0.03 3.68 -4.23 -1.04 -1.51 115.64 114.91 2kki s THR 41 Ca -0.10 -1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 59.21 2kki s THR 41 Cb -0.15 -1.81 -0.06 0.00 1.34 0.00 0.00 72.50 71.82 2kki s THR 41 CO 0.05 0.57 0.52 0.00 -0.54 0.00 0.00 174.62 175.22 2kki s ALA 42 N -0.27 3.60 -0.13 3.99 0.00 -1.25 -1.04 121.76 126.66 2kki s ALA 42 Ca -0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 2kki s ALA 42 Cb -0.13 -2.57 0.04 0.00 0.00 0.00 0.00 23.12 20.46 2kki s ALA 42 CO 0.03 0.37 0.31 0.00 0.00 0.00 0.00 175.76 176.47 2kki s ALA 43 N -0.88 -0.75 0.01 0.00 0.00 0.23 -4.48 121.76 115.88 2kki s ALA 43 Ca 0.27 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 2kki s ALA 43 Cb -0.18 -0.67 -0.08 0.00 0.00 0.00 0.00 23.12 22.19 2kki s ALA 43 CO 0.16 -0.20 1.84 0.00 0.00 0.00 0.00 175.76 177.56 2kki s ALA 44 N 0.94 3.60 0.57 0.00 0.00 -1.25 -0.01 121.76 125.61 2kki s ALA 44 Ca -0.06 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 2kki s ALA 44 Cb -0.07 -3.80 -0.06 0.00 0.00 0.00 0.00 23.12 19.19 2kki s ALA 44 CO -0.07 -1.48 1.01 -0.51 0.00 0.00 0.00 175.76 174.71 2kki s LEU 45 N 4.20 3.42 0.00 0.00 2.01 -1.26 -4.81 118.68 122.25 2kki s LEU 45 Ca 0.82 1.51 0.00 0.00 0.01 0.00 0.00 54.13 56.47 2kki s LEU 45 Cb -0.39 -4.49 0.00 0.00 0.01 0.00 0.00 46.19 41.32 2kki s LEU 45 CO 0.37 -0.75 0.00 1.57 1.01 0.00 0.00 176.35 178.54 2kki n HIS 46 N -2.18 0.00 1.46 0.29 -0.00 -1.26 -4.60 115.22 108.93 2kki n HIS 46 Ca 0.06 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.93 2kki n HIS 46 Cb 0.54 0.00 0.60 0.00 -0.00 0.00 0.00 29.99 31.13 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 -0.21 0.65 0.00 0.26 5.15 -1.26 -4.92 115.26 114.94 2kki n ASN 47 Ca 0.00 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.18 2kki n ASN 47 Cb 0.00 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 2kki n ASN 47 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2kki n LEU 48 N -0.75 0.00 -4.51 1.20 4.77 -1.26 -2.08 117.00 114.37 2kki n LEU 48 Ca 0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 2kki n LEU 48 Cb 0.28 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2kki n LEU 48 CO 0.22 0.00 1.39 -0.62 -1.33 0.00 0.00 177.39 177.05 2kki s ASP 49 N 0.00 6.71 0.00 -1.43 2.15 -1.26 -4.07 116.67 118.77 2kki s ASP 49 Ca 0.00 -2.12 0.00 0.00 0.43 0.00 0.00 52.55 50.86 2kki s ASP 49 Cb 0.00 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2kki s ASP 49 CO 0.00 -1.16 0.00 1.21 -0.17 0.00 0.00 175.17 175.05 2kki n GLU 50 N 7.41 1.07 -1.77 4.34 2.13 -1.26 -4.98 120.64 127.58 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 0.48 -0.33 0.04 0.00 0.27 0.00 0.00 31.44 31.90 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 -0.73 2.86 0.09 4.31 0.00 -1.26 -4.94 121.76 122.09 2kki s ALA 51 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 2kki s ALA 51 Cb 0.00 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 2kki s ALA 51 CO 0.00 -1.04 1.31 0.14 0.00 0.00 0.00 175.76 176.17 2kki s VAL 52 N -3.19 3.60 -0.14 0.00 -7.23 -1.08 -4.91 120.40 107.45 2kki s VAL 52 Ca 0.57 1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 61.74 2kki s VAL 52 Cb -0.12 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.04 2kki s VAL 52 CO 0.54 0.09 0.36 -0.54 -0.31 0.00 0.00 175.10 175.24 2kki s LYS 53 N 1.08 4.26 0.34 4.82 1.02 -1.26 -4.44 119.74 125.56 2kki s LYS 53 Ca 0.62 0.23 0.07 0.00 0.02 0.00 0.00 55.97 56.91 2kki s LYS 53 Cb -0.34 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.54 2kki s LYS 53 CO 0.30 0.24 0.44 -0.06 -0.92 0.00 0.00 175.35 175.35 2kki s PHE 54 N 0.43 3.05 -0.03 3.18 0.40 -1.13 0.63 117.98 124.51 2kki s PHE 54 Ca 0.20 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2kki s PHE 54 Cb -0.14 -1.99 0.02 0.00 0.51 0.00 0.00 43.02 41.43 2kki s PHE 54 CO 0.07 -0.00 -0.02 -0.51 0.70 0.00 0.00 175.22 175.46 2kki s ASP 55 N -4.15 0.56 -0.13 1.36 1.01 0.18 -1.66 116.67 113.84 2kki s ASP 55 Ca 0.45 -0.06 -0.03 0.00 0.71 0.00 0.00 52.55 53.61 2kki s ASP 55 Cb -0.09 -0.27 -0.03 0.00 1.01 0.00 0.00 42.92 43.54 2kki s ASP 55 CO 0.30 -0.07 -0.01 -0.04 0.21 0.00 0.00 175.17 175.56 2kki s MET 56 N 0.88 3.46 -0.02 8.23 -1.94 0.43 -2.30 119.30 128.04 2kki s MET 56 Ca -0.10 -0.46 -0.00 0.00 -1.71 0.00 0.00 55.69 53.42 2kki s MET 56 Cb -0.13 -2.91 0.03 0.00 2.01 0.00 0.00 34.83 33.84 2kki s MET 56 CO -0.01 0.41 0.03 0.20 -0.01 0.00 0.00 175.02 175.64 2kki s GLY 57 N -0.08 0.13 0.30 -0.03 0.00 -1.01 -2.75 107.32 103.88 2kki s GLY 57 Ca 0.03 0.28 -0.19 0.00 0.00 0.00 0.00 44.72 44.84 2kki s GLY 57 CO 0.02 0.77 0.80 0.00 0.00 0.00 0.00 173.10 174.70 2kki s ALA 58 N 1.20 3.29 0.13 3.20 0.00 -0.30 0.80 121.76 130.09 2kki s ALA 58 Ca -0.07 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.19 2kki s ALA 58 Cb -0.13 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2kki s ALA 58 CO -0.03 0.27 -0.18 1.52 0.00 0.00 0.00 175.76 177.34 2kki s TYR 59 N -1.79 1.67 -0.04 0.00 -0.85 0.72 -2.75 117.35 114.30 2kki s TYR 59 Ca 0.51 -0.47 -0.02 0.00 -0.52 0.00 0.00 57.07 56.57 2kki s TYR 59 Cb -0.14 -0.88 0.03 0.00 0.38 0.00 0.00 41.96 41.36 2kki s TYR 59 CO 0.19 0.22 0.05 0.21 -1.52 0.00 0.00 175.55 174.70 2kki s LYS 60 N -2.36 0.06 0.04 -3.49 2.36 -1.22 -4.15 119.74 110.99 2kki s LYS 60 Ca 0.09 0.31 -0.03 0.00 -2.55 0.00 0.00 55.97 53.79 2kki s LYS 60 Cb -0.07 -0.58 -0.02 0.00 -1.05 0.00 0.00 37.83 36.10 2kki s LYS 60 CO 0.05 -0.31 0.02 -1.12 1.55 0.00 0.00 175.35 175.54 2kki s SER 61 N 2.03 0.31 -0.31 1.43 0.01 -1.26 -3.59 113.70 112.31 2kki s SER 61 Ca 0.04 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.56 2kki s SER 61 Cb -0.12 0.19 0.06 0.00 0.21 0.00 0.00 66.02 66.36 2kki s SER 61 CO -0.03 -0.50 2.59 -0.24 0.41 0.00 0.00 173.24 175.46 2kki n SER 62 N 0.68 6.21 -1.27 2.44 2.88 -1.26 -3.66 113.62 119.63 2kki n SER 62 Ca -0.18 -2.99 -0.02 0.00 -1.33 0.00 0.00 58.87 54.34 2kki n SER 62 Cb 0.59 -1.19 0.12 0.00 -0.75 0.00 0.00 64.21 62.97 2kki n SER 62 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kki n LYS 63 N 0.98 1.88 0.00 -1.46 4.76 -1.26 -5.01 118.16 118.05 2kki n LYS 63 Ca 0.38 -3.35 0.00 0.00 -2.87 0.00 0.00 58.31 52.47 2kki n LYS 63 Cb 0.61 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 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 -1.24 -4.98 116.55 121.99 2kki n ASP 64 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2kki n ASP 64 Cb 0.84 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 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 -0.37 -2.24 2.03 -1.25 -4.86 116.55 109.85 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 -1.56 2.17 -3.00 -1.67 0.00 -1.26 -5.08 120.51 110.10 2kki n ALA 66 Ca 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 53.44 51.56 2kki n ALA 66 Cb 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.25 0.30 -0.00 0.00 -0.14 -1.26 -5.15 119.74 112.24 2kki s LYS 67 Ca 0.15 -0.38 -0.02 0.00 -1.36 0.00 0.00 55.97 54.36 2kki s LYS 67 Cb 0.14 0.12 -0.04 0.00 -1.68 0.00 0.00 37.83 36.37 2kki s LYS 67 CO 0.00 -0.06 0.17 0.96 -0.76 0.00 0.00 175.35 175.66 2kki s ILE 68 N -1.07 5.30 -0.10 2.17 -4.36 -1.26 -4.77 121.20 117.10 2kki s ILE 68 Ca -0.12 -0.23 -0.00 0.00 -0.26 0.00 0.00 60.65 60.04 2kki s ILE 68 Cb -0.07 -3.48 -0.03 0.00 1.25 0.00 0.00 42.46 40.14 2kki s ILE 68 CO -0.00 0.31 -0.08 0.42 0.24 0.00 0.00 174.94 175.83 2kki s THR 69 N -1.32 3.58 0.15 8.37 -4.23 -1.26 -3.93 115.64 117.00 2kki s THR 69 Ca 0.27 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.33 2kki s THR 69 Cb -0.13 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 2kki s THR 69 CO 0.19 0.55 -0.11 0.54 -0.54 0.00 0.00 174.62 175.25 2kki s VAL 70 N -0.24 1.28 -0.19 2.29 0.11 -1.06 -0.20 120.40 122.39 2kki s VAL 70 Ca 0.03 -2.01 -0.05 0.00 -2.93 0.00 0.00 61.98 57.02 2kki s VAL 70 Cb -0.13 -1.80 -0.03 0.00 -1.53 0.00 0.00 36.38 32.89 2kki s VAL 70 CO 0.03 -0.66 0.01 -0.63 -3.33 0.00 0.00 175.10 170.52 2kki s ILE 71 N -3.02 4.20 -0.28 7.04 1.01 0.24 -2.90 121.20 127.48 2kki s ILE 71 Ca 0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.50 2kki s ILE 71 Cb 0.00 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 2kki s ILE 71 CO 0.02 0.45 0.08 -0.22 0.00 0.00 0.00 174.94 175.26 2kki s LEU 72 N 0.68 3.72 0.05 2.97 2.96 -1.26 -2.40 118.68 125.40 2kki s LEU 72 Ca 0.00 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2kki s LEU 72 Cb -0.14 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2kki s LEU 72 CO 0.02 -0.15 -0.07 0.00 -1.32 0.00 0.00 176.35 174.84 2kki s ARG 73 N 1.53 0.58 -0.10 1.98 1.70 -0.97 -2.97 118.95 120.70 2kki s ARG 73 Ca 0.04 -0.91 -0.23 0.00 -0.47 0.00 0.00 55.73 54.16 2kki s ARG 73 Cb -0.17 -0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.00 2kki s ARG 73 CO 0.03 0.01 0.70 0.96 -1.08 0.00 0.00 175.30 175.92 2kki s ILE 74 N -2.09 5.03 0.60 4.99 -4.36 -1.22 0.51 121.20 124.65 2kki s ILE 74 Ca -0.04 1.42 0.29 0.00 -0.26 0.00 0.00 60.65 62.05 2kki s ILE 74 Cb -0.05 -4.03 0.38 0.00 1.25 0.00 0.00 42.46 40.00 2kki s ILE 74 CO -0.02 0.21 1.79 0.28 0.24 0.00 0.00 174.94 177.45 2kki h SER 75 N 6.91 0.00 0.00 4.36 0.02 -0.10 -3.30 113.55 121.44 2kki h SER 75 Ca -0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 2kki h SER 75 Cb 1.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2kki h SER 75 CO 0.77 0.00 -0.49 0.11 -1.14 0.00 0.00 176.83 176.07 2kki h LYS 76 N 0.00 0.00 -5.95 3.45 1.57 -1.93 -3.47 116.57 110.24 2kki h LYS 76 Ca 0.25 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.48 2kki h LYS 76 Cb 1.46 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.69 2kki h LYS 76 CO -0.00 0.19 -0.50 0.99 -0.57 0.00 0.00 179.45 179.56 2kki s THR 77 N -2.12 2.45 -1.04 -0.16 2.01 -1.24 -5.05 115.64 110.48 2kki s THR 77 Ca -0.14 -1.69 -0.04 0.00 0.31 0.00 0.00 61.69 60.14 2kki s THR 77 Cb 0.02 -2.98 0.30 0.00 0.01 0.00 0.00 72.50 69.85 2kki s THR 77 CO 0.25 -0.04 1.37 0.00 -0.69 0.00 0.00 174.62 175.52 2kki n GLN 78 N -1.23 4.19 -3.47 4.92 1.13 -1.26 -4.26 117.38 117.40 2kki n GLN 78 Ca -0.01 -4.56 -0.41 0.00 -1.94 0.00 0.00 57.00 50.08 2kki n GLN 78 Cb 0.64 -2.49 -0.10 0.00 0.11 0.00 0.00 30.24 28.40 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 -2.59 4.72 0.18 1.08 2.01 -1.26 -3.45 118.68 119.37 2kki s LEU 79 Ca 0.32 -0.56 0.06 0.00 0.01 0.00 0.00 54.13 53.95 2kki s LEU 79 Cb 0.04 -2.20 -0.04 0.00 0.01 0.00 0.00 46.19 44.00 2kki s LEU 79 CO 0.07 -0.35 0.14 -0.31 1.01 0.00 0.00 176.35 176.91 2kki s TYR 80 N 1.80 3.12 -0.27 0.29 1.51 0.13 -3.45 117.35 120.49 2kki s TYR 80 Ca 0.07 -0.04 -0.28 0.00 -1.01 0.00 0.00 57.07 55.81 2kki s TYR 80 Cb -0.18 -1.48 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2kki s TYR 80 CO 0.11 0.52 1.00 0.08 -1.11 0.00 0.00 175.55 176.15 2kki s VAL 81 N -1.82 4.65 -0.04 0.71 1.01 -1.16 -0.29 120.40 123.47 2kki s VAL 81 Ca 0.31 1.78 -0.04 0.00 0.00 0.00 0.00 61.98 64.03 2kki s VAL 81 Cb -0.10 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2kki s VAL 81 CO 0.23 -0.28 0.16 0.28 0.00 0.00 0.00 175.10 175.49 2kki s THR 82 N 3.29 5.37 -0.26 3.92 -1.32 -0.62 -1.97 115.64 124.04 2kki s THR 82 Ca 0.42 -0.09 -0.12 0.00 -1.21 0.00 0.00 61.69 60.70 2kki s THR 82 Cb -0.14 -3.45 -0.05 0.00 -1.51 0.00 0.00 72.50 67.35 2kki s THR 82 CO 0.10 0.41 0.22 0.00 -2.21 0.00 0.00 174.62 173.14 2kki s ALA 83 N -1.22 3.56 0.00 11.08 0.00 -1.05 -3.21 121.76 130.91 2kki s ALA 83 Ca 0.23 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2kki s ALA 83 Cb -0.12 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2kki s ALA 83 CO 0.14 -0.46 0.00 1.04 0.00 0.00 0.00 175.76 176.48 2kki n GLN 84 N 4.86 0.00 -3.47 0.00 1.13 -1.26 -4.96 117.38 113.67 2kki n GLN 84 Ca -0.13 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.73 2kki n GLN 84 Cb 0.52 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.75 2kki n GLN 84 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2kki s ASP 85 N -1.00 1.81 0.67 1.08 2.15 -1.26 -4.84 116.67 115.28 2kki s ASP 85 Ca 0.00 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.42 2kki s ASP 85 Cb 0.00 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 2kki s ASP 85 CO 0.00 -0.36 0.00 1.21 -0.17 0.00 0.00 175.17 175.85 2kki n GLU 86 N 5.31 0.00 -1.84 4.34 2.13 -1.07 -3.50 120.64 126.01 2kki n GLU 86 Ca -0.04 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.44 2kki n GLU 86 Cb 0.47 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 1.13 3.09 -3.66 4.31 2.03 -0.78 -3.18 116.55 119.49 2kki n ASP 87 Ca 0.00 -2.71 -0.07 0.00 0.52 0.00 0.00 54.79 52.52 2kki n ASP 87 Cb 0.00 -1.56 -0.08 0.00 -0.72 0.00 0.00 41.12 38.75 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 5.80 0.41 0.65 -0.67 -1.52 -1.23 -4.90 119.66 118.19 2kki s GLN 88 Ca 0.64 1.09 -0.18 0.00 -1.95 0.00 0.00 55.36 54.96 2kki s GLN 88 Cb 0.04 0.37 -0.01 0.00 -0.22 0.00 0.00 33.01 33.19 2kki s GLN 88 CO 0.12 -0.22 1.29 -2.14 -0.25 0.00 0.00 175.29 174.10 2kki s PRO 89 N 2.42 2.56 0.17 2.91 0.02 -1.26 -3.58 135.00 138.24 2kki s PRO 89 Ca -0.04 2.06 -0.32 0.00 0.02 0.00 0.00 61.00 62.72 2kki s PRO 89 Cb -0.11 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 2kki s PRO 89 CO -0.14 -1.59 1.70 0.54 -0.33 0.00 0.00 177.00 177.17 2kki s VAL 90 N -1.40 2.31 0.01 3.83 0.11 -0.98 -4.70 120.40 119.58 2kki s VAL 90 Ca 0.83 0.15 -0.04 0.00 -2.93 0.00 0.00 61.98 59.99 2kki s VAL 90 Cb -0.37 -3.10 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 2kki s VAL 90 CO 0.40 0.01 0.21 -0.76 -3.33 0.00 0.00 175.10 171.63 2kki s LEU 91 N 1.53 4.37 -0.57 2.54 1.43 -1.20 -4.82 118.68 121.95 2kki s LEU 91 Ca 0.75 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 54.05 2kki s LEU 91 Cb -0.47 -2.68 0.08 0.00 0.03 0.00 0.00 46.19 43.15 2kki s LEU 91 CO 0.33 0.24 0.73 -0.76 0.23 0.00 0.00 176.35 177.12 2kki s LEU 92 N -1.96 5.03 -0.28 1.79 1.43 -1.23 -1.59 118.68 121.86 2kki s LEU 92 Ca 0.28 -1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.05 2kki s LEU 92 Cb -0.13 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 2kki s LEU 92 CO 0.19 -1.10 0.59 -0.75 0.23 0.00 0.00 176.35 175.51 2kki s LYS 93 N 2.94 3.98 -0.74 1.70 2.36 0.61 -4.80 119.74 125.78 2kki s LYS 93 Ca 0.15 0.33 -0.18 0.00 -2.55 0.00 0.00 55.97 53.72 2kki s LYS 93 Cb -0.21 -3.69 0.13 0.00 -1.05 0.00 0.00 37.83 33.01 2kki s LYS 93 CO 0.09 -0.47 0.85 -2.00 1.55 0.00 0.00 175.35 175.37 2kki s GLU 94 N 2.48 3.32 -0.25 4.03 2.12 -1.26 0.21 118.70 129.35 2kki s GLU 94 Ca 0.24 -1.67 -0.03 0.00 0.36 0.00 0.00 54.97 53.87 2kki s GLU 94 Cb -0.15 -4.48 0.02 0.00 0.26 0.00 0.00 34.13 29.77 2kki s GLU 94 CO 0.10 -1.57 -0.04 1.41 -0.54 0.00 0.00 175.26 174.63 2kki s MET 95 N 2.21 2.94 -0.06 4.30 1.75 -1.22 -4.96 119.30 124.26 2kki s MET 95 Ca 0.19 -0.92 -0.30 0.00 -1.25 0.00 0.00 55.69 53.42 2kki s MET 95 Cb -0.15 -3.05 -0.04 0.00 2.84 0.00 0.00 34.83 34.43 2kki s MET 95 CO -0.01 -0.38 1.33 -1.25 -0.65 0.00 0.00 175.02 174.06 2kki s PRO 96 N 1.37 4.28 0.51 4.11 0.04 -1.26 -4.76 135.00 139.29 2kki s PRO 96 Ca 0.01 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2kki s PRO 96 Cb -0.16 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2kki s PRO 96 CO -0.03 -0.59 0.00 0.39 0.04 0.00 0.00 177.00 176.81 2kki n GLU 97 N 5.75 -4.00 -2.15 4.56 -0.58 -1.26 -4.85 120.64 118.12 2kki n GLU 97 Ca 0.13 3.04 -0.42 0.00 -0.42 0.00 0.00 57.16 59.49 2kki n GLU 97 Cb 0.45 -3.59 -0.03 0.00 -0.57 0.00 0.00 31.44 27.70 2kki n GLU 97 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2kki s ILE 98 N -4.28 3.59 0.42 -3.67 2.07 -1.26 -4.98 121.20 113.08 2kki s ILE 98 Ca 0.00 0.94 -0.23 0.00 -1.41 0.00 0.00 60.65 59.95 2kki s ILE 98 Cb 0.00 -3.61 -0.09 0.00 0.13 0.00 0.00 42.46 38.89 2kki s ILE 98 CO 0.00 -0.02 1.03 -2.84 -1.91 0.00 0.00 174.94 171.21 2kki s PRO 99 N 2.74 4.11 -0.00 3.50 0.02 -1.26 -4.94 135.00 139.17 2kki s PRO 99 Ca 0.67 1.44 0.22 0.00 0.02 0.00 0.00 61.00 63.35 2kki s PRO 99 Cb -0.33 -2.44 -0.23 0.00 0.02 0.00 0.00 34.50 31.53 2kki s PRO 99 CO 0.27 -0.17 0.75 0.36 -0.33 0.00 0.00 177.00 177.89 2kki n LYS 100 N -0.26 0.31 -3.71 5.54 2.85 -1.25 -4.73 118.16 116.91 2kki n LYS 100 Ca 0.06 -0.08 -0.26 0.00 -1.05 0.00 0.00 58.31 56.98 2kki n LYS 100 Cb 0.51 -1.52 -0.17 0.00 -0.65 0.00 0.00 35.03 33.19 2kki n LYS 100 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2kki s THR 101 N -3.24 0.30 -0.24 0.58 -1.32 -1.25 0.08 115.64 110.54 2kki s THR 101 Ca 0.01 -0.26 -0.09 0.00 -1.21 0.00 0.00 61.69 60.14 2kki s THR 101 Cb 0.15 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.33 2kki s THR 101 CO 0.87 -0.11 0.12 -0.51 -2.21 0.00 0.00 174.62 172.78 2kki s ILE 102 N 1.97 4.88 -0.10 5.08 2.07 0.15 -4.44 121.20 130.81 2kki s ILE 102 Ca 0.01 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.29 2kki s ILE 102 Cb -0.16 -3.28 0.01 0.00 0.13 0.00 0.00 42.46 39.17 2kki s ILE 102 CO -0.07 0.34 -0.15 0.28 -1.91 0.00 0.00 174.94 173.43 2kki s THR 103 N 1.32 1.42 0.00 4.00 -1.32 -1.24 -2.76 115.64 117.06 2kki s THR 103 Ca 0.06 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2kki s THR 103 Cb -0.15 -1.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 2kki s THR 103 CO 0.05 0.42 0.00 0.61 -2.21 0.00 0.00 174.62 173.50 2kki n GLY 104 N 4.12 0.00 0.29 6.08 0.00 -1.26 -3.33 105.19 111.09 2kki n GLY 104 Ca -0.20 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.99 -2.47 113.55 111.57 2kki h SER 105 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kki h SER 105 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kki h SER 105 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 2kki n GLU 106 N -3.02 0.90 0.00 2.24 4.71 -1.21 -3.71 120.64 120.54 2kki n GLU 106 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.22 2kki n GLU 106 Cb 0.19 -1.25 0.35 0.00 -1.01 0.00 0.00 31.44 29.72 2kki n GLU 106 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2kki n THR 107 N -0.75 0.86 0.14 2.62 5.66 -0.93 -1.67 114.28 120.20 2kki n THR 107 Ca 0.11 0.21 -0.01 0.00 -3.05 0.00 0.00 64.05 61.31 2kki n THR 107 Cb 0.05 -0.94 0.23 0.00 -1.55 0.00 0.00 70.33 68.11 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 0.07 -0.53 1.09 4.21 -1.83 -3.25 115.58 115.34 2kki h ASN 108 Ca 0.00 -0.03 -0.33 0.00 1.21 0.00 0.00 56.30 57.15 2kki h ASN 108 Cb 0.25 -0.02 -0.16 0.00 -1.12 0.00 0.00 38.32 37.27 2kki h ASN 108 CO 0.00 0.57 0.42 -0.11 -1.29 0.00 0.00 177.43 177.02 2kki n LEU 109 N -3.93 6.04 -4.85 1.61 7.94 -0.67 -2.53 117.00 120.61 2kki n LEU 109 Ca -0.02 -3.13 -0.37 0.00 -1.11 0.00 0.00 56.01 51.39 2kki n LEU 109 Cb 0.53 -0.92 -0.07 0.00 0.53 0.00 0.00 43.42 43.49 2kki n LEU 109 CO 0.41 1.09 -0.19 -1.48 -1.11 0.00 0.00 177.39 176.12 2kki s LEU 110 N -1.92 4.27 -0.08 -1.96 0.05 -1.23 -4.43 118.68 113.39 2kki s LEU 110 Ca 0.33 0.42 -0.04 0.00 0.05 0.00 0.00 54.13 54.89 2kki s LEU 110 Cb 0.26 -2.03 0.04 0.00 -2.05 0.00 0.00 46.19 42.41 2kki s LEU 110 CO 0.02 0.40 0.18 0.72 -0.55 0.00 0.00 176.35 177.11 2kki s PHE 111 N -0.98 -0.22 -0.47 3.48 -0.12 -1.14 -4.06 117.98 114.48 2kki s PHE 111 Ca 0.15 0.59 -0.27 0.00 -0.05 0.00 0.00 56.93 57.35 2kki s PHE 111 Cb -0.12 -0.07 0.03 0.00 -0.63 0.00 0.00 43.02 42.23 2kki s PHE 111 CO 0.04 -0.20 1.02 0.12 -0.05 0.00 0.00 175.22 176.14 2kki s PHE 112 N 1.35 2.88 -0.54 3.49 5.36 0.34 -2.56 117.98 128.30 2kki s PHE 112 Ca -0.08 0.54 -0.19 0.00 -0.96 0.00 0.00 56.93 56.23 2kki s PHE 112 Cb -0.11 -4.17 0.07 0.00 -0.34 0.00 0.00 43.02 38.47 2kki s PHE 112 CO -0.07 -1.17 0.68 -0.46 -1.46 0.00 0.00 175.22 172.74 2kki s TRP 113 N 4.06 3.00 -0.41 10.12 -0.00 -1.25 -2.27 118.94 132.19 2kki s TRP 113 Ca 0.42 -0.65 -0.08 0.00 -0.00 0.00 0.00 56.10 55.79 2kki s TRP 113 Cb -0.09 -3.74 0.08 0.00 -0.00 0.00 0.00 33.47 29.72 2kki s TRP 113 CO 0.29 -1.16 0.24 -2.00 -0.00 0.00 0.00 176.95 174.32 2kki s GLU 114 N 2.77 2.51 -0.22 5.86 2.56 -1.20 -5.01 118.70 125.97 2kki s GLU 114 Ca 0.15 -1.52 -0.11 0.00 0.00 0.00 0.00 54.97 53.50 2kki s GLU 114 Cb -0.20 -3.73 -0.05 0.00 2.00 0.00 0.00 34.13 32.15 2kki s GLU 114 CO 0.10 -0.97 0.17 -0.08 -0.56 0.00 0.00 175.26 173.92 2kki s THR 115 N 1.37 5.37 -0.34 -1.70 -1.32 -1.26 -3.07 115.64 114.69 2kki s THR 115 Ca 0.03 0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 2kki s THR 115 Cb -0.23 -3.51 0.10 0.00 -1.51 0.00 0.00 72.50 67.36 2kki s THR 115 CO 0.01 0.38 0.10 -1.00 -2.21 0.00 0.00 174.62 171.90 2kki s HIS 116 N 0.73 2.53 0.00 9.09 3.76 -0.00 -5.00 115.29 126.40 2kki s HIS 116 Ca 0.09 -2.32 0.00 0.00 -0.15 0.00 0.00 55.06 52.68 2kki s HIS 116 Cb -0.12 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.35 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 4.44 1.61 0.15 -2.22 0.00 -1.26 -2.95 105.19 104.96 2kki n GLY 117 Ca 0.01 0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 2kki n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kki n THR 118 N 0.00 1.15 -1.96 2.61 -2.24 -1.26 -5.02 114.28 107.56 2kki n THR 118 Ca 0.00 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.06 2kki n THR 118 Cb 0.00 -1.33 0.01 0.00 -2.10 0.00 0.00 70.33 66.91 2kki n THR 118 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2kki s LYS 119 N -2.40 3.59 -0.08 -0.78 -2.85 -1.15 -4.02 119.74 112.04 2kki s LYS 119 Ca -0.28 0.68 -0.27 0.00 -1.00 0.00 0.00 55.97 55.10 2kki s LYS 119 Cb 0.08 -2.11 0.06 0.00 -2.06 0.00 0.00 37.83 33.80 2kki s LYS 119 CO 0.45 -0.53 0.63 1.21 0.10 0.00 0.00 175.35 177.20 2kki s ASN 120 N -4.17 -0.60 0.31 0.03 2.47 -0.49 -0.82 114.94 111.67 2kki s ASN 120 Ca 0.54 0.73 0.09 0.00 0.42 0.00 0.00 52.86 54.64 2kki s ASN 120 Cb -0.11 0.64 -0.04 0.00 -1.45 0.00 0.00 41.25 40.29 2kki s ASN 120 CO 0.53 -0.52 0.11 -0.72 -3.72 0.00 0.00 177.10 172.77 2kki s TYR 121 N -0.95 2.73 -0.31 0.43 -0.85 -1.18 -1.51 117.35 115.71 2kki s TYR 121 Ca -0.10 -0.32 0.01 0.00 -0.52 0.00 0.00 57.07 56.15 2kki s TYR 121 Cb -0.01 -1.50 0.10 0.00 0.38 0.00 0.00 41.96 40.92 2kki s TYR 121 CO 0.08 0.43 0.06 -0.06 -1.52 0.00 0.00 175.55 174.54 2kki s PHE 122 N -2.38 2.56 0.01 -3.49 0.40 -1.25 -3.23 117.98 110.60 2kki s PHE 122 Ca 0.36 -2.21 -0.21 0.00 -0.60 0.00 0.00 56.93 54.27 2kki s PHE 122 Cb -0.04 -2.16 -0.06 0.00 0.51 0.00 0.00 43.02 41.28 2kki s PHE 122 CO 0.22 -0.89 0.60 0.99 0.70 0.00 0.00 175.22 176.84 2kki s THR 123 N 1.32 4.88 -0.07 0.64 2.01 -0.96 -0.58 115.64 122.88 2kki s THR 123 Ca 0.08 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 63.04 2kki s THR 123 Cb -0.18 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2kki s THR 123 CO -0.16 0.44 1.36 -0.44 -0.69 0.00 0.00 174.62 175.12 2kki s SER 124 N -0.32 6.89 0.51 3.53 0.01 -0.16 0.13 113.70 124.28 2kki s SER 124 Ca 0.31 1.94 0.30 0.00 1.31 0.00 0.00 55.95 59.81 2kki s SER 124 Cb -0.18 -2.55 0.99 0.00 0.21 0.00 0.00 66.02 64.48 2kki s SER 124 CO 0.18 -0.74 1.85 0.58 0.41 0.00 0.00 173.24 175.51 2kki h VAL 125 N 5.22 0.02 -0.04 3.43 2.07 -1.88 -1.39 116.25 123.69 2kki h VAL 125 Ca -0.34 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 2kki h VAL 125 Cb 1.15 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2kki h VAL 125 CO 0.93 0.01 -0.08 0.00 0.02 0.00 0.00 177.57 178.44 2kki h ALA 126 N 1.99 0.06 -2.25 1.67 0.00 -1.87 -3.33 119.26 115.53 2kki h ALA 126 Ca -0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 2kki h ALA 126 Cb 0.70 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.16 2kki h ALA 126 CO 0.00 -0.08 -0.51 -1.58 0.00 0.00 0.00 179.25 177.07 2kki s HIS 127 N -3.90 -0.62 0.38 0.00 5.65 -1.05 -4.97 115.29 110.77 2kki s HIS 127 Ca -0.16 0.76 0.24 0.00 0.25 0.00 0.00 55.06 56.15 2kki s HIS 127 Cb 0.02 -0.06 1.36 0.00 -1.18 0.00 0.00 32.58 32.72 2kki s HIS 127 CO 0.71 -0.62 1.53 -2.30 -0.65 0.00 0.00 174.74 173.41 2kki n PRO 128 N 5.35 -0.05 0.01 2.88 -0.02 -0.55 -1.38 135.00 141.24 2kki n PRO 128 Ca -0.05 1.31 0.05 0.00 -2.02 0.00 0.00 63.50 62.79 2kki n PRO 128 Cb 0.50 -2.41 0.24 0.00 -0.02 0.00 0.00 33.50 31.81 2kki n PRO 128 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kki n ASN 129 N -5.04 0.06 -4.73 2.55 2.85 -1.26 -3.84 115.26 105.84 2kki n ASN 129 Ca 0.38 0.52 -0.35 0.00 -0.11 0.00 0.00 54.58 55.01 2kki n ASN 129 Cb 1.34 -0.53 -0.08 0.00 1.24 0.00 0.00 39.78 41.75 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kki s LEU 130 N -3.13 4.22 -0.11 1.20 1.43 -0.48 -0.20 118.68 121.61 2kki s LEU 130 Ca 0.05 0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.19 2kki s LEU 130 Cb 0.07 -2.18 0.06 0.00 0.03 0.00 0.00 46.19 44.17 2kki s LEU 130 CO 0.20 0.15 0.64 0.72 0.23 0.00 0.00 176.35 178.29 2kki s PHE 131 N 0.42 -0.63 -0.59 0.29 -0.12 0.17 -0.99 117.98 116.53 2kki s PHE 131 Ca 0.11 1.24 -0.25 0.00 -0.05 0.00 0.00 56.93 57.97 2kki s PHE 131 Cb -0.12 0.33 0.04 0.00 -0.63 0.00 0.00 43.02 42.64 2kki s PHE 131 CO -0.00 -0.51 1.04 0.42 -0.05 0.00 0.00 175.22 176.12 2kki s ILE 132 N -0.75 4.22 0.32 -4.49 1.01 0.26 -1.86 121.20 119.91 2kki s ILE 132 Ca -0.08 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.96 2kki s ILE 132 Cb -0.02 -4.64 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 2kki s ILE 132 CO 0.07 -1.28 0.53 0.00 0.00 0.00 0.00 174.94 174.26 2kki s ALA 133 N 4.39 3.70 -0.09 9.38 0.00 0.05 -4.31 121.76 134.89 2kki s ALA 133 Ca 0.33 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2kki s ALA 133 Cb -0.11 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.89 2kki s ALA 133 CO 0.20 0.09 -0.08 0.95 0.00 0.00 0.00 175.76 176.92 2kki s THR 134 N -2.21 0.94 0.04 0.00 -4.23 0.20 -3.22 115.64 107.16 2kki s THR 134 Ca 0.41 -0.29 0.04 0.00 -1.18 0.00 0.00 61.69 60.66 2kki s THR 134 Cb -0.10 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 2kki s THR 134 CO 0.34 0.34 -0.02 -0.54 -0.54 0.00 0.00 174.62 174.19 2kki s LYS 135 N 1.29 2.60 0.23 3.99 1.02 -1.26 -3.38 119.74 124.23 2kki s LYS 135 Ca -0.03 -0.75 0.12 0.00 0.02 0.00 0.00 55.97 55.33 2kki s LYS 135 Cb -0.14 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2kki s LYS 135 CO -0.03 0.58 1.41 0.37 -0.92 0.00 0.00 175.35 176.76 2kki h GLN 136 N 3.96 0.00 0.00 1.68 4.15 -1.93 -3.32 115.11 119.66 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 0.57 0.66 -0.72 -0.25 -1.93 0.00 0.00 178.83 177.17 2kki n ASP 137 N -3.30 3.30 -3.91 -0.69 9.92 -1.26 -4.69 116.55 115.93 2kki n ASP 137 Ca 0.01 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.12 2kki n ASP 137 Cb 0.79 0.22 0.07 0.00 -0.64 0.00 0.00 41.12 41.56 2kki n ASP 137 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2kki n TYR 138 N -1.83 -2.87 -1.53 1.24 4.01 -1.26 -4.93 117.16 109.99 2kki n TYR 138 Ca 0.00 -1.34 -0.32 0.00 -0.16 0.00 0.00 57.90 56.08 2kki n TYR 138 Cb 0.36 -0.48 0.07 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.94 2.66 -0.26 -0.72 0.51 -1.26 -4.06 118.94 113.87 2kki s TRP 139 Ca 0.46 1.54 -0.29 0.00 -2.12 0.00 0.00 56.10 55.69 2kki s TRP 139 Cb -0.03 -3.08 -0.02 0.00 -0.81 0.00 0.00 33.47 29.53 2kki s TRP 139 CO 0.30 -1.67 1.59 0.14 -0.51 0.00 0.00 176.95 176.81 2kki s VAL 140 N -2.66 3.72 0.00 4.03 -7.23 -0.57 -4.35 120.40 113.35 2kki s VAL 140 Ca 0.63 0.80 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 2kki s VAL 140 Cb -0.18 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 32.98 2kki s VAL 140 CO 0.49 -0.37 0.00 0.00 -0.31 0.00 0.00 175.10 174.91 2kki s LEU 142 N 0.00 2.42 0.11 0.00 2.96 -1.23 -0.77 118.68 122.16 2kki s LEU 142 Ca 0.00 -0.85 -0.26 0.00 -0.22 0.00 0.00 54.13 52.81 2kki s LEU 142 Cb 0.00 0.15 0.08 0.00 0.50 0.00 0.00 46.19 46.91 2kki s LEU 142 CO 0.00 -0.50 0.83 0.00 -1.32 0.00 0.00 176.35 175.36 2kki s ALA 143 N -3.15 -1.66 -0.30 5.97 0.00 -0.78 -1.87 121.76 119.97 2kki s ALA 143 Ca 0.00 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.49 2kki s ALA 143 Cb 0.02 0.63 0.45 0.00 0.00 0.00 0.00 23.12 24.22 2kki s ALA 143 CO -0.07 -0.85 1.62 0.41 0.00 0.00 0.00 175.76 176.87 2kki n GLY 144 N -0.36 3.68 0.00 0.00 0.00 0.72 -0.66 105.19 108.57 2kki n GLY 144 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2kki n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kki n GLY 145 N -0.60 0.99 3.19 -0.02 0.00 -1.26 -4.75 105.19 102.75 2kki n GLY 145 Ca 0.40 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.29 2.68 0.00 1.61 0.04 -1.26 -4.66 135.00 132.12 2kki s PRO 146 Ca 0.00 -0.79 0.10 0.00 0.04 0.00 0.00 61.00 60.35 2kki s PRO 146 Cb 0.00 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 2kki s PRO 146 CO 0.00 0.19 0.64 -0.35 0.04 0.00 0.00 177.00 177.51 2kki n PRO 147 N 3.46 2.06 -3.03 0.56 -0.04 -1.26 -5.02 135.00 131.74 2kki n PRO 147 Ca -0.19 -0.61 -0.36 0.00 -0.04 0.00 0.00 63.50 62.29 2kki n PRO 147 Cb 0.53 -1.09 -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 -1.36 7.12 -0.73 3.54 0.01 -1.26 -5.03 113.70 115.99 2kki s SER 148 Ca 0.08 1.51 -0.21 0.00 1.31 0.00 0.00 55.95 58.65 2kki s SER 148 Cb 0.08 -2.45 0.10 0.00 0.21 0.00 0.00 66.02 63.95 2kki s SER 148 CO 0.25 0.02 0.97 -0.63 0.41 0.00 0.00 173.24 174.26 2kki s ILE 149 N -1.53 4.53 -0.32 1.44 1.09 -1.22 -4.86 121.20 120.34 2kki s ILE 149 Ca 0.44 -0.85 -0.00 0.00 -1.10 0.00 0.00 60.65 59.14 2kki s ILE 149 Cb -0.17 -4.68 0.27 0.00 -1.06 0.00 0.00 42.46 36.81 2kki s ILE 149 CO 0.22 -1.42 1.87 0.35 -0.10 0.00 0.00 174.94 175.85 2kki n THR 150 N 5.72 2.65 -3.71 2.92 -2.24 -1.26 0.59 114.28 118.96 2kki n THR 150 Ca 0.04 -1.55 -0.32 0.00 -2.27 0.00 0.00 64.05 59.96 2kki n THR 150 Cb 0.46 -1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 67.49 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 -0.05 6.47 0.20 3.42 1.01 -1.26 -3.71 116.67 122.76 2kki s ASP 151 Ca 0.33 0.55 0.00 0.00 0.71 0.00 0.00 52.55 54.13 2kki s ASP 151 Cb 0.26 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 2kki s ASP 151 CO 0.01 0.07 0.08 0.72 0.21 0.00 0.00 175.17 176.27 2kki s PHE 152 N -1.63 1.22 -0.16 4.23 -0.71 -0.57 -3.57 117.98 116.80 2kki s PHE 152 Ca 0.40 -1.23 -0.28 0.00 -1.04 0.00 0.00 56.93 54.78 2kki s PHE 152 Cb -0.12 -0.67 0.07 0.00 -1.21 0.00 0.00 43.02 41.09 2kki s PHE 152 CO 0.25 -0.45 0.69 1.14 -1.34 0.00 0.00 175.22 175.50 2kki s GLN 153 N -4.06 0.94 -0.39 1.99 -2.07 0.13 -1.40 119.66 114.80 2kki s GLN 153 Ca 0.33 0.62 -0.20 0.00 -1.82 0.00 0.00 55.36 54.29 2kki s GLN 153 Cb 0.07 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.45 2kki s GLN 153 CO 0.09 -0.21 0.59 -1.50 -1.32 0.00 0.00 175.29 172.94 2kki s ILE 154 N -0.40 4.92 -0.19 3.63 2.07 -1.26 -3.15 121.20 126.82 2kki s ILE 154 Ca -0.05 0.29 -0.04 0.00 -1.41 0.00 0.00 60.65 59.44 2kki s ILE 154 Cb -0.03 -4.08 -0.02 0.00 0.13 0.00 0.00 42.46 38.46 2kki s ILE 154 CO 0.05 -0.39 -0.03 -0.76 -1.91 0.00 0.00 174.94 171.91 2kki s LEU 155 N 2.61 3.12 0.50 8.50 1.43 -0.46 -4.93 118.68 129.45 2kki s LEU 155 Ca 0.21 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 2kki s LEU 155 Cb -0.15 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2kki s LEU 155 CO 0.16 0.07 0.85 -0.70 0.23 0.00 0.00 176.35 176.95 2kki s GLU 156 N 0.96 3.61 0.61 1.70 2.12 -1.26 -0.63 118.70 125.80 2kki s GLU 156 Ca 0.00 0.39 -0.04 0.00 0.36 0.00 0.00 54.97 55.69 2kki s GLU 156 Cb -0.14 -2.30 0.03 0.00 0.26 0.00 0.00 34.13 31.97 2kki s GLU 156 CO 0.01 -0.26 0.89 0.54 -0.54 0.00 0.00 175.26 175.90 2kki s ASN 157 N -3.93 5.31 -0.08 -1.70 4.22 -1.26 -4.64 114.94 112.86 2kki s ASN 157 Ca 0.50 0.47 -0.20 0.00 -2.14 0.00 0.00 52.86 51.49 2kki s ASN 157 Cb -0.10 -1.36 -0.16 0.00 1.28 0.00 0.00 41.25 40.90 2kki s ASN 157 CO 0.44 -1.21 0.71 -0.61 -2.04 0.00 0.00 177.10 174.39 2kki h GLN 158 N -0.21 -0.10 0.00 3.55 5.75 -1.77 -3.47 115.11 118.86 2kki h GLN 158 Ca -0.45 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2kki h GLN 158 Cb 1.28 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.85 2kki h GLN 158 CO 0.59 0.43 0.00 0.00 -2.65 0.00 0.00 178.83 177.20