#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 5.20 0.07 3.44 1.01 -1.26 -4.42 120.40 124.44 2kki s VAL 10 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.56 2kki s VAL 10 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2kki s VAL 10 CO 0.00 0.20 0.14 -0.54 0.00 0.00 0.00 175.10 174.90 2kki s LYS 11 N 1.77 3.13 -0.22 2.72 -0.14 -1.13 -4.98 119.74 120.88 2kki s LYS 11 Ca 0.15 -0.58 -0.05 0.00 -1.36 0.00 0.00 55.97 54.13 2kki s LYS 11 Cb -0.15 -2.86 -0.02 0.00 -1.68 0.00 0.00 37.83 33.11 2kki s LYS 11 CO 0.09 0.59 -0.00 1.52 -0.76 0.00 0.00 175.35 176.78 2kki s TYR 12 N -1.44 3.01 -0.57 3.18 -0.85 -1.25 0.15 117.35 119.58 2kki s TYR 12 Ca 0.32 -0.69 -0.09 0.00 -0.52 0.00 0.00 57.07 56.09 2kki s TYR 12 Cb -0.13 -2.14 0.15 0.00 0.38 0.00 0.00 41.96 40.22 2kki s TYR 12 CO 0.25 -0.43 0.44 0.54 -1.52 0.00 0.00 175.55 174.83 2kki s ASN 13 N 1.41 5.78 -0.26 -0.18 4.22 0.10 -4.11 114.94 121.90 2kki s ASN 13 Ca 0.05 -2.25 -0.19 0.00 -2.14 0.00 0.00 52.86 48.32 2kki s ASN 13 Cb -0.15 -2.01 -0.02 0.00 1.28 0.00 0.00 41.25 40.35 2kki s ASN 13 CO -0.00 -0.60 0.57 0.72 -2.04 0.00 0.00 177.10 175.74 2kki s PHE 14 N 0.85 3.27 0.00 1.54 -0.71 -0.84 -3.90 117.98 118.18 2kki s PHE 14 Ca 0.10 0.70 0.00 0.00 -1.04 0.00 0.00 56.93 56.69 2kki s PHE 14 Cb -0.22 -2.79 0.00 0.00 -1.21 0.00 0.00 43.02 38.80 2kki s PHE 14 CO -0.03 -0.32 0.00 -0.12 -1.34 0.00 0.00 175.22 173.42 2kki n MET 15 N 5.64 0.00 -3.59 1.99 1.56 -1.11 -3.69 117.12 117.92 2kki n MET 15 Ca -0.02 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.31 2kki n MET 15 Cb 0.49 -0.11 -0.05 0.00 2.15 0.00 0.00 33.22 35.70 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 -0.81 0.53 -0.34 2.12 1.04 -1.20 -5.00 118.95 115.29 2kki s ARG 16 Ca 0.00 0.16 -0.29 0.00 -1.04 0.00 0.00 55.73 54.56 2kki s ARG 16 Cb 0.00 0.25 0.02 0.00 -2.04 0.00 0.00 34.95 33.18 2kki s ARG 16 CO 0.00 -0.16 1.07 0.96 -0.04 0.00 0.00 175.30 177.13 2kki s ILE 17 N -1.01 4.48 0.00 4.99 -4.36 -1.26 -1.24 121.20 122.80 2kki s ILE 17 Ca -0.00 1.65 0.00 0.00 -0.26 0.00 0.00 60.65 62.04 2kki s ILE 17 Cb -0.01 -4.43 0.00 0.00 1.25 0.00 0.00 42.46 39.27 2kki s ILE 17 CO 0.00 -0.54 0.00 -0.38 0.24 0.00 0.00 174.94 174.26 2kki n ILE 18 N 5.98 0.00 -4.25 8.37 5.41 -1.10 -4.96 119.36 128.81 2kki n ILE 18 Ca 0.12 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.64 2kki n ILE 18 Cb 0.47 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.34 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 2.13 2.38 0.08 0.38 1.02 -1.09 -4.93 119.74 119.72 2kki s LYS 19 Ca 0.00 -1.39 -0.13 0.00 0.02 0.00 0.00 55.97 54.47 2kki s LYS 19 Cb 0.00 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 35.12 2kki s LYS 19 CO 0.00 0.33 0.30 1.52 -0.92 0.00 0.00 175.35 176.58 2kki s TYR 20 N -2.32 -0.06 -1.46 3.18 1.13 -1.26 -0.52 117.35 116.05 2kki s TYR 20 Ca 0.32 -0.21 -0.08 0.00 -1.41 0.00 0.00 57.07 55.70 2kki s TYR 20 Cb -0.06 0.09 0.02 0.00 -1.10 0.00 0.00 41.96 40.92 2kki s TYR 20 CO 0.21 -0.57 0.89 0.39 -2.51 0.00 0.00 175.55 173.97 2kki n GLU 21 N 0.19 -6.19 -4.07 -3.49 1.02 -0.54 -4.96 120.64 102.61 2kki n GLU 21 Ca -0.17 0.81 -0.22 0.00 -0.02 0.00 0.00 57.16 57.56 2kki n GLU 21 Cb 0.61 -5.75 -0.04 0.00 -0.02 0.00 0.00 31.44 26.24 2kki n GLU 21 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2kki s PHE 22 N -3.24 3.08 -0.14 -0.32 0.08 -1.22 -4.89 117.98 111.34 2kki s PHE 22 Ca 0.48 -0.14 -0.11 0.00 0.12 0.00 0.00 56.93 57.28 2kki s PHE 22 Cb -0.22 -1.46 -0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2kki s PHE 22 CO 0.59 0.47 0.22 0.42 -0.10 0.00 0.00 175.22 176.82 2kki s ILE 23 N -2.16 5.35 -0.25 0.64 -1.09 -0.04 -2.83 121.20 120.81 2kki s ILE 23 Ca 0.34 0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 59.05 2kki s ILE 23 Cb -0.08 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 2kki s ILE 23 CO 0.25 0.50 0.21 -0.22 -1.23 0.00 0.00 174.94 174.45 2kki s LEU 24 N -0.22 4.08 0.04 2.97 0.20 -1.26 -1.28 118.68 123.21 2kki s LEU 24 Ca 0.15 0.11 0.03 0.00 0.69 0.00 0.00 54.13 55.12 2kki s LEU 24 Cb -0.13 -2.17 -0.02 0.00 -0.43 0.00 0.00 46.19 43.44 2kki s LEU 24 CO 0.04 -0.01 -0.10 0.20 -0.29 0.00 0.00 176.35 176.19 2kki s ASN 25 N 1.37 1.15 0.76 3.68 -0.87 -1.09 -1.16 114.94 118.78 2kki s ASN 25 Ca 0.09 -0.47 -0.03 0.00 -1.57 0.00 0.00 52.86 50.88 2kki s ASN 25 Cb -0.15 -0.03 0.15 0.00 -0.02 0.00 0.00 41.25 41.20 2kki s ASN 25 CO 0.08 -0.09 0.98 -0.90 -2.57 0.00 0.00 177.10 174.60 2kki n ASP 26 N 1.76 1.05 0.10 -1.22 5.68 -1.23 0.95 116.55 123.64 2kki n ASP 26 Ca -0.20 -1.95 0.11 0.00 -0.50 0.00 0.00 54.79 52.25 2kki n ASP 26 Cb 0.55 -0.66 0.45 0.00 -1.14 0.00 0.00 41.12 40.33 2kki n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kki n ALA 27 N -3.06 1.70 0.56 2.12 0.00 -1.26 0.04 120.51 120.61 2kki n ALA 27 Ca -0.16 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2kki n ALA 27 Cb 0.54 -1.36 0.45 0.00 0.00 0.00 0.00 19.45 19.08 2kki n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kki n LEU 28 N -2.08 0.51 -3.36 0.00 4.77 -1.26 -4.94 117.00 110.65 2kki n LEU 28 Ca 0.03 0.59 -0.13 0.00 -0.03 0.00 0.00 56.01 56.47 2kki n LEU 28 Cb 0.23 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2kki n LEU 28 CO 0.19 -0.33 0.06 0.59 -1.33 0.00 0.00 177.39 176.57 2kki n ASN 29 N -2.02 -6.53 -3.82 -1.43 3.02 0.11 -4.96 115.26 99.63 2kki n ASN 29 Ca 0.04 -0.38 -0.26 0.00 -0.03 0.00 0.00 54.58 53.95 2kki n ASN 29 Cb 0.29 -3.68 -0.17 0.00 -0.61 0.00 0.00 39.78 35.61 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 -3.69 1.00 -0.02 3.52 -1.52 -1.26 -3.89 119.66 113.80 2kki s GLN 30 Ca 0.04 -0.28 -0.30 0.00 -1.95 0.00 0.00 55.36 52.87 2kki s GLN 30 Cb -0.01 -1.68 -0.06 0.00 -0.22 0.00 0.00 33.01 31.03 2kki s GLN 30 CO 0.82 -0.43 1.67 -1.12 -0.25 0.00 0.00 175.29 175.98 2kki s SER 31 N 1.80 6.64 -0.58 5.90 0.01 0.20 -3.49 113.70 124.17 2kki s SER 31 Ca 0.02 2.33 -0.27 0.00 1.31 0.00 0.00 55.95 59.33 2kki s SER 31 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2kki s SER 31 CO -0.07 -0.92 1.55 -0.51 0.41 0.00 0.00 173.24 173.70 2kki s ILE 32 N 3.70 3.63 0.17 1.44 1.10 -0.31 -0.40 121.20 130.53 2kki s ILE 32 Ca 0.75 0.49 0.03 0.00 -0.51 0.00 0.00 60.65 61.40 2kki s ILE 32 Cb -0.36 -4.31 -0.03 0.00 0.15 0.00 0.00 42.46 37.91 2kki s ILE 32 CO 0.31 -1.15 0.30 -0.63 -2.11 0.00 0.00 174.94 171.67 2kki s ILE 33 N 6.91 5.30 -0.37 2.00 1.01 -0.69 -1.94 121.20 133.41 2kki s ILE 33 Ca 0.56 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 60.15 2kki s ILE 33 Cb -0.12 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.60 2kki s ILE 33 CO 0.23 -0.16 1.08 -0.60 0.00 0.00 0.00 174.94 175.50 2kki s ARG 34 N -3.44 3.94 -0.10 2.79 3.52 -1.26 -2.66 118.95 121.74 2kki s ARG 34 Ca 0.34 0.87 -0.04 0.00 -0.13 0.00 0.00 55.73 56.78 2kki s ARG 34 Cb -0.10 -3.80 -0.26 0.00 -1.56 0.00 0.00 34.95 29.23 2kki s ARG 34 CO 0.29 -1.06 0.45 0.00 -0.81 0.00 0.00 175.30 174.17 2kki h ALA 35 N 8.48 0.47 -2.64 6.12 0.00 -1.83 -3.48 119.26 126.37 2kki h ALA 35 Ca -0.21 -1.38 -0.12 0.00 0.00 0.00 0.00 54.91 53.19 2kki h ALA 35 Cb 1.06 0.65 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 2kki h ALA 35 CO 1.06 1.33 -0.36 -0.80 0.00 0.00 0.00 179.25 180.49 2kki s ASN 36 N -6.91 0.06 0.00 0.00 0.01 0.02 -4.97 114.94 103.14 2kki s ASN 36 Ca -0.19 -0.97 0.24 0.00 -0.71 0.00 0.00 52.86 51.23 2kki s ASN 36 Cb 0.07 0.44 1.35 0.00 0.41 0.00 0.00 41.25 43.52 2kki s ASN 36 CO 0.79 -0.91 1.77 -0.90 -1.51 0.00 0.00 177.10 176.34 2kki n ASP 37 N -0.24 0.00 0.00 -1.22 5.75 -1.26 -3.12 116.55 116.47 2kki n ASP 37 Ca -0.05 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 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 0.00 -0.11 0.00 0.00 177.20 177.09 2kki n GLN 38 N -1.07 2.41 -4.53 0.11 6.02 -1.26 -4.70 117.38 114.36 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 0.11 -0.98 -0.14 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.94 1.65 -0.03 1.08 2.02 -1.18 -3.95 117.35 115.01 2kki s TYR 39 Ca 0.00 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 2kki s TYR 39 Cb 0.00 -0.98 -0.00 0.00 -0.40 0.00 0.00 41.96 40.58 2kki s TYR 39 CO 0.00 0.09 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.77 2kki s LEU 40 N -1.24 1.90 -0.03 -1.29 2.96 -1.26 -0.80 118.68 118.92 2kki s LEU 40 Ca 0.06 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2kki s LEU 40 Cb -0.09 -0.71 -0.00 0.00 0.50 0.00 0.00 46.19 45.90 2kki s LEU 40 CO 0.02 0.12 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.15 2kki s THR 41 N -0.02 1.07 0.06 3.68 2.01 -1.09 -0.38 115.64 120.97 2kki s THR 41 Ca -0.01 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.30 2kki s THR 41 Cb -0.08 -0.93 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 2kki s THR 41 CO 0.01 0.32 0.52 0.00 -0.69 0.00 0.00 174.62 174.78 2kki s ALA 42 N 0.11 3.62 -0.14 7.40 0.00 -1.22 -1.71 121.76 129.81 2kki s ALA 42 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 2kki s ALA 42 Cb -0.10 -2.56 0.05 0.00 0.00 0.00 0.00 23.12 20.51 2kki s ALA 42 CO 0.01 0.43 0.35 0.00 0.00 0.00 0.00 175.76 176.55 2kki s ALA 43 N -1.14 -0.87 0.19 0.00 0.00 0.47 -4.53 121.76 115.88 2kki s ALA 43 Ca 0.28 1.21 -0.33 0.00 0.00 0.00 0.00 51.96 53.13 2kki s ALA 43 Cb -0.18 -0.73 -0.13 0.00 0.00 0.00 0.00 23.12 22.07 2kki s ALA 43 CO 0.18 -0.21 1.65 0.00 0.00 0.00 0.00 175.76 177.37 2kki n ALA 44 N 3.78 2.14 -1.56 0.00 0.00 -1.25 0.60 120.51 124.21 2kki n ALA 44 Ca -0.20 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 2kki n ALA 44 Cb 0.55 -2.44 0.04 0.00 0.00 0.00 0.00 19.45 17.60 2kki n ALA 44 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2kki s LEU 45 N 1.03 3.46 0.00 0.00 -0.00 -1.26 -4.74 118.68 117.17 2kki s LEU 45 Ca 0.77 2.05 0.00 0.00 -0.00 0.00 0.00 54.13 56.95 2kki s LEU 45 Cb -0.59 -4.56 0.00 0.00 -0.00 0.00 0.00 46.19 41.04 2kki s LEU 45 CO 0.35 -1.56 0.00 0.00 -0.00 0.00 0.00 176.35 175.14 2kki n HIS 46 N -2.18 0.00 1.13 3.48 1.44 -1.26 -4.71 115.22 113.12 2kki n HIS 46 Ca 0.11 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.94 2kki n HIS 46 Cb 0.52 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.83 2kki n HIS 46 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2kki n ASN 47 N 0.00 2.48 0.00 4.39 5.15 -1.26 -4.98 115.26 121.04 2kki n ASN 47 Ca 0.00 -1.80 0.00 0.00 -0.60 0.00 0.00 54.58 52.18 2kki n ASN 47 Cb 0.00 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 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 0.88 0.00 -4.56 1.20 4.77 -1.26 -3.03 117.00 115.00 2kki n LEU 48 Ca 0.15 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.74 2kki n LEU 48 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2kki n LEU 48 CO 0.17 0.00 1.51 -0.62 -1.33 0.00 0.00 177.39 177.12 2kki s ASP 49 N 0.00 6.27 0.00 -1.43 -1.08 -1.26 -4.25 116.67 114.91 2kki s ASP 49 Ca 0.00 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 2kki s ASP 49 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 2kki s ASP 49 CO 0.00 -1.73 0.00 1.21 0.52 0.00 0.00 175.17 175.17 2kki n GLU 50 N 8.82 0.00 -2.12 4.34 4.07 -1.26 -5.00 120.64 129.49 2kki n GLU 50 Ca 0.36 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 57.17 2kki n GLU 50 Cb 0.50 -0.48 0.03 0.00 -0.06 0.00 0.00 31.44 31.43 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 -1.00 3.11 0.16 4.31 0.00 -1.26 -4.79 121.76 122.30 2kki s ALA 51 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 2kki s ALA 51 Cb 0.00 -2.86 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 2kki s ALA 51 CO 0.00 -0.86 1.33 0.14 0.00 0.00 0.00 175.76 176.37 2kki s VAL 52 N -3.15 3.29 -0.18 0.00 -7.23 -0.82 -4.91 120.40 107.40 2kki s VAL 52 Ca 0.55 1.00 -0.17 0.00 -1.81 0.00 0.00 61.98 61.56 2kki s VAL 52 Cb -0.11 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 2kki s VAL 52 CO 0.49 0.12 0.43 -0.54 -0.31 0.00 0.00 175.10 175.30 2kki s LYS 53 N 0.37 4.21 0.37 4.82 1.02 -1.26 -4.48 119.74 124.79 2kki s LYS 53 Ca 0.59 0.29 0.07 0.00 0.02 0.00 0.00 55.97 56.94 2kki s LYS 53 Cb -0.36 -3.52 -0.00 0.00 -0.52 0.00 0.00 37.83 33.43 2kki s LYS 53 CO 0.35 -0.01 0.51 -0.06 -0.92 0.00 0.00 175.35 175.22 2kki s PHE 54 N 1.20 3.01 -0.02 3.18 0.40 -1.13 0.54 117.98 125.17 2kki s PHE 54 Ca 0.21 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2kki s PHE 54 Cb -0.15 -2.13 0.03 0.00 0.51 0.00 0.00 43.02 41.28 2kki s PHE 54 CO 0.08 -0.16 0.02 0.34 0.70 0.00 0.00 175.22 176.21 2kki s ASP 55 N -4.23 0.17 -0.14 1.36 2.15 0.14 -1.46 116.67 114.66 2kki s ASP 55 Ca 0.48 0.02 -0.04 0.00 0.43 0.00 0.00 52.55 53.44 2kki s ASP 55 Cb -0.10 -0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.38 2kki s ASP 55 CO 0.32 -0.11 0.00 -0.04 -0.17 0.00 0.00 175.17 175.17 2kki s MET 56 N 1.01 3.52 -0.03 4.34 -1.94 0.32 -2.29 119.30 124.22 2kki s MET 56 Ca -0.09 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 2kki s MET 56 Cb -0.13 -2.95 0.03 0.00 2.01 0.00 0.00 34.83 33.79 2kki s MET 56 CO -0.02 0.42 -0.00 0.20 -0.01 0.00 0.00 175.02 175.60 2kki s GLY 57 N -0.08 0.27 0.28 -0.03 0.00 -1.09 -2.69 107.32 103.98 2kki s GLY 57 Ca 0.04 0.13 -0.20 0.00 0.00 0.00 0.00 44.72 44.69 2kki s GLY 57 CO 0.02 0.62 0.80 0.00 0.00 0.00 0.00 173.10 174.54 2kki s ALA 58 N 1.07 3.31 0.09 3.20 0.00 -0.38 0.27 121.76 129.32 2kki s ALA 58 Ca -0.09 0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.19 2kki s ALA 58 Cb -0.14 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2kki s ALA 58 CO -0.02 0.27 -0.18 1.52 0.00 0.00 0.00 175.76 177.36 2kki s TYR 59 N -1.70 1.55 -0.04 0.00 -0.85 -0.67 -2.75 117.35 112.89 2kki s TYR 59 Ca 0.49 -0.44 -0.00 0.00 -0.52 0.00 0.00 57.07 56.60 2kki s TYR 59 Cb -0.15 -0.86 0.03 0.00 0.38 0.00 0.00 41.96 41.36 2kki s TYR 59 CO 0.20 0.15 0.01 0.21 -1.52 0.00 0.00 175.55 174.60 2kki s LYS 60 N -1.85 0.30 0.04 -3.49 2.47 -1.24 -4.36 119.74 111.62 2kki s LYS 60 Ca 0.03 0.14 -0.00 0.00 -1.56 0.00 0.00 55.97 54.58 2kki s LYS 60 Cb -0.10 -0.60 -0.03 0.00 -1.46 0.00 0.00 37.83 35.64 2kki s LYS 60 CO 0.03 -0.21 -0.04 -1.54 0.16 0.00 0.00 175.35 173.76 2kki s SER 61 N 1.46 0.52 -0.37 1.43 1.04 -1.26 -3.71 113.70 112.80 2kki s SER 61 Ca -0.04 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 2kki s SER 61 Cb -0.13 0.14 0.09 0.00 0.10 0.00 0.00 66.02 66.22 2kki s SER 61 CO -0.03 -0.44 2.56 -1.54 0.98 0.00 0.00 173.24 174.76 2kki n SER 62 N 0.73 6.38 -1.16 7.02 3.41 -1.26 -4.04 113.62 124.69 2kki n SER 62 Ca -0.18 -3.10 -0.00 0.00 -0.26 0.00 0.00 58.87 55.33 2kki n SER 62 Cb 0.58 -1.18 0.13 0.00 -0.26 0.00 0.00 64.21 63.48 2kki n SER 62 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2kki n LYS 63 N 0.80 1.66 0.00 4.33 2.85 -1.26 -5.03 118.16 121.51 2kki n LYS 63 Ca 0.41 -3.23 0.00 0.00 -1.05 0.00 0.00 58.31 54.45 2kki n LYS 63 Cb 0.59 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 2kki n LYS 63 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kki n ASP 64 N -0.70 0.00 0.00 -5.58 8.00 -1.26 -5.09 116.55 111.92 2kki n ASP 64 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2kki n ASP 64 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 2kki n ASP 64 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kki n ASP 65 N 0.00 0.00 -0.31 -2.24 9.92 -1.26 -4.95 116.55 117.71 2kki n ASP 65 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 2kki n ASP 65 Cb 0.00 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.54 2kki n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kki n ALA 66 N -1.67 2.09 -3.03 2.24 0.00 -1.26 -5.09 120.51 113.79 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 -0.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 2kki n ALA 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kki s LYS 67 N -1.19 0.25 0.10 0.00 -2.85 -1.26 -5.15 119.74 109.64 2kki s LYS 67 Ca 0.13 -0.02 0.04 0.00 -1.00 0.00 0.00 55.97 55.12 2kki s LYS 67 Cb 0.11 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 2kki s LYS 67 CO 0.01 -0.04 0.08 0.96 0.10 0.00 0.00 175.35 176.46 2kki s ILE 68 N -0.40 4.44 -0.10 3.79 -4.36 -1.26 -4.77 121.20 118.54 2kki s ILE 68 Ca -0.05 -0.87 -0.01 0.00 -0.26 0.00 0.00 60.65 59.46 2kki s ILE 68 Cb -0.03 -3.16 -0.03 0.00 1.25 0.00 0.00 42.46 40.48 2kki s ILE 68 CO 0.00 0.07 -0.05 0.28 0.24 0.00 0.00 174.94 175.49 2kki s THR 69 N -1.46 3.86 0.31 8.37 -1.32 -1.25 -3.62 115.64 120.53 2kki s THR 69 Ca 0.29 -0.40 0.11 0.00 -1.21 0.00 0.00 61.69 60.47 2kki s THR 69 Cb -0.12 -2.62 -0.06 0.00 -1.51 0.00 0.00 72.50 68.20 2kki s THR 69 CO 0.22 0.57 -0.15 0.68 -2.21 0.00 0.00 174.62 173.73 2kki s VAL 70 N -0.48 2.35 -0.18 5.08 -7.23 -0.14 -1.67 120.40 118.14 2kki s VAL 70 Ca 0.08 -2.30 -0.05 0.00 -1.81 0.00 0.00 61.98 57.89 2kki s VAL 70 Cb -0.12 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2kki s VAL 70 CO 0.02 -0.30 0.01 -0.63 -0.31 0.00 0.00 175.10 173.89 2kki s ILE 71 N -2.56 4.18 -0.28 -0.62 1.01 0.14 -2.76 121.20 120.30 2kki s ILE 71 Ca 0.31 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 2kki s ILE 71 Cb -0.01 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 2kki s ILE 71 CO 0.16 0.46 0.08 -0.22 0.00 0.00 0.00 174.94 175.41 2kki s LEU 72 N 0.62 3.70 0.06 2.97 2.96 -1.26 -2.68 118.68 125.06 2kki s LEU 72 Ca -0.00 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2kki s LEU 72 Cb -0.14 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2kki s LEU 72 CO 0.02 -0.13 -0.08 0.00 -1.32 0.00 0.00 176.35 174.84 2kki s ARG 73 N 1.55 0.66 -0.09 1.98 1.70 -0.97 -3.17 118.95 120.61 2kki s ARG 73 Ca 0.04 -0.97 -0.25 0.00 -0.47 0.00 0.00 55.73 54.08 2kki s ARG 73 Cb -0.16 -0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 33.88 2kki s ARG 73 CO 0.03 0.04 0.80 0.96 -1.08 0.00 0.00 175.30 176.04 2kki s ILE 74 N -2.15 4.96 0.61 4.99 -0.00 -1.24 0.28 121.20 128.65 2kki s ILE 74 Ca -0.02 1.62 0.27 0.00 -0.00 0.00 0.00 60.65 62.52 2kki s ILE 74 Cb -0.05 -4.12 0.34 0.00 -0.00 0.00 0.00 42.46 38.63 2kki s ILE 74 CO -0.01 0.15 1.78 0.77 -0.00 0.00 0.00 174.94 177.63 2kki h SER 75 N 6.99 0.00 0.00 4.36 4.64 -0.17 -3.19 113.55 126.17 2kki h SER 75 Ca -0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 2kki h SER 75 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2kki h SER 75 CO 0.78 0.00 -0.15 0.11 -0.87 0.00 0.00 176.83 176.71 2kki h LYS 76 N 0.00 0.00 -5.91 4.77 1.57 -1.92 -3.47 116.57 111.60 2kki h LYS 76 Ca 0.19 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.41 2kki h LYS 76 Cb 1.32 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.55 2kki h LYS 76 CO -0.00 0.28 -0.49 0.99 -0.57 0.00 0.00 179.45 179.66 2kki s THR 77 N -1.85 2.33 -1.03 -0.16 2.01 -1.21 -5.05 115.64 110.68 2kki s THR 77 Ca -0.08 -1.68 -0.03 0.00 0.31 0.00 0.00 61.69 60.21 2kki s THR 77 Cb -0.00 -3.00 0.30 0.00 0.01 0.00 0.00 72.50 69.81 2kki s THR 77 CO 0.22 -0.00 1.39 0.00 -0.69 0.00 0.00 174.62 175.53 2kki n GLN 78 N -1.25 4.23 -3.56 4.92 3.00 -1.26 -4.28 117.38 119.17 2kki n GLN 78 Ca -0.01 -4.57 -0.40 0.00 -0.01 0.00 0.00 57.00 52.02 2kki n GLN 78 Cb 0.64 -2.48 -0.11 0.00 0.00 0.00 0.00 30.24 28.29 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 -2.70 4.41 0.19 1.08 1.02 -1.26 -3.41 118.68 118.00 2kki s LEU 79 Ca 0.32 -0.44 0.06 0.00 0.02 0.00 0.00 54.13 54.09 2kki s LEU 79 Cb 0.05 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 2kki s LEU 79 CO 0.09 -0.22 0.10 -0.31 0.02 0.00 0.00 176.35 176.03 2kki s TYR 80 N 1.70 3.04 -0.19 0.29 1.51 0.13 -3.69 117.35 120.13 2kki s TYR 80 Ca 0.06 -0.08 -0.26 0.00 -1.01 0.00 0.00 57.07 55.78 2kki s TYR 80 Cb -0.17 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 2kki s TYR 80 CO 0.09 0.53 0.86 0.08 -1.11 0.00 0.00 175.55 176.00 2kki s VAL 81 N -1.85 4.84 0.04 0.71 1.01 -1.19 -0.41 120.40 123.55 2kki s VAL 81 Ca 0.30 1.68 -0.09 0.00 0.00 0.00 0.00 61.98 63.87 2kki s VAL 81 Cb -0.09 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2kki s VAL 81 CO 0.22 -0.02 0.34 0.42 0.00 0.00 0.00 175.10 176.06 2kki s THR 82 N 2.45 5.18 -0.28 3.92 -4.23 -0.51 -2.76 115.64 119.42 2kki s THR 82 Ca 0.38 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 2kki s THR 82 Cb -0.16 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 2kki s THR 82 CO 0.10 0.33 0.19 0.00 -0.54 0.00 0.00 174.62 174.71 2kki s ALA 83 N -1.34 3.53 0.00 3.99 0.00 -0.97 -3.07 121.76 123.91 2kki s ALA 83 Ca 0.30 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2kki s ALA 83 Cb -0.14 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.50 2kki s ALA 83 CO 0.17 -0.54 0.00 0.94 0.00 0.00 0.00 175.76 176.33 2kki n GLN 84 N 5.04 0.00 -3.46 0.00 0.00 -1.26 -4.94 117.38 112.76 2kki n GLN 84 Ca -0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 56.68 2kki n GLN 84 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.64 2kki n GLN 84 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2kki s ASP 85 N -1.00 1.61 0.80 1.69 2.15 -1.26 -4.86 116.67 115.80 2kki s ASP 85 Ca 0.00 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.51 2kki s ASP 85 Cb 0.00 0.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 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 -1.98 4.34 2.13 -0.99 -3.56 120.64 125.90 2kki n GLU 86 Ca -0.04 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.47 2kki n GLU 86 Cb 0.48 0.00 -0.06 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 1.97 3.08 -3.66 4.31 2.03 -0.72 -3.22 116.55 120.34 2kki n ASP 87 Ca 0.00 -2.70 -0.07 0.00 0.52 0.00 0.00 54.79 52.54 2kki n ASP 87 Cb 0.00 -1.67 -0.08 0.00 -0.72 0.00 0.00 41.12 38.65 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 6.22 0.37 0.64 -0.67 2.00 -1.23 -4.92 119.66 122.08 2kki s GLN 88 Ca 0.67 1.11 -0.18 0.00 -2.00 0.00 0.00 55.36 54.96 2kki s GLN 88 Cb 0.01 0.43 -0.02 0.00 0.80 0.00 0.00 33.01 34.24 2kki s GLN 88 CO 0.13 -0.24 1.26 -2.30 -0.50 0.00 0.00 175.29 173.65 2kki n PRO 89 N 5.38 1.11 -1.77 1.67 -0.02 -1.26 -3.57 135.00 136.53 2kki n PRO 89 Ca -0.09 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2kki n PRO 89 Cb 0.49 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 2kki n PRO 89 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kki s VAL 90 N -1.39 2.20 -0.00 -1.45 -7.23 -1.01 -4.79 120.40 106.72 2kki s VAL 90 Ca 0.82 0.11 -0.08 0.00 -1.81 0.00 0.00 61.98 61.02 2kki s VAL 90 Cb -0.38 -3.07 -0.05 0.00 0.56 0.00 0.00 36.38 33.44 2kki s VAL 90 CO 0.41 0.01 0.28 -0.76 -0.31 0.00 0.00 175.10 174.73 2kki s LEU 91 N 1.33 4.38 -0.57 1.32 1.43 -1.17 -4.83 118.68 120.57 2kki s LEU 91 Ca 0.74 0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 54.29 2kki s LEU 91 Cb -0.48 -2.62 0.10 0.00 0.03 0.00 0.00 46.19 43.22 2kki s LEU 91 CO 0.32 0.27 0.65 -0.76 0.23 0.00 0.00 176.35 177.06 2kki s LEU 92 N -1.60 5.46 -0.20 1.79 1.43 -1.25 -1.42 118.68 122.89 2kki s LEU 92 Ca 0.26 -1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 51.77 2kki s LEU 92 Cb -0.14 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 2kki s LEU 92 CO 0.14 -1.03 0.50 -1.59 0.23 0.00 0.00 176.35 174.60 2kki s LYS 93 N 2.47 4.19 -0.78 1.70 -2.85 0.45 -4.83 119.74 120.10 2kki s LYS 93 Ca 0.10 0.38 -0.18 0.00 -1.00 0.00 0.00 55.97 55.27 2kki s LYS 93 Cb -0.24 -3.55 0.14 0.00 -2.06 0.00 0.00 37.83 32.11 2kki s LYS 93 CO 0.07 -0.12 0.91 -2.00 0.10 0.00 0.00 175.35 174.31 2kki s GLU 94 N 1.53 3.39 -0.24 1.78 -6.30 -1.26 0.21 118.70 117.80 2kki s GLU 94 Ca 0.23 -1.69 -0.02 0.00 -2.50 0.00 0.00 54.97 51.00 2kki s GLU 94 Cb -0.15 -4.55 0.02 0.00 0.00 0.00 0.00 34.13 29.45 2kki s GLU 94 CO 0.09 -1.61 -0.07 -1.64 0.02 0.00 0.00 175.26 172.06 2kki s MET 95 N 2.28 2.86 0.08 4.30 -1.94 -1.22 -4.98 119.30 120.68 2kki s MET 95 Ca 0.22 -0.96 -0.31 0.00 -1.71 0.00 0.00 55.69 52.94 2kki s MET 95 Cb -0.13 -2.96 -0.07 0.00 2.01 0.00 0.00 34.83 33.68 2kki s MET 95 CO -0.03 -0.38 1.32 -1.25 -0.01 0.00 0.00 175.02 174.67 2kki s PRO 96 N 1.33 4.35 0.29 2.03 0.04 -1.26 -4.69 135.00 137.09 2kki s PRO 96 Ca 0.01 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2kki s PRO 96 Cb -0.16 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2kki s PRO 96 CO -0.05 -0.40 0.00 0.39 0.04 0.00 0.00 177.00 176.98 2kki n GLU 97 N 4.16 -2.30 -2.07 4.56 1.02 -1.26 -4.85 120.64 119.90 2kki n GLU 97 Ca 0.11 1.74 -0.42 0.00 -0.02 0.00 0.00 57.16 58.57 2kki n GLU 97 Cb 0.44 -2.06 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 2kki n GLU 97 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2kki s ILE 98 N -3.70 3.61 0.44 -3.67 1.10 -1.26 -4.98 121.20 112.74 2kki s ILE 98 Ca 0.00 0.81 -0.23 0.00 -0.51 0.00 0.00 60.65 60.73 2kki s ILE 98 Cb 0.00 -3.52 -0.08 0.00 0.15 0.00 0.00 42.46 39.00 2kki s ILE 98 CO 0.00 -0.05 1.09 -2.16 -2.11 0.00 0.00 174.94 171.70 2kki s PRO 99 N 3.61 3.95 -0.01 3.50 0.04 -1.26 -4.94 135.00 139.88 2kki s PRO 99 Ca 0.70 1.57 0.15 0.00 0.04 0.00 0.00 61.00 63.46 2kki s PRO 99 Cb -0.33 -2.41 -0.20 0.00 0.04 0.00 0.00 34.50 31.61 2kki s PRO 99 CO 0.28 -0.34 0.45 1.63 0.04 0.00 0.00 177.00 179.06 2kki n LYS 100 N -0.39 1.18 -3.68 4.56 5.02 -1.26 -4.84 118.16 118.74 2kki n LYS 100 Ca 0.07 -0.08 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 2kki n LYS 100 Cb 0.50 -1.28 -0.17 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.76 0.07 -0.42 -0.18 -1.32 -1.25 0.00 115.64 109.78 2kki s THR 101 Ca -0.01 0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.40 2kki s THR 101 Cb 0.10 -0.45 0.03 0.00 -1.51 0.00 0.00 72.50 70.67 2kki s THR 101 CO 0.61 0.03 0.35 -0.51 -2.21 0.00 0.00 174.62 172.89 2kki s ILE 102 N 2.08 5.20 -0.19 5.08 1.10 0.40 -4.26 121.20 130.62 2kki s ILE 102 Ca 0.04 -0.62 0.01 0.00 -0.51 0.00 0.00 60.65 59.56 2kki s ILE 102 Cb -0.14 -3.99 0.04 0.00 0.15 0.00 0.00 42.46 38.52 2kki s ILE 102 CO -0.06 -0.38 -0.12 0.28 -2.11 0.00 0.00 174.94 172.55 2kki s THR 103 N 1.81 1.67 0.00 4.00 -1.32 -1.16 -2.83 115.64 117.82 2kki s THR 103 Ca 0.07 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 2kki s THR 103 Cb -0.19 -1.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 2kki s THR 103 CO 0.11 0.25 0.00 0.61 -2.21 0.00 0.00 174.62 173.38 2kki n GLY 104 N 4.69 0.00 0.20 6.08 0.00 -1.26 -3.00 105.19 111.90 2kki n GLY 104 Ca -0.16 0.00 0.14 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 -1.97 -2.82 113.55 110.40 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 -2.53 0.93 0.00 3.45 4.07 -1.16 -3.67 120.64 121.72 2kki n GLU 106 Ca -0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 2kki n GLU 106 Cb 0.14 -1.29 0.23 0.00 -0.06 0.00 0.00 31.44 30.47 2kki n GLU 106 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2kki n THR 107 N -0.79 1.04 -0.01 6.31 -2.24 -1.06 -1.75 114.28 115.78 2kki n THR 107 Ca 0.13 0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 62.16 2kki n THR 107 Cb 0.06 -1.09 0.27 0.00 -2.10 0.00 0.00 70.33 67.46 2kki n THR 107 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2kki h ASN 108 N 0.00 0.51 -0.61 3.42 4.21 -1.84 -3.20 115.58 118.07 2kki h ASN 108 Ca 0.00 -0.11 -0.37 0.00 1.21 0.00 0.00 56.30 57.03 2kki h ASN 108 Cb 0.13 -0.14 -0.18 0.00 -1.12 0.00 0.00 38.32 37.01 2kki h ASN 108 CO 0.00 0.62 0.47 -0.11 -1.29 0.00 0.00 177.43 177.12 2kki n LEU 109 N -4.24 6.07 -4.81 1.61 7.94 -0.72 -2.28 117.00 120.57 2kki n LEU 109 Ca 0.01 -3.19 -0.36 0.00 -1.11 0.00 0.00 56.01 51.36 2kki n LEU 109 Cb 0.28 -0.88 -0.07 0.00 0.53 0.00 0.00 43.42 43.28 2kki n LEU 109 CO 0.40 1.07 -0.19 -1.48 -1.11 0.00 0.00 177.39 176.08 2kki s LEU 110 N -2.18 4.25 -0.06 -1.96 0.05 -1.21 -4.42 118.68 113.14 2kki s LEU 110 Ca 0.37 0.36 -0.03 0.00 0.05 0.00 0.00 54.13 54.88 2kki s LEU 110 Cb 0.30 -2.05 0.04 0.00 -2.05 0.00 0.00 46.19 42.43 2kki s LEU 110 CO 0.03 0.33 0.12 -0.36 -0.55 0.00 0.00 176.35 175.92 2kki s PHE 111 N -0.54 -0.11 -0.46 3.48 0.08 -1.11 -3.72 117.98 115.59 2kki s PHE 111 Ca 0.12 0.46 -0.26 0.00 0.12 0.00 0.00 56.93 57.37 2kki s PHE 111 Cb -0.12 -0.25 0.03 0.00 -0.57 0.00 0.00 43.02 42.11 2kki s PHE 111 CO 0.02 -0.21 0.96 0.12 -0.10 0.00 0.00 175.22 176.01 2kki s PHE 112 N 1.82 2.91 -0.55 0.36 5.36 0.43 -0.96 117.98 127.35 2kki s PHE 112 Ca -0.01 0.44 -0.20 0.00 -0.96 0.00 0.00 56.93 56.19 2kki s PHE 112 Cb -0.12 -4.04 0.07 0.00 -0.34 0.00 0.00 43.02 38.59 2kki s PHE 112 CO -0.05 -1.12 0.74 -0.46 -1.46 0.00 0.00 175.22 172.87 2kki s TRP 113 N 3.86 2.94 -0.38 10.12 -0.00 -1.25 -1.35 118.94 132.88 2kki s TRP 113 Ca 0.39 -0.54 -0.09 0.00 -0.00 0.00 0.00 56.10 55.86 2kki s TRP 113 Cb -0.10 -3.83 0.05 0.00 -0.00 0.00 0.00 33.47 29.60 2kki s TRP 113 CO 0.27 -1.22 0.19 -2.00 -0.00 0.00 0.00 176.95 174.19 2kki s GLU 114 N 3.05 2.65 -0.23 5.86 2.12 -1.00 -4.98 118.70 126.18 2kki s GLU 114 Ca 0.18 -1.27 -0.11 0.00 0.36 0.00 0.00 54.97 54.13 2kki s GLU 114 Cb -0.19 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 2kki s GLU 114 CO 0.12 -0.79 0.17 -0.08 -0.54 0.00 0.00 175.26 174.14 2kki s THR 115 N 1.45 5.36 -0.34 -1.70 -1.32 -1.26 -1.38 115.64 116.44 2kki s THR 115 Ca 0.01 0.23 -0.00 0.00 -1.21 0.00 0.00 61.69 60.72 2kki s THR 115 Cb -0.21 -3.51 0.11 0.00 -1.51 0.00 0.00 72.50 67.38 2kki s THR 115 CO 0.03 0.36 0.13 -1.00 -2.21 0.00 0.00 174.62 171.94 2kki s HIS 116 N 0.91 1.71 0.00 9.09 3.76 -0.95 -5.03 115.29 124.78 2kki s HIS 116 Ca 0.09 -1.87 0.00 0.00 -0.15 0.00 0.00 55.06 53.12 2kki s HIS 116 Cb -0.13 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.85 2kki s HIS 116 CO 0.03 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.48 2kki n GLY 117 N 4.53 1.61 0.26 -2.22 0.00 -1.26 -3.47 105.19 104.64 2kki n GLY 117 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.75 2.61 -1.04 -1.26 -4.99 114.28 109.03 2kki n THR 118 Ca 0.00 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.05 61.36 2kki n THR 118 Cb 0.00 -1.62 0.04 0.00 -1.82 0.00 0.00 70.33 66.93 2kki n THR 118 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2kki s LYS 119 N -2.40 3.08 -0.05 -2.82 -2.85 -1.23 -4.00 119.74 109.48 2kki s LYS 119 Ca -0.29 0.74 -0.28 0.00 -1.00 0.00 0.00 55.97 55.13 2kki s LYS 119 Cb 0.10 -2.02 0.06 0.00 -2.06 0.00 0.00 37.83 33.91 2kki s LYS 119 CO 0.41 -0.94 0.62 1.21 0.10 0.00 0.00 175.35 176.75 2kki s ASN 120 N -4.07 -0.58 0.25 0.03 2.47 0.32 -2.24 114.94 111.12 2kki s ASN 120 Ca 0.57 0.62 0.09 0.00 0.42 0.00 0.00 52.86 54.56 2kki s ASN 120 Cb -0.12 0.52 -0.04 0.00 -1.45 0.00 0.00 41.25 40.15 2kki s ASN 120 CO 0.54 -0.58 0.04 -0.31 -3.72 0.00 0.00 177.10 173.07 2kki s TYR 121 N -1.19 2.80 -0.33 0.43 1.51 -0.48 -0.44 117.35 119.66 2kki s TYR 121 Ca -0.11 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 2kki s TYR 121 Cb -0.01 -1.26 0.10 0.00 -0.11 0.00 0.00 41.96 40.68 2kki s TYR 121 CO 0.09 0.58 0.10 -0.06 -1.11 0.00 0.00 175.55 175.15 2kki s PHE 122 N -2.19 2.28 0.02 2.71 0.08 -1.24 -2.38 117.98 117.26 2kki s PHE 122 Ca 0.31 -2.13 -0.20 0.00 0.12 0.00 0.00 56.93 55.03 2kki s PHE 122 Cb -0.07 -2.05 -0.06 0.00 -0.57 0.00 0.00 43.02 40.27 2kki s PHE 122 CO 0.21 -0.89 0.57 0.99 -0.10 0.00 0.00 175.22 176.00 2kki s THR 123 N 1.32 4.85 -0.03 0.64 2.01 -0.46 -0.90 115.64 123.07 2kki s THR 123 Ca 0.11 1.21 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 2kki s THR 123 Cb -0.18 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2kki s THR 123 CO -0.19 0.48 1.42 -0.44 -0.69 0.00 0.00 174.62 175.20 2kki s SER 124 N -0.58 6.84 0.51 3.53 0.01 0.19 0.16 113.70 124.36 2kki s SER 124 Ca 0.30 2.07 0.30 0.00 1.31 0.00 0.00 55.95 59.93 2kki s SER 124 Cb -0.19 -2.55 1.09 0.00 0.21 0.00 0.00 66.02 64.58 2kki s SER 124 CO 0.18 -0.75 1.88 0.58 0.41 0.00 0.00 173.24 175.54 2kki h VAL 125 N 5.08 0.07 -0.05 3.43 2.07 -1.89 -2.11 116.25 122.86 2kki h VAL 125 Ca -0.37 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 2kki h VAL 125 Cb 1.17 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2kki h VAL 125 CO 0.92 0.03 -0.17 0.00 0.02 0.00 0.00 177.57 178.37 2kki h ALA 126 N 1.97 0.09 -2.13 1.67 0.00 -1.88 -3.44 119.26 115.54 2kki h ALA 126 Ca -0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 2kki h ALA 126 Cb 0.65 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.13 2kki h ALA 126 CO 0.00 0.03 -0.47 -1.58 0.00 0.00 0.00 179.25 177.23 2kki s HIS 127 N -3.74 -0.75 0.37 0.00 5.65 -0.90 -5.05 115.29 110.87 2kki s HIS 127 Ca -0.15 0.93 0.21 0.00 0.25 0.00 0.00 55.06 56.29 2kki s HIS 127 Cb 0.03 0.04 1.33 0.00 -1.18 0.00 0.00 32.58 32.79 2kki s HIS 127 CO 0.73 -0.64 1.59 -1.35 -0.65 0.00 0.00 174.74 174.43 2kki h PRO 128 N 8.20 0.04 0.00 2.88 0.11 -1.70 -0.84 132.00 140.69 2kki h PRO 128 Ca -0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2kki h PRO 128 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2kki h PRO 128 CO 0.23 0.03 0.00 0.09 -0.21 0.00 0.00 178.00 178.14 2kki n ASN 129 N -5.21 0.00 -4.74 -2.05 4.13 -1.26 -3.90 115.26 102.23 2kki n ASN 129 Ca 0.37 0.25 -0.36 0.00 1.68 0.00 0.00 54.58 56.52 2kki n ASN 129 Cb 1.27 -0.35 -0.07 0.00 -1.54 0.00 0.00 39.78 39.08 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 -2.71 4.26 -0.15 3.41 1.43 -0.32 0.68 118.68 125.28 2kki s LEU 130 Ca 0.08 0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 53.52 2kki s LEU 130 Cb 0.07 -2.36 0.05 0.00 0.03 0.00 0.00 46.19 43.98 2kki s LEU 130 CO 0.17 0.13 0.48 0.12 0.23 0.00 0.00 176.35 177.48 2kki s PHE 131 N 0.31 -0.50 -0.69 0.29 2.19 -1.21 -0.64 117.98 117.73 2kki s PHE 131 Ca 0.16 1.17 -0.24 0.00 0.33 0.00 0.00 56.93 58.35 2kki s PHE 131 Cb -0.13 0.19 0.05 0.00 -1.31 0.00 0.00 43.02 41.83 2kki s PHE 131 CO 0.04 -0.30 1.09 0.42 1.83 0.00 0.00 175.22 178.29 2kki s ILE 132 N -0.06 4.09 0.21 3.12 1.01 -0.08 -2.88 121.20 126.62 2kki s ILE 132 Ca -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 2kki s ILE 132 Cb -0.03 -4.78 -0.05 0.00 0.01 0.00 0.00 42.46 37.61 2kki s ILE 132 CO 0.02 -1.61 0.44 0.00 0.00 0.00 0.00 174.94 173.78 2kki s ALA 133 N 4.71 3.75 -0.10 9.38 0.00 -1.07 -4.18 121.76 134.26 2kki s ALA 133 Ca 0.27 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2kki s ALA 133 Cb -0.13 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.87 2kki s ALA 133 CO 0.12 0.45 -0.10 0.99 0.00 0.00 0.00 175.76 177.22 2kki s THR 134 N -1.87 1.13 -0.01 0.00 2.01 0.40 -3.94 115.64 113.36 2kki s THR 134 Ca 0.41 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2kki s THR 134 Cb -0.11 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2kki s THR 134 CO 0.28 0.37 0.02 -0.54 -0.69 0.00 0.00 174.62 174.06 2kki s LYS 135 N 1.23 2.87 0.24 4.92 1.02 -1.26 -3.00 119.74 125.75 2kki s LYS 135 Ca -0.04 -0.56 0.18 0.00 0.02 0.00 0.00 55.97 55.58 2kki s LYS 135 Cb -0.14 -2.73 0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2kki s LYS 135 CO -0.03 0.64 1.25 -0.56 -0.92 0.00 0.00 175.35 175.73 2kki h GLN 136 N 4.39 0.00 0.00 1.68 3.07 -1.93 -3.24 115.11 119.08 2kki h GLN 136 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 2kki h GLN 136 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 2kki h GLN 136 CO 0.58 0.28 -0.89 -0.25 0.09 0.00 0.00 178.83 178.64 2kki n ASP 137 N -3.03 4.21 -4.09 0.06 8.00 -1.26 -4.68 116.55 115.76 2kki n ASP 137 Ca -0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.33 2kki n ASP 137 Cb 0.70 0.33 0.07 0.00 -0.02 0.00 0.00 41.12 42.19 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 -1.98 -2.73 -1.75 1.24 4.01 -1.26 -5.00 117.16 109.68 2kki n TYR 138 Ca 0.00 -1.48 -0.32 0.00 -0.16 0.00 0.00 57.90 55.94 2kki n TYR 138 Cb 0.44 -0.48 0.04 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.98 2.75 -0.47 -0.72 0.51 -1.26 -4.33 118.94 113.44 2kki s TRP 139 Ca 0.48 1.53 -0.28 0.00 -2.12 0.00 0.00 56.10 55.71 2kki s TRP 139 Cb -0.03 -3.09 -0.01 0.00 -0.81 0.00 0.00 33.47 29.53 2kki s TRP 139 CO 0.31 -1.52 1.68 0.08 -0.51 0.00 0.00 176.95 176.99 2kki s VAL 140 N -2.50 3.57 0.00 4.03 1.01 0.48 -4.39 120.40 122.60 2kki s VAL 140 Ca 0.65 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2kki s VAL 140 Cb -0.18 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2kki s VAL 140 CO 0.43 -0.77 0.00 0.00 0.00 0.00 0.00 175.10 174.77 2kki s LEU 142 N 0.00 2.29 -0.12 0.00 2.96 -1.23 -2.58 118.68 120.00 2kki s LEU 142 Ca 0.00 -0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 2kki s LEU 142 Cb 0.00 0.04 0.12 0.00 0.50 0.00 0.00 46.19 46.85 2kki s LEU 142 CO 0.00 -0.33 1.00 0.00 -1.32 0.00 0.00 176.35 175.70 2kki s ALA 143 N -1.91 -1.92 -0.41 5.97 0.00 -1.14 -1.76 121.76 120.60 2kki s ALA 143 Ca -0.10 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.29 2kki s ALA 143 Cb -0.07 -0.28 0.52 0.00 0.00 0.00 0.00 23.12 23.29 2kki s ALA 143 CO -0.02 -0.47 1.81 0.41 0.00 0.00 0.00 175.76 177.49 2kki n GLY 144 N 0.29 4.30 0.00 0.00 0.00 0.21 -3.35 105.19 106.64 2kki n GLY 144 Ca -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.80 1.90 0.00 -0.02 0.00 -1.26 -4.87 105.19 100.14 2kki n GLY 145 Ca 0.50 -0.69 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 -3.93 135.00 131.40 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 -2.37 0.52 -0.02 -1.26 -4.87 135.00 127.00 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 7.03 -0.80 2.55 0.01 -1.25 -4.92 113.70 116.31 2kki s SER 148 Ca 0.00 2.10 -0.23 0.00 1.31 0.00 0.00 55.95 59.13 2kki s SER 148 Cb 0.00 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.71 2kki s SER 148 CO 0.00 -0.50 1.17 -0.63 0.41 0.00 0.00 173.24 173.69 2kki s ILE 149 N 0.97 4.16 -0.29 1.44 1.09 -1.16 -4.79 121.20 122.62 2kki s ILE 149 Ca 0.59 -0.45 -0.00 0.00 -1.10 0.00 0.00 60.65 59.69 2kki s ILE 149 Cb -0.31 -4.83 0.23 0.00 -1.06 0.00 0.00 42.46 36.49 2kki s ILE 149 CO 0.30 -1.66 1.89 0.35 -0.10 0.00 0.00 174.94 175.71 2kki n THR 150 N 6.15 2.61 -3.68 2.92 -2.24 -1.26 0.15 114.28 118.93 2kki n THR 150 Ca 0.10 -1.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.05 2kki n THR 150 Cb 0.48 -1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 67.45 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 0.14 6.57 0.18 3.42 1.01 -1.26 -4.12 116.67 122.62 2kki s ASP 151 Ca 0.30 0.68 -0.01 0.00 0.71 0.00 0.00 52.55 54.22 2kki s ASP 151 Cb 0.24 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 2kki s ASP 151 CO 0.01 0.25 0.11 0.72 0.21 0.00 0.00 175.17 176.46 2kki s PHE 152 N -1.28 1.10 -0.19 4.23 -0.71 0.42 -3.65 117.98 117.90 2kki s PHE 152 Ca 0.28 -1.32 -0.28 0.00 -1.04 0.00 0.00 56.93 54.57 2kki s PHE 152 Cb -0.14 -0.56 0.09 0.00 -1.21 0.00 0.00 43.02 41.21 2kki s PHE 152 CO 0.15 -0.58 0.83 1.14 -1.34 0.00 0.00 175.22 175.42 2kki s GLN 153 N -4.12 0.78 -0.37 1.99 -2.07 0.27 0.12 119.66 116.26 2kki s GLN 153 Ca 0.35 0.53 -0.19 0.00 -1.82 0.00 0.00 55.36 54.23 2kki s GLN 153 Cb 0.07 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.37 2kki s GLN 153 CO 0.09 -0.17 0.57 0.42 -1.32 0.00 0.00 175.29 174.88 2kki s ILE 154 N -0.40 4.94 -0.24 3.63 -1.09 -1.26 -2.68 121.20 124.12 2kki s ILE 154 Ca -0.03 0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.69 2kki s ILE 154 Cb -0.03 -4.05 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 2kki s ILE 154 CO 0.02 -0.32 0.02 -0.76 -1.23 0.00 0.00 174.94 172.67 2kki s LEU 155 N 2.56 3.20 0.44 2.97 1.43 -0.41 -4.93 118.68 123.95 2kki s LEU 155 Ca 0.21 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2kki s LEU 155 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 2kki s LEU 155 CO 0.15 -0.03 0.80 -0.70 0.23 0.00 0.00 176.35 176.80 2kki s GLU 156 N 1.55 3.71 0.61 1.70 2.12 -1.26 -0.86 118.70 126.27 2kki s GLU 156 Ca 0.06 0.43 -0.04 0.00 0.36 0.00 0.00 54.97 55.78 2kki s GLU 156 Cb -0.15 -2.36 0.03 0.00 0.26 0.00 0.00 34.13 31.92 2kki s GLU 156 CO 0.00 -0.13 0.90 0.54 -0.54 0.00 0.00 175.26 176.04 2kki s ASN 157 N -3.49 5.24 -0.08 -1.70 4.22 -1.26 -4.63 114.94 113.25 2kki s ASN 157 Ca 0.51 0.42 -0.19 0.00 -2.14 0.00 0.00 52.86 51.46 2kki s ASN 157 Cb -0.10 -1.28 -0.15 0.00 1.28 0.00 0.00 41.25 40.99 2kki s ASN 157 CO 0.37 -1.26 0.69 -0.61 -2.04 0.00 0.00 177.10 174.25 2kki h GLN 158 N -0.24 -0.13 0.00 3.55 5.75 -1.90 -3.47 115.11 118.67 2kki h GLN 158 Ca -0.44 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 2kki h GLN 158 Cb 1.29 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.87 2kki h GLN 158 CO 0.58 0.33 0.00 0.00 -2.65 0.00 0.00 178.83 177.10