#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 4.67 -0.02 2.41 1.01 -1.26 -4.98 120.40 122.23 2kki s VAL 10 Ca 0.00 2.03 -0.03 0.00 0.00 0.00 0.00 61.98 63.98 2kki s VAL 10 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2kki s VAL 10 CO 0.00 0.26 0.16 -0.54 0.00 0.00 0.00 175.10 174.98 2kki s LYS 11 N 0.41 3.39 -0.48 2.72 1.02 -1.26 -4.69 119.74 120.84 2kki s LYS 11 Ca 0.48 -0.32 -0.16 0.00 0.02 0.00 0.00 55.97 55.99 2kki s LYS 11 Cb -0.22 -3.07 0.08 0.00 -0.52 0.00 0.00 37.83 34.09 2kki s LYS 11 CO 0.28 0.68 0.42 0.71 -0.92 0.00 0.00 175.35 176.53 2kki s TYR 12 N -1.27 3.24 -0.10 3.18 2.02 -1.03 -4.37 117.35 119.01 2kki s TYR 12 Ca 0.25 -0.96 0.01 0.00 -0.37 0.00 0.00 57.07 56.00 2kki s TYR 12 Cb -0.12 -3.28 -0.02 0.00 -0.40 0.00 0.00 41.96 38.14 2kki s TYR 12 CO 0.16 -0.84 -0.12 1.21 -1.57 0.00 0.00 175.55 174.39 2kki s ASN 13 N 2.75 4.11 -0.16 2.29 3.84 -1.18 -3.83 114.94 122.76 2kki s ASN 13 Ca 0.04 -0.25 -0.22 0.00 0.21 0.00 0.00 52.86 52.64 2kki s ASN 13 Cb -0.25 -1.32 -0.02 0.00 -0.55 0.00 0.00 41.25 39.11 2kki s ASN 13 CO 0.06 0.24 0.69 0.72 -2.79 0.00 0.00 177.10 176.03 2kki s PHE 14 N -0.12 3.43 -0.01 0.43 -0.71 0.19 -3.68 117.98 117.51 2kki s PHE 14 Ca -0.01 1.08 -0.01 0.00 -1.04 0.00 0.00 56.93 56.94 2kki s PHE 14 Cb -0.14 -2.85 -0.00 0.00 -1.21 0.00 0.00 43.02 38.82 2kki s PHE 14 CO 0.03 -0.13 -0.03 -0.12 -1.34 0.00 0.00 175.22 173.63 2kki n MET 15 N 4.82 0.04 -3.59 1.99 1.56 -1.14 -4.85 117.12 115.95 2kki n MET 15 Ca 0.00 0.02 -0.10 0.00 -0.27 0.00 0.00 57.70 57.35 2kki n MET 15 Cb 0.50 -0.48 -0.05 0.00 2.15 0.00 0.00 33.22 35.33 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 -1.16 0.53 -0.35 2.12 1.04 -1.19 -5.02 118.95 114.93 2kki s ARG 16 Ca -0.02 0.22 -0.28 0.00 -1.04 0.00 0.00 55.73 54.61 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 0.03 -0.15 1.05 0.96 -0.04 0.00 0.00 175.30 177.16 2kki s ILE 17 N -0.81 4.49 0.00 4.99 -0.00 -1.26 -1.28 121.20 127.33 2kki s ILE 17 Ca 0.00 1.57 0.00 0.00 -0.00 0.00 0.00 60.65 62.22 2kki s ILE 17 Cb -0.01 -4.42 0.00 0.00 -0.00 0.00 0.00 42.46 38.03 2kki s ILE 17 CO -0.01 -0.55 0.00 -0.38 -0.00 0.00 0.00 174.94 174.00 2kki n ILE 18 N 6.00 0.00 -3.96 8.37 5.41 -1.10 -4.96 119.36 129.12 2kki n ILE 18 Ca 0.11 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.65 2kki n ILE 18 Cb 0.48 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.37 2kki n ILE 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2kki s LYS 19 N 2.01 2.86 0.12 0.38 3.01 -1.03 -4.92 119.74 122.16 2kki s LYS 19 Ca 0.00 -1.15 -0.14 0.00 -1.01 0.00 0.00 55.97 53.67 2kki s LYS 19 Cb 0.00 -2.54 0.03 0.00 -1.01 0.00 0.00 37.83 34.30 2kki s LYS 19 CO 0.00 0.26 0.34 1.52 0.51 0.00 0.00 175.35 177.99 2kki s TYR 20 N -2.20 -0.11 -1.42 3.18 -0.85 -1.26 0.08 117.35 114.76 2kki s TYR 20 Ca 0.37 -0.24 -0.08 0.00 -0.52 0.00 0.00 57.07 56.60 2kki s TYR 20 Cb -0.07 0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.45 2kki s TYR 20 CO 0.26 -0.66 1.02 0.39 -1.52 0.00 0.00 175.55 175.04 2kki n GLU 21 N -0.18 -7.12 -4.04 -3.49 1.02 -0.95 -4.95 120.64 100.93 2kki n GLU 21 Ca -0.16 0.86 -0.22 0.00 -0.02 0.00 0.00 57.16 57.62 2kki n GLU 21 Cb 0.63 -5.86 -0.04 0.00 -0.02 0.00 0.00 31.44 26.16 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 -3.28 3.14 -0.18 -0.32 0.08 -1.13 -4.92 117.98 111.36 2kki s PHE 22 Ca 0.51 -0.12 -0.13 0.00 0.12 0.00 0.00 56.93 57.31 2kki s PHE 22 Cb -0.22 -1.49 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 2kki s PHE 22 CO 0.63 0.46 0.26 0.42 -0.10 0.00 0.00 175.22 176.89 2kki s ILE 23 N -2.13 5.32 -0.29 0.64 -1.09 -0.24 -2.25 121.20 121.16 2kki s ILE 23 Ca 0.34 0.46 -0.12 0.00 -2.23 0.00 0.00 60.65 59.10 2kki s ILE 23 Cb -0.08 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2kki s ILE 23 CO 0.26 0.37 0.23 -0.22 -1.23 0.00 0.00 174.94 174.35 2kki s LEU 24 N 0.63 4.10 0.01 2.97 2.96 -1.26 -0.64 118.68 127.46 2kki s LEU 24 Ca 0.14 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 2kki s LEU 24 Cb -0.13 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 2kki s LEU 24 CO 0.03 -0.10 -0.06 0.21 -1.32 0.00 0.00 176.35 175.11 2kki s ASN 25 N 1.74 0.64 0.71 3.68 2.47 -1.13 -0.62 114.94 122.43 2kki s ASN 25 Ca 0.08 -0.25 -0.02 0.00 0.42 0.00 0.00 52.86 53.09 2kki s ASN 25 Cb -0.16 -0.02 0.12 0.00 -1.45 0.00 0.00 41.25 39.74 2kki s ASN 25 CO 0.11 -0.04 0.84 -0.90 -3.72 0.00 0.00 177.10 173.38 2kki n ASP 26 N 2.42 0.96 0.26 -4.21 5.75 -1.25 0.17 116.55 120.65 2kki n ASP 26 Ca -0.16 -1.85 0.17 0.00 -0.01 0.00 0.00 54.79 52.94 2kki n ASP 26 Cb 0.57 -0.56 0.69 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.74 1.00 0.00 2.12 0.00 -1.85 0.24 119.26 120.03 2kki h ALA 27 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kki h ALA 27 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2kki h ALA 27 CO 0.28 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.46 2kki h LEU 28 N 0.00 0.00 -2.78 0.00 3.38 -1.91 -3.48 115.31 110.52 2kki h LEU 28 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2kki h LEU 28 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kki h LEU 28 CO 0.00 0.00 -0.45 0.59 0.09 0.00 0.00 178.44 178.67 2kki n ASN 29 N -2.93 -6.94 -3.66 -0.43 3.02 0.85 -5.01 115.26 100.16 2kki n ASN 29 Ca 0.01 -0.19 -0.25 0.00 -0.03 0.00 0.00 54.58 54.12 2kki n ASN 29 Cb 0.33 -4.16 -0.17 0.00 -0.61 0.00 0.00 39.78 35.17 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 -3.36 0.21 0.03 3.52 -0.21 -1.26 -4.03 119.66 114.57 2kki s GLN 30 Ca 0.07 -0.07 -0.30 0.00 0.02 0.00 0.00 55.36 55.08 2kki s GLN 30 Cb -0.02 -1.63 -0.07 0.00 1.00 0.00 0.00 33.01 32.29 2kki s GLN 30 CO 0.80 -0.59 1.61 -1.54 -2.12 0.00 0.00 175.29 173.45 2kki s SER 31 N 2.07 6.66 -0.53 5.90 1.04 0.74 -3.69 113.70 125.88 2kki s SER 31 Ca 0.02 2.37 -0.28 0.00 0.48 0.00 0.00 55.95 58.54 2kki s SER 31 Cb -0.15 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2kki s SER 31 CO -0.08 -0.86 1.55 0.27 0.98 0.00 0.00 173.24 175.10 2kki s ILE 32 N 2.85 3.67 0.04 -1.02 -4.36 0.21 -0.98 121.20 121.60 2kki s ILE 32 Ca 0.72 0.57 -0.02 0.00 -0.26 0.00 0.00 60.65 61.66 2kki s ILE 32 Cb -0.37 -4.23 -0.04 0.00 1.25 0.00 0.00 42.46 39.07 2kki s ILE 32 CO 0.31 -1.01 0.22 -0.63 0.24 0.00 0.00 174.94 174.07 2kki s ILE 33 N 6.70 5.38 -0.39 8.37 1.01 -0.25 -3.64 121.20 138.38 2kki s ILE 33 Ca 0.59 -0.23 -0.26 0.00 0.00 0.00 0.00 60.65 60.75 2kki s ILE 33 Cb -0.13 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.77 2kki s ILE 33 CO 0.26 0.22 0.93 -0.60 0.00 0.00 0.00 174.94 175.75 2kki s ARG 34 N -2.25 3.78 -0.10 2.79 3.00 -1.26 -1.60 118.95 123.31 2kki s ARG 34 Ca 0.32 0.50 0.04 0.00 -1.00 0.00 0.00 55.73 55.59 2kki s ARG 34 Cb -0.13 -3.83 -0.24 0.00 0.00 0.00 0.00 34.95 30.75 2kki s ARG 34 CO 0.23 -1.02 0.46 0.00 0.00 0.00 0.00 175.30 174.97 2kki n ALA 35 N 6.89 1.22 -2.37 6.12 0.00 -1.24 -4.95 120.51 126.18 2kki n ALA 35 Ca 0.07 -0.74 -0.08 0.00 0.00 0.00 0.00 53.44 52.69 2kki n ALA 35 Cb 0.48 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 19.14 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 -6.49 0.31 0.00 0.00 3.84 -1.00 -5.04 114.94 106.55 2kki s ASN 36 Ca -0.14 -0.79 0.24 0.00 0.21 0.00 0.00 52.86 52.37 2kki s ASN 36 Cb 0.07 0.25 1.41 0.00 -0.55 0.00 0.00 41.25 42.43 2kki s ASN 36 CO 0.79 -0.62 1.78 0.47 -2.79 0.00 0.00 177.10 176.72 2kki n ASP 37 N 0.19 0.00 0.00 -4.21 8.00 -1.26 -3.07 116.55 116.20 2kki n ASP 37 Ca -0.15 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.59 2kki n ASP 37 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 2kki n ASP 37 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2kki n GLN 38 N -0.99 3.60 -4.81 -1.24 7.27 -1.26 -4.67 117.38 115.28 2kki n GLN 38 Ca 0.18 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 57.00 2kki n GLN 38 Cb 0.08 -1.00 -0.16 0.00 2.41 0.00 0.00 30.24 31.58 2kki n GLN 38 CO 0.00 0.00 0.00 1.52 0.07 0.00 0.00 177.06 178.65 2kki s TYR 39 N -1.99 1.59 -0.08 3.69 -0.85 -1.17 -3.78 117.35 114.76 2kki s TYR 39 Ca 0.00 -0.38 0.04 0.00 -0.52 0.00 0.00 57.07 56.20 2kki s TYR 39 Cb 0.00 -1.05 0.00 0.00 0.38 0.00 0.00 41.96 41.29 2kki s TYR 39 CO 0.00 -0.10 -0.20 -1.17 -1.52 0.00 0.00 175.55 172.57 2kki s LEU 40 N -0.17 1.94 -0.04 -3.49 0.20 -1.26 -2.38 118.68 113.47 2kki s LEU 40 Ca 0.01 -0.46 0.06 0.00 0.69 0.00 0.00 54.13 54.43 2kki s LEU 40 Cb -0.09 -1.19 -0.02 0.00 -0.43 0.00 0.00 46.19 44.46 2kki s LEU 40 CO 0.01 0.13 -0.23 -0.89 -0.29 0.00 0.00 176.35 175.07 2kki s THR 41 N 0.39 2.29 0.09 3.68 2.01 -0.63 -1.16 115.64 122.31 2kki s THR 41 Ca -0.15 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 60.64 2kki s THR 41 Cb -0.17 -1.84 -0.07 0.00 0.01 0.00 0.00 72.50 70.44 2kki s THR 41 CO 0.06 0.58 0.61 0.00 -0.69 0.00 0.00 174.62 175.18 2kki s ALA 42 N -0.42 3.56 -0.13 7.40 0.00 -1.26 -1.09 121.76 129.82 2kki s ALA 42 Ca 0.04 0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 2kki s ALA 42 Cb -0.12 -2.69 0.05 0.00 0.00 0.00 0.00 23.12 20.36 2kki s ALA 42 CO 0.01 0.38 0.32 0.00 0.00 0.00 0.00 175.76 176.47 2kki s ALA 43 N -1.13 -0.77 0.03 0.00 0.00 -0.15 -4.62 121.76 115.12 2kki s ALA 43 Ca 0.30 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.15 2kki s ALA 43 Cb -0.20 -0.73 -0.09 0.00 0.00 0.00 0.00 23.12 22.11 2kki s ALA 43 CO 0.20 -0.22 1.94 0.00 0.00 0.00 0.00 175.76 177.68 2kki s ALA 44 N 1.17 3.59 0.54 0.00 0.00 -1.26 -0.19 121.76 125.61 2kki s ALA 44 Ca -0.08 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 53.04 2kki s ALA 44 Cb -0.09 -3.84 -0.06 0.00 0.00 0.00 0.00 23.12 19.14 2kki s ALA 44 CO -0.09 -1.55 0.97 -0.51 0.00 0.00 0.00 175.76 174.58 2kki s LEU 45 N 4.37 3.51 0.00 0.00 2.01 -1.26 -4.82 118.68 122.49 2kki s LEU 45 Ca 0.87 1.45 0.00 0.00 0.01 0.00 0.00 54.13 56.46 2kki s LEU 45 Cb -0.42 -4.42 0.00 0.00 0.01 0.00 0.00 46.19 41.36 2kki s LEU 45 CO 0.40 -0.66 0.00 1.57 1.01 0.00 0.00 176.35 178.67 2kki n HIS 46 N -1.97 0.00 1.41 0.29 -0.00 -1.26 -4.60 115.22 109.09 2kki n HIS 46 Ca 0.06 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.92 2kki n HIS 46 Cb 0.54 0.00 0.55 0.00 -0.00 0.00 0.00 29.99 31.08 2kki n HIS 46 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2kki n ASN 47 N -0.33 0.76 0.00 0.26 4.13 -1.26 -4.91 115.26 113.91 2kki n ASN 47 Ca 0.00 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.43 2kki n ASN 47 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2kki n ASN 47 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kki n LEU 48 N -0.69 0.00 -4.50 3.41 4.77 -1.26 -3.29 117.00 115.44 2kki n LEU 48 Ca 0.15 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 2kki n LEU 48 Cb 0.30 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2kki n LEU 48 CO 0.23 0.00 1.38 -0.62 -1.33 0.00 0.00 177.39 177.04 2kki s ASP 49 N 0.00 6.75 0.00 -1.43 2.15 -1.26 -4.03 116.67 118.85 2kki s ASP 49 Ca 0.00 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 50.75 2kki s ASP 49 Cb 0.00 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2kki s ASP 49 CO 0.00 -1.10 0.00 1.21 -0.17 0.00 0.00 175.17 175.11 2kki n GLU 50 N 7.17 1.64 -1.73 4.34 4.07 -1.26 -5.06 120.64 129.80 2kki n GLU 50 Ca 0.34 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.13 2kki n GLU 50 Cb 0.47 -0.29 0.05 0.00 -0.06 0.00 0.00 31.44 31.61 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 -0.53 2.75 0.21 4.31 0.00 -1.26 -4.99 121.76 122.25 2kki s ALA 51 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 2kki s ALA 51 Cb 0.00 -3.09 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 2kki s ALA 51 CO 0.00 -1.18 1.25 0.14 0.00 0.00 0.00 175.76 175.97 2kki s VAL 52 N -3.19 3.34 -0.18 0.00 -7.23 -1.24 -4.90 120.40 107.00 2kki s VAL 52 Ca 0.58 1.14 -0.16 0.00 -1.81 0.00 0.00 61.98 61.73 2kki s VAL 52 Cb -0.12 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.05 2kki s VAL 52 CO 0.54 0.19 0.39 -0.54 -0.31 0.00 0.00 175.10 175.37 2kki s LYS 53 N -0.38 4.23 0.27 4.82 1.02 -1.26 -4.31 119.74 124.13 2kki s LYS 53 Ca 0.54 0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.82 2kki s LYS 53 Cb -0.35 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 2kki s LYS 53 CO 0.39 0.06 0.34 -0.06 -0.92 0.00 0.00 175.35 175.16 2kki s PHE 54 N 1.00 3.24 -0.03 3.18 0.40 -0.95 -0.48 117.98 124.33 2kki s PHE 54 Ca 0.20 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 2kki s PHE 54 Cb -0.14 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 41.75 2kki s PHE 54 CO 0.08 0.33 -0.01 -0.51 0.70 0.00 0.00 175.22 175.81 2kki s ASP 55 N -4.00 0.44 -0.16 1.36 1.01 0.71 -2.23 116.67 113.80 2kki s ASP 55 Ca 0.37 -0.04 -0.06 0.00 0.71 0.00 0.00 52.55 53.53 2kki s ASP 55 Cb -0.09 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.59 2kki s ASP 55 CO 0.28 -0.08 0.06 -0.04 0.21 0.00 0.00 175.17 175.61 2kki s MET 56 N 0.87 3.74 -0.02 8.23 -1.94 0.11 -2.53 119.30 127.76 2kki s MET 56 Ca -0.09 -0.32 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 2kki s MET 56 Cb -0.12 -3.14 0.03 0.00 2.01 0.00 0.00 34.83 33.60 2kki s MET 56 CO -0.01 0.42 0.02 0.20 -0.01 0.00 0.00 175.02 175.64 2kki s GLY 57 N -0.05 0.13 0.25 -0.03 0.00 -1.16 -2.48 107.32 103.98 2kki s GLY 57 Ca 0.07 0.28 -0.20 0.00 0.00 0.00 0.00 44.72 44.86 2kki s GLY 57 CO 0.01 0.69 0.76 0.00 0.00 0.00 0.00 173.10 174.56 2kki s ALA 58 N 1.09 3.37 0.13 3.20 0.00 -0.40 0.09 121.76 129.24 2kki s ALA 58 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2kki s ALA 58 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2kki s ALA 58 CO -0.03 0.30 0.01 1.52 0.00 0.00 0.00 175.76 177.57 2kki s TYR 59 N -1.60 0.94 -0.03 0.00 -0.85 -0.81 -2.90 117.35 112.11 2kki s TYR 59 Ca 0.46 -1.10 0.01 0.00 -0.52 0.00 0.00 57.07 55.92 2kki s TYR 59 Cb -0.16 -0.55 0.02 0.00 0.38 0.00 0.00 41.96 41.65 2kki s TYR 59 CO 0.21 -0.35 -0.04 0.21 -1.52 0.00 0.00 175.55 174.06 2kki s LYS 60 N -3.96 0.65 0.09 -3.49 2.20 -1.25 -4.17 119.74 109.81 2kki s LYS 60 Ca 0.20 -0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 2kki s LYS 60 Cb 0.07 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.68 2kki s LYS 60 CO 0.00 -0.03 -0.10 0.45 -0.36 0.00 0.00 175.35 175.31 2kki s SER 61 N 0.62 1.43 -0.35 1.43 0.15 -1.26 -3.07 113.70 112.65 2kki s SER 61 Ca -0.08 -0.80 -0.02 0.00 0.70 0.00 0.00 55.95 55.76 2kki s SER 61 Cb -0.11 0.01 0.17 0.00 -1.71 0.00 0.00 66.02 64.38 2kki s SER 61 CO -0.00 -0.26 2.23 -1.20 1.20 0.00 0.00 173.24 175.22 2kki n SER 62 N 0.61 6.46 -1.39 5.45 7.64 -1.26 -3.83 113.62 127.30 2kki n SER 62 Ca -0.16 -3.09 -0.02 0.00 1.01 0.00 0.00 58.87 56.60 2kki n SER 62 Cb 0.57 -1.11 0.11 0.00 -1.01 0.00 0.00 64.21 62.77 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 0.51 1.78 0.00 1.43 4.76 -1.26 -5.05 118.16 120.33 2kki n LYS 63 Ca 0.35 -3.28 0.00 0.00 -2.87 0.00 0.00 58.31 52.51 2kki n LYS 63 Cb 0.58 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 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 -0.63 0.00 0.00 4.39 8.00 -1.25 -4.89 116.55 122.17 2kki n ASP 64 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2kki n ASP 64 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 -0.31 -2.24 2.03 -1.24 -4.81 116.55 109.97 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 -1.76 2.09 -3.09 -1.67 0.00 -1.26 -5.09 120.51 109.73 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 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 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 0.35 0.11 0.00 -2.85 -1.26 -5.15 119.74 109.75 2kki s LYS 67 Ca 0.13 -0.02 0.03 0.00 -1.00 0.00 0.00 55.97 55.11 2kki s LYS 67 Cb 0.11 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 2kki s LYS 67 CO 0.01 -0.07 0.16 0.96 0.10 0.00 0.00 175.35 176.51 2kki s ILE 68 N -0.57 4.83 -0.11 3.79 -5.25 -1.26 -4.75 121.20 117.88 2kki s ILE 68 Ca -0.07 -0.77 -0.02 0.00 -0.99 0.00 0.00 60.65 58.81 2kki s ILE 68 Cb -0.04 -3.40 -0.03 0.00 2.95 0.00 0.00 42.46 41.94 2kki s ILE 68 CO 0.01 0.02 -0.02 0.28 -1.79 0.00 0.00 174.94 173.44 2kki s THR 69 N -1.58 4.11 0.33 8.37 -1.32 -1.25 -3.75 115.64 120.55 2kki s THR 69 Ca 0.32 -0.31 0.10 0.00 -1.21 0.00 0.00 61.69 60.59 2kki s THR 69 Cb -0.12 -2.75 -0.06 0.00 -1.51 0.00 0.00 72.50 68.07 2kki s THR 69 CO 0.25 0.56 -0.09 0.68 -2.21 0.00 0.00 174.62 173.80 2kki s VAL 70 N -0.43 2.34 -0.20 5.08 -7.23 -0.11 -1.92 120.40 117.94 2kki s VAL 70 Ca 0.07 -2.20 -0.08 0.00 -1.81 0.00 0.00 61.98 57.96 2kki s VAL 70 Cb -0.12 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2kki s VAL 70 CO 0.02 -0.23 0.09 -0.63 -0.31 0.00 0.00 175.10 174.04 2kki s ILE 71 N -2.58 4.95 -0.30 -0.62 1.01 0.11 -2.69 121.20 121.08 2kki s ILE 71 Ca 0.32 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.92 2kki s ILE 71 Cb 0.01 -3.25 0.01 0.00 0.01 0.00 0.00 42.46 39.23 2kki s ILE 71 CO 0.17 0.43 0.11 -0.22 0.00 0.00 0.00 174.94 175.43 2kki s LEU 72 N 0.57 3.98 0.02 2.97 2.96 -1.26 -2.98 118.68 124.93 2kki s LEU 72 Ca 0.05 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 2kki s LEU 72 Cb -0.13 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 2kki s LEU 72 CO 0.01 -0.20 -0.06 0.00 -1.32 0.00 0.00 176.35 174.77 2kki s ARG 73 N 1.53 0.43 -0.16 1.98 1.70 -1.05 -3.22 118.95 120.16 2kki s ARG 73 Ca 0.03 -0.50 -0.26 0.00 -0.47 0.00 0.00 55.73 54.54 2kki s ARG 73 Cb -0.17 -0.26 -0.02 0.00 -0.57 0.00 0.00 34.95 33.93 2kki s ARG 73 CO 0.04 0.06 0.84 -1.50 -1.08 0.00 0.00 175.30 173.65 2kki s ILE 74 N -0.87 4.88 0.60 4.99 2.07 -1.24 -0.21 121.20 131.42 2kki s ILE 74 Ca -0.06 1.66 0.28 0.00 -1.41 0.00 0.00 60.65 61.12 2kki s ILE 74 Cb -0.07 -4.15 0.36 0.00 0.13 0.00 0.00 42.46 38.74 2kki s ILE 74 CO 0.00 0.03 1.77 0.28 -1.91 0.00 0.00 174.94 175.11 2kki h SER 75 N 7.29 0.00 0.00 4.50 0.02 -1.11 -3.12 113.55 121.13 2kki h SER 75 Ca -0.30 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2kki h SER 75 Cb 1.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2kki h SER 75 CO 0.83 0.00 -0.22 0.11 -1.14 0.00 0.00 176.83 176.41 2kki h LYS 76 N 0.00 0.00 -5.90 3.45 1.79 -1.92 -3.48 116.57 110.51 2kki h LYS 76 Ca 0.23 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.14 2kki h LYS 76 Cb 1.45 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 32.02 2kki h LYS 76 CO -0.00 0.27 -0.47 0.95 -1.08 0.00 0.00 179.45 179.12 2kki s THR 77 N -1.90 2.25 -1.06 -0.16 -4.23 -1.18 -5.04 115.64 104.32 2kki s THR 77 Ca -0.09 -1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 2kki s THR 77 Cb 0.00 -2.90 0.31 0.00 1.34 0.00 0.00 72.50 71.25 2kki s THR 77 CO 0.23 0.00 1.50 0.00 -0.54 0.00 0.00 174.62 175.81 2kki n GLN 78 N -1.32 4.53 -3.56 3.99 6.02 -1.26 -4.35 117.38 121.43 2kki n GLN 78 Ca -0.01 -4.58 -0.40 0.00 -0.01 0.00 0.00 57.00 52.00 2kki n GLN 78 Cb 0.64 -2.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.30 2kki n GLN 78 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2kki s LEU 79 N -2.99 4.49 0.00 1.08 2.01 -1.26 -3.39 118.68 118.62 2kki s LEU 79 Ca 0.32 -0.56 -0.00 0.00 0.01 0.00 0.00 54.13 53.90 2kki s LEU 79 Cb 0.07 -2.09 -0.04 0.00 0.01 0.00 0.00 46.19 44.14 2kki s LEU 79 CO 0.08 -0.26 0.08 -0.31 1.01 0.00 0.00 176.35 176.94 2kki s TYR 80 N 1.67 3.28 -0.27 0.29 1.51 0.21 -3.73 117.35 120.32 2kki s TYR 80 Ca 0.05 0.20 -0.27 0.00 -1.01 0.00 0.00 57.07 56.04 2kki s TYR 80 Cb -0.18 -1.73 0.01 0.00 -0.11 0.00 0.00 41.96 39.95 2kki s TYR 80 CO 0.09 0.55 0.93 0.08 -1.11 0.00 0.00 175.55 176.09 2kki s VAL 81 N -1.21 4.71 0.01 0.71 1.01 -1.20 -0.25 120.40 124.19 2kki s VAL 81 Ca 0.23 1.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.81 2kki s VAL 81 Cb -0.12 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2kki s VAL 81 CO 0.14 -0.22 0.28 0.28 0.00 0.00 0.00 175.10 175.58 2kki s THR 82 N 3.14 5.29 -0.27 3.92 -1.32 -0.69 -3.18 115.64 122.53 2kki s THR 82 Ca 0.39 0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 60.94 2kki s THR 82 Cb -0.14 -3.57 -0.05 0.00 -1.51 0.00 0.00 72.50 67.23 2kki s THR 82 CO 0.10 0.36 0.17 0.00 -2.21 0.00 0.00 174.62 173.03 2kki s ALA 83 N -1.31 3.52 0.00 11.08 0.00 -0.70 -3.09 121.76 131.25 2kki s ALA 83 Ca 0.28 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2kki s ALA 83 Cb -0.13 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.59 2kki s ALA 83 CO 0.16 -0.45 0.00 0.94 0.00 0.00 0.00 175.76 176.41 2kki n GLN 84 N 4.85 0.00 -3.46 0.00 -0.06 -1.26 -4.99 117.38 112.46 2kki n GLN 84 Ca -0.14 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.67 2kki n GLN 84 Cb 0.52 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.58 2kki n GLN 84 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2kki s ASP 85 N -1.00 1.65 0.94 1.69 2.15 -1.26 -4.91 116.67 115.93 2kki s ASP 85 Ca 0.00 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.49 2kki s ASP 85 Cb 0.00 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 43.00 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 -1.78 4.34 4.07 -1.20 -3.28 120.64 128.10 2kki n GLU 86 Ca -0.04 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.73 2kki n GLU 86 Cb 0.48 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.80 2kki n GLU 86 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kki n ASP 87 N 2.53 2.92 -3.63 4.31 -0.08 -0.86 -3.32 116.55 118.42 2kki n ASP 87 Ca 0.00 -2.69 -0.07 0.00 -1.51 0.00 0.00 54.79 50.52 2kki n ASP 87 Cb 0.00 -1.54 -0.08 0.00 2.34 0.00 0.00 41.12 41.84 2kki n ASP 87 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2kki s GLN 88 N 6.00 0.38 0.63 -0.67 -0.44 -1.20 -4.91 119.66 119.45 2kki s GLN 88 Ca 0.65 1.09 -0.19 0.00 -2.50 0.00 0.00 55.36 54.41 2kki s GLN 88 Cb 0.04 0.40 -0.02 0.00 -1.64 0.00 0.00 33.01 31.80 2kki s GLN 88 CO 0.13 -0.27 1.31 -2.14 0.50 0.00 0.00 175.29 174.82 2kki s PRO 89 N 2.67 2.63 0.13 1.67 0.02 -1.26 -3.43 135.00 137.43 2kki s PRO 89 Ca -0.01 2.11 -0.31 0.00 0.02 0.00 0.00 61.00 62.80 2kki s PRO 89 Cb -0.12 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.39 2kki s PRO 89 CO -0.14 -1.55 1.65 0.14 -0.33 0.00 0.00 177.00 176.77 2kki s VAL 90 N -1.37 2.72 -0.02 3.83 -7.23 -1.03 -4.68 120.40 112.62 2kki s VAL 90 Ca 0.81 0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 61.30 2kki s VAL 90 Cb -0.38 -3.24 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 2kki s VAL 90 CO 0.41 0.01 0.22 -0.76 -0.31 0.00 0.00 175.10 174.68 2kki s LEU 91 N 1.95 4.37 -0.63 1.32 1.43 -1.18 -4.87 118.68 121.07 2kki s LEU 91 Ca 0.73 0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 54.11 2kki s LEU 91 Cb -0.43 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.31 2kki s LEU 91 CO 0.32 0.28 0.83 -0.76 0.23 0.00 0.00 176.35 177.25 2kki s LEU 92 N -1.72 4.96 -0.26 1.79 1.43 -1.25 -1.70 118.68 121.93 2kki s LEU 92 Ca 0.26 -1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 51.92 2kki s LEU 92 Cb -0.13 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2kki s LEU 92 CO 0.15 -1.25 0.49 -0.75 0.23 0.00 0.00 176.35 175.22 2kki s LYS 93 N 3.27 4.05 -0.80 1.70 2.36 0.65 -4.82 119.74 126.16 2kki s LYS 93 Ca 0.17 0.27 -0.18 0.00 -2.55 0.00 0.00 55.97 53.67 2kki s LYS 93 Cb -0.21 -3.66 0.14 0.00 -1.05 0.00 0.00 37.83 33.06 2kki s LYS 93 CO 0.07 -0.35 0.92 -1.83 1.55 0.00 0.00 175.35 175.72 2kki s GLU 94 N 2.27 3.42 -0.20 4.03 1.03 -1.26 0.67 118.70 128.66 2kki s GLU 94 Ca 0.20 -1.74 -0.02 0.00 0.03 0.00 0.00 54.97 53.44 2kki s GLU 94 Cb -0.16 -4.59 0.00 0.00 -0.80 0.00 0.00 34.13 28.59 2kki s GLU 94 CO 0.09 -1.61 -0.10 1.41 -1.33 0.00 0.00 175.26 173.73 2kki s MET 95 N 2.21 3.25 -0.10 -4.83 1.75 -1.22 -4.96 119.30 115.41 2kki s MET 95 Ca 0.23 -0.69 -0.29 0.00 -1.25 0.00 0.00 55.69 53.68 2kki s MET 95 Cb -0.12 -2.85 -0.01 0.00 2.84 0.00 0.00 34.83 34.69 2kki s MET 95 CO -0.04 -0.18 1.00 -1.25 -0.65 0.00 0.00 175.02 173.90 2kki s PRO 96 N 1.36 4.43 0.34 4.11 0.04 -1.26 -4.61 135.00 139.41 2kki s PRO 96 Ca 0.05 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2kki s PRO 96 Cb -0.14 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2kki s PRO 96 CO -0.06 -0.29 0.00 0.39 0.04 0.00 0.00 177.00 177.08 2kki n GLU 97 N 4.92 -2.80 -2.20 4.56 -0.58 -1.26 -4.88 120.64 118.39 2kki n GLU 97 Ca 0.08 2.10 -0.42 0.00 -0.42 0.00 0.00 57.16 58.51 2kki n GLU 97 Cb 0.49 -2.41 -0.03 0.00 -0.57 0.00 0.00 31.44 28.92 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 -3.24 3.60 0.30 -3.67 2.07 -1.26 -4.99 121.20 114.01 2kki s ILE 98 Ca 0.00 1.04 -0.23 0.00 -1.41 0.00 0.00 60.65 60.05 2kki s ILE 98 Cb 0.00 -3.67 -0.09 0.00 0.13 0.00 0.00 42.46 38.83 2kki s ILE 98 CO 0.00 0.02 0.87 -2.16 -1.91 0.00 0.00 174.94 171.75 2kki s PRO 99 N 2.10 4.43 0.00 3.50 0.04 -1.26 -4.91 135.00 138.90 2kki s PRO 99 Ca 0.64 1.14 0.22 0.00 0.04 0.00 0.00 61.00 63.05 2kki s PRO 99 Cb -0.33 -2.77 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 2kki s PRO 99 CO 0.28 0.29 1.03 0.36 0.04 0.00 0.00 177.00 179.00 2kki n LYS 100 N 0.51 0.08 -3.66 4.56 2.85 -1.26 -4.41 118.16 116.83 2kki n LYS 100 Ca 0.01 -0.07 -0.27 0.00 -1.05 0.00 0.00 58.31 56.93 2kki n LYS 100 Cb 0.51 -1.50 -0.16 0.00 -0.65 0.00 0.00 35.03 33.23 2kki n LYS 100 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2kki s THR 101 N -2.96 0.22 -0.29 0.58 2.01 -1.24 0.56 115.64 114.51 2kki s THR 101 Ca 0.09 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 2kki s THR 101 Cb 0.16 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 2kki s THR 101 CO 0.81 -0.35 0.21 -0.51 -0.69 0.00 0.00 174.62 174.09 2kki s ILE 102 N 1.99 5.30 -0.07 1.82 -1.16 -1.25 -4.63 121.20 123.20 2kki s ILE 102 Ca 0.02 0.10 0.01 0.00 -0.51 0.00 0.00 60.65 60.28 2kki s ILE 102 Cb -0.17 -3.58 0.02 0.00 0.61 0.00 0.00 42.46 39.35 2kki s ILE 102 CO -0.14 0.19 -0.10 0.28 -2.81 0.00 0.00 174.94 172.36 2kki s THR 103 N 1.76 1.01 0.00 4.00 -1.32 -1.26 -2.48 115.64 117.35 2kki s THR 103 Ca 0.07 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 2kki s THR 103 Cb -0.16 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2kki s THR 103 CO 0.11 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 2kki n GLY 104 N 4.10 0.00 0.23 6.08 0.00 -1.26 -3.22 105.19 111.12 2kki n GLY 104 Ca -0.21 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.01 -2.42 113.55 110.76 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 -0.62 -1.14 0.00 0.00 176.83 175.07 2kki n GLU 106 N -2.66 0.94 0.12 3.45 4.71 -1.20 -3.43 120.64 122.58 2kki n GLU 106 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.26 2kki n GLU 106 Cb 0.12 -1.29 0.47 0.00 -1.01 0.00 0.00 31.44 29.73 2kki n GLU 106 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2kki n THR 107 N -0.79 0.77 0.01 2.62 -1.04 -0.91 -1.83 114.28 113.11 2kki n THR 107 Ca 0.13 0.12 -0.06 0.00 -2.04 0.00 0.00 64.05 62.20 2kki n THR 107 Cb 0.06 -1.03 0.13 0.00 -1.82 0.00 0.00 70.33 67.66 2kki n THR 107 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2kki h ASN 108 N 0.00 0.53 -0.59 8.00 -0.26 -1.84 -3.28 115.58 118.14 2kki h ASN 108 Ca 0.00 -0.23 -0.38 0.00 -0.56 0.00 0.00 56.30 55.13 2kki h ASN 108 Cb 0.44 -0.15 -0.17 0.00 -1.06 0.00 0.00 38.32 37.39 2kki h ASN 108 CO 0.00 0.88 0.49 -0.11 -1.06 0.00 0.00 177.43 177.63 2kki n LEU 109 N -4.02 6.44 -4.87 1.61 7.94 -0.76 -1.73 117.00 121.60 2kki n LEU 109 Ca -0.02 -3.36 -0.37 0.00 -1.11 0.00 0.00 56.01 51.16 2kki n LEU 109 Cb 0.51 -0.98 -0.06 0.00 0.53 0.00 0.00 43.42 43.43 2kki n LEU 109 CO 0.44 1.19 -0.16 -1.48 -1.11 0.00 0.00 177.39 176.27 2kki s LEU 110 N -2.18 4.38 -0.06 -1.96 0.05 -1.24 -4.41 118.68 113.26 2kki s LEU 110 Ca 0.37 0.47 -0.02 0.00 0.05 0.00 0.00 54.13 55.00 2kki s LEU 110 Cb 0.30 -2.08 0.04 0.00 -2.05 0.00 0.00 46.19 42.39 2kki s LEU 110 CO 0.01 0.39 0.11 -0.36 -0.55 0.00 0.00 176.35 175.96 2kki s PHE 111 N -0.95 -0.09 -0.45 3.48 0.08 -1.09 -4.03 117.98 114.93 2kki s PHE 111 Ca 0.15 0.43 -0.26 0.00 0.12 0.00 0.00 56.93 57.37 2kki s PHE 111 Cb -0.12 -0.27 0.03 0.00 -0.57 0.00 0.00 43.02 42.08 2kki s PHE 111 CO 0.04 -0.20 0.95 0.12 -0.10 0.00 0.00 175.22 176.03 2kki s PHE 112 N 1.84 2.93 -0.55 0.36 5.36 0.38 -0.94 117.98 127.36 2kki s PHE 112 Ca -0.01 0.49 -0.22 0.00 -0.96 0.00 0.00 56.93 56.23 2kki s PHE 112 Cb -0.12 -3.97 0.05 0.00 -0.34 0.00 0.00 43.02 38.64 2kki s PHE 112 CO -0.05 -1.07 0.83 -0.46 -1.46 0.00 0.00 175.22 173.01 2kki s TRP 113 N 3.79 2.87 -0.45 10.12 -0.11 -1.25 -1.61 118.94 132.30 2kki s TRP 113 Ca 0.39 -0.30 -0.10 0.00 1.22 0.00 0.00 56.10 57.30 2kki s TRP 113 Cb -0.10 -3.92 0.09 0.00 -1.50 0.00 0.00 33.47 28.04 2kki s TRP 113 CO 0.26 -1.28 0.32 -1.21 -4.62 0.00 0.00 176.95 170.41 2kki s GLU 114 N 3.47 2.64 -0.23 5.86 0.41 -0.75 -4.99 118.70 125.12 2kki s GLU 114 Ca 0.23 -1.56 -0.10 0.00 -0.41 0.00 0.00 54.97 53.13 2kki s GLU 114 Cb -0.16 -3.91 -0.05 0.00 -1.78 0.00 0.00 34.13 28.23 2kki s GLU 114 CO 0.15 -1.06 0.16 -0.08 -0.49 0.00 0.00 175.26 173.93 2kki s THR 115 N 1.45 5.37 -0.35 3.63 -1.32 -1.26 0.11 115.64 123.27 2kki s THR 115 Ca 0.04 0.19 0.01 0.00 -1.21 0.00 0.00 61.69 60.72 2kki s THR 115 Cb -0.25 -3.50 0.11 0.00 -1.51 0.00 0.00 72.50 67.36 2kki s THR 115 CO 0.02 0.37 0.13 -1.00 -2.21 0.00 0.00 174.62 171.93 2kki s HIS 116 N 0.86 2.04 0.00 9.09 3.76 -0.16 -4.99 115.29 125.89 2kki s HIS 116 Ca 0.08 -2.08 0.00 0.00 -0.15 0.00 0.00 55.06 52.91 2kki s HIS 116 Cb -0.13 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.65 2kki s HIS 116 CO 0.03 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.46 2kki n GLY 117 N 4.43 1.53 0.23 -2.22 0.00 -1.26 -2.98 105.19 104.92 2kki n GLY 117 Ca 0.02 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 1.30 -1.65 2.61 -1.04 -1.26 -5.01 114.28 109.24 2kki n THR 118 Ca 0.00 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 61.35 2kki n THR 118 Cb 0.00 -1.71 0.11 0.00 -1.82 0.00 0.00 70.33 66.91 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 -2.44 1.68 -0.02 -2.82 1.02 -1.16 -3.94 119.74 112.06 2kki s LYS 119 Ca -0.33 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.72 2kki s LYS 119 Cb 0.12 -1.90 0.07 0.00 -0.52 0.00 0.00 37.83 35.60 2kki s LYS 119 CO 0.44 -1.84 0.68 0.54 -0.92 0.00 0.00 175.35 174.25 2kki s ASN 120 N -4.14 -0.63 0.24 2.83 6.03 0.28 -0.99 114.94 118.55 2kki s ASN 120 Ca 0.62 0.59 0.08 0.00 -1.03 0.00 0.00 52.86 53.12 2kki s ASN 120 Cb -0.14 0.54 -0.04 0.00 -3.03 0.00 0.00 41.25 38.58 2kki s ASN 120 CO 0.52 -0.65 0.06 -0.31 -2.03 0.00 0.00 177.10 174.69 2kki s TYR 121 N -1.60 2.86 -0.31 1.54 1.51 0.12 -0.13 117.35 121.33 2kki s TYR 121 Ca -0.09 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2kki s TYR 121 Cb -0.00 -1.30 0.10 0.00 -0.11 0.00 0.00 41.96 40.64 2kki s TYR 121 CO 0.06 0.57 0.08 -0.06 -1.11 0.00 0.00 175.55 175.09 2kki s PHE 122 N -2.12 2.21 0.05 2.71 0.40 -1.25 -1.80 117.98 118.19 2kki s PHE 122 Ca 0.31 -2.03 -0.20 0.00 -0.60 0.00 0.00 56.93 54.40 2kki s PHE 122 Cb -0.08 -2.00 -0.06 0.00 0.51 0.00 0.00 43.02 41.39 2kki s PHE 122 CO 0.21 -0.89 0.59 0.99 0.70 0.00 0.00 175.22 176.82 2kki s THR 123 N 1.44 4.77 0.03 0.64 2.01 -0.63 -1.06 115.64 122.84 2kki s THR 123 Ca 0.10 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 63.05 2kki s THR 123 Cb -0.18 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 2kki s THR 123 CO -0.20 0.51 1.39 -0.55 -0.69 0.00 0.00 174.62 175.08 2kki s SER 124 N -0.83 6.85 0.43 3.53 0.15 -0.25 0.14 113.70 123.72 2kki s SER 124 Ca 0.30 2.16 0.23 0.00 0.70 0.00 0.00 55.95 59.35 2kki s SER 124 Cb -0.19 -2.57 0.75 0.00 -1.71 0.00 0.00 66.02 62.30 2kki s SER 124 CO 0.19 -0.69 1.75 0.58 1.20 0.00 0.00 173.24 176.26 2kki h VAL 125 N 4.75 0.46 -0.06 4.45 2.07 -1.89 -2.47 116.25 123.56 2kki h VAL 125 Ca -0.39 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 65.82 2kki h VAL 125 Cb 1.19 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2kki h VAL 125 CO 0.89 0.21 -0.30 0.00 0.02 0.00 0.00 177.57 178.39 2kki h ALA 126 N 1.78 0.12 -2.72 1.67 0.00 -1.87 -3.28 119.26 114.96 2kki h ALA 126 Ca -0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 2kki h ALA 126 Cb 0.87 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.30 2kki h ALA 126 CO 0.03 0.17 -0.60 -1.01 0.00 0.00 0.00 179.25 177.84 2kki s HIS 127 N -3.63 -0.31 0.36 0.00 3.76 -0.99 -4.95 115.29 109.53 2kki s HIS 127 Ca -0.14 0.54 0.05 0.00 -0.15 0.00 0.00 55.06 55.36 2kki s HIS 127 Cb 0.03 -0.23 0.72 0.00 1.11 0.00 0.00 32.58 34.21 2kki s HIS 127 CO 0.77 -0.47 1.97 -1.00 -0.85 0.00 0.00 174.74 175.17 2kki h PRO 128 N 8.31 0.75 0.00 8.40 0.13 -1.76 -0.92 132.00 146.91 2kki h PRO 128 Ca -0.15 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2kki h PRO 128 Cb 1.13 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2kki h PRO 128 CO 0.21 0.50 0.00 -1.71 -0.23 0.00 0.00 178.00 176.76 2kki n ASN 129 N -4.47 0.00 -4.74 1.44 4.05 -1.26 -4.03 115.26 106.24 2kki n ASN 129 Ca 0.09 0.33 -0.37 0.00 0.45 0.00 0.00 54.58 55.08 2kki n ASN 129 Cb 0.18 -0.40 -0.06 0.00 1.23 0.00 0.00 39.78 40.72 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kki s LEU 130 N -2.81 4.29 -0.16 1.20 1.02 -0.35 -2.88 118.68 119.00 2kki s LEU 130 Ca 0.08 0.69 -0.14 0.00 0.02 0.00 0.00 54.13 54.78 2kki s LEU 130 Cb 0.07 -2.53 0.04 0.00 0.02 0.00 0.00 46.19 43.79 2kki s LEU 130 CO 0.18 0.09 0.41 0.12 0.02 0.00 0.00 176.35 177.18 2kki s PHE 131 N 0.31 -0.46 -0.65 0.29 2.19 -1.21 -1.09 117.98 117.35 2kki s PHE 131 Ca 0.21 1.12 -0.23 0.00 0.33 0.00 0.00 56.93 58.36 2kki s PHE 131 Cb -0.14 0.16 0.06 0.00 -1.31 0.00 0.00 43.02 41.79 2kki s PHE 131 CO 0.08 -0.23 1.00 0.42 1.83 0.00 0.00 175.22 178.32 2kki s ILE 132 N 0.30 4.26 0.25 3.12 -1.09 -0.22 -2.02 121.20 125.80 2kki s ILE 132 Ca -0.01 -0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.21 2kki s ILE 132 Cb -0.03 -4.69 -0.05 0.00 -1.58 0.00 0.00 42.46 36.11 2kki s ILE 132 CO -0.00 -1.46 0.47 0.00 -1.23 0.00 0.00 174.94 172.72 2kki s ALA 133 N 4.26 3.72 -0.08 9.38 0.00 -1.11 -4.25 121.76 133.68 2kki s ALA 133 Ca 0.25 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2kki s ALA 133 Cb -0.15 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.82 2kki s ALA 133 CO 0.12 0.33 -0.21 0.99 0.00 0.00 0.00 175.76 176.99 2kki s THR 134 N -1.98 1.78 0.03 0.00 2.01 0.34 -4.12 115.64 113.70 2kki s THR 134 Ca 0.41 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.55 2kki s THR 134 Cb -0.11 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2kki s THR 134 CO 0.30 0.50 0.07 -0.54 -0.69 0.00 0.00 174.62 174.26 2kki s LYS 135 N 0.30 2.96 0.22 4.92 -0.14 -1.26 -1.85 119.74 124.89 2kki s LYS 135 Ca -0.14 -0.58 0.06 0.00 -1.36 0.00 0.00 55.97 53.95 2kki s LYS 135 Cb -0.16 -2.78 0.18 0.00 -1.68 0.00 0.00 37.83 33.39 2kki s LYS 135 CO 0.06 0.61 1.51 0.37 -0.76 0.00 0.00 175.35 177.14 2kki h GLN 136 N 3.80 0.12 0.00 1.68 5.75 -1.94 -3.38 115.11 121.14 2kki h GLN 136 Ca -0.48 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 57.91 2kki h GLN 136 Cb 1.17 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.75 2kki h GLN 136 CO 0.63 0.78 -0.52 -0.25 -2.65 0.00 0.00 178.83 176.83 2kki n ASP 137 N -3.75 2.59 -4.03 -0.69 8.00 -1.26 -4.78 116.55 112.62 2kki n ASP 137 Ca -0.02 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.31 2kki n ASP 137 Cb 0.69 0.29 0.08 0.00 -0.02 0.00 0.00 41.12 42.16 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 -1.22 -2.85 -2.28 1.24 4.01 -1.26 -4.85 117.16 109.96 2kki n TYR 138 Ca 0.00 -1.43 -0.35 0.00 -0.16 0.00 0.00 57.90 55.96 2kki n TYR 138 Cb 0.23 -0.51 -0.00 0.00 -0.31 0.00 0.00 39.34 38.75 2kki n TYR 138 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 2kki s TRP 139 N -2.09 2.70 -0.39 -0.72 -0.00 -1.26 -4.03 118.94 113.14 2kki s TRP 139 Ca 0.49 1.55 -0.28 0.00 -0.00 0.00 0.00 56.10 57.85 2kki s TRP 139 Cb -0.03 -3.28 -0.01 0.00 -0.00 0.00 0.00 33.47 30.15 2kki s TRP 139 CO 0.32 -1.53 1.66 0.14 -0.00 0.00 0.00 176.95 177.54 2kki s VAL 140 N -1.78 3.62 0.00 5.86 -7.23 -0.31 -4.55 120.40 116.02 2kki s VAL 140 Ca 0.72 0.61 0.00 0.00 -1.81 0.00 0.00 61.98 61.50 2kki s VAL 140 Cb -0.24 -3.89 0.00 0.00 0.56 0.00 0.00 36.38 32.82 2kki s VAL 140 CO 0.27 -0.60 0.00 0.00 -0.31 0.00 0.00 175.10 174.46 2kki s LEU 142 N 0.00 2.23 -0.13 0.00 2.96 -1.22 -2.77 118.68 119.76 2kki s LEU 142 Ca 0.00 -0.51 -0.31 0.00 -0.22 0.00 0.00 54.13 53.08 2kki s LEU 142 Cb 0.00 -0.21 0.13 0.00 0.50 0.00 0.00 46.19 46.61 2kki s LEU 142 CO 0.00 -0.17 1.06 0.00 -1.32 0.00 0.00 176.35 175.92 2kki s ALA 143 N -1.25 -1.96 -0.37 5.97 0.00 -0.85 -2.02 121.76 121.28 2kki s ALA 143 Ca -0.08 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.35 2kki s ALA 143 Cb -0.09 -0.17 0.58 0.00 0.00 0.00 0.00 23.12 23.44 2kki s ALA 143 CO 0.00 -0.54 1.70 0.41 0.00 0.00 0.00 175.76 177.34 2kki n GLY 144 N 0.09 3.73 0.00 0.00 0.00 -1.14 -3.29 105.19 104.58 2kki n GLY 144 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.53 1.96 0.00 -0.02 0.00 -1.26 -5.00 105.19 100.34 2kki n GLY 145 Ca 0.43 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.06 135.00 132.27 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 -2.54 0.52 -0.02 -1.26 -4.86 135.00 126.84 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 7.18 -0.68 2.55 0.01 -1.17 -4.98 113.70 116.60 2kki s SER 148 Ca 0.00 1.81 -0.20 0.00 1.31 0.00 0.00 55.95 58.87 2kki s SER 148 Cb 0.00 -2.57 0.10 0.00 0.21 0.00 0.00 66.02 63.76 2kki s SER 148 CO 0.00 -0.43 0.86 -0.63 0.41 0.00 0.00 173.24 173.45 2kki s ILE 149 N 1.41 4.68 -0.28 1.44 1.09 -0.77 -4.79 121.20 123.97 2kki s ILE 149 Ca 0.55 -0.96 -0.00 0.00 -1.10 0.00 0.00 60.65 59.14 2kki s ILE 149 Cb -0.25 -4.60 0.25 0.00 -1.06 0.00 0.00 42.46 36.80 2kki s ILE 149 CO 0.26 -1.30 1.83 0.35 -0.10 0.00 0.00 174.94 175.99 2kki n THR 150 N 5.58 2.55 -3.76 2.92 -2.24 -1.26 0.13 114.28 118.19 2kki n THR 150 Ca -0.01 -1.42 -0.34 0.00 -2.27 0.00 0.00 64.05 60.01 2kki n THR 150 Cb 0.45 -1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 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 0.09 6.49 0.22 3.42 1.11 -1.26 -4.13 116.67 122.62 2kki s ASP 151 Ca 0.30 0.55 0.00 0.00 0.18 0.00 0.00 52.55 53.58 2kki s ASP 151 Cb 0.24 -2.08 -0.04 0.00 1.07 0.00 0.00 42.92 42.10 2kki s ASP 151 CO 0.01 0.24 0.14 -0.36 1.18 0.00 0.00 175.17 176.38 2kki s PHE 152 N -1.32 1.28 -0.10 4.23 0.08 0.82 -3.80 117.98 119.17 2kki s PHE 152 Ca 0.28 -1.37 -0.18 0.00 0.12 0.00 0.00 56.93 55.79 2kki s PHE 152 Cb -0.13 -0.64 0.04 0.00 -0.57 0.00 0.00 43.02 41.72 2kki s PHE 152 CO 0.17 -0.60 0.44 -0.65 -0.10 0.00 0.00 175.22 174.48 2kki s GLN 153 N -4.07 0.65 -0.40 0.44 -0.21 0.44 0.99 119.66 117.51 2kki s GLN 153 Ca 0.39 0.31 -0.19 0.00 0.02 0.00 0.00 55.36 55.89 2kki s GLN 153 Cb 0.07 0.31 0.01 0.00 1.00 0.00 0.00 33.01 34.40 2kki s GLN 153 CO 0.14 -0.14 0.54 0.42 -2.12 0.00 0.00 175.29 174.13 2kki s ILE 154 N -0.48 4.97 -0.26 1.08 1.01 -1.25 -2.84 121.20 123.43 2kki s ILE 154 Ca -0.06 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 2kki s ILE 154 Cb -0.03 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 2kki s ILE 154 CO 0.03 -0.39 0.07 -0.76 0.00 0.00 0.00 174.94 173.89 2kki s LEU 155 N 2.48 3.51 0.43 2.97 1.43 0.19 -4.91 118.68 124.79 2kki s LEU 155 Ca 0.19 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2kki s LEU 155 Cb -0.15 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 2kki s LEU 155 CO 0.15 -0.07 0.76 -0.70 0.23 0.00 0.00 176.35 176.72 2kki s GLU 156 N 1.58 3.66 0.41 1.70 -6.30 -1.26 -1.08 118.70 117.42 2kki s GLU 156 Ca 0.06 0.31 -0.12 0.00 -2.50 0.00 0.00 54.97 52.72 2kki s GLU 156 Cb -0.15 -2.40 -0.07 0.00 0.00 0.00 0.00 34.13 31.50 2kki s GLU 156 CO 0.03 -0.10 0.81 1.21 0.02 0.00 0.00 175.26 177.23 2kki s ASN 157 N -3.60 6.58 -0.08 -1.70 2.47 -1.26 -4.67 114.94 112.68 2kki s ASN 157 Ca 0.49 1.24 -0.14 0.00 0.42 0.00 0.00 52.86 54.87 2kki s ASN 157 Cb -0.10 -2.37 -0.11 0.00 -1.45 0.00 0.00 41.25 37.22 2kki s ASN 157 CO 0.38 -0.41 0.49 -0.61 -3.72 0.00 0.00 177.10 173.23 2kki h GLN 158 N 1.34 -0.14 0.00 0.43 4.15 -1.90 -3.48 115.11 115.51 2kki h GLN 158 Ca -0.47 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2kki h GLN 158 Cb 1.18 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2kki h GLN 158 CO 0.64 0.21 0.00 0.00 -1.93 0.00 0.00 178.83 177.75