#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 4.27 0.03 2.41 0.11 -1.26 -5.03 120.40 120.93 2kki s VAL 10 Ca 0.00 1.95 -0.01 0.00 -2.93 0.00 0.00 61.98 60.98 2kki s VAL 10 Cb 0.00 -4.24 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 2kki s VAL 10 CO 0.00 0.33 0.18 -1.59 -3.33 0.00 0.00 175.10 170.69 2kki s LYS 11 N -0.23 3.38 -0.44 1.54 0.00 -1.26 -4.94 119.74 117.79 2kki s LYS 11 Ca 0.47 -0.40 -0.14 0.00 0.00 0.00 0.00 55.97 55.89 2kki s LYS 11 Cb -0.25 -3.04 0.06 0.00 0.00 0.00 0.00 37.83 34.60 2kki s LYS 11 CO 0.31 0.64 0.34 1.52 0.00 0.00 0.00 175.35 178.16 2kki s TYR 12 N -1.40 3.26 -0.04 1.78 1.13 -0.73 -4.59 117.35 116.76 2kki s TYR 12 Ca 0.31 -0.94 -0.00 0.00 -1.41 0.00 0.00 57.07 55.02 2kki s TYR 12 Cb -0.13 -2.95 -0.03 0.00 -1.10 0.00 0.00 41.96 37.75 2kki s TYR 12 CO 0.23 -0.75 0.01 0.54 -2.51 0.00 0.00 175.55 173.07 2kki s ASN 13 N 2.24 5.23 0.26 -0.18 6.03 0.19 -1.59 114.94 127.12 2kki s ASN 13 Ca 0.04 0.08 -0.31 0.00 -1.03 0.00 0.00 52.86 51.64 2kki s ASN 13 Cb -0.23 -1.43 -0.11 0.00 -3.03 0.00 0.00 41.25 36.45 2kki s ASN 13 CO 0.07 0.32 1.61 0.12 -2.03 0.00 0.00 177.10 177.19 2kki s PHE 14 N -1.01 2.82 -0.11 1.54 5.36 -0.77 -0.02 117.98 125.79 2kki s PHE 14 Ca 0.17 0.69 -0.09 0.00 -0.96 0.00 0.00 56.93 56.73 2kki s PHE 14 Cb -0.11 -4.06 -0.03 0.00 -0.34 0.00 0.00 43.02 38.47 2kki s PHE 14 CO 0.07 -3.70 -0.18 -0.12 -1.46 0.00 0.00 175.22 169.84 2kki n MET 15 N 2.70 0.34 -3.55 10.12 0.00 -0.42 -4.75 117.12 121.56 2kki n MET 15 Ca 0.10 0.30 -0.16 0.00 -0.00 0.00 0.00 57.70 57.94 2kki n MET 15 Cb 0.37 -1.28 -0.06 0.00 0.00 0.00 0.00 33.22 32.25 2kki n MET 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 2kki s ARG 16 N -2.08 0.96 -0.36 2.12 1.04 -1.21 -5.05 118.95 114.38 2kki s ARG 16 Ca -0.15 0.40 -0.28 0.00 -1.04 0.00 0.00 55.73 54.66 2kki s ARG 16 Cb 0.02 0.46 0.02 0.00 -2.04 0.00 0.00 34.95 33.41 2kki s ARG 16 CO 0.22 -0.27 1.06 0.96 -0.04 0.00 0.00 175.30 177.24 2kki s ILE 17 N -0.84 4.47 0.00 4.99 -4.36 -1.26 -2.58 121.20 121.61 2kki s ILE 17 Ca -0.08 1.55 0.00 0.00 -0.26 0.00 0.00 60.65 61.86 2kki s ILE 17 Cb -0.01 -4.44 0.00 0.00 1.25 0.00 0.00 42.46 39.26 2kki s ILE 17 CO 0.07 -0.59 0.00 -0.38 0.24 0.00 0.00 174.94 174.28 2kki n ILE 18 N 6.07 0.00 -4.13 8.37 5.41 -1.10 -5.00 119.36 128.98 2kki n ILE 18 Ca 0.11 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.63 2kki n ILE 18 Cb 0.48 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.36 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 1.92 2.84 0.10 0.38 1.02 -1.12 -4.92 119.74 119.96 2kki s LYS 19 Ca 0.00 -1.05 -0.16 0.00 0.02 0.00 0.00 55.97 54.78 2kki s LYS 19 Cb 0.00 -2.53 0.03 0.00 -0.52 0.00 0.00 37.83 34.81 2kki s LYS 19 CO 0.00 0.42 0.39 1.52 -0.92 0.00 0.00 175.35 176.76 2kki s TYR 20 N -2.05 -0.19 -1.46 3.18 1.13 -1.26 -0.44 117.35 116.25 2kki s TYR 20 Ca 0.32 -0.06 -0.08 0.00 -1.41 0.00 0.00 57.07 55.84 2kki s TYR 20 Cb -0.08 0.23 0.03 0.00 -1.10 0.00 0.00 41.96 41.03 2kki s TYR 20 CO 0.24 -0.66 0.88 -1.91 -2.51 0.00 0.00 175.55 171.59 2kki n GLU 21 N -0.03 -6.01 -4.03 -3.49 4.07 -0.19 -4.96 120.64 106.01 2kki n GLU 21 Ca -0.17 0.78 -0.22 0.00 -0.06 0.00 0.00 57.16 57.50 2kki n GLU 21 Cb 0.63 -5.71 -0.04 0.00 -0.06 0.00 0.00 31.44 26.26 2kki n GLU 21 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2kki s PHE 22 N -3.23 3.15 -0.24 4.31 0.08 -1.20 -4.92 117.98 115.94 2kki s PHE 22 Ca 0.49 -0.12 -0.13 0.00 0.12 0.00 0.00 56.93 57.29 2kki s PHE 22 Cb -0.22 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2kki s PHE 22 CO 0.60 0.45 0.27 0.42 -0.10 0.00 0.00 175.22 176.85 2kki s ILE 23 N -2.13 5.28 -0.27 0.64 -1.09 0.01 -2.67 121.20 120.97 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 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 2kki s ILE 23 CO 0.26 0.28 0.21 -0.22 -1.23 0.00 0.00 174.94 174.24 2kki s LEU 24 N 1.34 4.04 0.03 2.97 2.96 -1.26 -0.38 118.68 128.39 2kki s LEU 24 Ca 0.12 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 2kki s LEU 24 Cb -0.14 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 2kki s LEU 24 CO 0.07 -0.04 -0.09 0.20 -1.32 0.00 0.00 176.35 175.17 2kki s ASN 25 N 1.59 1.07 0.60 3.68 0.01 -1.04 -0.83 114.94 120.02 2kki s ASN 25 Ca 0.08 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 2kki s ASN 25 Cb -0.15 -0.04 0.09 0.00 0.41 0.00 0.00 41.25 41.56 2kki s ASN 25 CO 0.09 -0.06 0.63 -0.90 -1.51 0.00 0.00 177.10 175.36 2kki n ASP 26 N 1.99 0.86 0.27 -1.22 5.75 -1.23 0.15 116.55 123.12 2kki n ASP 26 Ca -0.19 -1.72 0.15 0.00 -0.01 0.00 0.00 54.79 53.03 2kki n ASP 26 Cb 0.56 -0.40 0.75 0.00 -1.03 0.00 0.00 41.12 40.99 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 -0.53 1.10 0.00 2.12 0.00 -1.86 0.44 119.26 120.53 2kki h ALA 27 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kki h ALA 27 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kki h ALA 27 CO 0.22 0.10 0.00 -0.07 0.00 0.00 0.00 179.25 179.51 2kki h LEU 28 N 0.00 0.00 -2.58 0.00 3.38 -1.90 -3.48 115.31 110.74 2kki h LEU 28 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 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 0.01 0.00 -0.41 0.59 0.09 0.00 0.00 178.44 178.72 2kki n ASN 29 N -2.65 -7.37 -3.87 -0.43 3.02 0.15 -4.96 115.26 99.15 2kki n ASN 29 Ca 0.03 0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.36 2kki n ASN 29 Cb 0.36 -4.66 -0.16 0.00 -0.61 0.00 0.00 39.78 34.70 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 -2.99 1.29 -0.05 3.52 -1.52 -1.26 -3.75 119.66 114.90 2kki s GLN 30 Ca 0.13 -0.65 -0.30 0.00 -1.95 0.00 0.00 55.36 52.60 2kki s GLN 30 Cb -0.03 -2.22 -0.05 0.00 -0.22 0.00 0.00 33.01 30.48 2kki s GLN 30 CO 0.78 -0.54 1.63 -1.54 -0.25 0.00 0.00 175.29 175.37 2kki s SER 31 N 1.61 6.68 -0.57 5.90 1.04 0.20 -3.51 113.70 125.05 2kki s SER 31 Ca -0.02 2.22 -0.28 0.00 0.48 0.00 0.00 55.95 58.35 2kki s SER 31 Cb -0.17 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.42 2kki s SER 31 CO -0.07 -0.91 1.50 0.27 0.98 0.00 0.00 173.24 175.01 2kki s ILE 32 N 3.92 3.68 0.04 -1.02 -4.36 -0.01 -0.89 121.20 122.56 2kki s ILE 32 Ca 0.72 0.55 -0.01 0.00 -0.26 0.00 0.00 60.65 61.65 2kki s ILE 32 Cb -0.33 -4.35 -0.04 0.00 1.25 0.00 0.00 42.46 38.99 2kki s ILE 32 CO 0.29 -1.15 0.21 -0.63 0.24 0.00 0.00 174.94 173.90 2kki s ILE 33 N 6.61 5.39 -0.24 8.37 1.01 -0.51 -2.89 121.20 138.95 2kki s ILE 33 Ca 0.55 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.63 2kki s ILE 33 Cb -0.12 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2kki s ILE 33 CO 0.24 0.20 0.98 0.00 0.00 0.00 0.00 174.94 176.35 2kki s ARG 34 N -2.33 4.22 -0.08 2.79 1.04 -1.26 -1.58 118.95 121.75 2kki s ARG 34 Ca 0.33 1.22 0.04 0.00 -1.04 0.00 0.00 55.73 56.28 2kki s ARG 34 Cb -0.13 -3.65 -0.24 0.00 -2.04 0.00 0.00 34.95 28.89 2kki s ARG 34 CO 0.25 -0.61 0.53 0.00 -0.04 0.00 0.00 175.30 175.43 2kki n ALA 35 N 6.26 1.22 -2.43 7.88 0.00 -1.00 -4.91 120.51 127.53 2kki n ALA 35 Ca 0.10 -0.69 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 2kki n ALA 35 Cb 0.46 -0.78 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 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 -6.51 0.17 0.00 0.00 3.84 -0.07 -5.00 114.94 107.36 2kki s ASN 36 Ca -0.12 -1.07 0.21 0.00 0.21 0.00 0.00 52.86 52.09 2kki s ASN 36 Cb 0.07 0.37 1.18 0.00 -0.55 0.00 0.00 41.25 42.32 2kki s ASN 36 CO 0.80 -0.82 1.66 0.47 -2.79 0.00 0.00 177.10 176.42 2kki n ASP 37 N -0.17 0.00 0.00 -4.21 9.92 -1.26 -2.90 116.55 117.93 2kki n ASP 37 Ca -0.06 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 2kki n ASP 37 Cb 0.63 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 2kki n ASP 37 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2kki n GLN 38 N -1.13 2.71 -4.51 -1.24 -0.06 -1.26 -4.70 117.38 107.20 2kki n GLN 38 Ca 0.13 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.90 2kki n GLN 38 Cb 0.11 -1.00 -0.14 0.00 -4.06 0.00 0.00 30.24 25.16 2kki n GLN 38 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 2kki s TYR 39 N -2.00 1.62 -0.04 3.69 2.02 -1.14 -3.63 117.35 117.87 2kki s TYR 39 Ca 0.00 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 2kki s TYR 39 Cb 0.00 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.61 2kki s TYR 39 CO 0.00 0.09 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.78 2kki s LEU 40 N -1.25 1.75 -0.05 -1.29 0.20 -1.26 -0.89 118.68 115.89 2kki s LEU 40 Ca 0.05 -0.24 0.06 0.00 0.69 0.00 0.00 54.13 54.69 2kki s LEU 40 Cb -0.09 -0.69 -0.01 0.00 -0.43 0.00 0.00 46.19 44.97 2kki s LEU 40 CO 0.02 0.07 -0.24 0.42 -0.29 0.00 0.00 176.35 176.33 2kki s THR 41 N 0.30 1.95 0.05 3.68 -4.23 -0.62 -0.30 115.64 116.48 2kki s THR 41 Ca -0.06 -1.01 -0.17 0.00 -1.18 0.00 0.00 61.69 59.26 2kki s THR 41 Cb -0.11 -1.65 -0.06 0.00 1.34 0.00 0.00 72.50 72.02 2kki s THR 41 CO 0.01 0.54 0.51 0.00 -0.54 0.00 0.00 174.62 175.15 2kki s ALA 42 N -0.17 3.63 -0.13 3.99 0.00 -1.26 -1.42 121.76 126.41 2kki s ALA 42 Ca -0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.78 2kki s ALA 42 Cb -0.13 -2.54 0.05 0.00 0.00 0.00 0.00 23.12 20.50 2kki s ALA 42 CO 0.03 0.43 0.33 0.00 0.00 0.00 0.00 175.76 176.55 2kki s ALA 43 N -1.12 -0.81 0.06 0.00 0.00 -0.07 -4.55 121.76 115.28 2kki s ALA 43 Ca 0.27 1.15 -0.32 0.00 0.00 0.00 0.00 51.96 53.06 2kki s ALA 43 Cb -0.18 -0.70 -0.11 0.00 0.00 0.00 0.00 23.12 22.12 2kki s ALA 43 CO 0.17 -0.21 1.81 0.00 0.00 0.00 0.00 175.76 177.54 2kki n ALA 44 N 3.79 1.61 -1.60 0.00 0.00 -1.25 0.59 120.51 123.66 2kki n ALA 44 Ca -0.20 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 2kki n ALA 44 Cb 0.55 -2.53 0.03 0.00 0.00 0.00 0.00 19.45 17.50 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 2.92 3.43 0.00 0.00 2.34 -1.26 -4.76 118.68 121.35 2kki s LEU 45 Ca 0.85 1.86 0.00 0.00 0.06 0.00 0.00 54.13 56.90 2kki s LEU 45 Cb -0.57 -4.54 0.00 0.00 -0.56 0.00 0.00 46.19 40.52 2kki s LEU 45 CO 0.42 -1.35 0.00 1.57 -1.06 0.00 0.00 176.35 175.93 2kki n HIS 46 N -2.25 0.00 1.38 3.48 -0.00 -1.26 -4.71 115.22 111.86 2kki n HIS 46 Ca 0.09 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.41 2kki n HIS 46 Cb 0.53 0.00 0.45 0.00 -0.12 0.00 0.00 29.99 30.84 2kki n HIS 46 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 2kki n ASN 47 N 0.00 1.41 0.00 0.26 5.15 -1.26 -4.97 115.26 115.85 2kki n ASN 47 Ca 0.00 -1.31 0.00 0.00 -0.60 0.00 0.00 54.58 52.67 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 -0.06 0.00 -4.56 1.20 4.77 -1.26 -2.80 117.00 114.28 2kki n LEU 48 Ca 0.16 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.73 2kki n LEU 48 Cb 0.36 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2kki n LEU 48 CO 0.20 0.00 1.53 1.51 -1.33 0.00 0.00 177.39 179.30 2kki s ASP 49 N 0.00 6.55 0.00 -1.43 -4.77 -1.26 -4.24 116.67 111.51 2kki s ASP 49 Ca 0.00 -1.60 0.00 0.00 -3.30 0.00 0.00 52.55 47.65 2kki s ASP 49 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 2kki s ASP 49 CO 0.00 -1.45 0.00 -0.62 0.70 0.00 0.00 175.17 173.80 2kki n GLU 50 N 8.76 1.02 -1.96 2.11 1.02 -1.26 -5.05 120.64 125.28 2kki n GLU 50 Ca 0.35 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.19 2kki n GLU 50 Cb 0.50 -0.45 0.03 0.00 -0.02 0.00 0.00 31.44 31.50 2kki n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kki s ALA 51 N -0.81 3.03 0.15 0.62 0.00 -1.26 -4.89 121.76 118.60 2kki s ALA 51 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 2kki s ALA 51 Cb 0.00 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 2kki s ALA 51 CO 0.00 -0.91 1.28 0.14 0.00 0.00 0.00 175.76 176.27 2kki s VAL 52 N -3.24 3.45 -0.13 0.00 -7.23 -1.14 -4.87 120.40 107.23 2kki s VAL 52 Ca 0.56 1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 61.71 2kki s VAL 52 Cb -0.11 -3.72 -0.05 0.00 0.56 0.00 0.00 36.38 33.06 2kki s VAL 52 CO 0.52 0.14 0.36 -0.54 -0.31 0.00 0.00 175.10 175.27 2kki s LYS 53 N 0.33 4.25 0.40 4.82 1.02 -1.26 -4.42 119.74 124.88 2kki s LYS 53 Ca 0.58 0.23 0.05 0.00 0.02 0.00 0.00 55.97 56.85 2kki s LYS 53 Cb -0.35 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2kki s LYS 53 CO 0.34 0.25 0.57 -0.59 -0.92 0.00 0.00 175.35 175.00 2kki s PHE 54 N 0.39 3.05 -0.04 3.18 -0.71 -1.09 0.50 117.98 123.26 2kki s PHE 54 Ca 0.20 -0.14 -0.00 0.00 -1.04 0.00 0.00 56.93 55.95 2kki s PHE 54 Cb -0.14 -2.23 0.03 0.00 -1.21 0.00 0.00 43.02 39.47 2kki s PHE 54 CO 0.07 -0.27 0.01 -0.51 -1.34 0.00 0.00 175.22 173.18 2kki s ASP 55 N -4.25 0.72 -0.12 1.98 1.01 0.90 -1.02 116.67 115.89 2kki s ASP 55 Ca 0.49 -0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.72 2kki s ASP 55 Cb -0.10 -0.24 -0.03 0.00 1.01 0.00 0.00 42.92 43.56 2kki s ASP 55 CO 0.34 -0.14 -0.05 -0.32 0.21 0.00 0.00 175.17 175.20 2kki s MET 56 N 1.35 3.30 -0.02 8.23 -2.45 0.42 -2.79 119.30 127.34 2kki s MET 56 Ca -0.05 -0.54 -0.00 0.00 -1.25 0.00 0.00 55.69 53.85 2kki s MET 56 Cb -0.13 -2.77 0.03 0.00 1.25 0.00 0.00 34.83 33.21 2kki s MET 56 CO -0.02 0.40 0.03 0.20 1.05 0.00 0.00 175.02 176.68 2kki s GLY 57 N -0.10 0.11 0.24 2.11 0.00 -1.16 -2.71 107.32 105.82 2kki s GLY 57 Ca 0.01 0.30 -0.19 0.00 0.00 0.00 0.00 44.72 44.85 2kki s GLY 57 CO 0.03 0.71 0.73 0.00 0.00 0.00 0.00 173.10 174.56 2kki s ALA 58 N 1.10 3.40 0.15 3.20 0.00 -1.07 0.08 121.76 128.61 2kki s ALA 58 Ca -0.09 0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.09 2kki s ALA 58 Cb -0.13 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 2kki s ALA 58 CO -0.03 0.33 -0.17 1.52 0.00 0.00 0.00 175.76 177.41 2kki s TYR 59 N -1.61 1.67 -0.07 0.00 -0.85 -0.25 -1.30 117.35 114.93 2kki s TYR 59 Ca 0.45 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 2kki s TYR 59 Cb -0.15 -0.85 0.02 0.00 0.38 0.00 0.00 41.96 41.36 2kki s TYR 59 CO 0.20 0.26 -0.04 0.21 -1.52 0.00 0.00 175.55 174.66 2kki s LYS 60 N -2.72 0.98 0.05 -3.49 2.47 0.97 -4.18 119.74 113.81 2kki s LYS 60 Ca 0.13 -0.10 -0.01 0.00 -1.56 0.00 0.00 55.97 54.43 2kki s LYS 60 Cb -0.06 -1.08 -0.04 0.00 -1.46 0.00 0.00 37.83 35.20 2kki s LYS 60 CO 0.05 -0.18 -0.03 -1.54 0.16 0.00 0.00 175.35 173.81 2kki s SER 61 N 1.38 0.46 -0.41 1.43 1.04 -1.26 0.54 113.70 116.88 2kki s SER 61 Ca -0.03 -0.91 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 2kki s SER 61 Cb -0.13 0.18 0.19 0.00 0.10 0.00 0.00 66.02 66.36 2kki s SER 61 CO -0.03 -0.54 2.26 -1.20 0.98 0.00 0.00 173.24 174.71 2kki n SER 62 N 0.38 6.63 -1.38 7.02 7.64 -1.26 -4.05 113.62 128.60 2kki n SER 62 Ca -0.16 -3.20 -0.03 0.00 1.01 0.00 0.00 58.87 56.49 2kki n SER 62 Cb 0.60 -1.10 0.11 0.00 -1.01 0.00 0.00 64.21 62.80 2kki n SER 62 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kki n LYS 63 N 0.36 1.86 0.00 1.43 3.00 -1.26 -5.02 118.16 118.52 2kki n LYS 63 Ca 0.40 -3.32 0.00 0.00 -0.00 0.00 0.00 58.31 55.38 2kki n LYS 63 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.10 2kki n LYS 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kki n ASP 64 N -0.66 0.00 0.00 3.14 9.92 -1.26 -5.09 116.55 122.60 2kki n ASP 64 Ca 0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 2kki n ASP 64 Cb 0.86 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.34 2kki n ASP 64 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2kki n ASP 65 N 0.00 0.00 -0.26 -2.24 5.75 -1.26 -4.94 116.55 113.60 2kki n ASP 65 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.83 2kki n ASP 65 Cb 0.00 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.16 2kki n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kki n ALA 66 N -1.16 2.11 -3.07 2.12 0.00 -1.26 -5.08 120.51 114.16 2kki n ALA 66 Ca 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 53.44 51.50 2kki n ALA 66 Cb 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.50 0.31 0.15 0.00 -2.85 -1.26 -5.16 119.74 109.43 2kki s LYS 67 Ca 0.16 -0.00 0.08 0.00 -1.00 0.00 0.00 55.97 55.21 2kki s LYS 67 Cb 0.14 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 2kki s LYS 67 CO 0.02 -0.06 -0.10 0.96 0.10 0.00 0.00 175.35 176.27 2kki s ILE 68 N -0.47 3.25 -0.10 3.79 -4.36 -1.26 -4.74 121.20 117.31 2kki s ILE 68 Ca -0.06 -1.50 -0.01 0.00 -0.26 0.00 0.00 60.65 58.83 2kki s ILE 68 Cb -0.04 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 2kki s ILE 68 CO 0.01 -0.01 -0.05 0.28 0.24 0.00 0.00 174.94 175.40 2kki s THR 69 N -1.48 3.80 0.32 8.37 -1.32 -1.26 -3.69 115.64 120.37 2kki s THR 69 Ca 0.23 -0.42 0.09 0.00 -1.21 0.00 0.00 61.69 60.38 2kki s THR 69 Cb -0.10 -2.59 -0.06 0.00 -1.51 0.00 0.00 72.50 68.24 2kki s THR 69 CO 0.14 0.56 -0.11 0.68 -2.21 0.00 0.00 174.62 173.69 2kki s VAL 70 N -0.41 2.15 -0.19 5.08 -7.23 -0.35 -1.09 120.40 118.35 2kki s VAL 70 Ca 0.06 -2.22 -0.07 0.00 -1.81 0.00 0.00 61.98 57.94 2kki s VAL 70 Cb -0.12 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2kki s VAL 70 CO 0.02 -0.27 0.05 -0.63 -0.31 0.00 0.00 175.10 173.97 2kki s ILE 71 N -2.68 4.54 -0.27 -0.62 1.01 0.11 -2.69 121.20 120.59 2kki s ILE 71 Ca 0.31 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.77 2kki s ILE 71 Cb 0.01 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 2kki s ILE 71 CO 0.15 0.43 0.08 -0.22 0.00 0.00 0.00 174.94 175.38 2kki s LEU 72 N 0.67 3.67 0.05 2.97 2.96 -1.26 -2.98 118.68 124.75 2kki s LEU 72 Ca 0.02 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2kki s LEU 72 Cb -0.13 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2kki s LEU 72 CO 0.02 -0.12 -0.07 0.00 -1.32 0.00 0.00 176.35 174.86 2kki s ARG 73 N 1.56 0.57 -0.11 1.98 1.70 -1.12 -2.74 118.95 120.80 2kki s ARG 73 Ca 0.05 -0.87 -0.22 0.00 -0.47 0.00 0.00 55.73 54.22 2kki s ARG 73 Cb -0.16 -0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 33.95 2kki s ARG 73 CO 0.03 0.03 0.67 0.96 -1.08 0.00 0.00 175.30 175.91 2kki s ILE 74 N -1.86 5.04 0.61 4.99 -0.00 -1.23 -0.07 121.20 128.69 2kki s ILE 74 Ca -0.06 1.35 0.27 0.00 -0.00 0.00 0.00 60.65 62.21 2kki s ILE 74 Cb -0.07 -4.00 0.35 0.00 -0.00 0.00 0.00 42.46 38.74 2kki s ILE 74 CO -0.01 0.21 1.74 0.77 -0.00 0.00 0.00 174.94 177.65 2kki h SER 75 N 6.95 0.00 0.00 4.36 4.64 -0.23 -3.24 113.55 126.04 2kki h SER 75 Ca -0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 2kki h SER 75 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2kki h SER 75 CO 0.77 0.00 -0.14 0.11 -0.87 0.00 0.00 176.83 176.70 2kki h LYS 76 N 0.00 0.00 -5.88 4.77 6.56 -1.93 -3.47 116.57 116.62 2kki h LYS 76 Ca 0.23 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.25 2kki h LYS 76 Cb 1.50 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 33.07 2kki h LYS 76 CO -0.00 0.27 -0.50 -0.08 -2.06 0.00 0.00 179.45 177.08 2kki s THR 77 N -1.83 2.28 -1.06 -0.16 -1.32 -1.22 -5.05 115.64 107.27 2kki s THR 77 Ca -0.08 -1.71 -0.04 0.00 -1.21 0.00 0.00 61.69 58.66 2kki s THR 77 Cb -0.00 -2.99 0.31 0.00 -1.51 0.00 0.00 72.50 68.31 2kki s THR 77 CO 0.21 0.00 1.46 0.00 -2.21 0.00 0.00 174.62 174.08 2kki n GLN 78 N -1.23 4.42 -3.53 7.08 6.02 -1.26 -4.36 117.38 124.51 2kki n GLN 78 Ca -0.01 -4.57 -0.41 0.00 -0.01 0.00 0.00 57.00 52.00 2kki n GLN 78 Cb 0.65 -2.50 -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 -2.81 4.68 0.20 1.08 1.02 -1.26 -3.15 118.68 118.44 2kki s LEU 79 Ca 0.31 -0.63 0.06 0.00 0.02 0.00 0.00 54.13 53.90 2kki s LEU 79 Cb 0.06 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 2kki s LEU 79 CO 0.10 -0.31 0.13 -0.31 0.02 0.00 0.00 176.35 175.99 2kki s TYR 80 N 1.68 3.08 -0.17 0.29 1.51 0.21 -3.52 117.35 120.42 2kki s TYR 80 Ca 0.05 -0.07 -0.26 0.00 -1.01 0.00 0.00 57.07 55.78 2kki s TYR 80 Cb -0.18 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2kki s TYR 80 CO 0.10 0.53 0.88 0.08 -1.11 0.00 0.00 175.55 176.02 2kki s VAL 81 N -1.92 4.84 0.05 0.71 1.01 -1.11 0.04 120.40 124.03 2kki s VAL 81 Ca 0.31 1.73 -0.09 0.00 0.00 0.00 0.00 61.98 63.93 2kki s VAL 81 Cb -0.09 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2kki s VAL 81 CO 0.23 -0.00 0.35 0.42 0.00 0.00 0.00 175.10 176.10 2kki s THR 82 N 2.28 5.17 -0.27 3.92 -4.23 -0.27 -2.70 115.64 119.53 2kki s THR 82 Ca 0.40 0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 61.15 2kki s THR 82 Cb -0.17 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 2kki s THR 82 CO 0.12 0.33 0.24 0.00 -0.54 0.00 0.00 174.62 174.76 2kki s ALA 83 N -1.35 3.54 0.00 3.99 0.00 -0.95 -2.95 121.76 124.04 2kki s ALA 83 Ca 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2kki s ALA 83 Cb -0.14 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2kki s ALA 83 CO 0.17 -0.55 0.00 0.94 0.00 0.00 0.00 175.76 176.32 2kki n GLN 84 N 5.08 0.00 -3.44 0.00 0.00 -1.26 -4.91 117.38 112.85 2kki n GLN 84 Ca -0.13 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.71 2kki n GLN 84 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.65 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 1.25 0.77 1.69 2.15 -1.26 -4.90 116.67 115.37 2kki s ASP 85 Ca 0.00 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.68 2kki s ASP 85 Cb 0.00 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 2kki s ASP 85 CO 0.00 -0.34 0.00 1.21 -0.17 0.00 0.00 175.17 175.87 2kki n GLU 86 N 5.33 0.00 -1.66 4.34 2.13 -0.91 -3.62 120.64 126.25 2kki n GLU 86 Ca -0.04 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.42 2kki n GLU 86 Cb 0.49 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.14 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 1.22 2.87 -3.66 4.31 2.03 -0.96 -3.03 116.55 119.34 2kki n ASP 87 Ca 0.00 -2.70 -0.07 0.00 0.52 0.00 0.00 54.79 52.55 2kki n ASP 87 Cb 0.00 -1.45 -0.07 0.00 -0.72 0.00 0.00 41.12 38.88 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 5.73 0.57 0.63 -0.67 -0.21 -1.24 -4.91 119.66 119.56 2kki s GLN 88 Ca 0.63 1.17 -0.19 0.00 0.02 0.00 0.00 55.36 56.99 2kki s GLN 88 Cb 0.06 0.30 -0.02 0.00 1.00 0.00 0.00 33.01 34.35 2kki s GLN 88 CO 0.13 -0.18 1.30 -1.25 -2.12 0.00 0.00 175.29 173.17 2kki s PRO 89 N 2.00 2.66 0.20 2.91 0.04 -1.26 -3.59 135.00 137.95 2kki s PRO 89 Ca -0.08 2.07 -0.32 0.00 0.04 0.00 0.00 61.00 62.71 2kki s PRO 89 Cb -0.08 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 2kki s PRO 89 CO -0.17 -1.51 1.65 0.14 0.04 0.00 0.00 177.00 177.14 2kki s VAL 90 N -1.39 2.27 0.02 -0.36 -7.23 -0.97 -4.71 120.40 108.03 2kki s VAL 90 Ca 0.81 0.19 -0.05 0.00 -1.81 0.00 0.00 61.98 61.13 2kki s VAL 90 Cb -0.37 -3.12 -0.05 0.00 0.56 0.00 0.00 36.38 33.40 2kki s VAL 90 CO 0.40 0.02 0.25 -0.76 -0.31 0.00 0.00 175.10 174.70 2kki s LEU 91 N 1.03 4.36 -0.56 1.32 1.43 -1.15 -4.80 118.68 120.31 2kki s LEU 91 Ca 0.72 0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 54.12 2kki s LEU 91 Cb -0.47 -2.75 0.12 0.00 0.03 0.00 0.00 46.19 43.11 2kki s LEU 91 CO 0.33 0.23 0.58 -0.76 0.23 0.00 0.00 176.35 176.95 2kki s LEU 92 N -1.99 5.88 -0.25 1.79 1.43 -1.24 -1.12 118.68 123.19 2kki s LEU 92 Ca 0.30 -1.65 -0.17 0.00 -1.03 0.00 0.00 54.13 51.57 2kki s LEU 92 Cb -0.13 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2kki s LEU 92 CO 0.19 -0.96 0.47 -1.59 0.23 0.00 0.00 176.35 174.69 2kki s LYS 93 N 2.03 4.09 -0.77 1.70 0.00 0.11 -4.82 119.74 122.07 2kki s LYS 93 Ca 0.06 0.26 -0.19 0.00 0.00 0.00 0.00 55.97 56.11 2kki s LYS 93 Cb -0.28 -3.62 0.13 0.00 0.00 0.00 0.00 37.83 34.05 2kki s LYS 93 CO 0.04 -0.27 0.93 -1.83 0.00 0.00 0.00 175.35 174.22 2kki s GLU 94 N 2.04 3.36 -0.25 1.78 -1.05 -1.26 0.63 118.70 123.95 2kki s GLU 94 Ca 0.20 -1.58 -0.02 0.00 -0.15 0.00 0.00 54.97 53.42 2kki s GLU 94 Cb -0.15 -4.55 0.03 0.00 -0.44 0.00 0.00 34.13 29.01 2kki s GLU 94 CO 0.09 -1.65 -0.05 -1.64 0.95 0.00 0.00 175.26 172.96 2kki s MET 95 N 2.56 2.84 -0.02 -4.83 -1.94 -1.19 -4.95 119.30 111.78 2kki s MET 95 Ca 0.23 -0.97 -0.30 0.00 -1.71 0.00 0.00 55.69 52.93 2kki s MET 95 Cb -0.13 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 2kki s MET 95 CO -0.02 -0.41 1.28 -1.25 -0.01 0.00 0.00 175.02 174.62 2kki s PRO 96 N 1.33 4.33 0.34 2.03 0.04 -1.26 -4.70 135.00 137.12 2kki s PRO 96 Ca 0.00 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2kki s PRO 96 Cb -0.17 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.84 2kki s PRO 96 CO -0.04 -0.47 0.00 -1.91 0.04 0.00 0.00 177.00 174.62 2kki n GLU 97 N 5.10 -2.58 -2.10 4.56 2.13 -1.26 -4.82 120.64 121.67 2kki n GLU 97 Ca 0.12 1.98 -0.42 0.00 0.66 0.00 0.00 57.16 59.49 2kki n GLU 97 Cb 0.45 -2.38 -0.03 0.00 0.27 0.00 0.00 31.44 29.75 2kki n GLU 97 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2kki s ILE 98 N -4.22 3.74 0.45 6.31 -4.36 -1.26 -4.96 121.20 116.90 2kki s ILE 98 Ca 0.00 0.89 -0.24 0.00 -0.26 0.00 0.00 60.65 61.05 2kki s ILE 98 Cb 0.00 -3.58 -0.08 0.00 1.25 0.00 0.00 42.46 40.06 2kki s ILE 98 CO 0.00 -0.08 1.18 -2.84 0.24 0.00 0.00 174.94 173.44 2kki s PRO 99 N 3.92 3.82 -0.03 0.37 0.02 -1.26 -4.96 135.00 136.87 2kki s PRO 99 Ca 0.69 1.82 0.16 0.00 0.02 0.00 0.00 61.00 63.69 2kki s PRO 99 Cb -0.31 -2.48 -0.25 0.00 0.02 0.00 0.00 34.50 31.49 2kki s PRO 99 CO 0.26 -0.52 0.33 1.17 -0.33 0.00 0.00 177.00 177.92 2kki n LYS 100 N -0.35 0.58 -3.73 5.54 4.81 -1.26 -4.14 118.16 119.61 2kki n LYS 100 Ca 0.07 -0.14 -0.28 0.00 -0.87 0.00 0.00 58.31 57.09 2kki n LYS 100 Cb 0.47 -1.39 -0.16 0.00 0.02 0.00 0.00 35.03 33.97 2kki n LYS 100 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2kki s THR 101 N -3.07 0.58 -0.29 3.15 2.01 -1.26 -1.85 115.64 114.91 2kki s THR 101 Ca -0.06 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 2kki s THR 101 Cb 0.10 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 2kki s THR 101 CO 0.68 -0.32 0.11 -0.63 -0.69 0.00 0.00 174.62 173.76 2kki s ILE 102 N 1.82 4.39 -0.03 1.82 1.01 -0.62 -4.89 121.20 124.69 2kki s ILE 102 Ca 0.01 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.33 2kki s ILE 102 Cb -0.17 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 2kki s ILE 102 CO -0.13 0.17 -0.14 0.28 0.00 0.00 0.00 174.94 175.12 2kki s THR 103 N 1.60 1.19 0.00 2.92 -1.32 -1.26 -1.76 115.64 117.00 2kki s THR 103 Ca 0.05 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 2kki s THR 103 Cb -0.16 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 2kki s THR 103 CO 0.05 0.35 0.00 0.61 -2.21 0.00 0.00 174.62 173.41 2kki n GLY 104 N 3.13 0.00 0.29 6.08 0.00 -1.26 -3.44 105.19 109.99 2kki n GLY 104 Ca -0.18 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.02 2kki n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kki h SER 105 N 0.00 0.00 -0.02 1.61 4.64 -2.02 -2.11 113.55 115.65 2kki h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kki h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2kki h SER 105 CO 0.00 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 175.38 2kki n GLU 106 N -3.27 1.09 0.00 4.77 -0.58 -1.22 -3.83 120.64 117.60 2kki n GLU 106 Ca -0.01 -0.13 0.08 0.00 -0.42 0.00 0.00 57.16 56.67 2kki n GLU 106 Cb 0.21 -1.27 0.35 0.00 -0.57 0.00 0.00 31.44 30.15 2kki n GLU 106 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2kki n THR 107 N -0.63 0.85 0.18 2.62 5.66 -0.79 -1.65 114.28 120.51 2kki n THR 107 Ca 0.13 0.21 0.02 0.00 -3.05 0.00 0.00 64.05 61.36 2kki n THR 107 Cb 0.09 -0.94 0.35 0.00 -1.55 0.00 0.00 70.33 68.28 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 0.01 -0.58 1.09 2.35 -1.84 -3.17 115.58 113.43 2kki h ASN 108 Ca 0.00 -0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 2kki h ASN 108 Cb 0.25 -0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.44 2kki h ASN 108 CO 0.00 0.38 0.45 -0.11 -1.65 0.00 0.00 177.43 176.50 2kki n LEU 109 N -4.09 5.98 -4.82 1.61 7.94 -0.66 -2.23 117.00 120.72 2kki n LEU 109 Ca -0.02 -3.13 -0.36 0.00 -1.11 0.00 0.00 56.01 51.39 2kki n LEU 109 Cb 0.41 -0.87 -0.07 0.00 0.53 0.00 0.00 43.42 43.42 2kki n LEU 109 CO 0.39 1.05 -0.21 -1.48 -1.11 0.00 0.00 177.39 176.04 2kki s LEU 110 N -2.08 4.16 -0.07 -1.96 0.05 -1.20 -4.40 118.68 113.17 2kki s LEU 110 Ca 0.36 0.37 -0.03 0.00 0.05 0.00 0.00 54.13 54.88 2kki s LEU 110 Cb 0.29 -2.00 0.04 0.00 -2.05 0.00 0.00 46.19 42.47 2kki s LEU 110 CO 0.03 0.39 0.14 -0.36 -0.55 0.00 0.00 176.35 176.00 2kki s PHE 111 N -0.94 -0.13 -0.55 3.48 0.08 -1.10 -4.07 117.98 114.75 2kki s PHE 111 Ca 0.14 0.51 -0.25 0.00 0.12 0.00 0.00 56.93 57.45 2kki s PHE 111 Cb -0.12 -0.24 0.04 0.00 -0.57 0.00 0.00 43.02 42.13 2kki s PHE 111 CO 0.03 -0.23 1.00 0.12 -0.10 0.00 0.00 175.22 176.05 2kki s PHE 112 N 1.93 2.77 -0.50 0.36 5.36 0.37 -1.22 117.98 127.05 2kki s PHE 112 Ca -0.00 0.13 -0.20 0.00 -0.96 0.00 0.00 56.93 55.90 2kki s PHE 112 Cb -0.12 -4.16 0.05 0.00 -0.34 0.00 0.00 43.02 38.45 2kki s PHE 112 CO -0.05 -1.38 0.64 -0.46 -1.46 0.00 0.00 175.22 172.52 2kki s TRP 113 N 4.16 3.03 -0.39 10.12 -0.00 -1.25 -1.63 118.94 132.99 2kki s TRP 113 Ca 0.34 -0.45 -0.11 0.00 -0.00 0.00 0.00 56.10 55.88 2kki s TRP 113 Cb -0.11 -3.54 0.04 0.00 -0.00 0.00 0.00 33.47 29.86 2kki s TRP 113 CO 0.21 -1.03 0.22 -2.00 -0.00 0.00 0.00 176.95 174.36 2kki s GLU 114 N 2.73 2.78 -0.25 5.86 -6.30 -0.53 -4.94 118.70 118.04 2kki s GLU 114 Ca 0.17 -1.17 -0.11 0.00 -2.50 0.00 0.00 54.97 51.36 2kki s GLU 114 Cb -0.18 -3.76 -0.05 0.00 0.00 0.00 0.00 34.13 30.14 2kki s GLU 114 CO 0.13 -0.77 0.20 0.99 0.02 0.00 0.00 175.26 175.84 2kki s THR 115 N 1.53 5.32 -0.34 -1.70 2.01 -1.26 -0.64 115.64 120.56 2kki s THR 115 Ca 0.02 0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.26 2kki s THR 115 Cb -0.20 -3.54 0.11 0.00 0.01 0.00 0.00 72.50 68.88 2kki s THR 115 CO 0.06 0.29 0.13 -1.38 -0.69 0.00 0.00 174.62 173.03 2kki s HIS 116 N 1.40 1.76 0.00 4.92 -3.43 -0.01 -4.99 115.29 114.94 2kki s HIS 116 Ca 0.09 -1.89 0.00 0.00 -0.80 0.00 0.00 55.06 52.45 2kki s HIS 116 Cb -0.15 -1.74 0.00 0.00 -1.43 0.00 0.00 32.58 29.26 2kki s HIS 116 CO 0.07 -0.86 0.00 0.41 -2.00 0.00 0.00 174.74 172.37 2kki n GLY 117 N 4.54 1.53 0.17 -1.38 0.00 -1.26 -2.80 105.19 105.99 2kki n GLY 117 Ca 0.01 0.05 -0.17 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 1.21 -1.85 2.61 -2.24 -1.26 -5.00 114.28 107.75 2kki n THR 118 Ca 0.00 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 61.05 2kki n THR 118 Cb 0.00 -1.41 0.02 0.00 -2.10 0.00 0.00 70.33 66.84 2kki n THR 118 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kki s LYS 119 N -2.41 3.42 0.10 -0.78 1.02 -1.12 -3.86 119.74 116.10 2kki s LYS 119 Ca -0.29 0.86 -0.25 0.00 0.02 0.00 0.00 55.97 56.31 2kki s LYS 119 Cb 0.09 -2.06 0.07 0.00 -0.52 0.00 0.00 37.83 35.41 2kki s LYS 119 CO 0.45 -0.71 0.63 0.54 -0.92 0.00 0.00 175.35 175.34 2kki s ASN 120 N -3.86 -0.58 0.28 2.83 2.20 0.27 -0.83 114.94 115.25 2kki s ASN 120 Ca 0.57 0.18 0.08 0.00 -0.94 0.00 0.00 52.86 52.75 2kki s ASN 120 Cb -0.12 0.58 -0.04 0.00 -2.00 0.00 0.00 41.25 39.67 2kki s ASN 120 CO 0.51 -0.86 0.12 -0.31 -2.94 0.00 0.00 177.10 173.62 2kki s TYR 121 N -3.06 2.88 -0.32 1.54 2.02 0.18 -0.01 117.35 120.58 2kki s TYR 121 Ca -0.02 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2kki s TYR 121 Cb -0.01 -1.39 0.10 0.00 -0.40 0.00 0.00 41.96 40.26 2kki s TYR 121 CO -0.07 0.50 0.12 -0.06 -1.57 0.00 0.00 175.55 174.47 2kki s PHE 122 N -2.26 1.53 0.05 2.71 0.08 -1.22 -1.46 117.98 117.41 2kki s PHE 122 Ca 0.34 -1.68 -0.19 0.00 0.12 0.00 0.00 56.93 55.52 2kki s PHE 122 Cb -0.06 -1.60 -0.06 0.00 -0.57 0.00 0.00 43.02 40.72 2kki s PHE 122 CO 0.23 -0.86 0.55 0.99 -0.10 0.00 0.00 175.22 176.03 2kki s THR 123 N 1.56 4.81 -0.03 0.64 2.01 -0.64 -1.33 115.64 122.67 2kki s THR 123 Ca 0.11 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.98 2kki s THR 123 Cb -0.18 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2kki s THR 123 CO -0.24 0.53 1.42 -0.55 -0.69 0.00 0.00 174.62 175.10 2kki s SER 124 N -0.93 6.83 0.49 3.53 0.15 -0.66 0.14 113.70 123.25 2kki s SER 124 Ca 0.29 2.09 0.28 0.00 0.70 0.00 0.00 55.95 59.30 2kki s SER 124 Cb -0.19 -2.55 0.96 0.00 -1.71 0.00 0.00 66.02 62.52 2kki s SER 124 CO 0.18 -0.75 1.83 0.58 1.20 0.00 0.00 173.24 176.28 2kki h VAL 125 N 5.07 0.17 -0.02 4.45 2.07 -1.90 -2.08 116.25 124.01 2kki h VAL 125 Ca -0.37 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 2kki h VAL 125 Cb 1.17 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2kki h VAL 125 CO 0.92 0.07 -0.20 0.00 0.02 0.00 0.00 177.57 178.38 2kki h ALA 126 N 1.92 0.05 -2.31 1.67 0.00 -1.87 -3.45 119.26 115.27 2kki h ALA 126 Ca -0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 2kki h ALA 126 Cb 0.73 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.19 2kki h ALA 126 CO 0.01 0.05 -0.55 -1.01 0.00 0.00 0.00 179.25 177.75 2kki s HIS 127 N -3.40 -0.51 0.41 0.00 3.76 -0.97 -5.02 115.29 109.56 2kki s HIS 127 Ca -0.16 0.56 0.26 0.00 -0.15 0.00 0.00 55.06 55.58 2kki s HIS 127 Cb 0.01 -0.17 1.37 0.00 1.11 0.00 0.00 32.58 34.90 2kki s HIS 127 CO 0.73 -0.62 1.62 -1.35 -0.85 0.00 0.00 174.74 174.27 2kki h PRO 128 N 8.26 0.09 0.00 8.40 0.11 -1.70 -0.26 132.00 146.90 2kki h PRO 128 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2kki h PRO 128 Cb 1.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2kki h PRO 128 CO 0.26 0.06 0.00 -1.71 -0.21 0.00 0.00 178.00 176.40 2kki n ASN 129 N -4.87 0.00 -4.76 -2.05 2.85 -1.26 -3.86 115.26 101.32 2kki n ASN 129 Ca 0.37 0.43 -0.36 0.00 -0.11 0.00 0.00 54.58 54.91 2kki n ASN 129 Cb 1.35 -0.46 -0.07 0.00 1.24 0.00 0.00 39.78 41.84 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 -2.91 4.26 -0.15 1.20 1.02 -0.11 -1.38 118.68 120.62 2kki s LEU 130 Ca 0.04 0.41 -0.13 0.00 0.02 0.00 0.00 54.13 54.47 2kki s LEU 130 Cb 0.05 -2.22 0.04 0.00 0.02 0.00 0.00 46.19 44.08 2kki s LEU 130 CO 0.13 0.19 0.39 0.12 0.02 0.00 0.00 176.35 177.20 2kki s PHE 131 N 0.12 -0.45 -0.65 0.29 2.19 0.65 -1.66 117.98 118.48 2kki s PHE 131 Ca 0.13 1.07 -0.23 0.00 0.33 0.00 0.00 56.93 58.23 2kki s PHE 131 Cb -0.12 0.16 0.06 0.00 -1.31 0.00 0.00 43.02 41.81 2kki s PHE 131 CO 0.02 -0.22 0.98 0.42 1.83 0.00 0.00 175.22 178.24 2kki s ILE 132 N 0.34 4.30 0.23 3.12 -1.09 -0.44 -2.59 121.20 125.07 2kki s ILE 132 Ca -0.01 -0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.16 2kki s ILE 132 Cb -0.03 -4.67 -0.05 0.00 -1.58 0.00 0.00 42.46 36.13 2kki s ILE 132 CO -0.01 -1.42 0.46 0.00 -1.23 0.00 0.00 174.94 172.74 2kki s ALA 133 N 4.13 3.73 -0.07 9.38 0.00 -0.72 -4.31 121.76 133.90 2kki s ALA 133 Ca 0.24 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.55 2kki s ALA 133 Cb -0.16 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2kki s ALA 133 CO 0.12 0.38 -0.14 0.99 0.00 0.00 0.00 175.76 177.11 2kki s THR 134 N -1.94 1.23 0.04 0.00 2.01 0.33 -3.83 115.64 113.48 2kki s THR 134 Ca 0.41 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.91 2kki s THR 134 Cb -0.11 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 2kki s THR 134 CO 0.29 0.37 -0.05 -0.54 -0.69 0.00 0.00 174.62 174.01 2kki s LYS 135 N 0.57 2.51 0.21 4.92 -0.14 -1.26 -2.18 119.74 124.38 2kki s LYS 135 Ca -0.14 -0.79 0.12 0.00 -1.36 0.00 0.00 55.97 53.81 2kki s LYS 135 Cb -0.15 -2.50 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 2kki s LYS 135 CO 0.04 0.57 1.35 0.37 -0.76 0.00 0.00 175.35 176.93 2kki h GLN 136 N 4.08 0.00 0.00 1.68 4.15 -1.95 -3.37 115.11 119.70 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 0.55 0.66 -0.57 -3.47 -1.93 0.00 0.00 178.83 174.07 2kki n ASP 137 N -3.25 2.76 -4.19 -0.69 2.03 -1.26 -4.77 116.55 107.17 2kki n ASP 137 Ca 0.01 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.15 2kki n ASP 137 Cb 0.81 0.23 0.07 0.00 -0.72 0.00 0.00 41.12 41.52 2kki n ASP 137 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kki n TYR 138 N -1.50 -2.69 -1.72 -0.67 4.01 -1.26 -4.93 117.16 108.40 2kki n TYR 138 Ca 0.00 -1.55 -0.32 0.00 -0.16 0.00 0.00 57.90 55.86 2kki n TYR 138 Cb 0.29 -0.49 0.04 0.00 -0.31 0.00 0.00 39.34 38.87 2kki n TYR 138 CO 0.00 0.00 0.00 1.67 -0.46 0.00 0.00 176.86 178.07 2kki s TRP 139 N -2.07 2.82 -0.50 -0.72 -2.14 -1.26 -4.02 118.94 111.05 2kki s TRP 139 Ca 0.50 1.51 -0.27 0.00 2.66 0.00 0.00 56.10 60.50 2kki s TRP 139 Cb -0.03 -3.04 -0.01 0.00 -3.10 0.00 0.00 33.47 27.28 2kki s TRP 139 CO 0.32 -1.44 1.75 0.08 -2.66 0.00 0.00 176.95 175.01 2kki s VAL 140 N -2.61 3.49 0.00 -0.66 1.01 0.59 -4.53 120.40 117.68 2kki s VAL 140 Ca 0.63 0.40 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2kki s VAL 140 Cb -0.17 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2kki s VAL 140 CO 0.45 -0.78 0.00 0.00 0.00 0.00 0.00 175.10 174.78 2kki s LEU 142 N 0.00 2.47 0.22 0.00 2.96 -1.24 -1.76 118.68 121.33 2kki s LEU 142 Ca 0.00 -0.94 -0.22 0.00 -0.22 0.00 0.00 54.13 52.74 2kki s LEU 142 Cb 0.00 0.13 0.04 0.00 0.50 0.00 0.00 46.19 46.87 2kki s LEU 142 CO 0.00 -0.54 0.71 0.00 -1.32 0.00 0.00 176.35 175.20 2kki s ALA 143 N -3.58 -1.40 -0.27 5.97 0.00 -1.07 -2.26 121.76 119.15 2kki s ALA 143 Ca 0.05 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.07 2kki s ALA 143 Cb 0.05 0.83 0.40 0.00 0.00 0.00 0.00 23.12 24.40 2kki s ALA 143 CO -0.08 -0.94 1.54 0.41 0.00 0.00 0.00 175.76 176.69 2kki n GLY 144 N -0.43 3.46 0.00 0.00 0.00 -0.48 -0.25 105.19 107.50 2kki n GLY 144 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.46 1.03 3.44 -0.02 0.00 -1.26 -4.49 105.19 103.43 2kki n GLY 145 Ca 0.35 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 2kki n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kki s PRO 146 N -0.44 3.32 0.00 1.61 0.04 -1.26 -4.75 135.00 133.52 2kki s PRO 146 Ca 0.00 -0.63 0.09 0.00 0.04 0.00 0.00 61.00 60.50 2kki s PRO 146 Cb 0.00 -2.68 -0.06 0.00 0.04 0.00 0.00 34.50 31.80 2kki s PRO 146 CO 0.00 0.31 0.45 -0.35 0.04 0.00 0.00 177.00 177.45 2kki n PRO 147 N 3.28 3.41 -3.01 0.56 -0.04 -1.26 -5.00 135.00 132.94 2kki n PRO 147 Ca -0.18 -0.21 -0.35 0.00 -0.04 0.00 0.00 63.50 62.73 2kki n PRO 147 Cb 0.53 -0.96 -0.06 0.00 -0.04 0.00 0.00 33.50 32.96 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 -1.64 7.02 -0.89 3.54 0.01 -1.26 -4.99 113.70 115.50 2kki s SER 148 Ca 0.05 1.50 -0.25 0.00 1.31 0.00 0.00 55.95 58.56 2kki s SER 148 Cb 0.07 -2.45 0.04 0.00 0.21 0.00 0.00 66.02 63.88 2kki s SER 148 CO 0.31 -0.11 1.38 -0.63 0.41 0.00 0.00 173.24 174.61 2kki s ILE 149 N -1.76 3.82 -0.28 1.44 1.09 -0.93 -4.73 121.20 119.85 2kki s ILE 149 Ca 0.50 -0.21 -0.00 0.00 -1.10 0.00 0.00 60.65 59.84 2kki s ILE 149 Cb -0.14 -4.97 0.23 0.00 -1.06 0.00 0.00 42.46 36.52 2kki s ILE 149 CO 0.19 -1.88 1.86 0.35 -0.10 0.00 0.00 174.94 175.36 2kki n THR 150 N 6.67 2.55 -3.64 2.92 -2.24 -1.26 0.12 114.28 119.40 2kki n THR 150 Ca 0.19 -1.41 -0.33 0.00 -2.27 0.00 0.00 64.05 60.23 2kki n THR 150 Cb 0.50 -1.19 -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 0.17 6.56 0.23 3.42 1.01 -1.26 -4.03 116.67 122.77 2kki s ASP 151 Ca 0.29 0.68 0.00 0.00 0.71 0.00 0.00 52.55 54.22 2kki s ASP 151 Cb 0.23 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.99 2kki s ASP 151 CO 0.01 0.13 0.12 -0.36 0.21 0.00 0.00 175.17 175.28 2kki s PHE 152 N -1.50 1.32 -0.16 4.23 0.08 0.98 -3.71 117.98 119.23 2kki s PHE 152 Ca 0.36 -1.32 -0.18 0.00 0.12 0.00 0.00 56.93 55.91 2kki s PHE 152 Cb -0.13 -0.69 0.05 0.00 -0.57 0.00 0.00 43.02 41.68 2kki s PHE 152 CO 0.20 -0.53 0.50 -0.65 -0.10 0.00 0.00 175.22 174.64 2kki s GLN 153 N -4.09 0.63 -0.42 0.44 -0.21 0.41 0.97 119.66 117.38 2kki s GLN 153 Ca 0.39 0.59 -0.19 0.00 0.02 0.00 0.00 55.36 56.16 2kki s GLN 153 Cb 0.07 0.30 0.02 0.00 1.00 0.00 0.00 33.01 34.41 2kki s GLN 153 CO 0.13 -0.10 0.53 0.96 -2.12 0.00 0.00 175.29 174.69 2kki s ILE 154 N 0.01 4.97 -0.23 1.08 -4.36 -1.25 -2.48 121.20 118.94 2kki s ILE 154 Ca -0.02 -0.10 -0.05 0.00 -0.26 0.00 0.00 60.65 60.22 2kki s ILE 154 Cb -0.03 -4.11 -0.02 0.00 1.25 0.00 0.00 42.46 39.55 2kki s ILE 154 CO 0.02 -0.49 -0.01 -0.76 0.24 0.00 0.00 174.94 173.94 2kki s LEU 155 N 2.46 3.08 0.46 0.37 1.43 0.49 -4.90 118.68 122.07 2kki s LEU 155 Ca 0.17 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2kki s LEU 155 Cb -0.16 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 2kki s LEU 155 CO 0.16 -0.02 0.79 -0.70 0.23 0.00 0.00 176.35 176.82 2kki s GLU 156 N 1.47 3.65 0.66 1.70 2.12 -1.26 -0.81 118.70 126.23 2kki s GLU 156 Ca 0.05 0.35 -0.07 0.00 0.36 0.00 0.00 54.97 55.67 2kki s GLU 156 Cb -0.15 -2.36 0.04 0.00 0.26 0.00 0.00 34.13 31.92 2kki s GLU 156 CO -0.01 -0.16 0.98 0.54 -0.54 0.00 0.00 175.26 176.08 2kki s ASN 157 N -3.70 5.13 -0.07 -1.70 4.22 -1.26 -4.72 114.94 112.85 2kki s ASN 157 Ca 0.50 0.59 -0.20 0.00 -2.14 0.00 0.00 52.86 51.61 2kki s ASN 157 Cb -0.10 -1.37 -0.15 0.00 1.28 0.00 0.00 41.25 40.90 2kki s ASN 157 CO 0.40 -1.39 0.77 -0.61 -2.04 0.00 0.00 177.10 174.23 2kki h GLN 158 N -0.45 -0.16 0.00 3.55 4.15 -1.90 -3.48 115.11 116.82 2kki h GLN 158 Ca -0.45 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2kki h GLN 158 Cb 1.29 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.02 2kki h GLN 158 CO 0.61 0.29 0.00 0.00 -1.93 0.00 0.00 178.83 177.80