#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 5.29 -0.16 2.41 1.01 -1.26 -4.92 120.40 122.77 2kki s VAL 10 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 2kki s VAL 10 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2kki s VAL 10 CO 0.00 0.27 0.07 -0.75 0.00 0.00 0.00 175.10 174.69 2kki s LYS 11 N 1.47 3.82 -0.20 2.72 2.47 -1.25 -5.03 119.74 123.74 2kki s LYS 11 Ca 0.10 -0.32 -0.04 0.00 -1.56 0.00 0.00 55.97 54.15 2kki s LYS 11 Cb -0.15 -3.17 -0.02 0.00 -1.46 0.00 0.00 37.83 33.04 2kki s LYS 11 CO 0.08 0.38 -0.04 0.71 0.16 0.00 0.00 175.35 176.64 2kki s TYR 12 N 0.07 2.97 -0.44 4.03 1.51 -1.25 0.60 117.35 124.84 2kki s TYR 12 Ca 0.06 -0.70 -0.04 0.00 -1.01 0.00 0.00 57.07 55.37 2kki s TYR 12 Cb -0.12 -2.06 0.12 0.00 -0.11 0.00 0.00 41.96 39.79 2kki s TYR 12 CO 0.01 -0.37 0.26 0.54 -1.11 0.00 0.00 175.55 174.87 2kki s ASN 13 N 1.12 5.35 -0.23 2.29 6.03 0.01 -4.13 114.94 125.37 2kki s ASN 13 Ca 0.02 -2.09 -0.17 0.00 -1.03 0.00 0.00 52.86 49.59 2kki s ASN 13 Cb -0.15 -1.87 -0.03 0.00 -3.03 0.00 0.00 41.25 36.17 2kki s ASN 13 CO -0.00 -0.56 0.45 0.12 -2.03 0.00 0.00 177.10 175.08 2kki s PHE 14 N 1.07 3.32 0.00 1.54 5.36 -0.36 -3.68 117.98 125.23 2kki s PHE 14 Ca 0.09 0.61 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 2kki s PHE 14 Cb -0.23 -2.62 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 2kki s PHE 14 CO -0.03 -0.15 0.00 -0.12 -1.46 0.00 0.00 175.22 173.46 2kki n MET 15 N 5.01 0.00 -3.59 10.12 0.00 -0.95 -2.90 117.12 124.81 2kki n MET 15 Ca -0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 57.70 57.58 2kki n MET 15 Cb 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 33.22 33.63 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 -0.67 0.40 -0.27 2.12 1.04 0.35 -4.95 118.95 116.96 2kki s ARG 16 Ca 0.00 -0.04 -0.29 0.00 -1.04 0.00 0.00 55.73 54.36 2kki s ARG 16 Cb 0.00 0.19 0.01 0.00 -2.04 0.00 0.00 34.95 33.11 2kki s ARG 16 CO 0.00 -0.15 1.06 -1.50 -0.04 0.00 0.00 175.30 174.67 2kki s ILE 17 N -1.85 4.58 0.00 4.99 1.10 -1.26 -0.60 121.20 128.15 2kki s ILE 17 Ca 0.06 1.87 0.00 0.00 -0.51 0.00 0.00 60.65 62.07 2kki s ILE 17 Cb -0.01 -4.36 0.00 0.00 0.15 0.00 0.00 42.46 38.24 2kki s ILE 17 CO -0.04 -0.33 0.00 -0.38 -2.11 0.00 0.00 174.94 172.08 2kki n ILE 18 N 5.61 0.00 -3.90 2.00 5.41 -1.12 -4.90 119.36 122.46 2kki n ILE 18 Ca 0.12 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.66 2kki n ILE 18 Cb 0.47 0.00 -0.03 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 1.99 2.87 0.09 0.38 1.02 -1.08 -4.94 119.74 120.07 2kki s LYS 19 Ca 0.00 -1.15 -0.11 0.00 0.02 0.00 0.00 55.97 54.73 2kki s LYS 19 Cb 0.00 -2.56 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 2kki s LYS 19 CO 0.00 0.22 0.24 1.52 -0.92 0.00 0.00 175.35 176.41 2kki s TYR 20 N -2.21 0.06 -1.39 3.18 1.13 -1.26 -0.72 117.35 116.13 2kki s TYR 20 Ca 0.38 -0.43 -0.09 0.00 -1.41 0.00 0.00 57.07 55.51 2kki s TYR 20 Cb -0.07 0.02 0.03 0.00 -1.10 0.00 0.00 41.96 40.84 2kki s TYR 20 CO 0.26 -0.57 1.09 -1.91 -2.51 0.00 0.00 175.55 171.92 2kki n GLU 21 N -0.01 -7.02 -4.03 -3.49 2.13 -0.51 -4.95 120.64 102.76 2kki n GLU 21 Ca -0.16 0.75 -0.25 0.00 0.66 0.00 0.00 57.16 58.16 2kki n GLU 21 Cb 0.62 -5.74 -0.04 0.00 0.27 0.00 0.00 31.44 26.55 2kki n GLU 21 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2kki s PHE 22 N -3.34 3.28 -0.17 4.31 -0.12 -0.99 -4.90 117.98 116.05 2kki s PHE 22 Ca 0.53 0.02 -0.11 0.00 -0.05 0.00 0.00 56.93 57.32 2kki s PHE 22 Cb -0.24 -1.55 -0.05 0.00 -0.63 0.00 0.00 43.02 40.54 2kki s PHE 22 CO 0.76 0.51 0.18 0.42 -0.05 0.00 0.00 175.22 177.05 2kki s ILE 23 N -1.80 5.39 -0.27 -4.49 -1.09 -0.38 -1.86 121.20 116.70 2kki s ILE 23 Ca 0.33 0.31 -0.12 0.00 -2.23 0.00 0.00 60.65 58.94 2kki s ILE 23 Cb -0.10 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 2kki s ILE 23 CO 0.26 0.46 0.24 -0.22 -1.23 0.00 0.00 174.94 174.45 2kki s LEU 24 N 0.08 4.05 0.03 2.97 0.20 -1.26 -0.92 118.68 123.83 2kki s LEU 24 Ca 0.12 0.11 0.01 0.00 0.69 0.00 0.00 54.13 55.06 2kki s LEU 24 Cb -0.12 -2.21 -0.02 0.00 -0.43 0.00 0.00 46.19 43.41 2kki s LEU 24 CO 0.01 -0.06 -0.06 0.54 -0.29 0.00 0.00 176.35 176.50 2kki s ASN 25 N 1.56 0.59 0.72 3.68 4.22 -1.19 -0.72 114.94 123.81 2kki s ASN 25 Ca 0.10 -0.48 -0.02 0.00 -2.14 0.00 0.00 52.86 50.32 2kki s ASN 25 Cb -0.15 0.05 0.13 0.00 1.28 0.00 0.00 41.25 42.56 2kki s ASN 25 CO 0.09 -0.21 0.88 -0.90 -2.04 0.00 0.00 177.10 174.93 2kki n ASP 26 N 1.69 1.05 0.25 3.54 5.68 -1.21 0.14 116.55 127.69 2kki n ASP 26 Ca -0.22 -1.92 0.16 0.00 -0.50 0.00 0.00 54.79 52.31 2kki n ASP 26 Cb 0.55 -0.59 0.62 0.00 -1.14 0.00 0.00 41.12 40.56 2kki n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kki h ALA 27 N -0.71 1.00 0.00 2.12 0.00 -1.85 0.47 119.26 120.29 2kki h ALA 27 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2kki h ALA 27 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kki h ALA 27 CO 0.30 0.00 -0.13 -0.07 0.00 0.00 0.00 179.25 179.35 2kki h LEU 28 N 0.00 0.00 -2.47 0.00 3.38 -1.92 -3.48 115.31 110.83 2kki h LEU 28 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kki h LEU 28 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kki h LEU 28 CO 0.00 0.13 -0.19 0.59 0.09 0.00 0.00 178.44 179.07 2kki n ASN 29 N -3.29 -6.64 -3.85 -0.43 5.03 0.16 -5.01 115.26 101.23 2kki n ASN 29 Ca 0.00 0.17 -0.28 0.00 0.87 0.00 0.00 54.58 55.34 2kki n ASN 29 Cb 0.38 -4.44 -0.16 0.00 -1.02 0.00 0.00 39.78 34.54 2kki n ASN 29 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2kki s GLN 30 N -2.66 1.20 -0.07 3.52 -1.52 -1.26 -3.99 119.66 114.89 2kki s GLN 30 Ca 0.09 -0.60 -0.30 0.00 -1.95 0.00 0.00 55.36 52.61 2kki s GLN 30 Cb -0.03 -2.17 -0.05 0.00 -0.22 0.00 0.00 33.01 30.54 2kki s GLN 30 CO 0.60 -0.54 1.65 -1.54 -0.25 0.00 0.00 175.29 175.21 2kki s SER 31 N 1.65 6.65 -0.59 5.90 1.04 0.11 -3.29 113.70 125.17 2kki s SER 31 Ca -0.02 2.19 -0.28 0.00 0.48 0.00 0.00 55.95 58.33 2kki s SER 31 Cb -0.17 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.43 2kki s SER 31 CO -0.07 -0.95 1.42 0.27 0.98 0.00 0.00 173.24 174.89 2kki s ILE 32 N 4.13 3.76 0.07 -1.02 -4.36 0.11 -1.11 121.20 122.78 2kki s ILE 32 Ca 0.73 0.62 -0.00 0.00 -0.26 0.00 0.00 60.65 61.74 2kki s ILE 32 Cb -0.33 -4.47 -0.04 0.00 1.25 0.00 0.00 42.46 38.87 2kki s ILE 32 CO 0.29 -1.24 0.23 -0.63 0.24 0.00 0.00 174.94 173.83 2kki s ILE 33 N 6.17 5.37 -0.36 8.37 1.01 -0.85 -3.05 121.20 137.86 2kki s ILE 33 Ca 0.51 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 2kki s ILE 33 Cb -0.10 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2kki s ILE 33 CO 0.24 0.13 1.23 -0.60 0.00 0.00 0.00 174.94 175.93 2kki s ARG 34 N -2.54 3.87 -0.11 2.79 3.52 -1.26 -2.38 118.95 122.84 2kki s ARG 34 Ca 0.36 1.02 0.04 0.00 -0.13 0.00 0.00 55.73 57.02 2kki s ARG 34 Cb -0.13 -3.87 -0.24 0.00 -1.56 0.00 0.00 34.95 29.15 2kki s ARG 34 CO 0.28 -1.18 0.41 0.00 -0.81 0.00 0.00 175.30 173.99 2kki n ALA 35 N 7.64 1.24 -2.23 6.12 0.00 -1.10 -4.94 120.51 127.26 2kki n ALA 35 Ca 0.14 -0.78 -0.08 0.00 0.00 0.00 0.00 53.44 52.72 2kki n ALA 35 Cb 0.47 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.18 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 -6.46 0.35 0.00 0.00 3.84 0.05 -5.00 114.94 107.72 2kki s ASN 36 Ca -0.15 -0.98 0.16 0.00 0.21 0.00 0.00 52.86 52.09 2kki s ASN 36 Cb 0.07 0.26 0.72 0.00 -0.55 0.00 0.00 41.25 41.76 2kki s ASN 36 CO 0.78 -0.67 1.48 -0.90 -2.79 0.00 0.00 177.10 175.00 2kki n ASP 37 N 0.01 0.00 0.00 -4.21 5.75 -1.26 -2.79 116.55 114.05 2kki n ASP 37 Ca -0.12 0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 2kki n ASP 37 Cb 0.62 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 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 -1.42 1.40 -4.81 0.11 6.02 -1.26 -4.77 117.38 112.64 2kki n GLN 38 Ca 0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.78 2kki n GLN 38 Cb 0.16 -0.95 -0.15 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.84 1.88 -0.07 1.08 2.02 -1.12 -3.34 117.35 115.95 2kki s TYR 39 Ca 0.00 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 2kki s TYR 39 Cb 0.00 -1.15 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2kki s TYR 39 CO 0.00 0.05 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.70 2kki s LEU 40 N -0.92 1.79 -0.05 -1.29 0.20 -1.26 -0.77 118.68 116.39 2kki s LEU 40 Ca 0.08 -0.38 0.06 0.00 0.69 0.00 0.00 54.13 54.59 2kki s LEU 40 Cb -0.09 -1.00 -0.02 0.00 -0.43 0.00 0.00 46.19 44.66 2kki s LEU 40 CO 0.01 0.08 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.02 2kki s THR 41 N 0.52 2.22 0.07 3.68 2.01 -1.00 -0.79 115.64 122.35 2kki s THR 41 Ca -0.15 -1.02 -0.18 0.00 0.31 0.00 0.00 61.69 60.65 2kki s THR 41 Cb -0.16 -1.81 -0.07 0.00 0.01 0.00 0.00 72.50 70.48 2kki s THR 41 CO 0.05 0.57 0.54 0.00 -0.69 0.00 0.00 174.62 175.10 2kki s ALA 42 N -0.38 3.61 -0.12 7.40 0.00 -1.25 -2.01 121.76 129.00 2kki s ALA 42 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 2kki s ALA 42 Cb -0.12 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 20.45 2kki s ALA 42 CO 0.02 0.42 0.31 0.00 0.00 0.00 0.00 175.76 176.50 2kki s ALA 43 N -1.12 -0.76 0.12 0.00 0.00 -0.26 -4.62 121.76 115.11 2kki s ALA 43 Ca 0.29 1.01 -0.33 0.00 0.00 0.00 0.00 51.96 52.93 2kki s ALA 43 Cb -0.19 -0.61 -0.12 0.00 0.00 0.00 0.00 23.12 22.20 2kki s ALA 43 CO 0.18 -0.18 1.74 0.00 0.00 0.00 0.00 175.76 177.50 2kki n ALA 44 N 3.48 1.80 -1.56 0.00 0.00 -1.26 0.08 120.51 123.06 2kki n ALA 44 Ca -0.18 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 2kki n ALA 44 Cb 0.56 -2.49 0.04 0.00 0.00 0.00 0.00 19.45 17.56 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 2.08 3.39 0.00 0.00 -0.00 -1.26 -4.79 118.68 118.10 2kki s LEU 45 Ca 0.81 1.90 0.00 0.00 -0.00 0.00 0.00 54.13 56.84 2kki s LEU 45 Cb -0.59 -4.54 0.00 0.00 -0.00 0.00 0.00 46.19 41.07 2kki s LEU 45 CO 0.39 -1.47 0.00 1.41 -0.00 0.00 0.00 176.35 176.68 2kki n HIS 46 N -2.38 0.00 0.99 3.48 8.25 -1.26 -4.71 115.22 119.59 2kki n HIS 46 Ca 0.09 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.68 2kki n HIS 46 Cb 0.52 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.85 2kki n HIS 46 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kki n ASN 47 N -0.11 2.71 0.00 0.41 3.02 -1.26 -4.98 115.26 115.06 2kki n ASN 47 Ca 0.00 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 2kki n ASN 47 Cb 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2kki n ASN 47 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2kki n LEU 48 N 1.09 0.00 -4.56 3.41 4.77 -1.26 -3.92 117.00 116.53 2kki n LEU 48 Ca 0.16 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.76 2kki n LEU 48 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2kki n LEU 48 CO 0.15 0.00 1.45 -0.62 -1.33 0.00 0.00 177.39 177.04 2kki s ASP 49 N 0.00 6.21 0.00 -1.43 -1.08 -1.26 -4.23 116.67 114.88 2kki s ASP 49 Ca 0.00 -1.27 0.00 0.00 -0.52 0.00 0.00 52.55 50.76 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 -1.77 0.00 1.21 0.52 0.00 0.00 175.17 175.13 2kki n GLU 50 N 8.89 0.00 -2.23 4.34 4.07 -1.26 -5.00 120.64 129.45 2kki n GLU 50 Ca 0.34 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 57.16 2kki n GLU 50 Cb 0.50 -0.47 0.04 0.00 -0.06 0.00 0.00 31.44 31.45 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 3.17 0.12 4.31 0.00 -1.26 -4.86 121.76 122.23 2kki s ALA 51 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.08 2kki s ALA 51 Cb 0.00 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 2kki s ALA 51 CO 0.00 -0.90 1.36 0.14 0.00 0.00 0.00 175.76 176.36 2kki s VAL 52 N -3.11 3.38 -0.13 0.00 -7.23 -1.17 -4.89 120.40 107.25 2kki s VAL 52 Ca 0.55 1.00 -0.15 0.00 -1.81 0.00 0.00 61.98 61.58 2kki s VAL 52 Cb -0.11 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.14 2kki s VAL 52 CO 0.47 0.08 0.35 -1.59 -0.31 0.00 0.00 175.10 174.10 2kki s LYS 53 N 1.00 4.22 0.38 4.82 -2.85 -1.26 -4.37 119.74 121.68 2kki s LYS 53 Ca 0.63 0.21 0.07 0.00 -1.00 0.00 0.00 55.97 55.88 2kki s LYS 53 Cb -0.36 -3.40 -0.00 0.00 -2.06 0.00 0.00 37.83 32.01 2kki s LYS 53 CO 0.31 0.28 0.50 -0.06 0.10 0.00 0.00 175.35 176.48 2kki s PHE 54 N 0.31 2.91 -0.04 1.78 0.40 -0.78 0.33 117.98 122.90 2kki s PHE 54 Ca 0.19 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 2kki s PHE 54 Cb -0.14 -2.20 0.02 0.00 0.51 0.00 0.00 43.02 41.22 2kki s PHE 54 CO 0.06 -0.22 -0.02 -0.51 0.70 0.00 0.00 175.22 175.24 2kki s ASP 55 N -4.25 0.68 -0.10 1.36 1.01 0.17 -1.43 116.67 114.11 2kki s ASP 55 Ca 0.50 -0.07 -0.01 0.00 0.71 0.00 0.00 52.55 53.68 2kki s ASP 55 Cb -0.09 -0.32 -0.03 0.00 1.01 0.00 0.00 42.92 43.49 2kki s ASP 55 CO 0.32 -0.09 -0.05 0.00 0.21 0.00 0.00 175.17 175.56 2kki s MET 56 N 1.01 3.10 -0.05 8.23 0.23 0.11 -2.34 119.30 129.59 2kki s MET 56 Ca -0.10 -0.52 0.00 0.00 -1.03 0.00 0.00 55.69 54.05 2kki s MET 56 Cb -0.14 -2.73 0.02 0.00 -1.53 0.00 0.00 34.83 30.46 2kki s MET 56 CO -0.01 0.53 -0.03 0.20 -2.03 0.00 0.00 175.02 173.68 2kki s GLY 57 N -0.43 0.41 0.10 3.16 0.00 -1.09 -2.64 107.32 106.82 2kki s GLY 57 Ca 0.07 -0.02 -0.24 0.00 0.00 0.00 0.00 44.72 44.53 2kki s GLY 57 CO 0.02 0.60 0.73 0.00 0.00 0.00 0.00 173.10 174.45 2kki s ALA 58 N 1.12 3.45 0.04 3.20 0.00 0.23 0.03 121.76 129.83 2kki s ALA 58 Ca -0.08 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2kki s ALA 58 Cb -0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 2kki s ALA 58 CO -0.01 0.22 -0.05 0.71 0.00 0.00 0.00 175.76 176.63 2kki s TYR 59 N -0.70 0.49 -0.02 0.00 2.02 0.03 -0.50 117.35 118.66 2kki s TYR 59 Ca 0.35 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2kki s TYR 59 Cb -0.21 -0.32 0.03 0.00 -0.40 0.00 0.00 41.96 41.06 2kki s TYR 59 CO 0.23 -0.19 0.02 0.21 -1.57 0.00 0.00 175.55 174.26 2kki s LYS 60 N -2.18 0.08 0.13 -0.62 2.20 -1.14 -3.92 119.74 114.29 2kki s LYS 60 Ca -0.07 0.15 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 2kki s LYS 60 Cb -0.05 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.89 2kki s LYS 60 CO -0.03 -0.16 -0.10 -1.54 -0.36 0.00 0.00 175.35 173.16 2kki s SER 61 N 1.08 1.68 -0.24 1.43 1.04 -1.26 -3.37 113.70 114.06 2kki s SER 61 Ca -0.09 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 55.36 2kki s SER 61 Cb -0.13 -0.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 2kki s SER 61 CO -0.03 -0.31 2.95 -1.20 0.98 0.00 0.00 173.24 175.64 2kki n SER 62 N 0.07 5.93 -1.22 7.02 7.64 -1.26 -3.71 113.62 128.09 2kki n SER 62 Ca -0.12 -2.86 -0.02 0.00 1.01 0.00 0.00 58.87 56.88 2kki n SER 62 Cb 0.60 -1.27 0.13 0.00 -1.01 0.00 0.00 64.21 62.65 2kki n SER 62 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kki n LYS 63 N 1.47 1.85 0.00 1.43 5.02 -1.26 -5.04 118.16 121.62 2kki n LYS 63 Ca 0.41 -3.33 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 2kki n LYS 63 Cb 0.69 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 2kki n LYS 63 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kki n ASP 64 N -0.75 0.00 0.00 4.39 9.92 -1.24 -4.80 116.55 124.07 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 0.83 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 2kki n ASP 64 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kki n ASP 65 N 0.00 0.00 -0.27 -2.24 2.03 -1.26 -4.92 116.55 109.89 2kki n ASP 65 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 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 -1.57 2.08 -3.16 -1.67 0.00 -1.26 -5.08 120.51 109.85 2kki n ALA 66 Ca 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 53.44 51.59 2kki n ALA 66 Cb 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 2kki n ALA 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kki s LYS 67 N -1.34 0.51 0.20 0.00 2.47 -1.26 -5.15 119.74 115.16 2kki s LYS 67 Ca 0.15 -0.13 0.07 0.00 -1.56 0.00 0.00 55.97 54.49 2kki s LYS 67 Cb 0.13 0.22 -0.04 0.00 -1.46 0.00 0.00 37.83 36.68 2kki s LYS 67 CO 0.01 -0.12 0.05 0.42 0.16 0.00 0.00 175.35 175.87 2kki s ILE 68 N -0.98 3.90 -0.11 5.43 -1.09 -1.26 -4.69 121.20 122.39 2kki s ILE 68 Ca -0.11 -1.44 -0.05 0.00 -2.23 0.00 0.00 60.65 56.83 2kki s ILE 68 Cb -0.05 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 2kki s ILE 68 CO 0.02 -0.18 0.06 0.28 -1.23 0.00 0.00 174.94 173.89 2kki s THR 69 N -1.87 4.80 0.32 2.92 -1.32 -1.24 -3.77 115.64 115.46 2kki s THR 69 Ca 0.29 -0.06 0.11 0.00 -1.21 0.00 0.00 61.69 60.82 2kki s THR 69 Cb -0.09 -3.07 -0.06 0.00 -1.51 0.00 0.00 72.50 67.78 2kki s THR 69 CO 0.20 0.59 -0.13 0.68 -2.21 0.00 0.00 174.62 173.75 2kki s VAL 70 N -0.72 2.38 -0.18 5.08 -7.23 -0.74 -0.79 120.40 118.20 2kki s VAL 70 Ca 0.12 -2.28 -0.05 0.00 -1.81 0.00 0.00 61.98 57.96 2kki s VAL 70 Cb -0.12 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2kki s VAL 70 CO 0.03 -0.29 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.88 2kki s ILE 71 N -2.56 4.00 -0.29 -0.62 1.09 0.10 -2.81 121.20 120.11 2kki s ILE 71 Ca 0.31 -0.31 -0.08 0.00 -1.10 0.00 0.00 60.65 59.48 2kki s ILE 71 Cb -0.01 -2.78 -0.00 0.00 -1.06 0.00 0.00 42.46 38.60 2kki s ILE 71 CO 0.16 0.46 0.11 -0.22 -0.10 0.00 0.00 174.94 175.34 2kki s LEU 72 N 0.67 3.88 0.06 2.97 2.96 -1.26 -2.67 118.68 125.29 2kki s LEU 72 Ca -0.01 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 2kki s LEU 72 Cb -0.14 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2kki s LEU 72 CO 0.02 -0.17 -0.09 0.00 -1.32 0.00 0.00 176.35 174.79 2kki s ARG 73 N 1.56 0.64 -0.06 1.98 1.70 -0.99 -2.99 118.95 120.78 2kki s ARG 73 Ca 0.04 -0.88 -0.26 0.00 -0.47 0.00 0.00 55.73 54.17 2kki s ARG 73 Cb -0.17 -0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 33.77 2kki s ARG 73 CO 0.04 0.07 0.80 0.96 -1.08 0.00 0.00 175.30 176.09 2kki s ILE 74 N -1.62 4.97 0.61 4.99 -4.36 -1.19 0.41 121.20 125.01 2kki s ILE 74 Ca -0.05 1.64 0.27 0.00 -0.26 0.00 0.00 60.65 62.25 2kki s ILE 74 Cb -0.08 -4.13 0.35 0.00 1.25 0.00 0.00 42.46 39.85 2kki s ILE 74 CO 0.00 0.19 1.75 0.28 0.24 0.00 0.00 174.94 177.40 2kki h SER 75 N 6.85 0.00 0.00 4.36 0.02 -0.40 -3.19 113.55 121.19 2kki h SER 75 Ca -0.39 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 2kki h SER 75 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2kki h SER 75 CO 0.76 0.00 -0.16 0.50 -1.14 0.00 0.00 176.83 176.80 2kki h LYS 76 N 0.00 0.00 -5.90 3.45 1.63 -1.92 -3.47 116.57 110.36 2kki h LYS 76 Ca 0.22 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.46 2kki h LYS 76 Cb 1.47 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.02 2kki h LYS 76 CO -0.00 0.31 -0.46 0.99 -3.45 0.00 0.00 179.45 176.84 2kki s THR 77 N -1.86 2.20 -1.09 1.00 2.01 -1.20 -5.03 115.64 111.66 2kki s THR 77 Ca -0.09 -1.64 -0.05 0.00 0.31 0.00 0.00 61.69 60.23 2kki s THR 77 Cb -0.00 -2.85 0.30 0.00 0.01 0.00 0.00 72.50 69.96 2kki s THR 77 CO 0.24 0.00 1.49 0.00 -0.69 0.00 0.00 174.62 175.66 2kki n GLN 78 N -1.35 4.40 -3.62 4.92 1.13 -1.26 -4.29 117.38 117.32 2kki n GLN 78 Ca -0.02 -4.50 -0.38 0.00 -1.94 0.00 0.00 57.00 50.17 2kki n GLN 78 Cb 0.64 -2.53 -0.11 0.00 0.11 0.00 0.00 30.24 28.35 2kki n GLN 78 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2kki s LEU 79 N -2.59 3.93 0.18 1.08 1.98 -1.26 -3.00 118.68 119.00 2kki s LEU 79 Ca 0.31 -0.05 0.07 0.00 -2.89 0.00 0.00 54.13 51.58 2kki s LEU 79 Cb 0.04 -2.09 -0.04 0.00 0.66 0.00 0.00 46.19 44.76 2kki s LEU 79 CO 0.09 -0.05 0.01 -0.72 -1.89 0.00 0.00 176.35 173.79 2kki s TYR 80 N 1.74 2.84 -0.24 5.38 -0.85 0.13 -3.20 117.35 123.15 2kki s TYR 80 Ca 0.07 -0.14 -0.26 0.00 -0.52 0.00 0.00 57.07 56.22 2kki s TYR 80 Cb -0.16 -1.36 -0.00 0.00 0.38 0.00 0.00 41.96 40.82 2kki s TYR 80 CO 0.10 0.53 0.90 0.08 -1.52 0.00 0.00 175.55 175.64 2kki s VAL 81 N -1.79 4.78 0.01 -3.49 1.01 -1.16 -1.17 120.40 118.59 2kki s VAL 81 Ca 0.28 1.73 -0.07 0.00 0.00 0.00 0.00 61.98 63.92 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 0.19 -0.11 0.27 0.28 0.00 0.00 0.00 175.10 175.73 2kki s THR 82 N 2.95 5.29 -0.27 3.92 -1.32 -0.83 -2.78 115.64 122.60 2kki s THR 82 Ca 0.38 0.17 -0.12 0.00 -1.21 0.00 0.00 61.69 60.91 2kki s THR 82 Cb -0.15 -3.57 -0.05 0.00 -1.51 0.00 0.00 72.50 67.22 2kki s THR 82 CO 0.07 0.36 0.24 0.00 -2.21 0.00 0.00 174.62 173.08 2kki s ALA 83 N -1.31 3.55 0.00 11.08 0.00 -1.06 -3.03 121.76 130.99 2kki s ALA 83 Ca 0.28 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2kki s ALA 83 Cb -0.13 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2kki s ALA 83 CO 0.16 -0.53 0.00 0.94 0.00 0.00 0.00 175.76 176.34 2kki n GLN 84 N 5.02 0.00 -3.46 0.00 0.00 -1.26 -4.92 117.38 112.75 2kki n GLN 84 Ca -0.13 0.00 -0.19 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 1.79 0.67 1.69 2.15 -1.26 -4.93 116.67 115.77 2kki s ASP 85 Ca 0.00 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.40 2kki s ASP 85 Cb 0.00 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 2kki s ASP 85 CO 0.00 -0.37 0.00 1.21 -0.17 0.00 0.00 175.17 175.84 2kki n GLU 86 N 5.31 0.00 -1.84 4.34 2.13 -1.18 -3.57 120.64 125.83 2kki n GLU 86 Ca -0.04 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.46 2kki n GLU 86 Cb 0.47 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.12 2kki n GLU 86 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kki n ASP 87 N 1.61 2.95 -3.66 4.31 2.03 -0.81 -3.07 116.55 119.90 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 -1.58 -0.08 0.00 -0.72 0.00 0.00 41.12 38.74 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 6.08 0.49 0.59 -0.67 -1.52 -1.21 -4.91 119.66 118.52 2kki s GLN 88 Ca 0.66 1.10 -0.20 0.00 -1.95 0.00 0.00 55.36 54.96 2kki s GLN 88 Cb 0.03 0.29 -0.03 0.00 -0.22 0.00 0.00 33.01 33.08 2kki s GLN 88 CO 0.13 -0.19 1.34 -2.14 -0.25 0.00 0.00 175.29 174.19 2kki s PRO 89 N 2.07 2.86 0.19 2.91 0.02 -1.26 -3.24 135.00 138.55 2kki s PRO 89 Ca -0.07 2.18 -0.32 0.00 0.02 0.00 0.00 61.00 62.82 2kki s PRO 89 Cb -0.09 -2.07 -0.11 0.00 0.02 0.00 0.00 34.50 32.25 2kki s PRO 89 CO -0.16 -1.40 1.62 0.14 -0.33 0.00 0.00 177.00 176.87 2kki s VAL 90 N -1.33 2.38 0.02 3.83 -7.23 -0.91 -4.67 120.40 112.49 2kki s VAL 90 Ca 0.77 0.28 -0.04 0.00 -1.81 0.00 0.00 61.98 61.17 2kki s VAL 90 Cb -0.40 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 2kki s VAL 90 CO 0.45 0.02 0.24 -0.76 -0.31 0.00 0.00 175.10 174.75 2kki s LEU 91 N 0.98 4.36 -0.68 1.32 1.43 -1.17 -4.81 118.68 120.10 2kki s LEU 91 Ca 0.71 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 54.07 2kki s LEU 91 Cb -0.46 -2.75 0.10 0.00 0.03 0.00 0.00 46.19 43.11 2kki s LEU 91 CO 0.33 0.23 0.86 -0.76 0.23 0.00 0.00 176.35 177.24 2kki s LEU 92 N -2.00 5.09 -0.35 1.79 1.43 -1.21 -1.96 118.68 121.47 2kki s LEU 92 Ca 0.30 -1.47 -0.16 0.00 -1.03 0.00 0.00 54.13 51.77 2kki s LEU 92 Cb -0.13 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 2kki s LEU 92 CO 0.19 -1.18 0.39 -0.75 0.23 0.00 0.00 176.35 175.23 2kki s LYS 93 N 2.99 3.53 -0.74 1.70 2.47 -0.32 -4.83 119.74 124.54 2kki s LYS 93 Ca 0.19 -0.41 -0.18 0.00 -1.56 0.00 0.00 55.97 54.01 2kki s LYS 93 Cb -0.18 -3.82 0.14 0.00 -1.46 0.00 0.00 37.83 32.51 2kki s LYS 93 CO 0.04 -0.57 0.82 -1.83 0.16 0.00 0.00 175.35 173.97 2kki s GLU 94 N 2.09 3.32 -0.24 4.03 -1.05 -1.26 0.18 118.70 125.76 2kki s GLU 94 Ca 0.13 -1.73 -0.03 0.00 -0.15 0.00 0.00 54.97 53.19 2kki s GLU 94 Cb -0.16 -4.47 0.01 0.00 -0.44 0.00 0.00 34.13 29.06 2kki s GLU 94 CO 0.12 -1.53 -0.04 -1.64 0.95 0.00 0.00 175.26 173.12 2kki s MET 95 N 2.03 3.10 0.08 -4.83 -1.94 -1.16 -4.94 119.30 111.64 2kki s MET 95 Ca 0.18 -0.81 -0.30 0.00 -1.71 0.00 0.00 55.69 53.05 2kki s MET 95 Cb -0.16 -3.04 -0.06 0.00 2.01 0.00 0.00 34.83 33.58 2kki s MET 95 CO -0.02 -0.32 1.19 -1.25 -0.01 0.00 0.00 175.02 174.62 2kki s PRO 96 N 1.41 4.45 0.23 2.03 0.04 -1.26 -4.54 135.00 137.36 2kki s PRO 96 Ca 0.03 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.85 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 -0.03 -0.22 0.00 -1.91 0.04 0.00 0.00 177.00 174.87 2kki n GLU 97 N 3.71 -1.80 -2.37 4.56 2.13 -1.26 -4.92 120.64 120.70 2kki n GLU 97 Ca 0.08 1.36 -0.42 0.00 0.66 0.00 0.00 57.16 58.84 2kki n GLU 97 Cb 0.46 -1.60 -0.03 0.00 0.27 0.00 0.00 31.44 30.54 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 -3.47 3.97 0.28 6.31 -5.25 -1.26 -5.01 121.20 116.77 2kki s ILE 98 Ca 0.00 1.38 -0.22 0.00 -0.99 0.00 0.00 60.65 60.81 2kki s ILE 98 Cb 0.00 -3.88 -0.09 0.00 2.95 0.00 0.00 42.46 41.43 2kki s ILE 98 CO 0.00 0.06 0.84 -2.16 -1.79 0.00 0.00 174.94 171.89 2kki s PRO 99 N 1.59 4.39 -0.00 0.37 0.04 -1.26 -4.93 135.00 135.20 2kki s PRO 99 Ca 0.59 1.09 0.22 0.00 0.04 0.00 0.00 61.00 62.93 2kki s PRO 99 Cb -0.29 -2.79 -0.20 0.00 0.04 0.00 0.00 34.50 31.26 2kki s PRO 99 CO 0.27 0.31 0.83 0.36 0.04 0.00 0.00 177.00 178.81 2kki n LYS 100 N 0.53 0.18 -3.69 4.56 2.85 -1.25 -4.74 118.16 116.59 2kki n LYS 100 Ca 0.00 -0.05 -0.25 0.00 -1.05 0.00 0.00 58.31 56.97 2kki n LYS 100 Cb 0.51 -1.51 -0.17 0.00 -0.65 0.00 0.00 35.03 33.21 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 -3.14 0.21 -0.40 0.58 2.01 -1.24 -0.81 115.64 112.85 2kki s THR 101 Ca 0.04 -0.17 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 2kki s THR 101 Cb 0.15 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 72.02 2kki s THR 101 CO 0.87 -0.09 0.28 -0.51 -0.69 0.00 0.00 174.62 174.47 2kki s ILE 102 N 2.01 5.01 -0.13 1.82 2.07 0.20 -4.30 121.20 127.88 2kki s ILE 102 Ca 0.02 -0.77 0.01 0.00 -1.41 0.00 0.00 60.65 58.50 2kki s ILE 102 Cb -0.15 -3.81 0.02 0.00 0.13 0.00 0.00 42.46 38.64 2kki s ILE 102 CO -0.07 -0.31 -0.16 -0.89 -1.91 0.00 0.00 174.94 171.60 2kki s THR 103 N 1.63 1.62 0.00 4.00 2.01 -1.13 -3.81 115.64 119.95 2kki s THR 103 Ca 0.04 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.35 2kki s THR 103 Cb -0.19 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.83 2kki s THR 103 CO 0.09 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 2kki n GLY 104 N 4.42 0.00 0.30 4.40 0.00 -1.26 -3.28 105.19 109.77 2kki n GLY 104 Ca -0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 1.61 4.64 -2.01 -2.58 113.55 115.21 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 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 2kki n GLU 106 N -3.14 0.93 0.04 4.77 4.71 -1.20 -3.68 120.64 123.06 2kki n GLU 106 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.22 2kki n GLU 106 Cb 0.20 -1.26 0.34 0.00 -1.01 0.00 0.00 31.44 29.70 2kki n GLU 106 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2kki n THR 107 N -0.76 1.03 0.03 2.62 5.66 -0.97 -1.81 114.28 120.07 2kki n THR 107 Ca 0.12 0.28 -0.04 0.00 -3.05 0.00 0.00 64.05 61.36 2kki n THR 107 Cb 0.05 -1.10 0.19 0.00 -1.55 0.00 0.00 70.33 67.92 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 0.45 -0.56 1.09 -0.26 -1.85 -3.17 115.58 111.29 2kki h ASN 108 Ca 0.00 -0.17 -0.35 0.00 -0.56 0.00 0.00 56.30 55.22 2kki h ASN 108 Cb 0.25 -0.13 -0.17 0.00 -1.06 0.00 0.00 38.32 37.22 2kki h ASN 108 CO 0.00 0.75 0.45 -0.11 -1.06 0.00 0.00 177.43 177.46 2kki n LEU 109 N -4.08 6.16 -4.82 1.61 7.94 -0.75 -2.58 117.00 120.48 2kki n LEU 109 Ca -0.01 -3.20 -0.36 0.00 -1.11 0.00 0.00 56.01 51.33 2kki n LEU 109 Cb 0.44 -0.93 -0.07 0.00 0.53 0.00 0.00 43.42 43.39 2kki n LEU 109 CO 0.43 1.12 -0.20 -0.76 -1.11 0.00 0.00 177.39 176.86 2kki s LEU 110 N -2.04 4.21 -0.04 -1.96 1.43 -1.20 -4.40 118.68 114.69 2kki s LEU 110 Ca 0.35 0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.80 2kki s LEU 110 Cb 0.28 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.50 2kki s LEU 110 CO 0.02 0.36 0.06 -0.36 0.23 0.00 0.00 176.35 176.66 2kki s PHE 111 N -0.76 0.01 -0.59 0.29 0.08 -1.12 -3.36 117.98 112.53 2kki s PHE 111 Ca 0.13 0.24 -0.27 0.00 0.12 0.00 0.00 56.93 57.16 2kki s PHE 111 Cb -0.12 -0.31 0.04 0.00 -0.57 0.00 0.00 43.02 42.06 2kki s PHE 111 CO 0.03 -0.14 1.11 -0.06 -0.10 0.00 0.00 175.22 176.05 2kki s PHE 112 N 1.54 2.64 -0.58 0.36 0.08 0.56 -1.79 117.98 120.78 2kki s PHE 112 Ca -0.04 0.19 -0.21 0.00 0.12 0.00 0.00 56.93 57.00 2kki s PHE 112 Cb -0.12 -4.37 0.07 0.00 -0.57 0.00 0.00 43.02 38.02 2kki s PHE 112 CO -0.04 -1.56 0.79 -0.46 -0.10 0.00 0.00 175.22 173.86 2kki s TRP 113 N 4.67 2.89 -0.35 0.36 -0.00 -1.25 -1.80 118.94 123.46 2kki s TRP 113 Ca 0.37 -0.57 -0.07 0.00 -0.00 0.00 0.00 56.10 55.84 2kki s TRP 113 Cb -0.10 -3.96 0.05 0.00 -0.00 0.00 0.00 33.47 29.46 2kki s TRP 113 CO 0.22 -1.32 0.13 -2.00 -0.00 0.00 0.00 176.95 173.97 2kki s GLU 114 N 3.26 2.60 -0.28 5.86 2.56 -1.00 -4.96 118.70 126.74 2kki s GLU 114 Ca 0.19 -1.24 -0.13 0.00 0.00 0.00 0.00 54.97 53.79 2kki s GLU 114 Cb -0.19 -3.51 -0.04 0.00 2.00 0.00 0.00 34.13 32.39 2kki s GLU 114 CO 0.11 -0.72 0.27 0.99 -0.56 0.00 0.00 175.26 175.35 2kki s THR 115 N 1.40 5.25 -0.33 -1.70 2.01 -1.26 -0.76 115.64 120.25 2kki s THR 115 Ca -0.01 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 2kki s THR 115 Cb -0.20 -3.61 0.11 0.00 0.01 0.00 0.00 72.50 68.81 2kki s THR 115 CO 0.03 0.20 0.14 -2.28 -0.69 0.00 0.00 174.62 172.01 2kki s HIS 116 N 1.89 1.36 0.00 4.92 2.46 -1.06 -5.04 115.29 119.83 2kki s HIS 116 Ca 0.10 -1.65 0.00 0.00 0.47 0.00 0.00 55.06 53.98 2kki s HIS 116 Cb -0.16 -1.49 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 2kki s HIS 116 CO 0.11 -0.85 0.00 0.41 -2.47 0.00 0.00 174.74 171.94 2kki n GLY 117 N 4.66 1.61 0.36 1.59 0.00 -1.26 -3.66 105.19 108.48 2kki n GLY 117 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2kki n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kki n THR 118 N 0.00 1.15 -1.93 2.61 -2.24 -1.26 -5.01 114.28 107.61 2kki n THR 118 Ca 0.00 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 2kki n THR 118 Cb 0.00 -1.81 0.08 0.00 -2.10 0.00 0.00 70.33 66.50 2kki n THR 118 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2kki s LYS 119 N -2.40 2.19 -0.03 -0.78 0.00 -1.24 -4.31 119.74 113.17 2kki s LYS 119 Ca -0.28 0.16 -0.20 0.00 0.00 0.00 0.00 55.97 55.65 2kki s LYS 119 Cb 0.10 -1.99 0.04 0.00 0.00 0.00 0.00 37.83 35.98 2kki s LYS 119 CO 0.36 -1.43 0.42 1.21 0.00 0.00 0.00 175.35 175.91 2kki s ASN 120 N -4.52 -0.34 0.26 0.03 3.84 0.41 -2.56 114.94 112.07 2kki s ASN 120 Ca 0.61 0.29 0.07 0.00 0.21 0.00 0.00 52.86 54.04 2kki s ASN 120 Cb -0.11 0.39 -0.04 0.00 -0.55 0.00 0.00 41.25 40.94 2kki s ASN 120 CO 0.49 -0.49 0.18 -0.31 -2.79 0.00 0.00 177.10 174.18 2kki s TYR 121 N -1.26 3.04 -0.31 0.43 1.51 0.06 -0.36 117.35 120.45 2kki s TYR 121 Ca -0.13 -0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2kki s TYR 121 Cb -0.04 -1.40 0.10 0.00 -0.11 0.00 0.00 41.96 40.52 2kki s TYR 121 CO 0.06 0.51 0.11 -0.06 -1.11 0.00 0.00 175.55 175.06 2kki s PHE 122 N -2.17 1.56 0.08 2.71 0.08 -1.23 -2.36 117.98 116.64 2kki s PHE 122 Ca 0.33 -1.68 -0.19 0.00 0.12 0.00 0.00 56.93 55.51 2kki s PHE 122 Cb -0.07 -1.63 -0.07 0.00 -0.57 0.00 0.00 43.02 40.68 2kki s PHE 122 CO 0.24 -0.87 0.57 0.99 -0.10 0.00 0.00 175.22 176.06 2kki s THR 123 N 1.60 4.74 -0.03 0.64 2.01 -0.74 -0.86 115.64 122.99 2kki s THR 123 Ca 0.10 1.21 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 2kki s THR 123 Cb -0.18 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2kki s THR 123 CO -0.25 0.53 1.50 -0.55 -0.69 0.00 0.00 174.62 175.17 2kki s SER 124 N -1.15 6.77 0.49 3.53 0.15 -0.22 0.21 113.70 123.48 2kki s SER 124 Ca 0.30 2.16 0.29 0.00 0.70 0.00 0.00 55.95 59.39 2kki s SER 124 Cb -0.19 -2.55 1.02 0.00 -1.71 0.00 0.00 66.02 62.59 2kki s SER 124 CO 0.19 -0.81 1.86 1.62 1.20 0.00 0.00 173.24 177.30 2kki h VAL 125 N 5.16 0.17 -0.04 4.45 3.04 -1.86 -1.92 116.25 125.26 2kki h VAL 125 Ca -0.38 -0.82 -0.08 0.00 -1.01 0.00 0.00 66.70 64.41 2kki h VAL 125 Cb 1.17 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.16 2kki h VAL 125 CO 0.93 0.07 -0.30 0.00 -1.01 0.00 0.00 177.57 177.27 2kki h ALA 126 N 1.93 0.09 -2.10 3.17 0.00 -1.84 -3.44 119.26 117.08 2kki h ALA 126 Ca -0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 2kki h ALA 126 Cb 0.69 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.17 2kki h ALA 126 CO 0.01 0.15 -0.54 -1.58 0.00 0.00 0.00 179.25 177.28 2kki s HIS 127 N -3.50 -0.64 0.36 0.00 5.65 -0.78 -5.04 115.29 111.35 2kki s HIS 127 Ca -0.15 0.52 0.15 0.00 0.25 0.00 0.00 55.06 55.84 2kki s HIS 127 Cb 0.03 -0.15 1.05 0.00 -1.18 0.00 0.00 32.58 32.33 2kki s HIS 127 CO 0.76 -0.72 1.72 -1.35 -0.65 0.00 0.00 174.74 174.50 2kki h PRO 128 N 8.23 0.40 0.00 2.88 0.11 -1.72 -0.89 132.00 141.01 2kki h PRO 128 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2kki h PRO 128 Cb 1.14 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2kki h PRO 128 CO 0.28 0.27 0.00 -1.71 -0.21 0.00 0.00 178.00 176.63 2kki n ASN 129 N -4.83 0.00 -4.75 -2.05 4.05 -1.26 -3.93 115.26 102.50 2kki n ASN 129 Ca 0.29 0.34 -0.36 0.00 0.45 0.00 0.00 54.58 55.29 2kki n ASN 129 Cb 0.91 -0.41 -0.07 0.00 1.23 0.00 0.00 39.78 41.44 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 4.26 -0.16 1.20 1.02 -0.34 0.39 118.68 122.25 2kki s LEU 130 Ca 0.07 0.48 -0.16 0.00 0.02 0.00 0.00 54.13 54.55 2kki s LEU 130 Cb 0.07 -2.31 0.04 0.00 0.02 0.00 0.00 46.19 44.01 2kki s LEU 130 CO 0.17 0.15 0.44 0.12 0.02 0.00 0.00 176.35 177.25 2kki s PHE 131 N 0.25 -0.47 -0.65 0.29 2.19 -1.13 -1.06 117.98 117.40 2kki s PHE 131 Ca 0.15 1.13 -0.23 0.00 0.33 0.00 0.00 56.93 58.31 2kki s PHE 131 Cb -0.13 0.17 0.06 0.00 -1.31 0.00 0.00 43.02 41.81 2kki s PHE 131 CO 0.03 -0.25 0.98 0.42 1.83 0.00 0.00 175.22 178.24 2kki s ILE 132 N 0.13 4.29 0.21 3.12 -1.09 -0.04 -2.16 121.20 125.66 2kki s ILE 132 Ca -0.01 -0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.18 2kki s ILE 132 Cb -0.03 -4.68 -0.05 0.00 -1.58 0.00 0.00 42.46 36.12 2kki s ILE 132 CO 0.01 -1.43 0.44 0.00 -1.23 0.00 0.00 174.94 172.73 2kki s ALA 133 N 4.17 3.75 -0.07 9.38 0.00 -0.65 -4.26 121.76 134.08 2kki s ALA 133 Ca 0.24 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.57 2kki s ALA 133 Cb -0.16 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.84 2kki s ALA 133 CO 0.12 0.45 -0.13 0.95 0.00 0.00 0.00 175.76 177.15 2kki s THR 134 N -1.87 1.20 0.07 0.00 -4.23 0.37 -3.38 115.64 107.81 2kki s THR 134 Ca 0.41 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 2kki s THR 134 Cb -0.11 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.60 2kki s THR 134 CO 0.28 0.37 -0.02 -0.54 -0.54 0.00 0.00 174.62 174.17 2kki s LYS 135 N 0.60 2.54 0.28 3.99 3.01 -1.26 -3.52 119.74 125.37 2kki s LYS 135 Ca -0.14 -0.81 0.14 0.00 -1.01 0.00 0.00 55.97 54.15 2kki s LYS 135 Cb -0.16 -2.53 0.26 0.00 -1.01 0.00 0.00 37.83 34.39 2kki s LYS 135 CO 0.04 0.56 1.53 1.96 0.51 0.00 0.00 175.35 179.95 2kki h GLN 136 N 3.70 0.00 0.00 1.68 1.08 -1.93 -3.39 115.11 116.25 2kki h GLN 136 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 2kki h GLN 136 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2kki h GLN 136 CO 0.58 0.59 -0.45 -3.47 -0.95 0.00 0.00 178.83 175.13 2kki n ASP 137 N -3.44 2.07 -4.13 1.46 2.03 -1.26 -4.84 116.55 108.44 2kki n ASP 137 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 2kki n ASP 137 Cb 0.69 0.13 0.09 0.00 -0.72 0.00 0.00 41.12 41.31 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 -1.49 -2.90 -1.34 -0.67 4.02 -1.26 -4.87 117.16 108.65 2kki n TYR 138 Ca 0.00 -1.48 -0.31 0.00 -0.01 0.00 0.00 57.90 56.09 2kki n TYR 138 Cb 0.23 -0.56 0.08 0.00 -0.02 0.00 0.00 39.34 39.07 2kki n TYR 138 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2kki s TRP 139 N -2.34 2.66 -0.49 -0.72 0.51 -1.26 -3.94 118.94 113.37 2kki s TRP 139 Ca 0.53 1.53 -0.28 0.00 -2.12 0.00 0.00 56.10 55.77 2kki s TRP 139 Cb -0.03 -3.03 -0.01 0.00 -0.81 0.00 0.00 33.47 29.59 2kki s TRP 139 CO 0.35 -1.70 1.73 0.14 -0.51 0.00 0.00 176.95 176.96 2kki s VAL 140 N -2.88 3.51 0.00 4.03 -7.23 0.03 -4.35 120.40 113.50 2kki s VAL 140 Ca 0.61 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 61.22 2kki s VAL 140 Cb -0.17 -3.93 0.00 0.00 0.56 0.00 0.00 36.38 32.84 2kki s VAL 140 CO 0.55 -0.76 0.00 0.00 -0.31 0.00 0.00 175.10 174.58 2kki s LEU 142 N 0.00 2.32 -0.15 0.00 2.96 -1.20 -1.64 118.68 120.97 2kki s LEU 142 Ca 0.00 -0.65 -0.31 0.00 -0.22 0.00 0.00 54.13 52.95 2kki s LEU 142 Cb 0.00 0.02 0.13 0.00 0.50 0.00 0.00 46.19 46.85 2kki s LEU 142 CO 0.00 -0.34 1.06 0.00 -1.32 0.00 0.00 176.35 175.74 2kki s ALA 143 N -2.09 -1.96 -0.38 5.97 0.00 -0.92 -1.92 121.76 120.47 2kki s ALA 143 Ca -0.07 1.50 0.03 0.00 0.00 0.00 0.00 51.96 53.42 2kki s ALA 143 Cb -0.05 -0.46 0.53 0.00 0.00 0.00 0.00 23.12 23.14 2kki s ALA 143 CO -0.03 -0.44 1.77 0.41 0.00 0.00 0.00 175.76 177.48 2kki n GLY 144 N 0.34 4.13 0.00 0.00 0.00 0.16 -2.85 105.19 106.97 2kki n GLY 144 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 1.76 0.00 -0.02 0.00 -1.26 -4.85 105.19 100.01 2kki n GLY 145 Ca 0.49 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.50 135.00 131.83 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 -2.30 0.52 -0.02 -1.26 -4.87 135.00 127.07 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 6.91 -0.78 2.55 0.01 -1.23 -4.92 113.70 116.24 2kki s SER 148 Ca 0.00 2.00 -0.18 0.00 1.31 0.00 0.00 55.95 59.09 2kki s SER 148 Cb 0.00 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.82 2kki s SER 148 CO 0.00 -0.69 0.89 -0.63 0.41 0.00 0.00 173.24 173.22 2kki s ILE 149 N 2.47 4.97 -0.37 1.44 1.09 -1.23 -4.88 121.20 124.70 2kki s ILE 149 Ca 0.61 -1.57 -0.01 0.00 -1.10 0.00 0.00 60.65 58.58 2kki s ILE 149 Cb -0.29 -4.60 0.26 0.00 -1.06 0.00 0.00 42.46 36.77 2kki s ILE 149 CO 0.24 -1.26 1.99 0.35 -0.10 0.00 0.00 174.94 176.17 2kki n THR 150 N 5.13 2.88 -3.64 2.92 -2.24 -1.26 0.14 114.28 118.21 2kki n THR 150 Ca 0.09 -1.81 -0.34 0.00 -2.27 0.00 0.00 64.05 59.72 2kki n THR 150 Cb 0.46 -1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 67.37 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 -0.15 6.57 0.24 3.42 1.01 -1.26 -4.12 116.67 122.39 2kki s ASP 151 Ca 0.36 0.69 0.01 0.00 0.71 0.00 0.00 52.55 54.33 2kki s ASP 151 Cb 0.28 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 42.03 2kki s ASP 151 CO -0.00 0.16 0.08 0.72 0.21 0.00 0.00 175.17 176.34 2kki s PHE 152 N -1.44 1.48 -0.08 4.23 -0.71 0.51 -3.85 117.98 118.12 2kki s PHE 152 Ca 0.34 -1.16 -0.18 0.00 -1.04 0.00 0.00 56.93 54.89 2kki s PHE 152 Cb -0.13 -0.86 0.04 0.00 -1.21 0.00 0.00 43.02 40.86 2kki s PHE 152 CO 0.19 -0.32 0.42 -0.65 -1.34 0.00 0.00 175.22 173.52 2kki s GLN 153 N -4.02 0.67 -0.36 1.99 -0.21 0.36 0.16 119.66 118.25 2kki s GLN 153 Ca 0.36 0.18 -0.19 0.00 0.02 0.00 0.00 55.36 55.73 2kki s GLN 153 Cb 0.08 0.31 0.00 0.00 1.00 0.00 0.00 33.01 34.40 2kki s GLN 153 CO 0.12 -0.16 0.58 0.42 -2.12 0.00 0.00 175.29 174.13 2kki s ILE 154 N -0.72 4.94 -0.27 1.08 1.09 -1.26 -3.14 121.20 122.92 2kki s ILE 154 Ca -0.08 0.41 -0.08 0.00 -1.10 0.00 0.00 60.65 59.80 2kki s ILE 154 Cb -0.04 -4.04 -0.02 0.00 -1.06 0.00 0.00 42.46 37.31 2kki s ILE 154 CO 0.04 -0.30 0.09 -0.76 -0.10 0.00 0.00 174.94 173.90 2kki s LEU 155 N 2.56 3.61 0.41 2.97 1.43 -0.10 -4.92 118.68 124.65 2kki s LEU 155 Ca 0.21 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 2kki s LEU 155 Cb -0.15 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 2kki s LEU 155 CO 0.14 -0.08 0.75 -0.70 0.23 0.00 0.00 176.35 176.69 2kki s GLU 156 N 1.60 3.73 0.46 1.70 2.12 -1.26 -1.25 118.70 125.80 2kki s GLU 156 Ca 0.06 0.38 -0.08 0.00 0.36 0.00 0.00 54.97 55.69 2kki s GLU 156 Cb -0.16 -2.41 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 2kki s GLU 156 CO 0.04 -0.04 0.80 1.21 -0.54 0.00 0.00 175.26 176.73 2kki s ASN 157 N -3.31 6.38 -0.05 -1.70 2.47 -1.26 -4.51 114.94 112.96 2kki s ASN 157 Ca 0.50 1.06 -0.23 0.00 0.42 0.00 0.00 52.86 54.61 2kki s ASN 157 Cb -0.10 -2.30 -0.17 0.00 -1.45 0.00 0.00 41.25 37.22 2kki s ASN 157 CO 0.33 -0.52 0.97 0.06 -3.72 0.00 0.00 177.10 174.22 2kki h GLN 158 N 0.64 -0.16 0.00 0.43 3.07 -1.97 -3.49 115.11 113.63 2kki h GLN 158 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.28 2kki h GLN 158 Cb 1.20 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.79 2kki h GLN 158 CO 0.63 0.31 0.00 0.00 0.09 0.00 0.00 178.83 179.85