#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 5.28 -0.13 3.53 0.11 -1.26 -4.87 120.40 123.06 2kki s VAL 10 Ca 0.00 0.59 -0.06 0.00 -2.93 0.00 0.00 61.98 59.58 2kki s VAL 10 Cb 0.00 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 2kki s VAL 10 CO 0.00 0.35 0.10 -0.54 -3.33 0.00 0.00 175.10 171.68 2kki s LYS 11 N 0.70 3.50 -0.24 1.54 1.02 -1.26 -5.00 119.74 120.00 2kki s LYS 11 Ca 0.17 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.93 2kki s LYS 11 Cb -0.14 -3.13 0.03 0.00 -0.52 0.00 0.00 37.83 34.08 2kki s LYS 11 CO 0.05 0.64 -0.10 1.52 -0.92 0.00 0.00 175.35 176.54 2kki s TYR 12 N -0.65 3.05 -0.33 3.18 -0.85 -1.24 -0.78 117.35 119.73 2kki s TYR 12 Ca 0.12 -1.76 0.04 0.00 -0.52 0.00 0.00 57.07 54.95 2kki s TYR 12 Cb -0.12 -2.00 0.09 0.00 0.38 0.00 0.00 41.96 40.32 2kki s TYR 12 CO 0.02 -0.78 0.03 -0.80 -1.52 0.00 0.00 175.55 172.50 2kki s ASN 13 N 1.27 4.73 -0.24 -0.18 -0.87 -0.68 -4.14 114.94 114.83 2kki s ASN 13 Ca -0.01 -2.06 -0.20 0.00 -1.57 0.00 0.00 52.86 49.02 2kki s ASN 13 Cb -0.17 -1.62 -0.02 0.00 -0.02 0.00 0.00 41.25 39.42 2kki s ASN 13 CO -0.06 -0.36 0.60 0.72 -2.57 0.00 0.00 177.10 175.43 2kki s PHE 14 N 0.93 3.31 0.00 2.20 -0.71 -0.14 -3.62 117.98 119.96 2kki s PHE 14 Ca 0.08 0.81 0.00 0.00 -1.04 0.00 0.00 56.93 56.79 2kki s PHE 14 Cb -0.19 -2.79 0.00 0.00 -1.21 0.00 0.00 43.02 38.82 2kki s PHE 14 CO -0.08 -0.26 0.00 -0.12 -1.34 0.00 0.00 175.22 173.43 2kki n MET 15 N 5.43 0.00 -3.59 1.99 1.56 -1.06 -2.74 117.12 118.71 2kki n MET 15 Ca -0.02 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.32 2kki n MET 15 Cb 0.49 -0.08 -0.05 0.00 2.15 0.00 0.00 33.22 35.73 2kki n MET 15 CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 2kki s ARG 16 N -0.58 0.49 -0.32 2.12 1.04 -0.24 -4.95 118.95 116.51 2kki s ARG 16 Ca 0.00 0.14 -0.29 0.00 -1.04 0.00 0.00 55.73 54.54 2kki s ARG 16 Cb 0.00 0.23 0.02 0.00 -2.04 0.00 0.00 34.95 33.16 2kki s ARG 16 CO 0.00 -0.15 1.09 -1.50 -0.04 0.00 0.00 175.30 174.70 2kki s ILE 17 N -1.02 4.48 0.00 4.99 2.07 -1.26 -1.07 121.20 129.39 2kki s ILE 17 Ca 0.00 1.70 0.00 0.00 -1.41 0.00 0.00 60.65 60.94 2kki s ILE 17 Cb -0.01 -4.41 0.00 0.00 0.13 0.00 0.00 42.46 38.17 2kki s ILE 17 CO -0.01 -0.50 0.00 -0.38 -1.91 0.00 0.00 174.94 172.14 2kki n ILE 18 N 5.92 0.00 -4.11 2.00 5.41 -1.08 -4.94 119.36 122.56 2kki n ILE 18 Ca 0.12 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.65 2kki n ILE 18 Cb 0.47 0.00 -0.04 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 1.60 2.93 0.12 0.38 1.02 -1.06 -4.92 119.74 119.81 2kki s LYS 19 Ca 0.00 -1.04 -0.15 0.00 0.02 0.00 0.00 55.97 54.80 2kki s LYS 19 Cb 0.00 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.77 2kki s LYS 19 CO 0.00 0.41 0.37 1.52 -0.92 0.00 0.00 175.35 176.73 2kki s TYR 20 N -2.10 -0.16 -1.46 3.18 -0.85 -1.26 -0.99 117.35 113.70 2kki s TYR 20 Ca 0.33 -0.17 -0.08 0.00 -0.52 0.00 0.00 57.07 56.63 2kki s TYR 20 Cb -0.08 0.22 0.02 0.00 0.38 0.00 0.00 41.96 42.50 2kki s TYR 20 CO 0.25 -0.68 0.86 0.39 -1.52 0.00 0.00 175.55 174.85 2kki n GLU 21 N -0.20 -6.05 -4.06 -3.49 -0.58 -1.06 -4.98 120.64 100.21 2kki n GLU 21 Ca -0.16 0.82 -0.24 0.00 -0.42 0.00 0.00 57.16 57.16 2kki n GLU 21 Cb 0.64 -5.75 -0.04 0.00 -0.57 0.00 0.00 31.44 25.71 2kki n GLU 21 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2kki s PHE 22 N -3.23 3.23 -0.17 -0.32 0.08 -1.22 -4.95 117.98 111.38 2kki s PHE 22 Ca 0.46 -0.03 -0.10 0.00 0.12 0.00 0.00 56.93 57.38 2kki s PHE 22 Cb -0.21 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 2kki s PHE 22 CO 0.57 0.51 0.15 0.42 -0.10 0.00 0.00 175.22 176.77 2kki s ILE 23 N -1.91 5.42 -0.27 0.64 -1.09 -0.35 -2.81 121.20 120.83 2kki s ILE 23 Ca 0.32 0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 58.86 2kki s ILE 23 Cb -0.09 -3.47 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 2kki s ILE 23 CO 0.25 0.48 0.23 -0.22 -1.23 0.00 0.00 174.94 174.46 2kki s LEU 24 N 0.02 4.04 0.03 2.97 2.96 -1.26 -0.72 118.68 126.72 2kki s LEU 24 Ca 0.11 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 2kki s LEU 24 Cb -0.11 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2kki s LEU 24 CO 0.00 -0.07 -0.10 0.20 -1.32 0.00 0.00 176.35 175.06 2kki s ASN 25 N 1.63 1.19 0.71 3.68 -0.87 -1.12 -0.58 114.94 119.57 2kki s ASN 25 Ca 0.09 -0.42 -0.02 0.00 -1.57 0.00 0.00 52.86 50.94 2kki s ASN 25 Cb -0.16 -0.05 0.12 0.00 -0.02 0.00 0.00 41.25 41.15 2kki s ASN 25 CO 0.10 -0.04 0.81 -0.90 -2.57 0.00 0.00 177.10 174.49 2kki n ASP 26 N 1.93 0.91 0.20 -1.22 5.68 -1.23 0.15 116.55 122.97 2kki n ASP 26 Ca -0.19 -1.81 0.14 0.00 -0.50 0.00 0.00 54.79 52.44 2kki n ASP 26 Cb 0.55 -0.54 0.59 0.00 -1.14 0.00 0.00 41.12 40.58 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 -0.76 1.00 0.00 2.12 0.00 -1.86 0.23 119.26 119.99 2kki h ALA 27 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kki h ALA 27 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2kki h ALA 27 CO 0.27 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.45 2kki h LEU 28 N 0.00 0.00 -2.58 0.00 3.38 -1.91 -3.48 115.31 110.73 2kki h LEU 28 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2kki h LEU 28 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2kki h LEU 28 CO 0.00 0.00 -0.17 0.59 0.09 0.00 0.00 178.44 178.95 2kki n ASN 29 N -2.72 -7.36 -3.83 -0.43 4.13 0.80 -5.00 115.26 100.85 2kki n ASN 29 Ca 0.03 -0.20 -0.26 0.00 1.68 0.00 0.00 54.58 55.82 2kki n ASN 29 Cb 0.35 -4.77 -0.17 0.00 -1.54 0.00 0.00 39.78 33.66 2kki n ASN 29 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kki s GLN 30 N -3.29 1.04 -0.03 3.52 0.00 -1.26 -3.98 119.66 115.65 2kki s GLN 30 Ca 0.00 -0.23 -0.30 0.00 -0.00 0.00 0.00 55.36 54.83 2kki s GLN 30 Cb -0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 33.01 31.36 2kki s GLN 30 CO 0.77 -0.39 1.69 -1.54 0.00 0.00 0.00 175.29 175.82 2kki s SER 31 N 1.80 6.64 -0.67 12.60 1.04 0.19 -3.49 113.70 131.82 2kki s SER 31 Ca 0.03 2.30 -0.27 0.00 0.48 0.00 0.00 55.95 58.49 2kki s SER 31 Cb -0.14 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.47 2kki s SER 31 CO -0.07 -0.93 1.30 0.27 0.98 0.00 0.00 173.24 174.79 2kki s ILE 32 N 3.96 3.79 0.15 -1.02 -4.36 0.25 -1.19 121.20 122.78 2kki s ILE 32 Ca 0.75 0.57 0.02 0.00 -0.26 0.00 0.00 60.65 61.73 2kki s ILE 32 Cb -0.35 -4.75 -0.04 0.00 1.25 0.00 0.00 42.46 38.57 2kki s ILE 32 CO 0.31 -1.57 0.30 -0.63 0.24 0.00 0.00 174.94 173.58 2kki s ILE 33 N 5.74 5.31 -0.35 8.37 1.01 -0.43 -3.68 121.20 137.18 2kki s ILE 33 Ca 0.41 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 2kki s ILE 33 Cb -0.08 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2kki s ILE 33 CO 0.20 -0.10 1.28 -0.60 0.00 0.00 0.00 174.94 175.72 2kki s ARG 34 N -3.22 3.83 -0.11 2.79 3.00 -1.26 -2.26 118.95 121.72 2kki s ARG 34 Ca 0.35 1.07 0.04 0.00 -1.00 0.00 0.00 55.73 56.20 2kki s ARG 34 Cb -0.11 -3.90 -0.24 0.00 0.00 0.00 0.00 34.95 30.70 2kki s ARG 34 CO 0.29 -1.23 0.39 0.00 0.00 0.00 0.00 175.30 174.75 2kki n ALA 35 N 7.83 1.24 -2.25 6.12 0.00 -1.23 -4.94 120.51 127.27 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 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.19 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 -6.47 0.35 0.00 0.00 3.84 -0.84 -5.03 114.94 106.80 2kki s ASN 36 Ca -0.16 -0.93 0.23 0.00 0.21 0.00 0.00 52.86 52.21 2kki s ASN 36 Cb 0.07 0.26 1.29 0.00 -0.55 0.00 0.00 41.25 42.32 2kki s ASN 36 CO 0.78 -0.66 1.72 -0.90 -2.79 0.00 0.00 177.10 175.25 2kki n ASP 37 N 0.03 0.00 0.00 -4.21 5.75 -1.26 -3.23 116.55 113.62 2kki n ASP 37 Ca -0.13 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.14 2kki n ASP 37 Cb 0.62 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2kki n ASP 37 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2kki n GLN 38 N -1.08 2.85 -4.26 0.11 7.27 -1.26 -4.73 117.38 116.27 2kki n GLN 38 Ca 0.15 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.03 2kki n GLN 38 Cb 0.11 -0.96 -0.11 0.00 2.41 0.00 0.00 30.24 31.68 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 -1.91 1.50 -0.04 3.69 1.13 -1.20 -2.25 117.35 118.28 2kki s TYR 39 Ca 0.00 -0.53 0.06 0.00 -1.41 0.00 0.00 57.07 55.19 2kki s TYR 39 Cb 0.00 -0.78 -0.01 0.00 -1.10 0.00 0.00 41.96 40.07 2kki s TYR 39 CO 0.00 0.19 -0.23 -1.17 -2.51 0.00 0.00 175.55 171.83 2kki s LEU 40 N -2.48 2.03 -0.05 -3.49 2.96 -1.26 -1.98 118.68 114.39 2kki s LEU 40 Ca 0.10 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2kki s LEU 40 Cb -0.05 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 2kki s LEU 40 CO 0.04 0.24 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.20 2kki s THR 41 N -0.26 2.37 0.04 3.68 2.01 -0.96 -0.70 115.64 121.83 2kki s THR 41 Ca 0.01 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 60.85 2kki s THR 41 Cb -0.11 -1.88 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 2kki s THR 41 CO 0.02 0.57 0.57 0.00 -0.69 0.00 0.00 174.62 175.09 2kki s ALA 42 N -0.35 3.56 -0.13 7.40 0.00 -1.26 -1.31 121.76 129.67 2kki s ALA 42 Ca 0.02 0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.92 2kki s ALA 42 Cb -0.12 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.38 2kki s ALA 42 CO 0.02 0.33 0.31 0.00 0.00 0.00 0.00 175.76 176.42 2kki s ALA 43 N -0.80 -0.77 0.04 0.00 0.00 -0.34 -4.76 121.76 115.13 2kki s ALA 43 Ca 0.29 1.07 -0.34 0.00 0.00 0.00 0.00 51.96 52.98 2kki s ALA 43 Cb -0.19 -0.65 -0.13 0.00 0.00 0.00 0.00 23.12 22.15 2kki s ALA 43 CO 0.18 -0.19 1.71 0.00 0.00 0.00 0.00 175.76 177.46 2kki n ALA 44 N 3.66 1.08 -1.77 0.00 0.00 -1.26 0.56 120.51 122.78 2kki n ALA 44 Ca -0.19 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 2kki n ALA 44 Cb 0.56 -2.41 0.01 0.00 0.00 0.00 0.00 19.45 17.60 2kki n ALA 44 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2kki s LEU 45 N 2.38 3.80 0.00 0.00 2.96 -1.26 -4.73 118.68 121.83 2kki s LEU 45 Ca 0.85 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 57.06 2kki s LEU 45 Cb -0.69 -4.48 0.00 0.00 0.50 0.00 0.00 46.19 41.52 2kki s LEU 45 CO 0.45 -1.25 0.00 1.57 -1.32 0.00 0.00 176.35 175.80 2kki n HIS 46 N -1.14 0.00 1.33 5.38 -0.00 -1.26 -4.80 115.22 114.74 2kki n HIS 46 Ca 0.11 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.96 2kki n HIS 46 Cb 0.49 0.00 0.40 0.00 -0.00 0.00 0.00 29.99 30.88 2kki n HIS 46 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 2kki n ASN 47 N -0.24 1.58 0.00 0.26 5.15 -1.26 -4.97 115.26 115.78 2kki n ASN 47 Ca 0.00 -1.39 0.00 0.00 -0.60 0.00 0.00 54.58 52.59 2kki n ASN 47 Cb 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.07 0.00 -4.50 1.20 4.77 -1.26 -3.40 117.00 113.87 2kki n LEU 48 Ca 0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 2kki n LEU 48 Cb 0.39 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2kki n LEU 48 CO 0.20 0.00 1.39 1.51 -1.33 0.00 0.00 177.39 179.16 2kki s ASP 49 N 0.00 6.78 0.00 -1.43 -4.77 -1.26 -4.25 116.67 111.74 2kki s ASP 49 Ca 0.00 -2.30 0.00 0.00 -3.30 0.00 0.00 52.55 46.95 2kki s ASP 49 Cb 0.00 -2.47 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 2kki s ASP 49 CO 0.00 -1.07 0.00 1.21 0.70 0.00 0.00 175.17 176.01 2kki n GLU 50 N 7.06 0.00 -1.77 2.11 2.13 -1.26 -5.03 120.64 123.88 2kki n GLU 50 Ca 0.34 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.86 2kki n GLU 50 Cb 0.47 -0.37 0.05 0.00 0.27 0.00 0.00 31.44 31.86 2kki n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kki s ALA 51 N -1.00 2.75 0.23 4.31 0.00 -1.26 -4.95 121.76 121.84 2kki s ALA 51 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 2kki s ALA 51 Cb 0.00 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 2kki s ALA 51 CO 0.00 -1.22 1.27 0.14 0.00 0.00 0.00 175.76 175.95 2kki s VAL 52 N -3.25 3.21 -0.14 0.00 -7.23 -1.24 -4.86 120.40 106.90 2kki s VAL 52 Ca 0.58 1.05 -0.17 0.00 -1.81 0.00 0.00 61.98 61.63 2kki s VAL 52 Cb -0.12 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 2kki s VAL 52 CO 0.53 0.19 0.44 -0.54 -0.31 0.00 0.00 175.10 175.41 2kki s LYS 53 N -0.55 4.31 0.27 4.82 1.02 -1.26 -4.28 119.74 124.07 2kki s LYS 53 Ca 0.53 0.37 0.06 0.00 0.02 0.00 0.00 55.97 56.95 2kki s LYS 53 Cb -0.36 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 2kki s LYS 53 CO 0.41 0.14 0.34 -0.06 -0.92 0.00 0.00 175.35 175.26 2kki s PHE 54 N 0.69 3.25 -0.04 3.18 0.40 -1.12 0.24 117.98 124.58 2kki s PHE 54 Ca 0.24 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 2kki s PHE 54 Cb -0.15 -1.63 0.03 0.00 0.51 0.00 0.00 43.02 41.78 2kki s PHE 54 CO 0.09 0.35 0.00 -0.51 0.70 0.00 0.00 175.22 175.85 2kki s ASP 55 N -3.99 0.69 -0.07 1.36 1.01 0.14 -2.56 116.67 113.25 2kki s ASP 55 Ca 0.37 -0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.60 2kki s ASP 55 Cb -0.09 -0.26 -0.03 0.00 1.01 0.00 0.00 42.92 43.55 2kki s ASP 55 CO 0.28 -0.12 -0.09 0.00 0.21 0.00 0.00 175.17 175.45 2kki s MET 56 N 1.24 2.78 -0.03 8.23 0.23 -0.16 -2.40 119.30 129.18 2kki s MET 56 Ca -0.07 -0.60 0.00 0.00 -1.03 0.00 0.00 55.69 54.00 2kki s MET 56 Cb -0.13 -2.55 0.03 0.00 -1.53 0.00 0.00 34.83 30.64 2kki s MET 56 CO -0.02 0.59 -0.01 0.20 -2.03 0.00 0.00 175.02 173.75 2kki s GLY 57 N -0.63 0.29 0.15 3.16 0.00 -1.17 -2.55 107.32 106.57 2kki s GLY 57 Ca 0.09 0.11 -0.24 0.00 0.00 0.00 0.00 44.72 44.68 2kki s GLY 57 CO 0.02 0.59 0.73 0.00 0.00 0.00 0.00 173.10 174.44 2kki s ALA 58 N 1.05 3.48 0.06 3.20 0.00 -0.23 -0.29 121.76 129.02 2kki s ALA 58 Ca -0.09 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.19 2kki s ALA 58 Cb -0.14 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 2kki s ALA 58 CO -0.01 0.32 -0.13 0.71 0.00 0.00 0.00 175.76 176.65 2kki s TYR 59 N -1.16 1.09 -0.02 0.00 2.02 0.06 -1.08 117.35 118.25 2kki s TYR 59 Ca 0.35 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2kki s TYR 59 Cb -0.22 -0.62 0.03 0.00 -0.40 0.00 0.00 41.96 40.75 2kki s TYR 59 CO 0.24 0.02 0.04 0.21 -1.57 0.00 0.00 175.55 174.50 2kki s LYS 60 N -1.61 -0.04 0.06 -0.62 2.20 -1.11 -4.17 119.74 114.45 2kki s LYS 60 Ca -0.03 0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.83 2kki s LYS 60 Cb -0.10 -0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 35.90 2kki s LYS 60 CO 0.02 -0.20 -0.08 -1.12 -0.36 0.00 0.00 175.35 173.61 2kki s SER 61 N 1.28 0.97 -0.38 1.43 0.01 -1.26 -3.23 113.70 112.51 2kki s SER 61 Ca -0.07 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.46 2kki s SER 61 Cb -0.13 0.05 0.14 0.00 0.21 0.00 0.00 66.02 66.30 2kki s SER 61 CO -0.03 -0.29 2.40 -1.20 0.41 0.00 0.00 173.24 174.53 2kki n SER 62 N 0.94 6.47 -1.30 2.44 7.64 -1.26 -3.94 113.62 124.62 2kki n SER 62 Ca -0.19 -3.13 -0.03 0.00 1.01 0.00 0.00 58.87 56.53 2kki n SER 62 Cb 0.57 -1.14 0.12 0.00 -1.01 0.00 0.00 64.21 62.74 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 0.61 1.87 0.00 1.43 4.76 -1.26 -5.00 118.16 120.57 2kki n LYS 63 Ca 0.40 -3.34 0.00 0.00 -2.87 0.00 0.00 58.31 52.50 2kki n LYS 63 Cb 0.58 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 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 -0.71 0.00 0.00 4.39 8.00 -1.25 -5.09 116.55 121.88 2kki n ASP 64 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2kki n ASP 64 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 2kki n ASP 64 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kki n ASP 65 N 0.00 0.00 -0.32 -2.24 8.00 -1.26 -4.95 116.55 115.78 2kki n ASP 65 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2kki n ASP 65 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 2kki n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kki n ALA 66 N -1.53 2.14 -3.05 2.24 0.00 -1.26 -5.08 120.51 113.96 2kki n ALA 66 Ca 0.00 -1.77 -0.12 0.00 0.00 0.00 0.00 53.44 51.55 2kki n ALA 66 Cb 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.33 0.25 0.11 0.00 -2.85 -1.26 -5.16 119.74 109.51 2kki s LYS 67 Ca 0.15 0.07 0.07 0.00 -1.00 0.00 0.00 55.97 55.26 2kki s LYS 67 Cb 0.13 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 2kki s LYS 67 CO 0.01 -0.04 -0.09 0.96 0.10 0.00 0.00 175.35 176.29 2kki s ILE 68 N -0.27 3.42 -0.11 3.79 -5.25 -1.26 -4.74 121.20 116.78 2kki s ILE 68 Ca -0.04 -1.29 -0.02 0.00 -0.99 0.00 0.00 60.65 58.31 2kki s ILE 68 Cb -0.03 -2.62 -0.03 0.00 2.95 0.00 0.00 42.46 42.73 2kki s ILE 68 CO 0.01 0.08 -0.02 0.28 -1.79 0.00 0.00 174.94 173.50 2kki s THR 69 N -1.29 4.11 0.29 8.37 -1.32 -1.25 -3.42 115.64 121.13 2kki s THR 69 Ca 0.22 -0.31 0.09 0.00 -1.21 0.00 0.00 61.69 60.49 2kki s THR 69 Cb -0.11 -2.75 -0.06 0.00 -1.51 0.00 0.00 72.50 68.07 2kki s THR 69 CO 0.14 0.56 -0.12 0.68 -2.21 0.00 0.00 174.62 173.67 2kki s VAL 70 N -0.37 2.07 -0.17 5.08 -7.23 -0.38 -0.76 120.40 118.65 2kki s VAL 70 Ca 0.07 -2.23 -0.06 0.00 -1.81 0.00 0.00 61.98 57.94 2kki s VAL 70 Cb -0.12 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2kki s VAL 70 CO 0.02 -0.33 0.04 0.27 -0.31 0.00 0.00 175.10 174.79 2kki s ILE 71 N -2.74 4.60 -0.28 -0.62 -5.25 0.60 -2.56 121.20 114.94 2kki s ILE 71 Ca 0.30 -0.11 -0.08 0.00 -0.99 0.00 0.00 60.65 59.78 2kki s ILE 71 Cb 0.01 -3.05 -0.01 0.00 2.95 0.00 0.00 42.46 42.36 2kki s ILE 71 CO 0.14 0.49 0.09 -0.22 -1.79 0.00 0.00 174.94 173.64 2kki s LEU 72 N 0.21 3.77 0.04 0.37 2.96 -1.26 -3.05 118.68 121.72 2kki s LEU 72 Ca 0.03 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 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 -0.15 -0.09 0.00 -1.32 0.00 0.00 176.35 174.81 2kki s ARG 73 N 1.56 0.59 -0.11 1.98 1.70 -1.01 -3.05 118.95 120.61 2kki s ARG 73 Ca 0.04 -0.67 -0.24 0.00 -0.47 0.00 0.00 55.73 54.40 2kki s ARG 73 Cb -0.16 -0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 33.73 2kki s ARG 73 CO 0.03 0.10 0.73 0.96 -1.08 0.00 0.00 175.30 176.04 2kki s ILE 74 N -1.06 5.00 0.61 4.99 -4.36 -1.25 0.26 121.20 125.38 2kki s ILE 74 Ca -0.05 1.47 0.27 0.00 -0.26 0.00 0.00 60.65 62.08 2kki s ILE 74 Cb -0.08 -4.06 0.36 0.00 1.25 0.00 0.00 42.46 39.93 2kki s ILE 74 CO 0.01 0.17 1.73 0.28 0.24 0.00 0.00 174.94 177.37 2kki h SER 75 N 7.01 0.00 0.00 4.36 0.02 -0.52 -3.25 113.55 121.18 2kki h SER 75 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2kki h SER 75 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2kki h SER 75 CO 0.78 0.00 -0.09 0.11 -1.14 0.00 0.00 176.83 176.49 2kki h LYS 76 N 0.00 0.00 -5.78 3.45 1.79 -1.92 -3.48 116.57 110.63 2kki h LYS 76 Ca 0.24 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.11 2kki h LYS 76 Cb 1.53 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.08 2kki h LYS 76 CO -0.00 0.00 -0.52 -0.08 -1.08 0.00 0.00 179.45 177.77 2kki s THR 77 N -1.64 2.11 -1.08 -0.16 -1.32 -1.23 -5.05 115.64 107.27 2kki s THR 77 Ca -0.02 -1.79 -0.04 0.00 -1.21 0.00 0.00 61.69 58.62 2kki s THR 77 Cb 0.00 -2.90 0.31 0.00 -1.51 0.00 0.00 72.50 68.40 2kki s THR 77 CO 0.04 0.00 1.46 0.00 -2.21 0.00 0.00 174.62 173.90 2kki n GLN 78 N -1.19 4.41 -3.55 7.08 0.00 -1.26 -4.40 117.38 118.48 2kki n GLN 78 Ca -0.03 -4.55 -0.40 0.00 0.00 0.00 0.00 57.00 52.01 2kki n GLN 78 Cb 0.65 -2.51 -0.11 0.00 0.00 0.00 0.00 30.24 28.27 2kki n GLN 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kki s LEU 79 N -2.69 4.51 0.18 2.61 1.43 -1.26 -3.21 118.68 120.25 2kki s LEU 79 Ca 0.31 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 2kki s LEU 79 Cb 0.04 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2kki s LEU 79 CO 0.09 -0.26 0.13 -0.72 0.23 0.00 0.00 176.35 175.83 2kki s TYR 80 N 1.69 3.11 -0.26 0.29 -0.85 0.27 -3.75 117.35 117.84 2kki s TYR 80 Ca 0.05 -0.05 -0.27 0.00 -0.52 0.00 0.00 57.07 56.29 2kki s TYR 80 Cb -0.18 -1.47 0.00 0.00 0.38 0.00 0.00 41.96 40.69 2kki s TYR 80 CO 0.09 0.52 0.94 0.08 -1.52 0.00 0.00 175.55 175.66 2kki s VAL 81 N -1.82 4.72 -0.01 -3.49 1.01 -1.17 -0.61 120.40 119.03 2kki s VAL 81 Ca 0.31 1.71 -0.05 0.00 0.00 0.00 0.00 61.98 63.96 2kki s VAL 81 Cb -0.10 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2kki s VAL 81 CO 0.23 -0.20 0.22 0.28 0.00 0.00 0.00 175.10 175.63 2kki s THR 82 N 3.11 5.38 -0.27 3.92 -1.32 -0.42 -2.84 115.64 123.20 2kki s THR 82 Ca 0.39 0.01 -0.10 0.00 -1.21 0.00 0.00 61.69 60.79 2kki s THR 82 Cb -0.15 -3.54 -0.04 0.00 -1.51 0.00 0.00 72.50 67.26 2kki s THR 82 CO 0.09 0.36 0.14 0.00 -2.21 0.00 0.00 174.62 173.00 2kki s ALA 83 N -1.30 3.39 0.00 11.08 0.00 -1.07 -3.07 121.76 130.79 2kki s ALA 83 Ca 0.27 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2kki s ALA 83 Cb -0.13 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.67 2kki s ALA 83 CO 0.17 -0.52 0.00 0.94 0.00 0.00 0.00 175.76 176.34 2kki n GLN 84 N 5.00 0.00 -3.51 0.00 -0.06 -1.26 -4.94 117.38 112.61 2kki n GLN 84 Ca -0.15 0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 54.64 2kki n GLN 84 Cb 0.52 0.00 -0.13 0.00 -4.06 0.00 0.00 30.24 26.56 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 1.86 0.68 1.69 2.15 -1.26 -4.84 116.67 115.95 2kki s ASP 85 Ca 0.00 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.48 2kki s ASP 85 Cb 0.00 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.82 2kki s ASP 85 CO 0.00 -0.35 0.00 1.21 -0.17 0.00 0.00 175.17 175.86 2kki n GLU 86 N 5.30 0.00 -1.91 4.34 2.13 -1.05 -3.39 120.64 126.05 2kki n GLU 86 Ca -0.05 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.44 2kki n GLU 86 Cb 0.48 0.00 -0.05 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 0.86 3.14 -3.67 4.31 -0.08 -0.88 -2.72 116.55 117.51 2kki n ASP 87 Ca 0.00 -2.72 -0.12 0.00 -1.51 0.00 0.00 54.79 50.44 2kki n ASP 87 Cb 0.00 -1.61 -0.12 0.00 2.34 0.00 0.00 41.12 41.73 2kki n ASP 87 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kki s GLN 88 N 5.90 0.19 0.60 -0.67 -0.21 -1.22 -4.90 119.66 119.36 2kki s GLN 88 Ca 0.64 0.78 -0.20 0.00 0.02 0.00 0.00 55.36 56.61 2kki s GLN 88 Cb 0.03 0.03 -0.03 0.00 1.00 0.00 0.00 33.01 34.04 2kki s GLN 88 CO 0.12 -0.26 1.33 -0.35 -2.12 0.00 0.00 175.29 174.01 2kki n PRO 89 N 5.20 1.42 -1.75 2.91 -0.04 -1.26 -3.25 135.00 138.23 2kki n PRO 89 Ca -0.09 0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 2kki n PRO 89 Cb 0.50 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 2kki n PRO 89 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2kki s VAL 90 N -1.33 2.34 0.01 0.52 -7.23 -0.97 -4.75 120.40 108.99 2kki s VAL 90 Ca 0.77 0.09 -0.04 0.00 -1.81 0.00 0.00 61.98 61.00 2kki s VAL 90 Cb -0.40 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 2kki s VAL 90 CO 0.45 0.00 0.21 -0.76 -0.31 0.00 0.00 175.10 174.70 2kki s LEU 91 N 1.92 4.36 -0.59 1.32 1.43 -1.17 -4.73 118.68 121.22 2kki s LEU 91 Ca 0.77 0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 54.08 2kki s LEU 91 Cb -0.47 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.15 2kki s LEU 91 CO 0.34 0.24 0.75 -0.76 0.23 0.00 0.00 176.35 177.15 2kki s LEU 92 N -1.97 5.08 -0.26 1.79 1.43 -0.95 -1.31 118.68 122.50 2kki s LEU 92 Ca 0.28 -1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 51.97 2kki s LEU 92 Cb -0.13 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.70 2kki s LEU 92 CO 0.19 -1.15 0.56 -0.75 0.23 0.00 0.00 176.35 175.43 2kki s LYS 93 N 2.99 4.09 -0.79 1.70 2.47 0.22 -4.81 119.74 125.60 2kki s LYS 93 Ca 0.15 0.41 -0.18 0.00 -1.56 0.00 0.00 55.97 54.79 2kki s LYS 93 Cb -0.22 -3.65 0.15 0.00 -1.46 0.00 0.00 37.83 32.65 2kki s LYS 93 CO 0.08 -0.37 0.89 -1.21 0.16 0.00 0.00 175.35 174.90 2kki s GLU 94 N 2.38 3.42 -0.23 4.03 2.02 -1.26 -0.57 118.70 128.48 2kki s GLU 94 Ca 0.23 -1.81 -0.01 0.00 0.02 0.00 0.00 54.97 53.40 2kki s GLU 94 Cb -0.16 -4.56 0.02 0.00 0.10 0.00 0.00 34.13 29.54 2kki s GLU 94 CO 0.09 -1.56 -0.08 1.41 0.02 0.00 0.00 175.26 175.13 2kki s MET 95 N 1.98 2.90 -0.02 1.61 1.75 -1.20 -4.97 119.30 121.35 2kki s MET 95 Ca 0.22 -0.93 -0.30 0.00 -1.25 0.00 0.00 55.69 53.43 2kki s MET 95 Cb -0.13 -2.92 -0.04 0.00 2.84 0.00 0.00 34.83 34.59 2kki s MET 95 CO -0.04 -0.35 1.26 -1.25 -0.65 0.00 0.00 175.02 173.99 2kki s PRO 96 N 1.33 4.34 0.33 4.11 0.04 -1.26 -4.64 135.00 139.25 2kki s PRO 96 Ca 0.01 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2kki s PRO 96 Cb -0.16 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2kki s PRO 96 CO -0.06 -0.47 0.00 -1.91 0.04 0.00 0.00 177.00 174.61 2kki n GLU 97 N 5.10 -2.72 -2.55 4.56 4.07 -1.26 -4.91 120.64 122.93 2kki n GLU 97 Ca 0.11 2.05 -0.42 0.00 -0.06 0.00 0.00 57.16 58.84 2kki n GLU 97 Cb 0.45 -2.38 -0.03 0.00 -0.06 0.00 0.00 31.44 29.43 2kki n GLU 97 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2kki s ILE 98 N -3.48 4.42 0.48 6.31 -1.09 -1.26 -5.02 121.20 121.56 2kki s ILE 98 Ca 0.00 1.73 -0.20 0.00 -2.23 0.00 0.00 60.65 59.95 2kki s ILE 98 Cb 0.00 -4.11 -0.09 0.00 -1.58 0.00 0.00 42.46 36.68 2kki s ILE 98 CO 0.00 0.08 1.01 -2.16 -1.23 0.00 0.00 174.94 172.64 2kki s PRO 99 N 1.49 3.91 0.00 2.79 0.04 -1.26 -4.95 135.00 137.01 2kki s PRO 99 Ca 0.55 1.24 0.22 0.00 0.04 0.00 0.00 61.00 63.04 2kki s PRO 99 Cb -0.24 -2.12 -0.14 0.00 0.04 0.00 0.00 34.50 32.03 2kki s PRO 99 CO 0.25 -0.32 0.91 0.36 0.04 0.00 0.00 177.00 178.24 2kki n LYS 100 N -1.00 0.11 -3.71 4.56 2.85 -1.26 -4.85 118.16 114.85 2kki n LYS 100 Ca 0.08 -0.02 -0.26 0.00 -1.05 0.00 0.00 58.31 57.06 2kki n LYS 100 Cb 0.53 -1.51 -0.17 0.00 -0.65 0.00 0.00 35.03 33.23 2kki n LYS 100 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2kki s THR 101 N -3.08 0.32 -0.39 0.58 -4.23 -1.24 -0.96 115.64 106.64 2kki s THR 101 Ca 0.06 -0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.18 2kki s THR 101 Cb 0.16 -0.78 0.04 0.00 1.34 0.00 0.00 72.50 73.26 2kki s THR 101 CO 0.85 -0.10 0.24 -0.63 -0.54 0.00 0.00 174.62 174.44 2kki s ILE 102 N 1.96 4.63 -0.15 2.99 1.01 0.03 -4.31 121.20 127.38 2kki s ILE 102 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2kki s ILE 102 Cb -0.16 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.69 2kki s ILE 102 CO -0.07 -0.32 -0.14 0.28 0.00 0.00 0.00 174.94 174.68 2kki s THR 103 N 1.55 1.58 0.00 2.92 -1.32 -0.98 -3.71 115.64 115.68 2kki s THR 103 Ca 0.02 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 2kki s THR 103 Cb -0.20 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.31 2kki s THR 103 CO 0.06 0.46 0.00 0.61 -2.21 0.00 0.00 174.62 173.54 2kki n GLY 104 N 4.73 0.00 0.19 6.08 0.00 -1.26 -2.87 105.19 112.06 2kki n GLY 104 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.01 1.61 0.02 -2.01 -2.73 113.55 110.44 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 -2.45 1.02 0.00 3.45 -0.58 -1.14 -3.91 120.64 117.04 2kki n GLU 106 Ca -0.00 -0.03 0.04 0.00 -0.42 0.00 0.00 57.16 56.75 2kki n GLU 106 Cb 0.15 -1.23 0.19 0.00 -0.57 0.00 0.00 31.44 29.97 2kki n GLU 106 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2kki n THR 107 N -0.70 1.34 -0.02 2.62 -2.24 -1.03 -1.79 114.28 112.46 2kki n THR 107 Ca 0.11 0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 62.15 2kki n THR 107 Cb 0.06 -1.19 0.10 0.00 -2.10 0.00 0.00 70.33 67.19 2kki n THR 107 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2kki h ASN 108 N 0.00 0.63 -0.62 3.42 2.35 -1.86 -3.23 115.58 116.26 2kki h ASN 108 Ca 0.00 -0.28 -0.39 0.00 -0.55 0.00 0.00 56.30 55.08 2kki h ASN 108 Cb 0.14 -0.18 -0.19 0.00 0.05 0.00 0.00 38.32 38.15 2kki h ASN 108 CO 0.00 0.96 0.50 -0.11 -1.65 0.00 0.00 177.43 177.12 2kki n LEU 109 N -4.03 6.26 -4.81 1.61 7.94 -0.74 -2.61 117.00 120.61 2kki n LEU 109 Ca -0.02 -3.29 -0.36 0.00 -1.11 0.00 0.00 56.01 51.23 2kki n LEU 109 Cb 0.52 -0.91 -0.07 0.00 0.53 0.00 0.00 43.42 43.48 2kki n LEU 109 CO 0.45 1.12 -0.21 -1.48 -1.11 0.00 0.00 177.39 176.17 2kki s LEU 110 N -2.26 4.14 -0.07 -1.96 0.05 -1.22 -4.37 118.68 113.00 2kki s LEU 110 Ca 0.39 0.36 -0.03 0.00 0.05 0.00 0.00 54.13 54.90 2kki s LEU 110 Cb 0.31 -2.00 0.04 0.00 -2.05 0.00 0.00 46.19 42.49 2kki s LEU 110 CO 0.02 0.38 0.13 -0.36 -0.55 0.00 0.00 176.35 175.97 2kki s PHE 111 N -0.87 -0.11 -0.54 3.48 0.08 -1.06 -3.96 117.98 115.00 2kki s PHE 111 Ca 0.14 0.47 -0.25 0.00 0.12 0.00 0.00 56.93 57.41 2kki s PHE 111 Cb -0.12 -0.26 0.04 0.00 -0.57 0.00 0.00 43.02 42.11 2kki s PHE 111 CO 0.03 -0.21 0.99 0.12 -0.10 0.00 0.00 175.22 176.05 2kki s PHE 112 N 1.88 2.78 -0.51 0.36 5.36 0.36 -1.25 117.98 126.97 2kki s PHE 112 Ca -0.01 0.13 -0.20 0.00 -0.96 0.00 0.00 56.93 55.89 2kki s PHE 112 Cb -0.12 -4.15 0.05 0.00 -0.34 0.00 0.00 43.02 38.46 2kki s PHE 112 CO -0.05 -1.36 0.68 -0.46 -1.46 0.00 0.00 175.22 172.57 2kki s TRP 113 N 4.12 3.00 -0.41 10.12 -0.00 -1.25 -1.14 118.94 133.38 2kki s TRP 113 Ca 0.34 -0.38 -0.12 0.00 -0.00 0.00 0.00 56.10 55.94 2kki s TRP 113 Cb -0.11 -3.61 0.05 0.00 -0.00 0.00 0.00 33.47 29.80 2kki s TRP 113 CO 0.22 -1.07 0.27 -2.00 -0.00 0.00 0.00 176.95 174.37 2kki s GLU 114 N 2.89 2.80 -0.26 5.86 2.12 -0.78 -4.96 118.70 126.37 2kki s GLU 114 Ca 0.19 -1.25 -0.12 0.00 0.36 0.00 0.00 54.97 54.15 2kki s GLU 114 Cb -0.17 -3.85 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 2kki s GLU 114 CO 0.14 -0.85 0.21 -0.08 -0.54 0.00 0.00 175.26 174.14 2kki s THR 115 N 1.54 5.31 -0.34 -1.70 -1.32 -1.26 -1.06 115.64 116.82 2kki s THR 115 Ca 0.03 0.25 -0.00 0.00 -1.21 0.00 0.00 61.69 60.76 2kki s THR 115 Cb -0.21 -3.55 0.11 0.00 -1.51 0.00 0.00 72.50 67.34 2kki s THR 115 CO 0.06 0.28 0.14 -2.28 -2.21 0.00 0.00 174.62 170.60 2kki s HIS 116 N 1.49 1.58 0.00 9.09 5.04 -1.06 -5.03 115.29 126.40 2kki s HIS 116 Ca 0.09 -1.80 0.00 0.00 -1.54 0.00 0.00 55.06 51.81 2kki s HIS 116 Cb -0.15 -1.62 0.00 0.00 0.04 0.00 0.00 32.58 30.85 2kki s HIS 116 CO 0.08 -0.85 0.00 0.41 -2.34 0.00 0.00 174.74 172.04 2kki n GLY 117 N 4.56 1.75 0.32 1.59 0.00 -1.26 -3.77 105.19 108.38 2kki n GLY 117 Ca 0.01 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 1.10 -2.14 2.61 -2.24 -1.26 -4.99 114.28 107.35 2kki n THR 118 Ca 0.00 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 2kki n THR 118 Cb 0.00 -1.65 -0.01 0.00 -2.10 0.00 0.00 70.33 66.57 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 -2.37 3.75 0.08 -0.78 -2.85 -1.25 -4.08 119.74 112.24 2kki s LYS 119 Ca -0.28 0.89 -0.16 0.00 -1.00 0.00 0.00 55.97 55.42 2kki s LYS 119 Cb 0.10 -2.10 0.03 0.00 -2.06 0.00 0.00 37.83 33.79 2kki s LYS 119 CO 0.37 -0.44 0.37 -0.80 0.10 0.00 0.00 175.35 174.94 2kki s ASN 120 N -3.52 -0.20 0.31 0.03 -0.87 0.26 -2.55 114.94 108.40 2kki s ASN 120 Ca 0.58 -0.22 0.08 0.00 -1.57 0.00 0.00 52.86 51.73 2kki s ASN 120 Cb -0.11 0.42 -0.04 0.00 -0.02 0.00 0.00 41.25 41.50 2kki s ASN 120 CO 0.41 -0.73 0.11 -0.31 -2.57 0.00 0.00 177.10 174.01 2kki s TYR 121 N -3.13 2.76 -0.31 2.20 2.02 -0.22 -1.07 117.35 119.61 2kki s TYR 121 Ca -0.01 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2kki s TYR 121 Cb 0.01 -1.49 0.10 0.00 -0.40 0.00 0.00 41.96 40.18 2kki s TYR 121 CO -0.07 0.44 0.08 -0.06 -1.57 0.00 0.00 175.55 174.37 2kki s PHE 122 N -2.35 2.19 0.03 2.71 0.08 -1.24 -1.86 117.98 117.54 2kki s PHE 122 Ca 0.35 -2.01 -0.20 0.00 0.12 0.00 0.00 56.93 55.20 2kki s PHE 122 Cb -0.05 -1.97 -0.06 0.00 -0.57 0.00 0.00 43.02 40.37 2kki s PHE 122 CO 0.22 -0.88 0.57 0.99 -0.10 0.00 0.00 175.22 176.02 2kki s THR 123 N 1.45 4.84 -0.01 0.64 2.01 -0.30 -0.97 115.64 123.31 2kki s THR 123 Ca 0.09 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.99 2kki s THR 123 Cb -0.18 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 2kki s THR 123 CO -0.20 0.49 1.40 -0.55 -0.69 0.00 0.00 174.62 175.07 2kki s SER 124 N -0.65 6.85 0.41 3.53 0.15 -0.46 0.14 113.70 123.66 2kki s SER 124 Ca 0.29 2.10 0.22 0.00 0.70 0.00 0.00 55.95 59.27 2kki s SER 124 Cb -0.19 -2.56 0.75 0.00 -1.71 0.00 0.00 66.02 62.32 2kki s SER 124 CO 0.18 -0.73 1.75 0.58 1.20 0.00 0.00 173.24 176.22 2kki h VAL 125 N 4.95 0.61 -0.05 4.45 2.07 -1.89 -2.46 116.25 123.94 2kki h VAL 125 Ca -0.38 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 65.77 2kki h VAL 125 Cb 1.18 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2kki h VAL 125 CO 0.91 0.27 -0.21 0.00 0.02 0.00 0.00 177.57 178.55 2kki h ALA 126 N 1.73 0.09 -2.49 1.67 0.00 -1.88 -3.44 119.26 114.94 2kki h ALA 126 Ca -0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 2kki h ALA 126 Cb 0.86 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.32 2kki h ALA 126 CO 0.04 0.07 -0.53 -1.58 0.00 0.00 0.00 179.25 177.24 2kki s HIS 127 N -3.63 -0.51 0.40 0.00 5.65 -0.96 -5.04 115.29 111.21 2kki s HIS 127 Ca -0.15 0.76 0.10 0.00 0.25 0.00 0.00 55.06 56.02 2kki s HIS 127 Cb 0.02 -0.09 0.90 0.00 -1.18 0.00 0.00 32.58 32.23 2kki s HIS 127 CO 0.74 -0.53 1.96 -1.00 -0.65 0.00 0.00 174.74 175.26 2kki h PRO 128 N 8.26 0.56 0.00 2.88 0.13 -1.79 -0.78 132.00 141.25 2kki h PRO 128 Ca -0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2kki h PRO 128 Cb 1.13 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2kki h PRO 128 CO 0.21 0.37 0.00 -1.71 -0.23 0.00 0.00 178.00 176.64 2kki n ASN 129 N -4.48 0.00 -4.75 1.44 5.15 -1.26 -3.90 115.26 107.46 2kki n ASN 129 Ca 0.11 0.12 -0.36 0.00 -0.60 0.00 0.00 54.58 53.85 2kki n ASN 129 Cb 0.33 -0.26 -0.07 0.00 -0.53 0.00 0.00 39.78 39.25 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kki s LEU 130 N -2.53 4.26 -0.14 1.20 1.02 -0.30 -1.69 118.68 120.50 2kki s LEU 130 Ca 0.09 0.44 -0.12 0.00 0.02 0.00 0.00 54.13 54.55 2kki s LEU 130 Cb 0.06 -2.27 0.04 0.00 0.02 0.00 0.00 46.19 44.04 2kki s LEU 130 CO 0.14 0.16 0.37 0.12 0.02 0.00 0.00 176.35 177.15 2kki s PHE 131 N 0.24 -0.42 -0.66 0.29 2.19 -0.44 -1.35 117.98 117.82 2kki s PHE 131 Ca 0.14 1.01 -0.22 0.00 0.33 0.00 0.00 56.93 58.18 2kki s PHE 131 Cb -0.12 0.15 0.07 0.00 -1.31 0.00 0.00 43.02 41.80 2kki s PHE 131 CO 0.02 -0.21 0.96 0.42 1.83 0.00 0.00 175.22 178.25 2kki s ILE 132 N 0.30 4.34 0.23 3.12 -1.09 -0.15 -2.72 121.20 125.24 2kki s ILE 132 Ca -0.01 -0.41 -0.01 0.00 -2.23 0.00 0.00 60.65 57.99 2kki s ILE 132 Cb -0.03 -4.68 -0.04 0.00 -1.58 0.00 0.00 42.46 36.12 2kki s ILE 132 CO -0.01 -1.45 0.43 0.00 -1.23 0.00 0.00 174.94 172.69 2kki s ALA 133 N 4.00 3.78 -0.09 9.38 0.00 -0.17 -4.29 121.76 134.36 2kki s ALA 133 Ca 0.22 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2kki s ALA 133 Cb -0.17 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 20.91 2kki s ALA 133 CO 0.10 0.37 -0.10 0.95 0.00 0.00 0.00 175.76 177.07 2kki s THR 134 N -1.94 1.12 0.05 0.00 -4.23 0.33 -3.37 115.64 107.60 2kki s THR 134 Ca 0.40 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.52 2kki s THR 134 Cb -0.11 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 2kki s THR 134 CO 0.30 0.37 0.05 -0.54 -0.54 0.00 0.00 174.62 174.25 2kki s LYS 135 N 1.19 2.84 0.34 3.99 -0.14 -1.26 -3.27 119.74 123.42 2kki s LYS 135 Ca -0.04 -0.66 0.17 0.00 -1.36 0.00 0.00 55.97 54.08 2kki s LYS 135 Cb -0.14 -2.71 0.53 0.00 -1.68 0.00 0.00 37.83 33.83 2kki s LYS 135 CO -0.03 0.59 1.66 0.37 -0.76 0.00 0.00 175.35 177.19 2kki h GLN 136 N 3.70 0.00 0.00 1.68 4.15 -1.93 -3.38 115.11 119.32 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 0.62 0.44 -0.61 -0.25 -1.93 0.00 0.00 178.83 177.11 2kki n ASP 137 N -3.50 2.65 -3.94 -0.69 9.92 -1.26 -4.91 116.55 114.82 2kki n ASP 137 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 2kki n ASP 137 Cb 0.57 0.12 0.05 0.00 -0.64 0.00 0.00 41.12 41.21 2kki n ASP 137 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2kki n TYR 138 N -1.84 -2.62 -1.74 1.24 4.01 -1.26 -4.93 117.16 110.02 2kki n TYR 138 Ca 0.00 -1.39 -0.33 0.00 -0.16 0.00 0.00 57.90 56.02 2kki n TYR 138 Cb 0.30 -0.39 0.04 0.00 -0.31 0.00 0.00 39.34 38.98 2kki n TYR 138 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2kki s TRP 139 N -1.53 2.73 -0.41 -0.72 0.51 -1.26 -4.07 118.94 114.19 2kki s TRP 139 Ca 0.42 1.53 -0.28 0.00 -2.12 0.00 0.00 56.10 55.65 2kki s TRP 139 Cb -0.03 -3.10 -0.01 0.00 -0.81 0.00 0.00 33.47 29.52 2kki s TRP 139 CO 0.27 -1.54 1.66 0.14 -0.51 0.00 0.00 176.95 176.97 2kki s VAL 140 N -2.48 3.61 0.00 4.03 -7.23 0.12 -4.38 120.40 114.06 2kki s VAL 140 Ca 0.65 0.58 0.00 0.00 -1.81 0.00 0.00 61.98 61.40 2kki s VAL 140 Cb -0.19 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 32.84 2kki s VAL 140 CO 0.43 -0.65 0.00 0.00 -0.31 0.00 0.00 175.10 174.57 2kki s LEU 142 N 0.00 2.48 0.21 0.00 2.96 -1.20 -1.00 118.68 122.12 2kki s LEU 142 Ca 0.00 -1.02 -0.22 0.00 -0.22 0.00 0.00 54.13 52.66 2kki s LEU 142 Cb 0.00 -0.11 0.05 0.00 0.50 0.00 0.00 46.19 46.63 2kki s LEU 142 CO 0.00 -0.45 0.68 0.00 -1.32 0.00 0.00 176.35 175.25 2kki s ALA 143 N -3.58 -1.44 -0.30 5.97 0.00 -1.10 -2.07 121.76 119.23 2kki s ALA 143 Ca 0.14 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.27 2kki s ALA 143 Cb 0.05 0.85 0.43 0.00 0.00 0.00 0.00 23.12 24.45 2kki s ALA 143 CO -0.03 -0.90 1.56 0.41 0.00 0.00 0.00 175.76 176.81 2kki n GLY 144 N -0.41 3.50 0.00 0.00 0.00 -0.68 -1.33 105.19 106.26 2kki n GLY 144 Ca -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.47 0.97 3.33 -0.02 0.00 -1.26 -4.56 105.19 103.18 2kki n GLY 145 Ca 0.37 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 3.31 0.00 1.61 0.04 -1.26 -4.71 135.00 133.54 2kki s PRO 146 Ca 0.00 -0.73 0.08 0.00 0.04 0.00 0.00 61.00 60.39 2kki s PRO 146 Cb 0.00 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 2kki s PRO 146 CO 0.00 0.19 0.50 -0.35 0.04 0.00 0.00 177.00 177.39 2kki n PRO 147 N 3.56 2.72 -2.93 0.56 -0.04 -1.26 -5.01 135.00 132.61 2kki n PRO 147 Ca -0.18 -0.42 -0.37 0.00 -0.04 0.00 0.00 63.50 62.49 2kki n PRO 147 Cb 0.53 -0.98 -0.06 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.28 7.24 -0.81 3.54 0.01 -1.26 -4.99 113.70 116.16 2kki s SER 148 Ca 0.06 1.66 -0.26 0.00 1.31 0.00 0.00 55.95 58.72 2kki s SER 148 Cb 0.06 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.82 2kki s SER 148 CO 0.22 0.01 1.30 -0.63 0.41 0.00 0.00 173.24 174.54 2kki s ILE 149 N -1.52 3.83 -0.31 1.44 -1.09 -1.20 -4.81 121.20 117.55 2kki s ILE 149 Ca 0.46 0.03 -0.00 0.00 -2.23 0.00 0.00 60.65 58.91 2kki s ILE 149 Cb -0.19 -4.93 0.25 0.00 -1.58 0.00 0.00 42.46 36.01 2kki s ILE 149 CO 0.23 -1.84 1.90 0.35 -1.23 0.00 0.00 174.94 174.35 2kki n THR 150 N 6.45 2.66 -3.69 2.92 -2.24 -1.26 0.12 114.28 119.24 2kki n THR 150 Ca 0.10 -1.54 -0.34 0.00 -2.27 0.00 0.00 64.05 60.00 2kki n THR 150 Cb 0.49 -1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.47 2kki n THR 150 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kki s ASP 151 N 0.05 6.54 0.18 3.42 1.01 -1.26 -3.98 116.67 122.63 2kki s ASP 151 Ca 0.31 0.64 -0.01 0.00 0.71 0.00 0.00 52.55 54.20 2kki s ASP 151 Cb 0.25 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 42.02 2kki s ASP 151 CO 0.01 0.21 0.10 0.72 0.21 0.00 0.00 175.17 176.42 2kki s PHE 152 N -1.37 1.06 -0.13 4.23 -0.71 -0.23 -3.72 117.98 117.11 2kki s PHE 152 Ca 0.31 -1.32 -0.20 0.00 -1.04 0.00 0.00 56.93 54.67 2kki s PHE 152 Cb -0.13 -0.54 0.05 0.00 -1.21 0.00 0.00 43.02 41.18 2kki s PHE 152 CO 0.18 -0.58 0.52 -0.65 -1.34 0.00 0.00 175.22 173.35 2kki s GLN 153 N -4.11 0.73 -0.36 1.99 -0.21 0.40 0.89 119.66 118.98 2kki s GLN 153 Ca 0.33 0.45 -0.18 0.00 0.02 0.00 0.00 55.36 55.98 2kki s GLN 153 Cb 0.07 0.34 -0.00 0.00 1.00 0.00 0.00 33.01 34.43 2kki s GLN 153 CO 0.08 -0.15 0.51 0.96 -2.12 0.00 0.00 175.29 174.58 2kki s ILE 154 N -0.36 5.01 -0.22 1.08 -4.36 -1.26 -2.78 121.20 118.31 2kki s ILE 154 Ca -0.05 0.27 -0.06 0.00 -0.26 0.00 0.00 60.65 60.55 2kki s ILE 154 Cb -0.03 -3.98 -0.03 0.00 1.25 0.00 0.00 42.46 39.67 2kki s ILE 154 CO 0.03 -0.25 0.02 -0.76 0.24 0.00 0.00 174.94 174.22 2kki s LEU 155 N 2.40 3.32 0.46 0.37 1.43 0.10 -4.89 118.68 121.87 2kki s LEU 155 Ca 0.18 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 2kki s LEU 155 Cb -0.15 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 2kki s LEU 155 CO 0.14 0.03 0.79 -1.83 0.23 0.00 0.00 176.35 175.70 2kki s GLU 156 N 1.24 3.62 0.65 1.70 -1.05 -1.26 -1.21 118.70 122.39 2kki s GLU 156 Ca 0.04 0.31 -0.06 0.00 -0.15 0.00 0.00 54.97 55.10 2kki s GLU 156 Cb -0.15 -2.37 0.04 0.00 -0.44 0.00 0.00 34.13 31.21 2kki s GLU 156 CO 0.02 -0.17 0.97 0.54 0.95 0.00 0.00 175.26 177.57 2kki s ASN 157 N -3.81 5.19 -0.06 0.83 4.22 -1.26 -4.52 114.94 115.53 2kki s ASN 157 Ca 0.49 0.60 -0.18 0.00 -2.14 0.00 0.00 52.86 51.63 2kki s ASN 157 Cb -0.10 -1.41 -0.13 0.00 1.28 0.00 0.00 41.25 40.88 2kki s ASN 157 CO 0.41 -1.35 0.69 -0.61 -2.04 0.00 0.00 177.10 174.21 2kki h GLN 158 N -0.41 -0.22 0.00 3.55 4.15 -1.91 -3.46 115.11 116.80 2kki h GLN 158 Ca -0.45 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.99 2kki h GLN 158 Cb 1.29 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.03 2kki h GLN 158 CO 0.61 0.16 0.00 0.00 -1.93 0.00 0.00 178.83 177.66