#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 5.18 -0.00 2.41 1.01 -1.26 -4.70 120.40 123.04 2kki s VAL 10 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 2kki s VAL 10 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2kki s VAL 10 CO 0.00 0.22 0.14 -0.54 0.00 0.00 0.00 175.10 174.92 2kki s LYS 11 N 1.50 3.28 -0.21 2.72 3.01 -1.23 -4.99 119.74 123.82 2kki s LYS 11 Ca 0.19 -0.40 -0.03 0.00 -1.01 0.00 0.00 55.97 54.72 2kki s LYS 11 Cb -0.15 -2.99 -0.01 0.00 -1.01 0.00 0.00 37.83 33.67 2kki s LYS 11 CO 0.08 0.66 -0.06 0.71 0.51 0.00 0.00 175.35 177.25 2kki s TYR 12 N -1.29 2.93 -0.41 3.18 2.02 -1.25 0.45 117.35 122.99 2kki s TYR 12 Ca 0.26 -0.94 -0.03 0.00 -0.37 0.00 0.00 57.07 55.99 2kki s TYR 12 Cb -0.12 -2.06 0.11 0.00 -0.40 0.00 0.00 41.96 39.48 2kki s TYR 12 CO 0.17 -0.52 0.20 0.54 -1.57 0.00 0.00 175.55 174.38 2kki s ASN 13 N 1.32 5.27 -0.26 2.29 6.03 -0.07 -4.03 114.94 125.50 2kki s ASN 13 Ca 0.04 -1.98 -0.18 0.00 -1.03 0.00 0.00 52.86 49.71 2kki s ASN 13 Cb -0.14 -1.84 -0.03 0.00 -3.03 0.00 0.00 41.25 36.21 2kki s ASN 13 CO -0.03 -0.54 0.51 0.12 -2.03 0.00 0.00 177.10 175.13 2kki s PHE 14 N 1.16 3.27 0.00 1.54 5.36 -0.50 -3.59 117.98 125.21 2kki s PHE 14 Ca 0.07 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 2kki s PHE 14 Cb -0.23 -2.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.74 2kki s PHE 14 CO -0.04 -0.27 0.00 -0.12 -1.46 0.00 0.00 175.22 173.33 2kki n MET 15 N 5.49 0.00 -3.58 10.12 0.00 -1.05 -2.68 117.12 125.42 2kki n MET 15 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.70 57.54 2kki n MET 15 Cb 0.50 -0.09 -0.05 0.00 0.00 0.00 0.00 33.22 33.58 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 -0.74 0.64 -0.39 2.12 1.70 0.65 -4.94 118.95 117.99 2kki s ARG 16 Ca 0.00 0.19 -0.28 0.00 -0.47 0.00 0.00 55.73 55.17 2kki s ARG 16 Cb 0.00 0.30 0.02 0.00 -0.57 0.00 0.00 34.95 34.70 2kki s ARG 16 CO 0.00 -0.19 1.02 0.42 -1.08 0.00 0.00 175.30 175.47 2kki s ILE 17 N -1.02 4.46 0.00 4.99 1.09 -1.26 -0.95 121.20 128.51 2kki s ILE 17 Ca -0.02 1.34 0.00 0.00 -1.10 0.00 0.00 60.65 60.86 2kki s ILE 17 Cb -0.01 -4.43 0.00 0.00 -1.06 0.00 0.00 42.46 36.96 2kki s ILE 17 CO 0.02 -0.66 0.00 -0.38 -0.10 0.00 0.00 174.94 173.82 2kki n ILE 18 N 6.19 0.00 -4.09 2.92 5.41 -1.05 -4.93 119.36 123.80 2kki n ILE 18 Ca 0.10 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.62 2kki n ILE 18 Cb 0.48 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.37 2kki n ILE 18 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2kki s LYS 19 N 1.85 2.97 0.13 0.38 2.47 -1.08 -4.91 119.74 121.54 2kki s LYS 19 Ca 0.00 -0.99 -0.11 0.00 -1.56 0.00 0.00 55.97 53.31 2kki s LYS 19 Cb 0.00 -2.61 0.01 0.00 -1.46 0.00 0.00 37.83 33.76 2kki s LYS 19 CO 0.00 0.42 0.29 1.52 0.16 0.00 0.00 175.35 177.74 2kki s TYR 20 N -2.04 0.11 -1.41 4.03 -0.85 -1.26 -0.59 117.35 115.34 2kki s TYR 20 Ca 0.33 -0.49 -0.08 0.00 -0.52 0.00 0.00 57.07 56.30 2kki s TYR 20 Cb -0.08 0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.32 2kki s TYR 20 CO 0.25 -0.66 1.05 -1.91 -1.52 0.00 0.00 175.55 172.76 2kki n GLU 21 N -0.16 -7.27 -4.07 -3.49 2.13 -0.45 -4.96 120.64 102.37 2kki n GLU 21 Ca -0.13 0.85 -0.23 0.00 0.66 0.00 0.00 57.16 58.31 2kki n GLU 21 Cb 0.63 -5.87 -0.04 0.00 0.27 0.00 0.00 31.44 26.43 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 -3.29 3.21 -0.13 4.31 -0.12 -1.21 -4.94 117.98 115.81 2kki s PHE 22 Ca 0.52 -0.05 -0.12 0.00 -0.05 0.00 0.00 56.93 57.24 2kki s PHE 22 Cb -0.23 -1.49 -0.05 0.00 -0.63 0.00 0.00 43.02 40.63 2kki s PHE 22 CO 0.65 0.51 0.25 0.42 -0.05 0.00 0.00 175.22 176.99 2kki s ILE 23 N -1.96 5.32 -0.27 -4.49 -1.09 -0.53 -2.48 121.20 115.69 2kki s ILE 23 Ca 0.33 0.46 -0.12 0.00 -2.23 0.00 0.00 60.65 59.09 2kki s ILE 23 Cb -0.09 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 2kki s ILE 23 CO 0.25 0.47 0.25 -0.22 -1.23 0.00 0.00 174.94 174.47 2kki s LEU 24 N -0.10 4.03 0.01 2.97 0.20 -1.26 -0.75 118.68 123.79 2kki s LEU 24 Ca 0.16 0.10 0.01 0.00 0.69 0.00 0.00 54.13 55.10 2kki s LEU 24 Cb -0.13 -2.23 -0.01 0.00 -0.43 0.00 0.00 46.19 43.39 2kki s LEU 24 CO 0.04 -0.09 -0.05 0.21 -0.29 0.00 0.00 176.35 176.18 2kki s ASN 25 N 1.67 0.56 0.66 3.68 2.47 -1.11 -0.83 114.94 122.04 2kki s ASN 25 Ca 0.10 -0.28 -0.01 0.00 0.42 0.00 0.00 52.86 53.10 2kki s ASN 25 Cb -0.16 -0.01 0.11 0.00 -1.45 0.00 0.00 41.25 39.74 2kki s ASN 25 CO 0.10 -0.07 0.74 -0.90 -3.72 0.00 0.00 177.10 173.25 2kki n ASP 26 N 2.33 0.95 0.25 -4.21 5.75 -1.25 0.12 116.55 120.48 2kki n ASP 26 Ca -0.17 -1.81 0.16 0.00 -0.01 0.00 0.00 54.79 52.96 2kki n ASP 26 Cb 0.57 -0.48 0.65 0.00 -1.03 0.00 0.00 41.12 40.83 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 -0.62 1.00 0.00 2.12 0.00 -1.85 0.23 119.26 120.14 2kki h ALA 27 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kki h ALA 27 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2kki h ALA 27 CO 0.26 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.44 2kki h LEU 28 N 0.00 0.00 -2.66 0.00 3.38 -1.91 -3.48 115.31 110.64 2kki h LEU 28 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2kki h LEU 28 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kki h LEU 28 CO 0.00 0.00 -0.48 0.59 0.09 0.00 0.00 178.44 178.64 2kki n ASN 29 N -2.58 -7.19 -3.63 -0.43 5.03 0.80 -5.00 115.26 102.25 2kki n ASN 29 Ca 0.03 0.03 -0.24 0.00 0.87 0.00 0.00 54.58 55.27 2kki n ASN 29 Cb 0.37 -4.42 -0.17 0.00 -1.02 0.00 0.00 39.78 34.54 2kki n ASN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kki s GLN 30 N -3.04 0.01 0.06 3.52 0.00 -1.26 -4.06 119.66 114.89 2kki s GLN 30 Ca 0.14 0.08 -0.31 0.00 -0.00 0.00 0.00 55.36 55.27 2kki s GLN 30 Cb -0.03 -1.38 -0.08 0.00 0.00 0.00 0.00 33.01 31.52 2kki s GLN 30 CO 0.79 -0.56 1.56 -1.12 0.00 0.00 0.00 175.29 175.97 2kki s SER 31 N 2.15 6.68 -0.48 12.60 0.01 0.89 -3.72 113.70 131.84 2kki s SER 31 Ca 0.03 2.38 -0.28 0.00 1.31 0.00 0.00 55.95 59.39 2kki s SER 31 Cb -0.15 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.52 2kki s SER 31 CO -0.07 -0.82 1.61 -0.51 0.41 0.00 0.00 173.24 173.85 2kki s ILE 32 N 2.41 3.64 0.18 1.44 1.10 -0.01 -0.70 121.20 129.26 2kki s ILE 32 Ca 0.70 0.57 0.03 0.00 -0.51 0.00 0.00 60.65 61.44 2kki s ILE 32 Cb -0.37 -4.08 -0.03 0.00 0.15 0.00 0.00 42.46 38.12 2kki s ILE 32 CO 0.30 -0.84 0.32 -0.63 -2.11 0.00 0.00 174.94 171.99 2kki s ILE 33 N 6.80 5.29 -0.37 2.00 1.01 -0.76 -2.29 121.20 132.88 2kki s ILE 33 Ca 0.64 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 60.29 2kki s ILE 33 Cb -0.15 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.56 2kki s ILE 33 CO 0.28 -0.18 0.95 -0.60 0.00 0.00 0.00 174.94 175.39 2kki s ARG 34 N -3.48 3.86 -0.14 2.79 3.52 -1.26 -2.61 118.95 121.63 2kki s ARG 34 Ca 0.35 0.63 -0.03 0.00 -0.13 0.00 0.00 55.73 56.55 2kki s ARG 34 Cb -0.10 -3.80 -0.24 0.00 -1.56 0.00 0.00 34.95 29.24 2kki s ARG 34 CO 0.29 -0.96 0.28 0.00 -0.81 0.00 0.00 175.30 174.10 2kki n ALA 35 N 6.83 1.03 -2.63 6.12 0.00 -1.18 -4.97 120.51 125.71 2kki n ALA 35 Ca 0.08 -0.70 -0.09 0.00 0.00 0.00 0.00 53.44 52.72 2kki n ALA 35 Cb 0.48 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 19.27 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 -6.86 0.08 0.00 0.00 3.84 -0.01 -4.99 114.94 107.00 2kki s ASN 36 Ca -0.23 -0.75 0.21 0.00 0.21 0.00 0.00 52.86 52.30 2kki s ASN 36 Cb 0.07 0.39 1.11 0.00 -0.55 0.00 0.00 41.25 42.27 2kki s ASN 36 CO 0.75 -0.81 1.66 0.47 -2.79 0.00 0.00 177.10 176.37 2kki n ASP 37 N -0.14 0.00 -0.00 -4.21 8.00 -1.26 -2.86 116.55 116.08 2kki n ASP 37 Ca -0.11 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.18 2kki n ASP 37 Cb 0.63 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 2kki n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kki n GLN 38 N -1.20 1.94 -4.81 -1.24 3.00 -1.26 -4.66 117.38 109.16 2kki n GLN 38 Ca 0.12 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.83 2kki n GLN 38 Cb 0.14 -1.04 -0.17 0.00 0.00 0.00 0.00 30.24 29.17 2kki n GLN 38 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2kki s TYR 39 N -2.07 1.86 -0.07 1.08 1.51 -1.13 -3.73 117.35 114.80 2kki s TYR 39 Ca -0.01 -0.73 0.05 0.00 -1.01 0.00 0.00 57.07 55.37 2kki s TYR 39 Cb 0.01 -1.31 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 2kki s TYR 39 CO 0.06 -0.33 -0.21 -1.17 -1.11 0.00 0.00 175.55 172.79 2kki s LEU 40 N 0.56 1.98 -0.05 -1.29 2.96 -1.26 -0.83 118.68 120.75 2kki s LEU 40 Ca -0.16 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 2kki s LEU 40 Cb -0.17 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.32 2kki s LEU 40 CO 0.05 0.17 -0.15 0.28 -1.32 0.00 0.00 176.35 175.38 2kki s THR 41 N 0.14 1.32 0.07 3.68 -1.32 -1.07 -0.73 115.64 117.72 2kki s THR 41 Ca -0.09 -0.64 -0.14 0.00 -1.21 0.00 0.00 61.69 59.61 2kki s THR 41 Cb -0.15 -1.15 -0.06 0.00 -1.51 0.00 0.00 72.50 69.64 2kki s THR 41 CO 0.05 0.39 0.46 0.00 -2.21 0.00 0.00 174.62 173.31 2kki s ALA 42 N 0.20 3.66 -0.14 11.08 0.00 -1.26 -1.83 121.76 133.47 2kki s ALA 42 Ca -0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 2kki s ALA 42 Cb -0.12 -2.42 0.05 0.00 0.00 0.00 0.00 23.12 20.63 2kki s ALA 42 CO 0.03 0.49 0.35 0.00 0.00 0.00 0.00 175.76 176.62 2kki s ALA 43 N -1.28 -0.86 0.05 0.00 0.00 0.13 -4.68 121.76 115.11 2kki s ALA 43 Ca 0.31 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 2kki s ALA 43 Cb -0.16 -0.75 -0.09 0.00 0.00 0.00 0.00 23.12 22.12 2kki s ALA 43 CO 0.17 -0.22 1.96 0.00 0.00 0.00 0.00 175.76 177.68 2kki n ALA 44 N 3.88 1.67 -1.84 0.00 0.00 -1.26 -0.07 120.51 122.88 2kki n ALA 44 Ca -0.21 0.22 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 2kki n ALA 44 Cb 0.55 -2.68 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 2kki n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kki s LEU 45 N 4.29 3.51 0.00 0.00 2.01 -1.26 -4.79 118.68 122.44 2kki s LEU 45 Ca 0.88 1.53 0.00 0.00 0.01 0.00 0.00 54.13 56.55 2kki s LEU 45 Cb -0.44 -4.50 0.00 0.00 0.01 0.00 0.00 46.19 41.27 2kki s LEU 45 CO 0.41 -0.68 0.00 1.41 1.01 0.00 0.00 176.35 178.50 2kki n HIS 46 N -1.93 0.00 1.27 0.29 8.25 -1.26 -4.56 115.22 117.29 2kki n HIS 46 Ca 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.65 2kki n HIS 46 Cb 0.54 0.00 0.37 0.00 1.12 0.00 0.00 29.99 32.02 2kki n HIS 46 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2kki n ASN 47 N -0.37 1.30 0.00 0.41 2.85 -1.26 -4.99 115.26 113.21 2kki n ASN 47 Ca 0.00 -1.14 0.00 0.00 -0.11 0.00 0.00 54.58 53.33 2kki n ASN 47 Cb 0.00 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.15 2kki n ASN 47 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2kki n LEU 48 N -0.32 0.00 -4.51 1.20 4.77 -1.26 -3.84 117.00 113.04 2kki n LEU 48 Ca 0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 2kki n LEU 48 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2kki n LEU 48 CO 0.23 0.00 1.40 -0.62 -1.33 0.00 0.00 177.39 177.07 2kki s ASP 49 N 0.00 6.71 0.00 -1.43 2.15 -1.26 -4.05 116.67 118.79 2kki s ASP 49 Ca 0.00 -2.11 0.00 0.00 0.43 0.00 0.00 52.55 50.87 2kki s ASP 49 Cb 0.00 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2kki s ASP 49 CO 0.00 -1.16 0.00 1.21 -0.17 0.00 0.00 175.17 175.05 2kki n GLU 50 N 7.46 0.69 -1.72 4.34 4.07 -1.26 -5.07 120.64 129.14 2kki n GLU 50 Ca 0.34 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.13 2kki n GLU 50 Cb 0.48 -0.29 0.04 0.00 -0.06 0.00 0.00 31.44 31.61 2kki n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kki s ALA 51 N -0.80 2.82 0.10 4.31 0.00 -1.26 -4.94 121.76 121.99 2kki s ALA 51 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.58 2kki s ALA 51 Cb 0.00 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 2kki s ALA 51 CO 0.00 -1.06 1.34 0.14 0.00 0.00 0.00 175.76 176.17 2kki s VAL 52 N -3.15 3.50 -0.16 0.00 -7.23 -0.97 -4.83 120.40 107.56 2kki s VAL 52 Ca 0.57 1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 61.68 2kki s VAL 52 Cb -0.12 -3.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.08 2kki s VAL 52 CO 0.54 0.09 0.32 -1.59 -0.31 0.00 0.00 175.10 174.15 2kki s LYS 53 N 1.05 4.27 0.42 4.82 -2.85 -1.26 -4.17 119.74 122.03 2kki s LYS 53 Ca 0.63 0.15 0.08 0.00 -1.00 0.00 0.00 55.97 55.83 2kki s LYS 53 Cb -0.35 -3.43 0.01 0.00 -2.06 0.00 0.00 37.83 32.00 2kki s LYS 53 CO 0.30 0.22 0.54 -0.06 0.10 0.00 0.00 175.35 176.45 2kki s PHE 54 N 0.52 2.80 -0.02 1.78 0.40 -1.04 -0.12 117.98 122.29 2kki s PHE 54 Ca 0.18 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 2kki s PHE 54 Cb -0.13 -2.35 0.02 0.00 0.51 0.00 0.00 43.02 41.07 2kki s PHE 54 CO 0.05 -0.38 0.00 0.34 0.70 0.00 0.00 175.22 175.93 2kki s ASP 55 N -4.32 0.33 -0.11 1.36 2.15 0.15 -1.34 116.67 114.89 2kki s ASP 55 Ca 0.54 -0.02 -0.03 0.00 0.43 0.00 0.00 52.55 53.48 2kki s ASP 55 Cb -0.09 -0.18 -0.03 0.00 -0.30 0.00 0.00 42.92 42.32 2kki s ASP 55 CO 0.32 -0.09 -0.01 -0.04 -0.17 0.00 0.00 175.17 175.18 2kki s MET 56 N 0.92 3.26 -0.05 4.34 -1.94 0.24 -2.28 119.30 123.79 2kki s MET 56 Ca -0.09 -0.45 -0.00 0.00 -1.71 0.00 0.00 55.69 53.44 2kki s MET 56 Cb -0.12 -2.85 0.03 0.00 2.01 0.00 0.00 34.83 33.90 2kki s MET 56 CO -0.02 0.52 -0.02 0.20 -0.01 0.00 0.00 175.02 175.69 2kki s GLY 57 N -0.37 0.42 0.11 -0.03 0.00 -1.08 -2.53 107.32 103.84 2kki s GLY 57 Ca 0.07 -0.04 -0.23 0.00 0.00 0.00 0.00 44.72 44.51 2kki s GLY 57 CO 0.02 0.75 0.71 0.00 0.00 0.00 0.00 173.10 174.58 2kki s ALA 58 N 1.35 3.47 0.04 3.20 0.00 -0.13 0.41 121.76 130.11 2kki s ALA 58 Ca -0.04 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2kki s ALA 58 Cb -0.13 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 2kki s ALA 58 CO -0.02 0.27 -0.07 0.71 0.00 0.00 0.00 175.76 176.65 2kki s TYR 59 N -0.89 0.59 -0.04 0.00 2.02 0.06 -0.26 117.35 118.83 2kki s TYR 59 Ca 0.34 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2kki s TYR 59 Cb -0.21 -0.36 0.03 0.00 -0.40 0.00 0.00 41.96 41.02 2kki s TYR 59 CO 0.23 -0.10 0.09 0.21 -1.57 0.00 0.00 175.55 174.41 2kki s LYS 60 N -1.53 0.03 0.15 -0.62 2.20 -1.09 -4.09 119.74 114.79 2kki s LYS 60 Ca -0.11 0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.81 2kki s LYS 60 Cb -0.10 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 35.99 2kki s LYS 60 CO 0.00 -0.15 -0.08 -1.54 -0.36 0.00 0.00 175.35 173.22 2kki s SER 61 N 1.03 1.64 -0.25 1.43 1.04 -1.26 -2.36 113.70 114.99 2kki s SER 61 Ca -0.08 -1.05 -0.03 0.00 0.48 0.00 0.00 55.95 55.27 2kki s SER 61 Cb -0.11 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.07 2kki s SER 61 CO -0.04 -0.39 2.55 -1.20 0.98 0.00 0.00 173.24 175.14 2kki n SER 62 N -0.20 6.06 -1.46 7.02 7.64 -1.26 -3.75 113.62 127.66 2kki n SER 62 Ca -0.10 -2.89 -0.05 0.00 1.01 0.00 0.00 58.87 56.84 2kki n SER 62 Cb 0.61 -1.19 0.10 0.00 -1.01 0.00 0.00 64.21 62.72 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 1.10 2.05 0.00 1.43 3.00 -1.26 -5.05 118.16 119.44 2kki n LYS 63 Ca 0.33 -3.43 0.00 0.00 -0.00 0.00 0.00 58.31 55.21 2kki n LYS 63 Cb 0.62 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 34.05 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 -0.69 0.00 0.00 3.14 9.92 -1.25 -5.09 116.55 122.59 2kki n ASP 64 Ca 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 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 -0.67 0.13 0.00 0.00 177.20 176.66 2kki n ASP 65 N 0.00 0.00 -0.26 -2.24 2.03 -1.26 -4.92 116.55 109.90 2kki n ASP 65 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 2kki n ASP 65 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 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 -1.92 2.00 -3.19 -1.67 0.00 -1.26 -5.08 120.51 109.38 2kki n ALA 66 Ca 0.00 -1.54 -0.13 0.00 0.00 0.00 0.00 53.44 51.77 2kki n ALA 66 Cb 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.11 0.48 0.09 0.00 -2.85 -1.26 -5.16 119.74 109.93 2kki s LYS 67 Ca 0.12 0.10 0.03 0.00 -1.00 0.00 0.00 55.97 55.21 2kki s LYS 67 Cb 0.10 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 2kki s LYS 67 CO 0.01 -0.10 0.13 0.96 0.10 0.00 0.00 175.35 176.45 2kki s ILE 68 N -0.56 4.78 -0.12 3.79 -0.00 -1.26 -4.74 121.20 123.08 2kki s ILE 68 Ca -0.07 -0.71 -0.03 0.00 -0.00 0.00 0.00 60.65 59.85 2kki s ILE 68 Cb -0.04 -3.34 -0.03 0.00 -0.00 0.00 0.00 42.46 39.06 2kki s ILE 68 CO 0.02 0.09 -0.02 0.42 -0.00 0.00 0.00 174.94 175.44 2kki s THR 69 N -1.48 4.05 0.30 8.37 -4.23 -1.25 -3.68 115.64 117.72 2kki s THR 69 Ca 0.31 -0.32 0.10 0.00 -1.18 0.00 0.00 61.69 60.60 2kki s THR 69 Cb -0.12 -2.74 -0.06 0.00 1.34 0.00 0.00 72.50 70.93 2kki s THR 69 CO 0.24 0.54 -0.14 0.68 -0.54 0.00 0.00 174.62 175.40 2kki s VAL 70 N -0.21 2.26 -0.17 2.29 -7.23 -0.64 -0.76 120.40 115.94 2kki s VAL 70 Ca 0.04 -2.29 -0.05 0.00 -1.81 0.00 0.00 61.98 57.88 2kki s VAL 70 Cb -0.13 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 2kki s VAL 70 CO 0.02 -0.32 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.86 2kki s ILE 71 N -2.62 4.11 -0.26 -0.62 1.09 0.17 -2.69 121.20 120.37 2kki s ILE 71 Ca 0.31 -0.28 -0.07 0.00 -1.10 0.00 0.00 60.65 59.51 2kki s ILE 71 Cb -0.01 -2.82 -0.01 0.00 -1.06 0.00 0.00 42.46 38.56 2kki s ILE 71 CO 0.15 0.48 0.07 -0.22 -0.10 0.00 0.00 174.94 175.31 2kki s LEU 72 N 0.47 3.54 0.07 2.97 2.96 -1.26 -2.64 118.68 124.78 2kki s LEU 72 Ca -0.02 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2kki s LEU 72 Cb -0.14 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2kki s LEU 72 CO 0.02 -0.09 -0.07 0.00 -1.32 0.00 0.00 176.35 174.89 2kki s ARG 73 N 1.57 0.66 -0.12 1.98 1.70 -0.96 -3.21 118.95 120.56 2kki s ARG 73 Ca 0.05 -1.00 -0.26 0.00 -0.47 0.00 0.00 55.73 54.05 2kki s ARG 73 Cb -0.16 -0.25 -0.02 0.00 -0.57 0.00 0.00 34.95 33.95 2kki s ARG 73 CO 0.03 0.02 0.83 0.96 -1.08 0.00 0.00 175.30 176.06 2kki s ILE 74 N -2.34 4.91 0.61 4.99 -4.36 -1.24 0.30 121.20 124.07 2kki s ILE 74 Ca -0.01 1.67 0.27 0.00 -0.26 0.00 0.00 60.65 62.33 2kki s ILE 74 Cb -0.03 -4.15 0.35 0.00 1.25 0.00 0.00 42.46 39.88 2kki s ILE 74 CO -0.02 0.09 1.76 0.28 0.24 0.00 0.00 174.94 177.30 2kki h SER 75 N 7.11 0.00 0.00 4.36 0.02 -0.78 -3.10 113.55 121.16 2kki h SER 75 Ca -0.34 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2kki h SER 75 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 2kki h SER 75 CO 0.81 0.00 -0.21 0.50 -1.14 0.00 0.00 176.83 176.79 2kki h LYS 76 N 0.00 0.00 -5.84 3.45 1.63 -1.92 -3.48 116.57 110.41 2kki h LYS 76 Ca 0.21 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.43 2kki h LYS 76 Cb 1.40 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.94 2kki h LYS 76 CO -0.00 0.26 -0.48 0.99 -3.45 0.00 0.00 179.45 176.77 2kki s THR 77 N -1.89 2.14 -1.08 1.00 2.01 -1.17 -5.05 115.64 111.61 2kki s THR 77 Ca -0.09 -1.71 -0.04 0.00 0.31 0.00 0.00 61.69 60.16 2kki s THR 77 Cb 0.00 -2.85 0.30 0.00 0.01 0.00 0.00 72.50 69.97 2kki s THR 77 CO 0.22 0.00 1.43 1.67 -0.69 0.00 0.00 174.62 177.25 2kki n GLN 78 N -1.28 4.33 -3.52 4.92 -0.06 -1.26 -4.20 117.38 116.31 2kki n GLN 78 Ca -0.03 -4.55 -0.39 0.00 -2.00 0.00 0.00 57.00 50.03 2kki n GLN 78 Cb 0.65 -2.51 -0.10 0.00 -4.06 0.00 0.00 30.24 24.21 2kki n GLN 78 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2kki s LEU 79 N -2.61 4.27 -0.05 1.69 1.02 -1.26 -3.79 118.68 117.95 2kki s LEU 79 Ca 0.31 -0.17 -0.01 0.00 0.02 0.00 0.00 54.13 54.29 2kki s LEU 79 Cb 0.03 -2.19 -0.03 0.00 0.02 0.00 0.00 46.19 44.02 2kki s LEU 79 CO 0.08 -0.18 0.02 -0.47 0.02 0.00 0.00 176.35 175.82 2kki s TYR 80 N 1.82 3.16 -0.27 0.29 6.14 0.12 -3.65 117.35 124.96 2kki s TYR 80 Ca 0.08 0.17 -0.23 0.00 0.64 0.00 0.00 57.07 57.73 2kki s TYR 80 Cb -0.17 -1.75 -0.01 0.00 0.42 0.00 0.00 41.96 40.46 2kki s TYR 80 CO 0.11 0.49 0.76 0.08 0.64 0.00 0.00 175.55 177.63 2kki s VAL 81 N -0.99 4.85 -0.11 3.14 1.01 -1.20 -0.53 120.40 126.58 2kki s VAL 81 Ca 0.16 1.30 -0.07 0.00 0.00 0.00 0.00 61.98 63.38 2kki s VAL 81 Cb -0.11 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2kki s VAL 81 CO 0.06 -0.12 0.15 0.28 0.00 0.00 0.00 175.10 175.47 2kki s THR 82 N 2.81 5.48 -0.30 3.92 -1.32 -0.73 -1.65 115.64 123.85 2kki s THR 82 Ca 0.32 0.20 -0.09 0.00 -1.21 0.00 0.00 61.69 60.91 2kki s THR 82 Cb -0.15 -3.42 -0.01 0.00 -1.51 0.00 0.00 72.50 67.40 2kki s THR 82 CO 0.10 0.59 0.14 0.00 -2.21 0.00 0.00 174.62 173.24 2kki s ALA 83 N -1.06 3.28 0.00 11.08 0.00 -1.00 -3.18 121.76 130.89 2kki s ALA 83 Ca 0.16 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2kki s ALA 83 Cb -0.12 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2kki s ALA 83 CO 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 175.76 175.01 2kki n GLN 84 N 4.98 0.00 -3.52 0.00 10.64 -1.26 -4.93 117.38 123.29 2kki n GLN 84 Ca -0.14 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.82 2kki n GLN 84 Cb 0.50 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.74 2kki n GLN 84 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2kki s ASP 85 N -1.00 1.76 0.74 2.61 2.15 -1.26 -4.86 116.67 116.81 2kki s ASP 85 Ca 0.00 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2kki s ASP 85 Cb 0.00 0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.80 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 5.30 0.00 -1.85 4.34 4.07 -1.03 -3.37 120.64 128.10 2kki n GLU 86 Ca -0.06 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.67 2kki n GLU 86 Cb 0.49 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.83 2kki n GLU 86 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kki n ASP 87 N 0.55 3.34 -3.68 4.31 2.03 -0.82 -3.08 116.55 119.20 2kki n ASP 87 Ca 0.00 -2.75 -0.09 0.00 0.52 0.00 0.00 54.79 52.47 2kki n ASP 87 Cb 0.00 -1.55 -0.10 0.00 -0.72 0.00 0.00 41.12 38.75 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 5.27 0.38 0.60 -0.67 -1.52 -1.22 -4.91 119.66 117.60 2kki s GLN 88 Ca 0.60 0.92 -0.20 0.00 -1.95 0.00 0.00 55.36 54.73 2kki s GLN 88 Cb 0.06 0.13 -0.03 0.00 -0.22 0.00 0.00 33.01 32.96 2kki s GLN 88 CO 0.10 -0.20 1.33 -2.14 -0.25 0.00 0.00 175.29 174.13 2kki s PRO 89 N 1.91 2.81 0.18 2.91 0.02 -1.26 -3.54 135.00 138.03 2kki s PRO 89 Ca -0.06 2.15 -0.32 0.00 0.02 0.00 0.00 61.00 62.79 2kki s PRO 89 Cb -0.10 -2.03 -0.11 0.00 0.02 0.00 0.00 34.50 32.28 2kki s PRO 89 CO -0.13 -1.42 1.70 0.08 -0.33 0.00 0.00 177.00 176.90 2kki s VAL 90 N -1.35 2.29 -0.06 3.83 1.01 -0.87 -4.77 120.40 120.49 2kki s VAL 90 Ca 0.78 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.84 2kki s VAL 90 Cb -0.39 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2kki s VAL 90 CO 0.43 0.01 0.20 -0.76 0.00 0.00 0.00 175.10 174.99 2kki s LEU 91 N 1.48 4.39 -0.58 3.92 1.43 -1.19 -4.86 118.68 123.26 2kki s LEU 91 Ca 0.75 0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 54.16 2kki s LEU 91 Cb -0.47 -2.37 0.10 0.00 0.03 0.00 0.00 46.19 43.47 2kki s LEU 91 CO 0.32 0.33 0.71 -0.76 0.23 0.00 0.00 176.35 177.19 2kki s LEU 92 N -1.40 5.28 -0.29 1.79 1.43 -1.24 -1.77 118.68 122.46 2kki s LEU 92 Ca 0.21 -1.34 -0.19 0.00 -1.03 0.00 0.00 54.13 51.79 2kki s LEU 92 Cb -0.13 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 2kki s LEU 92 CO 0.11 -1.10 0.54 -0.75 0.23 0.00 0.00 176.35 175.38 2kki s LYS 93 N 2.76 3.93 -0.80 1.70 2.36 0.31 -4.73 119.74 125.26 2kki s LYS 93 Ca 0.13 0.21 -0.17 0.00 -2.55 0.00 0.00 55.97 53.58 2kki s LYS 93 Cb -0.23 -3.70 0.15 0.00 -1.05 0.00 0.00 37.83 33.00 2kki s LYS 93 CO 0.07 -0.47 0.89 -2.00 1.55 0.00 0.00 175.35 175.39 2kki s GLU 94 N 2.41 3.45 -0.19 4.03 -6.30 -1.26 0.14 118.70 120.98 2kki s GLU 94 Ca 0.22 -1.88 0.00 0.00 -2.50 0.00 0.00 54.97 50.81 2kki s GLU 94 Cb -0.15 -4.57 0.02 0.00 0.00 0.00 0.00 34.13 29.43 2kki s GLU 94 CO 0.11 -1.54 -0.18 1.41 0.02 0.00 0.00 175.26 175.08 2kki s MET 95 N 1.81 3.03 0.02 4.30 1.75 -1.25 -4.96 119.30 124.00 2kki s MET 95 Ca 0.22 -0.81 -0.30 0.00 -1.25 0.00 0.00 55.69 53.54 2kki s MET 95 Cb -0.12 -2.63 -0.06 0.00 2.84 0.00 0.00 34.83 34.86 2kki s MET 95 CO -0.05 -0.21 1.35 -1.25 -0.65 0.00 0.00 175.02 174.20 2kki s PRO 96 N 1.31 4.32 0.29 4.11 0.04 -1.26 -4.68 135.00 139.13 2kki s PRO 96 Ca 0.05 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2kki s PRO 96 Cb -0.13 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.92 2kki s PRO 96 CO -0.12 -0.50 0.00 0.39 0.04 0.00 0.00 177.00 176.82 2kki n GLU 97 N 4.94 -2.74 -2.24 4.56 -0.58 -1.26 -4.90 120.64 118.42 2kki n GLU 97 Ca 0.12 2.03 -0.42 0.00 -0.42 0.00 0.00 57.16 58.47 2kki n GLU 97 Cb 0.44 -2.28 -0.03 0.00 -0.57 0.00 0.00 31.44 29.00 2kki n GLU 97 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2kki s ILE 98 N -2.60 3.70 0.38 -3.67 -1.09 -1.26 -4.97 121.20 111.68 2kki s ILE 98 Ca 0.00 1.12 -0.26 0.00 -2.23 0.00 0.00 60.65 59.28 2kki s ILE 98 Cb 0.00 -3.72 -0.09 0.00 -1.58 0.00 0.00 42.46 37.07 2kki s ILE 98 CO 0.00 0.02 1.12 -2.84 -1.23 0.00 0.00 174.94 172.01 2kki s PRO 99 N 2.11 4.18 -0.00 2.79 0.02 -1.26 -4.92 135.00 137.91 2kki s PRO 99 Ca 0.63 1.74 0.16 0.00 0.02 0.00 0.00 61.00 63.55 2kki s PRO 99 Cb -0.32 -2.72 -0.18 0.00 0.02 0.00 0.00 34.50 31.30 2kki s PRO 99 CO 0.27 -0.18 0.65 0.36 -0.33 0.00 0.00 177.00 177.77 2kki n LYS 100 N 0.21 1.57 -3.75 5.54 2.85 -1.25 -4.82 118.16 118.52 2kki n LYS 100 Ca 0.04 -0.01 -0.24 0.00 -1.05 0.00 0.00 58.31 57.04 2kki n LYS 100 Cb 0.47 -1.27 -0.17 0.00 -0.65 0.00 0.00 35.03 33.41 2kki n LYS 100 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2kki s THR 101 N -2.58 0.38 -0.46 0.58 -1.32 -1.24 -0.89 115.64 110.11 2kki s THR 101 Ca 0.05 -0.09 -0.14 0.00 -1.21 0.00 0.00 61.69 60.30 2kki s THR 101 Cb 0.12 -0.67 0.07 0.00 -1.51 0.00 0.00 72.50 70.51 2kki s THR 101 CO 0.66 0.09 0.36 -0.51 -2.21 0.00 0.00 174.62 173.01 2kki s ILE 102 N 1.96 5.04 -0.11 5.08 2.07 0.17 -4.25 121.20 131.16 2kki s ILE 102 Ca 0.03 -1.10 0.01 0.00 -1.41 0.00 0.00 60.65 58.18 2kki s ILE 102 Cb -0.14 -4.01 0.02 0.00 0.13 0.00 0.00 42.46 38.46 2kki s ILE 102 CO -0.06 -0.55 -0.12 0.28 -1.91 0.00 0.00 174.94 172.58 2kki s THR 103 N 1.60 1.25 0.00 4.00 -1.32 -1.06 -3.53 115.64 116.58 2kki s THR 103 Ca 0.04 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 2kki s THR 103 Cb -0.24 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 2kki s THR 103 CO 0.06 0.40 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 2kki n GLY 104 N 4.45 0.00 0.31 6.08 0.00 -1.26 -3.28 105.19 111.49 2kki n GLY 104 Ca -0.17 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 -2.57 113.55 115.23 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 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2kki n GLU 106 N -3.10 1.00 0.02 4.77 4.71 -1.20 -3.80 120.64 123.05 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 -1.22 0.36 0.00 -1.01 0.00 0.00 31.44 29.76 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 -0.72 0.91 -0.04 2.62 5.66 -0.97 -2.81 114.28 118.94 2kki n THR 107 Ca 0.11 0.23 -0.11 0.00 -3.05 0.00 0.00 64.05 61.22 2kki n THR 107 Cb 0.05 -1.00 0.02 0.00 -1.55 0.00 0.00 70.33 67.86 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 0.77 -0.68 1.09 2.35 -1.83 -3.22 115.58 114.07 2kki h ASN 108 Ca 0.00 -0.40 -0.43 0.00 -0.55 0.00 0.00 56.30 54.92 2kki h ASN 108 Cb 0.29 -0.22 -0.20 0.00 0.05 0.00 0.00 38.32 38.24 2kki h ASN 108 CO 0.00 1.14 0.56 0.00 -1.65 0.00 0.00 177.43 177.48 2kki n LEU 109 N -3.99 6.61 -4.86 1.61 -0.00 -0.66 -2.37 117.00 113.34 2kki n LEU 109 Ca -0.03 -3.50 -0.37 0.00 -0.00 0.00 0.00 56.01 52.11 2kki n LEU 109 Cb 0.60 -0.96 -0.06 0.00 -0.00 0.00 0.00 43.42 43.00 2kki n LEU 109 CO 0.48 1.21 -0.14 -1.48 -0.00 0.00 0.00 177.39 177.47 2kki s LEU 110 N -2.50 4.38 -0.05 1.47 0.05 -1.22 -4.31 118.68 116.50 2kki s LEU 110 Ca 0.43 0.50 -0.02 0.00 0.05 0.00 0.00 54.13 55.09 2kki s LEU 110 Cb 0.34 -2.14 0.03 0.00 -2.05 0.00 0.00 46.19 42.38 2kki s LEU 110 CO 0.01 0.37 0.08 -0.36 -0.55 0.00 0.00 176.35 175.91 2kki s PHE 111 N -0.87 -0.03 -0.52 3.48 0.08 -1.09 -3.80 117.98 115.22 2kki s PHE 111 Ca 0.15 0.33 -0.26 0.00 0.12 0.00 0.00 56.93 57.27 2kki s PHE 111 Cb -0.12 -0.30 0.03 0.00 -0.57 0.00 0.00 43.02 42.06 2kki s PHE 111 CO 0.04 -0.17 0.99 0.12 -0.10 0.00 0.00 175.22 176.10 2kki s PHE 112 N 1.70 2.80 -0.47 0.36 5.36 0.33 -1.62 117.98 126.44 2kki s PHE 112 Ca -0.02 0.22 -0.21 0.00 -0.96 0.00 0.00 56.93 55.97 2kki s PHE 112 Cb -0.12 -4.14 0.03 0.00 -0.34 0.00 0.00 43.02 38.45 2kki s PHE 112 CO -0.04 -1.31 0.67 1.67 -1.46 0.00 0.00 175.22 174.75 2kki s TRP 113 N 4.09 3.03 -0.35 10.12 1.48 -1.25 -1.34 118.94 134.72 2kki s TRP 113 Ca 0.36 -0.18 -0.10 0.00 -1.06 0.00 0.00 56.10 55.11 2kki s TRP 113 Cb -0.11 -3.48 0.02 0.00 -1.16 0.00 0.00 33.47 28.74 2kki s TRP 113 CO 0.23 -0.97 0.19 -1.21 -4.06 0.00 0.00 176.95 171.13 2kki s GLU 114 N 2.89 2.99 -0.27 3.25 2.02 -0.50 -4.96 118.70 124.12 2kki s GLU 114 Ca 0.21 -0.96 -0.13 0.00 0.02 0.00 0.00 54.97 54.11 2kki s GLU 114 Cb -0.15 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 2kki s GLU 114 CO 0.17 -0.60 0.27 0.95 0.02 0.00 0.00 175.26 176.06 2kki s THR 115 N 1.57 5.25 -0.33 3.63 -4.23 -1.26 -0.38 115.64 119.89 2kki s THR 115 Ca 0.03 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 60.87 2kki s THR 115 Cb -0.18 -3.60 0.11 0.00 1.34 0.00 0.00 72.50 70.17 2kki s THR 115 CO 0.06 0.21 0.15 -2.28 -0.54 0.00 0.00 174.62 172.22 2kki s HIS 116 N 1.87 1.25 0.00 3.99 5.04 -1.07 -5.03 115.29 121.34 2kki s HIS 116 Ca 0.10 -1.62 0.00 0.00 -1.54 0.00 0.00 55.06 52.01 2kki s HIS 116 Cb -0.16 -1.42 0.00 0.00 0.04 0.00 0.00 32.58 31.04 2kki s HIS 116 CO 0.10 -0.84 0.00 0.41 -2.34 0.00 0.00 174.74 172.07 2kki n GLY 117 N 4.61 1.56 0.29 1.59 0.00 -1.26 -3.49 105.19 108.50 2kki n GLY 117 Ca 0.01 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2kki n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kki n THR 118 N 0.00 1.15 -1.91 2.61 -1.04 -1.26 -4.98 114.28 108.84 2kki n THR 118 Ca 0.00 -0.33 -0.31 0.00 -2.04 0.00 0.00 64.05 61.37 2kki n THR 118 Cb 0.00 -1.65 0.01 0.00 -1.82 0.00 0.00 70.33 66.87 2kki n THR 118 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2kki s LYS 119 N -2.39 3.53 0.02 -2.82 -2.85 -1.23 -4.07 119.74 109.94 2kki s LYS 119 Ca -0.29 0.84 -0.14 0.00 -1.00 0.00 0.00 55.97 55.37 2kki s LYS 119 Cb 0.10 -2.07 0.02 0.00 -2.06 0.00 0.00 37.83 33.82 2kki s LYS 119 CO 0.39 -0.62 0.31 -0.80 0.10 0.00 0.00 175.35 174.73 2kki s ASN 120 N -3.88 -0.16 0.25 0.03 0.02 0.37 -2.59 114.94 108.98 2kki s ASN 120 Ca 0.56 -0.06 0.09 0.00 -1.02 0.00 0.00 52.86 52.44 2kki s ASN 120 Cb -0.12 0.34 -0.04 0.00 0.02 0.00 0.00 41.25 41.45 2kki s ASN 120 CO 0.50 -0.54 0.03 -0.31 0.02 0.00 0.00 177.10 176.79 2kki s TYR 121 N -2.01 2.77 -0.32 2.20 1.51 0.49 -0.84 117.35 121.16 2kki s TYR 121 Ca -0.09 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 2kki s TYR 121 Cb -0.03 -1.24 0.10 0.00 -0.11 0.00 0.00 41.96 40.68 2kki s TYR 121 CO 0.00 0.59 0.11 -0.06 -1.11 0.00 0.00 175.55 175.08 2kki s PHE 122 N -2.23 1.64 0.02 2.71 0.08 -1.24 -1.41 117.98 117.55 2kki s PHE 122 Ca 0.31 -1.73 -0.20 0.00 0.12 0.00 0.00 56.93 55.43 2kki s PHE 122 Cb -0.07 -1.68 -0.06 0.00 -0.57 0.00 0.00 43.02 40.65 2kki s PHE 122 CO 0.20 -0.87 0.57 0.99 -0.10 0.00 0.00 175.22 176.01 2kki s THR 123 N 1.57 4.86 0.01 0.64 2.01 -0.45 -1.31 115.64 122.97 2kki s THR 123 Ca 0.10 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 63.00 2kki s THR 123 Cb -0.18 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.38 2kki s THR 123 CO -0.24 0.48 1.38 -0.55 -0.69 0.00 0.00 174.62 174.99 2kki s SER 124 N -0.56 6.87 0.42 3.53 0.15 -0.40 0.12 113.70 123.83 2kki s SER 124 Ca 0.30 2.11 0.22 0.00 0.70 0.00 0.00 55.95 59.28 2kki s SER 124 Cb -0.18 -2.56 0.76 0.00 -1.71 0.00 0.00 66.02 62.33 2kki s SER 124 CO 0.17 -0.70 1.76 0.58 1.20 0.00 0.00 173.24 176.26 2kki h VAL 125 N 4.85 0.58 -0.05 4.45 2.07 -1.90 -2.34 116.25 123.92 2kki h VAL 125 Ca -0.38 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 2kki h VAL 125 Cb 1.18 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2kki h VAL 125 CO 0.89 0.25 -0.34 0.00 0.02 0.00 0.00 177.57 178.40 2kki h ALA 126 N 1.74 0.11 -2.80 1.67 0.00 -1.88 -3.40 119.26 114.71 2kki h ALA 126 Ca -0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 2kki h ALA 126 Cb 0.86 -0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.28 2kki h ALA 126 CO 0.03 0.19 -0.64 -1.01 0.00 0.00 0.00 179.25 177.83 2kki s HIS 127 N -3.54 -0.20 0.31 0.00 3.76 -0.91 -5.04 115.29 109.67 2kki s HIS 127 Ca -0.14 0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 55.10 2kki s HIS 127 Cb 0.03 -0.35 0.49 0.00 1.11 0.00 0.00 32.58 33.86 2kki s HIS 127 CO 0.78 -0.47 1.96 -1.00 -0.85 0.00 0.00 174.74 175.16 2kki h PRO 128 N 8.34 1.04 0.00 8.40 0.13 -1.79 -1.10 132.00 147.01 2kki h PRO 128 Ca -0.15 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2kki h PRO 128 Cb 1.14 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2kki h PRO 128 CO 0.23 0.69 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 2kki n ASN 129 N -4.43 0.00 -4.72 1.44 4.13 -1.26 -3.95 115.26 106.47 2kki n ASN 129 Ca 0.10 0.02 -0.37 0.00 1.68 0.00 0.00 54.58 56.01 2kki n ASN 129 Cb 0.07 -0.23 -0.07 0.00 -1.54 0.00 0.00 39.78 38.01 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kki s LEU 130 N -2.46 4.24 -0.16 3.41 1.02 -0.42 0.00 118.68 124.32 2kki s LEU 130 Ca 0.12 0.59 -0.16 0.00 0.02 0.00 0.00 54.13 54.70 2kki s LEU 130 Cb 0.08 -2.47 0.04 0.00 0.02 0.00 0.00 46.19 43.86 2kki s LEU 130 CO 0.17 0.05 0.45 0.12 0.02 0.00 0.00 176.35 177.16 2kki s PHE 131 N 0.61 -0.49 -0.71 0.29 2.19 -1.18 -1.28 117.98 117.42 2kki s PHE 131 Ca 0.19 1.17 -0.23 0.00 0.33 0.00 0.00 56.93 58.39 2kki s PHE 131 Cb -0.14 0.17 0.06 0.00 -1.31 0.00 0.00 43.02 41.81 2kki s PHE 131 CO 0.06 -0.25 1.07 0.42 1.83 0.00 0.00 175.22 178.35 2kki s ILE 132 N 0.16 4.19 0.20 3.12 -1.09 -0.42 -2.96 121.20 124.40 2kki s ILE 132 Ca -0.01 -0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.11 2kki s ILE 132 Cb -0.03 -4.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.04 2kki s ILE 132 CO 0.01 -1.57 0.42 0.00 -1.23 0.00 0.00 174.94 172.57 2kki s ALA 133 N 4.40 3.77 -0.09 9.38 0.00 -1.02 -4.15 121.76 134.05 2kki s ALA 133 Ca 0.27 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2kki s ALA 133 Cb -0.13 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.90 2kki s ALA 133 CO 0.09 0.47 -0.12 0.99 0.00 0.00 0.00 175.76 177.19 2kki s THR 134 N -1.85 1.22 -0.00 0.00 2.01 0.38 -3.80 115.64 113.60 2kki s THR 134 Ca 0.40 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.94 2kki s THR 134 Cb -0.11 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 2kki s THR 134 CO 0.28 0.38 0.02 -0.54 -0.69 0.00 0.00 174.62 174.07 2kki s LYS 135 N 1.06 2.85 0.33 4.92 -0.14 -1.26 -2.90 119.74 124.60 2kki s LYS 135 Ca -0.07 -0.58 0.16 0.00 -1.36 0.00 0.00 55.97 54.12 2kki s LYS 135 Cb -0.15 -2.71 0.52 0.00 -1.68 0.00 0.00 37.83 33.81 2kki s LYS 135 CO -0.01 0.63 1.67 0.37 -0.76 0.00 0.00 175.35 177.24 2kki h GLN 136 N 4.26 0.00 0.00 1.68 5.75 -1.94 -3.36 115.11 121.51 2kki h GLN 136 Ca -0.49 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 2kki h GLN 136 Cb 1.18 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.73 2kki h GLN 136 CO 0.59 0.47 -0.55 -3.47 -2.65 0.00 0.00 178.83 173.22 2kki n ASP 137 N -3.58 2.73 -4.21 -0.69 2.03 -1.26 -4.83 116.55 106.74 2kki n ASP 137 Ca -0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.13 2kki n ASP 137 Cb 0.57 0.34 0.08 0.00 -0.72 0.00 0.00 41.12 41.38 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 -1.20 -2.75 -1.40 -0.67 4.01 -1.26 -4.97 117.16 108.93 2kki n TYR 138 Ca 0.00 -1.56 -0.31 0.00 -0.16 0.00 0.00 57.90 55.87 2kki n TYR 138 Cb 0.21 -0.53 0.09 0.00 -0.31 0.00 0.00 39.34 38.80 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 -2.21 2.73 -0.41 -0.72 0.52 -1.26 -4.02 118.94 113.57 2kki s TRP 139 Ca 0.52 1.37 -0.28 0.00 0.02 0.00 0.00 56.10 57.73 2kki s TRP 139 Cb -0.03 -3.04 -0.02 0.00 -1.15 0.00 0.00 33.47 29.23 2kki s TRP 139 CO 0.34 -1.76 1.81 0.08 0.02 0.00 0.00 176.95 177.44 2kki s VAL 140 N -3.01 3.45 0.00 4.03 1.01 0.10 -4.37 120.40 121.62 2kki s VAL 140 Ca 0.61 0.42 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2kki s VAL 140 Cb -0.16 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2kki s VAL 140 CO 0.56 -0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.11 2kki s LEU 142 N 0.00 2.34 -0.13 0.00 2.96 -1.23 -2.43 118.68 120.18 2kki s LEU 142 Ca 0.00 -0.70 -0.31 0.00 -0.22 0.00 0.00 54.13 52.91 2kki s LEU 142 Cb 0.00 0.05 0.13 0.00 0.50 0.00 0.00 46.19 46.87 2kki s LEU 142 CO 0.00 -0.38 1.04 0.00 -1.32 0.00 0.00 176.35 175.69 2kki s ALA 143 N -2.32 -1.94 -0.38 5.97 0.00 -1.16 -1.95 121.76 119.97 2kki s ALA 143 Ca -0.06 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.38 2kki s ALA 143 Cb -0.04 -0.33 0.53 0.00 0.00 0.00 0.00 23.12 23.28 2kki s ALA 143 CO -0.03 -0.47 1.77 0.41 0.00 0.00 0.00 175.76 177.43 2kki n GLY 144 N 0.26 4.12 0.00 0.00 0.00 0.10 -3.09 105.19 106.59 2kki n GLY 144 Ca -0.07 -0.96 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 -0.81 1.70 0.00 -0.02 0.00 -1.26 -4.81 105.19 99.99 2kki n GLY 145 Ca 0.49 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.56 135.00 131.77 2kki n PRO 146 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kki n PRO 146 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2kki n PRO 146 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kki n PRO 147 N 0.00 0.00 -2.37 0.52 -0.02 -1.26 -4.86 135.00 127.02 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 6.97 -0.75 2.55 0.01 -1.23 -4.94 113.70 116.31 2kki s SER 148 Ca 0.00 1.93 -0.19 0.00 1.31 0.00 0.00 55.95 59.00 2kki s SER 148 Cb 0.00 -2.56 0.12 0.00 0.21 0.00 0.00 66.02 63.79 2kki s SER 148 CO 0.00 -0.64 0.91 -0.63 0.41 0.00 0.00 173.24 173.29 2kki s ILE 149 N 2.33 4.79 -0.30 1.44 -1.09 -1.14 -4.84 121.20 122.38 2kki s ILE 149 Ca 0.59 -1.26 -0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2kki s ILE 149 Cb -0.27 -4.63 0.24 0.00 -1.58 0.00 0.00 42.46 36.22 2kki s ILE 149 CO 0.23 -1.32 1.90 0.35 -1.23 0.00 0.00 174.94 174.88 2kki n THR 150 N 5.41 2.65 -3.68 2.92 -2.24 -1.26 0.15 114.28 118.22 2kki n THR 150 Ca 0.06 -1.53 -0.35 0.00 -2.27 0.00 0.00 64.05 59.96 2kki n THR 150 Cb 0.46 -1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 67.42 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 0.08 6.57 0.20 3.42 1.01 -1.26 -4.13 116.67 122.56 2kki s ASP 151 Ca 0.31 0.67 -0.01 0.00 0.71 0.00 0.00 52.55 54.23 2kki s ASP 151 Cb 0.25 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 2kki s ASP 151 CO 0.01 0.24 0.11 0.72 0.21 0.00 0.00 175.17 176.46 2kki s PHE 152 N -1.29 1.18 -0.19 4.23 -0.71 -0.02 -3.77 117.98 117.41 2kki s PHE 152 Ca 0.28 -1.32 -0.28 0.00 -1.04 0.00 0.00 56.93 54.58 2kki s PHE 152 Cb -0.14 -0.61 0.09 0.00 -1.21 0.00 0.00 43.02 41.16 2kki s PHE 152 CO 0.16 -0.56 0.81 1.14 -1.34 0.00 0.00 175.22 175.43 2kki s GLN 153 N -4.12 0.80 -0.32 1.99 -2.07 0.32 0.14 119.66 116.41 2kki s GLN 153 Ca 0.36 0.57 -0.19 0.00 -1.82 0.00 0.00 55.36 54.28 2kki s GLN 153 Cb 0.07 0.39 -0.01 0.00 -1.09 0.00 0.00 33.01 32.37 2kki s GLN 153 CO 0.11 -0.17 0.55 0.96 -1.32 0.00 0.00 175.29 175.41 2kki s ILE 154 N -0.35 5.00 -0.24 3.63 -4.36 -1.26 -2.76 121.20 120.86 2kki s ILE 154 Ca -0.03 0.62 -0.08 0.00 -0.26 0.00 0.00 60.65 60.90 2kki s ILE 154 Cb -0.03 -3.94 -0.04 0.00 1.25 0.00 0.00 42.46 39.71 2kki s ILE 154 CO 0.02 -0.12 0.10 -0.76 0.24 0.00 0.00 174.94 174.42 2kki s LEU 155 N 2.44 3.64 0.45 0.37 1.43 0.07 -4.87 118.68 122.21 2kki s LEU 155 Ca 0.21 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.10 2kki s LEU 155 Cb -0.15 -1.98 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 2kki s LEU 155 CO 0.12 -0.00 0.82 -0.70 0.23 0.00 0.00 176.35 176.81 2kki s GLU 156 N 1.44 3.75 0.47 1.70 2.56 -1.26 -1.45 118.70 125.90 2kki s GLU 156 Ca 0.06 0.50 -0.09 0.00 0.00 0.00 0.00 54.97 55.44 2kki s GLU 156 Cb -0.15 -2.34 -0.05 0.00 2.00 0.00 0.00 34.13 33.59 2kki s GLU 156 CO 0.05 -0.13 0.82 1.21 -0.56 0.00 0.00 175.26 176.65 2kki s ASN 157 N -3.38 6.39 -0.02 -1.70 2.47 -1.26 -4.55 114.94 112.89 2kki s ASN 157 Ca 0.52 1.12 -0.23 0.00 0.42 0.00 0.00 52.86 54.68 2kki s ASN 157 Cb -0.10 -2.32 -0.16 0.00 -1.45 0.00 0.00 41.25 37.21 2kki s ASN 157 CO 0.35 -0.54 1.10 1.56 -3.72 0.00 0.00 177.10 175.85 2kki h GLN 158 N 0.62 -0.30 0.00 0.43 1.08 -1.95 -3.49 115.11 111.51 2kki h GLN 158 Ca -0.47 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2kki h GLN 158 Cb 1.19 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2kki h GLN 158 CO 0.63 0.07 0.00 0.00 -0.95 0.00 0.00 178.83 178.57