#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kob s ARG 2 N 0.00 0.08 -0.14 2.12 0.52 -0.65 -1.59 118.95 119.29 3kob s ARG 2 Ca 0.00 0.19 -0.05 0.00 -0.52 0.00 0.00 55.73 55.34 3kob s ARG 2 Cb 0.00 -1.18 -0.04 0.00 0.52 0.00 0.00 34.95 34.25 3kob s ARG 2 CO 0.00 -0.55 0.05 0.54 0.02 0.00 0.00 175.30 175.35 3kob s VAL 3 N 2.23 4.67 -0.36 3.52 0.11 -1.19 -0.30 120.40 129.08 3kob s VAL 3 Ca 0.04 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 3kob s VAL 3 Cb -0.15 -3.05 0.09 0.00 -1.53 0.00 0.00 36.38 31.74 3kob s VAL 3 CO -0.09 0.53 0.11 -0.69 -3.33 0.00 0.00 175.10 171.63 3kob s VAL 4 N -0.22 3.07 0.14 2.04 1.01 0.62 -3.08 120.40 123.98 3kob s VAL 4 Ca 0.07 -1.83 -0.16 0.00 0.00 0.00 0.00 61.98 60.07 3kob s VAL 4 Cb -0.12 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 3kob s VAL 4 CO 0.02 -0.46 0.57 -0.63 0.00 0.00 0.00 175.10 174.60 3kob s ILE 5 N 1.16 4.81 -0.02 2.22 1.01 0.07 -0.76 121.20 129.68 3kob s ILE 5 Ca 0.03 0.94 -0.00 0.00 0.00 0.00 0.00 60.65 61.63 3kob s ILE 5 Cb -0.21 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.51 3kob s ILE 5 CO -0.03 0.30 0.03 -1.10 0.00 0.00 0.00 174.94 174.14 3kob s GLN 6 N -1.80 -0.02 0.28 2.79 -0.21 -0.97 -0.33 119.66 119.41 3kob s GLN 6 Ca 0.37 0.20 -0.29 0.00 0.02 0.00 0.00 55.36 55.65 3kob s GLN 6 Cb -0.16 -0.29 -0.10 0.00 1.00 0.00 0.00 33.01 33.47 3kob s GLN 6 CO 0.19 -0.18 1.21 0.50 -2.12 0.00 0.00 175.29 174.89 3kob s ARG 7 N 1.16 4.49 0.11 2.91 3.52 -0.56 -2.37 118.95 128.21 3kob s ARG 7 Ca -0.08 2.00 -0.01 0.00 -0.13 0.00 0.00 55.73 57.51 3kob s ARG 7 Cb -0.13 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3kob s ARG 7 CO -0.03 -0.02 0.02 0.14 -0.81 0.00 0.00 175.30 174.60 3kob s VAL 8 N -0.91 0.18 -1.03 7.11 -7.23 -0.85 -0.64 120.40 117.03 3kob s VAL 8 Ca 0.48 -1.88 0.09 0.00 -1.81 0.00 0.00 61.98 58.86 3kob s VAL 8 Cb -0.35 -1.87 0.05 0.00 0.56 0.00 0.00 36.38 34.76 3kob s VAL 8 CO 0.45 -0.65 0.73 0.29 -0.31 0.00 0.00 175.10 175.61 3kob n LYS 9 N -0.03 0.84 0.00 4.82 5.02 -0.68 -2.52 118.16 125.61 3kob n LYS 9 Ca -0.08 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 3kob n LYS 9 Cb 0.63 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 3kob n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kob n GLY 10 N 0.61 2.94 3.03 0.72 0.00 -1.13 -2.80 105.19 108.55 3kob n GLY 10 Ca 0.05 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 3kob n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kob s ALA 11 N -2.00 -0.11 -0.25 4.61 0.00 -0.72 -0.55 121.76 122.74 3kob s ALA 11 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 3kob s ALA 11 Cb 0.00 0.09 0.09 0.00 0.00 0.00 0.00 23.12 23.30 3kob s ALA 11 CO 0.00 -0.16 0.12 0.42 0.00 0.00 0.00 175.76 176.14 3kob s ILE 12 N -1.21 -0.08 0.48 0.00 1.01 -0.17 -1.19 121.20 120.04 3kob s ILE 12 Ca -0.13 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 3kob s ILE 12 Cb -0.08 -0.83 -0.08 0.00 0.01 0.00 0.00 42.46 41.49 3kob s ILE 12 CO 0.00 -0.56 0.93 -0.22 0.00 0.00 0.00 174.94 175.09 3kob s LEU 13 N 2.12 3.69 0.00 2.97 0.20 -0.56 -2.88 118.68 124.23 3kob s LEU 13 Ca 0.07 1.45 -0.13 0.00 0.69 0.00 0.00 54.13 56.21 3kob s LEU 13 Cb -0.16 -4.37 0.02 0.00 -0.43 0.00 0.00 46.19 41.24 3kob s LEU 13 CO -0.27 -0.53 0.27 -0.44 -0.29 0.00 0.00 176.35 175.10 3kob s SER 14 N -3.07 -0.13 0.17 3.68 0.01 -0.16 -3.03 113.70 111.17 3kob s SER 14 Ca 0.57 -0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.86 3kob s SER 14 Cb -0.10 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 3kob s SER 14 CO 0.31 -0.48 -0.17 0.68 0.41 0.00 0.00 173.24 174.00 3kob s VAL 15 N -1.67 1.72 0.08 3.43 -7.23 -0.60 -1.93 120.40 114.20 3kob s VAL 15 Ca -0.11 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 57.78 3kob s VAL 15 Cb -0.04 -1.85 -0.15 0.00 0.56 0.00 0.00 36.38 34.90 3kob s VAL 15 CO 0.02 -0.41 1.49 0.03 -0.31 0.00 0.00 175.10 175.92 3kob h ARG 16 N 3.11 -0.82 0.00 4.82 3.08 -1.86 -0.08 114.38 122.62 3kob h ARG 16 Ca -0.41 0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3kob h ARG 16 Cb 1.21 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.45 3kob h ARG 16 CO 0.54 -0.55 0.00 0.36 -1.07 0.00 0.00 179.97 179.25 3kob n LYS 17 N -5.13 0.00 -1.14 0.04 2.85 -1.26 -3.73 118.16 109.79 3kob n LYS 17 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 3kob n LYS 17 Cb 0.40 -0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 3kob n LYS 17 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3kob n GLU 26 N 0.00 -0.95 -4.42 -1.58 2.13 -1.26 -5.14 120.64 109.43 3kob n GLU 26 Ca 0.00 0.71 -0.21 0.00 0.66 0.00 0.00 57.16 58.32 3kob n GLU 26 Cb 0.00 -1.22 -0.10 0.00 0.27 0.00 0.00 31.44 30.39 3kob n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3kob s LEU 27 N -3.42 1.90 -0.07 4.31 1.43 -1.24 -5.08 118.68 116.51 3kob s LEU 27 Ca 0.00 -1.50 -0.05 0.00 -1.03 0.00 0.00 54.13 51.55 3kob s LEU 27 Cb 0.00 -0.10 0.03 0.00 0.03 0.00 0.00 46.19 46.15 3kob s LEU 27 CO 0.00 -0.79 0.17 -0.70 0.23 0.00 0.00 176.35 175.26 3kob s GLU 28 N -3.85 0.16 0.97 1.70 2.12 -0.05 -4.99 118.70 114.75 3kob s GLU 28 Ca 0.33 0.31 -0.11 0.00 0.36 0.00 0.00 54.97 55.86 3kob s GLU 28 Cb 0.06 -0.03 0.17 0.00 0.26 0.00 0.00 34.13 34.59 3kob s GLU 28 CO 0.15 -0.09 1.09 0.42 -0.54 0.00 0.00 175.26 176.29 3kob s ILE 29 N 0.62 2.36 0.00 -3.70 1.01 -1.26 -1.56 121.20 118.67 3kob s ILE 29 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3kob s ILE 29 Cb -0.06 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3kob s ILE 29 CO -0.03 -0.15 0.00 2.30 0.00 0.00 0.00 174.94 177.06 3kob n ILE 30 N -4.24 0.00 -3.85 2.92 -5.35 -1.17 -4.79 119.36 102.87 3kob n ILE 30 Ca 0.07 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 3kob n ILE 30 Cb 0.54 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.33 3kob n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3kob s SER 31 N -0.56 -0.05 -0.12 7.28 0.01 -1.25 -5.03 113.70 113.98 3kob s SER 31 Ca 0.00 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.19 3kob s SER 31 Cb 0.00 0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.52 3kob s SER 31 CO 0.00 -0.23 0.29 -1.61 0.41 0.00 0.00 173.24 172.11 3kob s GLU 32 N -0.74 0.30 0.12 12.44 2.02 -1.26 -1.50 118.70 130.09 3kob s GLU 32 Ca -0.08 0.51 0.05 0.00 0.02 0.00 0.00 54.97 55.47 3kob s GLU 32 Cb -0.05 0.03 -0.04 0.00 0.10 0.00 0.00 34.13 34.18 3kob s GLU 32 CO 0.01 -0.10 -0.12 0.96 0.02 0.00 0.00 175.26 176.02 3kob s ILE 33 N 0.75 1.20 0.00 -1.63 -4.36 -0.33 -4.98 121.20 111.84 3kob s ILE 33 Ca -0.05 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3kob s ILE 33 Cb -0.06 -1.51 0.00 0.00 1.25 0.00 0.00 42.46 42.14 3kob s ILE 33 CO -0.05 -0.49 0.00 0.29 0.24 0.00 0.00 174.94 174.93 3kob n LYS 34 N 0.47 2.36 -1.71 0.37 4.76 -1.26 -1.76 118.16 121.38 3kob n LYS 34 Ca -0.15 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.86 3kob n LYS 34 Cb 0.58 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.75 3kob n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kob n ASN 35 N 0.00 3.14 0.00 4.39 3.02 -1.12 -2.85 115.26 121.85 3kob n ASN 35 Ca 0.00 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 3kob n ASN 35 Cb 0.00 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.66 3kob n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kob n GLY 36 N 1.32 -0.54 3.04 7.41 0.00 -1.05 -2.87 105.19 112.50 3kob n GLY 36 Ca 0.06 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 3kob n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kob s LEU 37 N 0.00 2.13 -0.36 0.99 1.43 -0.47 -2.01 118.68 120.39 3kob s LEU 37 Ca 0.00 -0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 3kob s LEU 37 Cb 0.00 -0.33 0.05 0.00 0.03 0.00 0.00 46.19 45.94 3kob s LEU 37 CO 0.00 -0.03 0.14 -0.51 0.23 0.00 0.00 176.35 176.18 3kob s ILE 38 N -0.72 3.82 -0.30 -0.59 2.07 -1.00 -1.67 121.20 122.81 3kob s ILE 38 Ca -0.02 -1.26 -0.19 0.00 -1.41 0.00 0.00 60.65 57.77 3kob s ILE 38 Cb -0.06 -3.24 -0.01 0.00 0.13 0.00 0.00 42.46 39.28 3kob s ILE 38 CO 0.00 -0.28 0.57 0.00 -1.91 0.00 0.00 174.94 173.32 3kob s PHE 40 N 2.47 3.78 -0.04 0.00 0.08 0.06 -1.58 117.98 122.73 3kob s PHE 40 Ca 0.22 1.43 -0.01 0.00 0.12 0.00 0.00 56.93 58.69 3kob s PHE 40 Cb -0.15 -2.63 0.03 0.00 -0.57 0.00 0.00 43.02 39.70 3kob s PHE 40 CO 0.11 0.47 0.02 -1.17 -0.10 0.00 0.00 175.22 174.55 3kob s LEU 41 N -1.47 0.66 -0.21 -0.37 2.96 -0.24 -0.28 118.68 119.73 3kob s LEU 41 Ca 0.37 -0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 3kob s LEU 41 Cb -0.20 -0.24 0.04 0.00 0.50 0.00 0.00 46.19 46.29 3kob s LEU 41 CO 0.22 -0.18 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.10 3kob s GLY 42 N 1.66 1.44 -0.01 7.98 0.00 0.59 0.20 107.32 119.18 3kob s GLY 42 Ca -0.01 -1.39 -0.17 0.00 0.00 0.00 0.00 44.72 43.15 3kob s GLY 42 CO -0.03 0.50 0.48 -0.42 0.00 0.00 0.00 173.10 173.63 3kob s ILE 43 N 1.26 4.97 -0.01 0.90 1.01 -1.26 -1.64 121.20 126.44 3kob s ILE 43 Ca -0.01 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.64 3kob s ILE 43 Cb -0.16 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3kob s ILE 43 CO -0.09 0.50 0.04 -2.28 0.00 0.00 0.00 174.94 173.11 3kob s HIS 44 N -0.64 3.17 0.20 3.97 5.65 -1.26 -1.49 115.29 124.89 3kob s HIS 44 Ca 0.26 0.14 -0.01 0.00 0.25 0.00 0.00 55.06 55.70 3kob s HIS 44 Cb -0.17 -1.70 0.43 0.00 -1.18 0.00 0.00 32.58 29.95 3kob s HIS 44 CO 0.15 0.50 1.03 0.36 -0.65 0.00 0.00 174.74 176.12 3kob n LYS 45 N 1.34 -0.05 -0.62 2.88 0.00 0.08 0.04 118.16 121.81 3kob n LYS 45 Ca -0.14 1.00 0.01 0.00 -0.00 0.00 0.00 58.31 59.18 3kob n LYS 45 Cb 0.53 -1.55 0.22 0.00 -0.00 0.00 0.00 35.03 34.22 3kob n LYS 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3kob n ASN 46 N -4.94 2.93 -4.77 -5.58 3.02 -1.26 -4.84 115.26 99.82 3kob n ASN 46 Ca 0.14 -3.47 -0.41 0.00 -0.03 0.00 0.00 54.58 50.81 3kob n ASN 46 Cb 0.44 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 3kob n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3kob s ASP 47 N -2.37 6.66 -0.08 6.41 1.01 0.11 -5.01 116.67 123.39 3kob s ASP 47 Ca 0.43 2.76 -0.00 0.00 0.71 0.00 0.00 52.55 56.44 3kob s ASP 47 Cb 0.37 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.68 3kob s ASP 47 CO 0.03 -0.64 -0.03 0.42 0.21 0.00 0.00 175.17 175.15 3kob s THR 48 N -0.86 0.60 0.00 -1.27 -4.23 -1.26 -4.99 115.64 103.63 3kob s THR 48 Ca 0.52 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3kob s THR 48 Cb -0.42 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 72.74 3kob s THR 48 CO 0.53 0.28 0.00 1.87 -0.54 0.00 0.00 174.62 176.76 3kob n TRP 49 N 4.80 0.00 0.30 3.99 -0.00 -1.26 -0.09 117.44 125.18 3kob n TRP 49 Ca -0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.20 3kob n TRP 49 Cb 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.73 3kob n TRP 49 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 3kob h GLU 50 N 0.00 -0.81 -0.37 5.87 4.39 -1.99 0.15 114.58 121.82 3kob h GLU 50 Ca 0.00 0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.79 3kob h GLU 50 Cb 0.00 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 3kob h GLU 50 CO 0.00 -0.54 -0.34 -0.44 -1.16 0.00 0.00 179.01 176.53 3kob h ASP 51 N -0.85 -1.16 -0.43 1.42 3.45 -0.90 -0.62 116.42 117.33 3kob h ASP 51 Ca -0.06 0.16 0.05 0.00 0.43 0.00 0.00 57.03 57.61 3kob h ASP 51 Cb 0.70 0.49 -0.07 0.00 -0.56 0.00 0.00 39.33 39.89 3kob h ASP 51 CO 0.04 -0.20 -0.43 0.00 -1.57 0.00 0.00 179.24 177.08 3kob h ALA 52 N -0.40 -0.60 -0.66 3.45 0.00 -1.74 0.28 119.26 119.59 3kob h ALA 52 Ca 0.06 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.19 3kob h ALA 52 Cb 0.31 1.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 3kob h ALA 52 CO -0.43 -0.84 0.07 1.28 0.00 0.00 0.00 179.25 179.33 3kob n LEU 53 N -4.73 -0.03 0.14 0.00 4.77 0.53 -1.72 117.00 115.97 3kob n LEU 53 Ca -0.02 1.12 -0.06 0.00 -0.03 0.00 0.00 56.01 57.02 3kob n LEU 53 Cb 0.24 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3kob n LEU 53 CO -0.03 -1.15 0.21 0.22 -1.33 0.00 0.00 177.39 175.31 3kob h TYR 54 N 0.00 -0.39 -0.85 -1.77 3.20 0.09 -2.16 116.97 115.09 3kob h TYR 54 Ca 0.43 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.37 3kob h TYR 54 Cb 0.93 0.13 -0.11 0.00 1.54 0.00 0.00 36.73 39.22 3kob h TYR 54 CO -0.29 -0.24 -0.47 -0.89 -1.64 0.00 0.00 178.16 174.63 3kob n ILE 55 N -4.43 -0.56 -0.20 1.81 2.08 -0.70 0.22 119.36 117.59 3kob n ILE 55 Ca -0.05 2.05 -0.02 0.00 0.56 0.00 0.00 62.75 65.28 3kob n ILE 55 Cb 0.17 -2.57 0.04 0.00 -0.75 0.00 0.00 39.64 36.53 3kob n ILE 55 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3kob h ILE 56 N 0.00 0.31 0.00 1.39 2.04 -1.49 0.32 117.51 120.07 3kob h ILE 56 Ca 0.17 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.98 3kob h ILE 56 Cb 0.38 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3kob h ILE 56 CO -0.81 0.00 -0.23 -0.09 0.00 0.00 0.00 178.15 177.03 3kob h ARG 57 N -0.07 0.00 0.02 2.37 2.43 0.34 -1.47 114.38 118.00 3kob h ARG 57 Ca 0.27 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3kob h ARG 57 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3kob h ARG 57 CO -0.64 0.23 -0.01 0.87 -1.51 0.00 0.00 179.97 178.90 3kob h LYS 58 N 0.00 -0.03 -0.74 0.20 1.79 0.67 -3.04 116.57 115.42 3kob h LYS 58 Ca -0.00 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 3kob h LYS 58 Cb 0.46 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.02 3kob h LYS 58 CO 0.03 0.26 -0.38 0.00 -1.08 0.00 0.00 179.45 178.28 3kob h LEU 60 N 0.00 0.00 0.00 0.00 3.38 -1.44 -3.38 115.31 113.87 3kob h LEU 60 Ca 0.17 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.91 3kob h LEU 60 Cb 0.36 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3kob h LEU 60 CO -0.71 0.63 -2.02 0.59 0.09 0.00 0.00 178.44 177.02 3kob n ASN 61 N -3.75 1.11 -4.54 -0.43 3.02 0.37 -3.80 115.26 107.25 3kob n ASN 61 Ca -0.01 0.00 -0.48 0.00 -0.03 0.00 0.00 54.58 54.06 3kob n ASN 61 Cb 0.63 1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 40.84 3kob n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kob n LEU 62 N -2.48 0.87 -4.21 3.41 4.77 0.22 -4.75 117.00 114.83 3kob n LEU 62 Ca -0.21 1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 56.51 3kob n LEU 62 Cb 0.89 -1.16 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 3kob n LEU 62 CO 0.34 -1.77 0.02 -0.13 -1.33 0.00 0.00 177.39 174.52 3kob s ARG 63 N -0.93 2.59 0.00 3.23 0.52 -1.26 -4.01 118.95 119.09 3kob s ARG 63 Ca 0.67 -1.89 0.07 0.00 -0.52 0.00 0.00 55.73 54.06 3kob s ARG 63 Cb -0.84 -3.96 0.14 0.00 0.52 0.00 0.00 34.95 30.81 3kob s ARG 63 CO 0.56 -1.21 1.00 1.28 0.02 0.00 0.00 175.30 176.95 3kob n LEU 64 N 4.73 2.21 -4.67 2.53 4.77 -0.85 -3.77 117.00 121.95 3kob n LEU 64 Ca -0.05 -1.63 -0.23 0.00 -0.03 0.00 0.00 56.01 54.07 3kob n LEU 64 Cb 0.41 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 3kob n LEU 64 CO 0.42 0.53 -0.30 0.26 -1.33 0.00 0.00 177.39 176.96 3kob s TRP 65 N -0.84 2.76 1.06 -1.77 0.51 -1.09 -4.74 118.94 114.83 3kob s TRP 65 Ca 0.12 -0.20 -0.18 0.00 -2.12 0.00 0.00 56.10 53.72 3kob s TRP 65 Cb 0.07 -1.23 0.25 0.00 -0.81 0.00 0.00 33.47 31.75 3kob s TRP 65 CO 0.09 0.60 1.29 -0.80 -0.51 0.00 0.00 176.95 177.63 3kob s ASN 66 N -3.66 2.19 -0.22 2.95 0.01 -1.26 -0.44 114.94 114.50 3kob s ASN 66 Ca 0.31 0.24 -0.05 0.00 -0.71 0.00 0.00 52.86 52.65 3kob s ASN 66 Cb -0.07 -0.22 0.11 0.00 0.41 0.00 0.00 41.25 41.48 3kob s ASN 66 CO 0.21 -3.30 0.43 0.21 -1.51 0.00 0.00 177.10 173.14 3kob s ASN 67 N -4.72 -0.24 0.05 -1.22 3.84 0.11 -4.35 114.94 108.40 3kob s ASN 67 Ca 0.76 0.80 0.00 0.00 0.21 0.00 0.00 52.86 54.62 3kob s ASN 67 Cb -0.03 1.40 0.00 0.00 -0.55 0.00 0.00 41.25 42.06 3kob s ASN 67 CO 0.54 -0.25 0.00 0.47 -2.79 0.00 0.00 177.10 175.07 3kob n ASP 68 N 5.39 0.00 -0.28 -4.21 10.43 -1.26 0.80 116.55 127.42 3kob n ASP 68 Ca -0.07 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.24 3kob n ASP 68 Cb 0.50 0.00 0.08 0.00 1.84 0.00 0.00 41.12 43.54 3kob n ASP 68 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 3kob h ASN 69 N 0.00 1.08 -3.57 -2.24 -1.24 -2.04 -3.45 115.58 104.11 3kob h ASN 69 Ca 0.00 -0.16 -0.61 0.00 0.71 0.00 0.00 56.30 56.24 3kob h ASN 69 Cb 0.00 -0.28 -0.13 0.00 0.73 0.00 0.00 38.32 38.65 3kob h ASN 69 CO 0.00 0.95 -0.12 -1.59 -1.29 0.00 0.00 177.43 175.38 3kob s LYS 70 N -5.55 4.10 1.03 6.67 -2.85 0.24 -5.08 119.74 118.30 3kob s LYS 70 Ca -0.12 0.23 -0.16 0.00 -1.00 0.00 0.00 55.97 54.92 3kob s LYS 70 Cb 0.16 -3.61 0.21 0.00 -2.06 0.00 0.00 37.83 32.53 3kob s LYS 70 CO 0.84 -0.22 1.21 0.95 0.10 0.00 0.00 175.35 178.22 3kob s THR 71 N 1.89 1.87 -0.57 3.79 -4.23 -1.26 0.04 115.64 117.17 3kob s THR 71 Ca 0.19 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.54 3kob s THR 71 Cb -0.15 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 70.93 3kob s THR 71 CO 0.09 0.00 0.32 0.79 -0.54 0.00 0.00 174.62 175.28 3kob n TRP 72 N -4.08 -0.65 0.00 3.99 7.02 -1.23 -4.80 117.44 117.70 3kob n TRP 72 Ca 0.12 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 3kob n TRP 72 Cb 0.59 -1.29 0.00 0.00 -2.42 0.00 0.00 31.31 28.19 3kob n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3kob n ASP 73 N -0.51 0.00 -4.83 -0.99 2.03 0.41 -4.80 116.55 107.86 3kob n ASP 73 Ca -0.05 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.93 3kob n ASP 73 Cb 0.26 -0.04 -0.01 0.00 -0.72 0.00 0.00 41.12 40.61 3kob n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kob s LYS 74 N -0.18 3.63 0.36 -0.67 -0.14 -1.17 -4.69 119.74 116.88 3kob s LYS 74 Ca 0.00 1.04 0.08 0.00 -1.36 0.00 0.00 55.97 55.73 3kob s LYS 74 Cb 0.00 -2.08 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 3kob s LYS 74 CO 0.00 -0.54 0.19 0.54 -0.76 0.00 0.00 175.35 174.78 3kob s ASN 75 N -3.07 4.73 0.22 2.83 2.20 -1.26 -2.00 114.94 118.59 3kob s ASN 75 Ca 0.60 -0.80 -0.09 0.00 -0.94 0.00 0.00 52.86 51.63 3kob s ASN 75 Cb -0.13 -0.69 0.33 0.00 -2.00 0.00 0.00 41.25 38.77 3kob s ASN 75 CO 0.36 -0.39 1.67 1.62 -2.94 0.00 0.00 177.10 177.43 3kob h VAL 76 N 1.44 0.52 -0.33 3.54 3.04 -1.70 0.87 116.25 123.63 3kob h VAL 76 Ca -0.43 -0.06 0.05 0.00 -1.01 0.00 0.00 66.70 65.24 3kob h VAL 76 Cb 1.25 0.33 -0.04 0.00 -2.01 0.00 0.00 31.29 30.82 3kob h VAL 76 CO 0.63 0.03 0.08 0.11 -1.01 0.00 0.00 177.57 177.41 3kob h LYS 77 N 0.17 0.19 -1.05 4.17 1.57 -1.88 -2.36 116.57 117.38 3kob h LYS 77 Ca 0.34 -0.01 0.29 0.00 -1.87 0.00 0.00 60.65 59.40 3kob h LYS 77 Cb 0.56 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 3kob h LYS 77 CO -0.51 0.13 0.72 -0.44 -0.57 0.00 0.00 179.45 178.78 3kob h ASP 78 N 0.20 0.19 0.04 0.86 3.32 -1.16 0.27 116.42 120.14 3kob h ASP 78 Ca 0.15 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3kob h ASP 78 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kob h ASP 78 CO -0.20 0.04 -0.46 0.18 -1.72 0.00 0.00 179.24 177.09 3kob n LEU 79 N -4.39 1.77 -2.73 1.55 4.77 -1.00 -4.97 117.00 112.01 3kob n LEU 79 Ca 0.24 -0.64 -0.11 0.00 -0.03 0.00 0.00 56.01 55.47 3kob n LEU 79 Cb 1.01 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 42.13 3kob n LEU 79 CO 0.34 0.33 0.04 -3.20 -1.33 0.00 0.00 177.39 173.57 3kob n ASN 80 N -0.23 -3.98 -4.88 -1.43 2.85 0.95 -5.06 115.26 103.48 3kob n ASN 80 Ca 0.10 -0.48 -0.25 0.00 -0.11 0.00 0.00 54.58 53.84 3kob n ASN 80 Cb 0.44 -3.81 -0.02 0.00 1.24 0.00 0.00 39.78 37.63 3kob n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3kob s TYR 81 N -3.27 1.97 0.34 1.20 2.02 -0.92 -5.05 117.35 113.64 3kob s TYR 81 Ca 0.19 -0.73 0.08 0.00 -0.37 0.00 0.00 57.07 56.24 3kob s TYR 81 Cb -0.03 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 3kob s TYR 81 CO 0.52 -0.33 0.19 -1.21 -1.57 0.00 0.00 175.55 173.14 3kob s GLU 82 N -4.21 2.47 -0.07 -0.62 2.02 -1.14 -4.82 118.70 112.34 3kob s GLU 82 Ca 0.39 -1.48 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 3kob s GLU 82 Cb -0.02 -2.26 0.03 0.00 0.10 0.00 0.00 34.13 31.98 3kob s GLU 82 CO 0.23 0.10 0.01 -0.51 0.02 0.00 0.00 175.26 175.11 3kob s LEU 83 N -3.89 0.54 -0.42 1.80 1.02 -0.49 -1.37 118.68 115.87 3kob s LEU 83 Ca 0.39 -0.06 -0.18 0.00 0.02 0.00 0.00 54.13 54.29 3kob s LEU 83 Cb -0.03 -0.40 0.02 0.00 0.02 0.00 0.00 46.19 45.80 3kob s LEU 83 CO 0.24 -0.20 0.50 -0.22 0.02 0.00 0.00 176.35 176.69 3kob s LEU 84 N 1.97 4.73 -0.34 1.79 2.96 -0.67 -0.97 118.68 128.15 3kob s LEU 84 Ca 0.05 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 3kob s LEU 84 Cb -0.12 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.08 3kob s LEU 84 CO -0.05 -0.64 0.17 -0.63 -1.32 0.00 0.00 176.35 173.89 3kob s ILE 85 N 2.36 4.57 -0.11 6.68 -1.09 -0.20 -2.17 121.20 131.24 3kob s ILE 85 Ca 0.16 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 3kob s ILE 85 Cb -0.16 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 3kob s ILE 85 CO 0.15 -0.07 -0.14 -0.69 -1.23 0.00 0.00 174.94 172.96 3kob s VAL 86 N 1.58 2.97 -0.21 2.92 1.01 -0.62 -4.16 120.40 123.90 3kob s VAL 86 Ca 0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3kob s VAL 86 Cb -0.18 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3kob s VAL 86 CO 0.06 0.54 1.93 -0.55 0.00 0.00 0.00 175.10 177.08 3kob s SER 87 N 0.11 5.93 -0.34 3.32 0.15 -1.26 -1.08 113.70 120.53 3kob s SER 87 Ca -0.07 1.78 -0.00 0.00 0.70 0.00 0.00 55.95 58.36 3kob s SER 87 Cb -0.15 -2.52 0.11 0.00 -1.71 0.00 0.00 66.02 61.75 3kob s SER 87 CO 0.05 -1.60 0.14 -1.58 1.20 0.00 0.00 173.24 171.45 3kob s GLN 88 N 5.50 0.81 0.25 5.44 2.00 0.52 -4.83 119.66 129.34 3kob s GLN 88 Ca 0.86 -1.28 0.13 0.00 -2.00 0.00 0.00 55.36 53.08 3kob s GLN 88 Cb -0.30 -2.00 0.05 0.00 0.80 0.00 0.00 33.01 31.57 3kob s GLN 88 CO 0.34 -1.04 1.43 0.27 -0.50 0.00 0.00 175.29 175.79 3kob h PHE 89 N 7.73 0.00 0.00 1.67 -5.15 -1.93 -3.15 116.94 116.12 3kob h PHE 89 Ca -0.10 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.67 3kob h PHE 89 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.16 3kob h PHE 89 CO 0.39 0.62 0.00 0.25 -2.00 0.00 0.00 178.31 177.57 3kob n THR 90 N -3.29 1.32 0.01 0.88 -2.24 -1.26 -1.68 114.28 108.01 3kob n THR 90 Ca 0.01 0.58 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 3kob n THR 90 Cb 0.77 -1.55 0.02 0.00 -2.10 0.00 0.00 70.33 67.46 3kob n THR 90 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kob n LEU 91 N -1.97 0.02 -1.10 3.22 4.77 -1.22 -0.08 117.00 120.63 3kob n LEU 91 Ca -0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3kob n LEU 91 Cb 0.05 -0.33 0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3kob n LEU 91 CO 0.08 -0.34 0.26 0.49 -1.33 0.00 0.00 177.39 176.55 3kob n PHE 92 N -1.36 0.51 -2.68 -1.77 3.72 -0.68 -5.00 117.46 110.20 3kob n PHE 92 Ca -0.00 -1.47 -0.43 0.00 -0.05 0.00 0.00 57.45 55.50 3kob n PHE 92 Cb 0.19 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 3kob n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kob s GLY 93 N -3.10 1.44 -0.79 1.37 0.00 0.89 -4.18 107.32 102.94 3kob s GLY 93 Ca 0.39 -0.40 -0.23 0.00 0.00 0.00 0.00 44.72 44.48 3kob s GLY 93 CO -0.07 2.25 1.16 0.21 0.00 0.00 0.00 173.10 176.66 3kob s ASN 94 N 2.10 6.31 0.11 1.64 3.84 -0.28 -4.60 114.94 124.07 3kob s ASN 94 Ca 0.44 -1.12 0.23 0.00 0.21 0.00 0.00 52.86 52.62 3kob s ASN 94 Cb -0.10 -2.48 0.19 0.00 -0.55 0.00 0.00 41.25 38.31 3kob s ASN 94 CO 0.24 -1.49 1.18 0.35 -2.79 0.00 0.00 177.10 174.59 3kob n THR 95 N 6.14 0.34 0.00 -5.21 -2.24 -1.26 -3.68 114.28 108.37 3kob n THR 95 Ca 0.10 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3kob n THR 95 Cb 0.48 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3kob n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kob n LYS 96 N -2.16 0.00 -3.57 -0.78 5.02 -1.26 -3.63 118.16 111.78 3kob n LYS 96 Ca 0.02 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.93 3kob n LYS 96 Cb 0.46 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.36 3kob n LYS 96 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3kob s LYS 97 N -1.80 3.98 0.30 1.97 -2.85 -1.26 -4.97 119.74 115.10 3kob s LYS 97 Ca 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 55.97 54.71 3kob s LYS 97 Cb 0.00 -3.64 0.00 0.00 -2.06 0.00 0.00 37.83 32.13 3kob s LYS 97 CO 0.00 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.70 3kob n GLY 98 N 4.89 -3.07 1.72 0.59 0.00 -1.24 -4.54 105.19 103.54 3kob n GLY 98 Ca -0.13 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3kob n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kob n ASN 99 N -2.93 5.46 -4.00 1.61 5.03 -1.26 -4.71 115.26 114.45 3kob n ASN 99 Ca -0.04 -2.84 -0.24 0.00 0.87 0.00 0.00 54.58 52.34 3kob n ASN 99 Cb 0.31 -0.96 -0.16 0.00 -1.02 0.00 0.00 39.78 37.95 3kob n ASN 99 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3kob s LYS 100 N -1.38 1.53 0.84 3.52 1.02 -1.26 -5.15 119.74 118.86 3kob s LYS 100 Ca 0.24 -0.36 -0.10 0.00 0.02 0.00 0.00 55.97 55.76 3kob s LYS 100 Cb 0.19 -1.29 0.10 0.00 -0.52 0.00 0.00 37.83 36.31 3kob s LYS 100 CO 0.01 0.02 1.12 -1.25 -0.92 0.00 0.00 175.35 174.33 3kob s PRO 101 N 0.66 1.65 -0.29 -1.68 0.04 -1.26 -4.58 135.00 129.55 3kob s PRO 101 Ca -0.13 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.28 3kob s PRO 101 Cb -0.15 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.73 3kob s PRO 101 CO 0.03 -2.13 0.38 0.34 0.04 0.00 0.00 177.00 175.66 3kob s ASP 102 N -3.03 0.69 -0.87 6.66 2.15 -1.24 -4.82 116.67 116.20 3kob s ASP 102 Ca 0.64 -0.45 -0.01 0.00 0.43 0.00 0.00 52.55 53.15 3kob s ASP 102 Cb -0.20 0.96 0.35 0.00 -0.30 0.00 0.00 42.92 43.73 3kob s ASP 102 CO 0.57 -0.36 1.94 0.49 -0.17 0.00 0.00 175.17 177.64 3kob n PHE 103 N 5.34 2.96 -0.09 -5.34 3.72 -1.26 -1.12 117.46 121.68 3kob n PHE 103 Ca -0.00 -2.41 -0.23 0.00 -0.05 0.00 0.00 57.45 54.75 3kob n PHE 103 Cb 0.49 -1.14 -0.12 0.00 -0.94 0.00 0.00 39.48 37.76 3kob n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kob n HIS 104 N -0.44 0.69 0.20 1.38 8.25 -1.26 -4.07 115.22 119.97 3kob n HIS 104 Ca 0.52 0.22 0.17 0.00 -0.26 0.00 0.00 57.72 58.37 3kob n HIS 104 Cb 0.25 -1.08 0.81 0.00 1.12 0.00 0.00 29.99 31.09 3kob n HIS 104 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3kob h LEU 105 N -0.56 0.00 -9.92 2.41 3.38 -1.83 -3.42 115.31 105.37 3kob h LEU 105 Ca -0.49 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 56.96 3kob h LEU 105 Cb 1.66 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.49 3kob h LEU 105 CO -0.16 0.00 0.62 0.00 0.09 0.00 0.00 178.44 178.99 3kob s ALA 106 N -4.71 3.36 1.22 1.53 0.00 -1.26 -0.74 121.76 121.17 3kob s ALA 106 Ca -0.05 1.24 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 3kob s ALA 106 Cb 0.16 -3.48 0.28 0.00 0.00 0.00 0.00 23.12 20.07 3kob s ALA 106 CO 0.57 -0.73 0.78 1.17 0.00 0.00 0.00 175.76 177.56 3kob n LYS 107 N 0.42 -2.74 -4.05 0.00 4.81 -0.55 -4.36 118.16 111.69 3kob n LYS 107 Ca 0.02 -0.78 -0.36 0.00 -0.87 0.00 0.00 58.31 56.32 3kob n LYS 107 Cb 0.43 -2.02 -0.07 0.00 0.02 0.00 0.00 35.03 33.38 3kob n LYS 107 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3kob s GLU 108 N -4.25 3.27 0.58 1.64 -6.30 -1.26 -4.86 118.70 107.52 3kob s GLU 108 Ca 0.66 -0.26 0.33 0.00 -2.50 0.00 0.00 54.97 53.20 3kob s GLU 108 Cb -0.21 -3.04 1.38 0.00 0.00 0.00 0.00 34.13 32.26 3kob s GLU 108 CO 0.64 0.74 1.67 -1.00 0.02 0.00 0.00 175.26 177.33 3kob h PRO 109 N 4.87 0.00 0.05 4.30 0.13 -1.96 -1.69 132.00 137.71 3kob h PRO 109 Ca -0.53 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3kob h PRO 109 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kob h PRO 109 CO 0.58 0.00 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.41 3kob h ASN 110 N 0.00 -0.06 0.73 1.44 4.21 -1.98 0.94 115.58 120.86 3kob h ASN 110 Ca 0.48 -0.57 -0.16 0.00 1.21 0.00 0.00 56.30 57.27 3kob h ASN 110 Cb 2.30 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 39.50 3kob h ASN 110 CO -0.01 0.66 -0.74 -0.33 -1.29 0.00 0.00 177.43 175.73 3kob h GLU 111 N -0.90 0.01 -0.22 0.81 3.07 -1.96 -2.53 114.58 112.86 3kob h GLU 111 Ca -0.01 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 3kob h GLU 111 Cb 0.63 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.47 3kob h GLU 111 CO 0.01 0.74 -0.34 0.00 -1.40 0.00 0.00 179.01 178.02 3kob h ALA 112 N 1.26 -0.35 -0.56 3.43 0.00 -1.30 1.25 119.26 122.99 3kob h ALA 112 Ca -0.01 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3kob h ALA 112 Cb 1.30 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 3kob h ALA 112 CO 0.10 -0.79 0.31 1.25 0.00 0.00 0.00 179.25 180.11 3kob h LEU 113 N -0.36 0.46 -0.95 0.00 5.85 0.92 -0.46 115.31 120.76 3kob h LEU 113 Ca 0.12 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3kob h LEU 113 Cb 0.55 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3kob h LEU 113 CO -0.42 0.31 -0.32 0.16 -0.34 0.00 0.00 178.44 177.83 3kob h ILE 114 N 0.59 0.76 0.06 4.05 -0.00 -0.88 -3.07 117.51 119.02 3kob h ILE 114 Ca 0.24 -1.40 -0.09 0.00 -0.00 0.00 0.00 64.86 63.62 3kob h ILE 114 Cb 0.12 1.89 0.01 0.00 -0.00 0.00 0.00 36.82 38.84 3kob h ILE 114 CO -0.15 0.32 -0.39 0.15 -0.00 0.00 0.00 178.15 178.08 3kob h PHE 115 N 0.00 0.22 -0.87 0.16 3.57 0.19 -2.46 116.94 117.75 3kob h PHE 115 Ca -0.00 -0.16 0.12 0.00 3.53 0.00 0.00 57.97 61.46 3kob h PHE 115 Cb 0.86 -0.01 -0.13 0.00 2.79 0.00 0.00 35.95 39.46 3kob h PHE 115 CO 0.00 1.15 -0.37 0.98 -2.23 0.00 0.00 178.31 177.84 3kob n TYR 116 N -4.40 -0.06 -0.08 0.41 9.36 -0.21 -0.94 117.16 121.25 3kob n TYR 116 Ca -0.13 1.07 -0.10 0.00 3.32 0.00 0.00 57.90 62.06 3kob n TYR 116 Cb 0.63 -0.77 0.04 0.00 -0.63 0.00 0.00 39.34 38.60 3kob n TYR 116 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3kob h ASN 117 N 0.00 0.84 0.04 2.98 4.21 -1.57 0.54 115.58 122.62 3kob h ASN 117 Ca 0.27 -0.37 0.02 0.00 1.21 0.00 0.00 56.30 57.44 3kob h ASN 117 Cb 0.49 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.42 3kob h ASN 117 CO -0.85 1.11 -0.18 0.11 -1.29 0.00 0.00 177.43 176.33 3kob h LYS 118 N 0.66 -0.30 0.01 0.81 1.57 -0.78 0.81 116.57 119.34 3kob h LYS 118 Ca 0.06 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3kob h LYS 118 Cb 0.91 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 3kob h LYS 118 CO 0.08 -0.20 -0.40 0.82 -0.57 0.00 0.00 179.45 179.18 3kob h ILE 119 N -0.31 0.00 -0.68 1.86 2.04 -0.60 0.92 117.51 120.74 3kob h ILE 119 Ca 0.04 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.09 3kob h ILE 119 Cb 0.37 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 3kob h ILE 119 CO -0.15 0.00 0.48 0.40 0.00 0.00 0.00 178.15 178.88 3kob h ILE 120 N -0.51 0.69 0.71 -0.67 1.08 0.63 0.66 117.51 120.10 3kob h ILE 120 Ca 0.01 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 3kob h ILE 120 Cb 0.54 0.61 0.01 0.00 -3.07 0.00 0.00 36.82 34.90 3kob h ILE 120 CO -0.26 0.01 -0.34 0.44 -0.69 0.00 0.00 178.15 177.32 3kob h ASP 121 N 0.08 -0.80 -0.89 1.72 3.32 0.12 -2.89 116.42 117.07 3kob h ASP 121 Ca 0.33 0.03 0.18 0.00 0.02 0.00 0.00 57.03 57.58 3kob h ASP 121 Cb 1.18 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.87 3kob h ASP 121 CO -0.03 -0.42 0.58 -0.08 -1.72 0.00 0.00 179.24 177.57 3kob h GLU 122 N -1.25 0.52 0.00 3.56 4.57 0.18 -1.10 114.58 121.06 3kob h GLU 122 Ca -0.10 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3kob h GLU 122 Cb 0.73 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3kob h GLU 122 CO 0.16 0.35 0.00 1.19 -1.18 0.00 0.00 179.01 179.52 3kob n PHE 123 N -4.55 0.00 0.27 0.92 3.72 0.20 -0.39 117.46 117.63 3kob n PHE 123 Ca 0.18 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.77 3kob n PHE 123 Cb 0.59 -0.49 0.91 0.00 -0.94 0.00 0.00 39.48 39.55 3kob n PHE 123 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3kob h LYS 124 N 0.00 0.00 0.76 -1.08 1.57 -1.19 0.18 116.57 116.81 3kob h LYS 124 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3kob h LYS 124 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3kob h LYS 124 CO 0.00 0.00 -0.37 0.87 -0.57 0.00 0.00 179.45 179.38 3kob h LYS 125 N 0.00 -0.99 0.00 3.15 1.57 -0.70 -2.84 116.57 116.76 3kob h LYS 125 Ca 0.05 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3kob h LYS 125 Cb 0.48 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3kob h LYS 125 CO -0.00 -0.66 0.00 1.04 -0.57 0.00 0.00 179.45 179.26 3kob n GLN 126 N -5.06 0.62 0.00 3.15 6.02 0.54 -4.65 117.38 118.01 3kob n GLN 126 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 3kob n GLN 126 Cb 0.40 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.58 3kob n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3kob n TYR 127 N -0.59 0.00 -3.64 1.08 9.36 -0.67 -5.06 117.16 117.64 3kob n TYR 127 Ca 0.03 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.15 3kob n TYR 127 Cb 0.01 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.65 3kob n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kob s ASN 128 N 1.33 -0.77 0.37 2.98 3.84 -1.08 -5.00 114.94 116.61 3kob s ASN 128 Ca 0.00 1.35 0.16 0.00 0.21 0.00 0.00 52.86 54.58 3kob s ASN 128 Cb 0.00 1.34 1.06 0.00 -0.55 0.00 0.00 41.25 43.10 3kob s ASN 128 CO 0.00 -0.22 1.74 -0.78 -2.79 0.00 0.00 177.10 175.05 3kob h ASP 129 N 5.85 0.51 0.04 -4.21 3.58 -1.95 -2.84 116.42 117.41 3kob h ASP 129 Ca -0.29 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.27 3kob h ASP 129 Cb 1.19 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.28 3kob h ASP 129 CO 0.12 0.06 -1.51 -0.67 -2.88 0.00 0.00 179.24 174.36 3kob n ASP 130 N -4.75 0.46 0.00 2.28 -0.08 -1.26 -3.97 116.55 109.24 3kob n ASP 130 Ca 0.27 -0.42 0.10 0.00 -1.51 0.00 0.00 54.79 53.23 3kob n ASP 130 Cb 0.89 1.48 0.60 0.00 2.34 0.00 0.00 41.12 46.44 3kob n ASP 130 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3kob n LYS 131 N -1.93 0.96 -4.39 -0.67 4.76 -1.07 -4.76 118.16 111.06 3kob n LYS 131 Ca -0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 3kob n LYS 131 Cb 0.46 -1.33 -0.15 0.00 -1.84 0.00 0.00 35.03 32.17 3kob n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kob s ILE 132 N -2.00 2.83 0.20 -0.18 -1.09 -1.24 -1.39 121.20 118.33 3kob s ILE 132 Ca 0.31 -0.71 0.09 0.00 -2.23 0.00 0.00 60.65 58.11 3kob s ILE 132 Cb 0.14 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.76 3kob s ILE 132 CO 0.24 0.50 -0.17 -0.54 -1.23 0.00 0.00 174.94 173.73 3kob s LYS 133 N 0.93 1.37 0.31 2.79 3.01 -0.14 -4.97 119.74 123.03 3kob s LYS 133 Ca -0.03 -1.54 0.05 0.00 -1.01 0.00 0.00 55.97 53.44 3kob s LYS 133 Cb -0.15 -1.32 -0.02 0.00 -1.01 0.00 0.00 37.83 35.33 3kob s LYS 133 CO -0.01 0.25 0.19 0.44 0.51 0.00 0.00 175.35 176.72 3kob n ILE 134 N -0.14 0.00 -4.52 2.17 -5.35 -1.26 -1.03 119.36 109.23 3kob n ILE 134 Ca -0.10 -2.07 -0.25 0.00 -0.27 0.00 0.00 62.75 60.07 3kob n ILE 134 Cb 0.59 0.90 -0.09 0.00 -1.74 0.00 0.00 39.64 39.30 3kob n ILE 134 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kob s GLY 135 N -3.07 2.39 -0.60 3.28 0.00 -1.26 -4.74 107.32 103.32 3kob s GLY 135 Ca 0.27 -1.62 -0.27 0.00 0.00 0.00 0.00 44.72 43.10 3kob s GLY 135 CO 0.19 -1.89 1.69 0.54 0.00 0.00 0.00 173.10 173.62 3kob s LYS 136 N -3.82 2.89 0.09 2.90 -0.14 -1.26 -4.92 119.74 115.48 3kob s LYS 136 Ca 0.29 0.51 -0.32 0.00 -1.36 0.00 0.00 55.97 55.09 3kob s LYS 136 Cb 0.06 -4.29 -0.17 0.00 -1.68 0.00 0.00 37.83 31.74 3kob s LYS 136 CO 0.14 -2.43 0.75 0.34 -0.76 0.00 0.00 175.35 173.38 3kob n PHE 137 N 11.47 0.08 -1.21 3.18 7.35 -1.26 -1.38 117.46 135.70 3kob n PHE 137 Ca 0.16 0.95 -0.07 0.00 -0.76 0.00 0.00 57.45 57.73 3kob n PHE 137 Cb 0.51 -1.89 -0.03 0.00 0.35 0.00 0.00 39.48 38.41 3kob n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kob n GLY 138 N 1.63 0.72 3.83 7.13 0.00 -1.26 -4.96 105.19 112.27 3kob n GLY 138 Ca 0.18 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3kob n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kob s ASN 139 N -2.29 6.34 0.06 1.61 0.01 -0.48 -5.07 114.94 115.13 3kob s ASN 139 Ca 0.00 0.40 -0.34 0.00 -0.71 0.00 0.00 52.86 52.21 3kob s ASN 139 Cb 0.00 -2.08 -0.13 0.00 0.41 0.00 0.00 41.25 39.45 3kob s ASN 139 CO 0.00 0.33 1.69 0.00 -1.51 0.00 0.00 177.10 177.62 3kob n TYR 140 N 2.48 2.28 -4.60 2.20 9.36 -1.26 -4.92 117.16 122.71 3kob n TYR 140 Ca -0.19 0.17 -0.28 0.00 3.32 0.00 0.00 57.90 60.92 3kob n TYR 140 Cb 0.54 -2.59 -0.08 0.00 -0.63 0.00 0.00 39.34 36.58 3kob n TYR 140 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 3kob s MET 141 N 2.16 2.01 -0.11 2.98 -1.94 -1.26 -4.23 119.30 118.91 3kob s MET 141 Ca 0.84 -2.24 -0.05 0.00 -1.71 0.00 0.00 55.69 52.53 3kob s MET 141 Cb -0.69 -0.93 0.05 0.00 2.01 0.00 0.00 34.83 35.27 3kob s MET 141 CO 0.43 -0.43 0.25 1.21 -0.01 0.00 0.00 175.02 176.48 3kob s ASN 142 N -3.69 -0.21 -0.32 3.03 3.04 -0.81 -4.99 114.94 110.99 3kob s ASN 142 Ca 0.18 0.54 -0.01 0.00 0.04 0.00 0.00 52.86 53.62 3kob s ASN 142 Cb 0.02 0.45 0.10 0.00 -1.54 0.00 0.00 41.25 40.28 3kob s ASN 142 CO 0.11 -0.17 0.11 -0.63 -3.04 0.00 0.00 177.10 173.48 3kob s ILE 143 N 1.38 0.82 0.07 -5.21 1.01 -1.26 -0.99 121.20 117.02 3kob s ILE 143 Ca -0.08 -1.43 -0.33 0.00 0.00 0.00 0.00 60.65 58.81 3kob s ILE 143 Cb -0.10 -1.62 -0.12 0.00 0.01 0.00 0.00 42.46 40.62 3kob s ILE 143 CO -0.09 -0.70 1.73 0.47 0.00 0.00 0.00 174.94 176.36 3kob n ASP 144 N 4.78 3.43 -4.01 3.58 9.92 -1.14 -4.88 116.55 128.23 3kob n ASP 144 Ca -0.01 1.03 -0.17 0.00 -0.53 0.00 0.00 54.79 55.10 3kob n ASP 144 Cb 0.41 -1.44 -0.14 0.00 -0.64 0.00 0.00 41.12 39.31 3kob n ASP 144 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3kob s VAL 145 N 2.32 0.63 -0.46 2.53 1.01 -1.26 -1.00 120.40 124.17 3kob s VAL 145 Ca 0.84 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 3kob s VAL 145 Cb -0.64 -0.55 0.12 0.00 0.00 0.00 0.00 36.38 35.31 3kob s VAL 145 CO 0.42 0.12 0.32 -0.89 0.00 0.00 0.00 175.10 175.07 3kob s THR 146 N -0.31 4.07 0.02 3.92 2.01 0.28 -5.01 115.64 120.62 3kob s THR 146 Ca 0.02 -1.82 -0.30 0.00 0.31 0.00 0.00 61.69 59.90 3kob s THR 146 Cb -0.04 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 3kob s THR 146 CO -0.00 -0.75 1.11 0.20 -0.69 0.00 0.00 174.62 174.49 3kob s ASN 147 N 2.53 7.19 -0.82 3.53 0.01 -1.26 -1.69 114.94 124.42 3kob s ASN 147 Ca 0.06 1.85 -0.07 0.00 -0.71 0.00 0.00 52.86 53.99 3kob s ASN 147 Cb -0.26 -2.57 0.21 0.00 0.41 0.00 0.00 41.25 39.04 3kob s ASN 147 CO -0.01 -0.40 0.72 -0.62 -1.51 0.00 0.00 177.10 175.27 3kob s ASP 148 N 1.09 6.15 0.00 -1.22 2.15 0.19 -4.67 116.67 120.36 3kob s ASP 148 Ca 0.56 -3.14 0.00 0.00 0.43 0.00 0.00 52.55 50.39 3kob s ASP 148 Cb -0.25 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 3kob s ASP 148 CO 0.28 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 3kob n GLY 149 N 3.21 0.21 3.89 2.66 0.00 -1.26 -4.19 105.19 109.71 3kob n GLY 149 Ca 0.15 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 3kob n GLY 149 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kob s PRO 150 N 0.00 0.58 -0.26 1.61 0.02 -1.26 -5.17 135.00 130.52 3kob s PRO 150 Ca 0.00 -0.31 -0.02 0.00 0.02 0.00 0.00 61.00 60.69 3kob s PRO 150 Cb 0.00 -1.83 0.12 0.00 0.02 0.00 0.00 34.50 32.81 3kob s PRO 150 CO 0.00 -2.47 0.28 0.08 -0.33 0.00 0.00 177.00 174.56 3kob s VAL 151 N -3.76 -0.40 -0.29 3.83 1.01 -1.26 -5.02 120.40 114.51 3kob s VAL 151 Ca 0.72 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 3kob s VAL 151 Cb -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3kob s VAL 151 CO 0.53 -0.36 0.09 -0.89 0.00 0.00 0.00 175.10 174.47 3kob s THR 152 N 2.37 4.06 -0.04 3.92 2.01 -1.26 -1.49 115.64 125.20 3kob s THR 152 Ca 0.09 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 3kob s THR 152 Cb -0.15 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 3kob s THR 152 CO -0.25 0.10 0.20 -0.63 -0.69 0.00 0.00 174.62 173.35 3kob s ILE 153 N 1.52 5.41 -0.05 1.82 -1.09 0.55 -4.94 121.20 124.42 3kob s ILE 153 Ca 0.03 0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.62 3kob s ILE 153 Cb -0.17 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3kob s ILE 153 CO 0.03 0.46 -0.23 -0.47 -1.23 0.00 0.00 174.94 173.49 3kob s TYR 154 N -1.20 2.26 -0.05 3.97 5.04 -1.26 -0.75 117.35 125.37 3kob s TYR 154 Ca 0.23 -0.66 -0.02 0.00 -2.44 0.00 0.00 57.07 54.17 3kob s TYR 154 Cb -0.13 -1.49 0.03 0.00 0.35 0.00 0.00 41.96 40.72 3kob s TYR 154 CO 0.12 -0.20 0.10 0.42 -1.34 0.00 0.00 175.55 174.65 3kob s ILE 155 N -0.13 -0.04 -0.10 3.14 1.01 -1.18 -5.06 121.20 118.84 3kob s ILE 155 Ca -0.03 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.79 3kob s ILE 155 Cb -0.13 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.19 3kob s ILE 155 CO 0.03 0.07 -0.12 -0.62 0.00 0.00 0.00 174.94 174.30 3kob s ASP 156 N 0.95 2.17 0.21 3.58 -1.08 -1.26 -3.15 116.67 118.09 3kob s ASP 156 Ca -0.07 -0.35 0.21 0.00 -0.52 0.00 0.00 52.55 51.81 3kob s ASP 156 Cb -0.10 -0.93 0.91 0.00 -1.46 0.00 0.00 42.92 41.33 3kob s ASP 156 CO -0.04 -0.03 1.63 0.35 0.52 0.00 0.00 175.17 177.60 3kob n THR 157 N 4.38 0.94 0.96 1.71 -2.24 -0.62 -2.90 114.28 116.50 3kob n THR 157 Ca -0.18 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3kob n THR 157 Cb 0.51 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 3kob n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kob n HIS 158 N -2.09 0.00 -0.03 4.78 8.25 -1.26 -4.94 115.22 119.92 3kob n HIS 158 Ca 0.02 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3kob n HIS 158 Cb 0.18 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3kob n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73