#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukv s GLU 4 N 0.00 3.85 0.10 4.33 8.01 -1.26 -5.10 118.70 128.63 1ukv s GLU 4 Ca 0.00 0.51 -0.05 0.00 0.01 0.00 0.00 54.97 55.44 1ukv s GLU 4 Cb 0.00 -2.42 -0.02 0.00 -4.31 0.00 0.00 34.13 27.38 1ukv s GLU 4 CO 0.00 0.05 0.11 1.52 0.01 0.00 0.00 175.26 176.95 1ukv s TYR 5 N -2.22 0.48 -0.14 1.61 -0.85 -1.26 -5.02 117.35 109.95 1ukv s TYR 5 Ca 0.52 -0.92 -0.14 0.00 -0.52 0.00 0.00 57.07 56.01 1ukv s TYR 5 Cb -0.10 -0.26 -0.24 0.00 0.38 0.00 0.00 41.96 41.73 1ukv s TYR 5 CO 0.26 -0.53 0.37 -0.44 -1.52 0.00 0.00 175.55 173.70 1ukv h ASP 6 N 2.85 0.28 -4.66 -0.18 3.32 -0.64 -3.38 116.42 114.01 1ukv h ASP 6 Ca -0.34 -0.79 -0.26 0.00 0.02 0.00 0.00 57.03 55.66 1ukv h ASP 6 Cb 1.19 -0.09 -0.22 0.00 0.22 0.00 0.00 39.33 40.42 1ukv h ASP 6 CO 0.58 1.69 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.75 1ukv s TYR 7 N -2.48 0.56 -0.18 4.55 1.51 -1.05 -3.92 117.35 116.34 1ukv s TYR 7 Ca -0.24 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.40 1ukv s TYR 7 Cb 0.06 -0.34 0.02 0.00 -0.11 0.00 0.00 41.96 41.59 1ukv s TYR 7 CO 0.72 -0.09 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.71 1ukv s LEU 8 N -1.33 2.13 0.10 -1.29 2.96 -0.01 -0.81 118.68 120.43 1ukv s LEU 8 Ca -0.09 -0.66 0.08 0.00 -0.22 0.00 0.00 54.13 53.24 1ukv s LEU 8 Cb -0.09 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1ukv s LEU 8 CO 0.00 -0.02 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.49 1ukv s PHE 9 N 1.31 2.57 -0.25 5.38 2.99 -0.47 -4.75 117.98 124.76 1ukv s PHE 9 Ca 0.04 -0.25 -0.07 0.00 0.00 0.00 0.00 56.93 56.66 1ukv s PHE 9 Cb -0.13 -1.37 -0.02 0.00 0.00 0.00 0.00 43.02 41.49 1ukv s PHE 9 CO -0.12 0.37 0.05 0.21 -0.00 0.00 0.00 175.22 175.74 1ukv s LYS 10 N -2.05 3.59 0.11 0.44 2.20 -1.26 -1.44 119.74 121.31 1ukv s LYS 10 Ca 0.18 -0.52 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 1ukv s LYS 10 Cb -0.11 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1ukv s LYS 10 CO 0.10 -0.20 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.21 1ukv s LEU 11 N 1.59 2.75 0.12 5.43 1.02 0.01 -0.69 118.68 128.90 1ukv s LEU 11 Ca 0.06 -0.52 0.10 0.00 0.02 0.00 0.00 54.13 53.79 1ukv s LEU 11 Cb -0.15 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 1ukv s LEU 11 CO 0.03 0.19 -0.24 -0.76 0.02 0.00 0.00 176.35 175.58 1ukv s LEU 12 N -2.08 2.32 -0.09 1.79 1.43 -0.39 -0.44 118.68 121.22 1ukv s LEU 12 Ca 0.18 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1ukv s LEU 12 Cb -0.11 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1ukv s LEU 12 CO 0.10 0.11 -0.02 -0.76 0.23 0.00 0.00 176.35 176.02 1ukv s LEU 13 N -2.01 3.47 0.06 1.79 1.43 -0.61 -0.84 118.68 121.97 1ukv s LEU 13 Ca 0.10 0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 1ukv s LEU 13 Cb -0.10 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1ukv s LEU 13 CO 0.05 0.36 0.19 -0.51 0.23 0.00 0.00 176.35 176.67 1ukv s ILE 14 N -0.78 0.13 0.00 -0.59 1.10 -0.53 -4.49 121.20 116.04 1ukv s ILE 14 Ca 0.12 -1.03 0.00 0.00 -0.51 0.00 0.00 60.65 59.23 1ukv s ILE 14 Cb -0.11 -1.12 0.00 0.00 0.15 0.00 0.00 42.46 41.38 1ukv s ILE 14 CO 0.02 -0.57 0.00 0.61 -2.11 0.00 0.00 174.94 172.89 1ukv n GLY 15 N 0.32 2.46 3.71 1.50 0.00 -1.26 -0.44 105.19 111.48 1ukv n GLY 15 Ca -0.17 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 1ukv n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ukv s ASN 16 N 0.00 3.82 0.36 1.61 -0.87 -1.26 -4.90 114.94 113.71 1ukv s ASN 16 Ca 0.00 2.38 -0.28 0.00 -1.57 0.00 0.00 52.86 53.38 1ukv s ASN 16 Cb 0.00 -2.59 -0.11 0.00 -0.02 0.00 0.00 41.25 38.53 1ukv s ASN 16 CO 0.00 -2.51 1.44 -1.20 -2.57 0.00 0.00 177.10 172.26 1ukv n SER 17 N -3.06 3.52 0.00 -1.22 7.64 -1.26 -3.22 113.62 116.02 1ukv n SER 17 Ca 0.14 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1ukv n SER 17 Cb 0.50 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1ukv n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ukv n GLY 18 N 0.69 1.04 0.11 0.23 0.00 -1.26 -4.93 105.19 101.07 1ukv n GLY 18 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1ukv n GLY 18 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ukv n VAL 19 N -2.00 0.62 0.00 1.61 0.24 -1.20 -4.92 118.33 112.68 1ukv n VAL 19 Ca 0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1ukv n VAL 19 Cb 0.00 -0.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 1ukv n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ukv n GLY 20 N 1.21 1.57 0.06 7.63 0.00 -1.26 -4.58 105.19 109.81 1ukv n GLY 20 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1ukv n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ukv h LYS 21 N 0.00 0.06 -0.74 1.61 1.57 -1.91 0.67 116.57 117.84 1ukv h LYS 21 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1ukv h LYS 21 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1ukv h LYS 21 CO 0.00 0.08 0.29 0.77 -0.57 0.00 0.00 179.45 180.02 1ukv h SER 22 N 0.03 1.02 -0.26 0.86 0.02 -1.99 -1.63 113.55 111.59 1ukv h SER 22 Ca 0.02 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 1ukv h SER 22 Cb 0.03 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1ukv h SER 22 CO -0.00 0.91 -0.14 0.00 -1.14 0.00 0.00 176.83 176.46 1ukv h LEU 24 N 0.62 0.71 -0.57 0.00 3.38 -0.42 0.14 115.31 119.16 1ukv h LEU 24 Ca 0.10 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1ukv h LEU 24 Cb 0.60 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ukv h LEU 24 CO 0.04 0.65 0.15 0.25 0.09 0.00 0.00 178.44 179.61 1ukv h LEU 25 N 0.72 0.87 -1.06 1.67 5.85 -1.00 -1.59 115.31 120.77 1ukv h LEU 25 Ca 0.18 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1ukv h LEU 25 Cb 0.13 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1ukv h LEU 25 CO -0.02 0.87 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.70 1ukv h LEU 26 N 0.82 0.46 -0.40 2.25 3.38 -0.96 0.72 115.31 121.59 1ukv h LEU 26 Ca 0.18 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1ukv h LEU 26 Cb 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ukv h LEU 26 CO 0.00 0.65 -0.10 -0.09 0.09 0.00 0.00 178.44 178.99 1ukv h ARG 27 N 0.43 0.77 -0.27 1.13 9.65 -0.67 0.19 114.38 125.61 1ukv h ARG 27 Ca 0.07 -0.30 -0.12 0.00 -1.10 0.00 0.00 59.98 58.54 1ukv h ARG 27 Cb 0.55 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1ukv h ARG 27 CO 0.04 0.91 -0.29 0.35 2.80 0.00 0.00 179.97 183.78 1ukv h PHE 28 N 0.59 0.81 0.05 2.20 3.57 -0.95 -1.40 116.94 121.82 1ukv h PHE 28 Ca 0.10 -0.25 -0.10 0.00 3.53 0.00 0.00 57.97 61.25 1ukv h PHE 28 Cb 0.62 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 39.20 1ukv h PHE 28 CO 0.05 0.99 -0.43 0.66 -2.23 0.00 0.00 178.31 177.34 1ukv h SER 29 N 0.41 0.29 -0.01 0.41 4.64 -0.86 -3.39 113.55 115.04 1ukv h SER 29 Ca 0.04 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 1ukv h SER 29 Cb 0.86 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1ukv h SER 29 CO 0.07 1.16 -0.25 0.47 -0.87 0.00 0.00 176.83 177.41 1ukv n ASP 30 N -4.36 1.32 -3.86 4.97 10.43 0.02 -5.00 116.55 120.07 1ukv n ASP 30 Ca -0.11 -1.16 -0.27 0.00 2.57 0.00 0.00 54.79 55.82 1ukv n ASP 30 Cb 0.64 0.48 0.02 0.00 1.84 0.00 0.00 41.12 44.09 1ukv n ASP 30 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1ukv n ASP 31 N -0.23 -3.13 -4.31 -2.24 2.03 -0.53 -4.99 116.55 103.16 1ukv n ASP 31 Ca 0.05 -0.82 -0.17 0.00 0.52 0.00 0.00 54.79 54.37 1ukv n ASP 31 Cb 0.25 -3.83 -0.10 0.00 -0.72 0.00 0.00 41.12 36.72 1ukv n ASP 31 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ukv s THR 32 N -3.48 1.44 -0.16 5.18 -4.23 -1.23 -4.99 115.64 108.17 1ukv s THR 32 Ca 0.39 -2.13 -0.08 0.00 -1.18 0.00 0.00 61.69 58.69 1ukv s THR 32 Cb -0.20 -1.99 0.06 0.00 1.34 0.00 0.00 72.50 71.71 1ukv s THR 32 CO 0.83 -0.63 0.37 -0.47 -0.54 0.00 0.00 174.62 174.18 1ukv s TYR 33 N -3.16 -0.56 -0.21 3.99 5.04 -1.26 -3.39 117.35 117.80 1ukv s TYR 33 Ca 0.21 1.20 -0.05 0.00 -2.44 0.00 0.00 57.07 55.99 1ukv s TYR 33 Cb 0.01 0.21 -0.02 0.00 0.35 0.00 0.00 41.96 42.51 1ukv s TYR 33 CO 0.04 -0.34 -0.01 0.99 -1.34 0.00 0.00 175.55 174.89 1ukv s THR 34 N 1.61 3.75 0.55 4.34 2.01 -1.26 -5.10 115.64 121.53 1ukv s THR 34 Ca -0.08 -0.37 -0.21 0.00 0.31 0.00 0.00 61.69 61.34 1ukv s THR 34 Cb -0.10 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1ukv s THR 34 CO -0.12 0.42 1.28 0.20 -0.69 0.00 0.00 174.62 175.71 1ukv s ASN 35 N 1.26 5.37 -1.50 3.53 0.01 -1.26 -2.71 114.94 119.63 1ukv s ASN 35 Ca 0.03 2.58 -0.06 0.00 -0.71 0.00 0.00 52.86 54.70 1ukv s ASN 35 Cb -0.15 -2.62 0.05 0.00 0.41 0.00 0.00 41.25 38.95 1ukv s ASN 35 CO 0.00 -1.49 0.54 0.47 -1.51 0.00 0.00 177.10 175.11 1ukv n ASP 36 N -1.13 -1.36 -4.65 -1.22 8.00 -1.26 -4.81 116.55 110.12 1ukv n ASP 36 Ca 0.11 -1.01 -0.47 0.00 0.71 0.00 0.00 54.79 54.13 1ukv n ASP 36 Cb 0.47 -2.96 -0.05 0.00 -0.02 0.00 0.00 41.12 38.56 1ukv n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ukv n TYR 37 N -4.42 2.11 -3.67 1.24 9.36 -1.10 -4.99 117.16 115.69 1ukv n TYR 37 Ca -0.18 0.34 -0.13 0.00 3.32 0.00 0.00 57.90 61.26 1ukv n TYR 37 Cb 0.62 -2.50 -0.13 0.00 -0.63 0.00 0.00 39.34 36.71 1ukv n TYR 37 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1ukv s ILE 38 N 0.91 -0.39 -0.05 2.97 -1.09 -1.26 -5.13 121.20 117.16 1ukv s ILE 38 Ca 0.80 0.25 0.06 0.00 -2.23 0.00 0.00 60.65 59.53 1ukv s ILE 38 Cb -0.74 -0.47 -0.01 0.00 -1.58 0.00 0.00 42.46 39.66 1ukv s ILE 38 CO 0.40 0.10 -0.22 -0.55 -1.23 0.00 0.00 174.94 173.44 1ukv s SER 39 N 2.28 2.71 0.04 3.58 0.15 -1.26 -5.01 113.70 116.17 1ukv s SER 39 Ca -0.01 -0.44 -0.22 0.00 0.70 0.00 0.00 55.95 55.98 1ukv s SER 39 Cb -0.12 -0.68 -0.15 0.00 -1.71 0.00 0.00 66.02 63.36 1ukv s SER 39 CO -0.09 0.22 1.39 0.71 1.20 0.00 0.00 173.24 176.67 1ukv h THR 40 N 5.06 1.31 -3.82 6.45 1.35 -2.06 -3.40 112.91 117.80 1ukv h THR 40 Ca -0.33 -1.07 -0.63 0.00 -0.55 0.00 0.00 66.41 63.82 1ukv h THR 40 Cb 1.17 1.78 -0.16 0.00 -1.73 0.00 0.00 68.15 69.20 1ukv h THR 40 CO 0.47 0.31 -0.49 -0.63 -0.25 0.00 0.00 175.52 174.93 1ukv s ILE 41 N -4.59 5.31 0.62 6.82 1.01 -1.26 -5.08 121.20 124.03 1ukv s ILE 41 Ca -0.14 0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.57 1ukv s ILE 41 Cb 0.05 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 1ukv s ILE 41 CO 0.72 0.26 1.05 -0.83 0.00 0.00 0.00 174.94 176.14 1ukv s GLY 42 N 1.61 1.95 0.35 6.18 0.00 -1.26 -4.99 107.32 111.15 1ukv s GLY 42 Ca 0.08 0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.76 1ukv s GLY 42 CO 0.10 0.56 1.36 0.14 0.00 0.00 0.00 173.10 175.26 1ukv s VAL 43 N -2.70 2.50 0.00 1.40 1.01 -1.26 -4.96 120.40 116.40 1ukv s VAL 43 Ca 0.61 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1ukv s VAL 43 Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1ukv s VAL 43 CO 0.43 0.12 0.00 -0.67 0.00 0.00 0.00 175.10 174.98 1ukv n ASP 44 N 0.68 0.00 -3.81 3.32 -0.08 -1.26 -4.10 116.55 111.31 1ukv n ASP 44 Ca 0.00 0.08 -0.10 0.00 -1.51 0.00 0.00 54.79 53.26 1ukv n ASP 44 Cb 0.41 -0.36 -0.05 0.00 2.34 0.00 0.00 41.12 43.46 1ukv n ASP 44 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1ukv s PHE 45 N -0.72 0.05 0.05 -0.67 -0.12 -1.26 -1.44 117.98 113.86 1ukv s PHE 45 Ca 0.00 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 56.53 1ukv s PHE 45 Cb 0.00 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.60 1ukv s PHE 45 CO 0.00 -0.84 -0.14 0.15 -0.05 0.00 0.00 175.22 174.34 1ukv s LYS 46 N -3.90 0.91 -0.16 1.99 -0.14 -0.18 -4.97 119.74 113.30 1ukv s LYS 46 Ca 0.11 -0.82 -0.02 0.00 -1.36 0.00 0.00 55.97 53.89 1ukv s LYS 46 Cb 0.01 -0.93 -0.01 0.00 -1.68 0.00 0.00 37.83 35.21 1ukv s LYS 46 CO -0.02 0.22 -0.09 0.42 -0.76 0.00 0.00 175.35 175.12 1ukv s ILE 47 N -0.96 3.26 -0.01 2.17 1.01 -1.26 -0.48 121.20 124.93 1ukv s ILE 47 Ca 0.01 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1ukv s ILE 47 Cb -0.08 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.98 1ukv s ILE 47 CO 0.02 0.49 -0.01 -0.75 0.00 0.00 0.00 174.94 174.69 1ukv s LYS 48 N 0.68 0.18 -0.20 2.79 2.20 -0.31 -4.98 119.74 120.11 1ukv s LYS 48 Ca -0.05 -0.00 -0.07 0.00 -0.36 0.00 0.00 55.97 55.49 1ukv s LYS 48 Cb -0.15 -0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 35.87 1ukv s LYS 48 CO 0.02 -0.03 0.05 0.99 -0.36 0.00 0.00 175.35 176.02 1ukv s THR 49 N 0.38 4.47 0.25 3.43 2.01 -1.26 -0.24 115.64 124.68 1ukv s THR 49 Ca -0.03 -0.14 0.11 0.00 0.31 0.00 0.00 61.69 61.94 1ukv s THR 49 Cb -0.06 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 1ukv s THR 49 CO -0.01 0.43 -0.19 0.68 -0.69 0.00 0.00 174.62 174.84 1ukv s VAL 50 N 0.74 2.28 -0.28 3.82 -7.23 0.20 -4.96 120.40 114.96 1ukv s VAL 50 Ca 0.02 -2.29 -0.14 0.00 -1.81 0.00 0.00 61.98 57.77 1ukv s VAL 50 Cb -0.14 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1ukv s VAL 50 CO 0.02 -0.39 0.32 -1.61 -0.31 0.00 0.00 175.10 173.12 1ukv s GLU 51 N -3.37 3.93 -0.26 4.82 0.41 -1.26 -0.45 118.70 122.51 1ukv s GLU 51 Ca 0.26 -0.13 0.02 0.00 -0.41 0.00 0.00 54.97 54.72 1ukv s GLU 51 Cb -0.05 -3.68 0.07 0.00 -1.78 0.00 0.00 34.13 28.69 1ukv s GLU 51 CO 0.12 -0.28 -0.05 -1.17 -0.49 0.00 0.00 175.26 173.38 1ukv s LEU 52 N 1.97 3.15 -1.56 1.80 2.96 0.26 -4.81 118.68 122.46 1ukv s LEU 52 Ca 0.12 -1.40 -0.09 0.00 -0.22 0.00 0.00 54.13 52.54 1ukv s LEU 52 Cb -0.16 -1.36 0.07 0.00 0.50 0.00 0.00 46.19 45.25 1ukv s LEU 52 CO 0.10 -0.24 0.55 0.47 -1.32 0.00 0.00 176.35 175.91 1ukv n ASP 53 N 4.54 -1.56 0.00 3.68 10.43 -1.26 -0.73 116.55 131.64 1ukv n ASP 53 Ca -0.10 -1.04 0.00 0.00 2.57 0.00 0.00 54.79 56.22 1ukv n ASP 53 Cb 0.43 -2.77 0.00 0.00 1.84 0.00 0.00 41.12 40.62 1ukv n ASP 53 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ukv n GLY 54 N -1.77 1.10 3.54 0.44 0.00 -1.26 -5.06 105.19 102.18 1ukv n GLY 54 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1ukv n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ukv s LYS 55 N -0.55 2.01 -0.35 1.61 -0.14 0.09 -5.10 119.74 117.30 1ukv s LYS 55 Ca 0.00 -1.07 -0.19 0.00 -1.36 0.00 0.00 55.97 53.35 1ukv s LYS 55 Cb 0.00 -2.24 -0.00 0.00 -1.68 0.00 0.00 37.83 33.91 1ukv s LYS 55 CO 0.00 0.50 0.54 0.99 -0.76 0.00 0.00 175.35 176.62 1ukv s THR 56 N -1.18 4.99 -0.24 2.17 2.01 -1.26 0.91 115.64 123.04 1ukv s THR 56 Ca 0.20 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 1ukv s THR 56 Cb -0.11 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1ukv s THR 56 CO 0.12 -0.23 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.09 1ukv s VAL 57 N 2.45 3.12 -0.11 3.82 1.01 0.40 0.19 120.40 131.29 1ukv s VAL 57 Ca 0.20 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1ukv s VAL 57 Cb -0.15 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1ukv s VAL 57 CO 0.13 0.27 0.54 -0.75 0.00 0.00 0.00 175.10 175.30 1ukv s LYS 58 N 1.39 4.36 -0.13 2.72 2.20 0.01 -0.63 119.74 129.67 1ukv s LYS 58 Ca 0.03 0.57 0.02 0.00 -0.36 0.00 0.00 55.97 56.22 1ukv s LYS 58 Cb -0.16 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1ukv s LYS 58 CO -0.04 0.12 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.37 1ukv s LEU 59 N 0.72 2.35 -0.32 5.43 1.43 0.67 -1.37 118.68 127.58 1ukv s LEU 59 Ca 0.29 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1ukv s LEU 59 Cb -0.16 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1ukv s LEU 59 CO 0.12 0.13 0.12 -1.58 0.23 0.00 0.00 176.35 175.37 1ukv s GLN 60 N 0.53 2.97 -0.23 1.70 0.74 -0.52 -1.16 119.66 123.68 1ukv s GLN 60 Ca -0.12 -0.95 -0.06 0.00 0.05 0.00 0.00 55.36 54.28 1ukv s GLN 60 Cb -0.16 -3.48 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 1ukv s GLN 60 CO 0.04 -0.54 0.02 0.42 -0.55 0.00 0.00 175.29 174.68 1ukv s ILE 61 N 1.50 3.89 0.04 -2.34 1.01 0.37 -0.81 121.20 124.87 1ukv s ILE 61 Ca 0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 1ukv s ILE 61 Cb -0.18 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 1ukv s ILE 61 CO 0.04 0.39 0.33 0.26 0.00 0.00 0.00 174.94 175.95 1ukv s TRP 62 N 1.47 3.58 0.38 3.97 0.52 0.42 -1.01 118.94 128.27 1ukv s TRP 62 Ca 0.05 0.67 0.08 0.00 0.02 0.00 0.00 56.10 56.92 1ukv s TRP 62 Cb -0.15 -2.06 -0.06 0.00 -1.15 0.00 0.00 33.47 30.05 1ukv s TRP 62 CO 0.01 0.57 0.08 0.34 0.02 0.00 0.00 176.95 177.96 1ukv s ASP 63 N -1.74 4.21 0.04 2.95 2.15 -0.52 -1.57 116.67 122.20 1ukv s ASP 63 Ca 0.30 -1.10 0.26 0.00 0.43 0.00 0.00 52.55 52.45 1ukv s ASP 63 Cb -0.14 -0.49 0.77 0.00 -0.30 0.00 0.00 42.92 42.77 1ukv s ASP 63 CO 0.17 -0.40 1.62 0.35 -0.17 0.00 0.00 175.17 176.75 1ukv n THR 64 N -1.07 0.13 -2.19 1.71 -2.24 -1.26 -4.86 114.28 104.50 1ukv n THR 64 Ca -0.03 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1ukv n THR 64 Cb 0.64 -0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1ukv n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ukv n ALA 65 N -1.59 -0.61 -0.96 6.98 0.00 -1.26 -1.64 120.51 121.44 1ukv n ALA 65 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ukv n ALA 65 Cb 0.36 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1ukv n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukv n GLY 66 N -0.73 0.67 0.15 0.00 0.00 -1.26 -4.89 105.19 99.13 1ukv n GLY 66 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1ukv n GLY 66 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ukv n GLN 67 N -2.18 0.18 0.00 1.61 6.02 -0.65 -1.70 117.38 120.65 1ukv n GLN 67 Ca 0.00 0.51 0.13 0.00 -0.01 0.00 0.00 57.00 57.63 1ukv n GLN 67 Cb 0.03 -1.92 0.58 0.00 1.02 0.00 0.00 30.24 29.95 1ukv n GLN 67 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ukv n GLU 68 N -2.27 0.03 -0.13 -1.09 0.00 -1.26 -1.07 120.64 114.85 1ukv n GLU 68 Ca 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 57.16 57.16 1ukv n GLU 68 Cb 0.15 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.11 1ukv n GLU 68 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1ukv h ARG 69 N 0.00 -0.10 -0.34 3.44 2.43 -1.71 -0.90 114.38 117.20 1ukv h ARG 69 Ca 0.00 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 1ukv h ARG 69 Cb 0.44 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.88 1ukv h ARG 69 CO 0.00 -0.06 -0.24 1.19 -1.51 0.00 0.00 179.97 179.35 1ukv n PHE 70 N -5.38 1.11 -3.65 2.20 3.01 -1.26 -4.91 117.46 108.59 1ukv n PHE 70 Ca 0.03 -1.72 -0.25 0.00 1.01 0.00 0.00 57.45 56.52 1ukv n PHE 70 Cb 0.29 -0.46 0.04 0.00 -0.01 0.00 0.00 39.48 39.34 1ukv n PHE 70 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1ukv n ARG 71 N -1.07 -2.91 -2.42 -1.08 1.74 -0.34 -4.92 116.66 105.66 1ukv n ARG 71 Ca 0.32 0.57 -0.22 0.00 -0.77 0.00 0.00 57.85 57.76 1ukv n ARG 71 Cb 0.93 -4.79 0.01 0.00 -1.02 0.00 0.00 32.46 27.59 1ukv n ARG 71 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ukv n THR 72 N -4.10 2.12 -2.18 0.55 -2.24 -0.23 -5.02 114.28 103.18 1ukv n THR 72 Ca -0.19 -4.32 -0.42 0.00 -2.27 0.00 0.00 64.05 56.85 1ukv n THR 72 Cb 0.64 -0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1ukv n THR 72 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ukv s ILE 73 N -4.81 3.31 0.06 2.28 1.01 -1.21 -4.79 121.20 117.05 1ukv s ILE 73 Ca 0.44 0.96 -0.31 0.00 0.00 0.00 0.00 60.65 61.74 1ukv s ILE 73 Cb 0.41 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.19 1ukv s ILE 73 CO -0.09 0.08 1.47 0.42 0.00 0.00 0.00 174.94 176.82 1ukv s THR 74 N 0.99 3.35 0.58 2.92 -4.23 -1.26 -4.88 115.64 113.11 1ukv s THR 74 Ca 0.63 0.86 0.29 0.00 -1.18 0.00 0.00 61.69 62.29 1ukv s THR 74 Cb -0.37 -3.55 0.39 0.00 1.34 0.00 0.00 72.50 70.31 1ukv s THR 74 CO 0.31 0.02 1.90 0.77 -0.54 0.00 0.00 174.62 177.08 1ukv h SER 75 N 7.55 0.00 0.22 3.99 4.64 -2.02 0.21 113.55 128.14 1ukv h SER 75 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ukv h SER 75 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ukv h SER 75 CO 0.90 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.63 1ukv h SER 76 N 0.00 0.00 -0.89 4.97 4.64 -1.99 -2.48 113.55 117.80 1ukv h SER 76 Ca 0.24 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.76 1ukv h SER 76 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 1ukv h SER 76 CO -0.00 0.00 0.59 0.22 -0.87 0.00 0.00 176.83 176.77 1ukv h TYR 77 N 0.00 0.48 0.00 4.77 3.20 -0.94 -1.79 116.97 122.69 1ukv h TYR 77 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ukv h TYR 77 Cb 0.11 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1ukv h TYR 77 CO 0.00 0.13 -0.29 0.66 -1.64 0.00 0.00 178.16 177.02 1ukv n TYR 78 N -4.49 0.01 -1.65 -3.82 4.02 -0.93 -4.86 117.16 105.44 1ukv n TYR 78 Ca 0.19 0.00 -0.48 0.00 -0.01 0.00 0.00 57.90 57.61 1ukv n TYR 78 Cb 0.71 -0.36 -0.05 0.00 -0.02 0.00 0.00 39.34 39.62 1ukv n TYR 78 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ukv n ARG 79 N -1.51 1.89 -1.14 -0.72 5.12 -0.68 -2.16 116.66 117.47 1ukv n ARG 79 Ca 0.06 0.68 -0.05 0.00 -1.93 0.00 0.00 57.85 56.61 1ukv n ARG 79 Cb 0.34 -2.42 -0.02 0.00 -1.16 0.00 0.00 32.46 29.20 1ukv n ARG 79 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ukv n GLY 80 N 3.18 0.60 3.76 -0.13 0.00 -1.26 -4.97 105.19 106.37 1ukv n GLY 80 Ca 0.17 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1ukv n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ukv s SER 81 N -2.27 7.29 -0.15 1.61 1.04 -0.92 -4.64 113.70 115.67 1ukv s SER 81 Ca 0.00 2.19 0.16 0.00 0.48 0.00 0.00 55.95 58.77 1ukv s SER 81 Cb 0.00 -2.62 -0.22 0.00 0.10 0.00 0.00 66.02 63.28 1ukv s SER 81 CO 0.00 -0.12 0.11 1.41 0.98 0.00 0.00 173.24 175.62 1ukv n HIS 82 N 1.12 0.00 -3.75 5.02 8.25 0.13 -4.79 115.22 121.20 1ukv n HIS 82 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1ukv n HIS 82 Cb 0.46 -0.78 -0.09 0.00 1.12 0.00 0.00 29.99 30.70 1ukv n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ukv s GLY 83 N -4.95 -0.19 -0.07 -1.41 0.00 -1.08 -1.76 107.32 97.85 1ukv s GLY 83 Ca -0.08 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.17 1ukv s GLY 83 CO 0.71 0.33 -0.07 -0.42 0.00 0.00 0.00 173.10 173.65 1ukv s ILE 84 N -0.94 0.81 -0.35 0.90 1.01 0.39 -1.26 121.20 121.76 1ukv s ILE 84 Ca -0.10 -0.23 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 1ukv s ILE 84 Cb -0.04 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 1ukv s ILE 84 CO 0.03 0.30 0.26 -0.63 0.00 0.00 0.00 174.94 174.91 1ukv s ILE 85 N 1.23 5.27 -0.25 2.92 1.01 -0.02 -1.87 121.20 129.50 1ukv s ILE 85 Ca -0.05 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 1ukv s ILE 85 Cb -0.14 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1ukv s ILE 85 CO -0.02 -0.05 0.46 -0.63 0.00 0.00 0.00 174.94 174.70 1ukv s ILE 86 N 1.74 5.12 -0.04 2.92 1.01 -0.06 -1.45 121.20 130.45 1ukv s ILE 86 Ca 0.06 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.52 1ukv s ILE 86 Cb -0.17 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1ukv s ILE 86 CO 0.11 0.14 -0.12 -0.69 0.00 0.00 0.00 174.94 174.37 1ukv s VAL 87 N 2.02 3.23 0.31 2.92 1.01 0.42 -0.74 120.40 129.56 1ukv s VAL 87 Ca 0.19 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1ukv s VAL 87 Cb -0.15 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1ukv s VAL 87 CO 0.09 0.54 0.10 -0.72 0.00 0.00 0.00 175.10 175.12 1ukv s TYR 88 N -0.80 1.70 -0.24 5.22 -0.85 -0.33 -4.06 117.35 117.99 1ukv s TYR 88 Ca 0.13 -1.18 -0.06 0.00 -0.52 0.00 0.00 57.07 55.44 1ukv s TYR 88 Cb -0.11 -1.03 -0.02 0.00 0.38 0.00 0.00 41.96 41.18 1ukv s TYR 88 CO 0.02 -0.28 0.03 0.34 -1.52 0.00 0.00 175.55 174.14 1ukv s ASP 89 N -3.42 4.83 0.33 -0.18 -1.08 -1.26 -0.39 116.67 115.50 1ukv s ASP 89 Ca 0.35 -0.30 0.22 0.00 -0.52 0.00 0.00 52.55 52.30 1ukv s ASP 89 Cb 0.07 -1.85 1.21 0.00 -1.46 0.00 0.00 42.92 40.88 1ukv s ASP 89 CO 0.15 -0.04 1.68 1.33 0.52 0.00 0.00 175.17 178.81 1ukv n VAL 90 N 4.88 1.00 0.88 1.11 0.24 -0.37 -0.87 118.33 125.21 1ukv n VAL 90 Ca -0.17 0.75 0.12 0.00 -2.04 0.00 0.00 64.34 63.00 1ukv n VAL 90 Cb 0.51 -1.75 0.23 0.00 -1.47 0.00 0.00 33.84 31.36 1ukv n VAL 90 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ukv n THR 91 N -2.28 0.18 -3.89 3.34 -2.24 -1.26 -1.10 114.28 107.03 1ukv n THR 91 Ca -0.01 -0.52 -0.30 0.00 -2.27 0.00 0.00 64.05 60.94 1ukv n THR 91 Cb 0.04 1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 69.19 1ukv n THR 91 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ukv s ASP 92 N -1.79 4.32 0.22 3.42 -1.08 -0.05 -4.64 116.67 117.06 1ukv s ASP 92 Ca 0.33 -1.79 -0.08 0.00 -0.52 0.00 0.00 52.55 50.49 1ukv s ASP 92 Cb 0.21 -1.24 0.27 0.00 -1.46 0.00 0.00 42.92 40.70 1ukv s ASP 92 CO 0.31 -0.37 1.82 -0.61 0.52 0.00 0.00 175.17 176.84 1ukv h GLN 93 N 7.87 0.77 -0.55 4.34 5.75 -1.87 -2.27 115.11 129.14 1ukv h GLN 93 Ca -0.10 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1ukv h GLN 93 Cb 1.03 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.38 1ukv h GLN 93 CO 0.48 0.51 0.33 1.49 -2.65 0.00 0.00 178.83 179.00 1ukv h GLU 94 N 0.79 0.74 -0.18 1.69 4.57 -1.94 -0.19 114.58 120.05 1ukv h GLU 94 Ca 0.32 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.38 1ukv h GLU 94 Cb 0.17 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1ukv h GLU 94 CO -0.18 0.52 -0.19 0.66 -1.18 0.00 0.00 179.01 178.64 1ukv h SER 95 N 0.75 0.30 -0.18 1.04 4.64 -1.73 0.88 113.55 119.26 1ukv h SER 95 Ca 0.20 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 1ukv h SER 95 Cb -0.04 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1ukv h SER 95 CO -0.04 0.52 -0.38 0.15 -0.87 0.00 0.00 176.83 176.21 1ukv h PHE 96 N 0.29 0.73 -0.54 4.77 3.57 -1.11 -3.00 116.94 121.63 1ukv h PHE 96 Ca 0.05 -0.27 0.06 0.00 3.53 0.00 0.00 57.97 61.35 1ukv h PHE 96 Cb 0.51 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1ukv h PHE 96 CO 0.01 1.02 0.36 -0.91 -2.23 0.00 0.00 178.31 176.56 1ukv h ASN 97 N 0.23 0.42 0.50 0.41 2.35 -0.53 -1.27 115.58 117.68 1ukv h ASN 97 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ukv h ASN 97 Cb 0.99 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.27 1ukv h ASN 97 CO 0.08 0.27 -0.01 1.23 -1.65 0.00 0.00 177.43 177.35 1ukv h GLY 98 N 0.48 0.00 1.19 2.83 0.00 -0.70 -2.88 103.07 104.00 1ukv h GLY 98 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.62 1ukv h GLY 98 CO -0.06 0.00 0.42 -2.08 0.00 0.00 0.00 176.54 174.82 1ukv h VAL 99 N 0.00 1.04 -0.43 4.60 2.07 -1.24 -1.78 116.25 120.51 1ukv h VAL 99 Ca -0.00 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1ukv h VAL 99 Cb 0.27 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1ukv h VAL 99 CO 0.00 0.13 0.22 0.50 0.02 0.00 0.00 177.57 178.43 1ukv h LYS 100 N 0.69 0.42 -0.42 1.57 3.64 -1.70 -0.09 116.57 120.69 1ukv h LYS 100 Ca 0.27 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1ukv h LYS 100 Cb 0.18 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1ukv h LYS 100 CO -0.08 0.28 0.18 1.98 -2.27 0.00 0.00 179.45 179.54 1ukv h MET 101 N 0.43 0.62 -0.73 1.90 4.05 -1.53 -2.19 114.93 117.47 1ukv h MET 101 Ca 0.18 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1ukv h MET 101 Cb 0.09 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.75 1ukv h MET 101 CO -0.13 0.56 0.42 -1.49 0.23 0.00 0.00 176.91 176.50 1ukv h TRP 102 N 0.54 0.98 -0.58 1.39 4.06 -0.93 -1.06 115.95 120.34 1ukv h TRP 102 Ca 0.14 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.05 1ukv h TRP 102 Cb 0.16 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 27.97 1ukv h TRP 102 CO -0.01 0.67 0.22 -0.07 -3.56 0.00 0.00 178.44 175.69 1ukv h LEU 103 N 1.02 0.78 -0.78 -4.49 3.38 -0.69 -1.10 115.31 113.43 1ukv h LEU 103 Ca 0.26 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1ukv h LEU 103 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1ukv h LEU 103 CO -0.05 0.71 0.02 1.56 0.09 0.00 0.00 178.44 180.77 1ukv h GLN 104 N 0.84 0.95 -0.47 1.13 4.20 -0.69 -1.27 115.11 119.81 1ukv h GLN 104 Ca 0.20 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1ukv h GLN 104 Cb 0.19 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1ukv h GLN 104 CO -0.02 0.92 0.11 0.93 -0.67 0.00 0.00 178.83 180.11 1ukv h GLU 105 N 0.88 0.75 -0.66 1.46 4.39 -0.69 -1.78 114.58 118.92 1ukv h GLU 105 Ca 0.17 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1ukv h GLU 105 Cb 0.49 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1ukv h GLU 105 CO 0.02 0.74 0.33 0.82 -1.16 0.00 0.00 179.01 179.76 1ukv h ILE 106 N 0.63 1.22 -0.80 3.13 2.04 -1.01 -0.80 117.51 121.92 1ukv h ILE 106 Ca 0.15 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.44 1ukv h ILE 106 Cb 0.32 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1ukv h ILE 106 CO 0.00 0.25 0.53 0.44 0.00 0.00 0.00 178.15 179.37 1ukv h ASP 107 N 0.91 0.86 -0.04 1.72 3.45 -0.99 0.38 116.42 122.71 1ukv h ASP 107 Ca 0.23 -0.01 -0.18 0.00 0.43 0.00 0.00 57.03 57.49 1ukv h ASP 107 Cb 0.09 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1ukv h ASP 107 CO -0.03 0.60 -0.69 -0.09 -1.57 0.00 0.00 179.24 177.46 1ukv h ARG 108 N 1.00 0.53 0.00 3.56 2.43 -0.74 -3.40 114.38 117.75 1ukv h ARG 108 Ca 0.31 -0.52 -0.25 0.00 -0.81 0.00 0.00 59.98 58.71 1ukv h ARG 108 Cb 0.01 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1ukv h ARG 108 CO -0.09 1.15 -2.07 0.66 -1.51 0.00 0.00 179.97 178.12 1ukv n TYR 109 N -4.12 0.00 -2.61 2.20 0.53 -0.36 -5.01 117.16 107.79 1ukv n TYR 109 Ca -0.10 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.56 1ukv n TYR 109 Cb 0.71 -0.74 0.04 0.00 -1.03 0.00 0.00 39.34 38.32 1ukv n TYR 109 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1ukv s ALA 110 N -2.54 3.72 0.66 -0.72 0.00 0.11 -4.82 121.76 118.16 1ukv s ALA 110 Ca -0.08 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.53 1ukv s ALA 110 Cb 0.06 -2.20 -0.00 0.00 0.00 0.00 0.00 23.12 20.98 1ukv s ALA 110 CO 0.68 -0.79 1.19 0.95 0.00 0.00 0.00 175.76 177.80 1ukv s THR 111 N -2.82 2.61 0.26 0.00 -4.23 -1.26 -4.81 115.64 105.38 1ukv s THR 111 Ca 0.56 0.33 0.37 0.00 -1.18 0.00 0.00 61.69 61.77 1ukv s THR 111 Cb -0.10 -2.98 0.40 0.00 1.34 0.00 0.00 72.50 71.15 1ukv s THR 111 CO 0.40 -0.13 2.10 0.77 -0.54 0.00 0.00 174.62 177.21 1ukv h SER 112 N 0.29 0.00 -0.38 3.99 4.64 -1.93 -2.51 113.55 117.66 1ukv h SER 112 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1ukv h SER 112 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ukv h SER 112 CO 0.53 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.84 1ukv n THR 113 N -2.99 0.49 -1.86 2.95 -2.24 -1.26 -4.97 114.28 104.40 1ukv n THR 113 Ca -0.01 -0.65 -0.40 0.00 -2.27 0.00 0.00 64.05 60.73 1ukv n THR 113 Cb 0.20 0.69 0.01 0.00 -2.10 0.00 0.00 70.33 69.13 1ukv n THR 113 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ukv s VAL 114 N -1.51 2.21 0.29 2.28 0.11 -0.95 -4.99 120.40 117.84 1ukv s VAL 114 Ca 0.37 0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 59.45 1ukv s VAL 114 Cb 0.21 -3.11 -0.09 0.00 -1.53 0.00 0.00 36.38 31.86 1ukv s VAL 114 CO 0.29 0.03 0.71 -0.76 -3.33 0.00 0.00 175.10 172.04 1ukv s LEU 115 N -2.60 4.12 0.04 2.54 2.01 -0.72 -4.96 118.68 119.10 1ukv s LEU 115 Ca 0.59 1.26 0.04 0.00 0.01 0.00 0.00 54.13 56.03 1ukv s LEU 115 Cb -0.42 -3.95 -0.02 0.00 0.01 0.00 0.00 46.19 41.81 1ukv s LEU 115 CO 0.55 -0.15 -0.11 -0.54 1.01 0.00 0.00 176.35 177.11 1ukv s LYS 116 N -2.78 0.74 -0.01 1.70 1.02 -1.26 -0.46 119.74 118.68 1ukv s LYS 116 Ca 0.51 -0.69 0.01 0.00 0.02 0.00 0.00 55.97 55.82 1ukv s LYS 116 Cb -0.11 -0.68 0.01 0.00 -0.52 0.00 0.00 37.83 36.53 1ukv s LYS 116 CO 0.18 0.16 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.58 1ukv s LEU 117 N -1.16 1.71 -0.20 3.17 2.96 -0.78 -4.13 118.68 120.24 1ukv s LEU 117 Ca -0.02 -0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 1ukv s LEU 117 Cb -0.08 -0.22 -0.05 0.00 0.50 0.00 0.00 46.19 46.34 1ukv s LEU 117 CO 0.01 -0.00 0.15 -0.22 -1.32 0.00 0.00 176.35 174.97 1ukv s LEU 118 N 0.31 4.20 -0.12 -0.68 2.96 -0.44 -0.88 118.68 124.01 1ukv s LEU 118 Ca -0.03 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1ukv s LEU 118 Cb -0.06 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1ukv s LEU 118 CO -0.01 0.15 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.31 1ukv s VAL 119 N 0.49 1.70 -0.42 1.68 1.01 0.08 -1.77 120.40 123.17 1ukv s VAL 119 Ca 0.09 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1ukv s VAL 119 Cb -0.12 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.77 1ukv s VAL 119 CO -0.00 0.48 0.29 -0.83 0.00 0.00 0.00 175.10 175.04 1ukv s GLY 120 N 0.99 1.99 0.59 4.51 0.00 -0.36 -1.19 107.32 113.85 1ukv s GLY 120 Ca -0.05 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 42.83 1ukv s GLY 120 CO -0.03 0.93 0.82 0.21 0.00 0.00 0.00 173.10 175.03 1ukv s ASN 121 N 1.89 5.08 -0.95 1.64 2.47 0.47 -0.49 114.94 125.06 1ukv s ASN 121 Ca 0.04 -0.12 -0.01 0.00 0.42 0.00 0.00 52.86 53.18 1ukv s ASN 121 Cb -0.21 -0.65 0.00 0.00 -1.45 0.00 0.00 41.25 38.95 1ukv s ASN 121 CO 0.08 -1.30 0.17 0.29 -3.72 0.00 0.00 177.10 172.62 1ukv n LYS 122 N -2.44 -1.86 0.00 0.43 5.02 -0.46 -1.23 118.16 117.63 1ukv n LYS 122 Ca 0.10 0.55 0.04 0.00 -2.02 0.00 0.00 58.31 56.97 1ukv n LYS 122 Cb 0.60 -4.65 0.19 0.00 -0.02 0.00 0.00 35.03 31.15 1ukv n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ukv h ASP 124 N 0.00 0.00 -0.60 0.00 2.03 -1.92 -3.35 116.42 112.59 1ukv h ASP 124 Ca 0.00 0.00 -0.73 0.00 -0.73 0.00 0.00 57.03 55.57 1ukv h ASP 124 Cb 0.10 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.51 1ukv h ASP 124 CO 0.00 0.02 2.69 0.18 -1.03 0.00 0.00 179.24 181.10 1ukv n LEU 125 N -3.11 6.90 -0.27 0.15 4.77 -0.64 -4.77 117.00 120.03 1ukv n LEU 125 Ca 0.02 -4.38 -0.01 0.00 -0.03 0.00 0.00 56.01 51.61 1ukv n LEU 125 Cb 0.41 -1.57 0.19 0.00 -2.33 0.00 0.00 43.42 40.11 1ukv n LEU 125 CO 0.30 1.29 1.23 0.11 -1.33 0.00 0.00 177.39 178.99 1ukv h LYS 126 N 5.81 1.10 -0.06 3.23 1.57 -1.85 -2.35 116.57 124.02 1ukv h LYS 126 Ca 0.51 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 59.10 1ukv h LYS 126 Cb 0.61 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ukv h LYS 126 CO 1.77 0.75 -0.44 -0.44 -0.57 0.00 0.00 179.45 180.52 1ukv h ASP 127 N 1.12 0.15 -0.22 0.86 3.32 -1.96 -3.19 116.42 116.51 1ukv h ASP 127 Ca 0.30 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1ukv h ASP 127 Cb -0.08 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1ukv h ASP 127 CO -0.06 0.58 0.00 0.29 -1.72 0.00 0.00 179.24 178.33 1ukv n LYS 128 N -4.00 2.20 -1.73 3.56 4.01 -0.92 -4.96 118.16 116.31 1ukv n LYS 128 Ca -0.02 -1.79 -0.42 0.00 -0.51 0.00 0.00 58.31 55.57 1ukv n LYS 128 Cb 0.49 -1.47 -0.02 0.00 -0.51 0.00 0.00 35.03 33.52 1ukv n LYS 128 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1ukv n ARG 129 N 1.05 2.65 0.00 1.97 0.63 -0.97 -4.40 116.66 117.60 1ukv n ARG 129 Ca 0.17 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 58.05 1ukv n ARG 129 Cb 0.51 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.69 1ukv n ARG 129 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1ukv n VAL 130 N 2.51 0.00 -3.12 5.15 0.24 -0.26 -4.95 118.33 117.90 1ukv n VAL 130 Ca 0.10 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.97 1ukv n VAL 130 Cb 0.36 0.07 -0.07 0.00 -1.47 0.00 0.00 33.84 32.73 1ukv n VAL 130 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ukv s VAL 131 N -1.51 4.83 0.35 3.34 1.01 -0.69 -4.99 120.40 122.76 1ukv s VAL 131 Ca 0.00 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 1ukv s VAL 131 Cb 0.00 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1ukv s VAL 131 CO 0.00 -0.61 1.24 -1.61 0.00 0.00 0.00 175.10 174.12 1ukv s GLU 132 N 2.80 4.26 0.17 2.72 0.41 -1.26 -4.91 118.70 122.88 1ukv s GLU 132 Ca 0.22 2.04 -0.16 0.00 -0.41 0.00 0.00 54.97 56.66 1ukv s GLU 132 Cb -0.14 -2.93 0.11 0.00 -1.78 0.00 0.00 34.13 29.38 1ukv s GLU 132 CO 0.19 -0.21 1.69 -0.92 -0.49 0.00 0.00 175.26 175.51 1ukv h TYR 133 N 3.14 -0.08 -0.82 1.61 3.20 -1.99 -1.96 116.97 120.06 1ukv h TYR 133 Ca -0.49 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.44 1ukv h TYR 133 Cb 1.23 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.55 1ukv h TYR 133 CO 0.56 -0.11 0.54 -0.44 -1.64 0.00 0.00 178.16 177.07 1ukv h ASP 134 N 0.07 0.90 -0.24 -2.11 3.32 -1.99 0.47 116.42 116.84 1ukv h ASP 134 Ca 0.20 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1ukv h ASP 134 Cb 0.29 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1ukv h ASP 134 CO -0.36 0.63 -0.03 0.58 -1.72 0.00 0.00 179.24 178.33 1ukv h VAL 135 N 1.05 1.27 -0.55 -1.35 2.07 -1.79 -1.24 116.25 115.71 1ukv h VAL 135 Ca 0.32 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 1ukv h VAL 135 Cb -0.01 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1ukv h VAL 135 CO -0.09 0.31 0.05 0.00 0.02 0.00 0.00 177.57 177.86 1ukv h ALA 136 N 0.78 1.05 -0.55 1.67 0.00 -0.91 -1.86 119.26 119.43 1ukv h ALA 136 Ca 0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1ukv h ALA 136 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ukv h ALA 136 CO 0.02 0.60 0.13 -0.22 0.00 0.00 0.00 179.25 179.78 1ukv h LYS 137 N 0.84 0.89 -0.66 0.00 1.63 -0.81 0.12 116.57 118.59 1ukv h LYS 137 Ca 0.17 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1ukv h LYS 137 Cb 0.44 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1ukv h LYS 137 CO 0.02 0.84 0.30 1.49 -3.45 0.00 0.00 179.45 178.65 1ukv h GLU 138 N 0.79 0.96 -0.53 1.90 4.81 -1.05 -0.96 114.58 120.50 1ukv h GLU 138 Ca 0.17 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1ukv h GLU 138 Cb 0.36 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1ukv h GLU 138 CO 0.00 0.77 0.14 0.35 -0.73 0.00 0.00 179.01 179.55 1ukv h PHE 139 N 0.91 0.87 -0.42 0.92 3.57 -1.04 -1.39 116.94 120.36 1ukv h PHE 139 Ca 0.22 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ukv h PHE 139 Cb 0.15 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1ukv h PHE 139 CO 0.01 0.76 0.23 0.00 -2.23 0.00 0.00 178.31 177.08 1ukv h ALA 140 N 1.01 0.54 -0.94 2.41 0.00 -0.63 -2.02 119.26 119.64 1ukv h ALA 140 Ca 0.17 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ukv h ALA 140 Cb 0.32 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1ukv h ALA 140 CO -0.00 0.06 0.61 -0.44 0.00 0.00 0.00 179.25 179.48 1ukv h ASP 141 N 0.55 1.01 0.76 0.00 3.45 -1.01 -0.87 116.42 120.30 1ukv h ASP 141 Ca 0.15 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1ukv h ASP 141 Cb 0.05 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.59 1ukv h ASP 141 CO -0.02 0.69 0.00 0.00 -1.57 0.00 0.00 179.24 178.33 1ukv h ALA 142 N 1.39 1.00 -0.25 3.45 0.00 -0.72 -2.71 119.26 121.42 1ukv h ALA 142 Ca 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1ukv h ALA 142 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1ukv h ALA 142 CO -0.12 0.00 -0.04 0.09 0.00 0.00 0.00 179.25 179.18 1ukv n ASN 143 N -2.90 3.11 -3.84 0.00 3.02 -0.44 -4.99 115.26 109.23 1ukv n ASN 143 Ca 0.00 -3.32 -0.28 0.00 -0.03 0.00 0.00 54.58 50.95 1ukv n ASN 143 Cb 0.24 -0.56 0.04 0.00 -0.61 0.00 0.00 39.78 38.89 1ukv n ASN 143 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1ukv n LYS 144 N -0.88 -5.93 -3.96 3.52 2.85 -0.82 -5.00 118.16 107.94 1ukv n LYS 144 Ca 0.25 0.64 -0.09 0.00 -1.05 0.00 0.00 58.31 58.05 1ukv n LYS 144 Cb 0.90 -5.54 -0.11 0.00 -0.65 0.00 0.00 35.03 29.63 1ukv n LYS 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ukv s MET 145 N -6.51 0.30 0.94 -1.58 0.23 -0.59 -4.84 119.30 107.25 1ukv s MET 145 Ca 0.59 -0.53 -0.12 0.00 -1.03 0.00 0.00 55.69 54.60 1ukv s MET 145 Cb -0.29 0.11 0.15 0.00 -1.53 0.00 0.00 34.83 33.27 1ukv s MET 145 CO 0.81 -0.05 1.09 -2.14 -2.03 0.00 0.00 175.02 172.70 1ukv s PRO 146 N -1.32 0.93 -0.03 3.16 0.02 -1.26 -4.02 135.00 132.48 1ukv s PRO 146 Ca -0.14 0.83 -0.02 0.00 0.02 0.00 0.00 61.00 61.68 1ukv s PRO 146 Cb -0.09 -1.77 0.02 0.00 0.02 0.00 0.00 34.50 32.68 1ukv s PRO 146 CO -0.01 -2.47 0.07 0.12 -0.33 0.00 0.00 177.00 174.39 1ukv s PHE 147 N -2.88 -0.07 -0.00 6.54 5.36 -1.26 -1.33 117.98 124.34 1ukv s PHE 147 Ca 0.64 0.22 -0.01 0.00 -0.96 0.00 0.00 56.93 56.82 1ukv s PHE 147 Cb -0.19 -0.05 -0.00 0.00 -0.34 0.00 0.00 43.02 42.44 1ukv s PHE 147 CO 0.58 -0.07 0.02 -0.51 -1.46 0.00 0.00 175.22 173.78 1ukv s LEU 148 N 0.44 1.96 -0.17 6.12 1.43 -0.73 -5.00 118.68 122.73 1ukv s LEU 148 Ca -0.03 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 1ukv s LEU 148 Cb -0.05 0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.30 1ukv s LEU 148 CO -0.02 -0.15 0.07 -1.61 0.23 0.00 0.00 176.35 174.87 1ukv s GLU 149 N -0.62 3.87 0.30 1.70 2.02 -1.26 -1.22 118.70 123.49 1ukv s GLU 149 Ca -0.07 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 54.65 1ukv s GLU 149 Cb -0.04 -3.19 -0.06 0.00 0.10 0.00 0.00 34.13 30.94 1ukv s GLU 149 CO -0.00 0.35 0.00 0.95 0.02 0.00 0.00 175.26 176.58 1ukv s THR 150 N 0.15 1.41 -0.18 3.63 -4.23 0.36 -4.57 115.64 112.20 1ukv s THR 150 Ca 0.05 -2.05 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1ukv s THR 150 Cb -0.12 -2.62 0.06 0.00 1.34 0.00 0.00 72.50 71.16 1ukv s THR 150 CO 0.00 -0.16 0.09 -0.55 -0.54 0.00 0.00 174.62 173.47 1ukv s SER 151 N -3.47 2.47 0.43 3.99 0.15 -0.37 -1.32 113.70 115.58 1ukv s SER 151 Ca 0.33 -0.68 0.12 0.00 0.70 0.00 0.00 55.95 56.41 1ukv s SER 151 Cb 0.07 -0.25 0.92 0.00 -1.71 0.00 0.00 66.02 65.04 1ukv s SER 151 CO 0.13 -0.36 1.97 0.00 1.20 0.00 0.00 173.24 176.19 1ukv h ALA 152 N 8.42 1.64 0.05 5.45 0.00 -1.90 0.13 119.26 133.05 1ukv h ALA 152 Ca -0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ukv h ALA 152 Cb 1.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ukv h ALA 152 CO 0.31 0.27 -0.02 1.25 0.00 0.00 0.00 179.25 181.05 1ukv h LEU 153 N 0.12 -0.06 -2.29 0.00 6.46 -1.94 -3.29 115.31 114.32 1ukv h LEU 153 Ca 0.02 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1ukv h LEU 153 Cb 0.31 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1ukv h LEU 153 CO 0.02 0.08 0.00 -0.90 -0.62 0.00 0.00 178.44 177.02 1ukv n ASP 154 N -5.06 2.82 0.00 1.25 5.68 -1.20 -4.95 116.55 115.09 1ukv n ASP 154 Ca -0.08 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1ukv n ASP 154 Cb 0.11 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1ukv n ASP 154 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1ukv n SER 155 N 0.86 0.00 -4.71 -1.12 3.41 0.44 -5.01 113.62 107.49 1ukv n SER 155 Ca 0.13 0.00 -0.58 0.00 -0.26 0.00 0.00 58.87 58.15 1ukv n SER 155 Cb 0.44 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 1ukv n SER 155 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ukv n THR 156 N -2.00 0.26 -0.95 6.66 -1.04 -1.10 -1.72 114.28 114.38 1ukv n THR 156 Ca 0.00 -0.05 -0.03 0.00 -2.04 0.00 0.00 64.05 61.94 1ukv n THR 156 Cb 0.00 -1.12 -0.01 0.00 -1.82 0.00 0.00 70.33 67.38 1ukv n THR 156 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ukv n ASN 157 N 5.05 -4.99 0.06 8.00 3.02 -1.26 -1.24 115.26 123.90 1ukv n ASN 157 Ca 0.26 0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.76 1ukv n ASN 157 Cb 0.11 -3.21 -0.09 0.00 -0.61 0.00 0.00 39.78 35.98 1ukv n ASN 157 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1ukv h VAL 158 N 0.00 1.04 -0.68 2.41 2.07 -1.63 0.10 116.25 119.56 1ukv h VAL 158 Ca -0.06 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1ukv h VAL 158 Cb 0.89 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1ukv h VAL 158 CO 0.09 0.19 0.35 -0.08 0.02 0.00 0.00 177.57 178.13 1ukv h GLU 159 N -0.55 0.97 0.00 1.57 4.81 -1.90 -2.40 114.58 117.09 1ukv h GLU 159 Ca -0.02 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1ukv h GLU 159 Cb 0.43 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ukv h GLU 159 CO 0.03 0.75 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.48 1ukv h ASP 160 N 0.94 0.00 -0.22 1.04 3.45 -1.91 -0.87 116.42 118.85 1ukv h ASP 160 Ca 0.24 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.66 1ukv h ASP 160 Cb 0.08 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1ukv h ASP 160 CO -0.03 0.13 -0.00 0.00 -1.57 0.00 0.00 179.24 177.77 1ukv h ALA 161 N 1.87 0.30 -0.36 3.45 0.00 -0.45 0.87 119.26 124.94 1ukv h ALA 161 Ca -0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1ukv h ALA 161 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ukv h ALA 161 CO 0.02 0.03 -0.36 0.74 0.00 0.00 0.00 179.25 179.68 1ukv h PHE 162 N 0.16 0.98 -0.19 0.00 -1.00 -1.32 -2.38 116.94 113.19 1ukv h PHE 162 Ca 0.06 -0.28 -0.11 0.00 2.81 0.00 0.00 57.97 60.46 1ukv h PHE 162 Cb 0.41 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1ukv h PHE 162 CO 0.04 1.06 -0.34 -0.07 -1.61 0.00 0.00 178.31 177.38 1ukv h LEU 163 N 0.68 0.41 -0.67 1.54 3.38 -1.12 -1.04 115.31 118.50 1ukv h LEU 163 Ca 0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1ukv h LEU 163 Cb 0.92 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1ukv h LEU 163 CO 0.08 0.73 0.31 0.74 0.09 0.00 0.00 178.44 180.39 1ukv h THR 164 N 0.34 1.23 -0.39 0.22 2.02 -0.67 -0.60 112.91 115.06 1ukv h THR 164 Ca 0.04 -0.65 -0.13 0.00 0.77 0.00 0.00 66.41 66.43 1ukv h THR 164 Cb 0.77 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1ukv h THR 164 CO 0.06 0.27 -0.28 -0.03 0.37 0.00 0.00 175.52 175.91 1ukv h MET 165 N 0.93 0.88 -0.98 6.66 1.85 -1.09 -0.79 114.93 122.38 1ukv h MET 165 Ca 0.23 -0.42 0.02 0.00 -0.61 0.00 0.00 59.70 58.92 1ukv h MET 165 Cb 0.13 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.11 1ukv h MET 165 CO -0.03 1.07 0.65 0.00 -0.40 0.00 0.00 176.91 178.20 1ukv h ALA 166 N 0.79 1.33 -0.29 0.39 0.00 -0.89 -1.98 119.26 118.61 1ukv h ALA 166 Ca 0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1ukv h ALA 166 Cb 0.85 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ukv h ALA 166 CO 0.07 0.60 -0.43 0.00 0.00 0.00 0.00 179.25 179.49 1ukv h ARG 167 N 1.29 0.74 -0.54 0.00 3.08 -0.90 -1.74 114.38 116.31 1ukv h ARG 167 Ca 0.37 -0.41 0.06 0.00 0.07 0.00 0.00 59.98 60.08 1ukv h ARG 167 Cb -0.08 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1ukv h ARG 167 CO -0.10 1.03 0.25 1.96 -1.07 0.00 0.00 179.97 182.04 1ukv h GLN 168 N 0.60 0.46 0.13 0.04 4.20 -0.63 -0.10 115.11 119.81 1ukv h GLN 168 Ca 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1ukv h GLN 168 Cb 0.99 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1ukv h GLN 168 CO 0.09 0.30 -0.06 0.82 -0.67 0.00 0.00 178.83 179.32 1ukv h ILE 169 N 0.47 1.05 -0.95 2.54 2.04 -1.26 -1.97 117.51 119.44 1ukv h ILE 169 Ca 0.25 -0.90 0.08 0.00 1.00 0.00 0.00 64.86 65.29 1ukv h ILE 169 Cb 0.21 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.82 1ukv h ILE 169 CO -0.20 0.21 0.60 0.50 0.00 0.00 0.00 178.15 179.25 1ukv h LYS 170 N -0.61 1.01 0.00 2.37 3.64 -1.18 -1.67 116.57 120.13 1ukv h LYS 170 Ca -0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1ukv h LYS 170 Cb 0.47 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1ukv h LYS 170 CO 0.03 0.67 -0.53 0.93 -2.27 0.00 0.00 179.45 178.27 1ukv h GLU 171 N 1.04 0.00 0.00 1.90 5.08 -1.05 -3.37 114.58 118.18 1ukv h GLU 171 Ca 0.44 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.52 1ukv h GLU 171 Cb 0.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1ukv h GLU 171 CO -0.21 0.00 -2.23 0.45 -1.00 0.00 0.00 179.01 176.03 1ukv n SER 172 N -2.45 0.08 -4.75 1.42 2.88 -0.74 -4.99 113.62 105.07 1ukv n SER 172 Ca 0.03 0.04 -0.39 0.00 -1.33 0.00 0.00 58.87 57.22 1ukv n SER 172 Cb 0.48 1.13 0.04 0.00 -0.75 0.00 0.00 64.21 65.11 1ukv n SER 172 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1ukv s MET 173 N -2.74 3.27 0.92 -1.46 -1.94 -0.65 -5.00 119.30 111.69 1ukv s MET 173 Ca -0.09 2.30 -0.12 0.00 -1.71 0.00 0.00 55.69 56.08 1ukv s MET 173 Cb 0.08 -2.36 0.14 0.00 2.01 0.00 0.00 34.83 34.71 1ukv s MET 173 CO 0.85 -1.11 1.09 -1.54 -0.01 0.00 0.00 175.02 174.29 1ukv s SER 174 N -0.82 3.20 0.30 3.03 1.04 -1.26 -4.73 113.70 114.46 1ukv s SER 174 Ca 0.69 1.53 -0.00 0.00 0.48 0.00 0.00 55.95 58.65 1ukv s SER 174 Cb -0.42 -2.20 0.47 0.00 0.10 0.00 0.00 66.02 63.97 1ukv s SER 174 CO 0.51 -2.82 1.90 -0.61 0.98 0.00 0.00 173.24 173.20 1ukv h GLN 175 N -1.67 0.88 -0.21 4.02 5.75 -1.99 -0.93 115.11 120.96 1ukv h GLN 175 Ca -0.50 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 57.87 1ukv h GLN 175 Cb 1.29 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 1ukv h GLN 175 CO 0.53 0.69 0.07 0.37 -2.65 0.00 0.00 178.83 177.85 1ukv h GLN 176 N 0.88 0.31 -0.61 1.69 4.15 -1.99 -0.66 115.11 118.88 1ukv h GLN 176 Ca 0.21 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.49 1ukv h GLN 176 Cb 0.11 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1ukv h GLN 176 CO -0.03 0.40 0.05 -0.91 -1.93 0.00 0.00 178.83 176.41 1ukv h ASN 177 N 0.17 0.99 -0.66 -0.69 2.35 -1.84 -2.42 115.58 113.47 1ukv h ASN 177 Ca 0.07 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.48 1ukv h ASN 177 Cb 0.21 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1ukv h ASN 177 CO -0.00 1.01 0.09 0.25 -1.65 0.00 0.00 177.43 177.12 1ukv h LEU 178 N 0.95 1.07 -1.41 1.61 5.85 -1.07 -2.65 115.31 119.66 1ukv h LEU 178 Ca 0.18 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1ukv h LEU 178 Cb 0.48 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1ukv h LEU 178 CO 0.02 1.07 0.25 0.78 -0.34 0.00 0.00 178.44 180.22 1ukv h ASN 179 N 1.03 0.58 0.41 1.25 2.35 -0.84 -1.18 115.58 119.18 1ukv h ASN 179 Ca 0.20 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1ukv h ASN 179 Cb 0.47 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1ukv h ASN 179 CO 0.02 0.48 0.00 -0.33 -1.65 0.00 0.00 177.43 175.95 1ukv h GLU 180 N 0.66 0.00 -0.02 0.81 4.39 -1.07 -2.44 114.58 116.91 1ukv h GLU 180 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1ukv h GLU 180 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1ukv h GLU 180 CO -0.03 0.00 -0.23 0.25 -1.16 0.00 0.00 179.01 177.84 1ukv n THR 181 N -2.38 0.00 -1.97 1.13 -2.24 -0.45 -4.75 114.28 103.62 1ukv n THR 181 Ca 0.00 -0.35 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 1ukv n THR 181 Cb 0.15 1.24 0.02 0.00 -2.10 0.00 0.00 70.33 69.64 1ukv n THR 181 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ukv s THR 182 N -2.25 3.51 0.40 4.28 -4.23 -0.92 -0.83 115.64 115.60 1ukv s THR 182 Ca 0.24 0.74 0.09 0.00 -1.18 0.00 0.00 61.69 61.59 1ukv s THR 182 Cb 0.19 -3.26 0.30 0.00 1.34 0.00 0.00 72.50 71.08 1ukv s THR 182 CO 0.44 -0.39 1.98 -0.61 -0.54 0.00 0.00 174.62 175.49 1ukv h GLN 183 N 0.40 0.56 0.00 3.99 4.15 -1.75 -1.25 115.11 121.21 1ukv h GLN 183 Ca -0.47 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.90 1ukv h GLN 183 Cb 1.24 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.80 1ukv h GLN 183 CO 0.56 0.37 -0.07 -0.22 -1.93 0.00 0.00 178.83 177.54 1ukv h LYS 184 N 0.58 0.00 -0.64 1.69 3.64 -1.92 -2.55 116.57 117.36 1ukv h LYS 184 Ca 0.28 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.41 1ukv h LYS 184 Cb 0.35 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.02 1ukv h LYS 184 CO -0.09 0.07 0.24 1.63 -2.27 0.00 0.00 179.45 179.04 1ukv n LYS 185 N -4.32 2.78 -0.13 1.90 5.02 -0.48 -4.63 118.16 118.30 1ukv n LYS 185 Ca -0.03 -3.07 -0.11 0.00 -2.02 0.00 0.00 58.31 53.09 1ukv n LYS 185 Cb 0.15 -2.06 0.02 0.00 -0.02 0.00 0.00 35.03 33.12 1ukv n LYS 185 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1ukv h GLU 186 N 1.72 0.93 -6.47 1.97 4.81 -1.40 -3.42 114.58 112.73 1ukv h GLU 186 Ca 0.31 -0.42 -0.57 0.00 -0.13 0.00 0.00 59.36 58.56 1ukv h GLU 186 Cb 2.19 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 31.50 1ukv h GLU 186 CO 0.68 1.08 1.09 0.34 -0.73 0.00 0.00 179.01 181.46 1ukv s ASP 187 N -6.76 6.31 0.00 1.04 2.15 -1.26 -4.87 116.67 113.28 1ukv s ASP 187 Ca -0.11 0.96 0.18 0.00 0.43 0.00 0.00 52.55 54.01 1ukv s ASP 187 Cb 0.12 -2.54 0.49 0.00 -0.30 0.00 0.00 42.92 40.70 1ukv s ASP 187 CO 0.87 -1.43 1.41 0.29 -0.17 0.00 0.00 175.17 176.14 1ukv n LYS 188 N 8.03 2.19 -0.74 4.34 4.76 -1.26 -4.91 118.16 130.56 1ukv n LYS 188 Ca 0.17 -1.84 0.00 0.00 -2.87 0.00 0.00 58.31 53.77 1ukv n LYS 188 Cb 0.48 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1ukv n LYS 188 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ukv n GLY 189 N 1.33 0.57 3.95 0.72 0.00 -1.26 -5.06 105.19 105.44 1ukv n GLY 189 Ca 0.18 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1ukv n GLY 189 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ukv s ASN 190 N -2.46 5.97 0.22 1.61 0.02 -1.26 -5.09 114.94 113.94 1ukv s ASN 190 Ca 0.00 0.36 -0.05 0.00 -1.02 0.00 0.00 52.86 52.15 1ukv s ASN 190 Cb 0.00 -1.69 -0.06 0.00 0.02 0.00 0.00 41.25 39.52 1ukv s ASN 190 CO 0.00 -0.60 0.47 0.68 0.02 0.00 0.00 177.10 177.67 1ukv s VAL 191 N -2.51 5.08 -0.43 1.60 -7.23 -1.26 -5.05 120.40 110.59 1ukv s VAL 191 Ca 0.46 0.07 -0.15 0.00 -1.81 0.00 0.00 61.98 60.55 1ukv s VAL 191 Cb -0.10 -3.67 0.03 0.00 0.56 0.00 0.00 36.38 33.20 1ukv s VAL 191 CO 0.38 -0.13 0.32 0.21 -0.31 0.00 0.00 175.10 175.57 1ukv s ASN 192 N -2.77 6.12 0.34 4.85 2.47 -1.26 -4.96 114.94 119.73 1ukv s ASN 192 Ca 0.43 -1.01 0.24 0.00 0.42 0.00 0.00 52.86 52.94 1ukv s ASN 192 Cb -0.11 -2.16 1.24 0.00 -1.45 0.00 0.00 41.25 38.76 1ukv s ASN 192 CO 0.26 -0.50 1.74 -0.07 -3.72 0.00 0.00 177.10 174.81 1ukv h LEU 193 N 8.66 0.00 -0.56 3.21 4.07 -2.03 -2.11 115.31 126.54 1ukv h LEU 193 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 1ukv h LEU 193 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1ukv h LEU 193 CO 0.77 0.00 -0.66 0.29 -1.08 0.00 0.00 178.44 177.76 1ukv n LYS 194 N -2.34 0.69 -1.28 1.13 5.02 -1.26 -5.00 118.16 115.12 1ukv n LYS 194 Ca -0.01 -0.56 -0.31 0.00 -2.02 0.00 0.00 58.31 55.41 1ukv n LYS 194 Cb 0.09 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.70 1ukv n LYS 194 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ukv s GLY 195 N -2.69 1.72 0.40 0.72 0.00 -0.80 -5.00 107.32 101.68 1ukv s GLY 195 Ca 0.15 0.31 -0.25 0.00 0.00 0.00 0.00 44.72 44.92 1ukv s GLY 195 CO 0.69 0.66 1.16 1.20 0.00 0.00 0.00 173.10 176.80 1ukv s GLN 196 N -4.82 4.04 0.96 2.90 -1.52 -1.26 -5.00 119.66 114.96 1ukv s GLN 196 Ca 0.62 1.80 -0.12 0.00 -1.95 0.00 0.00 55.36 55.71 1ukv s GLN 196 Cb -0.18 -2.64 0.10 0.00 -0.22 0.00 0.00 33.01 30.07 1ukv s GLN 196 CO 0.55 -0.32 0.70 0.43 -0.25 0.00 0.00 175.29 176.40 1ukv n SER 197 N 0.01 -1.16 -0.01 5.90 7.64 -1.26 -5.17 113.62 119.58 1ukv n SER 197 Ca 0.05 0.31 0.11 0.00 1.01 0.00 0.00 58.87 60.34 1ukv n SER 197 Cb 0.47 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 1ukv n SER 197 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ukv n LEU 198 N -2.69 0.91 0.00 -3.43 4.77 -1.26 -5.30 117.00 110.00 1ukv n LEU 198 Ca 0.08 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1ukv n LEU 198 Cb 0.54 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1ukv n LEU 198 CO 0.50 0.22 0.00 0.00 -1.33 0.00 0.00 177.39 176.79