#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugx s LYS 2 N 0.00 3.91 0.52 1.61 2.20 0.31 -4.77 119.74 123.51 1ugx s LYS 2 Ca 0.00 0.16 -0.20 0.00 -0.36 0.00 0.00 55.97 55.57 1ugx s LYS 2 Cb 0.00 -3.71 -0.07 0.00 -1.51 0.00 0.00 37.83 32.54 1ugx s LYS 2 CO 0.00 -0.46 1.09 0.00 -0.36 0.00 0.00 175.35 175.62 1ugx s ALA 3 N 2.36 2.78 0.05 3.13 0.00 -1.26 -2.10 121.76 126.72 1ugx s ALA 3 Ca 0.21 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 1ugx s ALA 3 Cb -0.15 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1ugx s ALA 3 CO 0.11 -0.57 0.00 -0.59 0.00 0.00 0.00 175.76 174.71 1ugx s PHE 4 N -1.85 0.41 -0.28 0.00 -0.71 0.43 -4.94 117.98 111.04 1ugx s PHE 4 Ca 0.70 -0.88 0.02 0.00 -1.04 0.00 0.00 56.93 55.73 1ugx s PHE 4 Cb -0.21 -0.30 0.17 0.00 -1.21 0.00 0.00 43.02 41.47 1ugx s PHE 4 CO 0.24 -0.36 0.45 0.34 -1.34 0.00 0.00 175.22 174.55 1ugx s ASP 5 N -2.58 -0.09 0.28 1.98 3.68 -1.26 -1.16 116.67 117.52 1ugx s ASP 5 Ca 0.02 -0.13 0.11 0.00 2.13 0.00 0.00 52.55 54.67 1ugx s ASP 5 Cb 0.04 1.33 0.39 0.00 -1.45 0.00 0.00 42.92 43.23 1ugx s ASP 5 CO -0.08 -0.33 1.63 0.44 0.13 0.00 0.00 175.17 176.96 1ugx h ASP 6 N 8.13 0.00 -3.53 -0.34 3.32 -1.67 -3.49 116.42 118.83 1ugx h ASP 6 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1ugx h ASP 6 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1ugx h ASP 6 CO 0.24 0.59 0.00 0.61 -1.72 0.00 0.00 179.24 178.96 1ugx n GLY 7 N 0.21 -1.81 3.74 2.75 0.00 -1.25 -4.96 105.19 103.86 1ugx n GLY 7 Ca -0.01 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 1ugx n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ugx s ALA 8 N -1.66 3.44 0.00 4.61 0.00 -1.26 -3.95 121.76 122.94 1ugx s ALA 8 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1ugx s ALA 8 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1ugx s ALA 8 CO 0.00 0.65 0.00 1.19 0.00 0.00 0.00 175.76 177.60 1ugx n PHE 9 N 1.56 0.00 0.24 0.00 3.01 0.51 -5.00 117.46 117.78 1ugx n PHE 9 Ca -0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.42 1ugx n PHE 9 Cb 0.53 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.96 1ugx n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ugx n THR 10 N 0.00 0.28 -2.60 4.37 -1.04 -0.53 -4.84 114.28 109.92 1ugx n THR 10 Ca 0.00 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1ugx n THR 10 Cb 0.00 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1ugx n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ugx n GLY 11 N 1.27 -1.40 3.11 3.41 0.00 -1.19 -4.92 105.19 105.48 1ugx n GLY 11 Ca -0.01 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 1ugx n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugx s ILE 12 N -2.77 1.46 -0.15 -0.61 1.01 -1.26 -1.45 121.20 117.41 1ugx s ILE 12 Ca 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1ugx s ILE 12 Cb 0.00 -1.28 -0.11 0.00 0.01 0.00 0.00 42.46 41.08 1ugx s ILE 12 CO 0.00 0.42 -0.11 0.54 0.00 0.00 0.00 174.94 175.80 1ugx n ARG 13 N 3.47 0.69 -3.64 2.79 1.74 -0.18 -4.79 116.66 116.74 1ugx n ARG 13 Ca -0.20 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 56.80 1ugx n ARG 13 Cb 0.52 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.57 1ugx n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ugx s GLU 14 N -2.32 0.82 -0.07 5.56 2.12 -0.76 -1.24 118.70 122.81 1ugx s GLU 14 Ca -0.19 0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.46 1ugx s GLU 14 Cb 0.05 0.38 0.01 0.00 0.26 0.00 0.00 34.13 34.83 1ugx s GLU 14 CO 0.40 -0.21 -0.15 0.42 -0.54 0.00 0.00 175.26 175.18 1ugx s ILE 15 N -0.77 1.37 -0.21 -3.70 1.01 -0.17 -0.30 121.20 118.43 1ugx s ILE 15 Ca -0.08 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1ugx s ILE 15 Cb -0.03 -1.22 0.04 0.00 0.01 0.00 0.00 42.46 41.26 1ugx s ILE 15 CO 0.05 0.41 -0.14 0.20 0.00 0.00 0.00 174.94 175.46 1ugx s ASN 16 N 0.51 3.54 0.18 3.58 0.01 0.40 -0.28 114.94 122.88 1ugx s ASN 16 Ca -0.14 -0.92 -0.00 0.00 -0.71 0.00 0.00 52.86 51.09 1ugx s ASN 16 Cb -0.16 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.07 1ugx s ASN 16 CO 0.05 -0.10 0.08 -1.48 -1.51 0.00 0.00 177.10 174.14 1ugx s LEU 17 N 1.29 1.55 0.08 0.60 0.05 -0.99 -0.61 118.68 120.65 1ugx s LEU 17 Ca -0.01 -1.30 0.04 0.00 0.05 0.00 0.00 54.13 52.91 1ugx s LEU 17 Cb -0.16 0.25 -0.03 0.00 -2.05 0.00 0.00 46.19 44.19 1ugx s LEU 17 CO -0.09 -0.75 -0.10 -0.94 -0.55 0.00 0.00 176.35 173.91 1ugx s SER 18 N -3.15 1.38 0.18 1.48 1.04 -0.74 -1.06 113.70 112.83 1ugx s SER 18 Ca 0.32 -0.74 -0.08 0.00 0.48 0.00 0.00 55.95 55.93 1ugx s SER 18 Cb 0.07 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1ugx s SER 18 CO 0.08 -0.23 0.28 -0.72 0.98 0.00 0.00 173.24 173.63 1ugx s TYR 19 N -2.12 0.53 -0.08 5.02 1.13 -0.25 -0.16 117.35 121.42 1ugx s TYR 19 Ca 0.02 -0.87 -0.01 0.00 -1.41 0.00 0.00 57.07 54.80 1ugx s TYR 19 Cb -0.05 -0.11 0.03 0.00 -1.10 0.00 0.00 41.96 40.72 1ugx s TYR 19 CO 0.00 -0.74 -0.04 1.21 -2.51 0.00 0.00 175.55 173.47 1ugx s ASN 20 N -3.01 1.76 0.00 -0.18 3.84 -0.89 0.24 114.94 116.71 1ugx s ASN 20 Ca 0.22 -0.19 0.06 0.00 0.21 0.00 0.00 52.86 53.16 1ugx s ASN 20 Cb 0.03 -0.62 0.35 0.00 -0.55 0.00 0.00 41.25 40.46 1ugx s ASN 20 CO 0.03 -0.14 0.95 2.29 -2.79 0.00 0.00 177.10 177.44 1ugx n LYS 21 N 4.89 0.14 -0.00 0.43 2.85 -1.26 -1.77 118.16 123.44 1ugx n LYS 21 Ca -0.12 0.12 0.06 0.00 -1.05 0.00 0.00 58.31 57.31 1ugx n LYS 21 Cb 0.50 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.30 1ugx n LYS 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ugx n GLU 22 N -1.14 1.29 0.00 -1.58 1.02 -1.26 -4.69 120.64 114.28 1ugx n GLU 22 Ca 0.04 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1ugx n GLU 22 Cb 0.04 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1ugx n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ugx n THR 23 N -1.69 0.00 -2.75 2.62 -2.24 -0.73 -5.06 114.28 104.43 1ugx n THR 23 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ugx n THR 23 Cb 0.26 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1ugx n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ugx n ALA 24 N -3.00 0.00 -1.76 6.98 0.00 -1.20 -4.60 120.51 116.93 1ugx n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1ugx n ALA 24 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ugx n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ugx s ILE 25 N -2.99 3.51 0.00 0.00 -1.09 -0.96 -2.10 121.20 117.57 1ugx s ILE 25 Ca 0.00 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1ugx s ILE 25 Cb 0.00 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1ugx s ILE 25 CO 0.00 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1ugx n GLY 26 N 1.07 0.42 3.80 6.18 0.00 0.77 -1.18 105.19 116.25 1ugx n GLY 26 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1ugx n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ugx s ASP 27 N 0.03 6.06 -0.13 1.61 1.01 -1.25 -4.29 116.67 119.71 1ugx s ASP 27 Ca 0.00 1.90 -0.06 0.00 0.71 0.00 0.00 52.55 55.09 1ugx s ASP 27 Cb 0.00 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.44 1ugx s ASP 27 CO 0.00 -0.98 0.30 0.12 0.21 0.00 0.00 175.17 174.82 1ugx s PHE 28 N -2.17 -0.44 -0.11 4.23 5.36 -0.20 -1.80 117.98 122.85 1ugx s PHE 28 Ca 0.66 0.98 -0.13 0.00 -0.96 0.00 0.00 56.93 57.49 1ugx s PHE 28 Cb -0.17 0.10 0.03 0.00 -0.34 0.00 0.00 43.02 42.64 1ugx s PHE 28 CO 0.28 -0.30 0.35 -1.14 -1.46 0.00 0.00 175.22 172.95 1ugx s GLN 29 N 1.61 0.45 -0.01 10.12 -0.44 0.22 -1.28 119.66 130.34 1ugx s GLN 29 Ca -0.07 0.39 0.04 0.00 -2.50 0.00 0.00 55.36 53.22 1ugx s GLN 29 Cb -0.10 0.22 -0.01 0.00 -1.64 0.00 0.00 33.01 31.47 1ugx s GLN 29 CO -0.10 -0.07 -0.13 0.08 0.50 0.00 0.00 175.29 175.57 1ugx s VAL 30 N -0.05 1.02 -0.36 1.34 1.01 -1.26 -0.45 120.40 121.64 1ugx s VAL 30 Ca -0.02 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1ugx s VAL 30 Cb -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1ugx s VAL 30 CO 0.01 0.29 0.21 -0.69 0.00 0.00 0.00 175.10 174.92 1ugx s VAL 31 N -0.29 4.73 0.54 2.92 1.01 0.59 -0.74 120.40 129.16 1ugx s VAL 31 Ca 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1ugx s VAL 31 Cb -0.05 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1ugx s VAL 31 CO -0.00 -0.16 0.76 -0.31 0.00 0.00 0.00 175.10 175.38 1ugx s TYR 32 N 1.60 2.83 -0.12 5.22 1.51 0.34 -1.01 117.35 127.71 1ugx s TYR 32 Ca 0.03 -0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 55.98 1ugx s TYR 32 Cb -0.19 -2.72 -0.04 0.00 -0.11 0.00 0.00 41.96 38.91 1ugx s TYR 32 CO 0.07 -0.85 0.08 0.34 -1.11 0.00 0.00 175.55 174.09 1ugx s ASP 33 N -4.43 5.88 -0.38 2.29 2.15 -0.53 -0.10 116.67 121.55 1ugx s ASP 33 Ca 0.57 0.30 0.01 0.00 0.43 0.00 0.00 52.55 53.86 1ugx s ASP 33 Cb -0.10 -1.84 0.12 0.00 -0.30 0.00 0.00 42.92 40.79 1ugx s ASP 33 CO 0.38 0.36 0.17 -0.22 -0.17 0.00 0.00 175.17 175.69 1ugx s LEU 34 N -0.76 2.70 -1.42 -1.34 2.96 0.13 -1.45 118.68 119.50 1ugx s LEU 34 Ca 0.13 -2.23 -0.06 0.00 -0.22 0.00 0.00 54.13 51.74 1ugx s LEU 34 Cb -0.12 -1.02 0.04 0.00 0.50 0.00 0.00 46.19 45.59 1ugx s LEU 34 CO 0.03 -0.33 0.79 0.59 -1.32 0.00 0.00 176.35 176.10 1ugx n ASN 35 N 4.07 -2.62 0.00 3.68 5.03 -1.26 -2.31 115.26 121.85 1ugx n ASN 35 Ca 0.04 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.66 1ugx n ASN 35 Cb 0.38 -3.83 0.00 0.00 -1.02 0.00 0.00 39.78 35.30 1ugx n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ugx n GLY 36 N -1.66 0.56 3.34 7.41 0.00 -1.26 -5.06 105.19 108.51 1ugx n GLY 36 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 1ugx n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugx s SER 37 N -2.42 2.97 0.41 1.61 0.01 -0.98 -5.12 113.70 110.18 1ugx s SER 37 Ca 0.00 -0.71 -0.25 0.00 1.31 0.00 0.00 55.95 56.29 1ugx s SER 37 Cb 0.00 -0.19 -0.08 0.00 0.21 0.00 0.00 66.02 65.96 1ugx s SER 37 CO 0.00 0.13 1.18 -2.84 0.41 0.00 0.00 173.24 172.12 1ugx s PRO 38 N -1.96 4.02 -0.17 12.44 0.02 -1.26 0.21 135.00 148.30 1ugx s PRO 38 Ca 0.11 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 62.97 1ugx s PRO 38 Cb -0.10 -2.66 0.05 0.00 0.02 0.00 0.00 34.50 31.81 1ugx s PRO 38 CO 0.05 -0.36 0.00 -0.47 -0.33 0.00 0.00 177.00 175.90 1ugx s TYR 39 N -1.41 1.23 -0.41 6.54 6.14 0.86 -4.79 117.35 125.51 1ugx s TYR 39 Ca 0.58 -0.87 -0.29 0.00 0.64 0.00 0.00 57.07 57.13 1ugx s TYR 39 Cb -0.31 -1.10 0.02 0.00 0.42 0.00 0.00 41.96 40.99 1ugx s TYR 39 CO 0.39 -0.58 1.24 0.08 0.64 0.00 0.00 175.55 177.32 1ugx s VAL 40 N 1.79 4.14 0.75 3.14 1.01 -1.26 -0.51 120.40 129.46 1ugx s VAL 40 Ca -0.00 1.21 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 1ugx s VAL 40 Cb -0.16 -4.39 0.04 0.00 0.00 0.00 0.00 36.38 31.87 1ugx s VAL 40 CO -0.07 -0.78 1.08 -0.83 0.00 0.00 0.00 175.10 174.49 1ugx s GLY 41 N 2.86 1.65 0.49 4.51 0.00 0.08 -4.98 107.32 111.93 1ugx s GLY 41 Ca 0.53 0.03 -0.23 0.00 0.00 0.00 0.00 44.72 45.05 1ugx s GLY 41 CO 0.29 0.39 1.32 1.62 0.00 0.00 0.00 173.10 176.72 1ugx s GLN 42 N -5.04 3.50 -0.22 2.90 0.74 -1.26 -4.61 119.66 115.68 1ugx s GLN 42 Ca 0.60 2.17 -0.24 0.00 0.05 0.00 0.00 55.36 57.93 1ugx s GLN 42 Cb -0.15 -2.45 -0.01 0.00 1.10 0.00 0.00 33.01 31.50 1ugx s GLN 42 CO 0.55 -0.88 0.81 1.21 -0.55 0.00 0.00 175.29 176.44 1ugx s ASN 43 N -0.91 6.85 -0.45 6.67 2.47 -1.26 -4.53 114.94 123.78 1ugx s ASN 43 Ca 0.65 1.06 -0.16 0.00 0.42 0.00 0.00 52.86 54.84 1ugx s ASN 43 Cb -0.38 -2.43 0.05 0.00 -1.45 0.00 0.00 41.25 37.04 1ugx s ASN 43 CO 0.47 -0.46 0.37 -1.00 -3.72 0.00 0.00 177.10 172.77 1ugx s HIS 44 N 2.55 3.23 0.08 0.43 3.76 -0.40 -5.00 115.29 119.93 1ugx s HIS 44 Ca 0.35 -0.78 0.03 0.00 -0.15 0.00 0.00 55.06 54.51 1ugx s HIS 44 Cb -0.16 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 1ugx s HIS 44 CO 0.09 -0.73 0.10 0.14 -0.85 0.00 0.00 174.74 173.49 1ugx s VAL 45 N 1.71 4.67 0.73 -0.90 -7.23 -1.26 -1.03 120.40 117.09 1ugx s VAL 45 Ca 0.05 -0.71 -0.13 0.00 -1.81 0.00 0.00 61.98 59.37 1ugx s VAL 45 Cb -0.22 -3.26 0.04 0.00 0.56 0.00 0.00 36.38 33.49 1ugx s VAL 45 CO 0.08 0.12 1.13 -0.55 -0.31 0.00 0.00 175.10 175.57 1ugx s SER 46 N -2.43 4.54 0.40 4.85 0.15 -1.26 -4.85 113.70 115.09 1ugx s SER 46 Ca 0.30 2.05 0.28 0.00 0.70 0.00 0.00 55.95 59.28 1ugx s SER 46 Cb -0.12 -2.55 0.96 0.00 -1.71 0.00 0.00 66.02 62.59 1ugx s SER 46 CO 0.23 -2.02 1.80 -0.26 1.20 0.00 0.00 173.24 174.19 1ugx h PHE 47 N -0.53 0.00 -5.14 3.44 0.04 -1.11 -3.46 116.94 110.19 1ugx h PHE 47 Ca -0.46 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 59.63 1ugx h PHE 47 Cb 1.25 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.28 1ugx h PHE 47 CO 0.53 0.00 -0.48 0.44 -0.60 0.00 0.00 178.31 178.20 1ugx n ILE 48 N -2.74 0.00 -4.11 -0.55 -5.35 -1.26 -5.04 119.36 100.31 1ugx n ILE 48 Ca 0.03 -2.46 -0.05 0.00 -0.27 0.00 0.00 62.75 59.99 1ugx n ILE 48 Cb 0.35 0.47 -0.01 0.00 -1.74 0.00 0.00 39.64 38.71 1ugx n ILE 48 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ugx n THR 49 N -1.34 0.00 -0.17 7.28 -2.24 -1.26 -4.91 114.28 111.64 1ugx n THR 49 Ca -0.21 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1ugx n THR 49 Cb 0.66 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1ugx n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugx n GLY 50 N 3.74 0.90 3.94 3.38 0.00 -1.26 -5.09 105.19 110.79 1ugx n GLY 50 Ca -0.03 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1ugx n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugx s PHE 51 N -2.00 3.48 -0.27 1.61 0.08 -1.26 -4.84 117.98 114.78 1ugx s PHE 51 Ca 0.00 0.27 -0.11 0.00 0.12 0.00 0.00 56.93 57.22 1ugx s PHE 51 Cb 0.00 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.60 1ugx s PHE 51 CO 0.00 0.36 0.17 0.99 -0.10 0.00 0.00 175.22 176.64 1ugx s THR 52 N -1.94 5.20 0.58 0.64 2.01 0.14 -4.83 115.64 117.43 1ugx s THR 52 Ca 0.38 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.41 1ugx s THR 52 Cb -0.11 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1ugx s THR 52 CO 0.30 0.27 0.96 -2.16 -0.69 0.00 0.00 174.62 173.30 1ugx s PRO 53 N 1.68 3.60 -0.12 4.92 0.04 -1.26 -1.09 135.00 142.77 1ugx s PRO 53 Ca 0.07 0.61 -0.18 0.00 0.04 0.00 0.00 61.00 61.54 1ugx s PRO 53 Cb -0.16 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.26 1ugx s PRO 53 CO 0.10 -0.45 0.46 0.54 0.04 0.00 0.00 177.00 177.68 1ugx s VAL 54 N -3.03 0.01 -0.12 -0.36 0.11 -0.23 -4.96 120.40 111.83 1ugx s VAL 54 Ca 0.53 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.47 1ugx s VAL 54 Cb -0.11 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1ugx s VAL 54 CO 0.50 -0.07 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.30 1ugx s LYS 55 N -0.35 3.23 -0.39 1.54 2.20 -1.26 -2.34 119.74 122.36 1ugx s LYS 55 Ca -0.05 -0.73 -0.00 0.00 -0.36 0.00 0.00 55.97 54.82 1ugx s LYS 55 Cb -0.03 -2.53 0.11 0.00 -1.51 0.00 0.00 37.83 33.86 1ugx s LYS 55 CO 0.03 0.24 0.16 0.42 -0.36 0.00 0.00 175.35 175.84 1ugx s ILE 56 N 0.25 2.96 -0.34 5.43 1.01 0.61 -4.99 121.20 126.13 1ugx s ILE 56 Ca -0.11 -2.20 -0.15 0.00 0.00 0.00 0.00 60.65 58.19 1ugx s ILE 56 Cb -0.16 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1ugx s ILE 56 CO 0.06 -0.67 0.38 -0.44 0.00 0.00 0.00 174.94 174.27 1ugx s SER 57 N 1.45 6.20 0.16 3.58 0.01 -1.26 -1.00 113.70 122.84 1ugx s SER 57 Ca 0.10 -0.18 -0.10 0.00 1.31 0.00 0.00 55.95 57.08 1ugx s SER 57 Cb -0.22 -2.21 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 1ugx s SER 57 CO -0.05 -0.35 0.49 -0.76 0.41 0.00 0.00 173.24 172.98 1ugx s LEU 58 N 2.06 4.26 -1.39 2.44 1.43 -0.37 -4.98 118.68 122.13 1ugx s LEU 58 Ca 0.13 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 1ugx s LEU 58 Cb -0.16 -3.38 0.09 0.00 0.03 0.00 0.00 46.19 42.77 1ugx s LEU 58 CO 0.12 0.04 2.12 -0.67 0.23 0.00 0.00 176.35 178.19 1ugx n ASP 59 N 0.33 4.71 -4.77 2.29 4.64 -1.26 -4.86 116.55 117.64 1ugx n ASP 59 Ca -0.03 -2.95 -0.41 0.00 -1.38 0.00 0.00 54.79 50.02 1ugx n ASP 59 Cb 0.52 -1.57 -0.02 0.00 -1.04 0.00 0.00 41.12 39.01 1ugx n ASP 59 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1ugx s PHE 60 N 1.86 2.97 -2.67 -0.67 5.36 -1.26 -0.40 117.98 123.17 1ugx s PHE 60 Ca 0.45 1.35 0.24 0.00 -0.96 0.00 0.00 56.93 58.01 1ugx s PHE 60 Cb 0.13 -3.75 0.45 0.00 -0.34 0.00 0.00 43.02 39.51 1ugx s PHE 60 CO -0.05 -2.10 1.41 -0.35 -1.46 0.00 0.00 175.22 172.67 1ugx n PRO 61 N 0.85 2.23 0.18 10.12 -0.04 -1.26 -4.85 135.00 142.23 1ugx n PRO 61 Ca 0.01 -1.83 0.02 0.00 -0.04 0.00 0.00 63.50 61.66 1ugx n PRO 61 Cb 0.41 -1.47 0.32 0.00 -0.04 0.00 0.00 33.50 32.72 1ugx n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ugx h SER 62 N 4.02 0.00 -3.30 3.54 4.64 -1.76 -3.42 113.55 117.27 1ugx h SER 62 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1ugx h SER 62 Cb 0.87 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.77 1ugx h SER 62 CO 0.00 0.43 -0.63 -0.70 -0.87 0.00 0.00 176.83 175.06 1ugx s GLU 63 N -3.98 3.65 0.02 4.77 2.12 0.47 -4.95 118.70 120.80 1ugx s GLU 63 Ca -0.02 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 54.74 1ugx s GLU 63 Cb 0.14 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.55 1ugx s GLU 63 CO 0.72 0.34 0.26 1.52 -0.54 0.00 0.00 175.26 177.57 1ugx s TYR 64 N 0.13 -0.07 0.14 5.30 -0.85 -1.26 -4.27 117.35 116.47 1ugx s TYR 64 Ca 0.01 -0.02 -0.31 0.00 -0.52 0.00 0.00 57.07 56.23 1ugx s TYR 64 Cb -0.13 0.05 -0.09 0.00 0.38 0.00 0.00 41.96 42.17 1ugx s TYR 64 CO 0.02 -0.43 1.44 0.42 -1.52 0.00 0.00 175.55 175.47 1ugx s ILE 65 N -2.10 3.05 -0.10 -3.49 1.01 -1.26 -2.58 121.20 115.73 1ugx s ILE 65 Ca -0.08 0.77 0.09 0.00 0.00 0.00 0.00 60.65 61.43 1ugx s ILE 65 Cb -0.03 -3.49 -0.13 0.00 0.01 0.00 0.00 42.46 38.81 1ugx s ILE 65 CO -0.01 0.07 0.24 0.23 0.00 0.00 0.00 174.94 175.47 1ugx n MET 66 N 3.76 1.11 -3.63 2.79 2.81 0.10 -4.74 117.12 119.32 1ugx n MET 66 Ca 0.11 -0.07 -0.11 0.00 -1.81 0.00 0.00 57.70 55.83 1ugx n MET 66 Cb 0.41 -1.16 -0.07 0.00 -0.71 0.00 0.00 33.22 31.69 1ugx n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ugx s GLU 67 N -2.47 0.77 -0.09 0.03 2.12 -0.78 -0.40 118.70 117.87 1ugx s GLU 67 Ca -0.02 1.06 0.04 0.00 0.36 0.00 0.00 54.97 56.41 1ugx s GLU 67 Cb 0.06 0.30 -0.00 0.00 0.26 0.00 0.00 34.13 34.75 1ugx s GLU 67 CO 0.38 -0.12 -0.24 0.08 -0.54 0.00 0.00 175.26 174.83 1ugx s VAL 68 N 0.83 2.10 0.18 3.70 1.01 -0.77 -0.63 120.40 126.82 1ugx s VAL 68 Ca -0.04 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1ugx s VAL 68 Cb -0.05 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1ugx s VAL 68 CO -0.07 0.56 0.12 -0.94 0.00 0.00 0.00 175.10 174.77 1ugx s SER 69 N 0.26 0.18 0.00 3.32 1.04 -0.62 0.23 113.70 118.10 1ugx s SER 69 Ca -0.16 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1ugx s SER 69 Cb -0.17 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1ugx s SER 69 CO 0.08 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1ugx n GLY 70 N -0.22 -0.75 2.96 7.32 0.00 -0.70 -0.41 105.19 113.39 1ugx n GLY 70 Ca -0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 1ugx n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugx s TYR 71 N -3.00 0.34 0.08 1.61 2.02 -0.99 -1.75 117.35 115.65 1ugx s TYR 71 Ca 0.00 -0.26 0.10 0.00 -0.37 0.00 0.00 57.07 56.53 1ugx s TYR 71 Cb 0.00 -0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.31 1ugx s TYR 71 CO 0.00 -0.07 -0.26 0.95 -1.57 0.00 0.00 175.55 174.61 1ugx s THR 72 N -0.69 2.10 0.09 -0.71 -4.23 -0.10 -0.54 115.64 111.56 1ugx s THR 72 Ca -0.06 -1.50 -0.26 0.00 -1.18 0.00 0.00 61.69 58.69 1ugx s THR 72 Cb -0.05 -1.83 0.09 0.00 1.34 0.00 0.00 72.50 72.05 1ugx s THR 72 CO -0.00 0.23 1.15 -0.83 -0.54 0.00 0.00 174.62 174.62 1ugx s GLY 73 N -1.55 -0.09 -0.00 3.99 0.00 -0.56 -0.38 107.32 108.72 1ugx s GLY 73 Ca 0.12 0.02 -0.23 0.00 0.00 0.00 0.00 44.72 44.62 1ugx s GLY 73 CO 0.03 2.61 0.71 -1.31 0.00 0.00 0.00 173.10 175.14 1ugx s ASN 74 N -3.38 7.09 -0.10 1.64 0.01 -1.26 -0.89 114.94 118.05 1ugx s ASN 74 Ca 0.21 1.30 -0.02 0.00 -0.71 0.00 0.00 52.86 53.64 1ugx s ASN 74 Cb -0.00 -2.43 0.04 0.00 0.41 0.00 0.00 41.25 39.27 1ugx s ASN 74 CO 0.02 -0.01 0.04 -0.69 -1.51 0.00 0.00 177.10 174.95 1ugx s VAL 75 N 0.18 0.17 -1.39 1.60 1.01 0.44 -4.81 120.40 117.60 1ugx s VAL 75 Ca 0.37 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1ugx s VAL 75 Cb -0.19 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1ugx s VAL 75 CO 0.20 0.06 0.23 -1.20 0.00 0.00 0.00 175.10 174.39 1ugx n SER 76 N 5.20 -4.87 0.00 3.32 7.64 -1.26 -1.37 113.62 122.28 1ugx n SER 76 Ca -0.06 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1ugx n SER 76 Cb 0.49 -4.04 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1ugx n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugx n GLY 77 N -1.09 0.83 3.48 0.23 0.00 -1.26 -5.05 105.19 102.33 1ugx n GLY 77 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1ugx n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugx s TYR 78 N -3.01 2.73 -0.17 1.61 2.02 -0.47 -5.06 117.35 115.00 1ugx s TYR 78 Ca 0.00 -0.16 -0.27 0.00 -0.37 0.00 0.00 57.07 56.28 1ugx s TYR 78 Cb 0.00 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 1ugx s TYR 78 CO 0.00 0.18 0.89 0.08 -1.57 0.00 0.00 175.55 175.14 1ugx s VAL 79 N -0.69 4.84 0.23 0.71 1.01 -1.26 -0.42 120.40 124.81 1ugx s VAL 79 Ca 0.10 1.76 -0.00 0.00 0.00 0.00 0.00 61.98 63.84 1ugx s VAL 79 Cb -0.11 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1ugx s VAL 79 CO 0.01 -0.01 0.18 0.68 0.00 0.00 0.00 175.10 175.96 1ugx s VAL 80 N 2.27 0.00 -0.43 2.92 -7.23 -0.07 -4.77 120.40 113.09 1ugx s VAL 80 Ca 0.41 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 58.37 1ugx s VAL 80 Cb -0.17 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.31 1ugx s VAL 80 CO 0.13 0.00 0.82 -0.69 -0.31 0.00 0.00 175.10 175.05 1ugx s VAL 81 N -4.02 4.62 -0.13 1.32 1.01 0.41 -1.50 120.40 122.12 1ugx s VAL 81 Ca 0.38 0.63 0.16 0.00 0.00 0.00 0.00 61.98 63.15 1ugx s VAL 81 Cb 0.06 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1ugx s VAL 81 CO 0.15 -0.68 1.12 0.03 0.00 0.00 0.00 175.10 175.72 1ugx h ARG 82 N 8.87 0.00 -2.88 2.72 3.08 -1.10 -2.55 114.38 122.52 1ugx h ARG 82 Ca -0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 1ugx h ARG 82 Cb 1.08 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.98 1ugx h ARG 82 CO 0.97 0.41 0.01 -1.54 -1.07 0.00 0.00 179.97 178.74 1ugx s SER 83 N -6.11 -0.40 0.02 7.04 1.04 -1.19 -1.00 113.70 113.10 1ugx s SER 83 Ca 0.00 0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.53 1ugx s SER 83 Cb 0.08 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1ugx s SER 83 CO 0.78 -0.73 -0.04 -0.76 0.98 0.00 0.00 173.24 173.48 1ugx s LEU 84 N -2.07 2.17 -0.02 2.42 1.43 -0.73 -2.33 118.68 119.55 1ugx s LEU 84 Ca -0.04 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1ugx s LEU 84 Cb -0.01 -0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.22 1ugx s LEU 84 CO -0.03 -0.18 -0.01 -0.89 0.23 0.00 0.00 176.35 175.46 1ugx s THR 85 N -1.02 0.20 -0.20 5.49 2.01 0.45 -1.22 115.64 121.35 1ugx s THR 85 Ca -0.10 0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.92 1ugx s THR 85 Cb -0.07 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.22 1ugx s THR 85 CO -0.00 0.12 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.52 1ugx s PHE 86 N 0.62 2.90 -0.22 4.92 0.08 -0.11 -1.59 117.98 124.58 1ugx s PHE 86 Ca -0.06 -1.69 -0.06 0.00 0.12 0.00 0.00 56.93 55.24 1ugx s PHE 86 Cb -0.09 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1ugx s PHE 86 CO -0.01 -0.79 0.02 0.21 -0.10 0.00 0.00 175.22 174.55 1ugx s LYS 87 N 1.28 3.61 0.35 0.44 2.20 0.20 0.02 119.74 127.83 1ugx s LYS 87 Ca 0.02 -0.51 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1ugx s LYS 87 Cb -0.15 -3.16 0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1ugx s LYS 87 CO -0.10 -0.07 0.32 0.25 -0.36 0.00 0.00 175.35 175.38 1ugx n THR 88 N 4.52 0.00 1.76 3.43 -2.24 0.15 0.01 114.28 121.92 1ugx n THR 88 Ca -0.17 -1.31 0.14 0.00 -2.27 0.00 0.00 64.05 60.44 1ugx n THR 88 Cb 0.52 -0.33 0.84 0.00 -2.10 0.00 0.00 70.33 69.25 1ugx n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ugx n ASN 89 N -2.07 0.00 0.01 3.42 6.94 -1.06 -4.08 115.26 118.41 1ugx n ASN 89 Ca 0.02 -0.86 -0.00 0.00 -0.02 0.00 0.00 54.58 53.72 1ugx n ASN 89 Cb 0.38 -0.01 -0.00 0.00 -2.36 0.00 0.00 39.78 37.79 1ugx n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ugx n LYS 90 N -1.01 0.00 -4.18 -3.83 5.02 -1.26 -5.06 118.16 107.85 1ugx n LYS 90 Ca 0.21 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.28 1ugx n LYS 90 Cb 0.10 -0.51 -0.07 0.00 -0.02 0.00 0.00 35.03 34.54 1ugx n LYS 90 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ugx n LYS 91 N -3.07 0.55 -4.33 1.97 5.02 -1.26 -5.14 118.16 111.91 1ugx n LYS 91 Ca -0.00 -3.15 -0.30 0.00 -2.02 0.00 0.00 58.31 52.84 1ugx n LYS 91 Cb 0.44 1.90 -0.17 0.00 -0.02 0.00 0.00 35.03 37.19 1ugx n LYS 91 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ugx s THR 92 N -3.02 1.66 -0.27 -0.18 2.01 -1.26 -0.67 115.64 113.90 1ugx s THR 92 Ca 0.23 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 1ugx s THR 92 Cb 0.01 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 1ugx s THR 92 CO 0.16 0.47 0.07 -0.31 -0.69 0.00 0.00 174.62 174.32 1ugx s TYR 93 N 1.14 3.10 0.00 4.92 1.51 0.10 -4.98 117.35 123.15 1ugx s TYR 93 Ca -0.02 -0.73 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 1ugx s TYR 93 Cb -0.14 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 1ugx s TYR 93 CO -0.05 -0.48 0.00 0.41 -1.11 0.00 0.00 175.55 174.31 1ugx n GLY 94 N 4.89 -0.24 3.77 0.71 0.00 -1.26 -0.93 105.19 112.13 1ugx n GLY 94 Ca -0.15 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.26 1ugx n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugx s PRO 95 N 0.00 3.74 -0.15 1.61 0.04 -1.26 -4.99 135.00 133.99 1ugx s PRO 95 Ca 0.00 1.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1ugx s PRO 95 Cb 0.00 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1ugx s PRO 95 CO 0.00 -0.59 -0.11 0.71 0.04 0.00 0.00 177.00 177.05 1ugx s TYR 96 N -1.48 2.86 0.00 0.56 2.02 -0.36 -4.97 117.35 116.00 1ugx s TYR 96 Ca 0.63 -0.72 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1ugx s TYR 96 Cb -0.31 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 1ugx s TYR 96 CO 0.38 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 1ugx n GLY 97 N 3.86 -0.12 3.44 0.71 0.00 -1.26 -1.78 105.19 110.04 1ugx n GLY 97 Ca -0.18 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 1ugx n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ugx s VAL 98 N 0.00 4.23 -1.36 1.61 1.01 -0.17 -4.77 120.40 120.95 1ugx s VAL 98 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1ugx s VAL 98 Cb 0.00 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.45 1ugx s VAL 98 CO 0.00 0.36 2.62 0.35 0.00 0.00 0.00 175.10 178.43 1ugx n THR 99 N 4.79 4.83 -4.27 3.92 -2.24 -1.26 -3.77 114.28 116.27 1ugx n THR 99 Ca -0.16 -3.64 -0.17 0.00 -2.27 0.00 0.00 64.05 57.80 1ugx n THR 99 Cb 0.51 -2.23 -0.14 0.00 -2.10 0.00 0.00 70.33 66.37 1ugx n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ugx s SER 100 N 1.00 1.03 0.00 3.42 0.15 -1.26 -5.08 113.70 112.97 1ugx s SER 100 Ca 0.60 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1ugx s SER 100 Cb 0.19 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1ugx s SER 100 CO -0.09 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1ugx n GLY 101 N 2.49 0.15 3.64 9.45 0.00 -1.26 -4.53 105.19 115.13 1ugx n GLY 101 Ca -0.16 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 1ugx n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugx s THR 102 N 0.00 5.29 0.63 2.61 2.01 0.49 -4.87 115.64 121.80 1ugx s THR 102 Ca 0.00 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 1ugx s THR 102 Cb 0.00 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1ugx s THR 102 CO 0.00 0.28 1.04 -2.16 -0.69 0.00 0.00 174.62 173.09 1ugx s PRO 103 N 1.39 3.49 0.05 4.92 0.04 -1.26 -0.92 135.00 142.71 1ugx s PRO 103 Ca 0.11 0.74 -0.17 0.00 0.04 0.00 0.00 61.00 61.72 1ugx s PRO 103 Cb -0.15 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1ugx s PRO 103 CO 0.07 -0.64 0.38 -0.59 0.04 0.00 0.00 177.00 176.26 1ugx s PHE 104 N -3.19 -0.21 -0.23 0.56 -0.12 -0.72 -4.91 117.98 109.17 1ugx s PHE 104 Ca 0.55 0.11 -0.25 0.00 -0.05 0.00 0.00 56.93 57.30 1ugx s PHE 104 Cb -0.11 0.18 0.07 0.00 -0.63 0.00 0.00 43.02 42.53 1ugx s PHE 104 CO 0.54 -0.56 0.69 0.54 -0.05 0.00 0.00 175.22 176.37 1ugx s ASN 105 N -2.10 -0.71 -0.35 1.98 2.20 -1.26 -1.71 114.94 112.99 1ugx s ASN 105 Ca -0.04 1.28 0.02 0.00 -0.94 0.00 0.00 52.86 53.17 1ugx s ASN 105 Cb -0.01 1.27 0.10 0.00 -2.00 0.00 0.00 41.25 40.62 1ugx s ASN 105 CO -0.04 -0.30 0.10 -0.22 -2.94 0.00 0.00 177.10 173.70 1ugx s LEU 106 N 0.11 3.43 0.11 3.54 2.96 0.13 -4.99 118.68 123.98 1ugx s LEU 106 Ca -0.02 -2.02 -0.19 0.00 -0.22 0.00 0.00 54.13 51.69 1ugx s LEU 106 Cb -0.04 -1.24 -0.07 0.00 0.50 0.00 0.00 46.19 45.34 1ugx s LEU 106 CO 0.02 -0.38 0.60 -2.84 -1.32 0.00 0.00 176.35 172.44 1ugx s PRO 107 N 1.10 4.19 -0.19 0.98 0.02 -1.26 -1.86 135.00 137.98 1ugx s PRO 107 Ca 0.11 0.74 -0.02 0.00 0.02 0.00 0.00 61.00 61.85 1ugx s PRO 107 Cb -0.19 -3.14 -0.00 0.00 0.02 0.00 0.00 34.50 31.19 1ugx s PRO 107 CO -0.14 0.57 -0.10 0.42 -0.33 0.00 0.00 177.00 177.42 1ugx s ILE 108 N -1.23 2.98 -0.07 2.83 1.01 0.46 -4.98 121.20 122.20 1ugx s ILE 108 Ca 0.33 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 1ugx s ILE 108 Cb -0.19 -2.32 -0.29 0.00 0.01 0.00 0.00 42.46 39.67 1ugx s ILE 108 CO 0.20 0.47 0.59 -0.08 0.00 0.00 0.00 174.94 176.12 1ugx h GLU 109 N 7.82 0.36 -2.87 2.79 4.81 -1.97 -3.47 114.58 122.04 1ugx h GLU 109 Ca -0.40 -0.61 -0.20 0.00 -0.13 0.00 0.00 59.36 58.02 1ugx h GLU 109 Cb 1.16 0.23 -0.31 0.00 0.63 0.00 0.00 28.75 30.46 1ugx h GLU 109 CO 0.60 1.29 -0.51 1.21 -0.73 0.00 0.00 179.01 180.88 1ugx s ASN 110 N -7.22 0.17 0.00 1.04 2.47 -1.26 -5.13 114.94 105.01 1ugx s ASN 110 Ca -0.18 0.61 0.00 0.00 0.42 0.00 0.00 52.86 53.71 1ugx s ASN 110 Cb 0.05 0.67 0.00 0.00 -1.45 0.00 0.00 41.25 40.52 1ugx s ASN 110 CO 0.83 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 174.60 1ugx n GLY 111 N 5.08 1.25 3.00 1.21 0.00 -1.26 -4.97 105.19 109.49 1ugx n GLY 111 Ca -0.11 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.71 1ugx n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugx s LEU 112 N 0.00 2.25 -0.11 0.99 1.43 0.82 -4.97 118.68 119.09 1ugx s LEU 112 Ca 0.00 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 1ugx s LEU 112 Cb 0.00 0.14 -0.02 0.00 0.03 0.00 0.00 46.19 46.34 1ugx s LEU 112 CO 0.00 -0.35 0.80 -0.63 0.23 0.00 0.00 176.35 176.40 1ugx s ILE 113 N -1.82 4.94 -0.01 -0.59 1.01 -1.26 -1.39 121.20 122.08 1ugx s ILE 113 Ca -0.13 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.15 1ugx s ILE 113 Cb -0.07 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.30 1ugx s ILE 113 CO -0.02 0.13 0.88 1.33 0.00 0.00 0.00 174.94 177.26 1ugx n VAL 114 N 4.27 0.78 0.00 2.92 0.24 0.14 -4.51 118.33 122.18 1ugx n VAL 114 Ca 0.02 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1ugx n VAL 114 Cb 0.50 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1ugx n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ugx n GLY 115 N -0.43 0.78 3.12 7.63 0.00 -1.24 -0.36 105.19 114.69 1ugx n GLY 115 Ca 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1ugx n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugx s PHE 116 N -2.00 0.89 0.10 1.61 0.08 -1.25 -1.00 117.98 116.41 1ugx s PHE 116 Ca 0.00 -0.57 -0.12 0.00 0.12 0.00 0.00 56.93 56.36 1ugx s PHE 116 Cb 0.00 -0.51 0.01 0.00 -0.57 0.00 0.00 43.02 41.95 1ugx s PHE 116 CO 0.00 -0.04 0.28 -1.59 -0.10 0.00 0.00 175.22 173.77 1ugx s LYS 117 N -2.11 0.94 0.00 0.44 -2.85 -0.99 -1.52 119.74 113.65 1ugx s LYS 117 Ca -0.03 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 1ugx s LYS 117 Cb -0.07 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1ugx s LYS 117 CO 0.00 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1ugx n GLY 118 N -0.12 -0.64 3.46 0.59 0.00 -0.31 -0.49 105.19 107.67 1ugx n GLY 118 Ca -0.16 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 1ugx n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugx s SER 119 N -4.00 -0.58 -0.05 1.61 0.15 -0.77 -0.43 113.70 109.64 1ugx s SER 119 Ca 0.00 1.12 0.01 0.00 0.70 0.00 0.00 55.95 57.79 1ugx s SER 119 Cb 0.00 1.14 0.02 0.00 -1.71 0.00 0.00 66.02 65.47 1ugx s SER 119 CO 0.00 -0.19 -0.06 -0.63 1.20 0.00 0.00 173.24 173.56 1ugx s ILE 120 N 0.31 0.65 0.00 6.45 1.01 -0.89 -0.10 121.20 128.62 1ugx s ILE 120 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1ugx s ILE 120 Cb -0.04 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.79 1ugx s ILE 120 CO 0.01 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1ugx n GLY 121 N 3.94 1.23 0.14 6.18 0.00 -1.26 -0.53 105.19 114.89 1ugx n GLY 121 Ca -0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1ugx n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ugx h TYR 122 N 0.00 0.48 -3.79 1.61 -1.99 -1.95 0.55 116.97 111.88 1ugx h TYR 122 Ca 0.00 -0.26 -0.41 0.00 2.00 0.00 0.00 58.73 60.06 1ugx h TYR 122 Cb 0.00 -0.05 -0.14 0.00 2.00 0.00 0.00 36.73 38.54 1ugx h TYR 122 CO 0.00 1.08 -0.57 -1.58 -0.00 0.00 0.00 178.16 177.09 1ugx s TRP 123 N -3.22 1.60 -0.32 4.88 0.51 -1.26 -4.50 118.94 116.64 1ugx s TRP 123 Ca -0.05 -1.30 -0.29 0.00 -2.12 0.00 0.00 56.10 52.35 1ugx s TRP 123 Cb 0.09 -0.90 -0.01 0.00 -0.81 0.00 0.00 33.47 31.84 1ugx s TRP 123 CO 0.85 -0.44 1.70 -1.17 -0.51 0.00 0.00 176.95 177.38 1ugx s LEU 124 N -3.37 3.59 -0.02 2.99 2.96 -0.33 -4.37 118.68 120.12 1ugx s LEU 124 Ca 0.35 1.29 -0.25 0.00 -0.22 0.00 0.00 54.13 55.30 1ugx s LEU 124 Cb 0.06 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 43.02 1ugx s LEU 124 CO 0.16 -1.57 1.21 0.44 -1.32 0.00 0.00 176.35 175.27 1ugx h ASP 125 N 12.06 0.11 -5.02 3.68 3.32 -0.81 0.12 116.42 129.88 1ugx h ASP 125 Ca -0.33 -0.57 0.11 0.00 0.02 0.00 0.00 57.03 56.26 1ugx h ASP 125 Cb 1.15 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.57 1ugx h ASP 125 CO 1.03 0.66 0.41 -0.72 -1.72 0.00 0.00 179.24 178.90 1ugx s TYR 126 N -3.93 -0.27 0.09 4.55 -0.85 -1.22 -4.14 117.35 111.59 1ugx s TYR 126 Ca -0.16 0.01 -0.18 0.00 -0.52 0.00 0.00 57.07 56.21 1ugx s TYR 126 Cb 0.02 0.61 0.04 0.00 0.38 0.00 0.00 41.96 43.01 1ugx s TYR 126 CO 0.70 -0.80 0.44 -0.59 -1.52 0.00 0.00 175.55 173.78 1ugx s PHE 127 N -3.40 -0.29 0.16 -3.49 -0.71 -1.26 -1.85 117.98 107.14 1ugx s PHE 127 Ca 0.08 0.13 0.02 0.00 -1.04 0.00 0.00 56.93 56.12 1ugx s PHE 127 Cb -0.02 0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 42.04 1ugx s PHE 127 CO -0.03 -0.67 -0.02 -1.12 -1.34 0.00 0.00 175.22 172.04 1ugx s SER 128 N -2.43 1.25 -0.00 1.98 0.01 0.35 -4.96 113.70 109.91 1ugx s SER 128 Ca -0.01 -1.13 0.04 0.00 1.31 0.00 0.00 55.95 56.17 1ugx s SER 128 Cb 0.00 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 1ugx s SER 128 CO -0.08 -0.53 -0.14 -0.04 0.41 0.00 0.00 173.24 172.87 1ugx s MET 129 N -3.88 1.07 -0.02 12.44 -1.94 -1.26 -2.34 119.30 123.36 1ugx s MET 129 Ca 0.21 -0.53 -0.21 0.00 -1.71 0.00 0.00 55.69 53.44 1ugx s MET 129 Cb 0.06 -1.04 -0.05 0.00 2.01 0.00 0.00 34.83 35.81 1ugx s MET 129 CO 0.02 0.28 0.62 0.71 -0.01 0.00 0.00 175.02 176.64 1ugx s TYR 130 N -0.41 3.65 0.04 -0.03 1.51 -0.17 -4.98 117.35 116.95 1ugx s TYR 130 Ca 0.05 1.20 0.08 0.00 -1.01 0.00 0.00 57.07 57.39 1ugx s TYR 130 Cb -0.06 -2.66 -0.03 0.00 -0.11 0.00 0.00 41.96 39.11 1ugx s TYR 130 CO -0.00 0.27 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.96 1ugx s LEU 131 N 0.10 2.16 0.20 -1.29 1.43 -1.26 -0.68 118.68 119.33 1ugx s LEU 131 Ca 0.33 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 1ugx s LEU 131 Cb -0.18 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 44.91 1ugx s LEU 131 CO 0.17 0.22 0.47 -0.55 0.23 0.00 0.00 176.35 176.89 1ugx s SER 132 N -1.15 -0.16 0.00 2.29 0.15 -0.48 -4.93 113.70 109.41 1ugx s SER 132 Ca 0.10 -0.63 0.29 0.00 0.70 0.00 0.00 55.95 56.40 1ugx s SER 132 Cb -0.09 0.55 1.27 0.00 -1.71 0.00 0.00 66.02 66.04 1ugx s SER 132 CO 0.02 -1.03 1.87 0.18 1.20 0.00 0.00 173.24 175.47