#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugy s LYS 2 N 0.00 3.69 0.49 1.61 2.20 -0.71 -4.80 119.74 122.21 1ugy s LYS 2 Ca 0.00 -0.15 -0.21 0.00 -0.36 0.00 0.00 55.97 55.25 1ugy s LYS 2 Cb 0.00 -3.78 -0.08 0.00 -1.51 0.00 0.00 37.83 32.46 1ugy s LYS 2 CO 0.00 -0.56 1.08 0.00 -0.36 0.00 0.00 175.35 175.52 1ugy s ALA 3 N 2.27 2.87 0.05 3.13 0.00 -1.26 -1.99 121.76 126.82 1ugy s ALA 3 Ca 0.17 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1ugy s ALA 3 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1ugy s ALA 3 CO 0.12 -0.47 -0.01 -0.59 0.00 0.00 0.00 175.76 174.82 1ugy s PHE 4 N -1.82 0.44 -0.29 0.00 -0.71 -0.11 -4.94 117.98 110.55 1ugy s PHE 4 Ca 0.67 -0.93 0.02 0.00 -1.04 0.00 0.00 56.93 55.65 1ugy s PHE 4 Cb -0.21 -0.32 0.16 0.00 -1.21 0.00 0.00 43.02 41.44 1ugy s PHE 4 CO 0.25 -0.37 0.43 0.34 -1.34 0.00 0.00 175.22 174.53 1ugy s ASP 5 N -2.68 0.10 0.29 1.98 -1.08 -1.26 -1.17 116.67 112.85 1ugy s ASP 5 Ca 0.03 -0.27 0.05 0.00 -0.52 0.00 0.00 52.55 51.84 1ugy s ASP 5 Cb 0.05 1.24 0.43 0.00 -1.46 0.00 0.00 42.92 43.18 1ugy s ASP 5 CO -0.09 -0.34 1.70 0.44 0.52 0.00 0.00 175.17 177.40 1ugy h ASP 6 N 8.14 0.34 -4.20 -0.34 3.32 -1.61 -3.49 116.42 118.58 1ugy h ASP 6 Ca -0.08 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1ugy h ASP 6 Cb 1.13 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1ugy h ASP 6 CO 0.25 0.68 0.00 0.61 -1.72 0.00 0.00 179.24 179.06 1ugy n GLY 7 N -0.24 -1.79 3.75 2.75 0.00 -1.25 -4.96 105.19 103.45 1ugy n GLY 7 Ca -0.01 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1ugy n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ugy s ALA 8 N -1.72 3.50 0.00 4.61 0.00 -1.26 -3.92 121.76 122.96 1ugy s ALA 8 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1ugy s ALA 8 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1ugy s ALA 8 CO 0.00 0.61 0.00 1.19 0.00 0.00 0.00 175.76 177.56 1ugy n PHE 9 N 1.99 0.00 0.02 0.00 3.01 0.06 -5.01 117.46 117.53 1ugy n PHE 9 Ca -0.18 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.39 1ugy n PHE 9 Cb 0.54 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.88 1ugy n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ugy n THR 10 N 0.00 0.18 -1.23 4.37 -1.04 -0.44 -4.87 114.28 111.25 1ugy n THR 10 Ca 0.00 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1ugy n THR 10 Cb 0.00 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 1ugy n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ugy n GLY 11 N 1.24 -1.44 3.18 3.41 0.00 -1.16 -4.93 105.19 105.48 1ugy n GLY 11 Ca -0.03 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1ugy n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugy s ILE 12 N -2.38 1.82 -0.16 -0.61 1.01 -1.26 -1.39 121.20 118.24 1ugy s ILE 12 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1ugy s ILE 12 Cb 0.00 -1.58 -0.12 0.00 0.01 0.00 0.00 42.46 40.77 1ugy s ILE 12 CO 0.00 0.51 -0.10 0.54 0.00 0.00 0.00 174.94 175.89 1ugy n ARG 13 N 3.52 0.76 -3.65 2.79 1.74 -0.13 -4.80 116.66 116.89 1ugy n ARG 13 Ca -0.20 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 1ugy n ARG 13 Cb 0.53 -1.33 -0.08 0.00 -1.02 0.00 0.00 32.46 30.56 1ugy n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ugy s GLU 14 N -2.33 0.76 -0.12 5.56 2.12 -0.76 -1.62 118.70 122.32 1ugy s GLU 14 Ca -0.19 0.59 0.02 0.00 0.36 0.00 0.00 54.97 55.75 1ugy s GLU 14 Cb 0.05 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.82 1ugy s GLU 14 CO 0.42 -0.14 -0.17 0.42 -0.54 0.00 0.00 175.26 175.24 1ugy s ILE 15 N -0.19 1.68 -0.19 -3.70 1.01 -0.51 0.26 121.20 119.57 1ugy s ILE 15 Ca -0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1ugy s ILE 15 Cb -0.03 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1ugy s ILE 15 CO 0.03 0.48 -0.13 0.20 0.00 0.00 0.00 174.94 175.52 1ugy s ASN 16 N 0.90 3.72 0.13 3.58 0.01 0.40 -0.11 114.94 123.57 1ugy s ASN 16 Ca -0.07 -0.50 -0.03 0.00 -0.71 0.00 0.00 52.86 51.54 1ugy s ASN 16 Cb -0.15 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.87 1ugy s ASN 16 CO -0.01 0.01 0.11 -1.48 -1.51 0.00 0.00 177.10 174.22 1ugy s LEU 17 N 1.24 1.65 0.07 0.60 0.05 -0.46 -0.52 118.68 121.31 1ugy s LEU 17 Ca 0.03 -1.08 0.04 0.00 0.05 0.00 0.00 54.13 53.17 1ugy s LEU 17 Cb -0.14 0.53 -0.03 0.00 -2.05 0.00 0.00 46.19 44.50 1ugy s LEU 17 CO -0.06 -0.75 -0.11 -0.94 -0.55 0.00 0.00 176.35 173.93 1ugy s SER 18 N -3.01 1.40 0.23 1.48 1.04 -0.93 0.84 113.70 114.75 1ugy s SER 18 Ca 0.20 -0.67 -0.06 0.00 0.48 0.00 0.00 55.95 55.89 1ugy s SER 18 Cb 0.06 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 1ugy s SER 18 CO -0.01 -0.17 0.31 -0.72 0.98 0.00 0.00 173.24 173.62 1ugy s TYR 19 N -1.73 0.80 -0.09 5.02 1.13 -0.68 -0.38 117.35 121.41 1ugy s TYR 19 Ca -0.01 -1.08 -0.00 0.00 -1.41 0.00 0.00 57.07 54.57 1ugy s TYR 19 Cb -0.07 -0.20 0.02 0.00 -1.10 0.00 0.00 41.96 40.61 1ugy s TYR 19 CO 0.01 -0.82 -0.07 1.21 -2.51 0.00 0.00 175.55 173.37 1ugy s ASN 20 N -3.10 1.93 0.02 -0.18 2.47 -1.07 0.24 114.94 115.25 1ugy s ASN 20 Ca 0.31 -0.25 0.01 0.00 0.42 0.00 0.00 52.86 53.35 1ugy s ASN 20 Cb 0.03 -0.74 0.05 0.00 -1.45 0.00 0.00 41.25 39.14 1ugy s ASN 20 CO 0.11 -0.11 0.92 2.29 -3.72 0.00 0.00 177.10 176.59 1ugy n LYS 21 N 4.76 0.01 -0.02 0.43 2.85 -1.26 -2.11 118.16 122.82 1ugy n LYS 21 Ca -0.14 0.40 0.02 0.00 -1.05 0.00 0.00 58.31 57.54 1ugy n LYS 21 Cb 0.50 -1.63 -0.07 0.00 -0.65 0.00 0.00 35.03 33.18 1ugy n LYS 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ugy n GLU 22 N -1.43 1.03 0.00 -1.58 1.02 -1.26 -4.70 120.64 113.72 1ugy n GLU 22 Ca -0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1ugy n GLU 22 Cb 0.12 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1ugy n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ugy n THR 23 N -1.98 0.00 -3.05 2.62 -2.24 -0.90 -5.01 114.28 103.73 1ugy n THR 23 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ugy n THR 23 Cb 0.41 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1ugy n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ugy n ALA 24 N -2.54 0.00 -2.06 6.98 0.00 -1.24 -4.61 120.51 117.04 1ugy n ALA 24 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1ugy n ALA 24 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ugy n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ugy s ILE 25 N -2.82 3.67 0.00 0.00 -1.09 -1.10 -2.60 121.20 117.27 1ugy s ILE 25 Ca 0.00 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.84 1ugy s ILE 25 Cb 0.00 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1ugy s ILE 25 CO 0.00 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.55 1ugy n GLY 26 N 2.14 0.10 3.82 6.18 0.00 0.49 -1.02 105.19 116.91 1ugy n GLY 26 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1ugy n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ugy s ASP 27 N -0.42 6.32 -0.16 1.61 1.01 -1.25 -4.34 116.67 119.44 1ugy s ASP 27 Ca 0.00 1.72 -0.07 0.00 0.71 0.00 0.00 52.55 54.91 1ugy s ASP 27 Cb 0.00 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.47 1ugy s ASP 27 CO 0.00 -0.80 0.36 0.12 0.21 0.00 0.00 175.17 175.06 1ugy s PHE 28 N -2.44 -0.60 -0.04 4.23 5.36 -0.02 -2.19 117.98 122.27 1ugy s PHE 28 Ca 0.62 1.24 -0.11 0.00 -0.96 0.00 0.00 56.93 57.72 1ugy s PHE 28 Cb -0.13 0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.75 1ugy s PHE 28 CO 0.30 -0.39 0.25 -1.14 -1.46 0.00 0.00 175.22 172.78 1ugy s GLN 29 N 2.14 0.49 -0.00 10.12 0.74 0.32 -1.86 119.66 131.60 1ugy s GLN 29 Ca -0.04 -0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.39 1ugy s GLN 29 Cb -0.11 0.22 -0.01 0.00 1.10 0.00 0.00 33.01 34.21 1ugy s GLN 29 CO -0.11 -0.11 -0.13 0.08 -0.55 0.00 0.00 175.29 174.46 1ugy s VAL 30 N -0.79 1.06 -0.40 1.34 1.01 -1.26 -0.46 120.40 120.90 1ugy s VAL 30 Ca -0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1ugy s VAL 30 Cb -0.05 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.51 1ugy s VAL 30 CO 0.02 0.26 0.23 -0.69 0.00 0.00 0.00 175.10 174.93 1ugy s VAL 31 N -0.38 4.24 0.74 2.92 1.01 0.14 -1.40 120.40 127.68 1ugy s VAL 31 Ca 0.05 -1.27 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 1ugy s VAL 31 Cb -0.05 -3.54 0.12 0.00 0.00 0.00 0.00 36.38 32.91 1ugy s VAL 31 CO -0.00 -0.42 1.03 -0.31 0.00 0.00 0.00 175.10 175.39 1ugy s TYR 32 N 1.45 1.98 -0.12 5.22 1.51 -0.14 -0.95 117.35 126.29 1ugy s TYR 32 Ca 0.02 -0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 1ugy s TYR 32 Cb -0.22 -3.20 -0.02 0.00 -0.11 0.00 0.00 41.96 38.42 1ugy s TYR 32 CO 0.03 -1.72 -0.14 0.34 -1.11 0.00 0.00 175.55 172.95 1ugy s ASP 33 N -4.69 3.97 -0.38 2.29 2.15 -0.49 -0.63 116.67 118.91 1ugy s ASP 33 Ca 0.65 -0.32 0.04 0.00 0.43 0.00 0.00 52.55 53.35 1ugy s ASP 33 Cb -0.07 -1.50 0.11 0.00 -0.30 0.00 0.00 42.92 41.16 1ugy s ASP 33 CO 0.45 0.19 0.10 -0.22 -0.17 0.00 0.00 175.17 175.52 1ugy s LEU 34 N 0.21 4.53 -1.47 -1.34 2.96 0.21 -1.33 118.68 122.44 1ugy s LEU 34 Ca -0.08 -2.31 -0.11 0.00 -0.22 0.00 0.00 54.13 51.40 1ugy s LEU 34 Cb -0.15 -1.59 0.07 0.00 0.50 0.00 0.00 46.19 45.02 1ugy s LEU 34 CO 0.05 -0.35 0.79 0.59 -1.32 0.00 0.00 176.35 176.11 1ugy n ASN 35 N 4.04 -4.69 0.00 3.68 5.03 -1.26 -1.72 115.26 120.34 1ugy n ASN 35 Ca 0.04 -0.60 0.00 0.00 0.87 0.00 0.00 54.58 54.89 1ugy n ASN 35 Cb 0.40 -3.78 0.00 0.00 -1.02 0.00 0.00 39.78 35.37 1ugy n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ugy n GLY 36 N -1.52 0.20 3.47 7.41 0.00 -1.26 -5.08 105.19 108.41 1ugy n GLY 36 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ugy n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugy s SER 37 N -2.09 3.87 0.36 1.61 0.01 -0.70 -5.10 113.70 111.66 1ugy s SER 37 Ca 0.00 -0.45 -0.27 0.00 1.31 0.00 0.00 55.95 56.55 1ugy s SER 37 Cb 0.00 -0.62 -0.09 0.00 0.21 0.00 0.00 66.02 65.52 1ugy s SER 37 CO 0.00 0.24 1.19 -2.84 0.41 0.00 0.00 173.24 172.24 1ugy s PRO 38 N -1.62 4.22 -0.12 12.44 0.02 -1.26 0.66 135.00 149.33 1ugy s PRO 38 Ca 0.16 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 63.08 1ugy s PRO 38 Cb -0.11 -2.86 0.04 0.00 0.02 0.00 0.00 34.50 31.60 1ugy s PRO 38 CO 0.07 -0.20 0.02 -0.47 -0.33 0.00 0.00 177.00 176.09 1ugy s TYR 39 N -1.30 0.76 -0.29 6.54 6.14 0.20 -4.79 117.35 124.61 1ugy s TYR 39 Ca 0.53 -0.43 -0.27 0.00 0.64 0.00 0.00 57.07 57.53 1ugy s TYR 39 Cb -0.33 -0.87 0.01 0.00 0.42 0.00 0.00 41.96 41.18 1ugy s TYR 39 CO 0.43 -0.45 0.98 0.08 0.64 0.00 0.00 175.55 177.23 1ugy s VAL 40 N 1.95 4.64 0.62 3.14 1.01 -1.26 -0.97 120.40 129.53 1ugy s VAL 40 Ca 0.03 1.67 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 1ugy s VAL 40 Cb -0.14 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1ugy s VAL 40 CO -0.07 -0.32 1.03 -0.83 0.00 0.00 0.00 175.10 174.91 1ugy s GLY 41 N 1.51 1.68 0.46 4.51 0.00 -0.49 -4.99 107.32 110.00 1ugy s GLY 41 Ca 0.41 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.83 1ugy s GLY 41 CO 0.12 0.22 1.36 -1.06 0.00 0.00 0.00 173.10 173.75 1ugy n GLN 42 N -2.74 2.04 -2.96 2.90 1.13 -1.26 -4.65 117.38 111.84 1ugy n GLN 42 Ca 0.06 0.73 -0.41 0.00 -1.94 0.00 0.00 57.00 55.44 1ugy n GLN 42 Cb 0.54 -2.54 -0.05 0.00 0.11 0.00 0.00 30.24 28.30 1ugy n GLN 42 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ugy s ASN 43 N -0.57 6.79 -0.49 1.08 3.84 -1.26 -4.61 114.94 119.72 1ugy s ASN 43 Ca 0.63 0.98 -0.15 0.00 0.21 0.00 0.00 52.86 54.53 1ugy s ASN 43 Cb -0.46 -2.41 0.09 0.00 -0.55 0.00 0.00 41.25 37.92 1ugy s ASN 43 CO 0.56 -0.43 0.42 -1.00 -2.79 0.00 0.00 177.10 173.86 1ugy s HIS 44 N 2.50 3.25 0.11 0.43 3.76 -0.78 -5.00 115.29 119.55 1ugy s HIS 44 Ca 0.33 -1.05 0.01 0.00 -0.15 0.00 0.00 55.06 54.21 1ugy s HIS 44 Cb -0.16 -3.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.16 1ugy s HIS 44 CO 0.09 -0.86 0.24 0.15 -0.85 0.00 0.00 174.74 173.51 1ugy s LYS 45 N 1.62 3.40 0.72 1.40 1.02 -1.26 -0.84 119.74 125.80 1ugy s LYS 45 Ca 0.04 -0.54 -0.13 0.00 0.02 0.00 0.00 55.97 55.36 1ugy s LYS 45 Cb -0.26 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.10 1ugy s LYS 45 CO 0.05 0.56 1.12 0.45 -0.92 0.00 0.00 175.35 176.62 1ugy s SER 46 N -2.87 4.65 0.40 2.83 0.15 -1.26 -4.86 113.70 112.74 1ugy s SER 46 Ca 0.34 2.02 0.28 0.00 0.70 0.00 0.00 55.95 59.29 1ugy s SER 46 Cb -0.12 -2.55 1.01 0.00 -1.71 0.00 0.00 66.02 62.65 1ugy s SER 46 CO 0.28 -1.94 1.81 -0.26 1.20 0.00 0.00 173.24 174.33 1ugy h PHE 47 N -0.46 0.00 -1.10 3.44 0.04 -1.33 -3.45 116.94 114.07 1ugy h PHE 47 Ca -0.46 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 59.67 1ugy h PHE 47 Cb 1.25 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.27 1ugy h PHE 47 CO 0.54 0.00 -0.51 0.96 -0.60 0.00 0.00 178.31 178.70 1ugy s ILE 48 N -3.41 0.92 0.05 -0.55 -4.36 -1.26 -5.05 121.20 107.53 1ugy s ILE 48 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1ugy s ILE 48 Cb 0.09 -2.18 -0.00 0.00 1.25 0.00 0.00 42.46 41.62 1ugy s ILE 48 CO 0.52 0.00 0.00 0.35 0.24 0.00 0.00 174.94 176.05 1ugy n THR 49 N -1.16 0.00 -0.15 8.37 -2.24 -1.26 -4.93 114.28 112.91 1ugy n THR 49 Ca -0.15 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1ugy n THR 49 Cb 0.66 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1ugy n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugy n GLY 50 N 4.28 1.06 3.95 3.38 0.00 -1.26 -5.10 105.19 111.51 1ugy n GLY 50 Ca -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1ugy n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugy s PHE 51 N -2.00 3.30 -0.26 1.61 0.08 -1.26 -4.82 117.98 114.63 1ugy s PHE 51 Ca 0.00 -0.09 -0.09 0.00 0.12 0.00 0.00 56.93 56.87 1ugy s PHE 51 Cb 0.00 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1ugy s PHE 51 CO 0.00 0.33 0.12 0.99 -0.10 0.00 0.00 175.22 176.55 1ugy s THR 52 N -2.06 4.72 0.44 0.64 2.01 0.14 -4.83 115.64 116.69 1ugy s THR 52 Ca 0.37 -0.03 -0.22 0.00 0.31 0.00 0.00 61.69 62.11 1ugy s THR 52 Cb -0.09 -3.22 -0.09 0.00 0.01 0.00 0.00 72.50 69.11 1ugy s THR 52 CO 0.29 0.31 1.06 -2.16 -0.69 0.00 0.00 174.62 173.42 1ugy s PRO 53 N 1.65 3.97 -0.03 4.92 0.04 -1.26 -1.69 135.00 142.60 1ugy s PRO 53 Ca 0.07 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1ugy s PRO 53 Cb -0.15 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 32.07 1ugy s PRO 53 CO 0.07 -0.30 0.00 0.08 0.04 0.00 0.00 177.00 176.89 1ugy s VAL 54 N -1.78 0.14 -0.22 -0.36 1.01 0.25 -4.95 120.40 114.50 1ugy s VAL 54 Ca 0.62 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 1ugy s VAL 54 Cb -0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1ugy s VAL 54 CO 0.25 0.13 -0.04 -0.75 0.00 0.00 0.00 175.10 174.69 1ugy s LYS 55 N 0.98 3.39 -0.45 2.72 2.20 -1.26 -1.35 119.74 125.97 1ugy s LYS 55 Ca -0.10 -0.62 -0.09 0.00 -0.36 0.00 0.00 55.97 54.80 1ugy s LYS 55 Cb -0.13 -3.00 0.10 0.00 -1.51 0.00 0.00 37.83 33.29 1ugy s LYS 55 CO -0.02 -0.17 0.31 0.42 -0.36 0.00 0.00 175.35 175.53 1ugy s ILE 56 N 1.41 4.22 -0.39 5.43 1.01 0.84 -4.99 121.20 128.72 1ugy s ILE 56 Ca 0.05 -1.62 -0.15 0.00 0.00 0.00 0.00 60.65 58.93 1ugy s ILE 56 Cb -0.14 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.64 1ugy s ILE 56 CO -0.03 -0.66 0.32 -0.55 0.00 0.00 0.00 174.94 174.03 1ugy s SER 57 N 2.43 6.13 0.22 3.58 0.15 -1.26 -1.42 113.70 123.53 1ugy s SER 57 Ca 0.05 -0.71 -0.14 0.00 0.70 0.00 0.00 55.95 55.85 1ugy s SER 57 Cb -0.25 -2.17 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1ugy s SER 57 CO 0.00 -0.43 0.62 -0.76 1.20 0.00 0.00 173.24 173.87 1ugy s LEU 58 N 1.82 4.22 -1.41 3.45 1.43 -0.64 -4.98 118.68 122.58 1ugy s LEU 58 Ca 0.07 1.12 -0.08 0.00 -1.03 0.00 0.00 54.13 54.22 1ugy s LEU 58 Cb -0.18 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.47 1ugy s LEU 58 CO 0.11 -0.03 2.45 -0.67 0.23 0.00 0.00 176.35 178.44 1ugy n ASP 59 N 0.23 7.49 -4.73 2.29 2.03 -1.26 -4.86 116.55 117.74 1ugy n ASP 59 Ca -0.01 -2.96 -0.42 0.00 0.52 0.00 0.00 54.79 51.91 1ugy n ASP 59 Cb 0.52 -1.45 -0.01 0.00 -0.72 0.00 0.00 41.12 39.46 1ugy n ASP 59 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1ugy n PHE 60 N 2.86 2.60 0.27 -0.67 7.35 -1.26 -2.09 117.46 126.52 1ugy n PHE 60 Ca 0.63 0.46 0.12 0.00 -0.76 0.00 0.00 57.45 57.89 1ugy n PHE 60 Cb 0.27 -2.49 0.21 0.00 0.35 0.00 0.00 39.48 37.82 1ugy n PHE 60 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1ugy n PRO 61 N 0.92 2.49 0.22 -7.13 -0.04 -1.26 -4.87 135.00 125.33 1ugy n PRO 61 Ca 0.05 -2.29 0.10 0.00 -0.04 0.00 0.00 63.50 61.32 1ugy n PRO 61 Cb 0.37 -1.51 0.35 0.00 -0.04 0.00 0.00 33.50 32.66 1ugy n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ugy h SER 62 N 4.40 0.00 -3.33 3.54 4.64 -1.89 -3.42 113.55 117.48 1ugy h SER 62 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1ugy h SER 62 Cb 0.98 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.82 1ugy h SER 62 CO 0.00 0.19 -0.71 -0.70 -0.87 0.00 0.00 176.83 174.74 1ugy s GLU 63 N -3.41 3.51 0.06 4.77 2.12 -0.89 -4.96 118.70 119.90 1ugy s GLU 63 Ca 0.03 -0.60 -0.09 0.00 0.36 0.00 0.00 54.97 54.67 1ugy s GLU 63 Cb 0.08 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.64 1ugy s GLU 63 CO 0.65 0.15 0.20 1.52 -0.54 0.00 0.00 175.26 177.24 1ugy s TYR 64 N 0.57 0.08 0.28 5.30 1.13 -1.26 -4.29 117.35 119.15 1ugy s TYR 64 Ca -0.05 -0.38 -0.30 0.00 -1.41 0.00 0.00 57.07 54.94 1ugy s TYR 64 Cb -0.15 -0.04 -0.11 0.00 -1.10 0.00 0.00 41.96 40.57 1ugy s TYR 64 CO 0.03 -0.47 1.50 0.42 -2.51 0.00 0.00 175.55 174.52 1ugy s ILE 65 N -3.03 2.39 -0.01 -3.49 -1.09 -1.26 -2.43 121.20 112.27 1ugy s ILE 65 Ca -0.01 0.33 0.03 0.00 -2.23 0.00 0.00 60.65 58.77 1ugy s ILE 65 Cb 0.01 -3.21 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 1ugy s ILE 65 CO -0.06 0.05 0.07 0.23 -1.23 0.00 0.00 174.94 174.00 1ugy n MET 66 N 2.14 0.34 -3.64 2.79 2.81 0.15 -4.81 117.12 116.90 1ugy n MET 66 Ca 0.07 -0.03 -0.10 0.00 -1.81 0.00 0.00 57.70 55.83 1ugy n MET 66 Cb 0.39 -1.05 -0.07 0.00 -0.71 0.00 0.00 33.22 31.78 1ugy n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ugy s GLU 67 N -2.17 0.70 -0.09 0.03 2.12 -0.92 -0.57 118.70 117.80 1ugy s GLU 67 Ca -0.01 0.94 0.04 0.00 0.36 0.00 0.00 54.97 56.31 1ugy s GLU 67 Cb 0.02 0.28 -0.00 0.00 0.26 0.00 0.00 34.13 34.69 1ugy s GLU 67 CO 0.13 -0.10 -0.23 0.08 -0.54 0.00 0.00 175.26 174.59 1ugy s VAL 68 N 0.73 2.17 0.20 3.70 1.01 -0.94 -1.29 120.40 125.98 1ugy s VAL 68 Ca -0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 1ugy s VAL 68 Cb -0.05 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1ugy s VAL 68 CO -0.07 0.56 0.22 -0.94 0.00 0.00 0.00 175.10 174.87 1ugy s SER 69 N 0.19 0.10 0.00 3.32 1.04 -0.81 0.01 113.70 117.55 1ugy s SER 69 Ca -0.14 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1ugy s SER 69 Cb -0.17 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1ugy s SER 69 CO 0.07 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1ugy n GLY 70 N -0.27 -0.64 2.96 7.32 0.00 -0.53 -0.49 105.19 113.53 1ugy n GLY 70 Ca -0.01 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1ugy n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugy s TYR 71 N -3.38 -0.12 -0.09 1.61 1.51 -0.96 -2.19 117.35 113.73 1ugy s TYR 71 Ca 0.00 0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.40 1ugy s TYR 71 Cb 0.00 -0.01 -0.03 0.00 -0.11 0.00 0.00 41.96 41.82 1ugy s TYR 71 CO 0.00 -0.09 -0.08 0.95 -1.11 0.00 0.00 175.55 175.22 1ugy s THR 72 N 0.40 3.55 0.37 -0.71 -4.23 0.18 -0.29 115.64 114.91 1ugy s THR 72 Ca -0.03 -0.52 -0.09 0.00 -1.18 0.00 0.00 61.69 59.87 1ugy s THR 72 Cb -0.04 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1ugy s THR 72 CO -0.02 0.57 0.64 -0.83 -0.54 0.00 0.00 174.62 174.44 1ugy s GLY 73 N -0.49 0.93 -0.11 3.99 0.00 -0.16 -1.04 107.32 110.43 1ugy s GLY 73 Ca 0.07 -1.13 -0.15 0.00 0.00 0.00 0.00 44.72 43.50 1ugy s GLY 73 CO 0.02 -0.65 0.38 0.21 0.00 0.00 0.00 173.10 173.06 1ugy s ASN 74 N -3.15 6.59 -0.09 1.64 3.84 -1.26 -0.37 114.94 122.14 1ugy s ASN 74 Ca 0.23 0.70 -0.02 0.00 0.21 0.00 0.00 52.86 53.98 1ugy s ASN 74 Cb -0.03 -2.23 0.03 0.00 -0.55 0.00 0.00 41.25 38.48 1ugy s ASN 74 CO 0.16 0.11 0.02 -0.69 -2.79 0.00 0.00 177.10 173.91 1ugy s VAL 75 N 0.20 0.32 -1.32 -5.21 1.01 0.10 -4.83 120.40 110.67 1ugy s VAL 75 Ca 0.21 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1ugy s VAL 75 Cb -0.14 -0.56 0.08 0.00 0.00 0.00 0.00 36.38 35.76 1ugy s VAL 75 CO 0.08 0.16 0.53 -1.20 0.00 0.00 0.00 175.10 174.66 1ugy n SER 76 N 5.16 -3.67 0.00 3.32 7.64 -1.26 -1.13 113.62 123.68 1ugy n SER 76 Ca -0.07 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1ugy n SER 76 Cb 0.50 -3.03 0.00 0.00 -1.01 0.00 0.00 64.21 60.66 1ugy n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugy n GLY 77 N -1.20 0.68 3.27 0.23 0.00 -1.26 -5.07 105.19 101.85 1ugy n GLY 77 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ugy n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugy s TYR 78 N -2.63 2.08 -0.24 1.61 2.02 -0.29 -5.10 117.35 114.80 1ugy s TYR 78 Ca 0.00 -0.39 -0.24 0.00 -0.37 0.00 0.00 57.07 56.07 1ugy s TYR 78 Cb 0.00 -1.32 -0.01 0.00 -0.40 0.00 0.00 41.96 40.24 1ugy s TYR 78 CO 0.00 0.00 0.79 0.08 -1.57 0.00 0.00 175.55 174.85 1ugy s VAL 79 N -0.61 4.86 0.21 0.71 1.01 -1.26 0.02 120.40 125.35 1ugy s VAL 79 Ca 0.09 1.49 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 1ugy s VAL 79 Cb -0.09 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1ugy s VAL 79 CO -0.00 -0.05 0.11 0.68 0.00 0.00 0.00 175.10 175.84 1ugy s VAL 80 N 2.76 0.19 -0.51 2.92 -7.23 0.50 -4.76 120.40 114.27 1ugy s VAL 80 Ca 0.33 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.24 1ugy s VAL 80 Cb -0.15 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.31 1ugy s VAL 80 CO 0.08 -0.03 1.03 -0.69 -0.31 0.00 0.00 175.10 175.18 1ugy s VAL 81 N -4.02 4.29 -0.29 1.32 1.01 0.25 -0.99 120.40 121.98 1ugy s VAL 81 Ca 0.38 0.78 0.21 0.00 0.00 0.00 0.00 61.98 63.34 1ugy s VAL 81 Cb 0.07 -4.56 0.13 0.00 0.00 0.00 0.00 36.38 32.02 1ugy s VAL 81 CO 0.12 -1.05 1.31 0.03 0.00 0.00 0.00 175.10 175.51 1ugy h ARG 82 N 9.27 0.00 -2.79 2.72 3.08 -0.95 -2.90 114.38 122.81 1ugy h ARG 82 Ca -0.24 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 1ugy h ARG 82 Cb 1.07 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.95 1ugy h ARG 82 CO 1.10 0.11 -0.03 0.45 -1.07 0.00 0.00 179.97 180.54 1ugy s SER 83 N -5.93 -0.39 0.00 7.04 0.15 -1.11 -1.39 113.70 112.07 1ugy s SER 83 Ca 0.03 0.17 -0.06 0.00 0.70 0.00 0.00 55.95 56.80 1ugy s SER 83 Cb 0.07 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1ugy s SER 83 CO 0.74 -0.66 0.10 -0.76 1.20 0.00 0.00 173.24 173.86 1ugy s LEU 84 N -1.82 1.69 -0.04 3.45 1.43 -0.98 -2.27 118.68 120.13 1ugy s LEU 84 Ca -0.07 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1ugy s LEU 84 Cb -0.01 0.53 0.03 0.00 0.03 0.00 0.00 46.19 46.77 1ugy s LEU 84 CO 0.00 -0.32 0.09 -0.89 0.23 0.00 0.00 176.35 175.46 1ugy s THR 85 N -1.24 -0.03 -0.14 5.49 2.01 0.35 -1.72 115.64 120.36 1ugy s THR 85 Ca -0.13 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1ugy s THR 85 Cb -0.07 -0.16 -0.00 0.00 0.01 0.00 0.00 72.50 72.28 1ugy s THR 85 CO 0.01 0.05 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.45 1ugy s PHE 86 N 0.76 2.72 -0.17 4.92 0.40 0.07 -1.92 117.98 124.77 1ugy s PHE 86 Ca -0.06 -1.06 -0.00 0.00 -0.60 0.00 0.00 56.93 55.20 1ugy s PHE 86 Cb -0.08 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.61 1ugy s PHE 86 CO -0.03 -0.47 -0.14 0.21 0.70 0.00 0.00 175.22 175.49 1ugy s LYS 87 N 0.68 3.21 0.56 0.44 2.20 -0.41 0.17 119.74 126.59 1ugy s LYS 87 Ca -0.09 -0.74 0.06 0.00 -0.36 0.00 0.00 55.97 54.84 1ugy s LYS 87 Cb -0.16 -2.68 0.05 0.00 -1.51 0.00 0.00 37.83 33.53 1ugy s LYS 87 CO 0.02 -0.06 0.45 0.95 -0.36 0.00 0.00 175.35 176.35 1ugy s THR 88 N 1.00 1.57 -1.77 3.43 -4.23 0.17 0.29 115.64 116.11 1ugy s THR 88 Ca -0.02 -1.45 0.20 0.00 -1.18 0.00 0.00 61.69 59.24 1ugy s THR 88 Cb -0.15 -2.03 0.49 0.00 1.34 0.00 0.00 72.50 72.16 1ugy s THR 88 CO -0.03 0.00 1.61 -0.46 -0.54 0.00 0.00 174.62 175.21 1ugy n ASN 89 N -1.85 0.00 -0.03 3.99 6.94 -1.02 -3.40 115.26 119.89 1ugy n ASN 89 Ca -0.01 -0.38 -0.04 0.00 -0.02 0.00 0.00 54.58 54.14 1ugy n ASN 89 Cb 0.64 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.91 1ugy n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ugy n LYS 90 N -1.11 1.92 -3.35 -3.83 5.02 -1.26 -5.06 118.16 110.49 1ugy n LYS 90 Ca 0.13 0.01 -0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1ugy n LYS 90 Cb 0.11 -1.14 0.02 0.00 -0.02 0.00 0.00 35.03 33.99 1ugy n LYS 90 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ugy n LYS 91 N -2.40 0.51 -4.88 1.97 0.00 -1.22 -5.16 118.16 106.98 1ugy n LYS 91 Ca -0.10 -1.17 -0.33 0.00 -0.00 0.00 0.00 58.31 56.71 1ugy n LYS 91 Cb 0.66 1.58 -0.14 0.00 -0.00 0.00 0.00 35.03 37.13 1ugy n LYS 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ugy s THR 92 N -2.17 2.91 -0.22 0.58 2.01 -1.26 -0.65 115.64 116.84 1ugy s THR 92 Ca 0.18 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1ugy s THR 92 Cb -0.02 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1ugy s THR 92 CO 0.04 0.55 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.11 1ugy s TYR 93 N 0.02 2.94 0.00 4.92 1.51 0.13 -5.00 117.35 121.87 1ugy s TYR 93 Ca -0.05 -1.38 0.00 0.00 -1.01 0.00 0.00 57.07 54.63 1ugy s TYR 93 Cb -0.15 -2.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1ugy s TYR 93 CO 0.04 -0.69 0.00 0.41 -1.11 0.00 0.00 175.55 174.20 1ugy n GLY 94 N 4.69 -0.17 3.77 0.71 0.00 -1.26 -0.75 105.19 112.18 1ugy n GLY 94 Ca -0.18 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.26 1ugy n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugy s PRO 95 N 0.00 2.95 -0.06 1.61 0.04 -1.26 -4.99 135.00 133.28 1ugy s PRO 95 Ca 0.00 1.46 0.05 0.00 0.04 0.00 0.00 61.00 62.55 1ugy s PRO 95 Cb 0.00 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1ugy s PRO 95 CO 0.00 -1.15 -0.23 0.71 0.04 0.00 0.00 177.00 176.37 1ugy s TYR 96 N -2.17 2.30 0.00 0.56 2.02 -0.70 -4.99 117.35 114.36 1ugy s TYR 96 Ca 0.69 -0.74 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1ugy s TYR 96 Cb -0.22 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1ugy s TYR 96 CO 0.37 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 1ugy n GLY 97 N 3.12 -0.63 3.46 0.71 0.00 -1.26 -2.33 105.19 108.26 1ugy n GLY 97 Ca -0.18 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 1ugy n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ugy s VAL 98 N 0.00 4.67 -1.39 1.61 1.01 -0.49 -4.85 120.40 120.96 1ugy s VAL 98 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1ugy s VAL 98 Cb 0.00 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 33.13 1ugy s VAL 98 CO 0.00 0.11 2.13 0.35 0.00 0.00 0.00 175.10 177.70 1ugy n THR 99 N 4.99 3.92 -3.74 3.92 -2.24 -1.26 -3.97 114.28 115.90 1ugy n THR 99 Ca -0.14 -3.59 -0.12 0.00 -2.27 0.00 0.00 64.05 57.93 1ugy n THR 99 Cb 0.50 -2.49 -0.11 0.00 -2.10 0.00 0.00 70.33 66.13 1ugy n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ugy s SER 100 N 2.10 -0.38 0.00 3.42 0.15 -1.26 -5.11 113.70 112.62 1ugy s SER 100 Ca 0.45 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1ugy s SER 100 Cb 0.13 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1ugy s SER 100 CO -0.05 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1ugy n GLY 101 N 3.42 0.18 3.52 9.45 0.00 -1.26 -4.59 105.19 115.92 1ugy n GLY 101 Ca -0.17 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 1ugy n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugy s THR 102 N -1.47 4.85 0.56 2.61 2.01 -0.21 -4.90 115.64 119.09 1ugy s THR 102 Ca 0.00 0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 1ugy s THR 102 Cb 0.00 -3.30 -0.06 0.00 0.01 0.00 0.00 72.50 69.15 1ugy s THR 102 CO 0.00 0.29 1.00 -2.16 -0.69 0.00 0.00 174.62 173.06 1ugy s PRO 103 N 1.69 3.78 0.03 4.92 0.04 -1.26 -0.65 135.00 143.56 1ugy s PRO 103 Ca 0.07 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1ugy s PRO 103 Cb -0.16 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1ugy s PRO 103 CO 0.08 -0.41 0.27 -0.59 0.04 0.00 0.00 177.00 176.38 1ugy s PHE 104 N -2.81 -0.07 -0.27 0.56 -0.12 -0.93 -4.92 117.98 109.42 1ugy s PHE 104 Ca 0.58 -0.05 -0.24 0.00 -0.05 0.00 0.00 56.93 57.16 1ugy s PHE 104 Cb -0.11 0.05 0.07 0.00 -0.63 0.00 0.00 43.02 42.41 1ugy s PHE 104 CO 0.40 -0.45 0.73 0.54 -0.05 0.00 0.00 175.22 176.38 1ugy s ASN 105 N -1.91 -0.75 -0.32 1.98 4.22 -1.26 -1.46 114.94 115.44 1ugy s ASN 105 Ca -0.07 1.44 0.02 0.00 -2.14 0.00 0.00 52.86 52.11 1ugy s ASN 105 Cb -0.02 1.45 0.10 0.00 1.28 0.00 0.00 41.25 44.05 1ugy s ASN 105 CO -0.02 -0.25 0.05 -0.22 -2.04 0.00 0.00 177.10 174.63 1ugy s LEU 106 N 0.47 3.76 0.16 3.54 2.96 0.10 -4.98 118.68 124.69 1ugy s LEU 106 Ca -0.01 -1.90 -0.14 0.00 -0.22 0.00 0.00 54.13 51.87 1ugy s LEU 106 Cb -0.05 -1.35 -0.07 0.00 0.50 0.00 0.00 46.19 45.22 1ugy s LEU 106 CO -0.01 -0.37 0.55 -2.84 -1.32 0.00 0.00 176.35 172.36 1ugy s PRO 107 N 1.17 3.95 -0.18 0.98 0.02 -1.26 -2.22 135.00 137.46 1ugy s PRO 107 Ca 0.09 0.46 0.01 0.00 0.02 0.00 0.00 61.00 61.57 1ugy s PRO 107 Cb -0.18 -2.88 0.01 0.00 0.02 0.00 0.00 34.50 31.46 1ugy s PRO 107 CO -0.13 0.45 -0.18 0.42 -0.33 0.00 0.00 177.00 177.23 1ugy s ILE 108 N -1.52 2.29 -0.05 2.83 1.09 0.26 -4.98 121.20 121.12 1ugy s ILE 108 Ca 0.39 -0.87 -0.07 0.00 -1.10 0.00 0.00 60.65 59.01 1ugy s ILE 108 Cb -0.14 -1.97 -0.29 0.00 -1.06 0.00 0.00 42.46 39.00 1ugy s ILE 108 CO 0.19 0.52 0.67 -0.33 -0.10 0.00 0.00 174.94 175.90 1ugy h GLU 109 N 7.81 0.31 -2.77 2.79 5.08 -1.98 -3.46 114.58 122.35 1ugy h GLU 109 Ca -0.42 -0.53 -0.20 0.00 -1.00 0.00 0.00 59.36 57.22 1ugy h GLU 109 Cb 1.16 0.20 -0.32 0.00 0.50 0.00 0.00 28.75 30.29 1ugy h GLU 109 CO 0.62 1.20 -0.50 1.21 -1.00 0.00 0.00 179.01 180.53 1ugy s ASN 110 N -7.09 0.27 0.00 1.42 3.04 -1.26 -5.13 114.94 106.19 1ugy s ASN 110 Ca -0.14 0.64 0.00 0.00 0.04 0.00 0.00 52.86 53.39 1ugy s ASN 110 Cb 0.06 0.82 0.00 0.00 -1.54 0.00 0.00 41.25 40.59 1ugy s ASN 110 CO 0.84 -0.24 0.00 0.61 -3.04 0.00 0.00 177.10 175.27 1ugy n GLY 111 N 5.36 0.94 3.13 1.21 0.00 -1.26 -5.00 105.19 109.57 1ugy n GLY 111 Ca -0.06 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 1ugy n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugy s LEU 112 N 0.00 1.58 -0.22 0.99 1.43 0.70 -4.97 118.68 118.19 1ugy s LEU 112 Ca 0.00 -0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 52.55 1ugy s LEU 112 Cb 0.00 0.72 -0.02 0.00 0.03 0.00 0.00 46.19 46.92 1ugy s LEU 112 CO 0.00 -0.45 0.68 -0.63 0.23 0.00 0.00 176.35 176.18 1ugy s ILE 113 N -1.98 4.97 0.00 -0.59 1.01 -1.26 -1.24 121.20 122.11 1ugy s ILE 113 Ca -0.10 1.26 0.00 0.00 0.00 0.00 0.00 60.65 61.81 1ugy s ILE 113 Cb -0.04 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1ugy s ILE 113 CO -0.01 0.05 0.92 1.33 0.00 0.00 0.00 174.94 177.23 1ugy n VAL 114 N 4.95 0.85 -3.61 2.92 0.24 0.57 -4.54 118.33 119.71 1ugy n VAL 114 Ca 0.00 -0.90 -0.02 0.00 -2.04 0.00 0.00 64.34 61.39 1ugy n VAL 114 Cb 0.49 0.58 -0.01 0.00 -1.47 0.00 0.00 33.84 33.43 1ugy n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ugy s GLY 115 N -0.85 -0.34 0.04 7.63 0.00 -1.23 -0.76 107.32 111.80 1ugy s GLY 115 Ca 0.00 1.21 0.01 0.00 0.00 0.00 0.00 44.72 45.93 1ugy s GLY 115 CO 0.00 0.36 -0.05 -1.36 0.00 0.00 0.00 173.10 172.05 1ugy s PHE 116 N -2.45 0.45 0.08 1.90 0.08 -1.25 -1.48 117.98 115.31 1ugy s PHE 116 Ca 0.11 -0.61 -0.15 0.00 0.12 0.00 0.00 56.93 56.40 1ugy s PHE 116 Cb 0.01 -0.30 0.03 0.00 -0.57 0.00 0.00 43.02 42.19 1ugy s PHE 116 CO -0.04 -0.18 0.34 -1.59 -0.10 0.00 0.00 175.22 173.65 1ugy s LYS 117 N -1.96 0.94 0.00 0.44 -2.85 -1.07 -1.35 119.74 113.88 1ugy s LYS 117 Ca -0.10 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 1ugy s LYS 117 Cb -0.07 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1ugy s LYS 117 CO -0.02 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1ugy n GLY 118 N 0.15 -0.74 3.49 0.59 0.00 -0.32 -0.89 105.19 107.46 1ugy n GLY 118 Ca -0.17 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1ugy n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugy s SER 119 N -4.00 -0.60 -0.05 1.61 0.15 -0.91 -0.93 113.70 108.97 1ugy s SER 119 Ca 0.00 1.09 -0.01 0.00 0.70 0.00 0.00 55.95 57.74 1ugy s SER 119 Cb 0.00 1.10 0.03 0.00 -1.71 0.00 0.00 66.02 65.44 1ugy s SER 119 CO 0.00 -0.26 0.02 -0.63 1.20 0.00 0.00 173.24 173.57 1ugy s ILE 120 N 0.09 0.17 0.00 6.45 1.01 -0.84 -0.89 121.20 127.19 1ugy s ILE 120 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1ugy s ILE 120 Cb -0.04 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.09 1ugy s ILE 120 CO 0.02 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1ugy n GLY 121 N 4.83 0.96 0.15 6.18 0.00 -1.26 -1.74 105.19 114.31 1ugy n GLY 121 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1ugy n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ugy h TYR 122 N 0.00 0.62 -3.54 1.61 0.99 -1.95 -0.66 116.97 114.04 1ugy h TYR 122 Ca 0.00 -0.36 -0.44 0.00 2.00 0.00 0.00 58.73 59.92 1ugy h TYR 122 Cb 0.00 -0.06 -0.14 0.00 1.00 0.00 0.00 36.73 37.53 1ugy h TYR 122 CO 0.00 1.20 -0.56 -1.58 -0.00 0.00 0.00 178.16 177.22 1ugy s TRP 123 N -3.12 1.67 -0.45 4.88 0.51 -1.26 -4.45 118.94 116.72 1ugy s TRP 123 Ca -0.06 -1.28 -0.28 0.00 -2.12 0.00 0.00 56.10 52.37 1ugy s TRP 123 Cb 0.08 -0.97 -0.02 0.00 -0.81 0.00 0.00 33.47 31.75 1ugy s TRP 123 CO 0.88 -0.39 1.80 -1.17 -0.51 0.00 0.00 176.95 177.55 1ugy s LEU 124 N -3.43 3.43 0.13 2.99 2.96 -0.19 -4.43 118.68 120.14 1ugy s LEU 124 Ca 0.34 0.88 -0.14 0.00 -0.22 0.00 0.00 54.13 54.98 1ugy s LEU 124 Cb 0.05 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 1ugy s LEU 124 CO 0.16 -1.97 1.57 0.44 -1.32 0.00 0.00 176.35 175.24 1ugy h ASP 125 N 13.63 0.75 -5.21 3.68 3.32 -1.31 0.75 116.42 132.01 1ugy h ASP 125 Ca -0.30 -0.31 0.30 0.00 0.02 0.00 0.00 57.03 56.74 1ugy h ASP 125 Cb 1.16 -0.20 -0.15 0.00 0.22 0.00 0.00 39.33 40.37 1ugy h ASP 125 CO 1.11 0.88 0.83 -0.72 -1.72 0.00 0.00 179.24 179.62 1ugy s TYR 126 N -4.98 -0.07 0.09 4.55 -0.85 -1.24 -4.28 117.35 110.58 1ugy s TYR 126 Ca -0.13 -0.01 -0.25 0.00 -0.52 0.00 0.00 57.07 56.16 1ugy s TYR 126 Cb 0.10 0.53 0.07 0.00 0.38 0.00 0.00 41.96 43.05 1ugy s TYR 126 CO 0.80 -0.24 0.60 -0.59 -1.52 0.00 0.00 175.55 174.60 1ugy s PHE 127 N -2.41 -0.54 0.25 -3.49 -0.71 -1.26 -2.13 117.98 107.69 1ugy s PHE 127 Ca 0.12 0.54 0.04 0.00 -1.04 0.00 0.00 56.93 56.59 1ugy s PHE 127 Cb 0.03 0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1ugy s PHE 127 CO -0.04 -0.76 -0.01 -1.12 -1.34 0.00 0.00 175.22 171.95 1ugy s SER 128 N -2.25 2.17 0.04 1.98 0.01 -0.07 -4.97 113.70 110.60 1ugy s SER 128 Ca -0.03 -1.23 0.04 0.00 1.31 0.00 0.00 55.95 56.05 1ugy s SER 128 Cb -0.01 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 1ugy s SER 128 CO -0.06 -0.47 -0.13 -0.04 0.41 0.00 0.00 173.24 172.96 1ugy s MET 129 N -3.82 0.85 -0.13 12.44 -1.94 -1.26 -2.61 119.30 122.83 1ugy s MET 129 Ca 0.29 -0.71 -0.16 0.00 -1.71 0.00 0.00 55.69 53.40 1ugy s MET 129 Cb 0.05 -0.83 -0.04 0.00 2.01 0.00 0.00 34.83 36.02 1ugy s MET 129 CO 0.10 0.20 0.41 0.71 -0.01 0.00 0.00 175.02 176.43 1ugy s TYR 130 N -0.86 3.51 0.05 -0.03 1.51 -0.55 -4.98 117.35 116.01 1ugy s TYR 130 Ca 0.00 0.79 0.09 0.00 -1.01 0.00 0.00 57.07 56.94 1ugy s TYR 130 Cb -0.08 -2.46 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 1ugy s TYR 130 CO 0.01 0.22 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.93 1ugy s LEU 131 N 0.47 2.38 0.29 -1.29 1.43 -1.26 -0.32 118.68 120.38 1ugy s LEU 131 Ca 0.23 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 1ugy s LEU 131 Cb -0.14 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.71 1ugy s LEU 131 CO 0.08 0.25 0.64 -0.55 0.23 0.00 0.00 176.35 177.00 1ugy s SER 132 N -1.43 -0.10 0.00 2.29 0.15 -0.37 -4.92 113.70 109.31 1ugy s SER 132 Ca 0.13 -0.84 0.26 0.00 0.70 0.00 0.00 55.95 56.20 1ugy s SER 132 Cb -0.10 0.70 0.54 0.00 -1.71 0.00 0.00 66.02 65.44 1ugy s SER 132 CO 0.04 -1.33 1.45 0.18 1.20 0.00 0.00 173.24 174.79