#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 4.31 0.41 1.61 2.20 0.12 -4.72 119.74 123.67 1ugy s LYS 2 Ca 0.00 0.82 -0.23 0.00 -0.36 0.00 0.00 55.97 56.20 1ugy s LYS 2 Cb 0.00 -3.53 -0.10 0.00 -1.51 0.00 0.00 37.83 32.69 1ugy s LYS 2 CO 0.00 -0.17 1.00 0.00 -0.36 0.00 0.00 175.35 175.83 1ugy s ALA 3 N 1.62 3.05 0.03 3.13 0.00 -1.26 -1.50 121.76 126.83 1ugy s ALA 3 Ca 0.34 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 1ugy s ALA 3 Cb -0.17 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1ugy s ALA 3 CO 0.13 -0.07 -0.00 -0.59 0.00 0.00 0.00 175.76 175.23 1ugy s PHE 4 N -1.87 0.34 -0.32 0.00 -0.71 -0.11 -4.94 117.98 110.36 1ugy s PHE 4 Ca 0.60 -0.72 0.03 0.00 -1.04 0.00 0.00 56.93 55.80 1ugy s PHE 4 Cb -0.17 -0.25 0.16 0.00 -1.21 0.00 0.00 43.02 41.55 1ugy s PHE 4 CO 0.21 -0.30 0.41 0.34 -1.34 0.00 0.00 175.22 174.54 1ugy s ASP 5 N -2.13 0.57 0.37 1.98 -1.08 -1.26 -0.61 116.67 114.51 1ugy s ASP 5 Ca -0.05 -0.80 0.08 0.00 -0.52 0.00 0.00 52.55 51.26 1ugy s ASP 5 Cb -0.02 0.97 0.73 0.00 -1.46 0.00 0.00 42.92 43.14 1ugy s ASP 5 CO -0.05 -0.31 1.90 0.44 0.52 0.00 0.00 175.17 177.66 1ugy h ASP 6 N 7.75 0.29 -3.58 -0.34 3.32 -1.56 -3.49 116.42 118.81 1ugy h ASP 6 Ca -0.04 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1ugy h ASP 6 Cb 1.10 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1ugy h ASP 6 CO 0.24 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.80 1ugy n GLY 7 N -0.86 -1.77 3.66 2.75 0.00 -1.25 -4.96 105.19 102.77 1ugy n GLY 7 Ca -0.00 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.83 3.22 0.00 4.61 0.00 -1.26 -3.85 121.76 122.65 1ugy s ALA 8 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1ugy s ALA 8 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1ugy s ALA 8 CO 0.00 0.64 0.00 1.19 0.00 0.00 0.00 175.76 177.59 1ugy n PHE 9 N 1.40 0.00 0.67 0.00 3.01 0.24 -5.00 117.46 117.77 1ugy n PHE 9 Ca -0.15 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.39 1ugy n PHE 9 Cb 0.53 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 1ugy n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ugy n THR 10 N 0.00 0.00 -0.75 4.37 -2.24 -0.75 -4.87 114.28 110.04 1ugy n THR 10 Ca 0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1ugy n THR 10 Cb 0.00 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1ugy n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugy n GLY 11 N 1.16 -1.60 3.00 3.38 0.00 -1.15 -4.93 105.19 105.06 1ugy n GLY 11 Ca 0.05 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.22 1.11 -0.23 -0.61 1.01 -1.26 -1.16 121.20 117.83 1ugy s ILE 12 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 1ugy s ILE 12 Cb 0.00 -1.03 -0.15 0.00 0.01 0.00 0.00 42.46 41.29 1ugy s ILE 12 CO 0.00 0.35 -0.22 0.54 0.00 0.00 0.00 174.94 175.61 1ugy n ARG 13 N 3.99 0.57 -3.65 2.79 1.74 -0.04 -4.81 116.66 117.25 1ugy n ARG 13 Ca -0.21 0.15 -0.15 0.00 -0.77 0.00 0.00 57.85 56.86 1ugy n ARG 13 Cb 0.51 -1.45 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.46 0.77 -0.07 5.56 2.12 -0.58 -1.42 118.70 122.62 1ugy s GLU 14 Ca -0.32 0.47 0.05 0.00 0.36 0.00 0.00 54.97 55.53 1ugy s GLU 14 Cb 0.09 0.36 -0.00 0.00 0.26 0.00 0.00 34.13 34.84 1ugy s GLU 14 CO 0.52 -0.16 -0.21 0.42 -0.54 0.00 0.00 175.26 175.29 1ugy s ILE 15 N -0.39 1.78 -0.12 -3.70 1.09 -0.27 0.28 121.20 119.87 1ugy s ILE 15 Ca -0.05 -0.89 0.02 0.00 -1.10 0.00 0.00 60.65 58.62 1ugy s ILE 15 Cb -0.03 -1.53 0.02 0.00 -1.06 0.00 0.00 42.46 39.86 1ugy s ILE 15 CO 0.04 0.50 -0.16 0.20 -0.10 0.00 0.00 174.94 175.42 1ugy s ASN 16 N 0.13 2.54 0.12 3.58 0.01 0.69 0.34 114.94 122.34 1ugy s ASN 16 Ca -0.09 -0.45 -0.11 0.00 -0.71 0.00 0.00 52.86 51.50 1ugy s ASN 16 Cb -0.15 -1.13 0.01 0.00 0.41 0.00 0.00 41.25 40.39 1ugy s ASN 16 CO 0.05 0.01 0.28 -1.48 -1.51 0.00 0.00 177.10 174.45 1ugy s LEU 17 N 1.04 1.00 0.13 0.60 0.05 -0.73 -0.19 118.68 120.58 1ugy s LEU 17 Ca -0.05 -0.62 0.07 0.00 0.05 0.00 0.00 54.13 53.58 1ugy s LEU 17 Cb -0.15 1.32 -0.04 0.00 -2.05 0.00 0.00 46.19 45.27 1ugy s LEU 17 CO -0.03 -0.82 -0.16 -0.94 -0.55 0.00 0.00 176.35 173.85 1ugy s SER 18 N -2.88 2.25 0.28 1.48 1.04 -0.84 -0.67 113.70 114.37 1ugy s SER 18 Ca 0.08 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.70 1ugy s SER 18 Cb 0.03 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1ugy s SER 18 CO -0.08 -0.08 0.32 -0.72 0.98 0.00 0.00 173.24 173.66 1ugy s TYR 19 N -1.91 1.15 -0.04 5.02 1.13 -0.92 -0.09 117.35 121.68 1ugy s TYR 19 Ca 0.10 -1.32 -0.01 0.00 -1.41 0.00 0.00 57.07 54.43 1ugy s TYR 19 Cb -0.06 -0.34 0.03 0.00 -1.10 0.00 0.00 41.96 40.49 1ugy s TYR 19 CO 0.04 -0.89 0.03 1.21 -2.51 0.00 0.00 175.55 173.43 1ugy s ASN 20 N -3.21 0.89 0.00 -0.18 3.84 -0.96 -0.05 114.94 115.27 1ugy s ASN 20 Ca 0.34 0.02 0.02 0.00 0.21 0.00 0.00 52.86 53.44 1ugy s ASN 20 Cb 0.03 -0.21 0.08 0.00 -0.55 0.00 0.00 41.25 40.60 1ugy s ASN 20 CO 0.18 -0.18 0.81 0.29 -2.79 0.00 0.00 177.10 175.40 1ugy n LYS 21 N 4.82 0.03 -0.00 0.43 5.02 -1.26 -2.09 118.16 125.10 1ugy n LYS 21 Ca -0.13 0.23 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1ugy n LYS 21 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1ugy n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ugy n GLU 22 N -1.24 5.98 0.00 1.97 1.02 -1.26 -4.67 120.64 122.43 1ugy n GLU 22 Ca 0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1ugy n GLU 22 Cb 0.01 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 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 -1.08 0.00 -2.68 2.62 -2.24 -0.89 -5.08 114.28 104.93 1ugy n THR 23 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ugy n THR 23 Cb 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -3.00 0.00 -1.76 6.98 0.00 -1.24 -4.64 120.51 116.85 1ugy n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 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 -2.46 3.57 0.00 0.00 -1.09 -1.06 -2.28 121.20 117.87 1ugy s ILE 25 Ca 0.00 1.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 1ugy s ILE 25 Cb 0.00 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1ugy s ILE 25 CO 0.00 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1ugy n GLY 26 N 1.09 -0.09 3.88 6.18 0.00 0.87 -1.52 105.19 115.60 1ugy n GLY 26 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.26 6.57 -0.11 1.61 1.01 -1.24 -4.21 116.67 120.04 1ugy s ASP 27 Ca 0.00 0.98 -0.04 0.00 0.71 0.00 0.00 52.55 54.19 1ugy s ASP 27 Cb 0.00 -2.25 0.05 0.00 1.01 0.00 0.00 42.92 41.73 1ugy s ASP 27 CO 0.00 -0.22 0.22 0.12 0.21 0.00 0.00 175.17 175.51 1ugy s PHE 28 N -2.07 -0.32 -0.06 4.23 5.36 -0.12 -1.99 117.98 123.02 1ugy s PHE 28 Ca 0.49 0.79 -0.07 0.00 -0.96 0.00 0.00 56.93 57.18 1ugy s PHE 28 Cb -0.11 -0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.51 1ugy s PHE 28 CO 0.26 -0.29 0.18 -1.14 -1.46 0.00 0.00 175.22 172.77 1ugy s GLN 29 N 1.99 0.25 -0.02 10.12 -0.44 0.73 -1.75 119.66 130.56 1ugy s GLN 29 Ca -0.02 0.18 0.03 0.00 -2.50 0.00 0.00 55.36 53.05 1ugy s GLN 29 Cb -0.12 0.12 -0.00 0.00 -1.64 0.00 0.00 33.01 31.37 1ugy s GLN 29 CO -0.08 -0.04 -0.10 0.08 0.50 0.00 0.00 175.29 175.65 1ugy s VAL 30 N -0.08 0.84 -0.38 1.34 1.01 -1.26 -0.22 120.40 121.65 1ugy s VAL 30 Ca -0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1ugy s VAL 30 Cb -0.02 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.68 1ugy s VAL 30 CO 0.00 0.25 0.21 -0.69 0.00 0.00 0.00 175.10 174.87 1ugy s VAL 31 N -0.10 4.48 0.52 2.92 1.01 0.14 -1.52 120.40 127.85 1ugy s VAL 31 Ca 0.02 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1ugy s VAL 31 Cb -0.06 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1ugy s VAL 31 CO -0.00 -0.28 0.74 -0.31 0.00 0.00 0.00 175.10 175.24 1ugy s TYR 32 N 1.53 2.93 -0.13 5.22 1.51 0.09 -0.86 117.35 127.63 1ugy s TYR 32 Ca 0.02 0.01 -0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1ugy s TYR 32 Cb -0.20 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 1ugy s TYR 32 CO 0.06 -0.73 0.07 0.34 -1.11 0.00 0.00 175.55 174.18 1ugy s ASP 33 N -4.37 5.78 -0.39 2.29 2.15 -0.31 0.25 116.67 122.07 1ugy s ASP 33 Ca 0.55 0.23 0.02 0.00 0.43 0.00 0.00 52.55 53.78 1ugy s ASP 33 Cb -0.10 -1.86 0.12 0.00 -0.30 0.00 0.00 42.92 40.78 1ugy s ASP 33 CO 0.38 0.31 0.17 -0.22 -0.17 0.00 0.00 175.17 175.63 1ugy s LEU 34 N -0.45 3.16 -1.42 -1.34 2.96 0.14 -1.81 118.68 119.93 1ugy s LEU 34 Ca 0.10 -2.31 -0.07 0.00 -0.22 0.00 0.00 54.13 51.63 1ugy s LEU 34 Cb -0.12 -1.18 0.04 0.00 0.50 0.00 0.00 46.19 45.44 1ugy s LEU 34 CO 0.02 -0.33 0.87 0.59 -1.32 0.00 0.00 176.35 176.19 1ugy n ASN 35 N 3.99 -3.27 0.00 3.68 5.03 -1.26 -2.23 115.26 121.19 1ugy n ASN 35 Ca 0.04 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.71 1ugy n ASN 35 Cb 0.38 -4.05 0.00 0.00 -1.02 0.00 0.00 39.78 35.09 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 -1.66 0.83 3.37 7.41 0.00 -1.26 -5.06 105.19 108.83 1ugy n GLY 36 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.69 3.22 0.14 1.61 0.01 -0.95 -5.11 113.70 109.92 1ugy s SER 37 Ca 0.00 -0.72 -0.30 0.00 1.31 0.00 0.00 55.95 56.24 1ugy s SER 37 Cb 0.00 -0.22 -0.08 0.00 0.21 0.00 0.00 66.02 65.93 1ugy s SER 37 CO 0.00 0.18 1.27 -2.84 0.41 0.00 0.00 173.24 172.26 1ugy s PRO 38 N -1.91 4.41 -0.20 12.44 0.02 -1.26 0.26 135.00 148.77 1ugy s PRO 38 Ca 0.13 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.10 1ugy s PRO 38 Cb -0.10 -3.26 0.04 0.00 0.02 0.00 0.00 34.50 31.20 1ugy s PRO 38 CO 0.05 -0.26 -0.10 -0.47 -0.33 0.00 0.00 177.00 175.89 1ugy s TYR 39 N 0.58 2.43 -0.41 6.54 6.14 0.14 -4.85 117.35 127.91 1ugy s TYR 39 Ca 0.58 -1.60 -0.27 0.00 0.64 0.00 0.00 57.07 56.42 1ugy s TYR 39 Cb -0.34 -1.65 0.02 0.00 0.42 0.00 0.00 41.96 40.42 1ugy s TYR 39 CO 0.33 -0.75 1.02 0.08 0.64 0.00 0.00 175.55 176.88 1ugy s VAL 40 N 1.39 4.42 0.70 3.14 1.01 -1.26 -0.73 120.40 129.06 1ugy s VAL 40 Ca -0.01 1.22 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 1ugy s VAL 40 Cb -0.16 -4.46 0.01 0.00 0.00 0.00 0.00 36.38 31.77 1ugy s VAL 40 CO -0.08 -0.74 1.07 -0.83 0.00 0.00 0.00 175.10 174.52 1ugy s GLY 41 N 2.10 1.64 0.69 4.51 0.00 -0.58 -5.00 107.32 110.69 1ugy s GLY 41 Ca 0.43 -0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.82 1ugy s GLY 41 CO 0.24 0.18 1.24 1.20 0.00 0.00 0.00 173.10 175.96 1ugy s GLN 42 N -5.21 2.38 -0.26 2.90 -0.21 -1.26 -4.62 119.66 113.38 1ugy s GLN 42 Ca 0.58 1.88 -0.20 0.00 0.02 0.00 0.00 55.36 57.63 1ugy s GLN 42 Cb -0.12 -1.85 -0.02 0.00 1.00 0.00 0.00 33.01 32.02 1ugy s GLN 42 CO 0.53 -1.68 0.62 1.21 -2.12 0.00 0.00 175.29 173.85 1ugy s ASN 43 N -1.75 6.55 -0.43 5.90 2.47 -1.26 -4.53 114.94 121.88 1ugy s ASN 43 Ca 0.78 0.65 -0.17 0.00 0.42 0.00 0.00 52.86 54.53 1ugy s ASN 43 Cb -0.32 -2.33 0.03 0.00 -1.45 0.00 0.00 41.25 37.18 1ugy s ASN 43 CO 0.42 -0.38 0.45 -1.00 -3.72 0.00 0.00 177.10 172.87 1ugy s HIS 44 N 2.50 3.17 0.20 0.43 3.76 -0.71 -5.01 115.29 119.62 1ugy s HIS 44 Ca 0.25 -0.44 0.07 0.00 -0.15 0.00 0.00 55.06 54.79 1ugy s HIS 44 Cb -0.15 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 1ugy s HIS 44 CO 0.09 -0.74 0.10 0.15 -0.85 0.00 0.00 174.74 173.49 1ugy s LYS 45 N 2.14 2.72 0.55 1.40 1.02 -1.26 -0.94 119.74 125.36 1ugy s LYS 45 Ca 0.12 -1.03 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 1ugy s LYS 45 Cb -0.18 -2.50 -0.06 0.00 -0.52 0.00 0.00 37.83 34.57 1ugy s LYS 45 CO 0.13 0.44 1.05 0.45 -0.92 0.00 0.00 175.35 176.50 1ugy s SER 46 N -3.32 6.00 0.12 2.83 0.15 -1.26 -4.83 113.70 113.39 1ugy s SER 46 Ca 0.31 1.88 0.15 0.00 0.70 0.00 0.00 55.95 58.99 1ugy s SER 46 Cb -0.09 -2.55 0.68 0.00 -1.71 0.00 0.00 66.02 62.36 1ugy s SER 46 CO 0.22 -1.02 1.47 0.49 1.20 0.00 0.00 173.24 175.61 1ugy n PHE 47 N -1.57 0.34 -4.00 3.44 3.72 -0.16 -4.77 117.46 114.46 1ugy n PHE 47 Ca 0.09 0.15 -0.00 0.00 -0.05 0.00 0.00 57.45 57.64 1ugy n PHE 47 Cb 0.53 -0.74 -0.00 0.00 -0.94 0.00 0.00 39.48 38.33 1ugy n PHE 47 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1ugy n ILE 48 N -1.82 0.00 -4.20 4.37 -5.35 -1.26 -5.04 119.36 106.05 1ugy n ILE 48 Ca 0.02 -0.01 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 1ugy n ILE 48 Cb 0.14 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.00 1ugy n ILE 48 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ugy n THR 49 N -0.00 0.00 0.00 7.28 -2.24 -1.26 -4.94 114.28 113.11 1ugy n THR 49 Ca -0.00 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 1ugy n THR 49 Cb 0.00 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.29 1.07 3.89 3.38 0.00 -1.26 -5.10 105.19 107.46 1ugy n GLY 50 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.45 -0.29 1.61 0.08 -1.26 -4.88 117.98 114.70 1ugy s PHE 51 Ca 0.00 0.75 -0.19 0.00 0.12 0.00 0.00 56.93 57.61 1ugy s PHE 51 Cb 0.00 -2.17 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1ugy s PHE 51 CO 0.00 0.23 0.58 0.99 -0.10 0.00 0.00 175.22 176.92 1ugy s THR 52 N -1.94 5.00 0.58 0.64 2.01 0.93 -4.80 115.64 118.07 1ugy s THR 52 Ca 0.45 0.84 -0.18 0.00 0.31 0.00 0.00 61.69 63.11 1ugy s THR 52 Cb -0.11 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1ugy s THR 52 CO 0.26 -0.05 1.13 -2.84 -0.69 0.00 0.00 174.62 172.43 1ugy s PRO 53 N 2.47 3.17 -0.13 4.92 0.02 -1.26 -2.17 135.00 142.02 1ugy s PRO 53 Ca 0.23 1.56 -0.08 0.00 0.02 0.00 0.00 61.00 62.73 1ugy s PRO 53 Cb -0.15 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.43 1ugy s PRO 53 CO 0.11 -0.99 0.31 0.08 -0.33 0.00 0.00 177.00 176.18 1ugy s VAL 54 N -1.92 -0.02 -0.15 3.83 1.01 0.16 -4.96 120.40 118.34 1ugy s VAL 54 Ca 0.71 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1ugy s VAL 54 Cb -0.23 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 1ugy s VAL 54 CO 0.31 0.04 -0.15 -0.75 0.00 0.00 0.00 175.10 174.55 1ugy s LYS 55 N 1.00 3.23 -0.42 2.72 2.20 -1.26 -1.78 119.74 125.43 1ugy s LYS 55 Ca -0.07 -0.74 -0.06 0.00 -0.36 0.00 0.00 55.97 54.74 1ugy s LYS 55 Cb -0.08 -2.63 0.10 0.00 -1.51 0.00 0.00 37.83 33.72 1ugy s LYS 55 CO -0.07 0.03 0.24 0.42 -0.36 0.00 0.00 175.35 175.61 1ugy s ILE 56 N 0.78 3.70 -0.38 5.43 -1.09 0.15 -4.99 121.20 124.81 1ugy s ILE 56 Ca -0.06 -1.83 -0.15 0.00 -2.23 0.00 0.00 60.65 56.39 1ugy s ILE 56 Cb -0.15 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1ugy s ILE 56 CO 0.00 -0.65 0.32 -0.44 -1.23 0.00 0.00 174.94 172.94 1ugy s SER 57 N 2.10 6.12 0.16 3.58 0.01 -1.26 -1.11 113.70 123.30 1ugy s SER 57 Ca 0.06 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 1ugy s SER 57 Cb -0.24 -2.17 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 1ugy s SER 57 CO -0.02 -0.39 0.53 -0.76 0.41 0.00 0.00 173.24 173.01 1ugy s LEU 58 N 1.84 4.29 -1.35 2.44 1.43 -0.50 -4.98 118.68 121.84 1ugy s LEU 58 Ca 0.08 0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 54.06 1ugy s LEU 58 Cb -0.18 -3.36 0.11 0.00 0.03 0.00 0.00 46.19 42.80 1ugy s LEU 58 CO 0.11 0.06 2.11 -0.67 0.23 0.00 0.00 176.35 178.18 1ugy n ASP 59 N 0.52 5.43 -4.78 2.29 2.03 -1.26 -4.86 116.55 115.92 1ugy n ASP 59 Ca -0.04 -3.01 -0.41 0.00 0.52 0.00 0.00 54.79 51.85 1ugy n ASP 59 Cb 0.52 -1.51 -0.00 0.00 -0.72 0.00 0.00 41.12 39.41 1ugy n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ugy s PHE 60 N 0.98 2.61 -2.70 -0.67 5.36 -1.26 -1.71 117.98 120.59 1ugy s PHE 60 Ca 0.45 1.20 0.24 0.00 -0.96 0.00 0.00 56.93 57.86 1ugy s PHE 60 Cb 0.12 -3.99 0.35 0.00 -0.34 0.00 0.00 43.02 39.17 1ugy s PHE 60 CO -0.04 -2.90 1.36 -0.35 -1.46 0.00 0.00 175.22 171.83 1ugy n PRO 61 N 0.41 2.41 0.28 10.12 -0.04 -1.26 -4.85 135.00 142.06 1ugy n PRO 61 Ca 0.01 -2.09 0.17 0.00 -0.04 0.00 0.00 63.50 61.55 1ugy n PRO 61 Cb 0.40 -1.49 0.70 0.00 -0.04 0.00 0.00 33.50 33.06 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 4.50 0.00 -3.32 3.54 4.64 -1.89 -3.41 113.55 117.61 1ugy h SER 62 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 1ugy h SER 62 Cb 0.98 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.79 1ugy h SER 62 CO 0.00 0.00 -0.77 -0.70 -0.87 0.00 0.00 176.83 174.49 1ugy s GLU 63 N -3.68 3.35 0.05 4.77 2.12 -0.70 -4.94 118.70 119.68 1ugy s GLU 63 Ca 0.01 -0.70 -0.11 0.00 0.36 0.00 0.00 54.97 54.54 1ugy s GLU 63 Cb 0.09 -2.64 0.01 0.00 0.26 0.00 0.00 34.13 31.84 1ugy s GLU 63 CO 0.54 0.16 0.23 1.52 -0.54 0.00 0.00 175.26 177.17 1ugy s TYR 64 N 0.48 0.02 0.21 5.30 -0.85 -1.26 -4.35 117.35 116.90 1ugy s TYR 64 Ca -0.09 -0.24 -0.30 0.00 -0.52 0.00 0.00 57.07 55.91 1ugy s TYR 64 Cb -0.16 0.00 -0.10 0.00 0.38 0.00 0.00 41.96 42.09 1ugy s TYR 64 CO 0.04 -0.47 1.44 0.42 -1.52 0.00 0.00 175.55 175.47 1ugy s ILE 65 N -2.73 2.80 -0.13 -3.49 1.01 -1.26 -2.76 121.20 114.64 1ugy s ILE 65 Ca -0.04 0.64 0.06 0.00 0.00 0.00 0.00 60.65 61.32 1ugy s ILE 65 Cb -0.00 -3.41 -0.08 0.00 0.01 0.00 0.00 42.46 38.97 1ugy s ILE 65 CO -0.05 0.09 0.19 0.23 0.00 0.00 0.00 174.94 175.40 1ugy n MET 66 N 2.88 2.32 -3.64 2.79 2.81 0.15 -4.78 117.12 119.66 1ugy n MET 66 Ca 0.09 -0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.85 1ugy n MET 66 Cb 0.40 -0.99 -0.07 0.00 -0.71 0.00 0.00 33.22 31.86 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 -2.06 0.59 -0.09 0.03 2.12 -1.00 -0.54 118.70 117.75 1ugy s GLU 67 Ca -0.00 0.77 0.04 0.00 0.36 0.00 0.00 54.97 56.14 1ugy s GLU 67 Cb 0.04 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.69 1ugy s GLU 67 CO 0.26 -0.08 -0.22 0.08 -0.54 0.00 0.00 175.26 174.76 1ugy s VAL 68 N 0.57 1.89 0.14 3.70 1.01 -0.89 -1.50 120.40 125.32 1ugy s VAL 68 Ca -0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1ugy s VAL 68 Cb -0.05 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1ugy s VAL 68 CO -0.07 0.52 0.11 -0.94 0.00 0.00 0.00 175.10 174.73 1ugy s SER 69 N 0.34 0.24 0.00 3.32 1.04 -0.91 0.50 113.70 118.22 1ugy s SER 69 Ca -0.16 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1ugy s SER 69 Cb -0.17 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1ugy s SER 69 CO 0.07 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1ugy n GLY 70 N -0.12 0.80 2.95 7.32 0.00 -0.73 -0.55 105.19 114.86 1ugy n GLY 70 Ca -0.06 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.87 -0.09 0.13 1.61 2.02 -0.98 -2.14 117.35 116.02 1ugy s TYR 71 Ca 0.00 0.23 0.09 0.00 -0.37 0.00 0.00 57.07 57.03 1ugy s TYR 71 Cb 0.00 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.54 1ugy s TYR 71 CO 0.00 -0.05 -0.19 0.95 -1.57 0.00 0.00 175.55 174.68 1ugy s THR 72 N 0.14 2.74 0.03 -0.71 -4.23 -0.31 -0.02 115.64 113.28 1ugy s THR 72 Ca -0.01 -1.59 -0.28 0.00 -1.18 0.00 0.00 61.69 58.64 1ugy s THR 72 Cb -0.02 -2.26 0.10 0.00 1.34 0.00 0.00 72.50 71.66 1ugy s THR 72 CO -0.00 0.07 1.23 -0.83 -0.54 0.00 0.00 174.62 174.54 1ugy s GLY 73 N -2.21 -0.17 0.15 3.99 0.00 -0.25 -0.20 107.32 108.63 1ugy s GLY 73 Ca 0.18 0.17 -0.28 0.00 0.00 0.00 0.00 44.72 44.79 1ugy s GLY 73 CO 0.10 3.17 0.86 -1.31 0.00 0.00 0.00 173.10 175.92 1ugy s ASN 74 N -3.45 7.45 -0.18 1.64 -0.87 -1.26 -1.03 114.94 117.23 1ugy s ASN 74 Ca 0.23 1.72 -0.05 0.00 -1.57 0.00 0.00 52.86 53.18 1ugy s ASN 74 Cb 0.01 -2.54 0.09 0.00 -0.02 0.00 0.00 41.25 38.78 1ugy s ASN 74 CO -0.00 0.10 0.35 -0.69 -2.57 0.00 0.00 177.10 174.29 1ugy s VAL 75 N -0.69 -0.55 -1.43 1.60 1.01 0.22 -4.88 120.40 115.67 1ugy s VAL 75 Ca 0.40 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1ugy s VAL 75 Cb -0.23 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1ugy s VAL 75 CO 0.28 0.05 0.20 -0.24 0.00 0.00 0.00 175.10 175.39 1ugy n SER 76 N 5.37 -5.00 0.00 3.32 2.88 -1.26 -1.43 113.62 117.50 1ugy n SER 76 Ca -0.07 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1ugy n SER 76 Cb 0.50 -4.15 0.00 0.00 -0.75 0.00 0.00 64.21 59.80 1ugy n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugy n GLY 77 N -1.08 0.81 3.54 0.46 0.00 -1.26 -5.04 105.19 102.62 1ugy n GLY 77 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.10 2.59 -0.23 1.61 2.02 -0.51 -5.10 117.35 114.63 1ugy s TYR 78 Ca 0.00 -0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.35 1ugy s TYR 78 Cb 0.00 -1.30 -0.05 0.00 -0.40 0.00 0.00 41.96 40.22 1ugy s TYR 78 CO 0.00 0.48 0.21 0.08 -1.57 0.00 0.00 175.55 174.75 1ugy s VAL 79 N -1.55 5.33 0.21 0.71 1.01 -1.26 -0.61 120.40 124.24 1ugy s VAL 79 Ca 0.23 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 1ugy s VAL 79 Cb -0.09 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1ugy s VAL 79 CO 0.14 0.34 0.17 0.68 0.00 0.00 0.00 175.10 176.42 1ugy s VAL 80 N 1.03 0.00 -0.31 2.92 -7.23 -0.20 -4.78 120.40 111.83 1ugy s VAL 80 Ca 0.10 -1.93 -0.24 0.00 -1.81 0.00 0.00 61.98 58.10 1ugy s VAL 80 Cb -0.14 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1ugy s VAL 80 CO 0.05 0.00 0.84 -0.69 -0.31 0.00 0.00 175.10 174.98 1ugy s VAL 81 N -4.13 4.75 -0.09 1.32 1.01 -0.48 -1.09 120.40 121.69 1ugy s VAL 81 Ca 0.37 1.29 0.22 0.00 0.00 0.00 0.00 61.98 63.86 1ugy s VAL 81 Cb 0.06 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 32.01 1ugy s VAL 81 CO 0.12 -0.28 0.64 0.54 0.00 0.00 0.00 175.10 176.12 1ugy n ARG 82 N 6.30 0.64 -3.67 2.72 1.74 0.96 -2.57 116.66 122.78 1ugy n ARG 82 Ca 0.05 -0.11 -0.14 0.00 -0.77 0.00 0.00 57.85 56.89 1ugy n ARG 82 Cb 0.48 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 30.24 1ugy n ARG 82 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ugy s SER 83 N -4.76 -0.32 -0.02 0.55 0.15 -1.12 -2.06 113.70 106.14 1ugy s SER 83 Ca -0.06 0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.70 1ugy s SER 83 Cb 0.13 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1ugy s SER 83 CO 0.88 -0.58 0.10 -0.76 1.20 0.00 0.00 173.24 174.08 1ugy s LEU 84 N -1.61 1.65 -0.01 3.45 1.43 -0.93 -2.32 118.68 120.33 1ugy s LEU 84 Ca -0.09 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1ugy s LEU 84 Cb -0.02 0.47 0.02 0.00 0.03 0.00 0.00 46.19 46.69 1ugy s LEU 84 CO 0.02 -0.22 0.00 -0.89 0.23 0.00 0.00 176.35 175.50 1ugy s THR 85 N -0.76 0.07 -0.21 5.49 2.01 0.28 -1.27 115.64 121.25 1ugy s THR 85 Ca -0.08 0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1ugy s THR 85 Cb -0.05 -0.14 0.02 0.00 0.01 0.00 0.00 72.50 72.34 1ugy s THR 85 CO 0.01 0.08 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.52 1ugy s PHE 86 N 0.60 2.93 -0.21 4.92 0.08 -0.07 -2.15 117.98 124.09 1ugy s PHE 86 Ca -0.05 -1.64 -0.05 0.00 0.12 0.00 0.00 56.93 55.30 1ugy s PHE 86 Cb -0.08 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1ugy s PHE 86 CO -0.01 -0.77 -0.00 0.21 -0.10 0.00 0.00 175.22 174.54 1ugy s LYS 87 N 1.29 3.54 0.37 0.44 2.20 -0.56 0.10 119.74 127.12 1ugy s LYS 87 Ca 0.02 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.12 1ugy s LYS 87 Cb -0.15 -3.09 0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1ugy s LYS 87 CO -0.09 -0.08 0.36 0.25 -0.36 0.00 0.00 175.35 175.43 1ugy n THR 88 N 4.51 0.00 1.97 3.43 -2.24 0.69 0.35 114.28 122.98 1ugy n THR 88 Ca -0.17 -1.38 0.15 0.00 -2.27 0.00 0.00 64.05 60.37 1ugy n THR 88 Cb 0.51 -0.35 0.87 0.00 -2.10 0.00 0.00 70.33 69.26 1ugy n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ugy n ASN 89 N -2.11 0.00 0.00 3.42 6.94 -1.11 -3.67 115.26 118.73 1ugy n ASN 89 Ca 0.03 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.53 1ugy n ASN 89 Cb 0.41 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 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 -0.96 2.06 -3.78 -3.83 5.02 -1.26 -5.06 118.16 110.34 1ugy n LYS 90 Ca 0.22 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.47 1ugy n LYS 90 Cb 0.10 -0.83 -0.01 0.00 -0.02 0.00 0.00 35.03 34.27 1ugy n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ugy s LYS 91 N -1.37 1.28 -0.10 1.97 2.20 -1.24 -5.16 119.74 117.34 1ugy s LYS 91 Ca 0.00 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1ugy s LYS 91 Cb 0.00 0.42 -0.01 0.00 -1.51 0.00 0.00 37.83 36.73 1ugy s LYS 91 CO 0.00 -0.59 -0.21 0.99 -0.36 0.00 0.00 175.35 175.18 1ugy s THR 92 N -3.11 2.36 -0.23 3.43 2.01 -1.26 -0.22 115.64 118.61 1ugy s THR 92 Ca 0.14 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1ugy s THR 92 Cb -0.02 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.60 1ugy s THR 92 CO 0.03 0.56 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.13 1ugy s TYR 93 N 0.17 3.01 0.00 4.92 1.51 0.11 -5.00 117.35 122.08 1ugy s TYR 93 Ca -0.12 -1.50 0.00 0.00 -1.01 0.00 0.00 57.07 54.44 1ugy s TYR 93 Cb -0.16 -2.04 0.00 0.00 -0.11 0.00 0.00 41.96 39.65 1ugy s TYR 93 CO 0.07 -0.72 0.00 0.41 -1.11 0.00 0.00 175.55 174.20 1ugy n GLY 94 N 4.67 0.02 3.77 0.71 0.00 -1.26 -0.89 105.19 112.21 1ugy n GLY 94 Ca -0.17 -2.25 -0.32 0.00 0.00 0.00 0.00 46.02 43.28 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 2.67 -0.20 1.61 0.04 -1.26 -5.00 135.00 132.85 1ugy s PRO 95 Ca 0.00 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.37 1ugy s PRO 95 Cb 0.00 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1ugy s PRO 95 CO 0.00 -1.35 -0.16 0.71 0.04 0.00 0.00 177.00 176.24 1ugy s TYR 96 N -2.50 2.92 0.00 0.56 2.02 -0.40 -4.97 117.35 114.98 1ugy s TYR 96 Ca 0.65 -1.79 0.00 0.00 -0.37 0.00 0.00 57.07 55.56 1ugy s TYR 96 Cb -0.19 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 1ugy s TYR 96 CO 0.45 -0.81 0.00 0.41 -1.57 0.00 0.00 175.55 174.03 1ugy n GLY 97 N 4.58 -0.61 3.57 0.71 0.00 -1.26 -2.19 105.19 109.99 1ugy n GLY 97 Ca -0.19 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.23 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 4.69 -1.53 1.61 1.01 -0.87 -4.91 120.40 120.39 1ugy s VAL 98 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 1ugy s VAL 98 Cb 0.00 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1ugy s VAL 98 CO 0.00 -0.57 2.61 0.35 0.00 0.00 0.00 175.10 177.48 1ugy n THR 99 N 5.97 4.06 -4.04 3.92 -2.24 -1.26 -4.11 114.28 116.58 1ugy n THR 99 Ca 0.03 -2.94 -0.14 0.00 -2.27 0.00 0.00 64.05 58.72 1ugy n THR 99 Cb 0.48 -2.57 -0.14 0.00 -2.10 0.00 0.00 70.33 66.00 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 2.38 0.37 0.00 3.42 0.15 -1.26 -5.08 113.70 113.68 1ugy s SER 100 Ca 0.59 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1ugy s SER 100 Cb 0.16 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1ugy s SER 100 CO -0.07 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1ugy n GLY 101 N 3.07 0.06 3.52 9.45 0.00 -1.26 -4.58 105.19 115.45 1ugy n GLY 101 Ca -0.13 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.25 4.77 0.62 2.61 2.01 0.72 -4.91 115.64 121.23 1ugy s THR 102 Ca 0.00 -0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 1ugy s THR 102 Cb 0.00 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1ugy s THR 102 CO 0.00 0.31 1.03 -2.16 -0.69 0.00 0.00 174.62 173.12 1ugy s PRO 103 N 1.57 3.43 0.07 4.92 0.04 -1.26 -1.16 135.00 142.60 1ugy s PRO 103 Ca 0.06 0.90 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 1ugy s PRO 103 Cb -0.15 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1ugy s PRO 103 CO 0.06 -0.70 0.38 -0.59 0.04 0.00 0.00 177.00 176.18 1ugy s PHE 104 N -2.96 -0.19 -0.15 0.56 -0.12 -0.91 -4.93 117.98 109.28 1ugy s PHE 104 Ca 0.58 0.03 -0.28 0.00 -0.05 0.00 0.00 56.93 57.20 1ugy s PHE 104 Cb -0.12 0.19 0.07 0.00 -0.63 0.00 0.00 43.02 42.53 1ugy s PHE 104 CO 0.49 -0.60 0.69 0.54 -0.05 0.00 0.00 175.22 176.29 1ugy s ASN 105 N -2.31 -0.69 -0.37 1.98 6.03 -1.26 -1.77 114.94 116.55 1ugy s ASN 105 Ca -0.02 1.03 0.01 0.00 -1.03 0.00 0.00 52.86 52.85 1ugy s ASN 105 Cb 0.00 0.94 0.12 0.00 -3.03 0.00 0.00 41.25 39.28 1ugy s ASN 105 CO -0.06 -0.45 0.16 -0.22 -2.03 0.00 0.00 177.10 174.50 1ugy s LEU 106 N -0.49 2.57 0.09 3.54 2.96 0.18 -4.98 118.68 122.54 1ugy s LEU 106 Ca -0.06 -2.12 -0.23 0.00 -0.22 0.00 0.00 54.13 51.50 1ugy s LEU 106 Cb -0.02 -0.98 -0.07 0.00 0.50 0.00 0.00 46.19 45.63 1ugy s LEU 106 CO 0.06 -0.35 0.70 -2.84 -1.32 0.00 0.00 176.35 172.61 1ugy s PRO 107 N 1.01 4.43 -0.24 0.98 0.02 -1.26 -2.09 135.00 137.85 1ugy s PRO 107 Ca 0.14 0.98 -0.05 0.00 0.02 0.00 0.00 61.00 62.09 1ugy s PRO 107 Cb -0.21 -3.30 -0.01 0.00 0.02 0.00 0.00 34.50 31.01 1ugy s PRO 107 CO -0.12 0.48 0.01 0.42 -0.33 0.00 0.00 177.00 177.46 1ugy s ILE 108 N -0.70 3.72 -0.05 2.83 1.09 0.30 -4.97 121.20 123.42 1ugy s ILE 108 Ca 0.34 -0.44 -0.03 0.00 -1.10 0.00 0.00 60.65 59.43 1ugy s ILE 108 Cb -0.21 -2.75 -0.27 0.00 -1.06 0.00 0.00 42.46 38.17 1ugy s ILE 108 CO 0.22 0.35 0.65 -0.08 -0.10 0.00 0.00 174.94 175.98 1ugy h GLU 109 N 8.16 0.24 -2.49 2.79 4.81 -1.97 -3.46 114.58 122.66 1ugy h GLU 109 Ca -0.39 -0.41 -0.11 0.00 -0.13 0.00 0.00 59.36 58.32 1ugy h GLU 109 Cb 1.16 0.15 -0.28 0.00 0.63 0.00 0.00 28.75 30.41 1ugy h GLU 109 CO 0.59 1.08 -0.40 1.21 -0.73 0.00 0.00 179.01 180.77 1ugy s ASN 110 N -6.91 -0.15 0.00 1.04 2.47 -1.26 -5.13 114.94 105.00 1ugy s ASN 110 Ca -0.13 0.88 0.00 0.00 0.42 0.00 0.00 52.86 54.03 1ugy s ASN 110 Cb 0.07 1.26 0.00 0.00 -1.45 0.00 0.00 41.25 41.13 1ugy s ASN 110 CO 0.82 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 174.58 1ugy n GLY 111 N 5.38 0.94 3.13 1.21 0.00 -1.26 -5.00 105.19 109.59 1ugy n GLY 111 Ca -0.08 -2.01 -0.12 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 1.33 -0.09 0.99 1.43 0.61 -4.97 118.68 117.98 1ugy s LEU 112 Ca 0.00 0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 1ugy s LEU 112 Cb 0.00 0.79 -0.02 0.00 0.03 0.00 0.00 46.19 46.99 1ugy s LEU 112 CO 0.00 -0.30 0.90 -0.63 0.23 0.00 0.00 176.35 176.55 1ugy s ILE 113 N -0.96 4.88 -0.02 -0.59 1.09 -1.26 -1.19 121.20 123.14 1ugy s ILE 113 Ca -0.10 1.82 0.03 0.00 -1.10 0.00 0.00 60.65 61.30 1ugy s ILE 113 Cb -0.05 -4.22 0.05 0.00 -1.06 0.00 0.00 42.46 37.18 1ugy s ILE 113 CO 0.02 0.09 0.90 1.33 -0.10 0.00 0.00 174.94 177.17 1ugy n VAL 114 N 4.33 0.79 0.00 2.92 0.24 0.77 -4.59 118.33 122.80 1ugy n VAL 114 Ca 0.05 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1ugy n VAL 114 Cb 0.50 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 1ugy n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ugy n GLY 115 N -0.49 0.97 3.15 7.63 0.00 -1.24 -0.59 105.19 114.62 1ugy n GLY 115 Ca 0.03 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1ugy n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugy s PHE 116 N -2.00 0.94 0.14 1.61 0.08 -1.25 -0.88 117.98 116.62 1ugy s PHE 116 Ca 0.00 -0.70 -0.15 0.00 0.12 0.00 0.00 56.93 56.20 1ugy s PHE 116 Cb 0.00 -0.53 0.03 0.00 -0.57 0.00 0.00 43.02 41.95 1ugy s PHE 116 CO 0.00 -0.06 0.39 -1.59 -0.10 0.00 0.00 175.22 173.86 1ugy s LYS 117 N -2.88 1.11 0.00 0.44 -2.85 -1.14 -1.22 119.74 113.20 1ugy s LYS 117 Ca 0.05 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 1ugy s LYS 117 Cb -0.02 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 1ugy s LYS 117 CO -0.01 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.41 1ugy n GLY 118 N -0.23 -0.74 3.56 0.59 0.00 0.22 -1.20 105.19 107.40 1ugy n GLY 118 Ca -0.14 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.71 -0.04 1.61 0.15 -0.83 -0.94 113.70 108.94 1ugy s SER 119 Ca 0.00 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1ugy s SER 119 Cb 0.00 1.33 0.03 0.00 -1.71 0.00 0.00 66.02 65.67 1ugy s SER 119 CO 0.00 -0.23 -0.01 -0.63 1.20 0.00 0.00 173.24 173.57 1ugy s ILE 120 N 0.54 0.31 0.00 6.45 1.01 -0.56 -0.32 121.20 128.63 1ugy s ILE 120 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1ugy s ILE 120 Cb -0.05 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1ugy s ILE 120 CO -0.02 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1ugy n GLY 121 N 4.41 1.28 0.21 6.18 0.00 -1.26 -0.70 105.19 115.30 1ugy n GLY 121 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 0.77 -3.67 1.61 0.99 -1.95 -0.40 116.97 114.32 1ugy h TYR 122 Ca 0.00 -0.31 -0.41 0.00 2.00 0.00 0.00 58.73 60.00 1ugy h TYR 122 Cb 0.00 -0.13 -0.14 0.00 1.00 0.00 0.00 36.73 37.46 1ugy h TYR 122 CO 0.00 1.09 -0.57 -1.58 -0.00 0.00 0.00 178.16 177.10 1ugy s TRP 123 N -3.81 1.63 -0.25 4.88 0.51 -1.26 -4.44 118.94 116.19 1ugy s TRP 123 Ca -0.08 -1.27 -0.29 0.00 -2.12 0.00 0.00 56.10 52.34 1ugy s TRP 123 Cb 0.10 -0.93 -0.03 0.00 -0.81 0.00 0.00 33.47 31.80 1ugy s TRP 123 CO 0.86 -0.40 1.75 -1.17 -0.51 0.00 0.00 176.95 177.48 1ugy s LEU 124 N -3.39 3.72 0.06 2.99 2.96 -0.57 -4.36 118.68 120.09 1ugy s LEU 124 Ca 0.35 1.56 -0.15 0.00 -0.22 0.00 0.00 54.13 55.67 1ugy s LEU 124 Cb 0.06 -3.53 -0.25 0.00 0.50 0.00 0.00 46.19 42.97 1ugy s LEU 124 CO 0.16 -1.48 1.15 0.44 -1.32 0.00 0.00 176.35 175.29 1ugy h ASP 125 N 11.91 0.86 -4.88 3.68 3.32 -0.98 -1.26 116.42 129.08 1ugy h ASP 125 Ca -0.35 -0.77 0.21 0.00 0.02 0.00 0.00 57.03 56.14 1ugy h ASP 125 Cb 1.17 -0.27 -0.14 0.00 0.22 0.00 0.00 39.33 40.31 1ugy h ASP 125 CO 1.01 1.53 0.65 -0.72 -1.72 0.00 0.00 179.24 179.99 1ugy s TYR 126 N -3.19 -0.18 0.04 4.55 -0.85 -1.23 -4.20 117.35 112.29 1ugy s TYR 126 Ca -0.10 0.04 -0.23 0.00 -0.52 0.00 0.00 57.07 56.26 1ugy s TYR 126 Cb 0.06 0.55 0.05 0.00 0.38 0.00 0.00 41.96 43.01 1ugy s TYR 126 CO 0.91 -0.44 0.54 -0.59 -1.52 0.00 0.00 175.55 174.45 1ugy s PHE 127 N -2.80 -0.45 0.31 -3.49 -0.71 -1.26 -1.96 117.98 107.62 1ugy s PHE 127 Ca 0.10 0.54 0.05 0.00 -1.04 0.00 0.00 56.93 56.57 1ugy s PHE 127 Cb 0.00 0.36 -0.06 0.00 -1.21 0.00 0.00 43.02 42.11 1ugy s PHE 127 CO -0.05 -0.65 0.02 -1.12 -1.34 0.00 0.00 175.22 172.09 1ugy s SER 128 N -1.91 2.53 -0.01 1.98 0.01 -0.34 -4.98 113.70 110.98 1ugy s SER 128 Ca -0.06 -1.32 0.02 0.00 1.31 0.00 0.00 55.95 55.90 1ugy s SER 128 Cb -0.01 -0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 1ugy s SER 128 CO -0.01 -0.53 -0.07 -0.04 0.41 0.00 0.00 173.24 173.00 1ugy s MET 129 N -3.84 0.65 -0.03 12.44 -1.94 -1.26 -2.90 119.30 122.42 1ugy s MET 129 Ca 0.34 -0.25 -0.23 0.00 -1.71 0.00 0.00 55.69 53.84 1ugy s MET 129 Cb 0.07 -0.63 -0.04 0.00 2.01 0.00 0.00 34.83 36.24 1ugy s MET 129 CO 0.14 0.13 0.69 0.71 -0.01 0.00 0.00 175.02 176.69 1ugy s TYR 130 N -0.04 3.63 0.03 -0.03 1.51 -0.06 -4.97 117.35 117.42 1ugy s TYR 130 Ca 0.01 1.28 0.08 0.00 -1.01 0.00 0.00 57.07 57.44 1ugy s TYR 130 Cb -0.04 -2.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.02 1ugy s TYR 130 CO -0.00 0.18 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.87 1ugy s LEU 131 N 0.41 2.13 0.27 -1.29 1.43 -1.26 -0.16 118.68 120.22 1ugy s LEU 131 Ca 0.36 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1ugy s LEU 131 Cb -0.18 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1ugy s LEU 131 CO 0.19 0.25 0.52 -0.55 0.23 0.00 0.00 176.35 176.99 1ugy s SER 132 N -1.03 0.05 0.00 2.29 0.15 -0.33 -4.93 113.70 109.89 1ugy s SER 132 Ca 0.10 -1.00 0.27 0.00 0.70 0.00 0.00 55.95 56.02 1ugy s SER 132 Cb -0.09 0.63 0.82 0.00 -1.71 0.00 0.00 66.02 65.67 1ugy s SER 132 CO 0.01 -1.22 1.62 0.18 1.20 0.00 0.00 173.24 175.02