#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 4.14 0.49 1.61 2.20 -0.22 -4.78 119.74 123.18 1ugy s LYS 2 Ca 0.00 0.37 -0.20 0.00 -0.36 0.00 0.00 55.97 55.77 1ugy s LYS 2 Cb 0.00 -3.60 -0.08 0.00 -1.51 0.00 0.00 37.83 32.64 1ugy s LYS 2 CO 0.00 -0.22 1.04 0.00 -0.36 0.00 0.00 175.35 175.81 1ugy s ALA 3 N 1.88 2.87 0.03 3.13 0.00 -1.26 -1.88 121.76 126.52 1ugy s ALA 3 Ca 0.23 0.61 -0.08 0.00 0.00 0.00 0.00 51.96 52.71 1ugy s ALA 3 Cb -0.15 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1ugy s ALA 3 CO 0.09 -0.33 0.15 -0.59 0.00 0.00 0.00 175.76 175.09 1ugy s PHE 4 N -1.99 0.09 -0.24 0.00 -0.71 0.13 -4.95 117.98 110.30 1ugy s PHE 4 Ca 0.67 -0.29 -0.02 0.00 -1.04 0.00 0.00 56.93 56.25 1ugy s PHE 4 Cb -0.16 -0.07 0.12 0.00 -1.21 0.00 0.00 43.02 41.70 1ugy s PHE 4 CO 0.20 -0.37 0.31 0.34 -1.34 0.00 0.00 175.22 174.36 1ugy s ASP 5 N -1.90 1.00 0.19 1.98 3.68 -1.26 -1.11 116.67 119.26 1ugy s ASP 5 Ca -0.08 -0.22 0.06 0.00 2.13 0.00 0.00 52.55 54.45 1ugy s ASP 5 Cb -0.03 0.71 0.08 0.00 -1.45 0.00 0.00 42.92 42.23 1ugy s ASP 5 CO -0.02 -0.34 1.44 0.44 0.13 0.00 0.00 175.17 176.82 1ugy h ASP 6 N 8.25 0.11 -3.56 -0.34 3.32 -1.74 -3.50 116.42 118.97 1ugy h ASP 6 Ca -0.16 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1ugy h ASP 6 Cb 1.13 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1ugy h ASP 6 CO 0.29 0.87 0.00 0.61 -1.72 0.00 0.00 179.24 179.29 1ugy n GLY 7 N 0.73 -1.80 3.72 2.75 0.00 -1.25 -4.97 105.19 104.38 1ugy n GLY 7 Ca -0.02 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.70 3.40 0.00 4.61 0.00 -1.26 -3.98 121.76 122.83 1ugy s ALA 8 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1ugy s ALA 8 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1ugy s ALA 8 CO 0.00 0.66 0.00 1.19 0.00 0.00 0.00 175.76 177.61 1ugy n PHE 9 N 1.40 0.00 0.09 0.00 3.01 0.12 -5.00 117.46 117.08 1ugy n PHE 9 Ca -0.14 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.38 1ugy n PHE 9 Cb 0.53 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.98 1ugy n PHE 9 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ugy h THR 10 N 0.50 0.28 0.00 4.37 2.02 -1.24 -3.46 112.91 115.39 1ugy h THR 10 Ca 0.00 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1ugy h THR 10 Cb 0.00 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1ugy h THR 10 CO 0.00 0.16 0.00 0.61 0.37 0.00 0.00 175.52 176.66 1ugy n GLY 11 N 1.26 -1.42 3.19 2.16 0.00 -1.17 -4.93 105.19 104.29 1ugy n GLY 11 Ca -0.03 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.74 2.07 -0.24 -0.61 -1.09 -1.26 -1.02 121.20 116.32 1ugy s ILE 12 Ca 0.00 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 1ugy s ILE 12 Cb 0.00 -1.81 -0.16 0.00 -1.58 0.00 0.00 42.46 38.91 1ugy s ILE 12 CO 0.00 0.55 -0.20 0.54 -1.23 0.00 0.00 174.94 174.60 1ugy n ARG 13 N 3.85 0.60 -3.65 2.79 1.74 -0.47 -4.83 116.66 116.69 1ugy n ARG 13 Ca -0.20 0.13 -0.14 0.00 -0.77 0.00 0.00 57.85 56.88 1ugy n ARG 13 Cb 0.52 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.48 0.76 -0.15 5.56 2.12 -0.69 -1.75 118.70 122.07 1ugy s GLU 14 Ca -0.31 0.82 0.01 0.00 0.36 0.00 0.00 54.97 55.84 1ugy s GLU 14 Cb 0.08 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.84 1ugy s GLU 14 CO 0.55 -0.10 -0.17 0.42 -0.54 0.00 0.00 175.26 175.42 1ugy s ILE 15 N 0.21 2.53 -0.21 -3.70 -1.09 -0.23 0.06 121.20 118.77 1ugy s ILE 15 Ca -0.01 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1ugy s ILE 15 Cb -0.04 -2.06 0.03 0.00 -1.58 0.00 0.00 42.46 38.81 1ugy s ILE 15 CO 0.01 0.52 -0.16 0.20 -1.23 0.00 0.00 174.94 174.29 1ugy s ASN 16 N 0.84 3.62 0.15 3.58 0.01 0.25 -0.37 114.94 123.02 1ugy s ASN 16 Ca -0.05 -0.85 -0.01 0.00 -0.71 0.00 0.00 52.86 51.25 1ugy s ASN 16 Cb -0.15 -1.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.94 1ugy s ASN 16 CO -0.01 -0.06 0.06 -1.48 -1.51 0.00 0.00 177.10 174.10 1ugy s LEU 17 N 1.25 1.74 0.10 0.60 0.05 -0.81 -0.52 118.68 121.10 1ugy s LEU 17 Ca 0.01 -1.23 0.05 0.00 0.05 0.00 0.00 54.13 53.01 1ugy s LEU 17 Cb -0.15 0.26 -0.03 0.00 -2.05 0.00 0.00 46.19 44.22 1ugy s LEU 17 CO -0.10 -0.72 -0.12 -0.94 -0.55 0.00 0.00 176.35 173.92 1ugy s SER 18 N -3.08 1.65 0.33 1.48 1.04 -0.82 -0.25 113.70 114.04 1ugy s SER 18 Ca 0.26 -0.77 -0.10 0.00 0.48 0.00 0.00 55.95 55.82 1ugy s SER 18 Cb 0.07 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1ugy s SER 18 CO 0.03 -0.19 0.58 -0.72 0.98 0.00 0.00 173.24 173.93 1ugy s TYR 19 N -2.10 0.53 -0.12 5.02 1.13 -0.89 -0.56 117.35 120.36 1ugy s TYR 19 Ca 0.05 -0.94 -0.04 0.00 -1.41 0.00 0.00 57.07 54.73 1ugy s TYR 19 Cb -0.05 0.30 0.05 0.00 -1.10 0.00 0.00 41.96 41.16 1ugy s TYR 19 CO 0.01 -1.23 0.07 1.21 -2.51 0.00 0.00 175.55 173.11 1ugy s ASN 20 N -3.11 1.92 0.57 -0.18 3.84 -1.00 0.23 114.94 117.21 1ugy s ASN 20 Ca 0.23 -0.36 0.24 0.00 0.21 0.00 0.00 52.86 53.18 1ugy s ASN 20 Cb -0.02 -0.23 1.32 0.00 -0.55 0.00 0.00 41.25 41.77 1ugy s ASN 20 CO 0.14 -0.31 1.72 0.07 -2.79 0.00 0.00 177.10 175.93 1ugy h LYS 21 N 8.41 0.00 -0.02 0.43 2.10 -1.90 -0.32 116.57 125.27 1ugy h LYS 21 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1ugy h LYS 21 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1ugy h LYS 21 CO 0.24 0.00 -0.15 0.39 -2.00 0.00 0.00 179.45 177.93 1ugy n GLU 22 N -2.64 1.60 0.00 0.07 -0.58 -1.26 -3.74 120.64 114.09 1ugy n GLU 22 Ca -0.02 -1.33 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 1ugy n GLU 22 Cb 0.38 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1ugy n GLU 22 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ugy n THR 23 N 0.61 0.00 -2.94 2.62 -2.24 -0.14 -5.00 114.28 107.19 1ugy n THR 23 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1ugy n THR 23 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.96 6.98 0.00 -1.19 -4.55 120.51 116.79 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 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.87 4.09 0.00 0.00 1.01 -1.01 -2.37 121.20 120.05 1ugy s ILE 25 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1ugy s ILE 25 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1ugy s ILE 25 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1ugy n GLY 26 N 1.78 0.16 3.81 6.18 0.00 0.28 -0.78 105.19 116.60 1ugy n GLY 26 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.44 6.00 -0.16 1.61 1.01 -1.23 -4.33 116.67 119.12 1ugy s ASP 27 Ca 0.00 1.81 -0.07 0.00 0.71 0.00 0.00 52.55 54.99 1ugy s ASP 27 Cb 0.00 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.46 1ugy s ASP 27 CO 0.00 -1.02 0.37 0.12 0.21 0.00 0.00 175.17 174.85 1ugy s PHE 28 N -2.39 -0.60 -0.12 4.23 5.36 -0.46 -1.95 117.98 122.05 1ugy s PHE 28 Ca 0.64 1.24 -0.13 0.00 -0.96 0.00 0.00 56.93 57.72 1ugy s PHE 28 Cb -0.15 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.76 1ugy s PHE 28 CO 0.33 -0.37 0.36 -1.14 -1.46 0.00 0.00 175.22 172.94 1ugy s GLN 29 N 1.94 0.46 -0.03 10.12 -0.44 0.33 -1.69 119.66 130.35 1ugy s GLN 29 Ca -0.05 0.42 0.04 0.00 -2.50 0.00 0.00 55.36 53.27 1ugy s GLN 29 Cb -0.10 0.22 -0.01 0.00 -1.64 0.00 0.00 33.01 31.48 1ugy s GLN 29 CO -0.11 -0.07 -0.15 0.08 0.50 0.00 0.00 175.29 175.53 1ugy s VAL 30 N -0.01 1.23 -0.42 1.34 1.01 -1.26 -0.58 120.40 121.71 1ugy s VAL 30 Ca -0.02 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1ugy s VAL 30 Cb -0.03 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.35 1ugy s VAL 30 CO 0.01 0.36 0.29 -0.69 0.00 0.00 0.00 175.10 175.07 1ugy s VAL 31 N -0.12 4.81 0.62 2.92 1.01 0.11 -1.05 120.40 128.70 1ugy s VAL 31 Ca 0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1ugy s VAL 31 Cb -0.09 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.55 1ugy s VAL 31 CO 0.01 -0.42 0.88 -0.31 0.00 0.00 0.00 175.10 175.26 1ugy s TYR 32 N 1.57 2.69 -0.12 5.22 1.51 0.37 -1.36 117.35 127.22 1ugy s TYR 32 Ca 0.03 0.08 -0.03 0.00 -1.01 0.00 0.00 57.07 56.14 1ugy s TYR 32 Cb -0.22 -2.92 -0.03 0.00 -0.11 0.00 0.00 41.96 38.68 1ugy s TYR 32 CO 0.06 -1.15 0.01 0.34 -1.11 0.00 0.00 175.55 173.70 1ugy s ASP 33 N -4.50 5.25 -0.50 2.29 2.15 -0.18 -0.42 116.67 120.76 1ugy s ASP 33 Ca 0.59 0.09 0.03 0.00 0.43 0.00 0.00 52.55 53.69 1ugy s ASP 33 Cb -0.10 -1.64 0.15 0.00 -0.30 0.00 0.00 42.92 41.03 1ugy s ASP 33 CO 0.41 0.30 0.31 -0.22 -0.17 0.00 0.00 175.17 175.80 1ugy s LEU 34 N -0.41 3.11 -1.24 -1.34 2.96 0.69 -0.80 118.68 121.67 1ugy s LEU 34 Ca 0.08 -3.00 -0.03 0.00 -0.22 0.00 0.00 54.13 50.96 1ugy s LEU 34 Cb -0.12 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.44 1ugy s LEU 34 CO 0.02 -0.21 1.05 0.59 -1.32 0.00 0.00 176.35 176.48 1ugy n ASN 35 N 3.05 -3.31 0.00 3.68 5.03 -1.26 -2.86 115.26 119.59 1ugy n ASN 35 Ca 0.14 -0.59 0.00 0.00 0.87 0.00 0.00 54.58 55.00 1ugy n ASN 35 Cb 0.36 -5.06 0.00 0.00 -1.02 0.00 0.00 39.78 34.06 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 -1.39 1.35 3.46 7.41 0.00 -1.26 -5.05 105.19 109.71 1ugy n GLY 36 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.58 3.73 0.21 1.61 0.01 -1.13 -5.11 113.70 110.44 1ugy s SER 37 Ca 0.00 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 1ugy s SER 37 Cb 0.00 -0.49 -0.09 0.00 0.21 0.00 0.00 66.02 65.66 1ugy s SER 37 CO 0.00 0.20 1.20 -2.84 0.41 0.00 0.00 173.24 172.20 1ugy s PRO 38 N -1.95 4.50 -0.19 12.44 0.02 -1.26 -0.22 135.00 148.33 1ugy s PRO 38 Ca 0.16 1.90 -0.00 0.00 0.02 0.00 0.00 61.00 63.08 1ugy s PRO 38 Cb -0.10 -3.21 0.05 0.00 0.02 0.00 0.00 34.50 31.25 1ugy s PRO 38 CO 0.08 -0.05 -0.05 -0.47 -0.33 0.00 0.00 177.00 176.18 1ugy s TYR 39 N -0.33 1.94 -0.43 6.54 6.14 0.45 -4.85 117.35 126.82 1ugy s TYR 39 Ca 0.51 -1.34 -0.29 0.00 0.64 0.00 0.00 57.07 56.59 1ugy s TYR 39 Cb -0.33 -1.41 0.02 0.00 0.42 0.00 0.00 41.96 40.66 1ugy s TYR 39 CO 0.39 -0.68 1.21 0.08 0.64 0.00 0.00 175.55 177.19 1ugy s VAL 40 N 1.55 4.16 0.65 3.14 1.01 -1.26 -0.48 120.40 129.17 1ugy s VAL 40 Ca -0.02 1.22 -0.13 0.00 0.00 0.00 0.00 61.98 63.05 1ugy s VAL 40 Cb -0.17 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 1ugy s VAL 40 CO -0.07 -0.84 1.06 -0.83 0.00 0.00 0.00 175.10 174.42 1ugy s GLY 41 N 2.76 1.91 0.52 4.51 0.00 -0.22 -4.98 107.32 111.82 1ugy s GLY 41 Ca 0.52 0.26 -0.22 0.00 0.00 0.00 0.00 44.72 45.28 1ugy s GLY 41 CO 0.29 0.58 1.25 -0.18 0.00 0.00 0.00 173.10 175.05 1ugy n GLN 42 N -2.60 1.58 -3.11 2.90 7.27 -1.26 -4.63 117.38 117.53 1ugy n GLN 42 Ca 0.08 0.58 -0.40 0.00 0.07 0.00 0.00 57.00 57.33 1ugy n GLN 42 Cb 0.53 -2.44 -0.06 0.00 2.41 0.00 0.00 30.24 30.69 1ugy n GLN 42 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1ugy s ASN 43 N -0.88 6.64 -0.56 1.69 3.04 -1.26 -4.54 114.94 119.07 1ugy s ASN 43 Ca 0.70 0.78 -0.15 0.00 0.04 0.00 0.00 52.86 54.24 1ugy s ASN 43 Cb -0.44 -2.34 0.14 0.00 -1.54 0.00 0.00 41.25 37.06 1ugy s ASN 43 CO 0.51 -0.31 0.50 -1.00 -3.04 0.00 0.00 177.10 173.76 1ugy s HIS 44 N 2.14 3.33 0.20 0.43 3.76 -0.68 -5.02 115.29 119.45 1ugy s HIS 44 Ca 0.28 -1.47 -0.08 0.00 -0.15 0.00 0.00 55.06 53.64 1ugy s HIS 44 Cb -0.16 -3.75 -0.07 0.00 1.11 0.00 0.00 32.58 29.72 1ugy s HIS 44 CO 0.10 -1.01 0.49 0.14 -0.85 0.00 0.00 174.74 173.60 1ugy s VAL 45 N 1.40 5.01 0.54 -0.90 -7.23 -1.26 -1.35 120.40 116.62 1ugy s VAL 45 Ca 0.05 0.32 -0.18 0.00 -1.81 0.00 0.00 61.98 60.35 1ugy s VAL 45 Cb -0.27 -3.62 -0.06 0.00 0.56 0.00 0.00 36.38 32.99 1ugy s VAL 45 CO 0.01 -0.03 1.07 -0.55 -0.31 0.00 0.00 175.10 175.29 1ugy s SER 46 N -2.38 5.98 0.53 4.85 0.15 -1.26 -4.87 113.70 116.70 1ugy s SER 46 Ca 0.45 1.95 0.26 0.00 0.70 0.00 0.00 55.95 59.31 1ugy s SER 46 Cb -0.12 -2.56 1.49 0.00 -1.71 0.00 0.00 66.02 63.13 1ugy s SER 46 CO 0.22 -1.03 2.11 -0.26 1.20 0.00 0.00 173.24 175.48 1ugy h PHE 47 N 1.06 0.00 -4.89 3.44 0.04 -0.49 -3.44 116.94 112.65 1ugy h PHE 47 Ca -0.49 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 59.89 1ugy h PHE 47 Cb 1.23 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.32 1ugy h PHE 47 CO 0.56 0.09 -0.24 0.44 -0.60 0.00 0.00 178.31 178.56 1ugy n ILE 48 N -3.79 0.00 -4.27 -0.55 -5.35 -1.26 -5.04 119.36 99.10 1ugy n ILE 48 Ca -0.02 -1.44 -0.14 0.00 -0.27 0.00 0.00 62.75 60.88 1ugy n ILE 48 Cb 0.20 0.07 -0.04 0.00 -1.74 0.00 0.00 39.64 38.13 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 -1.03 0.00 -0.01 7.28 -2.24 -1.26 -4.95 114.28 112.07 1ugy n THR 49 Ca -0.08 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 1ugy n THR 49 Cb 0.40 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 0.70 1.14 3.97 3.38 0.00 -1.26 -5.11 105.19 108.01 1ugy n GLY 50 Ca -0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.29 1.61 0.08 -1.26 -4.90 117.98 114.52 1ugy s PHE 51 Ca 0.00 0.03 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 1ugy s PHE 51 Cb 0.00 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1ugy s PHE 51 CO 0.00 0.08 0.38 0.99 -0.10 0.00 0.00 175.22 176.56 1ugy s THR 52 N -2.22 5.16 0.49 0.64 2.01 0.14 -4.80 115.64 117.06 1ugy s THR 52 Ca 0.42 0.43 -0.21 0.00 0.31 0.00 0.00 61.69 62.63 1ugy s THR 52 Cb -0.09 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 1ugy s THR 52 CO 0.33 0.08 1.14 -2.84 -0.69 0.00 0.00 174.62 172.63 1ugy s PRO 53 N 2.08 3.60 -0.05 4.92 0.02 -1.26 -2.09 135.00 142.22 1ugy s PRO 53 Ca 0.14 1.67 -0.03 0.00 0.02 0.00 0.00 61.00 62.81 1ugy s PRO 53 Cb -0.16 -2.22 0.03 0.00 0.02 0.00 0.00 34.50 32.17 1ugy s PRO 53 CO 0.11 -0.66 0.12 0.08 -0.33 0.00 0.00 177.00 176.31 1ugy s VAL 54 N -1.67 -0.03 -0.13 3.83 1.01 0.65 -4.96 120.40 119.10 1ugy s VAL 54 Ca 0.68 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1ugy s VAL 54 Cb -0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 1ugy s VAL 54 CO 0.30 0.05 -0.17 -0.75 0.00 0.00 0.00 175.10 174.53 1ugy s LYS 55 N 0.75 3.20 -0.36 2.72 2.20 -1.26 -1.92 119.74 125.07 1ugy s LYS 55 Ca -0.06 -0.77 -0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1ugy s LYS 55 Cb -0.08 -2.53 0.10 0.00 -1.51 0.00 0.00 37.83 33.81 1ugy s LYS 55 CO -0.03 0.10 0.11 0.42 -0.36 0.00 0.00 175.35 175.59 1ugy s ILE 56 N 0.58 2.87 -0.26 5.43 1.09 0.50 -5.00 121.20 126.42 1ugy s ILE 56 Ca -0.10 -2.02 -0.13 0.00 -1.10 0.00 0.00 60.65 57.30 1ugy s ILE 56 Cb -0.16 -2.95 -0.04 0.00 -1.06 0.00 0.00 42.46 38.25 1ugy s ILE 56 CO 0.03 -0.54 0.27 -0.44 -0.10 0.00 0.00 174.94 174.16 1ugy s SER 57 N 1.41 6.17 -0.03 3.58 0.01 -1.26 -1.07 113.70 122.50 1ugy s SER 57 Ca 0.06 0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.45 1ugy s SER 57 Cb -0.21 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1ugy s SER 57 CO -0.05 -0.07 0.18 -0.76 0.41 0.00 0.00 173.24 172.96 1ugy s LEU 58 N 1.64 4.38 -1.38 2.44 1.43 -0.72 -4.99 118.68 121.47 1ugy s LEU 58 Ca 0.11 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 1ugy s LEU 58 Cb -0.15 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.60 1ugy s LEU 58 CO 0.09 0.30 2.17 -0.67 0.23 0.00 0.00 176.35 178.46 1ugy n ASP 59 N 1.22 3.79 -4.77 2.29 4.64 -1.26 -4.88 116.55 117.58 1ugy n ASP 59 Ca -0.13 -2.83 -0.40 0.00 -1.38 0.00 0.00 54.79 50.05 1ugy n ASP 59 Cb 0.53 -1.61 -0.03 0.00 -1.04 0.00 0.00 41.12 38.97 1ugy n ASP 59 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1ugy s PHE 60 N 3.49 3.25 -2.57 -0.67 5.36 -1.26 -0.96 117.98 124.61 1ugy s PHE 60 Ca 0.49 1.53 0.23 0.00 -0.96 0.00 0.00 56.93 58.22 1ugy s PHE 60 Cb 0.13 -3.52 0.46 0.00 -0.34 0.00 0.00 43.02 39.76 1ugy s PHE 60 CO -0.06 -1.34 1.41 -0.35 -1.46 0.00 0.00 175.22 173.42 1ugy n PRO 61 N 0.90 2.29 0.15 10.12 -0.04 -1.26 -4.88 135.00 142.28 1ugy n PRO 61 Ca -0.00 -1.93 0.13 0.00 -0.04 0.00 0.00 63.50 61.66 1ugy n PRO 61 Cb 0.43 -1.48 0.47 0.00 -0.04 0.00 0.00 33.50 32.88 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 4.03 0.00 -3.77 3.54 4.64 -1.79 -3.42 113.55 116.77 1ugy h SER 62 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 1ugy h SER 62 Cb 0.88 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.69 1ugy h SER 62 CO 0.00 0.00 -0.82 -0.70 -0.87 0.00 0.00 176.83 174.44 1ugy s GLU 63 N -3.29 2.81 0.03 4.77 2.12 -0.14 -4.96 118.70 120.05 1ugy s GLU 63 Ca 0.06 -0.79 -0.21 0.00 0.36 0.00 0.00 54.97 54.40 1ugy s GLU 63 Cb 0.10 -2.36 0.04 0.00 0.26 0.00 0.00 34.13 32.17 1ugy s GLU 63 CO 0.49 0.38 0.47 1.52 -0.54 0.00 0.00 175.26 177.59 1ugy s TYR 64 N -0.13 -0.36 0.23 5.30 -0.85 -1.26 -4.40 117.35 115.87 1ugy s TYR 64 Ca -0.03 0.42 -0.31 0.00 -0.52 0.00 0.00 57.07 56.64 1ugy s TYR 64 Cb -0.14 0.27 -0.11 0.00 0.38 0.00 0.00 41.96 42.37 1ugy s TYR 64 CO 0.04 -0.58 1.58 0.42 -1.52 0.00 0.00 175.55 175.48 1ugy s ILE 65 N -2.20 2.37 -0.01 -3.49 1.01 -1.26 -2.84 121.20 114.77 1ugy s ILE 65 Ca -0.07 0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.92 1ugy s ILE 65 Cb -0.01 -3.18 -0.09 0.00 0.01 0.00 0.00 42.46 39.19 1ugy s ILE 65 CO -0.00 0.03 0.11 0.23 0.00 0.00 0.00 174.94 175.31 1ugy n MET 66 N 3.14 0.62 -3.67 2.79 2.81 0.77 -4.78 117.12 118.80 1ugy n MET 66 Ca 0.11 -0.05 -0.11 0.00 -1.81 0.00 0.00 57.70 55.85 1ugy n MET 66 Cb 0.38 -1.14 -0.09 0.00 -0.71 0.00 0.00 33.22 31.67 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 -2.36 0.62 -0.10 0.03 2.12 -0.88 -0.69 118.70 117.43 1ugy s GLU 67 Ca -0.02 0.92 0.03 0.00 0.36 0.00 0.00 54.97 56.26 1ugy s GLU 67 Cb 0.03 0.19 -0.00 0.00 0.26 0.00 0.00 34.13 34.61 1ugy s GLU 67 CO 0.24 -0.12 -0.22 0.08 -0.54 0.00 0.00 175.26 174.70 1ugy s VAL 68 N 0.94 2.28 0.18 3.70 1.01 -0.97 -1.41 120.40 126.12 1ugy s VAL 68 Ca -0.05 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1ugy s VAL 68 Cb -0.05 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1ugy s VAL 68 CO -0.08 0.56 0.21 -0.94 0.00 0.00 0.00 175.10 174.85 1ugy s SER 69 N 0.25 0.12 0.00 3.32 1.04 -1.01 0.00 113.70 117.42 1ugy s SER 69 Ca -0.15 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1ugy s SER 69 Cb -0.17 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1ugy s SER 69 CO 0.07 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1ugy n GLY 70 N -0.23 -0.68 3.00 7.32 0.00 -0.31 -0.77 105.19 113.53 1ugy n GLY 70 Ca -0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.00 0.42 0.20 1.61 2.02 -0.84 -1.42 117.35 116.35 1ugy s TYR 71 Ca 0.00 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.37 1ugy s TYR 71 Cb 0.00 -0.27 -0.05 0.00 -0.40 0.00 0.00 41.96 41.25 1ugy s TYR 71 CO 0.00 -0.11 -0.16 0.95 -1.57 0.00 0.00 175.55 174.66 1ugy s THR 72 N -1.12 1.84 -2.80 -0.71 -4.23 -0.58 -0.55 115.64 107.48 1ugy s THR 72 Ca -0.10 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.24 1ugy s THR 72 Cb -0.08 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.73 1ugy s THR 72 CO -0.00 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 1ugy n GLY 73 N -0.26 -1.79 3.89 3.99 0.00 -0.25 -1.32 105.19 109.45 1ugy n GLY 73 Ca -0.09 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 1ugy n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ugy s ASN 74 N -1.69 6.37 -0.24 1.61 0.01 -1.26 -0.04 114.94 119.70 1ugy s ASN 74 Ca 0.00 1.11 -0.03 0.00 -0.71 0.00 0.00 52.86 53.23 1ugy s ASN 74 Cb 0.00 -2.32 0.12 0.00 0.41 0.00 0.00 41.25 39.46 1ugy s ASN 74 CO 0.00 -0.55 0.30 -0.69 -1.51 0.00 0.00 177.10 174.65 1ugy s VAL 75 N -2.66 -0.45 0.00 1.60 1.01 -0.70 -4.91 120.40 114.29 1ugy s VAL 75 Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1ugy s VAL 75 Cb -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1ugy s VAL 75 CO 0.40 -0.23 0.00 -1.20 0.00 0.00 0.00 175.10 174.07 1ugy n SER 76 N 5.34 0.00 0.16 3.32 7.64 -1.26 -2.65 113.62 126.17 1ugy n SER 76 Ca -0.04 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.96 1ugy n SER 76 Cb 0.49 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.93 1ugy n SER 76 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ugy h GLY 77 N 0.00 0.00 -3.15 0.23 0.00 -2.01 -3.47 103.07 94.67 1ugy h GLY 77 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1ugy h GLY 77 CO 0.00 0.00 0.21 -0.19 0.00 0.00 0.00 176.54 176.56 1ugy s TYR 78 N -3.18 3.58 -0.13 5.60 2.02 -1.08 -4.99 117.35 119.17 1ugy s TYR 78 Ca 0.08 1.52 -0.17 0.00 -0.37 0.00 0.00 57.07 58.12 1ugy s TYR 78 Cb 0.09 -2.73 -0.04 0.00 -0.40 0.00 0.00 41.96 38.87 1ugy s TYR 78 CO 0.66 0.21 0.43 0.08 -1.57 0.00 0.00 175.55 175.35 1ugy s VAL 79 N -1.70 5.22 0.32 0.71 1.01 -1.26 -1.72 120.40 122.98 1ugy s VAL 79 Ca 0.49 0.85 0.01 0.00 0.00 0.00 0.00 61.98 63.33 1ugy s VAL 79 Cb -0.15 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1ugy s VAL 79 CO 0.20 0.35 0.36 0.68 0.00 0.00 0.00 175.10 176.69 1ugy s VAL 80 N 0.56 0.00 -0.51 2.92 -7.23 0.94 -4.77 120.40 112.31 1ugy s VAL 80 Ca 0.23 -1.79 -0.22 0.00 -1.81 0.00 0.00 61.98 58.40 1ugy s VAL 80 Cb -0.15 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.29 1ugy s VAL 80 CO 0.09 0.00 0.76 -0.69 -0.31 0.00 0.00 175.10 174.95 1ugy s VAL 81 N -3.38 4.66 0.12 1.32 1.01 -0.32 -1.09 120.40 122.73 1ugy s VAL 81 Ca 0.35 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.32 1ugy s VAL 81 Cb 0.02 -4.39 -0.21 0.00 0.00 0.00 0.00 36.38 31.80 1ugy s VAL 81 CO 0.22 -0.90 1.28 0.03 0.00 0.00 0.00 175.10 175.72 1ugy h ARG 82 N 9.11 0.04 -3.11 2.72 3.08 -1.12 -2.69 114.38 122.41 1ugy h ARG 82 Ca -0.27 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.62 1ugy h ARG 82 Cb 1.09 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 30.98 1ugy h ARG 82 CO 1.01 1.01 -0.24 0.45 -1.07 0.00 0.00 179.97 181.13 1ugy s SER 83 N -6.78 -0.18 0.00 7.04 0.15 -1.06 -2.45 113.70 110.42 1ugy s SER 83 Ca 0.00 -0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.60 1ugy s SER 83 Cb 0.10 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1ugy s SER 83 CO 0.83 -0.54 0.05 -0.76 1.20 0.00 0.00 173.24 174.01 1ugy s LEU 84 N -1.69 1.90 0.01 3.45 1.43 -1.09 -1.98 118.68 120.71 1ugy s LEU 84 Ca -0.09 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1ugy s LEU 84 Cb -0.03 0.32 -0.01 0.00 0.03 0.00 0.00 46.19 46.51 1ugy s LEU 84 CO 0.01 -0.26 -0.02 -0.89 0.23 0.00 0.00 176.35 175.42 1ugy s THR 85 N -1.09 0.15 -0.17 5.49 2.01 0.05 -1.51 115.64 120.57 1ugy s THR 85 Ca -0.12 -0.27 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1ugy s THR 85 Cb -0.07 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 72.31 1ugy s THR 85 CO 0.00 -0.08 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.40 1ugy s PHE 86 N -0.35 2.11 -0.20 4.92 0.08 -0.03 -2.40 117.98 122.11 1ugy s PHE 86 Ca -0.03 -1.32 -0.05 0.00 0.12 0.00 0.00 56.93 55.65 1ugy s PHE 86 Cb -0.03 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.88 1ugy s PHE 86 CO -0.00 -0.68 0.01 0.21 -0.10 0.00 0.00 175.22 174.66 1ugy s LYS 87 N 1.50 3.66 0.24 0.44 2.20 -0.50 0.19 119.74 127.47 1ugy s LYS 87 Ca 0.01 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1ugy s LYS 87 Cb -0.15 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 1ugy s LYS 87 CO -0.09 0.05 0.17 0.25 -0.36 0.00 0.00 175.35 175.37 1ugy n THR 88 N 4.14 0.00 1.99 3.43 -2.24 0.08 -0.16 114.28 121.52 1ugy n THR 88 Ca -0.17 -0.98 0.08 0.00 -2.27 0.00 0.00 64.05 60.72 1ugy n THR 88 Cb 0.52 -0.25 0.49 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.86 0.03 0.00 3.42 6.94 -1.13 -4.02 115.26 118.63 1ugy n ASN 89 Ca -0.02 -1.48 0.00 0.00 -0.02 0.00 0.00 54.58 53.06 1ugy n ASN 89 Cb 0.28 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 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 -0.74 0.00 -4.15 -3.83 5.02 -1.26 -5.05 118.16 108.15 1ugy n LYS 90 Ca 0.13 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1ugy n LYS 90 Cb 0.06 -0.69 -0.07 0.00 -0.02 0.00 0.00 35.03 34.31 1ugy n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ugy s LYS 91 N -1.74 1.51 -0.12 1.97 1.02 -1.26 -5.15 119.74 115.97 1ugy s LYS 91 Ca 0.00 -1.64 0.03 0.00 0.02 0.00 0.00 55.97 54.38 1ugy s LYS 91 Cb 0.00 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1ugy s LYS 91 CO 0.00 -0.57 -0.21 0.99 -0.92 0.00 0.00 175.35 174.64 1ugy s THR 92 N -3.79 2.27 -0.30 2.17 2.01 -1.26 -0.74 115.64 115.99 1ugy s THR 92 Ca 0.34 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 1ugy s THR 92 Cb 0.03 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.67 1ugy s THR 92 CO 0.16 0.55 0.06 -0.31 -0.69 0.00 0.00 174.62 174.38 1ugy s TYR 93 N 0.53 3.18 0.00 4.92 1.51 0.13 -4.98 117.35 122.64 1ugy s TYR 93 Ca -0.13 -1.32 0.00 0.00 -1.01 0.00 0.00 57.07 54.61 1ugy s TYR 93 Cb -0.17 -2.22 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 1ugy s TYR 93 CO 0.05 -0.68 0.00 0.41 -1.11 0.00 0.00 175.55 174.22 1ugy n GLY 94 N 4.79 -0.08 3.75 0.71 0.00 -1.26 -0.85 105.19 112.25 1ugy n GLY 94 Ca -0.14 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.32 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 2.36 -0.21 1.61 0.04 -1.26 -4.98 135.00 132.56 1ugy s PRO 95 Ca 0.00 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.48 1ugy s PRO 95 Cb 0.00 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.69 1ugy s PRO 95 CO 0.00 -1.60 -0.12 0.71 0.04 0.00 0.00 177.00 176.03 1ugy s TYR 96 N -2.44 2.67 0.00 0.56 2.02 -0.57 -4.99 117.35 114.61 1ugy s TYR 96 Ca 0.67 -1.77 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 1ugy s TYR 96 Cb -0.22 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 1ugy s TYR 96 CO 0.47 -0.79 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 1ugy n GLY 97 N 4.62 -1.18 3.57 0.71 0.00 -1.26 -2.66 105.19 108.99 1ugy n GLY 97 Ca -0.16 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.08 3.25 -1.09 1.61 1.01 -1.03 -4.86 120.40 119.22 1ugy s VAL 98 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1ugy s VAL 98 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1ugy s VAL 98 CO 0.00 -0.40 2.83 0.35 0.00 0.00 0.00 175.10 177.88 1ugy n THR 99 N 7.55 4.30 -3.87 3.92 -2.24 -1.26 -4.02 114.28 118.67 1ugy n THR 99 Ca 0.27 -3.11 -0.10 0.00 -2.27 0.00 0.00 64.05 58.84 1ugy n THR 99 Cb 0.50 -2.17 -0.08 0.00 -2.10 0.00 0.00 70.33 66.48 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 1.21 0.08 0.00 3.42 0.15 -1.26 -5.09 113.70 112.22 1ugy s SER 100 Ca 0.62 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1ugy s SER 100 Cb 0.24 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1ugy s SER 100 CO -0.09 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1ugy n GLY 101 N 0.57 0.06 3.55 9.45 0.00 -1.26 -4.62 105.19 112.94 1ugy n GLY 101 Ca -0.18 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 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 0.00 5.29 0.70 2.61 2.01 -0.44 -4.91 115.64 120.91 1ugy s THR 102 Ca 0.00 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 1ugy s THR 102 Cb 0.00 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1ugy s THR 102 CO 0.00 0.06 1.08 -2.16 -0.69 0.00 0.00 174.62 172.90 1ugy s PRO 103 N 1.73 2.74 -0.04 4.92 0.04 -1.26 -1.53 135.00 141.60 1ugy s PRO 103 Ca 0.06 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 1ugy s PRO 103 Cb -0.17 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1ugy s PRO 103 CO 0.11 -1.26 0.58 -0.59 0.04 0.00 0.00 177.00 175.87 1ugy s PHE 104 N -2.85 -0.53 -0.15 0.56 -0.12 -0.50 -4.92 117.98 109.47 1ugy s PHE 104 Ca 0.61 0.89 -0.27 0.00 -0.05 0.00 0.00 56.93 58.10 1ugy s PHE 104 Cb -0.16 0.32 0.07 0.00 -0.63 0.00 0.00 43.02 42.62 1ugy s PHE 104 CO 0.52 -0.55 0.67 0.54 -0.05 0.00 0.00 175.22 176.35 1ugy s ASN 105 N -1.23 -0.68 -0.36 1.98 6.03 -1.26 -1.16 114.94 118.26 1ugy s ASN 105 Ca -0.12 1.04 0.01 0.00 -1.03 0.00 0.00 52.86 52.76 1ugy s ASN 105 Cb -0.01 0.97 0.11 0.00 -3.03 0.00 0.00 41.25 39.29 1ugy s ASN 105 CO 0.08 -0.42 0.15 -0.22 -2.03 0.00 0.00 177.10 174.66 1ugy s LEU 106 N -0.41 2.68 0.40 3.54 2.96 0.10 -4.99 118.68 122.96 1ugy s LEU 106 Ca -0.06 -2.08 -0.15 0.00 -0.22 0.00 0.00 54.13 51.63 1ugy s LEU 106 Cb -0.03 -1.01 -0.08 0.00 0.50 0.00 0.00 46.19 45.57 1ugy s LEU 106 CO 0.05 -0.35 0.82 -2.84 -1.32 0.00 0.00 176.35 172.71 1ugy s PRO 107 N 1.05 3.94 -0.18 0.98 0.02 -1.26 -2.30 135.00 137.25 1ugy s PRO 107 Ca 0.13 0.71 0.00 0.00 0.02 0.00 0.00 61.00 61.87 1ugy s PRO 107 Cb -0.20 -2.33 0.04 0.00 0.02 0.00 0.00 34.50 32.03 1ugy s PRO 107 CO -0.13 -0.02 -0.09 0.42 -0.33 0.00 0.00 177.00 176.85 1ugy s ILE 108 N -2.27 1.45 -0.00 2.83 -1.09 0.13 -4.98 121.20 117.28 1ugy s ILE 108 Ca 0.55 -0.84 -0.17 0.00 -2.23 0.00 0.00 60.65 57.97 1ugy s ILE 108 Cb -0.10 -1.54 -0.34 0.00 -1.58 0.00 0.00 42.46 38.90 1ugy s ILE 108 CO 0.24 0.19 0.92 -0.33 -1.23 0.00 0.00 174.94 174.73 1ugy h GLU 109 N 8.03 0.46 -2.67 2.79 5.08 -1.98 -3.46 114.58 122.84 1ugy h GLU 109 Ca -0.28 -0.79 -0.19 0.00 -1.00 0.00 0.00 59.36 57.10 1ugy h GLU 109 Cb 1.11 0.29 -0.31 0.00 0.50 0.00 0.00 28.75 30.34 1ugy h GLU 109 CO 0.46 1.38 -0.50 1.21 -1.00 0.00 0.00 179.01 180.56 1ugy s ASN 110 N -7.39 0.30 0.00 1.42 2.47 -1.26 -5.13 114.94 105.34 1ugy s ASN 110 Ca -0.11 0.58 0.00 0.00 0.42 0.00 0.00 52.86 53.75 1ugy s ASN 110 Cb 0.03 0.86 0.00 0.00 -1.45 0.00 0.00 41.25 40.69 1ugy s ASN 110 CO 0.90 -0.25 0.00 0.61 -3.72 0.00 0.00 177.10 174.64 1ugy n GLY 111 N 5.36 1.14 3.06 1.21 0.00 -1.26 -4.98 105.19 109.71 1ugy n GLY 111 Ca -0.06 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 2.24 -0.18 0.99 1.43 0.96 -4.96 118.68 119.15 1ugy s LEU 112 Ca 0.00 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.18 1ugy s LEU 112 Cb 0.00 0.27 -0.03 0.00 0.03 0.00 0.00 46.19 46.46 1ugy s LEU 112 CO 0.00 -0.48 0.57 -0.63 0.23 0.00 0.00 176.35 176.03 1ugy s ILE 113 N -2.81 5.08 -0.08 -0.59 1.01 -1.26 -1.61 121.20 120.94 1ugy s ILE 113 Ca -0.03 1.07 0.11 0.00 0.00 0.00 0.00 60.65 61.80 1ugy s ILE 113 Cb -0.00 -3.89 0.17 0.00 0.01 0.00 0.00 42.46 38.75 1ugy s ILE 113 CO -0.06 0.17 1.07 1.33 0.00 0.00 0.00 174.94 177.46 1ugy n VAL 114 N 4.45 1.17 0.00 2.92 0.24 0.36 -4.49 118.33 122.98 1ugy n VAL 114 Ca -0.04 -1.39 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1ugy n VAL 114 Cb 0.50 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.88 1.41 3.10 7.63 0.00 -1.25 0.11 105.19 115.32 1ugy n GLY 115 Ca 0.09 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 0.76 0.06 1.61 0.08 -1.26 -1.07 117.98 116.16 1ugy s PHE 116 Ca 0.00 -0.66 -0.19 0.00 0.12 0.00 0.00 56.93 56.19 1ugy s PHE 116 Cb 0.00 -0.45 0.04 0.00 -0.57 0.00 0.00 43.02 42.04 1ugy s PHE 116 CO 0.00 -0.11 0.45 -1.59 -0.10 0.00 0.00 175.22 173.87 1ugy s LYS 117 N -2.45 0.98 0.00 0.44 -2.85 -1.03 -1.73 119.74 113.10 1ugy s LYS 117 Ca -0.02 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 1ugy s LYS 117 Cb -0.04 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1ugy s LYS 117 CO -0.02 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.49 1ugy n GLY 118 N 0.37 -0.69 3.36 0.59 0.00 -0.26 -0.39 105.19 108.16 1ugy n GLY 118 Ca -0.18 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.45 -0.03 1.61 0.15 -0.77 -0.70 113.70 109.51 1ugy s SER 119 Ca 0.00 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.38 1ugy s SER 119 Cb 0.00 0.78 0.03 0.00 -1.71 0.00 0.00 66.02 65.12 1ugy s SER 119 CO 0.00 -0.28 0.05 -0.63 1.20 0.00 0.00 173.24 173.58 1ugy s ILE 120 N -0.27 -0.08 0.00 6.45 1.01 -0.79 -0.43 121.20 127.09 1ugy s ILE 120 Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1ugy s ILE 120 Cb -0.03 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.32 1ugy s ILE 120 CO 0.03 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1ugy n GLY 121 N 4.52 0.89 0.08 6.18 0.00 -1.26 -1.06 105.19 114.54 1ugy n GLY 121 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 0.17 -4.29 1.61 -1.99 -1.95 0.36 116.97 110.87 1ugy h TYR 122 Ca 0.00 -0.12 -0.36 0.00 2.00 0.00 0.00 58.73 60.25 1ugy h TYR 122 Cb 0.00 -0.01 -0.14 0.00 2.00 0.00 0.00 36.73 38.58 1ugy h TYR 122 CO 0.00 1.11 -0.57 -1.58 -0.00 0.00 0.00 178.16 177.11 1ugy s TRP 123 N -2.68 1.47 -0.50 4.88 0.51 -1.26 -4.48 118.94 116.88 1ugy s TRP 123 Ca -0.02 -1.40 -0.28 0.00 -2.12 0.00 0.00 56.10 52.29 1ugy s TRP 123 Cb 0.09 -0.74 -0.01 0.00 -0.81 0.00 0.00 33.47 32.00 1ugy s TRP 123 CO 0.84 -0.60 1.71 -1.17 -0.51 0.00 0.00 176.95 177.23 1ugy s LEU 124 N -3.30 3.41 0.14 2.99 2.96 0.04 -4.38 118.68 120.54 1ugy s LEU 124 Ca 0.38 0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 54.82 1ugy s LEU 124 Cb 0.06 -3.03 0.02 0.00 0.50 0.00 0.00 46.19 43.73 1ugy s LEU 124 CO 0.17 -1.95 1.65 0.44 -1.32 0.00 0.00 176.35 175.33 1ugy h ASP 125 N 13.15 0.71 -5.19 3.68 3.32 -1.05 -0.83 116.42 130.21 1ugy h ASP 125 Ca -0.29 -0.23 0.27 0.00 0.02 0.00 0.00 57.03 56.80 1ugy h ASP 125 Cb 1.14 -0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 1ugy h ASP 125 CO 1.14 0.76 0.76 -0.72 -1.72 0.00 0.00 179.24 179.46 1ugy s TYR 126 N -5.30 -0.10 0.16 4.55 -0.85 -1.22 -4.26 117.35 110.33 1ugy s TYR 126 Ca -0.13 -0.02 -0.21 0.00 -0.52 0.00 0.00 57.07 56.19 1ugy s TYR 126 Cb 0.11 0.55 0.06 0.00 0.38 0.00 0.00 41.96 43.06 1ugy s TYR 126 CO 0.79 -0.34 0.57 -0.59 -1.52 0.00 0.00 175.55 174.46 1ugy s PHE 127 N -2.57 -0.44 0.18 -3.49 -0.71 -1.26 -1.84 117.98 107.85 1ugy s PHE 127 Ca 0.12 0.18 0.02 0.00 -1.04 0.00 0.00 56.93 56.21 1ugy s PHE 127 Cb 0.02 0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 1ugy s PHE 127 CO -0.04 -0.85 -0.00 -1.12 -1.34 0.00 0.00 175.22 171.87 1ugy s SER 128 N -2.78 1.30 0.04 1.98 0.01 0.47 -4.97 113.70 109.76 1ugy s SER 128 Ca 0.02 -1.17 0.05 0.00 1.31 0.00 0.00 55.95 56.16 1ugy s SER 128 Cb -0.01 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 1ugy s SER 128 CO -0.11 -0.55 -0.15 -0.04 0.41 0.00 0.00 173.24 172.80 1ugy s MET 129 N -3.90 0.98 -0.09 12.44 -1.94 -1.26 -2.46 119.30 123.07 1ugy s MET 129 Ca 0.24 -0.76 -0.18 0.00 -1.71 0.00 0.00 55.69 53.29 1ugy s MET 129 Cb 0.06 -1.00 -0.05 0.00 2.01 0.00 0.00 34.83 35.86 1ugy s MET 129 CO 0.04 0.25 0.46 0.71 -0.01 0.00 0.00 175.02 176.48 1ugy s TYR 130 N -0.81 3.56 0.04 -0.03 1.51 -0.23 -4.98 117.35 116.41 1ugy s TYR 130 Ca 0.02 0.92 0.09 0.00 -1.01 0.00 0.00 57.07 57.09 1ugy s TYR 130 Cb -0.08 -2.50 -0.03 0.00 -0.11 0.00 0.00 41.96 39.25 1ugy s TYR 130 CO 0.01 0.27 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.97 1ugy s LEU 131 N 0.24 2.28 0.26 -1.29 1.43 -1.26 -0.49 118.68 119.84 1ugy s LEU 131 Ca 0.25 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1ugy s LEU 131 Cb -0.16 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1ugy s LEU 131 CO 0.11 0.27 0.59 -0.55 0.23 0.00 0.00 176.35 177.00 1ugy s SER 132 N -1.22 -0.18 0.00 2.29 0.15 -0.63 -4.93 113.70 109.17 1ugy s SER 132 Ca 0.12 -0.76 0.27 0.00 0.70 0.00 0.00 55.95 56.28 1ugy s SER 132 Cb -0.10 0.65 0.93 0.00 -1.71 0.00 0.00 66.02 65.80 1ugy s SER 132 CO 0.02 -1.24 1.68 0.18 1.20 0.00 0.00 173.24 175.09