#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugw s LYS 2 N 0.00 3.75 0.54 1.61 2.20 -0.10 -4.75 119.74 122.99 1ugw s LYS 2 Ca 0.00 0.06 -0.19 0.00 -0.36 0.00 0.00 55.97 55.48 1ugw s LYS 2 Cb 0.00 -3.78 -0.06 0.00 -1.51 0.00 0.00 37.83 32.48 1ugw s LYS 2 CO 0.00 -0.63 1.10 0.00 -0.36 0.00 0.00 175.35 175.46 1ugw s ALA 3 N 2.55 2.73 0.05 3.13 0.00 -1.26 -1.88 121.76 127.08 1ugw s ALA 3 Ca 0.22 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.88 1ugw s ALA 3 Cb -0.15 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1ugw s ALA 3 CO 0.13 -0.69 0.05 -0.59 0.00 0.00 0.00 175.76 174.66 1ugw s PHE 4 N -1.89 0.34 -0.28 0.00 -0.71 0.76 -4.94 117.98 111.26 1ugw s PHE 4 Ca 0.71 -0.79 0.01 0.00 -1.04 0.00 0.00 56.93 55.82 1ugw s PHE 4 Cb -0.21 -0.24 0.16 0.00 -1.21 0.00 0.00 43.02 41.51 1ugw s PHE 4 CO 0.27 -0.40 0.41 0.34 -1.34 0.00 0.00 175.22 174.49 1ugw s ASP 5 N -2.63 0.27 0.34 1.98 -1.08 -1.26 -1.08 116.67 113.20 1ugw s ASP 5 Ca 0.02 -0.19 0.15 0.00 -0.52 0.00 0.00 52.55 52.02 1ugw s ASP 5 Cb 0.04 1.15 0.56 0.00 -1.46 0.00 0.00 42.92 43.21 1ugw s ASP 5 CO -0.08 -0.34 1.69 0.44 0.52 0.00 0.00 175.17 177.40 1ugw h ASP 6 N 8.16 0.00 -4.57 -0.34 3.32 -1.65 -3.49 116.42 117.85 1ugw h ASP 6 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ugw h ASP 6 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1ugw h ASP 6 CO 0.26 0.47 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 1ugw n GLY 7 N 0.21 -1.90 3.74 2.75 0.00 -1.25 -4.96 105.19 103.78 1ugw n GLY 7 Ca -0.01 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 1ugw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ugw s ALA 8 N -1.55 3.46 0.00 4.61 0.00 -1.26 -3.99 121.76 123.03 1ugw s ALA 8 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1ugw s ALA 8 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1ugw s ALA 8 CO 0.00 0.61 0.00 1.19 0.00 0.00 0.00 175.76 177.56 1ugw n PHE 9 N 1.97 0.00 0.09 0.00 3.01 0.47 -5.00 117.46 118.00 1ugw n PHE 9 Ca -0.18 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.38 1ugw n PHE 9 Cb 0.54 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.99 1ugw n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ugw n THR 10 N 0.00 0.62 -2.31 4.37 -1.04 -0.37 -4.84 114.28 110.70 1ugw n THR 10 Ca 0.00 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1ugw n THR 10 Cb 0.00 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 1ugw n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ugw n GLY 11 N 1.21 -1.37 3.14 3.41 0.00 -1.15 -4.93 105.19 105.50 1ugw n GLY 11 Ca -0.01 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 1ugw n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugw s ILE 12 N -2.71 1.60 -0.15 -0.61 1.01 -1.26 -1.47 121.20 117.61 1ugw s ILE 12 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1ugw s ILE 12 Cb 0.00 -1.39 -0.11 0.00 0.01 0.00 0.00 42.46 40.97 1ugw s ILE 12 CO 0.00 0.46 -0.10 0.54 0.00 0.00 0.00 174.94 175.84 1ugw n ARG 13 N 3.44 0.72 -3.65 2.79 1.74 -0.14 -4.78 116.66 116.79 1ugw n ARG 13 Ca -0.20 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 56.80 1ugw n ARG 13 Cb 0.52 -1.31 -0.08 0.00 -1.02 0.00 0.00 32.46 30.58 1ugw n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ugw s GLU 14 N -2.30 0.78 -0.07 5.56 2.12 -0.87 -1.58 118.70 122.34 1ugw s GLU 14 Ca -0.18 0.48 0.04 0.00 0.36 0.00 0.00 54.97 55.67 1ugw s GLU 14 Cb 0.05 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.81 1ugw s GLU 14 CO 0.38 -0.17 -0.19 0.42 -0.54 0.00 0.00 175.26 175.17 1ugw s ILE 15 N -0.39 1.63 -0.19 -3.70 1.01 -0.13 -0.34 121.20 119.09 1ugw s ILE 15 Ca -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1ugw s ILE 15 Cb -0.03 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 41.05 1ugw s ILE 15 CO 0.04 0.46 -0.16 0.20 0.00 0.00 0.00 174.94 175.48 1ugw s ASN 16 N 0.35 3.23 0.22 3.58 0.01 0.46 -0.13 114.94 122.66 1ugw s ASN 16 Ca -0.13 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.28 1ugw s ASN 16 Cb -0.16 -1.39 -0.05 0.00 0.41 0.00 0.00 41.25 40.06 1ugw s ASN 16 CO 0.06 -0.05 0.10 -1.48 -1.51 0.00 0.00 177.10 174.21 1ugw s LEU 17 N 1.32 1.51 0.05 0.60 0.05 -0.74 -0.42 118.68 121.05 1ugw s LEU 17 Ca 0.02 -1.35 0.01 0.00 0.05 0.00 0.00 54.13 52.87 1ugw s LEU 17 Cb -0.14 0.18 -0.03 0.00 -2.05 0.00 0.00 46.19 44.15 1ugw s LEU 17 CO -0.11 -0.76 -0.06 -0.94 -0.55 0.00 0.00 176.35 173.93 1ugw s SER 18 N -3.21 0.78 0.20 1.48 1.04 -0.84 0.11 113.70 113.25 1ugw s SER 18 Ca 0.36 -0.68 -0.09 0.00 0.48 0.00 0.00 55.95 56.02 1ugw s SER 18 Cb 0.07 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 1ugw s SER 18 CO 0.11 -0.31 0.32 -0.72 0.98 0.00 0.00 173.24 173.62 1ugw s TYR 19 N -2.08 0.52 -0.09 5.02 1.13 -0.56 -0.04 117.35 121.26 1ugw s TYR 19 Ca -0.05 -0.86 0.01 0.00 -1.41 0.00 0.00 57.07 54.76 1ugw s TYR 19 Cb -0.05 -0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.76 1ugw s TYR 19 CO -0.02 -0.79 -0.10 1.21 -2.51 0.00 0.00 175.55 173.34 1ugw s ASN 20 N -3.02 1.95 0.34 -0.18 2.47 -0.93 -0.01 114.94 115.56 1ugw s ASN 20 Ca 0.23 -0.31 0.19 0.00 0.42 0.00 0.00 52.86 53.39 1ugw s ASN 20 Cb 0.03 -0.84 1.05 0.00 -1.45 0.00 0.00 41.25 40.03 1ugw s ASN 20 CO 0.05 -0.03 1.55 0.07 -3.72 0.00 0.00 177.10 175.02 1ugw h LYS 21 N 7.47 0.00 0.00 0.43 2.10 -1.89 -2.32 116.57 122.35 1ugw h LYS 21 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1ugw h LYS 21 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1ugw h LYS 21 CO 0.45 0.00 -0.93 0.39 -2.00 0.00 0.00 179.45 177.36 1ugw n GLU 22 N -2.22 2.13 0.00 0.07 1.02 -1.26 -4.69 120.64 115.70 1ugw n GLU 22 Ca -0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1ugw n GLU 22 Cb 0.15 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1ugw n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ugw n THR 23 N -1.52 0.00 -2.68 2.62 -2.24 -0.88 -5.04 114.28 104.55 1ugw n THR 23 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ugw n THR 23 Cb 0.22 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1ugw n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ugw n ALA 24 N -3.00 0.00 -1.76 6.98 0.00 -1.24 -4.59 120.51 116.90 1ugw n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1ugw n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ugw n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ugw s ILE 25 N -2.92 3.61 0.00 0.00 -1.09 -1.00 -2.18 121.20 117.63 1ugw s ILE 25 Ca 0.00 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 60.04 1ugw s ILE 25 Cb 0.00 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1ugw s ILE 25 CO 0.00 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 1ugw n GLY 26 N 1.27 0.17 3.85 6.18 0.00 0.94 -1.31 105.19 116.30 1ugw n GLY 26 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1ugw n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ugw s ASP 27 N 0.02 6.58 -0.18 1.61 1.01 -1.25 -4.27 116.67 120.20 1ugw s ASP 27 Ca 0.00 1.45 -0.08 0.00 0.71 0.00 0.00 52.55 54.63 1ugw s ASP 27 Cb 0.00 -2.46 0.07 0.00 1.01 0.00 0.00 42.92 41.55 1ugw s ASP 27 CO 0.00 -0.55 0.40 0.12 0.21 0.00 0.00 175.17 175.35 1ugw s PHE 28 N -2.58 -0.67 -0.07 4.23 5.36 -0.00 -1.99 117.98 122.26 1ugw s PHE 28 Ca 0.57 1.35 -0.09 0.00 -0.96 0.00 0.00 56.93 57.80 1ugw s PHE 28 Cb -0.10 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 42.85 1ugw s PHE 28 CO 0.32 -0.41 0.24 -1.14 -1.46 0.00 0.00 175.22 172.78 1ugw s GLN 29 N 2.06 0.38 -0.02 10.12 0.74 0.43 -1.25 119.66 132.13 1ugw s GLN 29 Ca -0.05 0.15 0.04 0.00 0.05 0.00 0.00 55.36 55.55 1ugw s GLN 29 Cb -0.10 0.18 -0.01 0.00 1.10 0.00 0.00 33.01 34.17 1ugw s GLN 29 CO -0.12 -0.07 -0.14 0.08 -0.55 0.00 0.00 175.29 174.49 1ugw s VAL 30 N -0.33 1.10 -0.35 1.34 1.01 -1.26 -0.41 120.40 121.51 1ugw s VAL 30 Ca -0.04 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1ugw s VAL 30 Cb -0.03 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1ugw s VAL 30 CO 0.01 0.32 0.23 -0.69 0.00 0.00 0.00 175.10 174.97 1ugw s VAL 31 N -0.23 5.06 0.57 2.92 1.01 0.54 -0.65 120.40 129.61 1ugw s VAL 31 Ca 0.03 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1ugw s VAL 31 Cb -0.06 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1ugw s VAL 31 CO -0.00 -0.07 0.79 -0.31 0.00 0.00 0.00 175.10 175.50 1ugw s TYR 32 N 1.67 2.32 -0.09 5.22 1.51 0.49 -0.96 117.35 127.50 1ugw s TYR 32 Ca 0.05 -0.27 -0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1ugw s TYR 32 Cb -0.18 -2.64 -0.03 0.00 -0.11 0.00 0.00 41.96 39.00 1ugw s TYR 32 CO 0.09 -1.02 -0.06 0.34 -1.11 0.00 0.00 175.55 173.79 1ugw s ASP 33 N -4.52 4.65 -0.39 2.29 2.15 -0.54 -0.71 116.67 119.60 1ugw s ASP 33 Ca 0.60 -0.07 0.02 0.00 0.43 0.00 0.00 52.55 53.53 1ugw s ASP 33 Cb -0.08 -1.37 0.12 0.00 -0.30 0.00 0.00 42.92 41.29 1ugw s ASP 33 CO 0.39 0.30 0.16 -0.22 -0.17 0.00 0.00 175.17 175.63 1ugw s LEU 34 N -0.43 3.06 -1.46 -1.34 2.96 0.11 -1.23 118.68 120.34 1ugw s LEU 34 Ca 0.06 -2.25 -0.11 0.00 -0.22 0.00 0.00 54.13 51.61 1ugw s LEU 34 Cb -0.12 -1.14 0.06 0.00 0.50 0.00 0.00 46.19 45.48 1ugw s LEU 34 CO 0.02 -0.33 1.00 0.59 -1.32 0.00 0.00 176.35 176.31 1ugw n ASN 35 N 4.06 -4.67 0.00 3.68 5.03 -1.26 -2.09 115.26 120.01 1ugw n ASN 35 Ca 0.04 -0.73 0.00 0.00 0.87 0.00 0.00 54.58 54.76 1ugw n ASN 35 Cb 0.38 -4.20 0.00 0.00 -1.02 0.00 0.00 39.78 34.94 1ugw n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ugw n GLY 36 N -1.74 0.56 3.40 7.41 0.00 -1.26 -5.06 105.19 108.50 1ugw n GLY 36 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1ugw n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugw s SER 37 N -2.50 3.60 0.43 1.61 0.01 -0.89 -5.10 113.70 110.86 1ugw s SER 37 Ca 0.00 -0.32 -0.25 0.00 1.31 0.00 0.00 55.95 56.69 1ugw s SER 37 Cb 0.00 -0.64 -0.08 0.00 0.21 0.00 0.00 66.02 65.51 1ugw s SER 37 CO 0.00 0.33 1.33 -2.84 0.41 0.00 0.00 173.24 172.47 1ugw s PRO 38 N -0.66 3.81 -0.12 12.44 0.02 -1.26 0.04 135.00 149.27 1ugw s PRO 38 Ca 0.10 2.20 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 1ugw s PRO 38 Cb -0.10 -2.66 0.04 0.00 0.02 0.00 0.00 34.50 31.80 1ugw s PRO 38 CO -0.00 -0.64 0.04 -0.47 -0.33 0.00 0.00 177.00 175.60 1ugw s TYR 39 N -1.27 0.58 -0.30 6.54 6.14 0.11 -4.80 117.35 124.35 1ugw s TYR 39 Ca 0.60 -0.34 -0.28 0.00 0.64 0.00 0.00 57.07 57.69 1ugw s TYR 39 Cb -0.39 -0.80 0.01 0.00 0.42 0.00 0.00 41.96 41.20 1ugw s TYR 39 CO 0.50 -0.43 1.00 0.08 0.64 0.00 0.00 175.55 177.33 1ugw s VAL 40 N 2.00 4.61 0.67 3.14 1.01 -1.26 -0.38 120.40 130.19 1ugw s VAL 40 Ca 0.03 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 1ugw s VAL 40 Cb -0.14 -4.33 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 1ugw s VAL 40 CO -0.07 -0.36 1.05 -0.83 0.00 0.00 0.00 175.10 174.90 1ugw s GLY 41 N 1.55 1.72 0.45 4.51 0.00 0.17 -4.97 107.32 110.75 1ugw s GLY 41 Ca 0.42 0.10 -0.25 0.00 0.00 0.00 0.00 44.72 44.99 1ugw s GLY 41 CO 0.13 0.41 1.34 1.20 0.00 0.00 0.00 173.10 176.18 1ugw s GLN 42 N -4.93 3.73 -0.17 2.90 -1.52 -1.26 -4.61 119.66 113.80 1ugw s GLN 42 Ca 0.58 2.23 -0.29 0.00 -1.95 0.00 0.00 55.36 55.94 1ugw s GLN 42 Cb -0.14 -2.62 -0.00 0.00 -0.22 0.00 0.00 33.01 30.03 1ugw s GLN 42 CO 0.52 -0.71 0.99 1.21 -0.25 0.00 0.00 175.29 177.06 1ugw s ASN 43 N -0.74 7.14 -0.47 5.90 3.84 -1.26 -4.58 114.94 124.77 1ugw s ASN 43 Ca 0.61 1.41 -0.14 0.00 0.21 0.00 0.00 52.86 54.95 1ugw s ASN 43 Cb -0.40 -2.53 0.08 0.00 -0.55 0.00 0.00 41.25 37.85 1ugw s ASN 43 CO 0.50 -0.54 0.39 -1.00 -2.79 0.00 0.00 177.10 173.66 1ugw s HIS 44 N 2.54 3.26 0.05 0.43 3.76 -0.38 -5.00 115.29 119.96 1ugw s HIS 44 Ca 0.45 -1.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1ugw s HIS 44 Cb -0.17 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 1ugw s HIS 44 CO 0.12 -0.84 0.18 0.15 -0.85 0.00 0.00 174.74 173.50 1ugw s LYS 45 N 1.60 3.31 0.71 1.40 1.02 -1.26 -0.82 119.74 125.70 1ugw s LYS 45 Ca 0.04 -0.48 -0.13 0.00 0.02 0.00 0.00 55.97 55.42 1ugw s LYS 45 Cb -0.25 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.11 1ugw s LYS 45 CO 0.05 0.61 1.10 0.45 -0.92 0.00 0.00 175.35 176.65 1ugw s SER 46 N -2.40 4.82 0.22 2.83 0.15 -1.26 -4.84 113.70 113.21 1ugw s SER 46 Ca 0.33 1.94 0.23 0.00 0.70 0.00 0.00 55.95 59.14 1ugw s SER 46 Cb -0.13 -2.54 0.92 0.00 -1.71 0.00 0.00 66.02 62.57 1ugw s SER 46 CO 0.25 -1.82 1.70 0.49 1.20 0.00 0.00 173.24 175.06 1ugw n PHE 47 N -2.89 0.72 -4.62 3.44 3.72 0.18 -4.82 117.46 113.19 1ugw n PHE 47 Ca 0.10 0.27 -0.29 0.00 -0.05 0.00 0.00 57.45 57.48 1ugw n PHE 47 Cb 0.52 -0.93 -0.07 0.00 -0.94 0.00 0.00 39.48 38.06 1ugw n PHE 47 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1ugw n ILE 48 N -2.14 0.00 -4.27 4.37 -5.35 -1.26 -5.03 119.36 105.67 1ugw n ILE 48 Ca 0.03 -2.36 -0.12 0.00 -0.27 0.00 0.00 62.75 60.03 1ugw n ILE 48 Cb 0.25 0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 38.79 1ugw n ILE 48 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ugw n THR 49 N -1.08 0.00 -0.05 7.28 -2.24 -1.26 -4.91 114.28 112.03 1ugw n THR 49 Ca -0.13 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1ugw n THR 49 Cb 0.62 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1ugw n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugw n GLY 50 N 2.26 0.97 3.96 3.38 0.00 -1.26 -5.10 105.19 109.40 1ugw n GLY 50 Ca -0.07 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1ugw n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugw s PHE 51 N -2.00 3.47 -0.26 1.61 0.08 -1.26 -4.84 117.98 114.77 1ugw s PHE 51 Ca 0.00 0.08 -0.11 0.00 0.12 0.00 0.00 56.93 57.03 1ugw s PHE 51 Cb 0.00 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1ugw s PHE 51 CO 0.00 0.39 0.18 0.99 -0.10 0.00 0.00 175.22 176.68 1ugw s THR 52 N -2.00 5.33 0.34 0.64 2.01 0.98 -4.84 115.64 118.10 1ugw s THR 52 Ca 0.35 0.18 -0.26 0.00 0.31 0.00 0.00 61.69 62.27 1ugw s THR 52 Cb -0.09 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 1ugw s THR 52 CO 0.30 0.29 1.02 -2.16 -0.69 0.00 0.00 174.62 173.38 1ugw s PRO 53 N 1.46 4.45 -0.04 4.92 0.04 -1.26 -1.49 135.00 143.08 1ugw s PRO 53 Ca 0.07 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.66 1ugw s PRO 53 Cb -0.15 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1ugw s PRO 53 CO 0.08 0.12 -0.07 0.08 0.04 0.00 0.00 177.00 177.25 1ugw s VAL 54 N -1.49 0.67 -0.19 -0.36 1.01 0.12 -4.97 120.40 115.19 1ugw s VAL 54 Ca 0.51 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 1ugw s VAL 54 Cb -0.24 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1ugw s VAL 54 CO 0.30 0.23 -0.15 -0.75 0.00 0.00 0.00 175.10 174.73 1ugw s LYS 55 N 0.52 3.12 -0.42 2.72 2.20 -1.26 -1.79 119.74 124.83 1ugw s LYS 55 Ca -0.08 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.70 1ugw s LYS 55 Cb -0.11 -2.70 0.10 0.00 -1.51 0.00 0.00 37.83 33.60 1ugw s LYS 55 CO 0.01 -0.18 0.25 0.42 -0.36 0.00 0.00 175.35 175.49 1ugw s ILE 56 N 1.30 3.91 -0.41 5.43 1.01 0.81 -4.99 121.20 128.25 1ugw s ILE 56 Ca 0.04 -1.67 -0.15 0.00 0.00 0.00 0.00 60.65 58.87 1ugw s ILE 56 Cb -0.14 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.85 1ugw s ILE 56 CO -0.09 -0.60 0.32 -0.55 0.00 0.00 0.00 174.94 174.02 1ugw s SER 57 N 2.15 6.12 0.22 3.58 0.15 -1.26 -0.96 113.70 123.70 1ugw s SER 57 Ca 0.05 -0.91 -0.15 0.00 0.70 0.00 0.00 55.95 55.63 1ugw s SER 57 Cb -0.24 -2.17 -0.08 0.00 -1.71 0.00 0.00 66.02 61.83 1ugw s SER 57 CO -0.00 -0.47 0.63 -0.76 1.20 0.00 0.00 173.24 173.84 1ugw s LEU 58 N 1.71 4.24 -1.38 3.45 1.43 -0.61 -4.98 118.68 122.54 1ugw s LEU 58 Ca 0.05 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.21 1ugw s LEU 58 Cb -0.19 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.51 1ugw s LEU 58 CO 0.10 -0.02 2.09 -0.67 0.23 0.00 0.00 176.35 178.08 1ugw n ASP 59 N 0.33 4.60 -4.76 2.29 2.03 -1.26 -4.85 116.55 114.93 1ugw n ASP 59 Ca -0.01 -2.96 -0.41 0.00 0.52 0.00 0.00 54.79 51.92 1ugw n ASP 59 Cb 0.52 -1.57 -0.02 0.00 -0.72 0.00 0.00 41.12 39.33 1ugw n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ugw s PHE 60 N 1.84 2.87 -2.42 -0.67 5.36 -1.26 -1.05 117.98 122.65 1ugw s PHE 60 Ca 0.44 1.15 0.23 0.00 -0.96 0.00 0.00 56.93 57.79 1ugw s PHE 60 Cb 0.12 -3.87 0.41 0.00 -0.34 0.00 0.00 43.02 39.34 1ugw s PHE 60 CO -0.05 -2.64 1.38 -0.35 -1.46 0.00 0.00 175.22 172.10 1ugw n PRO 61 N 1.35 2.47 0.16 10.12 -0.04 -1.26 -4.87 135.00 142.93 1ugw n PRO 61 Ca 0.03 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 1ugw n PRO 61 Cb 0.40 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.61 1ugw n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ugw h SER 62 N 4.38 0.00 -3.29 3.54 4.64 -1.76 -3.42 113.55 117.64 1ugw h SER 62 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1ugw h SER 62 Cb 0.97 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.88 1ugw h SER 62 CO 0.00 0.51 -0.61 -0.70 -0.87 0.00 0.00 176.83 175.16 1ugw s GLU 63 N -3.86 3.82 0.04 4.77 2.12 -0.21 -4.95 118.70 120.43 1ugw s GLU 63 Ca -0.02 -0.42 -0.10 0.00 0.36 0.00 0.00 54.97 54.79 1ugw s GLU 63 Cb 0.13 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.46 1ugw s GLU 63 CO 0.75 0.27 0.22 1.52 -0.54 0.00 0.00 175.26 177.48 1ugw s TYR 64 N 0.33 0.02 0.15 5.30 1.13 -1.26 -4.29 117.35 118.73 1ugw s TYR 64 Ca 0.00 -0.23 -0.31 0.00 -1.41 0.00 0.00 57.07 55.12 1ugw s TYR 64 Cb -0.13 0.00 -0.09 0.00 -1.10 0.00 0.00 41.96 40.64 1ugw s TYR 64 CO 0.01 -0.46 1.44 0.42 -2.51 0.00 0.00 175.55 174.45 1ugw s ILE 65 N -2.64 3.03 -0.05 -3.49 -1.09 -1.26 -2.70 121.20 113.00 1ugw s ILE 65 Ca -0.04 0.76 0.08 0.00 -2.23 0.00 0.00 60.65 59.22 1ugw s ILE 65 Cb -0.01 -3.49 -0.12 0.00 -1.58 0.00 0.00 42.46 37.27 1ugw s ILE 65 CO -0.04 0.07 0.19 0.23 -1.23 0.00 0.00 174.94 174.16 1ugw n MET 66 N 3.60 0.69 -3.66 2.79 2.81 0.89 -4.75 117.12 119.50 1ugw n MET 66 Ca 0.11 -0.06 -0.12 0.00 -1.81 0.00 0.00 57.70 55.81 1ugw n MET 66 Cb 0.41 -1.15 -0.08 0.00 -0.71 0.00 0.00 33.22 31.69 1ugw n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ugw s GLU 67 N -2.46 0.70 -0.10 0.03 2.12 -0.88 -0.31 118.70 117.80 1ugw s GLU 67 Ca -0.02 0.92 0.03 0.00 0.36 0.00 0.00 54.97 56.26 1ugw s GLU 67 Cb 0.05 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.74 1ugw s GLU 67 CO 0.33 -0.10 -0.21 0.08 -0.54 0.00 0.00 175.26 174.82 1ugw s VAL 68 N 0.61 1.83 0.17 3.70 1.01 -0.86 -0.99 120.40 125.87 1ugw s VAL 68 Ca -0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1ugw s VAL 68 Cb -0.05 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1ugw s VAL 68 CO -0.03 0.51 0.07 -0.94 0.00 0.00 0.00 175.10 174.71 1ugw s SER 69 N 0.54 0.53 0.00 3.32 1.04 -0.65 0.21 113.70 118.69 1ugw s SER 69 Ca -0.15 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1ugw s SER 69 Cb -0.17 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1ugw s SER 69 CO 0.05 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1ugw n GLY 70 N -0.21 -0.81 2.95 7.32 0.00 -0.57 -0.58 105.19 113.30 1ugw n GLY 70 Ca -0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1ugw n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugw s TYR 71 N -3.00 0.31 0.09 1.61 1.51 -1.00 -1.64 117.35 115.23 1ugw s TYR 71 Ca 0.00 -0.22 0.09 0.00 -1.01 0.00 0.00 57.07 55.93 1ugw s TYR 71 Cb 0.00 -0.20 -0.04 0.00 -0.11 0.00 0.00 41.96 41.61 1ugw s TYR 71 CO 0.00 -0.05 -0.21 0.95 -1.11 0.00 0.00 175.55 175.12 1ugw s THR 72 N -0.56 2.58 0.07 -0.71 -4.23 -0.01 -0.65 115.64 112.13 1ugw s THR 72 Ca -0.04 -1.45 -0.27 0.00 -1.18 0.00 0.00 61.69 58.74 1ugw s THR 72 Cb -0.04 -2.12 0.09 0.00 1.34 0.00 0.00 72.50 71.77 1ugw s THR 72 CO -0.00 0.21 1.14 -0.83 -0.54 0.00 0.00 174.62 174.60 1ugw s GLY 73 N -1.77 -0.29 -0.00 3.99 0.00 -0.40 -0.33 107.32 108.52 1ugw s GLY 73 Ca 0.15 0.36 -0.26 0.00 0.00 0.00 0.00 44.72 44.97 1ugw s GLY 73 CO 0.06 0.47 0.79 0.21 0.00 0.00 0.00 173.10 174.64 1ugw s ASN 74 N -3.03 7.17 -0.14 1.64 3.84 -1.26 -0.95 114.94 122.21 1ugw s ASN 74 Ca 0.15 1.41 -0.03 0.00 0.21 0.00 0.00 52.86 54.60 1ugw s ASN 74 Cb 0.02 -2.47 0.05 0.00 -0.55 0.00 0.00 41.25 38.29 1ugw s ASN 74 CO -0.01 -0.09 0.03 -0.69 -2.79 0.00 0.00 177.10 173.56 1ugw s VAL 75 N 0.45 0.34 -1.45 -5.21 1.01 0.13 -4.81 120.40 110.85 1ugw s VAL 75 Ca 0.41 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1ugw s VAL 75 Cb -0.20 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.49 1ugw s VAL 75 CO 0.22 -0.03 0.67 -1.20 0.00 0.00 0.00 175.10 174.76 1ugw n SER 76 N 5.14 -5.21 0.00 3.32 7.64 -1.26 -1.32 113.62 121.92 1ugw n SER 76 Ca -0.08 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.40 1ugw n SER 76 Cb 0.49 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.47 1ugw n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ugw n GLY 77 N -1.47 0.86 3.46 0.23 0.00 -1.26 -5.04 105.19 101.97 1ugw n GLY 77 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1ugw n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ugw s TYR 78 N -3.33 2.72 -0.24 1.61 2.02 -0.44 -5.07 117.35 114.63 1ugw s TYR 78 Ca 0.00 -0.24 -0.24 0.00 -0.37 0.00 0.00 57.07 56.22 1ugw s TYR 78 Cb 0.00 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1ugw s TYR 78 CO 0.00 0.12 0.81 0.08 -1.57 0.00 0.00 175.55 174.99 1ugw s VAL 79 N -0.54 4.86 0.27 0.71 1.01 -1.26 0.20 120.40 125.64 1ugw s VAL 79 Ca 0.07 1.53 0.03 0.00 0.00 0.00 0.00 61.98 63.61 1ugw s VAL 79 Cb -0.12 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1ugw s VAL 79 CO 0.01 -0.05 0.18 0.68 0.00 0.00 0.00 175.10 175.92 1ugw s VAL 80 N 2.75 0.11 -0.44 2.92 -7.23 -0.13 -4.79 120.40 113.60 1ugw s VAL 80 Ca 0.34 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.28 1ugw s VAL 80 Cb -0.15 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.30 1ugw s VAL 80 CO 0.08 0.00 0.77 -0.69 -0.31 0.00 0.00 175.10 174.95 1ugw s VAL 81 N -3.80 4.68 -0.20 1.32 1.01 0.01 -1.27 120.40 122.15 1ugw s VAL 81 Ca 0.39 0.46 0.19 0.00 0.00 0.00 0.00 61.98 63.02 1ugw s VAL 81 Cb 0.05 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.14 1ugw s VAL 81 CO 0.18 -0.66 1.09 0.03 0.00 0.00 0.00 175.10 175.74 1ugw h ARG 82 N 8.90 0.00 -2.79 2.72 3.08 -1.18 -2.64 114.38 122.47 1ugw h ARG 82 Ca -0.25 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1ugw h ARG 82 Cb 1.09 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.95 1ugw h ARG 82 CO 0.95 0.19 -0.13 0.45 -1.07 0.00 0.00 179.97 180.36 1ugw s SER 83 N -5.80 -0.32 0.01 7.04 0.15 -1.17 -0.97 113.70 112.64 1ugw s SER 83 Ca 0.00 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1ugw s SER 83 Cb 0.08 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.77 1ugw s SER 83 CO 0.78 -0.53 -0.02 -0.76 1.20 0.00 0.00 173.24 173.91 1ugw s LEU 84 N -1.44 2.12 -0.01 3.45 1.43 -0.83 -2.37 118.68 121.02 1ugw s LEU 84 Ca -0.11 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1ugw s LEU 84 Cb -0.03 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.25 1ugw s LEU 84 CO 0.04 -0.15 -0.01 -0.89 0.23 0.00 0.00 176.35 175.57 1ugw s THR 85 N -0.76 0.14 -0.15 5.49 2.01 0.25 -1.31 115.64 121.32 1ugw s THR 85 Ca -0.08 0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.96 1ugw s THR 85 Cb -0.05 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.29 1ugw s THR 85 CO -0.01 0.09 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.44 1ugw s PHE 86 N 0.49 2.67 -0.18 4.92 0.40 0.45 -1.64 117.98 125.08 1ugw s PHE 86 Ca -0.05 -1.39 -0.02 0.00 -0.60 0.00 0.00 56.93 54.87 1ugw s PHE 86 Cb -0.07 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.63 1ugw s PHE 86 CO -0.01 -0.64 -0.08 0.21 0.70 0.00 0.00 175.22 175.39 1ugw s LYS 87 N 0.90 3.38 0.48 0.44 2.20 -0.16 0.52 119.74 127.50 1ugw s LYS 87 Ca -0.05 -0.65 0.05 0.00 -0.36 0.00 0.00 55.97 54.96 1ugw s LYS 87 Cb -0.15 -2.84 0.05 0.00 -1.51 0.00 0.00 37.83 33.38 1ugw s LYS 87 CO -0.04 -0.02 0.41 0.25 -0.36 0.00 0.00 175.35 175.59 1ugw n THR 88 N 4.25 0.00 1.13 3.43 -2.24 0.34 -0.07 114.28 121.12 1ugw n THR 88 Ca -0.18 -1.84 0.11 0.00 -2.27 0.00 0.00 64.05 59.87 1ugw n THR 88 Cb 0.52 -0.18 0.59 0.00 -2.10 0.00 0.00 70.33 69.16 1ugw n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ugw n ASN 89 N -1.95 0.00 -0.05 3.42 6.94 -1.10 -3.61 115.26 118.91 1ugw n ASN 89 Ca 0.01 -0.15 -0.07 0.00 -0.02 0.00 0.00 54.58 54.35 1ugw n ASN 89 Cb 0.53 -0.24 -0.06 0.00 -2.36 0.00 0.00 39.78 37.66 1ugw n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ugw n LYS 90 N -1.24 0.95 -3.85 -3.83 5.02 -1.26 -5.06 118.16 108.89 1ugw n LYS 90 Ca 0.12 0.04 -0.06 0.00 -2.02 0.00 0.00 58.31 56.40 1ugw n LYS 90 Cb 0.16 -1.22 0.02 0.00 -0.02 0.00 0.00 35.03 33.98 1ugw n LYS 90 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ugw s LYS 91 N -2.21 1.73 -0.14 1.97 0.00 -1.24 -5.16 119.74 114.69 1ugw s LYS 91 Ca -0.12 -1.11 -0.02 0.00 0.00 0.00 0.00 55.97 54.73 1ugw s LYS 91 Cb 0.03 0.48 -0.02 0.00 0.00 0.00 0.00 37.83 38.33 1ugw s LYS 91 CO 0.28 -0.81 -0.08 0.99 0.00 0.00 0.00 175.35 175.73 1ugw s THR 92 N -2.24 3.51 -0.27 3.79 2.01 -1.26 -0.51 115.64 120.68 1ugw s THR 92 Ca 0.19 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1ugw s THR 92 Cb -0.04 -2.50 0.03 0.00 0.01 0.00 0.00 72.50 69.99 1ugw s THR 92 CO 0.08 0.52 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.20 1ugw s TYR 93 N 0.24 3.12 0.00 4.92 1.51 0.18 -4.99 117.35 122.33 1ugw s TYR 93 Ca -0.05 -1.45 0.00 0.00 -1.01 0.00 0.00 57.07 54.56 1ugw s TYR 93 Cb -0.15 -2.12 0.00 0.00 -0.11 0.00 0.00 41.96 39.58 1ugw s TYR 93 CO 0.04 -0.70 0.00 0.41 -1.11 0.00 0.00 175.55 174.19 1ugw n GLY 94 N 4.72 0.20 3.78 0.71 0.00 -1.26 -0.41 105.19 112.92 1ugw n GLY 94 Ca -0.15 -2.30 -0.35 0.00 0.00 0.00 0.00 46.02 43.21 1ugw n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugw s PRO 95 N 0.00 3.47 -0.13 1.61 0.04 -1.26 -4.98 135.00 133.75 1ugw s PRO 95 Ca 0.00 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.65 1ugw s PRO 95 Cb 0.00 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 1ugw s PRO 95 CO 0.00 -0.75 -0.19 0.71 0.04 0.00 0.00 177.00 176.81 1ugw s TYR 96 N -1.77 2.69 0.00 0.56 2.02 -0.42 -4.98 117.35 115.45 1ugw s TYR 96 Ca 0.71 -1.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1ugw s TYR 96 Cb -0.23 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 1ugw s TYR 96 CO 0.27 -0.45 0.00 0.41 -1.57 0.00 0.00 175.55 174.20 1ugw n GLY 97 N 3.82 0.02 3.46 0.71 0.00 -1.26 -1.97 105.19 109.98 1ugw n GLY 97 Ca -0.19 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 1ugw n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ugw s VAL 98 N 0.00 4.36 -1.34 1.61 1.01 -0.14 -4.84 120.40 121.05 1ugw s VAL 98 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1ugw s VAL 98 Cb 0.00 -3.03 0.11 0.00 0.00 0.00 0.00 36.38 33.46 1ugw s VAL 98 CO 0.00 0.35 2.23 0.35 0.00 0.00 0.00 175.10 178.03 1ugw n THR 99 N 4.78 4.71 -3.86 3.92 -2.24 -1.26 -3.84 114.28 116.49 1ugw n THR 99 Ca -0.16 -4.12 -0.12 0.00 -2.27 0.00 0.00 64.05 57.39 1ugw n THR 99 Cb 0.52 -2.27 -0.12 0.00 -2.10 0.00 0.00 70.33 66.36 1ugw n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ugw s SER 100 N 0.88 -0.04 0.00 3.42 0.15 -1.26 -5.10 113.70 111.75 1ugw s SER 100 Ca 0.49 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1ugw s SER 100 Cb 0.15 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1ugw s SER 100 CO -0.05 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1ugw n GLY 101 N 2.41 0.13 3.62 9.45 0.00 -1.26 -4.58 105.19 114.95 1ugw n GLY 101 Ca -0.17 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 1ugw n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugw s THR 102 N 0.00 5.32 0.61 2.61 2.01 0.55 -4.89 115.64 121.86 1ugw s THR 102 Ca 0.00 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 1ugw s THR 102 Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1ugw s THR 102 CO 0.00 0.28 1.03 -2.16 -0.69 0.00 0.00 174.62 173.08 1ugw s PRO 103 N 1.52 3.60 0.07 4.92 0.04 -1.26 -0.83 135.00 143.06 1ugw s PRO 103 Ca 0.08 0.79 -0.13 0.00 0.04 0.00 0.00 61.00 61.78 1ugw s PRO 103 Cb -0.15 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1ugw s PRO 103 CO 0.09 -0.57 0.29 -0.59 0.04 0.00 0.00 177.00 176.26 1ugw s PHE 104 N -3.11 -0.06 -0.27 0.56 -0.12 -0.65 -4.91 117.98 109.42 1ugw s PHE 104 Ca 0.56 -0.18 -0.25 0.00 -0.05 0.00 0.00 56.93 57.01 1ugw s PHE 104 Cb -0.11 0.08 0.08 0.00 -0.63 0.00 0.00 43.02 42.44 1ugw s PHE 104 CO 0.51 -0.54 0.79 0.54 -0.05 0.00 0.00 175.22 176.47 1ugw s ASN 105 N -2.36 -0.68 -0.38 1.98 4.22 -1.26 -1.51 114.94 114.94 1ugw s ASN 105 Ca -0.01 1.31 0.02 0.00 -2.14 0.00 0.00 52.86 52.03 1ugw s ASN 105 Cb 0.01 1.32 0.11 0.00 1.28 0.00 0.00 41.25 43.97 1ugw s ASN 105 CO -0.06 -0.24 0.14 -0.22 -2.04 0.00 0.00 177.10 174.68 1ugw s LEU 106 N 0.31 3.39 0.22 3.54 2.96 0.13 -4.99 118.68 124.25 1ugw s LEU 106 Ca 0.00 -2.22 -0.15 0.00 -0.22 0.00 0.00 54.13 51.54 1ugw s LEU 106 Cb -0.05 -1.24 -0.08 0.00 0.50 0.00 0.00 46.19 45.32 1ugw s LEU 106 CO -0.00 -0.34 0.65 -2.84 -1.32 0.00 0.00 176.35 172.49 1ugw s PRO 107 N 0.84 4.04 -0.16 0.98 0.02 -1.26 -2.04 135.00 137.43 1ugw s PRO 107 Ca 0.13 0.62 0.01 0.00 0.02 0.00 0.00 61.00 61.78 1ugw s PRO 107 Cb -0.21 -2.76 0.02 0.00 0.02 0.00 0.00 34.50 31.57 1ugw s PRO 107 CO -0.10 0.35 -0.18 0.42 -0.33 0.00 0.00 177.00 177.16 1ugw s ILE 108 N -1.65 1.83 -0.04 2.83 1.01 0.58 -4.98 121.20 120.78 1ugw s ILE 108 Ca 0.45 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1ugw s ILE 108 Cb -0.14 -1.67 -0.29 0.00 0.01 0.00 0.00 42.46 40.37 1ugw s ILE 108 CO 0.20 0.50 0.71 -0.33 0.00 0.00 0.00 174.94 176.02 1ugw h GLU 109 N 7.86 0.31 -2.92 2.79 5.08 -1.98 -3.47 114.58 122.26 1ugw h GLU 109 Ca -0.40 -0.53 -0.20 0.00 -1.00 0.00 0.00 59.36 57.23 1ugw h GLU 109 Cb 1.15 0.20 -0.31 0.00 0.50 0.00 0.00 28.75 30.29 1ugw h GLU 109 CO 0.58 1.19 -0.50 1.21 -1.00 0.00 0.00 179.01 180.49 1ugw s ASN 110 N -7.09 0.02 0.00 1.42 3.04 -1.26 -5.13 114.94 105.94 1ugw s ASN 110 Ca -0.13 0.58 0.00 0.00 0.04 0.00 0.00 52.86 53.35 1ugw s ASN 110 Cb 0.06 0.58 0.00 0.00 -1.54 0.00 0.00 41.25 40.35 1ugw s ASN 110 CO 0.84 -0.20 0.00 0.61 -3.04 0.00 0.00 177.10 175.31 1ugw n GLY 111 N 4.78 1.28 2.98 1.21 0.00 -1.26 -4.99 105.19 109.20 1ugw n GLY 111 Ca -0.16 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.61 1ugw n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugw s LEU 112 N 0.00 2.21 -0.09 0.99 1.43 0.92 -4.97 118.68 119.17 1ugw s LEU 112 Ca 0.00 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 1ugw s LEU 112 Cb 0.00 0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.31 1ugw s LEU 112 CO 0.00 -0.30 0.79 -0.63 0.23 0.00 0.00 176.35 176.44 1ugw s ILE 113 N -1.43 4.97 0.00 -0.59 1.01 -1.26 -1.11 121.20 122.79 1ugw s ILE 113 Ca -0.16 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1ugw s ILE 113 Cb -0.10 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1ugw s ILE 113 CO -0.01 0.17 0.85 1.33 0.00 0.00 0.00 174.94 177.28 1ugw n VAL 114 N 4.09 0.70 0.00 2.92 0.24 0.14 -4.53 118.33 121.90 1ugw n VAL 114 Ca 0.02 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 1ugw n VAL 114 Cb 0.50 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 1ugw n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ugw n GLY 115 N -0.35 0.66 3.13 7.63 0.00 -1.24 -0.39 105.19 114.63 1ugw n GLY 115 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1ugw n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ugw s PHE 116 N -2.00 0.88 0.08 1.61 0.08 -1.26 -1.04 117.98 116.33 1ugw s PHE 116 Ca 0.00 -0.64 -0.14 0.00 0.12 0.00 0.00 56.93 56.28 1ugw s PHE 116 Cb 0.00 -0.50 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1ugw s PHE 116 CO 0.00 -0.06 0.31 -1.59 -0.10 0.00 0.00 175.22 173.78 1ugw s LYS 117 N -2.47 0.90 0.00 0.44 -2.85 -0.96 -1.44 119.74 113.36 1ugw s LYS 117 Ca 0.00 -0.66 0.00 0.00 -1.00 0.00 0.00 55.97 54.32 1ugw s LYS 117 Cb -0.04 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1ugw s LYS 117 CO -0.01 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.54 1ugw n GLY 118 N 0.20 -0.64 3.31 0.59 0.00 -0.24 -0.61 105.19 107.80 1ugw n GLY 118 Ca -0.17 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1ugw n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ugw s SER 119 N -4.00 -0.40 -0.04 1.61 0.15 -0.86 -0.17 113.70 109.99 1ugw s SER 119 Ca 0.00 0.69 -0.00 0.00 0.70 0.00 0.00 55.95 57.33 1ugw s SER 119 Cb 0.00 0.73 0.03 0.00 -1.71 0.00 0.00 66.02 65.07 1ugw s SER 119 CO 0.00 -0.23 0.00 -0.63 1.20 0.00 0.00 173.24 173.59 1ugw s ILE 120 N -0.15 0.22 0.00 6.45 1.01 -0.79 -0.39 121.20 127.55 1ugw s ILE 120 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1ugw s ILE 120 Cb -0.03 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.09 1ugw s ILE 120 CO 0.02 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1ugw n GLY 121 N 4.50 1.20 0.19 6.18 0.00 -1.26 -0.92 105.19 115.07 1ugw n GLY 121 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1ugw n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ugw h TYR 122 N 0.00 0.47 -4.37 1.61 0.99 -1.95 0.54 116.97 114.26 1ugw h TYR 122 Ca 0.00 -0.17 -0.35 0.00 2.00 0.00 0.00 58.73 60.21 1ugw h TYR 122 Cb 0.00 -0.09 -0.14 0.00 1.00 0.00 0.00 36.73 37.50 1ugw h TYR 122 CO 0.00 0.85 -0.58 -1.58 -0.00 0.00 0.00 178.16 176.85 1ugw s TRP 123 N -3.90 1.45 -0.35 4.88 0.51 -1.26 -4.46 118.94 115.80 1ugw s TRP 123 Ca -0.05 -1.41 -0.28 0.00 -2.12 0.00 0.00 56.10 52.23 1ugw s TRP 123 Cb 0.12 -0.72 -0.01 0.00 -0.81 0.00 0.00 33.47 32.05 1ugw s TRP 123 CO 0.81 -0.62 1.74 -1.17 -0.51 0.00 0.00 176.95 177.21 1ugw s LEU 124 N -3.28 3.51 0.03 2.99 2.96 -0.43 -4.35 118.68 120.11 1ugw s LEU 124 Ca 0.38 1.20 -0.20 0.00 -0.22 0.00 0.00 54.13 55.29 1ugw s LEU 124 Cb 0.06 -3.48 -0.17 0.00 0.50 0.00 0.00 46.19 43.10 1ugw s LEU 124 CO 0.17 -1.68 1.26 0.44 -1.32 0.00 0.00 176.35 175.21 1ugw h ASP 125 N 12.58 0.43 -5.06 3.68 3.32 -1.03 0.08 116.42 130.42 1ugw h ASP 125 Ca -0.32 -0.57 0.17 0.00 0.02 0.00 0.00 57.03 56.32 1ugw h ASP 125 Cb 1.16 -0.12 -0.11 0.00 0.22 0.00 0.00 39.33 40.47 1ugw h ASP 125 CO 1.05 0.93 0.53 -0.72 -1.72 0.00 0.00 179.24 179.30 1ugw s TYR 126 N -3.93 -0.21 0.10 4.55 -0.85 -1.23 -4.19 117.35 111.59 1ugw s TYR 126 Ca -0.14 -0.01 -0.22 0.00 -0.52 0.00 0.00 57.07 56.18 1ugw s TYR 126 Cb 0.05 0.59 0.06 0.00 0.38 0.00 0.00 41.96 43.03 1ugw s TYR 126 CO 0.77 -0.65 0.53 -0.59 -1.52 0.00 0.00 175.55 174.09 1ugw s PHE 127 N -3.12 -0.43 0.17 -3.49 -0.71 -1.26 -2.02 117.98 107.11 1ugw s PHE 127 Ca 0.10 0.32 0.02 0.00 -1.04 0.00 0.00 56.93 56.32 1ugw s PHE 127 Cb -0.01 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.17 1ugw s PHE 127 CO -0.03 -0.74 -0.02 -1.12 -1.34 0.00 0.00 175.22 171.97 1ugw s SER 128 N -2.43 1.34 0.00 1.98 0.01 0.22 -4.97 113.70 109.86 1ugw s SER 128 Ca -0.01 -1.14 0.04 0.00 1.31 0.00 0.00 55.95 56.15 1ugw s SER 128 Cb -0.00 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.30 1ugw s SER 128 CO -0.08 -0.52 -0.13 -0.04 0.41 0.00 0.00 173.24 172.89 1ugw s MET 129 N -3.88 0.97 -0.03 12.44 -1.94 -1.26 -2.27 119.30 123.33 1ugw s MET 129 Ca 0.22 -0.51 -0.21 0.00 -1.71 0.00 0.00 55.69 53.47 1ugw s MET 129 Cb 0.05 -0.94 -0.05 0.00 2.01 0.00 0.00 34.83 35.91 1ugw s MET 129 CO 0.03 0.25 0.62 0.71 -0.01 0.00 0.00 175.02 176.62 1ugw s TYR 130 N -0.43 3.64 0.03 -0.03 1.51 -0.21 -4.98 117.35 116.88 1ugw s TYR 130 Ca 0.04 1.19 0.09 0.00 -1.01 0.00 0.00 57.07 57.38 1ugw s TYR 130 Cb -0.05 -2.67 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 1ugw s TYR 130 CO -0.00 0.25 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.93 1ugw s LEU 131 N 0.19 2.14 0.20 -1.29 1.43 -1.26 -0.68 118.68 119.41 1ugw s LEU 131 Ca 0.33 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 1ugw s LEU 131 Cb -0.18 -1.23 0.04 0.00 0.03 0.00 0.00 46.19 44.85 1ugw s LEU 131 CO 0.17 0.25 0.59 -0.55 0.23 0.00 0.00 176.35 177.05 1ugw s SER 132 N -1.09 -0.36 0.00 2.29 0.15 -0.26 -4.93 113.70 109.50 1ugw s SER 132 Ca 0.11 -0.35 0.29 0.00 0.70 0.00 0.00 55.95 56.69 1ugw s SER 132 Cb -0.10 0.62 1.22 0.00 -1.71 0.00 0.00 66.02 66.06 1ugw s SER 132 CO 0.01 -1.09 1.84 0.18 1.20 0.00 0.00 173.24 175.38