#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 3.99 0.50 1.61 2.20 0.50 -4.72 119.74 123.82 1ugw s LYS 2 Ca 0.00 0.41 -0.20 0.00 -0.36 0.00 0.00 55.97 55.82 1ugw s LYS 2 Cb 0.00 -3.69 -0.08 0.00 -1.51 0.00 0.00 37.83 32.55 1ugw s LYS 2 CO 0.00 -0.51 1.07 0.00 -0.36 0.00 0.00 175.35 175.55 1ugw s ALA 3 N 2.57 2.82 0.05 3.13 0.00 -1.26 -1.63 121.76 127.43 1ugw s ALA 3 Ca 0.26 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 1ugw s ALA 3 Cb -0.15 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1ugw s ALA 3 CO 0.10 -0.45 0.07 -0.59 0.00 0.00 0.00 175.76 174.89 1ugw s PHE 4 N -1.93 0.28 -0.29 0.00 -0.71 0.44 -4.94 117.98 110.84 1ugw s PHE 4 Ca 0.69 -0.67 0.02 0.00 -1.04 0.00 0.00 56.93 55.93 1ugw s PHE 4 Cb -0.19 -0.20 0.16 0.00 -1.21 0.00 0.00 43.02 41.59 1ugw s PHE 4 CO 0.22 -0.39 0.42 0.34 -1.34 0.00 0.00 175.22 174.47 1ugw s ASP 5 N -2.42 0.28 0.31 1.98 -1.08 -1.26 -1.14 116.67 113.34 1ugw s ASP 5 Ca -0.01 -0.34 0.06 0.00 -0.52 0.00 0.00 52.55 51.74 1ugw s ASP 5 Cb 0.02 1.15 0.51 0.00 -1.46 0.00 0.00 42.92 43.14 1ugw s ASP 5 CO -0.07 -0.35 1.74 0.44 0.52 0.00 0.00 175.17 177.45 1ugw h ASP 6 N 8.15 0.28 -3.43 -0.34 3.32 -1.72 -3.49 116.42 119.19 1ugw h ASP 6 Ca -0.08 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1ugw h ASP 6 Cb 1.12 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1ugw h ASP 6 CO 0.26 0.61 0.00 0.61 -1.72 0.00 0.00 179.24 178.99 1ugw n GLY 7 N -0.34 -1.79 3.72 2.75 0.00 -1.25 -4.96 105.19 103.32 1ugw n GLY 7 Ca -0.01 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.76 3.39 0.00 4.61 0.00 -1.26 -3.87 121.76 122.87 1ugw s ALA 8 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1ugw s ALA 8 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.59 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 1.94 0.00 0.85 0.00 3.01 0.51 -5.00 117.46 118.77 1ugw n PHE 9 Ca -0.18 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.37 1ugw n PHE 9 Cb 0.54 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.98 1ugw n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1ugw n THR 10 N 0.00 0.00 -0.43 4.37 -2.24 -0.69 -4.84 114.28 110.44 1ugw n THR 10 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1ugw n THR 10 Cb 0.00 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1ugw n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugw n GLY 11 N 1.30 -1.76 3.12 3.38 0.00 -1.18 -4.93 105.19 105.12 1ugw n GLY 11 Ca 0.07 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.13 1.62 -0.20 -0.61 1.01 -1.26 -1.23 121.20 118.40 1ugw s ILE 12 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1ugw s ILE 12 Cb 0.00 -1.43 -0.14 0.00 0.01 0.00 0.00 42.46 40.90 1ugw s ILE 12 CO 0.00 0.46 -0.16 0.54 0.00 0.00 0.00 174.94 175.79 1ugw n ARG 13 N 3.77 0.58 -3.68 2.79 1.74 -0.31 -4.80 116.66 116.75 1ugw n ARG 13 Ca -0.21 0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 56.84 1ugw n ARG 13 Cb 0.52 -1.40 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.40 0.71 -0.11 5.56 2.12 -0.80 -1.49 118.70 122.29 1ugw s GLU 14 Ca -0.25 0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.55 1ugw s GLU 14 Cb 0.07 0.34 0.01 0.00 0.26 0.00 0.00 34.13 34.80 1ugw s GLU 14 CO 0.48 -0.14 -0.18 0.42 -0.54 0.00 0.00 175.26 175.29 1ugw s ILE 15 N -0.34 1.72 -0.23 -3.70 1.01 -0.40 -0.14 121.20 119.13 1ugw s ILE 15 Ca -0.05 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1ugw s ILE 15 Cb -0.03 -1.54 0.04 0.00 0.01 0.00 0.00 42.46 40.94 1ugw s ILE 15 CO 0.03 0.48 -0.12 0.20 0.00 0.00 0.00 174.94 175.54 1ugw s ASN 16 N 0.79 4.01 0.18 3.58 0.01 0.92 -0.67 114.94 123.75 1ugw s ASN 16 Ca -0.10 -1.01 0.01 0.00 -0.71 0.00 0.00 52.86 51.06 1ugw s ASN 16 Cb -0.16 -1.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.89 1ugw s ASN 16 CO 0.01 -0.11 0.03 -1.48 -1.51 0.00 0.00 177.10 174.04 1ugw s LEU 17 N 1.23 1.94 0.05 0.60 0.05 -0.84 -0.02 118.68 121.69 1ugw s LEU 17 Ca -0.02 -1.22 0.03 0.00 0.05 0.00 0.00 54.13 52.97 1ugw s LEU 17 Cb -0.17 0.04 -0.03 0.00 -2.05 0.00 0.00 46.19 43.99 1ugw s LEU 17 CO -0.07 -0.63 -0.10 -0.94 -0.55 0.00 0.00 176.35 174.05 1ugw s SER 18 N -3.17 1.15 0.28 1.48 1.04 -0.88 -0.18 113.70 113.42 1ugw s SER 18 Ca 0.27 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 1ugw s SER 18 Cb 0.07 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 1ugw s SER 18 CO 0.05 -0.17 0.33 -0.72 0.98 0.00 0.00 173.24 173.72 1ugw s TYR 19 N -1.44 1.09 -0.04 5.02 1.13 -0.74 0.16 117.35 122.53 1ugw s TYR 19 Ca -0.06 -1.28 -0.02 0.00 -1.41 0.00 0.00 57.07 54.30 1ugw s TYR 19 Cb -0.09 -0.29 0.03 0.00 -1.10 0.00 0.00 41.96 40.50 1ugw s TYR 19 CO 0.01 -0.91 0.05 1.21 -2.51 0.00 0.00 175.55 173.40 1ugw s ASN 20 N -3.20 0.97 0.00 -0.18 3.84 -1.02 0.23 114.94 115.58 1ugw s ASN 20 Ca 0.33 0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.46 1ugw s ASN 20 Cb 0.02 -0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.57 1ugw s ASN 20 CO 0.17 -0.22 0.83 0.29 -2.79 0.00 0.00 177.10 175.38 1ugw n LYS 21 N 5.06 0.00 -0.00 0.43 5.02 -1.26 -1.70 118.16 125.71 1ugw n LYS 21 Ca -0.08 0.34 0.04 0.00 -2.02 0.00 0.00 58.31 56.59 1ugw n LYS 21 Cb 0.50 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 1ugw n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ugw n GLU 22 N -1.33 2.11 0.00 1.97 1.02 -1.26 -4.65 120.64 118.50 1ugw n GLU 22 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1ugw n GLU 22 Cb 0.04 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.56 2.62 -2.24 -0.69 -5.05 114.28 104.84 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 0.18 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.22 -4.61 120.51 116.90 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 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.94 3.39 0.00 0.00 -1.09 -1.01 -2.44 121.20 117.11 1ugw s ILE 25 Ca 0.00 1.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1ugw s ILE 25 Cb 0.00 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1ugw s ILE 25 CO 0.00 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1ugw n GLY 26 N 1.15 0.31 3.81 6.18 0.00 0.12 -1.33 105.19 115.42 1ugw n GLY 26 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.08 6.10 -0.15 1.61 1.01 -1.24 -4.26 116.67 119.65 1ugw s ASP 27 Ca 0.00 1.83 -0.06 0.00 0.71 0.00 0.00 52.55 55.02 1ugw s ASP 27 Cb 0.00 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.45 1ugw s ASP 27 CO 0.00 -0.95 0.32 0.12 0.21 0.00 0.00 175.17 174.87 1ugw s PHE 28 N -2.30 -0.52 -0.08 4.23 5.36 0.10 -2.06 117.98 122.70 1ugw s PHE 28 Ca 0.64 1.12 -0.08 0.00 -0.96 0.00 0.00 56.93 57.65 1ugw s PHE 28 Cb -0.15 0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.67 1ugw s PHE 28 CO 0.30 -0.35 0.22 -1.14 -1.46 0.00 0.00 175.22 172.79 1ugw s GLN 29 N 1.97 0.26 -0.02 10.12 -0.44 0.97 -1.60 119.66 130.92 1ugw s GLN 29 Ca -0.04 0.31 0.05 0.00 -2.50 0.00 0.00 55.36 53.17 1ugw s GLN 29 Cb -0.11 0.13 -0.01 0.00 -1.64 0.00 0.00 33.01 31.38 1ugw s GLN 29 CO -0.10 -0.03 -0.17 0.08 0.50 0.00 0.00 175.29 175.57 1ugw s VAL 30 N 0.11 1.32 -0.37 1.34 1.01 -1.26 -0.06 120.40 122.49 1ugw s VAL 30 Ca -0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1ugw s VAL 30 Cb -0.02 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1ugw s VAL 30 CO 0.00 0.38 0.22 -0.69 0.00 0.00 0.00 175.10 175.01 1ugw s VAL 31 N -0.28 4.74 0.51 2.92 1.01 0.80 -0.77 120.40 129.33 1ugw s VAL 31 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1ugw s VAL 31 Cb -0.08 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1ugw s VAL 31 CO -0.00 -0.21 0.73 -0.31 0.00 0.00 0.00 175.10 175.31 1ugw s TYR 32 N 1.59 3.00 -0.16 5.22 1.51 0.11 -1.17 117.35 127.47 1ugw s TYR 32 Ca 0.03 0.09 -0.08 0.00 -1.01 0.00 0.00 57.07 56.10 1ugw s TYR 32 Cb -0.19 -2.58 -0.04 0.00 -0.11 0.00 0.00 41.96 39.04 1ugw s TYR 32 CO 0.07 -0.67 0.11 0.34 -1.11 0.00 0.00 175.55 174.29 1ugw s ASP 33 N -4.34 6.05 -0.46 2.29 2.15 -0.37 0.47 116.67 122.46 1ugw s ASP 33 Ca 0.54 0.28 0.03 0.00 0.43 0.00 0.00 52.55 53.82 1ugw s ASP 33 Cb -0.10 -1.99 0.13 0.00 -0.30 0.00 0.00 42.92 40.66 1ugw s ASP 33 CO 0.38 0.28 0.24 -0.22 -0.17 0.00 0.00 175.17 175.68 1ugw s LEU 34 N -0.27 3.18 -1.28 -1.34 2.96 0.20 -1.70 118.68 120.43 1ugw s LEU 34 Ca 0.10 -2.72 -0.03 0.00 -0.22 0.00 0.00 54.13 51.26 1ugw s LEU 34 Cb -0.12 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.36 1ugw s LEU 34 CO 0.01 -0.26 0.95 0.59 -1.32 0.00 0.00 176.35 176.32 1ugw n ASN 35 N 3.45 -2.79 0.00 3.68 5.03 -1.26 -2.57 115.26 120.80 1ugw n ASN 35 Ca 0.07 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 54.85 1ugw n ASN 35 Cb 0.34 -4.72 0.00 0.00 -1.02 0.00 0.00 39.78 34.37 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 -1.45 2.07 3.50 7.41 0.00 -1.26 -5.05 105.19 110.42 1ugw n GLY 36 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.89 4.08 0.39 1.61 0.01 -1.06 -5.10 113.70 111.73 1ugw s SER 37 Ca 0.00 -0.33 -0.26 0.00 1.31 0.00 0.00 55.95 56.67 1ugw s SER 37 Cb 0.00 -0.77 -0.09 0.00 0.21 0.00 0.00 66.02 65.37 1ugw s SER 37 CO 0.00 0.26 1.28 -2.84 0.41 0.00 0.00 173.24 172.35 1ugw s PRO 38 N -1.43 4.06 -0.16 12.44 0.02 -1.26 0.62 135.00 149.28 1ugw s PRO 38 Ca 0.15 2.11 -0.02 0.00 0.02 0.00 0.00 61.00 63.26 1ugw s PRO 38 Cb -0.11 -2.80 0.05 0.00 0.02 0.00 0.00 34.50 31.66 1ugw s PRO 38 CO 0.06 -0.40 0.01 -0.47 -0.33 0.00 0.00 177.00 175.87 1ugw s TYR 39 N -1.26 1.06 -0.43 6.54 6.14 0.18 -4.78 117.35 124.80 1ugw s TYR 39 Ca 0.55 -0.75 -0.28 0.00 0.64 0.00 0.00 57.07 57.22 1ugw s TYR 39 Cb -0.37 -1.03 0.03 0.00 0.42 0.00 0.00 41.96 41.01 1ugw s TYR 39 CO 0.48 -0.55 1.09 0.08 0.64 0.00 0.00 175.55 177.29 1ugw s VAL 40 N 1.84 4.32 0.74 3.14 1.01 -1.26 0.07 120.40 130.27 1ugw s VAL 40 Ca 0.00 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 1ugw s VAL 40 Cb -0.16 -4.53 0.04 0.00 0.00 0.00 0.00 36.38 31.73 1ugw s VAL 40 CO -0.07 -0.84 1.08 -0.83 0.00 0.00 0.00 175.10 174.43 1ugw s GLY 41 N 2.22 1.66 0.54 4.51 0.00 0.05 -4.98 107.32 111.31 1ugw s GLY 41 Ca 0.46 0.06 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 1ugw s GLY 41 CO 0.27 0.41 1.33 1.20 0.00 0.00 0.00 173.10 176.31 1ugw s GLN 42 N -5.03 3.17 -0.26 2.90 -0.21 -1.26 -4.61 119.66 114.35 1ugw s GLN 42 Ca 0.59 2.17 -0.24 0.00 0.02 0.00 0.00 55.36 57.90 1ugw s GLN 42 Cb -0.15 -2.24 -0.00 0.00 1.00 0.00 0.00 33.01 31.61 1ugw s GLN 42 CO 0.55 -1.15 0.81 1.21 -2.12 0.00 0.00 175.29 174.60 1ugw s ASN 43 N -1.03 6.77 -0.45 5.90 2.47 -1.26 -4.56 114.94 122.78 1ugw s ASN 43 Ca 0.71 0.92 -0.17 0.00 0.42 0.00 0.00 52.86 54.74 1ugw s ASN 43 Cb -0.39 -2.43 0.04 0.00 -1.45 0.00 0.00 41.25 37.03 1ugw s ASN 43 CO 0.46 -0.55 0.48 -1.00 -3.72 0.00 0.00 177.10 172.77 1ugw s HIS 44 N 2.88 3.15 0.12 0.43 3.76 -0.63 -5.00 115.29 120.01 1ugw s HIS 44 Ca 0.34 -0.50 0.04 0.00 -0.15 0.00 0.00 55.06 54.79 1ugw s HIS 44 Cb -0.15 -3.10 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 1ugw s HIS 44 CO 0.09 -0.80 0.08 0.15 -0.85 0.00 0.00 174.74 173.41 1ugw s LYS 45 N 2.18 2.79 0.71 1.40 1.02 -1.26 -0.72 119.74 125.85 1ugw s LYS 45 Ca 0.12 -0.82 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 1ugw s LYS 45 Cb -0.19 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.51 1ugw s LYS 45 CO 0.12 0.52 1.10 0.45 -0.92 0.00 0.00 175.35 176.62 1ugw s SER 46 N -2.69 4.87 0.45 2.83 0.15 -1.26 -4.85 113.70 113.19 1ugw s SER 46 Ca 0.29 1.91 0.30 0.00 0.70 0.00 0.00 55.95 59.15 1ugw s SER 46 Cb -0.11 -2.54 1.10 0.00 -1.71 0.00 0.00 66.02 62.76 1ugw s SER 46 CO 0.22 -1.79 1.86 -0.26 1.20 0.00 0.00 173.24 174.46 1ugw h PHE 47 N -0.48 0.00 -0.55 3.44 0.04 -1.20 -3.45 116.94 114.75 1ugw h PHE 47 Ca -0.45 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 59.65 1ugw h PHE 47 Cb 1.24 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.26 1ugw h PHE 47 CO 0.56 0.00 -0.52 0.96 -0.60 0.00 0.00 178.31 178.71 1ugw s ILE 48 N -3.49 1.17 0.33 -0.55 -4.36 -1.26 -5.05 121.20 107.99 1ugw s ILE 48 Ca 0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1ugw s ILE 48 Cb 0.09 -2.21 -0.00 0.00 1.25 0.00 0.00 42.46 41.58 1ugw s ILE 48 CO 0.53 0.00 0.01 0.35 0.24 0.00 0.00 174.94 176.08 1ugw n THR 49 N -1.23 0.00 0.00 8.37 -2.24 -1.26 -4.90 114.28 113.02 1ugw n THR 49 Ca -0.18 -1.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 1ugw n THR 49 Cb 0.67 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 0.90 1.10 3.92 3.38 0.00 -1.26 -5.10 105.19 108.13 1ugw n GLY 50 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 3.48 -0.30 1.61 0.08 -1.26 -4.86 117.98 114.73 1ugw s PHE 51 Ca 0.00 0.41 -0.15 0.00 0.12 0.00 0.00 56.93 57.31 1ugw s PHE 51 Cb 0.00 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 1ugw s PHE 51 CO 0.00 0.33 0.39 0.99 -0.10 0.00 0.00 175.22 176.83 1ugw s THR 52 N -1.92 5.15 0.43 0.64 2.01 0.14 -4.82 115.64 117.27 1ugw s THR 52 Ca 0.40 0.36 -0.24 0.00 0.31 0.00 0.00 61.69 62.51 1ugw s THR 52 Cb -0.11 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 1ugw s THR 52 CO 0.29 0.02 1.20 -2.84 -0.69 0.00 0.00 174.62 172.61 1ugw s PRO 53 N 2.09 3.87 -0.02 4.92 0.02 -1.26 -1.79 135.00 142.83 1ugw s PRO 53 Ca 0.14 1.89 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 1ugw s PRO 53 Cb -0.16 -2.56 0.03 0.00 0.02 0.00 0.00 34.50 31.83 1ugw s PRO 53 CO 0.11 -0.49 0.04 0.08 -0.33 0.00 0.00 177.00 176.41 1ugw s VAL 54 N -1.43 -0.05 -0.17 3.83 1.01 0.74 -4.96 120.40 119.37 1ugw s VAL 54 Ca 0.60 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.76 1ugw s VAL 54 Cb -0.32 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1ugw s VAL 54 CO 0.39 0.07 -0.15 -0.75 0.00 0.00 0.00 175.10 174.66 1ugw s LYS 55 N 0.90 3.17 -0.43 2.72 2.20 -1.26 -1.99 119.74 125.04 1ugw s LYS 55 Ca -0.07 -0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 1ugw s LYS 55 Cb -0.10 -2.66 0.12 0.00 -1.51 0.00 0.00 37.83 33.67 1ugw s LYS 55 CO -0.03 -0.08 0.23 0.42 -0.36 0.00 0.00 175.35 175.53 1ugw s ILE 56 N 1.06 3.34 -0.36 5.43 1.01 0.15 -5.00 121.20 126.82 1ugw s ILE 56 Ca -0.01 -2.16 -0.16 0.00 0.00 0.00 0.00 60.65 58.32 1ugw s ILE 56 Cb -0.15 -3.28 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 1ugw s ILE 56 CO -0.04 -0.71 0.40 -0.44 0.00 0.00 0.00 174.94 174.14 1ugw s SER 57 N 1.71 6.20 0.21 3.58 0.01 -1.26 -1.27 113.70 122.87 1ugw s SER 57 Ca 0.09 -0.32 -0.13 0.00 1.31 0.00 0.00 55.95 56.90 1ugw s SER 57 Cb -0.23 -2.21 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 1ugw s SER 57 CO -0.04 -0.41 0.58 -0.76 0.41 0.00 0.00 173.24 173.02 1ugw s LEU 58 N 2.09 4.23 -1.37 2.44 1.43 -0.55 -4.98 118.68 121.96 1ugw s LEU 58 Ca 0.13 1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 1ugw s LEU 58 Cb -0.17 -3.56 0.10 0.00 0.03 0.00 0.00 46.19 42.59 1ugw s LEU 58 CO 0.12 -0.01 2.05 -0.67 0.23 0.00 0.00 176.35 178.07 1ugw n ASP 59 N 0.27 4.45 -4.77 2.29 2.03 -1.26 -4.86 116.55 114.69 1ugw n ASP 59 Ca -0.02 -2.96 -0.40 0.00 0.52 0.00 0.00 54.79 51.93 1ugw n ASP 59 Cb 0.52 -1.58 -0.02 0.00 -0.72 0.00 0.00 41.12 39.32 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 2.02 2.96 -2.49 -0.67 5.36 -1.26 -0.72 117.98 123.19 1ugw s PHE 60 Ca 0.44 1.40 0.23 0.00 -0.96 0.00 0.00 56.93 58.04 1ugw s PHE 60 Cb 0.11 -3.70 0.45 0.00 -0.34 0.00 0.00 43.02 39.55 1ugw s PHE 60 CO -0.04 -1.99 1.42 -0.35 -1.46 0.00 0.00 175.22 172.80 1ugw n PRO 61 N 0.62 2.42 0.20 10.12 -0.04 -1.26 -4.86 135.00 142.20 1ugw n PRO 61 Ca 0.01 -2.14 0.07 0.00 -0.04 0.00 0.00 63.50 61.40 1ugw n PRO 61 Cb 0.42 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.79 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 4.24 0.00 -3.31 3.54 4.64 -1.78 -3.42 113.55 117.46 1ugw h SER 62 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1ugw h SER 62 Cb 0.93 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.80 1ugw h SER 62 CO 0.00 0.31 -0.68 -0.70 -0.87 0.00 0.00 176.83 174.88 1ugw s GLU 63 N -3.73 3.60 0.03 4.77 2.12 0.11 -4.95 118.70 120.65 1ugw s GLU 63 Ca -0.00 -0.55 -0.10 0.00 0.36 0.00 0.00 54.97 54.68 1ugw s GLU 63 Cb 0.11 -2.85 0.01 0.00 0.26 0.00 0.00 34.13 31.65 1ugw s GLU 63 CO 0.67 0.25 0.20 1.52 -0.54 0.00 0.00 175.26 177.36 1ugw s TYR 64 N 0.32 0.03 0.11 5.30 -0.85 -1.26 -4.31 117.35 116.69 1ugw s TYR 64 Ca -0.05 -0.22 -0.31 0.00 -0.52 0.00 0.00 57.07 55.97 1ugw s TYR 64 Cb -0.14 -0.02 -0.08 0.00 0.38 0.00 0.00 41.96 42.10 1ugw s TYR 64 CO 0.03 -0.42 1.39 0.42 -1.52 0.00 0.00 175.55 175.46 1ugw s ILE 65 N -2.41 3.30 -0.09 -3.49 1.01 -1.26 -2.62 121.20 115.64 1ugw s ILE 65 Ca -0.06 0.93 0.11 0.00 0.00 0.00 0.00 60.65 61.63 1ugw s ILE 65 Cb -0.02 -3.60 -0.16 0.00 0.01 0.00 0.00 42.46 38.70 1ugw s ILE 65 CO -0.03 0.07 0.27 0.23 0.00 0.00 0.00 174.94 175.48 1ugw n MET 66 N 3.97 0.82 -3.64 2.79 2.81 0.84 -4.72 117.12 120.00 1ugw n MET 66 Ca 0.12 -0.08 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 1ugw n MET 66 Cb 0.42 -1.22 -0.07 0.00 -0.71 0.00 0.00 33.22 31.64 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 -2.64 0.78 -0.09 0.03 2.12 -0.79 -0.66 118.70 117.44 1ugw s GLU 67 Ca -0.03 1.02 0.04 0.00 0.36 0.00 0.00 54.97 56.36 1ugw s GLU 67 Cb 0.07 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.80 1ugw s GLU 67 CO 0.45 -0.11 -0.23 0.08 -0.54 0.00 0.00 175.26 174.92 1ugw s VAL 68 N 0.65 1.95 0.17 3.70 1.01 -0.86 -0.74 120.40 126.27 1ugw s VAL 68 Ca -0.02 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 1ugw s VAL 68 Cb -0.05 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1ugw s VAL 68 CO -0.04 0.54 0.07 -0.94 0.00 0.00 0.00 175.10 174.72 1ugw s SER 69 N 0.36 0.54 0.00 3.32 1.04 -0.56 0.30 113.70 118.70 1ugw s SER 69 Ca -0.18 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1ugw s SER 69 Cb -0.18 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1ugw s SER 69 CO 0.08 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1ugw n GLY 70 N -0.20 -0.85 2.93 7.32 0.00 -0.56 -0.43 105.19 113.39 1ugw n GLY 70 Ca -0.04 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 0.22 0.15 1.61 2.02 -0.97 -1.70 117.35 115.69 1ugw s TYR 71 Ca 0.00 -0.18 0.11 0.00 -0.37 0.00 0.00 57.07 56.63 1ugw s TYR 71 Cb 0.00 -0.15 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 1ugw s TYR 71 CO 0.00 -0.05 -0.24 0.95 -1.57 0.00 0.00 175.55 174.64 1ugw s THR 72 N -0.46 2.18 -0.07 -0.71 -4.23 -0.25 -0.69 115.64 111.41 1ugw s THR 72 Ca -0.04 -1.86 -0.31 0.00 -1.18 0.00 0.00 61.69 58.31 1ugw s THR 72 Cb -0.03 -1.98 0.12 0.00 1.34 0.00 0.00 72.50 71.94 1ugw s THR 72 CO -0.00 -0.05 1.37 -0.83 -0.54 0.00 0.00 174.62 174.56 1ugw s GLY 73 N -2.34 -0.30 0.02 3.99 0.00 -0.37 -0.48 107.32 107.83 1ugw s GLY 73 Ca 0.16 0.41 -0.27 0.00 0.00 0.00 0.00 44.72 45.03 1ugw s GLY 73 CO 0.07 4.13 0.83 -1.31 0.00 0.00 0.00 173.10 176.83 1ugw s ASN 74 N -3.57 7.24 -0.05 1.64 -0.87 -1.26 -1.19 114.94 116.89 1ugw s ASN 74 Ca 0.25 1.49 -0.02 0.00 -1.57 0.00 0.00 52.86 53.02 1ugw s ASN 74 Cb 0.03 -2.50 0.03 0.00 -0.02 0.00 0.00 41.25 38.79 1ugw s ASN 74 CO -0.04 -0.10 0.04 -0.69 -2.57 0.00 0.00 177.10 173.75 1ugw s VAL 75 N 0.41 0.00 -1.38 1.60 1.01 0.09 -4.83 120.40 117.30 1ugw s VAL 75 Ca 0.43 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 1ugw s VAL 75 Cb -0.20 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1ugw s VAL 75 CO 0.24 0.19 0.21 -0.24 0.00 0.00 0.00 175.10 175.50 1ugw n SER 76 N 5.17 -4.82 0.00 3.32 2.88 -1.26 -1.50 113.62 117.42 1ugw n SER 76 Ca -0.06 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1ugw n SER 76 Cb 0.50 -4.00 0.00 0.00 -0.75 0.00 0.00 64.21 59.96 1ugw n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugw n GLY 77 N -1.07 0.74 3.45 0.46 0.00 -1.26 -5.05 105.19 102.46 1ugw n GLY 77 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.66 2.40 -0.19 1.61 2.02 -0.56 -5.10 117.35 114.87 1ugw s TYR 78 Ca 0.00 -0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.22 1ugw s TYR 78 Cb 0.00 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 1ugw s TYR 78 CO 0.00 0.44 0.37 0.08 -1.57 0.00 0.00 175.55 174.87 1ugw s VAL 79 N -1.43 5.23 0.24 0.71 1.01 -1.26 -0.73 120.40 124.16 1ugw s VAL 79 Ca 0.19 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.82 1ugw s VAL 79 Cb -0.09 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1ugw s VAL 79 CO 0.10 0.28 0.23 0.68 0.00 0.00 0.00 175.10 176.39 1ugw s VAL 80 N 1.12 0.00 -0.42 2.92 -7.23 -0.33 -4.78 120.40 111.68 1ugw s VAL 80 Ca 0.18 -1.88 -0.23 0.00 -1.81 0.00 0.00 61.98 58.24 1ugw s VAL 80 Cb -0.14 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.35 1ugw s VAL 80 CO 0.07 0.00 0.77 -0.69 -0.31 0.00 0.00 175.10 174.94 1ugw s VAL 81 N -3.93 4.70 -0.13 1.32 1.01 0.20 -1.24 120.40 122.33 1ugw s VAL 81 Ca 0.36 0.56 0.17 0.00 0.00 0.00 0.00 61.98 63.07 1ugw s VAL 81 Cb 0.05 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1ugw s VAL 81 CO 0.15 -0.60 0.92 0.03 0.00 0.00 0.00 175.10 175.60 1ugw h ARG 82 N 8.80 0.00 -3.11 2.72 3.08 -1.19 -2.67 114.38 122.01 1ugw h ARG 82 Ca -0.25 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 1ugw h ARG 82 Cb 1.09 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.96 1ugw h ARG 82 CO 0.93 0.31 -0.21 0.45 -1.07 0.00 0.00 179.97 180.38 1ugw s SER 83 N -5.86 -0.20 -0.01 7.04 0.15 -1.14 -1.56 113.70 112.11 1ugw s SER 83 Ca -0.02 -0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.57 1ugw s SER 83 Cb 0.09 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1ugw s SER 83 CO 0.80 -0.57 0.08 -0.76 1.20 0.00 0.00 173.24 173.99 1ugw s LEU 84 N -1.78 1.75 -0.02 3.45 1.43 -0.84 -2.30 118.68 120.37 1ugw s LEU 84 Ca -0.08 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1ugw s LEU 84 Cb -0.02 0.37 0.02 0.00 0.03 0.00 0.00 46.19 46.58 1ugw s LEU 84 CO -0.00 -0.18 -0.01 -0.89 0.23 0.00 0.00 176.35 175.49 1ugw s THR 85 N -0.66 0.22 -0.22 5.49 2.01 0.43 -1.12 115.64 121.79 1ugw s THR 85 Ca -0.07 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.92 1ugw s THR 85 Cb -0.05 -0.27 0.03 0.00 0.01 0.00 0.00 72.50 72.22 1ugw s THR 85 CO 0.00 0.12 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.57 1ugw s PHE 86 N 0.61 2.97 -0.23 4.92 0.08 0.14 -1.49 117.98 124.98 1ugw s PHE 86 Ca -0.06 -1.66 -0.06 0.00 0.12 0.00 0.00 56.93 55.27 1ugw s PHE 86 Cb -0.09 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1ugw s PHE 86 CO -0.01 -0.77 0.03 0.21 -0.10 0.00 0.00 175.22 174.58 1ugw s LYS 87 N 1.29 3.63 0.55 0.44 2.20 0.08 0.14 119.74 128.06 1ugw s LYS 87 Ca 0.01 -0.50 0.06 0.00 -0.36 0.00 0.00 55.97 55.18 1ugw s LYS 87 Cb -0.15 -3.20 0.06 0.00 -1.51 0.00 0.00 37.83 33.03 1ugw s LYS 87 CO -0.08 -0.10 0.53 0.25 -0.36 0.00 0.00 175.35 175.59 1ugw n THR 88 N 4.60 0.00 1.19 3.43 -2.24 0.51 -0.11 114.28 121.66 1ugw n THR 88 Ca -0.17 -2.05 0.11 0.00 -2.27 0.00 0.00 64.05 59.67 1ugw n THR 88 Cb 0.51 -0.20 0.60 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.00 0.00 0.00 3.42 6.94 -1.08 -3.67 115.26 118.88 1ugw n ASN 89 Ca 0.04 -0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 1ugw n ASN 89 Cb 0.60 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 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 -1.16 2.53 -3.82 -3.83 5.02 -1.26 -5.06 118.16 110.58 1ugw n LYS 90 Ca 0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 1ugw n LYS 90 Cb 0.13 -0.98 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 1ugw n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ugw s LYS 91 N -1.96 1.53 -0.17 1.97 2.20 -1.24 -5.15 119.74 116.91 1ugw s LYS 91 Ca 0.00 -0.98 -0.03 0.00 -0.36 0.00 0.00 55.97 54.61 1ugw s LYS 91 Cb 0.00 0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 36.84 1ugw s LYS 91 CO 0.00 -0.66 -0.06 0.99 -0.36 0.00 0.00 175.35 175.26 1ugw s THR 92 N -3.92 3.50 -0.29 3.43 2.01 -1.26 -0.36 115.64 118.76 1ugw s THR 92 Ca 0.12 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 61.59 1ugw s THR 92 Cb -0.02 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.96 1ugw s THR 92 CO 0.02 0.47 0.05 -0.31 -0.69 0.00 0.00 174.62 174.17 1ugw s TYR 93 N 0.78 3.14 0.00 4.92 1.51 0.12 -4.99 117.35 122.83 1ugw s TYR 93 Ca -0.02 -1.13 0.00 0.00 -1.01 0.00 0.00 57.07 54.91 1ugw s TYR 93 Cb -0.15 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1ugw s TYR 93 CO 0.02 -0.62 0.00 0.41 -1.11 0.00 0.00 175.55 174.25 1ugw n GLY 94 N 4.82 -0.15 3.77 0.71 0.00 -1.26 -0.68 105.19 112.39 1ugw n GLY 94 Ca -0.15 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.26 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 3.59 -0.20 1.61 0.04 -1.26 -4.98 135.00 133.79 1ugw s PRO 95 Ca 0.00 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 1ugw s PRO 95 Cb 0.00 -2.37 -0.00 0.00 0.04 0.00 0.00 34.50 32.17 1ugw s PRO 95 CO 0.00 -0.73 -0.09 0.71 0.04 0.00 0.00 177.00 176.93 1ugw s TYR 96 N -1.48 2.90 0.00 0.56 2.02 -0.27 -4.97 117.35 116.11 1ugw s TYR 96 Ca 0.66 -1.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 1ugw s TYR 96 Cb -0.32 -2.04 0.00 0.00 -0.40 0.00 0.00 41.96 39.21 1ugw s TYR 96 CO 0.38 -0.59 0.00 0.41 -1.57 0.00 0.00 175.55 174.18 1ugw n GLY 97 N 4.65 -0.66 3.58 0.71 0.00 -1.26 -2.00 105.19 110.22 1ugw n GLY 97 Ca -0.19 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.29 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 5.12 -1.40 1.61 1.01 -0.60 -4.86 120.40 121.28 1ugw s VAL 98 Ca 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.35 1ugw s VAL 98 Cb 0.00 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.64 1ugw s VAL 98 CO 0.00 0.00 2.40 0.35 0.00 0.00 0.00 175.10 177.86 1ugw n THR 99 N 5.23 4.66 -3.99 3.92 -2.24 -1.26 -3.80 114.28 116.80 1ugw n THR 99 Ca -0.07 -3.79 -0.12 0.00 -2.27 0.00 0.00 64.05 57.80 1ugw n THR 99 Cb 0.50 -2.32 -0.13 0.00 -2.10 0.00 0.00 70.33 66.28 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 1.18 0.31 0.00 3.42 0.15 -1.26 -5.09 113.70 112.41 1ugw s SER 100 Ca 0.54 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1ugw s SER 100 Cb 0.16 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1ugw s SER 100 CO -0.06 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1ugw n GLY 101 N 2.47 0.06 3.57 9.45 0.00 -1.26 -4.54 105.19 114.94 1ugw n GLY 101 Ca -0.17 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 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 5.08 0.66 2.61 2.01 0.37 -4.90 115.64 121.46 1ugw s THR 102 Ca 0.00 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 1ugw s THR 102 Cb 0.00 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 1ugw s THR 102 CO 0.00 0.30 1.05 -2.16 -0.69 0.00 0.00 174.62 173.11 1ugw s PRO 103 N 1.53 3.28 0.02 4.92 0.04 -1.26 -1.09 135.00 142.44 1ugw s PRO 103 Ca 0.07 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 61.73 1ugw s PRO 103 Cb -0.15 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1ugw s PRO 103 CO 0.08 -0.81 0.33 -0.59 0.04 0.00 0.00 177.00 176.05 1ugw s PHE 104 N -3.16 -0.18 -0.18 0.56 -0.12 -0.69 -4.91 117.98 109.31 1ugw s PHE 104 Ca 0.56 0.16 -0.21 0.00 -0.05 0.00 0.00 56.93 57.39 1ugw s PHE 104 Cb -0.12 0.12 0.06 0.00 -0.63 0.00 0.00 43.02 42.45 1ugw s PHE 104 CO 0.54 -0.47 0.58 0.54 -0.05 0.00 0.00 175.22 176.36 1ugw s ASN 105 N -1.75 -0.59 -0.39 1.98 6.03 -1.26 -1.50 114.94 117.46 1ugw s ASN 105 Ca -0.08 1.05 0.02 0.00 -1.03 0.00 0.00 52.86 52.81 1ugw s ASN 105 Cb -0.02 1.05 0.12 0.00 -3.03 0.00 0.00 41.25 39.37 1ugw s ASN 105 CO 0.00 -0.27 0.16 -0.22 -2.03 0.00 0.00 177.10 174.74 1ugw s LEU 106 N 0.01 3.23 0.19 3.54 2.96 0.15 -4.99 118.68 123.76 1ugw s LEU 106 Ca -0.02 -2.29 -0.23 0.00 -0.22 0.00 0.00 54.13 51.37 1ugw s LEU 106 Cb -0.04 -1.20 -0.08 0.00 0.50 0.00 0.00 46.19 45.38 1ugw s LEU 106 CO 0.02 -0.33 0.75 -2.84 -1.32 0.00 0.00 176.35 172.63 1ugw s PRO 107 N 0.76 4.41 -0.21 0.98 0.02 -1.26 -2.04 135.00 137.65 1ugw s PRO 107 Ca 0.14 1.01 0.01 0.00 0.02 0.00 0.00 61.00 62.18 1ugw s PRO 107 Cb -0.21 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.25 1ugw s PRO 107 CO -0.09 0.49 -0.15 0.42 -0.33 0.00 0.00 177.00 177.34 1ugw s ILE 108 N -1.32 2.29 -0.01 2.83 1.01 0.16 -4.98 121.20 121.18 1ugw s ILE 108 Ca 0.39 -1.10 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 1ugw s ILE 108 Cb -0.20 -2.09 -0.30 0.00 0.01 0.00 0.00 42.46 39.87 1ugw s ILE 108 CO 0.23 0.34 0.82 -0.08 0.00 0.00 0.00 174.94 176.25 1ugw h GLU 109 N 7.92 0.36 -2.82 2.79 4.81 -1.97 -3.46 114.58 122.21 1ugw h GLU 109 Ca -0.37 -0.61 -0.17 0.00 -0.13 0.00 0.00 59.36 58.07 1ugw h GLU 109 Cb 1.11 0.23 -0.30 0.00 0.63 0.00 0.00 28.75 30.42 1ugw h GLU 109 CO 0.58 1.26 -0.45 1.21 -0.73 0.00 0.00 179.01 180.88 1ugw s ASN 110 N -7.22 -0.08 0.00 1.04 2.47 -1.26 -5.13 114.94 104.76 1ugw s ASN 110 Ca -0.12 0.69 0.00 0.00 0.42 0.00 0.00 52.86 53.85 1ugw s ASN 110 Cb 0.06 0.73 0.00 0.00 -1.45 0.00 0.00 41.25 40.58 1ugw s ASN 110 CO 0.87 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.65 1ugw n GLY 111 N 4.83 1.40 3.00 1.21 0.00 -1.26 -4.99 105.19 109.38 1ugw n GLY 111 Ca -0.15 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 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 2.26 -0.08 0.99 1.43 0.88 -4.97 118.68 119.19 1ugw s LEU 112 Ca 0.00 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 52.31 1ugw s LEU 112 Cb 0.00 0.08 -0.03 0.00 0.03 0.00 0.00 46.19 46.27 1ugw s LEU 112 CO 0.00 -0.31 0.76 -0.63 0.23 0.00 0.00 176.35 176.40 1ugw s ILE 113 N -1.63 4.99 -0.00 -0.59 1.01 -1.26 -1.29 121.20 122.43 1ugw s ILE 113 Ca -0.14 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1ugw s ILE 113 Cb -0.09 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1ugw s ILE 113 CO -0.01 0.19 0.82 1.33 0.00 0.00 0.00 174.94 177.27 1ugw n VAL 114 N 4.00 0.64 -3.62 2.92 0.24 -0.16 -4.52 118.33 117.83 1ugw n VAL 114 Ca 0.01 -0.64 -0.01 0.00 -2.04 0.00 0.00 64.34 61.66 1ugw n VAL 114 Cb 0.51 0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 33.54 1ugw n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ugw s GLY 115 N -0.65 -0.28 0.06 7.63 0.00 -1.24 -0.36 107.32 112.49 1ugw s GLY 115 Ca 0.00 1.65 0.02 0.00 0.00 0.00 0.00 44.72 46.39 1ugw s GLY 115 CO 0.00 0.52 -0.07 -1.36 0.00 0.00 0.00 173.10 172.18 1ugw s PHE 116 N -2.09 0.75 0.10 1.90 0.08 -1.25 -1.27 117.98 116.20 1ugw s PHE 116 Ca 0.12 -0.64 -0.14 0.00 0.12 0.00 0.00 56.93 56.39 1ugw s PHE 116 Cb 0.01 -0.44 0.02 0.00 -0.57 0.00 0.00 43.02 42.04 1ugw s PHE 116 CO -0.03 -0.11 0.34 -1.59 -0.10 0.00 0.00 175.22 173.73 1ugw s LYS 117 N -2.36 0.97 0.00 0.44 -2.85 -0.96 -1.67 119.74 113.32 1ugw s LYS 117 Ca -0.02 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 1ugw s LYS 117 Cb -0.05 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1ugw s LYS 117 CO -0.01 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.49 1ugw n GLY 118 N -0.04 -0.66 3.38 0.59 0.00 -0.29 -0.74 105.19 107.44 1ugw n GLY 118 Ca -0.16 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.46 -0.03 1.61 0.15 -0.88 -0.42 113.70 109.67 1ugw s SER 119 Ca 0.00 0.74 -0.00 0.00 0.70 0.00 0.00 55.95 57.38 1ugw s SER 119 Cb 0.00 0.77 0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1ugw s SER 119 CO 0.00 -0.31 0.03 -0.63 1.20 0.00 0.00 173.24 173.53 1ugw s ILE 120 N -0.36 -0.02 0.00 6.45 1.01 -0.65 -0.53 121.20 127.11 1ugw s ILE 120 Ca -0.05 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1ugw s ILE 120 Cb -0.03 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.29 1ugw s ILE 120 CO 0.03 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1ugw n GLY 121 N 4.46 1.17 0.24 6.18 0.00 -1.26 -0.37 105.19 115.61 1ugw n GLY 121 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 1.00 -3.94 1.61 0.99 -1.95 0.01 116.97 114.69 1ugw h TYR 122 Ca 0.00 -0.36 -0.45 0.00 2.00 0.00 0.00 58.73 59.92 1ugw h TYR 122 Cb 0.00 -0.19 -0.14 0.00 1.00 0.00 0.00 36.73 37.41 1ugw h TYR 122 CO 0.00 1.16 -0.54 -1.58 -0.00 0.00 0.00 178.16 177.21 1ugw s TRP 123 N -4.10 1.66 -0.36 4.88 0.51 -1.26 -4.42 118.94 115.85 1ugw s TRP 123 Ca -0.10 -1.42 -0.28 0.00 -2.12 0.00 0.00 56.10 52.18 1ugw s TRP 123 Cb 0.10 -0.87 -0.01 0.00 -0.81 0.00 0.00 33.47 31.88 1ugw s TRP 123 CO 0.88 -0.56 1.74 -1.17 -0.51 0.00 0.00 176.95 177.33 1ugw s LEU 124 N -3.41 3.51 0.06 2.99 2.96 -0.44 -4.36 118.68 119.98 1ugw s LEU 124 Ca 0.35 1.18 -0.18 0.00 -0.22 0.00 0.00 54.13 55.25 1ugw s LEU 124 Cb 0.04 -3.46 -0.13 0.00 0.50 0.00 0.00 46.19 43.14 1ugw s LEU 124 CO 0.19 -1.70 1.35 0.44 -1.32 0.00 0.00 176.35 175.31 1ugw h ASP 125 N 12.63 0.56 -5.06 3.68 3.32 -1.11 0.60 116.42 131.04 1ugw h ASP 125 Ca -0.32 -0.51 0.16 0.00 0.02 0.00 0.00 57.03 56.39 1ugw h ASP 125 Cb 1.16 -0.16 -0.11 0.00 0.22 0.00 0.00 39.33 40.44 1ugw h ASP 125 CO 1.05 0.95 0.52 -0.72 -1.72 0.00 0.00 179.24 179.32 1ugw s TYR 126 N -4.22 -0.21 0.03 4.55 -0.85 -1.23 -4.15 117.35 111.28 1ugw s TYR 126 Ca -0.13 -0.01 -0.24 0.00 -0.52 0.00 0.00 57.07 56.17 1ugw s TYR 126 Cb 0.07 0.59 0.06 0.00 0.38 0.00 0.00 41.96 43.05 1ugw s TYR 126 CO 0.79 -0.66 0.55 -0.59 -1.52 0.00 0.00 175.55 174.12 1ugw s PHE 127 N -3.14 -0.47 0.19 -3.49 -0.71 -1.26 -2.06 117.98 107.04 1ugw s PHE 127 Ca 0.09 0.59 0.04 0.00 -1.04 0.00 0.00 56.93 56.61 1ugw s PHE 127 Cb -0.01 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.12 1ugw s PHE 127 CO -0.03 -0.64 -0.05 -1.12 -1.34 0.00 0.00 175.22 172.04 1ugw s SER 128 N -1.84 1.81 -0.02 1.98 0.01 0.08 -4.97 113.70 110.75 1ugw s SER 128 Ca -0.06 -1.12 0.04 0.00 1.31 0.00 0.00 55.95 56.11 1ugw s SER 128 Cb -0.01 0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.22 1ugw s SER 128 CO 0.00 -0.43 -0.12 -0.04 0.41 0.00 0.00 173.24 173.06 1ugw s MET 129 N -3.81 1.12 0.03 12.44 -1.94 -1.26 -2.26 119.30 123.62 1ugw s MET 129 Ca 0.23 -0.43 -0.25 0.00 -1.71 0.00 0.00 55.69 53.53 1ugw s MET 129 Cb 0.04 -1.05 -0.05 0.00 2.01 0.00 0.00 34.83 35.78 1ugw s MET 129 CO 0.05 0.22 0.76 0.71 -0.01 0.00 0.00 175.02 176.75 1ugw s TYR 130 N -0.10 3.72 0.07 -0.03 1.51 -0.40 -4.98 117.35 117.15 1ugw s TYR 130 Ca 0.01 1.45 0.10 0.00 -1.01 0.00 0.00 57.07 57.61 1ugw s TYR 130 Cb -0.07 -2.81 -0.03 0.00 -0.11 0.00 0.00 41.96 38.93 1ugw s TYR 130 CO 0.00 0.25 -0.26 -0.51 -1.11 0.00 0.00 175.55 173.93 1ugw s LEU 131 N 0.03 2.22 0.23 -1.29 1.43 -1.26 -0.99 118.68 119.05 1ugw s LEU 131 Ca 0.38 -0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 1ugw s LEU 131 Cb -0.20 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.81 1ugw s LEU 131 CO 0.22 0.22 0.57 -0.55 0.23 0.00 0.00 176.35 177.05 1ugw s SER 132 N -1.51 -0.24 0.00 2.29 0.15 -0.41 -4.92 113.70 109.06 1ugw s SER 132 Ca 0.12 -0.60 0.28 0.00 0.70 0.00 0.00 55.95 56.45 1ugw s SER 132 Cb -0.10 0.63 1.09 0.00 -1.71 0.00 0.00 66.02 65.93 1ugw s SER 132 CO 0.03 -1.16 1.77 0.18 1.20 0.00 0.00 173.24 175.26