#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw s SER 2 N 0.00 1.80 0.00 8.00 0.01 -1.26 -1.25 113.70 121.00 3gpw s SER 2 Ca 0.00 -0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.03 3gpw s SER 2 Cb 0.00 -0.47 -0.01 0.00 0.21 0.00 0.00 66.02 65.75 3gpw s SER 2 CO 0.00 -0.21 0.06 0.27 0.41 0.00 0.00 173.24 173.77 3gpw s ILE 3 N 1.95 0.07 0.10 1.44 -4.36 -0.65 -1.66 121.20 118.09 3gpw s ILE 3 Ca 0.04 -0.61 -0.20 0.00 -0.26 0.00 0.00 60.65 59.62 3gpw s ILE 3 Cb -0.13 -0.29 0.05 0.00 1.25 0.00 0.00 42.46 43.34 3gpw s ILE 3 CO -0.06 -0.33 0.49 0.00 0.24 0.00 0.00 174.94 175.28 3gpw s MET 4 N -1.06 1.10 -0.03 0.37 0.23 -0.64 -0.58 119.30 118.69 3gpw s MET 4 Ca -0.12 -0.46 0.01 0.00 -1.03 0.00 0.00 55.69 54.10 3gpw s MET 4 Cb -0.07 0.50 0.01 0.00 -1.53 0.00 0.00 34.83 33.74 3gpw s MET 4 CO 0.00 -0.43 -0.04 0.00 -2.03 0.00 0.00 175.02 172.52 3gpw s ALA 5 N -3.22 0.52 -0.09 3.16 0.00 -0.43 -0.70 121.76 121.02 3gpw s ALA 5 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 3gpw s ALA 5 Cb 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3gpw s ALA 5 CO -0.08 0.03 -0.04 0.08 0.00 0.00 0.00 175.76 175.75 3gpw s VAL 6 N 0.54 0.71 0.38 0.00 1.01 -0.03 -0.82 120.40 122.19 3gpw s VAL 6 Ca -0.06 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 3gpw s VAL 6 Cb -0.10 -0.78 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 3gpw s VAL 6 CO -0.00 0.31 0.90 0.42 0.00 0.00 0.00 175.10 176.73 3gpw s THR 7 N 1.67 4.41 0.19 3.92 -4.23 -0.47 -0.93 115.64 120.21 3gpw s THR 7 Ca 0.02 1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 61.98 3gpw s THR 7 Cb -0.13 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.02 3gpw s THR 7 CO -0.05 -0.18 0.27 2.22 -0.54 0.00 0.00 174.62 176.33 3gpw n PHE 8 N -0.29 -1.00 -0.26 3.99 1.16 0.51 -4.62 117.46 116.95 3gpw n PHE 8 Ca 0.05 -1.25 -0.05 0.00 -1.87 0.00 0.00 57.45 54.33 3gpw n PHE 8 Cb 0.53 0.30 0.01 0.00 -1.61 0.00 0.00 39.48 38.71 3gpw n PHE 8 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 3gpw h LYS 9 N 0.00 -0.12 -0.34 3.97 3.64 -1.50 -2.42 116.57 119.79 3gpw h LYS 9 Ca -0.15 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3gpw h LYS 9 Cb 0.64 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3gpw h LYS 9 CO 0.20 -0.08 0.00 -0.25 -2.27 0.00 0.00 179.45 177.05 3gpw n ASP 10 N -5.44 2.38 0.00 4.20 10.43 -1.26 -4.93 116.55 121.93 3gpw n ASP 10 Ca 0.05 -1.89 0.00 0.00 2.57 0.00 0.00 54.79 55.52 3gpw n ASP 10 Cb 0.36 -0.22 0.00 0.00 1.84 0.00 0.00 41.12 43.10 3gpw n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gpw n GLY 11 N 1.25 0.13 3.40 0.44 0.00 -0.91 -4.15 105.19 105.36 3gpw n GLY 11 Ca 0.17 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 3gpw n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpw s VAL 12 N 0.00 0.03 0.00 1.61 0.11 -0.76 -0.36 120.40 121.02 3gpw s VAL 12 Ca 0.00 -0.21 0.06 0.00 -2.93 0.00 0.00 61.98 58.90 3gpw s VAL 12 Cb 0.00 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 3gpw s VAL 12 CO 0.00 -0.12 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.84 3gpw s ILE 13 N -1.55 1.45 0.03 7.04 1.01 -0.10 -1.10 121.20 127.98 3gpw s ILE 13 Ca -0.10 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.70 3gpw s ILE 13 Cb -0.02 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3gpw s ILE 13 CO 0.05 0.33 -0.03 -0.76 0.00 0.00 0.00 174.94 174.54 3gpw s LEU 14 N -0.63 3.37 0.03 2.97 1.02 0.08 -0.85 118.68 124.68 3gpw s LEU 14 Ca 0.07 -0.11 -0.09 0.00 0.02 0.00 0.00 54.13 54.01 3gpw s LEU 14 Cb -0.07 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.15 3gpw s LEU 14 CO -0.00 0.25 0.19 -0.83 0.02 0.00 0.00 176.35 175.98 3gpw s GLY 15 N -1.74 0.02 -0.00 -3.19 0.00 0.12 -0.66 107.32 101.87 3gpw s GLY 15 Ca 0.20 -0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.42 3gpw s GLY 15 CO 0.12 -0.39 0.87 0.00 0.00 0.00 0.00 173.10 173.70 3gpw s ALA 16 N -2.32 -1.81 0.84 3.20 0.00 -0.48 -1.62 121.76 119.57 3gpw s ALA 16 Ca -0.07 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.79 3gpw s ALA 16 Cb -0.02 0.41 0.15 0.00 0.00 0.00 0.00 23.12 23.66 3gpw s ALA 16 CO -0.03 -0.68 1.17 0.16 0.00 0.00 0.00 175.76 176.38 3gpw s ASP 17 N -2.46 3.83 -0.29 0.00 -4.77 -0.67 -1.03 116.67 111.28 3gpw s ASP 17 Ca 0.05 0.15 0.09 0.00 -3.30 0.00 0.00 52.55 49.54 3gpw s ASP 17 Cb -0.01 -0.42 0.46 0.00 -1.09 0.00 0.00 42.92 41.86 3gpw s ASP 17 CO -0.09 -2.25 1.17 -1.54 0.70 0.00 0.00 175.17 173.17 3gpw n SER 18 N -3.34 4.49 -4.36 2.11 3.41 -0.55 -4.56 113.62 110.82 3gpw n SER 18 Ca 0.13 -3.53 -0.33 0.00 -0.26 0.00 0.00 58.87 54.89 3gpw n SER 18 Cb 0.60 -0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 64.04 3gpw n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3gpw s ARG 19 N -3.62 3.11 -0.08 4.33 3.52 -1.23 -1.52 118.95 123.45 3gpw s ARG 19 Ca 0.48 -0.73 0.02 0.00 -0.13 0.00 0.00 55.73 55.37 3gpw s ARG 19 Cb 0.40 -2.50 0.01 0.00 -1.56 0.00 0.00 34.95 31.30 3gpw s ARG 19 CO 0.02 0.30 -0.15 0.95 -0.81 0.00 0.00 175.30 175.61 3gpw s THR 20 N 0.11 1.40 0.24 4.11 -4.23 -0.47 -4.76 115.64 112.04 3gpw s THR 20 Ca -0.07 -0.62 0.11 0.00 -1.18 0.00 0.00 61.69 59.93 3gpw s THR 20 Cb -0.15 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.38 3gpw s THR 20 CO 0.05 0.41 -0.19 0.42 -0.54 0.00 0.00 174.62 174.78 3gpw s THR 21 N 0.70 2.24 -0.40 3.99 -4.23 -1.26 -0.96 115.64 115.72 3gpw s THR 21 Ca -0.13 -2.28 0.01 0.00 -1.18 0.00 0.00 61.69 58.11 3gpw s THR 21 Cb -0.16 -2.18 0.13 0.00 1.34 0.00 0.00 72.50 71.63 3gpw s THR 21 CO 0.03 -0.41 0.22 0.42 -0.54 0.00 0.00 174.62 174.34 3gpw s THR 22 N -2.48 0.88 0.00 3.99 -4.23 -0.62 -4.86 115.64 108.31 3gpw s THR 22 Ca 0.26 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3gpw s THR 22 Cb -0.04 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.17 3gpw s THR 22 CO 0.12 -0.91 0.00 0.61 -0.54 0.00 0.00 174.62 173.90 3gpw n GLY 23 N 3.84 0.56 0.22 3.99 0.00 -1.26 -2.81 105.19 109.74 3gpw n GLY 23 Ca 0.09 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.43 3gpw n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw n ALA 24 N 8.74 2.92 -2.18 4.61 0.00 -1.26 -4.87 120.51 128.46 3gpw n ALA 24 Ca 0.00 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.68 3gpw n ALA 24 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 3gpw n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3gpw s TYR 25 N -2.44 3.83 -0.57 0.00 5.04 -1.12 -5.01 117.35 117.08 3gpw s TYR 25 Ca 0.27 1.61 -0.22 0.00 -2.44 0.00 0.00 57.07 56.29 3gpw s TYR 25 Cb 0.20 -2.84 0.06 0.00 0.35 0.00 0.00 41.96 39.73 3gpw s TYR 25 CO 0.49 0.37 0.83 0.42 -1.34 0.00 0.00 175.55 176.32 3gpw s ILE 26 N -0.54 4.55 0.21 3.14 -1.09 -1.26 -1.60 121.20 124.61 3gpw s ILE 26 Ca 0.39 -0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 3gpw s ILE 26 Cb -0.22 -4.51 -0.06 0.00 -1.58 0.00 0.00 42.46 36.09 3gpw s ILE 26 CO 0.26 -1.13 1.51 0.00 -1.23 0.00 0.00 174.94 174.35 3gpw h ALA 27 N 9.29 0.74 -3.18 9.38 0.00 -1.38 -3.43 119.26 130.67 3gpw h ALA 27 Ca -0.28 -0.54 -0.26 0.00 0.00 0.00 0.00 54.91 53.83 3gpw h ALA 27 Cb 1.08 -0.08 -0.33 0.00 0.00 0.00 0.00 17.79 18.46 3gpw h ALA 27 CO 1.08 0.72 -0.61 1.21 0.00 0.00 0.00 179.25 181.65 3gpw s ASN 28 N -6.92 0.25 0.00 0.00 3.84 -1.07 -5.01 114.94 106.03 3gpw s ASN 28 Ca -0.06 0.32 0.17 0.00 0.21 0.00 0.00 52.86 53.51 3gpw s ASN 28 Cb 0.11 0.24 0.25 0.00 -0.55 0.00 0.00 41.25 41.30 3gpw s ASN 28 CO 0.82 -0.19 1.17 -2.11 -2.79 0.00 0.00 177.10 174.00 3gpw n ARG 29 N 4.69 1.87 -1.14 0.43 1.85 -1.25 -1.37 116.66 121.74 3gpw n ARG 29 Ca -0.17 -1.81 0.05 0.00 -1.00 0.00 0.00 57.85 54.92 3gpw n ARG 29 Cb 0.51 -1.37 0.10 0.00 -1.05 0.00 0.00 32.46 30.65 3gpw n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3gpw n VAL 30 N 1.03 0.90 -1.67 8.89 0.24 -0.92 -4.36 118.33 122.44 3gpw n VAL 30 Ca 0.13 -1.92 -0.37 0.00 -2.04 0.00 0.00 64.34 60.14 3gpw n VAL 30 Cb 0.47 0.49 0.07 0.00 -1.47 0.00 0.00 33.84 33.40 3gpw n VAL 30 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3gpw n THR 31 N -0.16 4.53 -3.86 3.34 -1.04 -0.58 -4.99 114.28 111.51 3gpw n THR 31 Ca 0.11 -0.49 -0.34 0.00 -2.04 0.00 0.00 64.05 61.30 3gpw n THR 31 Cb 0.96 -1.39 -0.13 0.00 -1.82 0.00 0.00 70.33 67.96 3gpw n THR 31 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gpw s ASP 32 N -1.39 5.08 0.00 8.00 3.68 -1.26 -4.40 116.67 126.38 3gpw s ASP 32 Ca 0.81 -2.08 0.29 0.00 2.13 0.00 0.00 52.55 53.70 3gpw s ASP 32 Cb -0.38 -1.76 1.30 0.00 -1.45 0.00 0.00 42.92 40.63 3gpw s ASP 32 CO 0.42 -0.48 1.88 0.29 0.13 0.00 0.00 175.17 177.41 3gpw n LYS 33 N 4.47 1.40 -3.30 4.34 5.02 -1.26 -4.68 118.16 124.15 3gpw n LYS 33 Ca -0.00 -0.64 -0.44 0.00 -2.02 0.00 0.00 58.31 55.21 3gpw n LYS 33 Cb 0.42 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 3gpw n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gpw s LEU 34 N -2.04 5.38 -0.08 -0.35 1.43 -1.26 -2.08 118.68 119.68 3gpw s LEU 34 Ca 0.40 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 3gpw s LEU 34 Cb 0.21 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 3gpw s LEU 34 CO 0.36 -0.74 -0.08 -0.89 0.23 0.00 0.00 176.35 175.23 3gpw s THR 35 N 2.01 3.62 -0.22 5.49 2.01 -0.73 -4.96 115.64 122.86 3gpw s THR 35 Ca 0.08 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 3gpw s THR 35 Cb -0.22 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 3gpw s THR 35 CO 0.09 0.58 0.54 -0.60 -0.69 0.00 0.00 174.62 174.54 3gpw s ARG 36 N -0.60 4.16 0.00 4.92 3.52 -1.26 -0.53 118.95 129.15 3gpw s ARG 36 Ca 0.09 0.42 0.12 0.00 -0.13 0.00 0.00 55.73 56.23 3gpw s ARG 36 Cb -0.12 -3.59 -0.11 0.00 -1.56 0.00 0.00 34.95 29.57 3gpw s ARG 36 CO 0.02 -0.23 0.55 1.33 -0.81 0.00 0.00 175.30 176.16 3gpw n VAL 37 N 4.77 0.00 -3.60 7.11 0.24 -0.76 -4.91 118.33 121.18 3gpw n VAL 37 Ca -0.04 -0.24 -0.05 0.00 -2.04 0.00 0.00 64.34 61.97 3gpw n VAL 37 Cb 0.50 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 3gpw n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3gpw s HIS 38 N -2.04 -0.20 0.24 6.34 5.65 -0.69 -4.43 115.29 120.16 3gpw s HIS 38 Ca 0.06 0.05 -0.11 0.00 0.25 0.00 0.00 55.06 55.31 3gpw s HIS 38 Cb 0.09 0.56 0.34 0.00 -1.18 0.00 0.00 32.58 32.40 3gpw s HIS 38 CO 0.46 -0.51 1.60 -0.44 -0.65 0.00 0.00 174.74 175.20 3gpw h ASP 39 N 2.00 -0.70 -0.45 9.88 3.32 -2.01 -2.62 116.42 125.84 3gpw h ASP 39 Ca -0.21 0.23 -0.33 0.00 0.02 0.00 0.00 57.03 56.74 3gpw h ASP 39 Cb 1.22 0.48 -0.32 0.00 0.22 0.00 0.00 39.33 40.92 3gpw h ASP 39 CO 0.27 -0.26 -0.82 0.29 -1.72 0.00 0.00 179.24 177.00 3gpw n LYS 40 N -5.50 2.46 -3.63 3.56 5.02 -1.26 -4.93 118.16 113.88 3gpw n LYS 40 Ca 0.11 -3.65 -0.26 0.00 -2.02 0.00 0.00 58.31 52.49 3gpw n LYS 40 Cb 0.41 -1.79 -0.17 0.00 -0.02 0.00 0.00 35.03 33.46 3gpw n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gpw s ILE 41 N -3.72 0.01 0.44 -0.18 1.01 -0.99 -0.93 121.20 116.85 3gpw s ILE 41 Ca 0.42 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.85 3gpw s ILE 41 Cb 0.38 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 42.13 3gpw s ILE 41 CO -0.02 -0.29 0.02 0.26 0.00 0.00 0.00 174.94 174.90 3gpw s TRP 42 N 2.09 2.21 0.05 3.97 0.52 0.25 -1.70 118.94 126.33 3gpw s TRP 42 Ca 0.02 -0.83 -0.02 0.00 0.02 0.00 0.00 56.10 55.29 3gpw s TRP 42 Cb -0.16 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 3gpw s TRP 42 CO -0.10 0.29 0.01 0.00 0.02 0.00 0.00 176.95 177.17 3gpw s ARG 45 N 0.30 3.48 0.05 0.00 0.52 -0.88 -1.67 118.95 120.75 3gpw s ARG 45 Ca -0.05 -0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 54.58 3gpw s ARG 45 Cb -0.14 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 3gpw s ARG 45 CO 0.04 0.32 0.06 -1.54 0.02 0.00 0.00 175.30 174.19 3gpw s SER 46 N 0.14 0.27 0.00 0.23 1.04 -0.56 -4.91 113.70 109.91 3gpw s SER 46 Ca -0.02 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3gpw s SER 46 Cb -0.14 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3gpw s SER 46 CO 0.03 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.31 3gpw n GLY 47 N 0.51 0.84 3.69 7.32 0.00 -1.26 -0.46 105.19 115.82 3gpw n GLY 47 Ca -0.17 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 3gpw n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gpw s SER 48 N -4.00 7.17 0.13 1.61 0.15 0.12 -4.93 113.70 113.95 3gpw s SER 48 Ca 0.00 1.66 -0.15 0.00 0.70 0.00 0.00 55.95 58.16 3gpw s SER 48 Cb 0.00 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3gpw s SER 48 CO 0.00 -0.50 1.60 0.00 1.20 0.00 0.00 173.24 175.54 3gpw h ALA 49 N 7.22 0.54 -0.21 5.45 0.00 -1.92 -0.17 119.26 130.18 3gpw h ALA 49 Ca -0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3gpw h ALA 49 Cb 1.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3gpw h ALA 49 CO 0.86 0.26 0.11 0.00 0.00 0.00 0.00 179.25 180.48 3gpw h ALA 50 N 0.92 0.27 -0.01 0.00 0.00 -1.97 -1.52 119.26 116.95 3gpw h ALA 50 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gpw h ALA 50 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gpw h ALA 50 CO 0.01 -0.18 0.00 -0.44 0.00 0.00 0.00 179.25 178.65 3gpw h ASP 51 N 0.22 0.02 -0.56 0.00 3.32 -1.86 -1.99 116.42 115.57 3gpw h ASP 51 Ca 0.07 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3gpw h ASP 51 Cb 0.10 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3gpw h ASP 51 CO -0.01 0.24 0.34 0.71 -1.72 0.00 0.00 179.24 178.80 3gpw h THR 52 N -0.19 1.16 0.28 0.35 1.35 -1.01 0.81 112.91 115.66 3gpw h THR 52 Ca 0.00 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 3gpw h THR 52 Cb 0.22 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 3gpw h THR 52 CO -0.00 0.17 -0.13 1.56 -0.25 0.00 0.00 175.52 176.86 3gpw h GLN 53 N 0.78 -0.36 -0.90 4.72 4.20 -1.19 0.22 115.11 122.58 3gpw h GLN 53 Ca 0.21 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.03 3gpw h GLN 53 Cb -0.03 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 3gpw h GLN 53 CO -0.04 -0.08 0.55 0.00 -0.67 0.00 0.00 178.83 178.58 3gpw h ALA 54 N 0.02 1.28 0.27 3.87 0.00 -0.97 0.16 119.26 123.89 3gpw h ALA 54 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gpw h ALA 54 Cb 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gpw h ALA 54 CO 0.06 0.22 -0.13 0.82 0.00 0.00 0.00 179.25 180.22 3gpw h ILE 55 N 0.93 0.77 -0.20 0.00 2.04 -0.69 -2.32 117.51 118.04 3gpw h ILE 55 Ca 0.42 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 66.02 3gpw h ILE 55 Cb 0.31 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3gpw h ILE 55 CO -0.22 0.07 -0.05 0.00 0.00 0.00 0.00 178.15 177.94 3gpw h ALA 56 N 0.15 0.13 -0.89 1.87 0.00 -0.37 -0.33 119.26 119.82 3gpw h ALA 56 Ca -0.04 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3gpw h ALA 56 Cb 0.39 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3gpw h ALA 56 CO 0.06 -0.48 0.49 -0.44 0.00 0.00 0.00 179.25 178.89 3gpw h ASP 57 N 0.00 0.64 -0.31 0.00 3.45 -0.69 0.79 116.42 120.30 3gpw h ASP 57 Ca 0.10 0.08 -0.14 0.00 0.43 0.00 0.00 57.03 57.50 3gpw h ASP 57 Cb 0.14 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3gpw h ASP 57 CO -0.20 0.28 -0.36 0.40 -1.57 0.00 0.00 179.24 177.79 3gpw h ILE 58 N 0.71 1.29 -0.40 0.35 2.04 -0.75 -2.23 117.51 118.53 3gpw h ILE 58 Ca 0.48 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3gpw h ILE 58 Cb 0.64 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3gpw h ILE 58 CO -0.34 0.50 0.25 0.58 0.00 0.00 0.00 178.15 179.14 3gpw h VAL 59 N 0.55 1.11 -0.59 1.67 2.07 0.07 0.27 116.25 121.41 3gpw h VAL 59 Ca 0.04 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3gpw h VAL 59 Cb 0.95 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3gpw h VAL 59 CO 0.09 0.11 0.25 -0.61 0.02 0.00 0.00 177.57 177.43 3gpw h GLN 60 N 0.53 0.45 -0.11 1.57 4.15 -0.84 0.16 115.11 121.02 3gpw h GLN 60 Ca 0.14 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.54 3gpw h GLN 60 Cb -0.04 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3gpw h GLN 60 CO -0.03 0.30 0.05 -0.92 -1.93 0.00 0.00 178.83 176.30 3gpw h TYR 61 N 0.47 0.09 -0.89 3.99 3.20 -0.79 -0.20 116.97 122.84 3gpw h TYR 61 Ca 0.28 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.18 3gpw h TYR 61 Cb 0.29 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 3gpw h TYR 61 CO -0.14 0.05 0.59 0.45 -1.64 0.00 0.00 178.16 177.47 3gpw h HIS 62 N 0.11 1.10 0.00 -3.82 3.86 0.06 -2.00 115.15 114.46 3gpw h HIS 62 Ca 0.05 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 3gpw h HIS 62 Cb 0.01 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 3gpw h HIS 62 CO -0.09 0.68 -0.57 -0.07 0.86 0.00 0.00 177.93 178.73 3gpw h LEU 63 N 1.17 0.00 -0.23 2.43 3.38 -0.40 -1.53 115.31 120.13 3gpw h LEU 63 Ca 0.34 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 3gpw h LEU 63 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gpw h LEU 63 CO -0.08 0.57 -0.09 -0.08 0.09 0.00 0.00 178.44 178.84 3gpw h GLU 64 N 0.00 0.48 -0.17 1.13 4.81 -0.45 -0.62 114.58 119.75 3gpw h GLU 64 Ca -0.01 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 58.92 3gpw h GLU 64 Cb 1.23 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3gpw h GLU 64 CO 0.07 0.73 -0.35 1.25 -0.73 0.00 0.00 179.01 179.99 3gpw h LEU 65 N 0.20 0.37 -0.19 1.64 5.85 -1.33 -1.94 115.31 119.91 3gpw h LEU 65 Ca 0.05 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3gpw h LEU 65 Cb 0.58 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3gpw h LEU 65 CO 0.03 0.70 0.08 0.22 -0.34 0.00 0.00 178.44 179.12 3gpw h TYR 66 N 0.31 0.28 -0.58 1.25 3.20 -1.09 -2.76 116.97 117.57 3gpw h TYR 66 Ca 0.04 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3gpw h TYR 66 Cb 0.76 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 3gpw h TYR 66 CO 0.02 0.34 0.37 1.15 -1.64 0.00 0.00 178.16 178.40 3gpw h THR 67 N 0.15 1.11 -0.47 1.81 2.02 -0.88 0.45 112.91 117.09 3gpw h THR 67 Ca 0.06 -0.26 0.12 0.00 0.77 0.00 0.00 66.41 67.11 3gpw h THR 67 Cb 0.17 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3gpw h THR 67 CO -0.01 0.14 0.33 0.28 0.37 0.00 0.00 175.52 176.63 3gpw h SER 68 N 0.75 0.09 0.00 4.18 0.02 -1.16 -1.48 113.55 115.95 3gpw h SER 68 Ca 0.22 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.87 3gpw h SER 68 Cb -0.04 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.43 3gpw h SER 68 CO -0.07 0.05 -2.15 0.00 -1.14 0.00 0.00 176.83 173.52 3gpw n GLN 69 N -4.43 0.69 -0.01 3.45 6.02 -0.72 -4.78 117.38 117.61 3gpw n GLN 69 Ca 0.08 0.09 0.01 0.00 -0.01 0.00 0.00 57.00 57.17 3gpw n GLN 69 Cb 0.48 -1.41 0.01 0.00 1.02 0.00 0.00 30.24 30.34 3gpw n GLN 69 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3gpw n TYR 70 N -3.00 0.00 -2.22 1.08 4.02 0.15 -5.11 117.16 112.08 3gpw n TYR 70 Ca -0.34 -0.44 0.00 0.00 -0.01 0.00 0.00 57.90 57.11 3gpw n TYR 70 Cb 0.91 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 3gpw n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gpw n GLY 72 N -0.47 -2.21 3.69 2.72 0.00 -0.56 -4.90 105.19 103.47 3gpw n GLY 72 Ca 0.01 -1.61 -0.44 0.00 0.00 0.00 0.00 46.02 43.97 3gpw n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gpw n THR 73 N -0.20 0.11 -2.96 2.61 -1.04 -1.26 -3.70 114.28 107.85 3gpw n THR 73 Ca 0.00 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 3gpw n THR 73 Cb 0.00 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 66.75 3gpw n THR 73 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3gpw s PRO 74 N 0.84 4.01 0.54 -2.82 0.04 -1.26 -5.03 135.00 131.32 3gpw s PRO 74 Ca 0.76 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 3gpw s PRO 74 Cb -0.61 -2.34 -0.07 0.00 0.04 0.00 0.00 34.50 31.52 3gpw s PRO 74 CO 0.37 0.05 1.01 -1.54 0.04 0.00 0.00 177.00 176.93 3gpw s SER 75 N -2.46 6.37 0.36 6.66 1.04 -1.26 -4.92 113.70 119.50 3gpw s SER 75 Ca 0.56 1.65 0.05 0.00 0.48 0.00 0.00 55.95 58.69 3gpw s SER 75 Cb -0.10 -2.52 0.73 0.00 0.10 0.00 0.00 66.02 64.24 3gpw s SER 75 CO 0.20 -0.76 1.98 0.74 0.98 0.00 0.00 173.24 176.38 3gpw h THR 76 N 0.79 1.06 -0.86 2.02 2.02 -1.94 -0.26 112.91 115.74 3gpw h THR 76 Ca -0.47 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3gpw h THR 76 Cb 1.20 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3gpw h THR 76 CO 0.60 0.14 0.56 -0.08 0.37 0.00 0.00 175.52 177.11 3gpw h GLU 77 N 0.76 1.13 -0.52 6.66 4.81 -1.99 -1.60 114.58 123.83 3gpw h GLU 77 Ca 0.28 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3gpw h GLU 77 Cb 0.16 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3gpw h GLU 77 CO -0.08 0.75 -0.01 1.15 -0.73 0.00 0.00 179.01 180.09 3gpw h THR 78 N 1.16 1.25 -0.36 0.32 2.02 -1.44 -1.08 112.91 114.79 3gpw h THR 78 Ca 0.31 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 3gpw h THR 78 Cb -0.13 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3gpw h THR 78 CO -0.07 0.38 0.09 0.00 0.37 0.00 0.00 175.52 176.29 3gpw h ALA 79 N 1.17 0.47 -0.04 6.16 0.00 -0.81 -2.05 119.26 124.17 3gpw h ALA 79 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gpw h ALA 79 Cb 0.50 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gpw h ALA 79 CO 0.02 0.15 -0.09 0.00 0.00 0.00 0.00 179.25 179.34 3gpw h ALA 80 N 0.93 1.79 -0.25 0.00 0.00 -1.06 -1.98 119.26 118.69 3gpw h ALA 80 Ca 0.11 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3gpw h ALA 80 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3gpw h ALA 80 CO 0.00 0.16 -0.49 1.03 0.00 0.00 0.00 179.25 179.95 3gpw h SER 81 N 0.05 0.76 -0.37 0.00 0.87 -0.69 -0.72 113.55 113.45 3gpw h SER 81 Ca 0.01 -0.38 -0.10 0.00 -1.23 0.00 0.00 61.79 60.09 3gpw h SER 81 Cb 0.19 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3gpw h SER 81 CO 0.01 1.12 -0.17 0.58 -0.53 0.00 0.00 176.83 177.84 3gpw h VAL 82 N 0.55 1.28 -0.01 2.23 2.07 -0.70 -0.86 116.25 120.81 3gpw h VAL 82 Ca 0.03 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.26 3gpw h VAL 82 Cb 1.05 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3gpw h VAL 82 CO 0.10 0.43 -0.05 -0.26 0.02 0.00 0.00 177.57 177.81 3gpw h PHE 83 N 0.57 -0.12 -0.36 1.57 0.04 -1.33 -2.49 116.94 114.83 3gpw h PHE 83 Ca 0.08 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.93 3gpw h PHE 83 Cb 0.71 0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.85 3gpw h PHE 83 CO 0.06 -0.08 -0.08 -0.22 -0.60 0.00 0.00 178.31 177.39 3gpw h LYS 84 N -0.08 0.01 -0.50 1.51 3.11 -0.97 -0.50 116.57 119.16 3gpw h LYS 84 Ca 0.02 -0.00 0.10 0.00 -2.81 0.00 0.00 60.65 57.96 3gpw h LYS 84 Cb 0.11 -0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.25 3gpw h LYS 84 CO -0.06 0.00 -0.04 1.49 -2.81 0.00 0.00 179.45 178.04 3gpw h GLU 85 N 0.01 0.08 -0.58 1.90 4.57 -0.87 0.28 114.58 119.96 3gpw h GLU 85 Ca 0.17 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 3gpw h GLU 85 Cb 0.26 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 3gpw h GLU 85 CO -0.37 0.05 -0.03 -0.07 -1.18 0.00 0.00 179.01 177.42 3gpw h LEU 86 N 0.08 1.02 -0.12 1.64 3.38 -0.93 -2.10 115.31 118.28 3gpw h LEU 86 Ca 0.25 -0.32 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 3gpw h LEU 86 Cb 0.38 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3gpw h LEU 86 CO -0.45 1.09 -0.92 0.00 0.09 0.00 0.00 178.44 178.26 3gpw h TYR 88 N 0.39 -0.09 0.00 0.00 5.03 -0.51 -2.26 116.97 119.54 3gpw h TYR 88 Ca -0.09 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.21 3gpw h TYR 88 Cb 1.55 0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.86 3gpw h TYR 88 CO 0.08 0.46 -0.03 1.49 -1.32 0.00 0.00 178.16 178.85 3gpw h GLU 89 N -0.72 0.00 -0.03 1.82 4.57 -1.51 -2.71 114.58 115.99 3gpw h GLU 89 Ca -0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3gpw h GLU 89 Cb 0.59 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.12 3gpw h GLU 89 CO 0.02 0.03 -0.57 0.09 -1.18 0.00 0.00 179.01 177.40 3gpw n ASN 90 N -3.33 1.77 -0.01 1.04 3.02 -1.10 -4.83 115.26 111.82 3gpw n ASN 90 Ca -0.02 -3.72 0.18 0.00 -0.03 0.00 0.00 54.58 50.99 3gpw n ASN 90 Cb 0.15 -0.50 0.64 0.00 -0.61 0.00 0.00 39.78 39.46 3gpw n ASN 90 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3gpw h LYS 91 N 1.05 0.09 0.00 3.52 2.10 -1.07 -1.97 116.57 120.30 3gpw h LYS 91 Ca -0.01 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 3gpw h LYS 91 Cb 1.11 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 3gpw h LYS 91 CO 0.04 0.06 -0.28 -0.44 -2.00 0.00 0.00 179.45 176.83 3gpw h ASP 92 N 0.09 0.00 -0.14 7.07 3.45 -1.88 -3.26 116.42 121.76 3gpw h ASP 92 Ca 0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.71 3gpw h ASP 92 Cb 0.88 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.65 3gpw h ASP 92 CO -0.02 0.28 0.00 0.59 -1.57 0.00 0.00 179.24 178.51 3gpw n ASN 94 N -3.52 2.21 -4.36 6.45 3.02 -0.77 -5.02 115.26 113.27 3gpw n ASN 94 Ca -0.00 -1.78 -0.24 0.00 -0.03 0.00 0.00 54.58 52.52 3gpw n ASN 94 Cb 0.43 -0.09 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 3gpw n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gpw s LEU 95 N -0.86 2.40 -0.43 3.41 1.43 -1.01 -5.06 118.68 118.57 3gpw s LEU 95 Ca 0.11 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3gpw s LEU 95 Cb 0.06 -0.97 0.16 0.00 0.03 0.00 0.00 46.19 45.47 3gpw s LEU 95 CO 0.08 0.05 0.32 -0.89 0.23 0.00 0.00 176.35 176.14 3gpw s THR 96 N -1.69 0.60 -0.05 5.49 2.01 -1.26 -4.89 115.64 115.85 3gpw s THR 96 Ca 0.15 -2.58 -0.01 0.00 0.31 0.00 0.00 61.69 59.56 3gpw s THR 96 Cb -0.08 -1.43 0.03 0.00 0.01 0.00 0.00 72.50 71.04 3gpw s THR 96 CO 0.07 -1.14 0.02 0.00 -0.69 0.00 0.00 174.62 172.89 3gpw s ALA 97 N 0.17 0.41 -0.28 7.40 0.00 -1.26 0.16 121.76 128.36 3gpw s ALA 97 Ca 0.28 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 3gpw s ALA 97 Cb -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3gpw s ALA 97 CO -0.14 -0.36 0.05 0.20 0.00 0.00 0.00 175.76 175.51 3gpw s GLY 98 N 1.77 1.75 -0.05 0.00 0.00 0.40 -4.19 107.32 107.00 3gpw s GLY 98 Ca 0.01 -1.41 0.05 0.00 0.00 0.00 0.00 44.72 43.36 3gpw s GLY 98 CO -0.03 0.60 -0.19 -0.42 0.00 0.00 0.00 173.10 173.06 3gpw s ILE 99 N 1.48 1.54 -0.19 0.90 1.01 -0.43 -1.49 121.20 124.02 3gpw s ILE 99 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 3gpw s ILE 99 Cb -0.17 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 3gpw s ILE 99 CO 0.01 0.44 -0.09 -0.63 0.00 0.00 0.00 174.94 174.67 3gpw s ILE 100 N -0.00 3.11 -0.18 2.92 1.01 -0.67 0.24 121.20 127.63 3gpw s ILE 100 Ca -0.04 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 3gpw s ILE 100 Cb -0.12 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 3gpw s ILE 100 CO 0.02 0.47 0.17 -0.69 0.00 0.00 0.00 174.94 174.91 3gpw s VAL 101 N 1.10 5.40 -0.04 2.92 1.01 0.14 0.37 120.40 131.29 3gpw s VAL 101 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3gpw s VAL 101 Cb -0.15 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.77 3gpw s VAL 101 CO -0.02 0.46 -0.01 0.00 0.00 0.00 0.00 175.10 175.53 3gpw s ALA 102 N 0.14 0.50 0.05 5.51 0.00 0.24 -0.91 121.76 127.30 3gpw s ALA 102 Ca 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 3gpw s ALA 102 Cb -0.12 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 3gpw s ALA 102 CO 0.00 -0.17 0.08 0.20 0.00 0.00 0.00 175.76 175.87 3gpw s GLY 103 N 1.27 0.23 -0.19 0.00 0.00 -0.88 -0.58 107.32 107.17 3gpw s GLY 103 Ca -0.06 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 3gpw s GLY 103 CO -0.02 -0.88 -0.13 -0.47 0.00 0.00 0.00 173.10 171.61 3gpw s TYR 104 N -3.18 2.85 0.18 1.90 6.14 -0.10 -1.41 117.35 123.72 3gpw s TYR 104 Ca -0.00 -1.21 0.09 0.00 0.64 0.00 0.00 57.07 56.59 3gpw s TYR 104 Cb 0.02 -1.98 -0.04 0.00 0.42 0.00 0.00 41.96 40.38 3gpw s TYR 104 CO -0.07 -0.62 -0.11 0.34 0.64 0.00 0.00 175.55 175.73 3gpw s ASP 105 N 1.22 4.18 0.07 4.32 2.15 0.85 -4.85 116.67 124.62 3gpw s ASP 105 Ca 0.02 -0.60 0.03 0.00 0.43 0.00 0.00 52.55 52.43 3gpw s ASP 105 Cb -0.14 -0.68 -0.24 0.00 -0.30 0.00 0.00 42.92 41.55 3gpw s ASP 105 CO -0.06 0.11 1.12 -0.78 -0.17 0.00 0.00 175.17 175.39 3gpw h ASP 10 N 2.96 0.19 0.18 -0.34 3.58 -2.00 0.34 116.42 121.32 3gpw h ASP 10 Ca -0.47 -0.22 -0.27 0.00 0.42 0.00 0.00 57.03 56.50 3gpw h ASP 10 Cb 1.20 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 42.21 3gpw h ASP 10 CO 0.54 1.17 -1.25 0.50 -2.88 0.00 0.00 179.24 177.32 3gpw h LYS 10 N 0.03 0.37 0.00 0.28 3.11 -2.05 -3.37 116.57 114.95 3gpw h LYS 10 Ca -0.11 -0.64 0.00 0.00 -2.81 0.00 0.00 60.65 57.10 3gpw h LYS 10 Cb 1.89 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 33.36 3gpw h LYS 10 CO 0.15 1.30 -0.94 0.09 -2.81 0.00 0.00 179.45 177.25 3gpw n ASN 106 N -3.90 0.66 0.00 4.20 3.02 -1.25 -5.06 115.26 112.92 3gpw n ASN 106 Ca -0.18 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 3gpw n ASN 106 Cb 0.95 0.76 0.00 0.00 -0.61 0.00 0.00 39.78 40.89 3gpw n ASN 106 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3gpw n LYS 107 N -1.77 0.00 -3.16 3.52 4.81 0.12 -4.71 118.16 116.97 3gpw n LYS 107 Ca 0.03 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.12 3gpw n LYS 107 Cb 0.40 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.39 3gpw n LYS 107 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3gpw s GLY 108 N -0.44 2.50 -0.02 3.14 0.00 -1.25 -0.11 107.32 111.13 3gpw s GLY 108 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 44.72 44.72 3gpw s GLY 108 CO 0.00 0.36 0.15 -0.54 0.00 0.00 0.00 173.10 173.08 3gpw s GLU 109 N -2.30 0.38 -0.07 2.90 2.02 -0.50 -4.94 118.70 116.18 3gpw s GLU 109 Ca 0.46 -0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.31 3gpw s GLU 109 Cb -0.14 0.16 0.02 0.00 0.10 0.00 0.00 34.13 34.27 3gpw s GLU 109 CO 0.20 -0.08 -0.07 0.08 0.02 0.00 0.00 175.26 175.41 3gpw s VAL 110 N -0.81 0.76 -0.10 2.63 1.01 -1.25 -2.08 120.40 120.56 3gpw s VAL 110 Ca -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3gpw s VAL 110 Cb -0.05 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.57 3gpw s VAL 110 CO 0.01 0.29 -0.18 -0.31 0.00 0.00 0.00 175.10 174.91 3gpw s TYR 111 N 1.12 2.11 -0.18 5.22 1.51 -0.09 -1.15 117.35 125.89 3gpw s TYR 111 Ca -0.07 -0.94 -0.04 0.00 -1.01 0.00 0.00 57.07 55.01 3gpw s TYR 111 Cb -0.14 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 3gpw s TYR 111 CO -0.01 -0.44 -0.02 -0.08 -1.11 0.00 0.00 175.55 173.89 3gpw s THR 112 N 0.74 3.85 -0.50 -0.71 -1.32 0.90 0.23 115.64 118.83 3gpw s THR 112 Ca -0.11 -0.36 -0.05 0.00 -1.21 0.00 0.00 61.69 59.96 3gpw s THR 112 Cb -0.16 -2.72 0.13 0.00 -1.51 0.00 0.00 72.50 68.25 3gpw s THR 112 CO 0.02 0.46 0.32 -0.63 -2.21 0.00 0.00 174.62 172.58 3gpw s ILE 113 N 0.78 3.70 0.93 5.08 1.09 0.14 -1.37 121.20 131.54 3gpw s ILE 113 Ca -0.01 -2.27 -0.15 0.00 -1.10 0.00 0.00 60.65 57.13 3gpw s ILE 113 Cb -0.14 -3.46 0.17 0.00 -1.06 0.00 0.00 42.46 37.96 3gpw s ILE 113 CO 0.02 -0.78 1.25 -2.16 -0.10 0.00 0.00 174.94 173.17 3gpw s PRO 114 N 0.81 0.90 0.20 2.79 0.04 -1.23 -1.31 135.00 137.20 3gpw s PRO 114 Ca 0.10 -0.16 -0.13 0.00 0.04 0.00 0.00 61.00 60.86 3gpw s PRO 114 Cb -0.22 -1.85 0.23 0.00 0.04 0.00 0.00 34.50 32.70 3gpw s PRO 114 CO -0.03 -2.27 1.27 1.28 0.04 0.00 0.00 177.00 177.28 3gpw n LEU 115 N -3.73 -0.49 0.25 -3.56 4.32 -1.26 -1.20 117.00 111.34 3gpw n LEU 115 Ca 0.12 1.42 0.17 0.00 -0.02 0.00 0.00 56.01 57.71 3gpw n LEU 115 Cb 0.60 -0.35 0.86 0.00 -1.62 0.00 0.00 43.42 42.92 3gpw n LEU 115 CO 0.50 -1.30 1.01 1.23 -1.22 0.00 0.00 177.39 177.62 3gpw h GLY 116 N 0.00 0.00 0.00 -0.72 0.00 -1.93 -3.46 103.07 96.97 3gpw h GLY 116 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3gpw h GLY 116 CO -0.82 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.33 3gpw n GLY 117 N -0.85 1.10 3.88 4.60 0.00 -0.34 -4.50 105.19 109.08 3gpw n GLY 117 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3gpw n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gpw s SER 118 N -2.00 6.25 -0.04 1.61 1.04 -1.26 -4.38 113.70 114.92 3gpw s SER 118 Ca 0.00 1.31 0.06 0.00 0.48 0.00 0.00 55.95 57.81 3gpw s SER 118 Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 3gpw s SER 118 CO 0.00 -0.79 -0.22 -0.69 0.98 0.00 0.00 173.24 172.51 3gpw s VAL 119 N -3.06 2.34 -0.09 5.02 1.01 -1.26 -3.55 120.40 120.80 3gpw s VAL 119 Ca 0.53 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 3gpw s VAL 119 Cb -0.11 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.46 3gpw s VAL 119 CO 0.51 0.58 0.06 -1.00 0.00 0.00 0.00 175.10 175.25 3gpw s HIS 120 N -0.55 0.24 -0.10 5.22 3.76 -0.47 -4.97 115.29 118.43 3gpw s HIS 120 Ca 0.08 -0.04 -0.23 0.00 -0.15 0.00 0.00 55.06 54.72 3gpw s HIS 120 Cb -0.11 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.93 3gpw s HIS 120 CO 0.00 -0.33 0.68 0.21 -0.85 0.00 0.00 174.74 174.45 3gpw s LYS 121 N 2.11 4.39 0.14 1.40 2.20 -1.26 -0.07 119.74 128.66 3gpw s LYS 121 Ca 0.04 0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 56.39 3gpw s LYS 121 Cb -0.14 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 3gpw s LYS 121 CO -0.05 0.00 0.21 -0.51 -0.36 0.00 0.00 175.35 174.64 3gpw s LEU 122 N 1.03 1.26 0.39 5.43 1.43 -0.30 -5.00 118.68 122.92 3gpw s LEU 122 Ca 0.35 -0.91 0.10 0.00 -1.03 0.00 0.00 54.13 52.64 3gpw s LEU 122 Cb -0.17 0.94 0.80 0.00 0.03 0.00 0.00 46.19 47.79 3gpw s LEU 122 CO 0.16 -0.82 1.92 -0.65 0.23 0.00 0.00 176.35 177.19 3gpw h PRO 123 N 2.66 0.23 -2.64 1.29 0.11 -1.96 -3.34 132.00 128.36 3gpw h PRO 123 Ca -0.33 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.78 3gpw h PRO 123 Cb 1.21 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.16 3gpw h PRO 123 CO 0.52 0.37 0.35 1.52 -0.21 0.00 0.00 178.00 180.55 3gpw s TYR 124 N -4.73 -0.42 0.00 0.65 -0.85 -1.26 -1.36 117.35 109.38 3gpw s TYR 124 Ca -0.05 0.23 -0.14 0.00 -0.52 0.00 0.00 57.07 56.59 3gpw s TYR 124 Cb 0.15 0.56 0.02 0.00 0.38 0.00 0.00 41.96 43.07 3gpw s TYR 124 CO 0.73 -0.72 0.30 0.00 -1.52 0.00 0.00 175.55 174.34 3gpw s ALA 125 N -3.45 -0.73 0.10 9.51 0.00 -0.00 -4.99 121.76 122.20 3gpw s ALA 125 Ca 0.04 0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.27 3gpw s ALA 125 Cb -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3gpw s ALA 125 CO -0.10 -0.30 -0.14 0.96 0.00 0.00 0.00 175.76 176.18 3gpw s ILE 126 N -1.67 1.28 0.17 0.00 -4.36 -1.26 -1.31 121.20 114.04 3gpw s ILE 126 Ca -0.11 -1.58 -0.24 0.00 -0.26 0.00 0.00 60.65 58.46 3gpw s ILE 126 Cb -0.04 -1.39 0.06 0.00 1.25 0.00 0.00 42.46 42.34 3gpw s ILE 126 CO 0.02 -0.34 0.76 0.00 0.24 0.00 0.00 174.94 175.62 3gpw s ALA 127 N -1.83 -1.53 0.00 2.27 0.00 0.25 -4.98 121.76 115.94 3gpw s ALA 127 Ca 0.05 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3gpw s ALA 127 Cb -0.07 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3gpw s ALA 127 CO 0.03 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3gpw n GLY 128 N -0.40 1.71 0.26 0.00 0.00 -1.26 -1.64 105.19 103.86 3gpw n GLY 128 Ca -0.09 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 43.99 3gpw n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gpw h SER 129 N 0.00 0.21 0.41 1.61 4.64 -1.59 -1.33 113.55 117.51 3gpw h SER 129 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3gpw h SER 129 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3gpw h SER 129 CO 0.00 0.10 0.00 1.23 -0.87 0.00 0.00 176.83 177.29 3gpw h GLY 130 N 0.40 0.00 1.45 -0.77 0.00 -1.46 -3.09 103.07 99.61 3gpw h GLY 130 Ca 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.64 3gpw h GLY 130 CO -0.37 0.00 0.08 1.48 0.00 0.00 0.00 176.54 177.73 3gpw h SER 131 N 0.00 0.65 -0.91 0.19 4.64 -1.42 -3.01 113.55 113.69 3gpw h SER 131 Ca 0.00 -0.11 0.21 0.00 -0.47 0.00 0.00 61.79 61.42 3gpw h SER 131 Cb 0.20 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 62.06 3gpw h SER 131 CO 0.00 0.66 0.61 0.71 -0.87 0.00 0.00 176.83 177.94 3gpw h THR 132 N 0.67 0.65 0.00 2.95 1.35 -1.68 0.29 112.91 117.14 3gpw h THR 132 Ca 0.15 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 3gpw h THR 132 Cb 0.29 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 3gpw h THR 132 CO 0.00 0.07 0.00 -0.26 -0.25 0.00 0.00 175.52 175.08 3gpw h PHE 133 N 0.37 0.00 -0.36 4.73 0.04 -1.76 -3.26 116.94 116.70 3gpw h PHE 133 Ca 0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.25 3gpw h PHE 133 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 3gpw h PHE 133 CO -0.00 0.00 0.00 0.44 -0.60 0.00 0.00 178.31 178.15 3gpw n ILE 134 N -3.05 1.55 0.13 -0.55 -5.35 0.07 -4.60 119.36 107.55 3gpw n ILE 134 Ca 0.03 -1.32 -0.13 0.00 -0.27 0.00 0.00 62.75 61.05 3gpw n ILE 134 Cb 0.45 0.20 -0.07 0.00 -1.74 0.00 0.00 39.64 38.48 3gpw n ILE 134 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3gpw h TYR 135 N 2.26 -0.31 -0.35 4.28 0.05 -1.55 -0.46 116.97 120.89 3gpw h TYR 135 Ca 0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3gpw h TYR 135 Cb 1.07 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.91 3gpw h TYR 135 CO 0.40 -0.19 0.21 0.78 -1.05 0.00 0.00 178.16 178.31 3gpw h GLY 136 N -0.29 0.51 0.83 3.88 0.00 -1.85 -1.31 103.07 104.85 3gpw h GLY 136 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3gpw h GLY 136 CO -0.00 0.21 -0.13 -1.82 0.00 0.00 0.00 176.54 174.80 3gpw h TYR 137 N 0.46 -0.34 -0.60 5.60 3.20 -1.80 -1.94 116.97 121.56 3gpw h TYR 137 Ca 0.13 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3gpw h TYR 137 Cb 0.01 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3gpw h TYR 137 CO -0.04 -0.20 0.31 0.00 -1.64 0.00 0.00 178.16 176.59 3gpw h ASP 139 N 0.81 0.26 0.75 0.00 1.82 -1.08 0.61 116.42 119.60 3gpw h ASP 139 Ca 0.21 -0.03 -0.25 0.00 -0.39 0.00 0.00 57.03 56.57 3gpw h ASP 139 Cb 0.08 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 3gpw h ASP 139 CO -0.03 0.28 -1.25 0.11 -1.61 0.00 0.00 179.24 176.75 3gpw h LYS 140 N 0.29 0.10 0.00 0.28 1.79 -0.88 -3.38 116.57 114.77 3gpw h LYS 140 Ca 0.07 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3gpw h LYS 140 Cb 0.14 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3gpw h LYS 140 CO -0.00 0.99 -1.11 0.09 -1.08 0.00 0.00 179.45 178.34 3gpw n ASN 141 N -3.36 0.86 -4.76 0.86 4.13 -0.17 -4.98 115.26 107.84 3gpw n ASN 141 Ca -0.07 -0.85 -0.40 0.00 1.68 0.00 0.00 54.58 54.94 3gpw n ASN 141 Cb 0.99 1.13 -0.04 0.00 -1.54 0.00 0.00 39.78 40.33 3gpw n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3gpw s PHE 142 N -3.02 3.41 -0.02 3.10 5.36 0.17 -5.04 117.98 121.94 3gpw s PHE 142 Ca 0.06 1.64 -0.03 0.00 -0.96 0.00 0.00 56.93 57.64 3gpw s PHE 142 Cb 0.15 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.52 3gpw s PHE 142 CO 0.85 -0.80 0.08 1.03 -1.46 0.00 0.00 175.22 174.92 3gpw s ARG 143 N -1.74 0.17 0.39 10.12 0.52 -1.26 -5.01 118.95 122.14 3gpw s ARG 143 Ca 0.48 -0.02 -0.23 0.00 -0.52 0.00 0.00 55.73 55.45 3gpw s ARG 143 Cb -0.31 0.07 -0.11 0.00 0.52 0.00 0.00 34.95 35.13 3gpw s ARG 143 CO 0.40 -0.03 0.95 -1.21 0.02 0.00 0.00 175.30 175.44 3gpw s GLU 144 N -0.29 4.34 -1.00 3.54 2.02 -1.26 -4.03 118.70 122.02 3gpw s GLU 144 Ca -0.03 1.21 -0.01 0.00 0.02 0.00 0.00 54.97 56.15 3gpw s GLU 144 Cb -0.02 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.81 3gpw s GLU 144 CO 0.00 0.06 0.16 0.09 0.02 0.00 0.00 175.26 175.59 3gpw n ASN 145 N -0.23 -4.07 -4.76 -0.19 5.03 -1.26 -4.96 115.26 104.82 3gpw n ASN 145 Ca 0.05 -0.08 -0.30 0.00 0.87 0.00 0.00 54.58 55.12 3gpw n ASN 145 Cb 0.53 -3.13 0.10 0.00 -1.02 0.00 0.00 39.78 36.26 3gpw n ASN 145 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3gpw s MET 146 N -4.88 1.93 0.70 3.52 -1.94 -1.26 -4.23 119.30 113.14 3gpw s MET 146 Ca 0.08 0.92 -0.10 0.00 -1.71 0.00 0.00 55.69 54.88 3gpw s MET 146 Cb -0.03 -1.88 0.03 0.00 2.01 0.00 0.00 34.83 34.96 3gpw s MET 146 CO 0.10 -1.80 1.06 -1.54 -0.01 0.00 0.00 175.02 172.82 3gpw s SER 147 N -3.54 5.18 0.22 3.03 1.04 -1.26 -1.71 113.70 116.67 3gpw s SER 147 Ca 0.62 0.87 -0.07 0.00 0.48 0.00 0.00 55.95 57.84 3gpw s SER 147 Cb -0.17 -1.62 0.31 0.00 0.10 0.00 0.00 66.02 64.64 3gpw s SER 147 CO 0.56 -1.44 1.80 0.50 0.98 0.00 0.00 173.24 175.64 3gpw h LYS 148 N -0.63 0.68 -0.50 4.02 3.64 -1.99 -0.07 116.57 121.72 3gpw h LYS 148 Ca -0.45 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 3gpw h LYS 148 Cb 1.28 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3gpw h LYS 148 CO 0.63 0.45 0.09 0.93 -2.27 0.00 0.00 179.45 179.28 3gpw h GLU 149 N 0.70 0.83 -0.48 1.90 5.08 -1.99 -1.00 114.58 119.61 3gpw h GLU 149 Ca 0.34 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3gpw h GLU 149 Cb 0.28 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3gpw h GLU 149 CO -0.22 0.82 0.16 0.93 -1.00 0.00 0.00 179.01 179.70 3gpw h GLU 150 N 0.71 0.75 -0.47 2.33 5.08 -1.79 -1.68 114.58 119.50 3gpw h GLU 150 Ca 0.15 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3gpw h GLU 150 Cb 0.39 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3gpw h GLU 150 CO 0.01 0.70 0.20 1.15 -1.00 0.00 0.00 179.01 180.06 3gpw h THR 151 N 0.65 1.20 -0.81 1.13 2.02 -0.86 0.73 112.91 116.97 3gpw h THR 151 Ca 0.16 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.74 3gpw h THR 151 Cb 0.25 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 3gpw h THR 151 CO -0.01 0.23 0.54 0.58 0.37 0.00 0.00 175.52 177.23 3gpw h VAL 152 N 0.62 1.18 -0.40 3.16 2.07 -1.06 -1.46 116.25 120.36 3gpw h VAL 152 Ca 0.16 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3gpw h VAL 152 Cb 0.17 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3gpw h VAL 152 CO -0.01 0.19 0.03 0.44 0.02 0.00 0.00 177.57 178.24 3gpw h ASP 153 N 1.07 0.66 0.05 0.57 3.45 -0.53 -0.01 116.42 121.68 3gpw h ASP 153 Ca 0.31 -0.29 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3gpw h ASP 153 Cb -0.07 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 3gpw h ASP 153 CO -0.07 0.78 -0.07 0.15 -1.57 0.00 0.00 179.24 178.46 3gpw h PHE 154 N 0.52 -0.17 -0.22 4.55 3.57 -0.40 -0.57 116.94 124.22 3gpw h PHE 154 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3gpw h PHE 154 Cb 0.43 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 3gpw h PHE 154 CO 0.03 -0.10 0.14 0.82 -2.23 0.00 0.00 178.31 176.97 3gpw h ILE 155 N -0.14 1.07 -0.49 1.41 5.03 -1.19 -0.02 117.51 123.17 3gpw h ILE 155 Ca 0.01 -0.15 0.04 0.00 -0.12 0.00 0.00 64.86 64.64 3gpw h ILE 155 Cb 0.15 0.78 -0.04 0.00 -3.03 0.00 0.00 36.82 34.68 3gpw h ILE 155 CO -0.03 0.07 0.25 0.50 -0.68 0.00 0.00 178.15 178.26 3gpw h LYS 156 N 0.28 0.47 0.03 2.37 3.64 -0.78 -0.47 116.57 122.10 3gpw h LYS 156 Ca 0.08 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3gpw h LYS 156 Cb -0.01 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3gpw h LYS 156 CO -0.02 0.31 -0.01 0.45 -2.27 0.00 0.00 179.45 177.91 3gpw h HIS 157 N 0.48 -0.03 -0.17 1.91 3.86 -0.90 -1.99 115.15 118.31 3gpw h HIS 157 Ca 0.21 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.48 3gpw h HIS 157 Cb 0.12 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.54 3gpw h HIS 157 CO -0.10 0.42 -0.28 0.77 0.86 0.00 0.00 177.93 179.60 3gpw h SER 158 N -0.50 -0.89 -0.69 2.45 0.02 -0.87 -2.00 113.55 111.08 3gpw h SER 158 Ca -0.00 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3gpw h SER 158 Cb 0.47 0.39 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 3gpw h SER 158 CO 0.01 -0.32 0.22 -0.07 -1.14 0.00 0.00 176.83 175.52 3gpw h LEU 159 N -0.33 1.00 -1.82 5.07 3.38 -1.16 -1.32 115.31 120.14 3gpw h LEU 159 Ca 0.11 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3gpw h LEU 159 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3gpw h LEU 159 CO -0.36 0.94 0.18 0.77 0.09 0.00 0.00 178.44 180.06 3gpw h SER 160 N 1.01 0.21 -0.08 -0.43 4.64 -0.96 0.62 113.55 118.56 3gpw h SER 160 Ca 0.22 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 3gpw h SER 160 Cb 0.30 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3gpw h SER 160 CO -0.01 0.15 -0.22 1.56 -0.87 0.00 0.00 176.83 177.44 3gpw h GLN 161 N 0.24 0.29 -0.56 4.77 1.08 -0.73 -0.78 115.11 119.43 3gpw h GLN 161 Ca 0.11 -0.21 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 3gpw h GLN 161 Cb 0.14 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 3gpw h GLN 161 CO -0.02 0.82 0.33 0.00 -0.95 0.00 0.00 178.83 179.01 3gpw h ALA 162 N 0.47 0.72 -0.35 3.87 0.00 -0.11 -1.11 119.26 122.76 3gpw h ALA 162 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3gpw h ALA 162 Cb 0.84 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3gpw h ALA 162 CO 0.05 0.03 0.06 0.82 0.00 0.00 0.00 179.25 180.21 3gpw h ILE 163 N 0.64 1.17 -0.14 0.00 2.04 0.25 -0.92 117.51 120.56 3gpw h ILE 163 Ca 0.23 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3gpw h ILE 163 Cb 0.05 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3gpw h ILE 163 CO -0.11 0.23 0.06 0.50 0.00 0.00 0.00 178.15 178.82 3gpw h LYS 164 N 0.50 0.21 0.00 2.37 3.64 0.11 -3.30 116.57 120.11 3gpw h LYS 164 Ca 0.12 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.21 3gpw h LYS 164 Cb 0.23 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3gpw h LYS 164 CO 0.00 0.29 -1.43 -1.49 -2.27 0.00 0.00 179.45 174.56 3gpw h TRP 165 N 0.08 0.00 -3.61 1.91 4.06 -1.30 -3.45 115.95 113.64 3gpw h TRP 165 Ca 0.05 0.00 -0.66 0.00 2.06 0.00 0.00 58.89 60.34 3gpw h TRP 165 Cb 0.16 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 28.16 3gpw h TRP 165 CO -0.02 0.92 -0.12 0.34 -3.56 0.00 0.00 178.44 176.01 3gpw s ASP 166 N -6.23 6.27 0.53 -3.49 2.15 -0.36 -4.93 116.67 110.62 3gpw s ASP 166 Ca -0.03 -0.16 0.35 0.00 0.43 0.00 0.00 52.55 53.15 3gpw s ASP 166 Cb 0.09 -2.25 1.68 0.00 -0.30 0.00 0.00 42.92 42.13 3gpw s ASP 166 CO 0.82 -0.47 2.05 1.23 -0.17 0.00 0.00 175.17 178.63 3gpw h GLY 167 N 9.03 0.00 -0.35 2.66 0.00 -1.88 -1.43 103.07 111.10 3gpw h GLY 167 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3gpw h GLY 167 CO 0.76 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.74 3gpw n SER 168 N -2.88 0.87 -4.20 0.19 7.64 -1.26 -4.83 113.62 109.15 3gpw n SER 168 Ca -0.01 -1.76 -0.18 0.00 1.01 0.00 0.00 58.87 57.93 3gpw n SER 168 Cb 0.18 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.19 3gpw n SER 168 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gpw s SER 169 N -1.31 1.80 0.00 6.43 0.01 -0.54 -0.73 113.70 119.37 3gpw s SER 169 Ca 0.22 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3gpw s SER 169 Cb 0.11 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.28 3gpw s SER 169 CO 0.17 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.33 3gpw n GLY 170 N 1.03 -1.16 6.43 3.44 0.00 -1.26 -4.84 105.19 108.83 3gpw n GLY 170 Ca -0.19 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3gpw n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpw n GLY 171 N 0.00 0.69 3.82 -0.02 0.00 -1.26 -1.48 105.19 106.94 3gpw n GLY 171 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 3gpw n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 172 N 0.00 2.96 -0.23 1.61 -7.23 -1.26 -4.32 120.40 111.92 3gpw s VAL 172 Ca 0.00 -1.47 -0.07 0.00 -1.81 0.00 0.00 61.98 58.62 3gpw s VAL 172 Cb 0.00 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 3gpw s VAL 172 CO 0.00 -0.09 0.06 -0.63 -0.31 0.00 0.00 175.10 174.13 3gpw s ILE 173 N -2.43 4.38 0.02 -0.62 1.01 -0.14 -2.68 121.20 120.73 3gpw s ILE 173 Ca 0.43 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.93 3gpw s ILE 173 Cb -0.03 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3gpw s ILE 173 CO 0.26 0.36 0.07 -0.13 0.00 0.00 0.00 174.94 175.50 3gpw s ARG 174 N 1.36 2.97 0.02 2.79 0.52 -0.20 -0.49 118.95 125.93 3gpw s ARG 174 Ca 0.05 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.70 3gpw s ARG 174 Cb -0.15 -2.79 -0.02 0.00 0.52 0.00 0.00 34.95 32.51 3gpw s ARG 174 CO 0.03 0.62 -0.02 -1.64 0.02 0.00 0.00 175.30 174.32 3gpw s MET 175 N -1.85 0.36 -0.08 3.54 -1.94 0.60 -1.38 119.30 118.55 3gpw s MET 175 Ca 0.24 -0.68 -0.00 0.00 -1.71 0.00 0.00 55.69 53.54 3gpw s MET 175 Cb -0.12 0.13 0.02 0.00 2.01 0.00 0.00 34.83 36.87 3gpw s MET 175 CO 0.15 -0.06 -0.04 0.08 -0.01 0.00 0.00 175.02 175.14 3gpw s VAL 176 N -1.78 0.68 -0.23 -6.03 1.01 0.16 -0.81 120.40 113.40 3gpw s VAL 176 Ca -0.13 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3gpw s VAL 176 Cb -0.08 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3gpw s VAL 176 CO -0.02 0.30 0.19 -0.69 0.00 0.00 0.00 175.10 174.88 3gpw s VAL 177 N 1.62 5.34 -0.32 2.92 1.01 0.62 -0.74 120.40 130.85 3gpw s VAL 177 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3gpw s VAL 177 Cb -0.13 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.79 3gpw s VAL 177 CO -0.05 0.34 0.01 -0.76 0.00 0.00 0.00 175.10 174.65 3gpw s LEU 178 N 1.05 4.17 0.31 3.92 1.02 -0.26 -1.61 118.68 127.28 3gpw s LEU 178 Ca 0.09 -1.60 0.04 0.00 0.02 0.00 0.00 54.13 52.69 3gpw s LEU 178 Cb -0.13 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 3gpw s LEU 178 CO 0.05 -0.31 0.21 0.42 0.02 0.00 0.00 176.35 176.73 3gpw s THR 179 N 1.13 0.15 0.49 5.49 -4.23 -1.02 -1.82 115.64 115.83 3gpw s THR 179 Ca -0.01 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.67 3gpw s THR 179 Cb -0.20 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.39 3gpw s THR 179 CO -0.04 0.00 2.09 0.00 -0.54 0.00 0.00 174.62 176.13 3gpw h ALA 180 N 2.20 1.81 0.00 3.99 0.00 -1.94 -1.53 119.26 123.79 3gpw h ALA 180 Ca -0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3gpw h ALA 180 Cb 1.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gpw h ALA 180 CO 0.46 0.10 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 3gpw h ALA 181 N 1.92 1.04 0.00 0.00 0.00 -1.96 -3.49 119.26 116.78 3gpw h ALA 181 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gpw h ALA 181 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3gpw h ALA 181 CO 0.01 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3gpw n GLY 183 N -0.34 0.72 3.06 0.00 0.00 -0.58 -5.06 105.19 102.99 3gpw n GLY 183 Ca -0.01 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 3gpw n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 184 N -3.74 1.71 -0.07 1.61 1.01 -1.26 -2.42 120.40 117.24 3gpw s VAL 184 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3gpw s VAL 184 Cb 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3gpw s VAL 184 CO 0.00 0.48 -0.18 -0.70 0.00 0.00 0.00 175.10 174.70 3gpw s GLU 185 N 1.35 2.73 -0.20 2.72 2.12 -0.63 -4.96 118.70 121.83 3gpw s GLU 185 Ca 0.03 -0.78 -0.09 0.00 0.36 0.00 0.00 54.97 54.50 3gpw s GLU 185 Cb -0.13 -2.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 3gpw s GLU 185 CO -0.10 0.43 0.10 1.03 -0.54 0.00 0.00 175.26 176.18 3gpw s ARG 186 N -0.25 4.05 0.07 4.30 1.81 -1.26 -0.28 118.95 127.39 3gpw s ARG 186 Ca 0.00 -0.29 0.08 0.00 -1.72 0.00 0.00 55.73 53.79 3gpw s ARG 186 Cb -0.13 -3.34 -0.03 0.00 -0.45 0.00 0.00 34.95 31.00 3gpw s ARG 186 CO 0.03 0.23 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.17 3gpw s LEU 187 N 0.52 2.22 0.01 2.53 1.43 0.01 -4.99 118.68 120.41 3gpw s LEU 187 Ca 0.06 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3gpw s LEU 187 Cb -0.12 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 3gpw s LEU 187 CO 0.00 0.11 -0.01 -0.51 0.23 0.00 0.00 176.35 176.18 3gpw s ILE 18 N -0.95 0.03 -0.05 -0.59 2.07 -1.26 -0.29 121.20 120.17 3gpw s ILE 18 Ca 0.07 -0.27 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 3gpw s ILE 18 Cb -0.09 -0.08 0.02 0.00 0.13 0.00 0.00 42.46 42.44 3gpw s ILE 18 CO 0.03 -0.15 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.51 3gpw s PHE 18 N -0.43 0.80 0.49 3.50 0.08 0.36 -4.97 117.98 117.81 3gpw s PHE 18 Ca -0.05 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 56.73 3gpw s PHE 18 Cb -0.03 -0.72 -0.02 0.00 -0.57 0.00 0.00 43.02 41.68 3gpw s PHE 18 CO -0.00 -0.22 0.77 0.71 -0.10 0.00 0.00 175.22 176.37 3gpw s TYR 18 N 1.05 3.41 0.15 0.36 2.02 -1.26 -0.97 117.35 122.10 3gpw s TYR 18 Ca -0.09 0.60 -0.29 0.00 -0.37 0.00 0.00 57.07 56.92 3gpw s TYR 18 Cb -0.14 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3gpw s TYR 18 CO -0.01 -0.39 1.56 -1.35 -1.57 0.00 0.00 175.55 173.79 3gpw h PRO 18 N 0.21 -0.32 0.00 -1.71 0.11 -1.98 -0.62 132.00 127.69 3gpw h PRO 18 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gpw h PRO 18 Cb 1.23 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3gpw h PRO 18 CO 0.60 -0.21 0.46 -0.44 -0.21 0.00 0.00 178.00 178.20 3gpw h ASP 18 N -0.33 0.00 0.00 -2.05 3.32 -1.96 -1.30 116.42 114.10 3gpw h ASP 18 Ca 0.12 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3gpw h ASP 18 Cb 0.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3gpw h ASP 18 CO -0.62 0.00 -0.93 1.21 -1.72 0.00 0.00 179.24 177.19 3gpw n GLU 18 N -2.68 0.50 0.19 3.56 2.13 -0.27 -4.57 120.64 119.51 3gpw n GLU 18 Ca -0.01 0.41 0.14 0.00 0.66 0.00 0.00 57.16 58.35 3gpw n GLU 18 Cb 0.49 -1.60 0.44 0.00 0.27 0.00 0.00 31.44 31.04 3gpw n GLU 18 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 3gpw h TYR 18 N -1.00 0.00 -0.12 4.31 -0.00 -1.26 -3.27 116.97 115.64 3gpw h TYR 18 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.50 3gpw h TYR 18 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.57 3gpw h TYR 18 CO -0.24 0.00 -0.49 0.93 -0.00 0.00 0.00 178.16 178.36 3gpw h GLU 18 N 0.00 0.30 -0.83 0.10 5.08 -1.49 -3.13 114.58 114.61 3gpw h GLU 18 Ca 0.00 -0.17 -0.24 0.00 -1.00 0.00 0.00 59.36 57.95 3gpw h GLU 18 Cb 0.66 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.78 3gpw h GLU 18 CO 0.00 0.73 0.30 0.94 -1.00 0.00 0.00 179.01 179.98 3gpw n GLN 18 N -3.96 3.17 0.00 2.33 -0.06 -1.23 -5.11 117.38 112.51 3gpw n GLN 18 Ca -0.02 -2.66 0.15 0.00 -2.00 0.00 0.00 57.00 52.47 3gpw n GLN 18 Cb 0.54 -2.09 0.77 0.00 -4.06 0.00 0.00 30.24 25.41 3gpw n GLN 18 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14