#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw s THR 2 N 0.00 0.49 -0.00 12.58 2.01 -1.26 0.31 115.64 129.76 3gpw s THR 2 Ca 0.00 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.05 3gpw s THR 2 Cb 0.00 -0.61 -0.00 0.00 0.01 0.00 0.00 72.50 71.90 3gpw s THR 2 CO 0.00 0.27 -0.05 0.27 -0.69 0.00 0.00 174.62 174.42 3gpw s ILE 3 N 1.79 0.37 0.09 1.82 -4.36 -0.94 -1.88 121.20 118.09 3gpw s ILE 3 Ca 0.03 -0.23 -0.01 0.00 -0.26 0.00 0.00 60.65 60.19 3gpw s ILE 3 Cb -0.13 -0.32 -0.04 0.00 1.25 0.00 0.00 42.46 43.23 3gpw s ILE 3 CO -0.05 0.09 0.00 0.68 0.24 0.00 0.00 174.94 175.90 3gpw s VAL 4 N -0.15 0.23 -0.00 8.37 -7.23 -0.52 -1.09 120.40 120.00 3gpw s VAL 4 Ca 0.01 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 3gpw s VAL 4 Cb -0.02 -1.78 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 3gpw s VAL 4 CO -0.00 -0.74 -0.03 -0.83 -0.31 0.00 0.00 175.10 173.19 3gpw s GLY 5 N -2.99 0.13 -0.09 2.32 0.00 0.22 -1.40 107.32 105.50 3gpw s GLY 5 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.72 3gpw s GLY 5 CO -0.04 -0.09 0.19 0.14 0.00 0.00 0.00 173.10 173.30 3gpw s VAL 6 N -0.06 -0.24 0.35 1.40 1.01 0.64 -1.37 120.40 122.12 3gpw s VAL 6 Ca 0.01 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 3gpw s VAL 6 Cb -0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.94 3gpw s VAL 6 CO -0.00 0.12 0.86 -0.54 0.00 0.00 0.00 175.10 175.54 3gpw s LYS 7 N 2.00 4.25 0.11 2.72 -0.14 0.49 -1.04 119.74 128.13 3gpw s LYS 7 Ca -0.01 1.01 0.02 0.00 -1.36 0.00 0.00 55.97 55.63 3gpw s LYS 7 Cb -0.12 -2.46 -0.04 0.00 -1.68 0.00 0.00 37.83 33.53 3gpw s LYS 7 CO -0.07 0.14 -0.06 -0.59 -0.76 0.00 0.00 175.35 174.01 3gpw s PHE 8 N -1.93 0.98 0.29 3.18 -0.12 -0.35 -4.72 117.98 115.31 3gpw s PHE 8 Ca 0.55 -0.92 0.23 0.00 -0.05 0.00 0.00 56.93 56.74 3gpw s PHE 8 Cb -0.12 -0.56 0.94 0.00 -0.63 0.00 0.00 43.02 42.65 3gpw s PHE 8 CO 0.17 -0.14 0.94 0.27 -0.05 0.00 0.00 175.22 176.41 3gpw n ASN 9 N -0.09 0.09 -1.35 1.98 0.23 0.17 -1.44 115.26 114.85 3gpw n ASN 9 Ca -0.11 0.76 0.04 0.00 -0.53 0.00 0.00 54.58 54.73 3gpw n ASN 9 Cb 0.61 -0.37 0.07 0.00 -2.08 0.00 0.00 39.78 38.01 3gpw n ASN 9 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3gpw n ASN 10 N -3.65 1.34 0.00 0.53 5.15 -1.26 -5.08 115.26 112.28 3gpw n ASN 10 Ca 0.25 -2.57 0.00 0.00 -0.60 0.00 0.00 54.58 51.66 3gpw n ASN 10 Cb 1.02 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 3gpw n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gpw n GLY 11 N -0.05 -0.52 3.10 8.20 0.00 -0.52 -0.91 105.19 114.49 3gpw n GLY 11 Ca 0.11 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.05 0.10 -0.02 1.61 0.11 -0.30 -1.21 120.40 117.64 3gpw s VAL 12 Ca 0.00 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 3gpw s VAL 12 Cb 0.00 -0.55 -0.00 0.00 -1.53 0.00 0.00 36.38 34.30 3gpw s VAL 12 CO 0.00 -0.46 -0.09 0.54 -3.33 0.00 0.00 175.10 171.76 3gpw s VAL 13 N -1.76 0.73 0.08 2.04 0.11 -0.20 -0.82 120.40 120.57 3gpw s VAL 13 Ca -0.12 -0.36 0.07 0.00 -2.93 0.00 0.00 61.98 58.64 3gpw s VAL 13 Cb -0.06 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 3gpw s VAL 13 CO -0.01 0.22 -0.18 0.27 -3.33 0.00 0.00 175.10 172.07 3gpw s ILE 14 N -0.00 1.47 0.17 7.04 -4.36 -0.66 -0.26 121.20 124.59 3gpw s ILE 14 Ca 0.00 -1.38 -0.08 0.00 -0.26 0.00 0.00 60.65 58.94 3gpw s ILE 14 Cb -0.06 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 42.29 3gpw s ILE 14 CO -0.00 -0.07 0.27 0.00 0.24 0.00 0.00 174.94 175.37 3gpw s ALA 15 N -1.12 0.18 0.12 2.27 0.00 -0.49 -0.96 121.76 121.76 3gpw s ALA 15 Ca 0.04 -1.03 -0.24 0.00 0.00 0.00 0.00 51.96 50.72 3gpw s ALA 15 Cb -0.10 0.94 0.08 0.00 0.00 0.00 0.00 23.12 24.04 3gpw s ALA 15 CO 0.03 -0.65 0.65 0.00 0.00 0.00 0.00 175.76 175.80 3gpw s ALA 16 N -4.00 -1.65 0.92 0.00 0.00 -0.38 -1.44 121.76 115.21 3gpw s ALA 16 Ca 0.21 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 3gpw s ALA 16 Cb 0.04 0.75 0.18 0.00 0.00 0.00 0.00 23.12 24.08 3gpw s ALA 16 CO 0.02 -0.73 1.28 0.16 0.00 0.00 0.00 175.76 176.49 3gpw s ASP 17 N -2.60 3.42 -0.15 0.00 -4.77 -0.79 -0.87 116.67 110.91 3gpw s ASP 17 Ca 0.01 0.30 0.17 0.00 -3.30 0.00 0.00 52.55 49.73 3gpw s ASP 17 Cb -0.01 -0.44 0.33 0.00 -1.09 0.00 0.00 42.92 41.72 3gpw s ASP 17 CO -0.11 -2.54 1.19 0.35 0.70 0.00 0.00 175.17 174.76 3gpw n THR 18 N -3.63 1.99 -3.38 2.11 -2.24 -0.84 -4.58 114.28 103.71 3gpw n THR 18 Ca 0.14 -2.42 -0.38 0.00 -2.27 0.00 0.00 64.05 59.12 3gpw n THR 18 Cb 0.60 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 3gpw n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gpw s ARG 19 N -2.95 4.10 -0.10 -0.78 3.52 -1.20 -1.22 118.95 120.32 3gpw s ARG 19 Ca 0.34 0.53 0.02 0.00 -0.13 0.00 0.00 55.73 56.49 3gpw s ARG 19 Cb 0.30 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 30.43 3gpw s ARG 19 CO 0.02 0.56 -0.16 0.45 -0.81 0.00 0.00 175.30 175.36 3gpw s SER 20 N -0.74 2.40 0.11 -2.12 0.15 -0.19 -4.84 113.70 108.47 3gpw s SER 20 Ca 0.26 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.55 3gpw s SER 20 Cb -0.17 -1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.02 3gpw s SER 20 CO 0.15 0.03 -0.15 0.42 1.20 0.00 0.00 173.24 174.89 3gpw s THR 21 N 0.86 1.31 -0.32 6.45 -4.23 -1.26 -0.17 115.64 118.27 3gpw s THR 21 Ca -0.09 -1.59 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 3gpw s THR 21 Cb -0.15 -1.41 0.09 0.00 1.34 0.00 0.00 72.50 72.37 3gpw s THR 21 CO 0.00 -0.33 0.02 -1.10 -0.54 0.00 0.00 174.62 172.68 3gpw s GLN 22 N -2.34 1.56 7.63 3.99 -0.21 0.75 -4.86 119.66 126.18 3gpw s GLN 22 Ca 0.06 -1.70 0.00 0.00 0.02 0.00 0.00 55.36 53.74 3gpw s GLN 22 Cb -0.07 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 30.90 3gpw s GLN 22 CO 0.03 -0.87 0.00 0.41 -2.12 0.00 0.00 175.29 172.74 3gpw n GLY 23 N 4.34 3.21 0.58 3.09 0.00 -1.26 -1.25 105.19 113.90 3gpw n GLY 23 Ca -0.00 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3gpw n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gpw n PRO 24 N 13.78 1.77 -3.61 1.61 -0.04 -1.26 -4.88 135.00 142.37 3gpw n PRO 24 Ca 0.00 -1.15 -0.37 0.00 -0.04 0.00 0.00 63.50 61.95 3gpw n PRO 24 Cb 0.00 -1.42 -0.07 0.00 -0.04 0.00 0.00 33.50 31.97 3gpw n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gpw s ILE 25 N -1.82 5.29 -0.48 0.52 1.09 -0.38 -5.04 121.20 120.37 3gpw s ILE 25 Ca 0.34 0.53 -0.26 0.00 -1.10 0.00 0.00 60.65 60.15 3gpw s ILE 25 Cb 0.18 -3.59 0.03 0.00 -1.06 0.00 0.00 42.46 38.02 3gpw s ILE 25 CO 0.28 0.48 0.99 -0.69 -0.10 0.00 0.00 174.94 175.90 3gpw s VAL 26 N -0.19 4.37 -0.12 2.92 1.01 -1.26 -0.17 120.40 126.96 3gpw s VAL 26 Ca 0.17 0.80 -0.27 0.00 0.00 0.00 0.00 61.98 62.68 3gpw s VAL 26 Cb -0.13 -4.51 -0.27 0.00 0.00 0.00 0.00 36.38 31.47 3gpw s VAL 26 CO 0.06 -0.94 0.82 0.00 0.00 0.00 0.00 175.10 175.03 3gpw h ALA 27 N 9.18 -0.02 -3.18 5.51 0.00 -0.90 -3.45 119.26 126.40 3gpw h ALA 27 Ca -0.24 -0.53 -0.60 0.00 0.00 0.00 0.00 54.91 53.54 3gpw h ALA 27 Cb 1.07 0.02 -0.35 0.00 0.00 0.00 0.00 17.79 18.53 3gpw h ALA 27 CO 1.07 0.07 -0.83 0.34 0.00 0.00 0.00 179.25 179.89 3gpw s ASP 28 N -6.36 2.59 0.00 0.00 3.68 -1.08 -4.99 116.67 110.51 3gpw s ASP 28 Ca -0.18 -0.46 0.28 0.00 2.13 0.00 0.00 52.55 54.32 3gpw s ASP 28 Cb -0.02 -1.15 1.08 0.00 -1.45 0.00 0.00 42.92 41.38 3gpw s ASP 28 CO 0.72 -0.02 1.77 0.29 0.13 0.00 0.00 175.17 178.06 3gpw n LYS 29 N 4.51 0.54 -2.80 4.34 5.02 -1.26 -1.02 118.16 127.49 3gpw n LYS 29 Ca -0.18 -0.21 -0.10 0.00 -2.02 0.00 0.00 58.31 55.80 3gpw n LYS 29 Cb 0.51 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.07 3gpw n LYS 29 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3gpw n ASN 30 N -1.05 -0.28 -4.72 4.39 4.05 -1.07 -4.55 115.26 112.03 3gpw n ASN 30 Ca 0.12 -2.88 -0.29 0.00 0.45 0.00 0.00 54.58 51.98 3gpw n ASN 30 Cb 0.30 0.31 0.13 0.00 1.23 0.00 0.00 39.78 41.76 3gpw n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3gpw s ALA 32 N -3.38 2.52 -2.09 0.00 0.00 -1.26 -4.60 121.76 112.95 3gpw s ALA 32 Ca 0.64 -1.46 0.24 0.00 0.00 0.00 0.00 51.96 51.39 3gpw s ALA 32 Cb -0.13 -1.47 0.36 0.00 0.00 0.00 0.00 23.12 21.89 3gpw s ALA 32 CO 0.52 -0.75 1.33 1.63 0.00 0.00 0.00 175.76 178.49 3gpw n LYS 33 N 4.58 1.25 -3.37 0.00 5.02 -1.26 -4.82 118.16 119.56 3gpw n LYS 33 Ca -0.17 -0.93 -0.42 0.00 -2.02 0.00 0.00 58.31 54.76 3gpw n LYS 33 Cb 0.47 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.39 4.69 0.29 -0.35 1.02 -1.26 -1.51 118.68 119.17 3gpw s LEU 34 Ca 0.23 -0.50 0.10 0.00 0.02 0.00 0.00 54.13 53.99 3gpw s LEU 34 Cb 0.19 -2.34 -0.05 0.00 0.02 0.00 0.00 46.19 44.01 3gpw s LEU 34 CO 0.50 -0.46 -0.04 -1.00 0.02 0.00 0.00 176.35 175.38 3gpw s HIS 35 N 2.04 2.57 -0.10 0.29 3.76 0.39 -4.95 115.29 119.29 3gpw s HIS 35 Ca 0.11 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 54.68 3gpw s HIS 35 Cb -0.17 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 3gpw s HIS 35 CO 0.12 0.60 0.05 0.50 -0.85 0.00 0.00 174.74 175.16 3gpw s ARG 36 N -3.65 3.19 -0.24 1.40 3.52 -1.26 0.45 118.95 122.36 3gpw s ARG 36 Ca 0.32 -0.32 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 3gpw s ARG 36 Cb -0.04 -2.94 -0.17 0.00 -1.56 0.00 0.00 34.95 30.23 3gpw s ARG 36 CO 0.19 0.70 -0.18 -0.89 -0.81 0.00 0.00 175.30 174.31 3gpw n ILE 37 N 2.18 1.42 -3.90 4.11 5.41 0.91 -4.84 119.36 124.64 3gpw n ILE 37 Ca -0.19 -0.59 -0.09 0.00 1.00 0.00 0.00 62.75 62.88 3gpw n ILE 37 Cb 0.54 -1.25 -0.05 0.00 -0.71 0.00 0.00 39.64 38.17 3gpw n ILE 37 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3gpw s SER 38 N -6.27 -0.14 0.31 4.38 1.04 -1.10 -4.46 113.70 107.47 3gpw s SER 38 Ca -0.30 -0.76 0.05 0.00 0.48 0.00 0.00 55.95 55.42 3gpw s SER 38 Cb 0.08 0.57 0.83 0.00 0.10 0.00 0.00 66.02 67.60 3gpw s SER 38 CO 0.61 -1.09 1.60 -0.65 0.98 0.00 0.00 173.24 174.69 3gpw h PRO 39 N 2.26 0.07 -0.25 4.02 0.11 -2.00 -2.09 132.00 134.12 3gpw h PRO 39 Ca -0.27 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 3gpw h PRO 39 Cb 1.25 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 3gpw h PRO 39 CO 0.37 0.05 -0.10 1.63 -0.21 0.00 0.00 178.00 179.74 3gpw n LYS 40 N -5.36 2.01 -3.75 1.05 5.02 -1.26 -4.63 118.16 111.24 3gpw n LYS 40 Ca 0.25 -3.05 -0.29 0.00 -2.02 0.00 0.00 58.31 53.20 3gpw n LYS 40 Cb 0.81 -1.77 -0.16 0.00 -0.02 0.00 0.00 35.03 33.90 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 -3.10 0.69 0.17 -0.18 1.01 -0.79 -1.54 121.20 117.47 3gpw s ILE 41 Ca 0.42 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.28 3gpw s ILE 41 Cb 0.37 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 3gpw s ILE 41 CO 0.02 -0.35 -0.04 0.26 0.00 0.00 0.00 174.94 174.83 3gpw s TRP 42 N 1.76 2.77 0.08 3.97 0.52 -0.42 -0.06 118.94 127.56 3gpw s TRP 42 Ca 0.02 -0.16 0.10 0.00 0.02 0.00 0.00 56.10 56.07 3gpw s TRP 42 Cb -0.17 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.76 3gpw s TRP 42 CO -0.14 0.51 -0.25 0.00 0.02 0.00 0.00 176.95 177.09 3gpw s ALA 44 N -0.94 2.26 0.06 0.00 0.00 -0.32 -0.46 121.76 122.36 3gpw s ALA 44 Ca 0.12 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.11 3gpw s ALA 44 Cb -0.10 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3gpw s ALA 44 CO 0.04 0.11 -0.13 0.20 0.00 0.00 0.00 175.76 175.98 3gpw s GLY 45 N 0.60 1.70 0.03 0.00 0.00 -0.57 -1.28 107.32 107.80 3gpw s GLY 45 Ca -0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.39 3gpw s GLY 45 CO 0.03 -1.10 0.04 0.00 0.00 0.00 0.00 173.10 172.07 3gpw s ALA 46 N -1.05 0.09 0.00 3.20 0.00 0.51 -4.92 121.76 119.58 3gpw s ALA 46 Ca 0.18 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3gpw s ALA 46 Cb -0.11 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3gpw s ALA 46 CO 0.09 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3gpw n GLY 47 N 0.94 0.79 3.59 0.00 0.00 -1.26 -1.29 105.19 107.97 3gpw n GLY 47 Ca -0.20 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3gpw n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gpw s THR 48 N 0.00 4.13 0.24 2.61 2.01 0.68 -4.93 115.64 120.38 3gpw s THR 48 Ca 0.00 1.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.99 3gpw s THR 48 Cb 0.00 -4.66 0.28 0.00 0.01 0.00 0.00 72.50 68.13 3gpw s THR 48 CO 0.00 -1.15 1.63 0.00 -0.69 0.00 0.00 174.62 174.41 3gpw h ALA 49 N 9.37 0.70 -0.62 7.40 0.00 -1.90 0.16 119.26 134.36 3gpw h ALA 49 Ca -0.24 0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3gpw h ALA 49 Cb 1.06 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 3gpw h ALA 49 CO 1.15 -0.42 0.41 0.00 0.00 0.00 0.00 179.25 180.39 3gpw h ALA 50 N 1.71 1.69 -0.01 0.00 0.00 -1.96 -1.27 119.26 119.42 3gpw h ALA 50 Ca 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 3gpw h ALA 50 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gpw h ALA 50 CO -0.68 0.24 -0.13 -0.44 0.00 0.00 0.00 179.25 178.23 3gpw h ASP 51 N 0.70 0.13 -0.68 0.00 3.45 -1.08 -0.29 116.42 118.65 3gpw h ASP 51 Ca 0.25 -0.75 0.03 0.00 0.43 0.00 0.00 57.03 57.00 3gpw h ASP 51 Cb 0.11 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.80 3gpw h ASP 51 CO -0.07 0.86 0.42 0.71 -1.57 0.00 0.00 179.24 179.59 3gpw h THR 52 N -0.58 1.08 0.24 0.35 1.35 -1.03 0.03 112.91 114.35 3gpw h THR 52 Ca -0.01 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 3gpw h THR 52 Cb 0.87 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3gpw h THR 52 CO 0.03 0.15 -0.11 -0.08 -0.25 0.00 0.00 175.52 175.25 3gpw h GLU 53 N 0.83 -0.31 -0.54 4.72 4.57 -1.28 -1.61 114.58 120.96 3gpw h GLU 53 Ca 0.28 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 3gpw h GLU 53 Cb 0.03 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3gpw h GLU 53 CO -0.11 -0.15 0.12 0.00 -1.18 0.00 0.00 179.01 177.69 3gpw h ALA 54 N 0.35 1.21 -0.07 2.92 0.00 -0.83 -2.38 119.26 120.46 3gpw h ALA 54 Ca -0.03 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 3gpw h ALA 54 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3gpw h ALA 54 CO 0.05 0.54 -0.70 -0.24 0.00 0.00 0.00 179.25 178.91 3gpw h VAL 55 N 0.80 1.40 -0.16 0.00 3.04 -0.93 -1.74 116.25 118.65 3gpw h VAL 55 Ca 0.17 -2.14 -0.12 0.00 -1.01 0.00 0.00 66.70 63.60 3gpw h VAL 55 Cb 0.30 2.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.69 3gpw h VAL 55 CO -0.00 0.64 -0.44 0.74 -1.01 0.00 0.00 177.57 177.50 3gpw h THR 56 N 0.22 1.32 0.11 3.17 2.02 -1.03 -2.38 112.91 116.34 3gpw h THR 56 Ca -0.02 -1.61 -0.27 0.00 0.77 0.00 0.00 66.41 65.28 3gpw h THR 56 Cb 1.26 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3gpw h THR 56 CO 0.11 0.49 -1.21 1.56 0.37 0.00 0.00 175.52 176.85 3gpw h GLN 57 N 0.31 0.24 0.21 6.66 4.20 -1.34 -1.63 115.11 123.76 3gpw h GLN 57 Ca 0.02 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 3gpw h GLN 57 Cb 0.90 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3gpw h GLN 57 CO 0.07 1.19 -0.10 1.25 -0.67 0.00 0.00 178.83 180.58 3gpw h LEU 58 N 0.07 -0.24 -1.22 1.46 5.85 -1.22 0.19 115.31 120.20 3gpw h LEU 58 Ca -0.12 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 3gpw h LEU 58 Cb 1.94 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 3gpw h LEU 58 CO 0.19 0.07 -0.37 0.40 -0.34 0.00 0.00 178.44 178.39 3gpw h ILE 59 N -0.56 1.27 -0.44 4.05 5.03 -1.55 -1.62 117.51 123.69 3gpw h ILE 59 Ca -0.03 -1.30 -0.07 0.00 -0.12 0.00 0.00 64.86 63.34 3gpw h ILE 59 Cb 0.41 1.69 -0.02 0.00 -3.03 0.00 0.00 36.82 35.87 3gpw h ILE 59 CO 0.05 0.37 0.01 1.23 -0.68 0.00 0.00 178.15 179.13 3gpw h GLY 60 N 1.13 0.84 0.97 5.37 0.00 -1.04 0.45 103.07 110.79 3gpw h GLY 60 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 3gpw h GLY 60 CO 0.05 0.56 0.02 0.23 0.00 0.00 0.00 176.54 177.40 3gpw h SER 61 N 0.62 0.04 -0.03 0.19 0.87 -0.16 -0.69 113.55 114.38 3gpw h SER 61 Ca 0.13 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 3gpw h SER 61 Cb 0.48 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3gpw h SER 61 CO 0.02 0.06 -0.19 0.78 -0.53 0.00 0.00 176.83 176.97 3gpw h ASN 62 N 0.02 0.39 -0.27 6.23 2.35 -1.13 -2.03 115.58 121.15 3gpw h ASN 62 Ca 0.01 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 3gpw h ASN 62 Cb 0.03 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3gpw h ASN 62 CO -0.00 0.60 -0.09 0.40 -1.65 0.00 0.00 177.43 176.68 3gpw h ILE 63 N 0.36 1.24 0.07 2.81 1.08 0.27 0.25 117.51 123.60 3gpw h ILE 63 Ca 0.06 -1.07 -0.00 0.00 -0.39 0.00 0.00 64.86 63.46 3gpw h ILE 63 Cb 0.55 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 3gpw h ILE 63 CO 0.04 0.36 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.74 3gpw h GLU 64 N 0.61 -0.09 -0.85 2.37 4.81 -0.65 -0.89 114.58 119.88 3gpw h GLU 64 Ca 0.11 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 3gpw h GLU 64 Cb 0.52 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 3gpw h GLU 64 CO 0.03 0.19 0.56 -0.07 -0.73 0.00 0.00 179.01 178.99 3gpw h LEU 65 N -0.38 0.84 -0.45 1.64 3.38 -1.14 -0.31 115.31 118.88 3gpw h LEU 65 Ca -0.01 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3gpw h LEU 65 Cb 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3gpw h LEU 65 CO 0.02 0.54 0.05 -0.74 0.09 0.00 0.00 178.44 178.40 3gpw h HIS 66 N 0.95 0.82 -0.01 1.13 2.76 -0.77 -0.92 115.15 119.10 3gpw h HIS 66 Ca 0.37 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3gpw h HIS 66 Cb 0.22 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 3gpw h HIS 66 CO -0.00 0.78 -0.01 1.03 -1.30 0.00 0.00 177.93 178.42 3gpw h SER 67 N 0.62 -0.04 -0.92 3.26 0.87 -0.27 0.44 113.55 117.51 3gpw h SER 67 Ca 0.13 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 3gpw h SER 67 Cb 0.42 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 3gpw h SER 67 CO 0.01 -0.02 0.53 -0.07 -0.53 0.00 0.00 176.83 176.75 3gpw h LEU 68 N -0.02 1.13 -0.41 2.23 4.07 -0.97 0.14 115.31 121.48 3gpw h LEU 68 Ca 0.01 -0.08 -0.17 0.00 0.08 0.00 0.00 57.88 57.72 3gpw h LEU 68 Cb 0.03 -0.29 -0.00 0.00 1.08 0.00 0.00 40.66 41.48 3gpw h LEU 68 CO -0.02 0.89 -0.49 0.22 -1.08 0.00 0.00 178.44 177.96 3gpw h TYR 69 N 1.28 0.98 -0.01 1.13 5.03 -0.83 -3.21 116.97 121.34 3gpw h TYR 69 Ca 0.33 -0.33 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3gpw h TYR 69 Cb -0.01 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.07 3gpw h TYR 69 CO 0.01 1.12 -0.36 0.25 -1.32 0.00 0.00 178.16 177.86 3gpw n THR 70 N -4.01 0.00 -2.83 1.81 -2.24 0.12 -4.95 114.28 102.18 3gpw n THR 70 Ca -0.03 -0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 3gpw n THR 70 Cb 0.59 0.57 0.02 0.00 -2.10 0.00 0.00 70.33 69.40 3gpw n THR 70 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gpw n SER 71 N -0.66 -5.85 -4.29 3.42 7.64 0.47 -4.98 113.62 109.37 3gpw n SER 71 Ca 0.11 -0.19 -0.16 0.00 1.01 0.00 0.00 58.87 59.64 3gpw n SER 71 Cb 0.37 -4.78 -0.10 0.00 -1.01 0.00 0.00 64.21 58.69 3gpw n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3gpw s ARG 72 N -5.50 1.20 0.37 1.43 0.52 -1.09 -5.06 118.95 110.83 3gpw s ARG 72 Ca 0.20 -1.56 -0.26 0.00 -0.52 0.00 0.00 55.73 53.59 3gpw s ARG 72 Cb -0.09 -0.67 -0.09 0.00 0.52 0.00 0.00 34.95 34.62 3gpw s ARG 72 CO 0.25 0.01 1.10 -1.21 0.02 0.00 0.00 175.30 175.47 3gpw s GLU 73 N -3.79 4.26 0.50 3.54 0.41 -1.26 -4.56 118.70 117.80 3gpw s GLU 73 Ca 0.22 1.69 -0.22 0.00 -0.41 0.00 0.00 54.97 56.25 3gpw s GLU 73 Cb 0.04 -2.76 -0.06 0.00 -1.78 0.00 0.00 34.13 29.57 3gpw s GLU 73 CO 0.05 -0.10 1.23 -2.14 -0.49 0.00 0.00 175.26 173.81 3gpw s PRO 74 N -2.15 3.47 -0.04 0.39 0.02 -1.26 -4.85 135.00 130.57 3gpw s PRO 74 Ca 0.54 1.93 0.01 0.00 0.02 0.00 0.00 61.00 63.50 3gpw s PRO 74 Cb -0.27 -2.30 -0.03 0.00 0.02 0.00 0.00 34.50 31.91 3gpw s PRO 74 CO 0.35 -0.84 -0.04 1.03 -0.33 0.00 0.00 177.00 177.17 3gpw s ARG 75 N -2.84 2.76 0.19 5.54 0.52 -1.26 -4.74 118.95 119.12 3gpw s ARG 75 Ca 0.68 -0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 55.20 3gpw s ARG 75 Cb -0.33 -2.63 0.20 0.00 0.52 0.00 0.00 34.95 32.72 3gpw s ARG 75 CO 0.39 0.65 1.74 0.28 0.02 0.00 0.00 175.30 178.38 3gpw h VAL 76 N 3.97 0.81 -0.07 3.52 2.07 -1.91 0.51 116.25 125.14 3gpw h VAL 76 Ca -0.49 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3gpw h VAL 76 Cb 1.18 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3gpw h VAL 76 CO 0.54 0.07 0.11 -0.37 0.02 0.00 0.00 177.57 177.94 3gpw h VAL 77 N 0.36 0.33 -0.02 2.57 -1.51 -1.98 -0.76 116.25 115.24 3gpw h VAL 77 Ca 0.26 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.54 3gpw h VAL 77 Cb 0.29 0.91 0.01 0.00 -2.13 0.00 0.00 31.29 30.37 3gpw h VAL 77 CO -0.27 0.00 -0.73 0.28 -1.23 0.00 0.00 177.57 175.62 3gpw h SER 78 N 0.00 0.68 -0.07 4.19 0.02 -1.31 -1.51 113.55 115.55 3gpw h SER 78 Ca 0.03 -0.73 -0.06 0.00 -0.84 0.00 0.00 61.79 60.19 3gpw h SER 78 Cb 0.25 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3gpw h SER 78 CO -0.00 1.32 -0.13 0.00 -1.14 0.00 0.00 176.83 176.88 3gpw h ALA 79 N 0.38 1.33 -0.37 3.77 0.00 -1.02 -1.44 119.26 121.91 3gpw h ALA 79 Ca -0.09 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3gpw h ALA 79 Cb 1.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3gpw h ALA 79 CO 0.15 0.45 -0.24 1.25 0.00 0.00 0.00 179.25 180.86 3gpw h LEU 80 N 0.37 0.85 -0.36 0.00 5.85 -1.13 -0.36 115.31 120.54 3gpw h LEU 80 Ca 0.07 -0.43 -0.18 0.00 0.84 0.00 0.00 57.88 58.19 3gpw h LEU 80 Cb 0.46 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3gpw h LEU 80 CO 0.03 1.10 -0.52 -0.61 -0.34 0.00 0.00 178.44 178.10 3gpw h GLN 81 N 0.61 0.84 -0.35 1.25 5.75 -1.01 -1.05 115.11 121.16 3gpw h GLN 81 Ca 0.08 -0.51 -0.14 0.00 -0.15 0.00 0.00 58.65 57.92 3gpw h GLN 81 Cb 0.80 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 3gpw h GLN 81 CO 0.07 1.15 -0.36 0.52 -2.65 0.00 0.00 178.83 177.56 3gpw h MET 82 N 0.65 0.81 -0.00 1.69 2.86 -1.24 -2.14 114.93 117.56 3gpw h MET 82 Ca 0.02 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3gpw h MET 82 Cb 1.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 3gpw h MET 82 CO 0.11 1.04 -0.00 -0.07 1.06 0.00 0.00 176.91 179.05 3gpw h LEU 83 N 0.67 0.00 -0.89 1.22 3.38 -1.00 -2.81 115.31 115.89 3gpw h LEU 83 Ca 0.06 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3gpw h LEU 83 Cb 0.91 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3gpw h LEU 83 CO 0.08 0.39 0.16 0.07 0.09 0.00 0.00 178.44 179.23 3gpw h LYS 84 N -0.38 0.97 0.00 1.13 2.10 -1.19 0.26 116.57 119.45 3gpw h LYS 84 Ca 0.00 -0.21 -0.08 0.00 -2.00 0.00 0.00 60.65 58.36 3gpw h LYS 84 Cb 0.39 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 3gpw h LYS 84 CO 0.00 0.86 -0.38 1.96 -2.00 0.00 0.00 179.45 179.89 3gpw h GLN 85 N 0.93 0.00 -0.00 0.07 4.20 -1.46 0.11 115.11 118.96 3gpw h GLN 85 Ca 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 3gpw h GLN 85 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3gpw h GLN 85 CO -0.00 0.38 -0.09 1.25 -0.67 0.00 0.00 178.83 179.70 3gpw h HIS 86 N 0.00 0.09 -0.67 2.96 2.76 -1.17 -2.80 115.15 116.32 3gpw h HIS 86 Ca -0.00 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 3gpw h HIS 86 Cb 0.85 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 3gpw h HIS 86 CO 0.00 0.84 0.24 -0.07 -1.30 0.00 0.00 177.93 177.64 3gpw h LEU 87 N -0.69 0.92 -0.33 0.26 3.38 -0.87 -2.94 115.31 115.05 3gpw h LEU 87 Ca -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3gpw h LEU 87 Cb 0.87 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3gpw h LEU 87 CO 0.02 0.85 0.16 0.15 0.09 0.00 0.00 178.44 179.71 3gpw h PHE 88 N 0.97 0.47 -0.81 1.13 3.57 -0.84 -2.49 116.94 118.95 3gpw h PHE 88 Ca 0.22 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.84 3gpw h PHE 88 Cb 0.23 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 3gpw h PHE 88 CO 0.02 0.40 0.53 -0.22 -2.23 0.00 0.00 178.31 176.81 3gpw h LYS 89 N 0.40 0.52 -0.67 1.11 3.64 -1.34 -0.75 116.57 119.48 3gpw h LYS 89 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3gpw h LYS 89 Cb 0.11 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3gpw h LYS 89 CO -0.02 0.34 0.00 0.66 -2.27 0.00 0.00 179.45 178.17 3gpw n TYR 90 N -4.51 0.97 -4.21 1.91 4.01 -0.95 -4.94 117.16 109.45 3gpw n TYR 90 Ca 0.15 -0.36 -0.37 0.00 -0.16 0.00 0.00 57.90 57.16 3gpw n TYR 90 Cb 0.49 -0.24 -0.07 0.00 -0.31 0.00 0.00 39.34 39.22 3gpw n TYR 90 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3gpw n GLN 91 N 0.43 -0.88 -0.67 -0.72 1.13 -0.29 0.06 117.38 116.43 3gpw n GLN 91 Ca 0.15 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 3gpw n GLN 91 Cb 0.65 -4.39 0.00 0.00 0.11 0.00 0.00 30.24 26.61 3gpw n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gpw n GLY 93 N -0.98 1.25 0.25 1.08 0.00 -1.23 -4.89 105.19 100.67 3gpw n GLY 93 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.28 3gpw n GLY 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3gpw h HIS 94 N 0.00 0.00 -2.95 1.61 3.86 -0.67 -3.35 115.15 113.65 3gpw h HIS 94 Ca 0.00 0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.50 3gpw h HIS 94 Cb 0.00 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 28.27 3gpw h HIS 94 CO 0.00 0.00 0.15 0.42 0.86 0.00 0.00 177.93 179.36 3gpw s ILE 95 N -3.54 4.90 -0.71 2.45 -1.09 -1.26 -4.95 121.20 117.00 3gpw s ILE 95 Ca 0.03 -1.19 -0.07 0.00 -2.23 0.00 0.00 60.65 57.19 3gpw s ILE 95 Cb 0.08 -4.50 -0.06 0.00 -1.58 0.00 0.00 42.46 36.40 3gpw s ILE 95 CO 0.55 -1.13 1.87 0.61 -1.23 0.00 0.00 174.94 175.61 3gpw n GLY 96 N 5.19 2.73 3.44 6.18 0.00 -1.26 -4.70 105.19 116.77 3gpw n GLY 96 Ca -0.06 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 3gpw n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ALA 97 N 3.97 2.98 -0.17 4.61 0.00 -1.26 -0.23 121.76 131.65 3gpw s ALA 97 Ca 0.35 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3gpw s ALA 97 Cb 0.09 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.56 3gpw s ALA 97 CO -0.00 -0.07 -0.09 0.71 0.00 0.00 0.00 175.76 176.31 3gpw s TYR 98 N 0.86 1.99 0.11 0.00 2.02 -0.41 -1.31 117.35 120.61 3gpw s TYR 98 Ca 0.00 -1.23 0.06 0.00 -0.37 0.00 0.00 57.07 55.53 3gpw s TYR 98 Cb -0.14 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 3gpw s TYR 98 CO 0.02 -0.65 -0.15 -0.51 -1.57 0.00 0.00 175.55 172.69 3gpw s LEU 99 N 1.54 2.38 -0.26 -1.29 1.43 -0.52 -0.36 118.68 121.59 3gpw s LEU 99 Ca 0.01 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 3gpw s LEU 99 Cb -0.15 -0.57 0.05 0.00 0.03 0.00 0.00 46.19 45.55 3gpw s LEU 99 CO -0.08 -0.12 -0.08 -0.63 0.23 0.00 0.00 176.35 175.67 3gpw s ILE 100 N -1.93 2.54 -0.18 -0.59 1.01 -0.40 -0.20 121.20 121.45 3gpw s ILE 100 Ca 0.07 -1.36 -0.04 0.00 0.00 0.00 0.00 60.65 59.31 3gpw s ILE 100 Cb -0.06 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 3gpw s ILE 100 CO 0.03 0.06 -0.02 0.54 0.00 0.00 0.00 174.94 175.54 3gpw s VAL 101 N 1.21 3.83 0.33 2.92 0.11 -0.70 -1.17 120.40 126.93 3gpw s VAL 101 Ca -0.05 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.68 3gpw s VAL 101 Cb -0.18 -2.71 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 3gpw s VAL 101 CO -0.05 0.46 0.15 0.00 -3.33 0.00 0.00 175.10 172.33 3gpw s ALA 102 N 0.77 2.22 0.00 1.54 0.00 -0.51 -0.98 121.76 124.80 3gpw s ALA 102 Ca -0.01 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.28 3gpw s ALA 102 Cb -0.14 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.00 3gpw s ALA 102 CO 0.02 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.73 3gpw n GLY 103 N -0.67 2.52 3.39 0.00 0.00 -1.02 -1.31 105.19 108.11 3gpw n GLY 103 Ca -0.01 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 3gpw n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 104 N -2.00 2.30 0.35 1.61 -7.23 -0.59 -1.12 120.40 113.72 3gpw s VAL 104 Ca 0.00 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 3gpw s VAL 104 Cb 0.00 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.98 3gpw s VAL 104 CO 0.00 0.18 0.63 1.51 -0.31 0.00 0.00 175.10 177.11 3gpw s ASP 105 N -1.80 0.31 0.64 4.85 3.84 -0.47 -4.72 116.67 119.33 3gpw s ASP 105 Ca 0.14 -1.20 0.20 0.00 -0.00 0.00 0.00 52.55 51.68 3gpw s ASP 105 Cb -0.10 0.74 0.97 0.00 -1.38 0.00 0.00 42.92 43.15 3gpw s ASP 105 CO 0.05 -1.46 1.52 -0.65 -0.00 0.00 0.00 175.17 174.64 3gpw h PRO 10 N 2.07 0.00 -0.02 2.11 0.11 -1.89 -0.13 132.00 134.25 3gpw h PRO 10 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gpw h PRO 10 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gpw h PRO 10 CO 0.38 0.00 -0.13 0.25 -0.21 0.00 0.00 178.00 178.29 3gpw n THR 106 N -2.97 0.00 0.00 -1.15 -2.24 -1.26 -5.08 114.28 101.58 3gpw n THR 106 Ca 0.05 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3gpw n THR 106 Cb 0.82 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.34 3gpw n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpw n GLY 107 N 1.35 0.80 3.55 3.38 0.00 -0.06 -5.07 105.19 109.13 3gpw n GLY 107 Ca 0.13 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 3gpw n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gpw s SER 108 N -4.00 4.61 0.12 1.61 1.04 -1.26 -1.36 113.70 114.44 3gpw s SER 108 Ca 0.00 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.42 3gpw s SER 108 Cb 0.00 -1.29 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 3gpw s SER 108 CO 0.00 0.32 -0.13 -1.00 0.98 0.00 0.00 173.24 173.41 3gpw s HIS 109 N -0.54 1.32 -0.13 5.02 3.76 -0.28 -5.00 115.29 119.44 3gpw s HIS 109 Ca 0.08 -0.58 -0.04 0.00 -0.15 0.00 0.00 55.06 54.38 3gpw s HIS 109 Cb -0.12 -0.70 0.06 0.00 1.11 0.00 0.00 32.58 32.94 3gpw s HIS 109 CO 0.02 0.11 0.16 -1.17 -0.85 0.00 0.00 174.74 173.01 3gpw s LEU 110 N -2.45 -0.01 0.33 0.89 2.96 -1.26 -2.42 118.68 116.71 3gpw s LEU 110 Ca 0.08 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 3gpw s LEU 110 Cb -0.04 0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.82 3gpw s LEU 110 CO 0.02 -0.28 0.17 -0.36 -1.32 0.00 0.00 176.35 174.58 3gpw s PHE 111 N 2.27 1.67 -0.03 5.38 0.08 -0.15 -3.58 117.98 123.63 3gpw s PHE 111 Ca 0.04 -1.39 -0.05 0.00 0.12 0.00 0.00 56.93 55.65 3gpw s PHE 111 Cb -0.14 -0.91 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 3gpw s PHE 111 CO -0.08 -0.52 0.11 -1.54 -0.10 0.00 0.00 175.22 173.10 3gpw s SER 112 N -3.42 -0.06 0.02 1.36 1.04 -0.87 -1.73 113.70 110.04 3gpw s SER 112 Ca 0.34 0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.89 3gpw s SER 112 Cb 0.04 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 3gpw s SER 112 CO 0.18 -0.15 -0.17 -0.63 0.98 0.00 0.00 173.24 173.45 3gpw s ILE 113 N -0.44 1.37 0.20 -1.02 1.09 0.72 -1.60 121.20 121.52 3gpw s ILE 113 Ca -0.05 -0.96 0.07 0.00 -1.10 0.00 0.00 60.65 58.62 3gpw s ILE 113 Cb -0.03 -1.18 -0.04 0.00 -1.06 0.00 0.00 42.46 40.14 3gpw s ILE 113 CO 0.00 0.21 0.04 -1.00 -0.10 0.00 0.00 174.94 174.09 3gpw s HIS 114 N -0.66 2.88 0.36 3.97 3.76 -0.55 -1.44 115.29 123.61 3gpw s HIS 114 Ca 0.05 -0.14 0.17 0.00 -0.15 0.00 0.00 55.06 55.00 3gpw s HIS 114 Cb -0.08 -1.36 1.15 0.00 1.11 0.00 0.00 32.58 33.41 3gpw s HIS 114 CO 0.01 0.54 1.66 0.00 -0.85 0.00 0.00 174.74 176.10 3gpw h ALA 115 N 2.36 2.10 0.00 -1.40 0.00 -1.48 0.28 119.26 121.12 3gpw h ALA 115 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gpw h ALA 115 Cb 1.22 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3gpw h ALA 115 CO 0.59 -0.71 0.00 0.72 0.00 0.00 0.00 179.25 179.86 3gpw n HIS 116 N -4.98 0.37 0.00 0.00 8.25 -1.26 -3.48 115.22 114.11 3gpw n HIS 116 Ca 0.32 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 3gpw n HIS 116 Cb 1.05 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3gpw n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gpw n GLY 117 N 0.66 0.99 3.85 -1.41 0.00 1.00 -3.92 105.19 106.36 3gpw n GLY 117 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.89 6.79 0.22 1.61 1.04 -1.25 -4.80 113.70 115.41 3gpw s SER 118 Ca 0.00 1.14 0.10 0.00 0.48 0.00 0.00 55.95 57.67 3gpw s SER 118 Cb 0.00 -2.31 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 3gpw s SER 118 CO 0.00 -0.04 -0.19 0.42 0.98 0.00 0.00 173.24 174.41 3gpw s THR 119 N -1.72 2.10 0.03 2.02 -4.23 -1.26 -1.49 115.64 111.10 3gpw s THR 119 Ca 0.46 -2.16 -0.02 0.00 -1.18 0.00 0.00 61.69 58.79 3gpw s THR 119 Cb -0.13 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 3gpw s THR 119 CO 0.20 -0.37 0.00 -1.81 -0.54 0.00 0.00 174.62 172.10 3gpw s ASP 120 N -3.08 0.27 0.03 3.99 1.01 -0.63 -4.97 116.67 113.30 3gpw s ASP 120 Ca 0.23 -0.59 0.08 0.00 0.71 0.00 0.00 52.55 52.97 3gpw s ASP 120 Cb -0.05 0.15 -0.03 0.00 1.01 0.00 0.00 42.92 44.01 3gpw s ASP 120 CO 0.10 -0.40 -0.23 0.54 0.21 0.00 0.00 175.17 175.38 3gpw s VAL 121 N -2.17 1.87 0.12 -1.27 0.11 -1.26 -2.04 120.40 115.75 3gpw s VAL 121 Ca -0.09 -1.24 -0.25 0.00 -2.93 0.00 0.00 61.98 57.47 3gpw s VAL 121 Cb -0.05 -1.60 0.08 0.00 -1.53 0.00 0.00 36.38 33.29 3gpw s VAL 121 CO -0.03 0.31 1.09 -0.83 -3.33 0.00 0.00 175.10 172.31 3gpw s GLY 122 N -1.10 -0.11 0.13 6.54 0.00 -1.23 -5.03 107.32 106.51 3gpw s GLY 122 Ca 0.09 0.03 0.18 0.00 0.00 0.00 0.00 44.72 45.02 3gpw s GLY 122 CO 0.01 1.62 0.97 -0.97 0.00 0.00 0.00 173.10 174.73 3gpw h TYR 123 N 2.00 0.00 -3.18 1.90 -1.99 -1.94 -3.43 116.97 110.34 3gpw h TYR 123 Ca -0.27 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.29 3gpw h TYR 123 Cb 1.22 0.00 -0.27 0.00 2.00 0.00 0.00 36.73 39.68 3gpw h TYR 123 CO 0.88 0.42 -0.47 1.52 -0.00 0.00 0.00 178.16 180.50 3gpw s TYR 124 N -3.04 -0.25 0.11 4.88 1.13 -1.26 -0.38 117.35 118.54 3gpw s TYR 124 Ca -0.01 0.62 -0.13 0.00 -1.41 0.00 0.00 57.07 56.14 3gpw s TYR 124 Cb 0.09 0.07 0.02 0.00 -1.10 0.00 0.00 41.96 41.03 3gpw s TYR 124 CO 0.79 -0.14 0.31 -0.51 -2.51 0.00 0.00 175.55 173.50 3gpw s LEU 125 N 0.37 0.83 -0.04 -3.49 1.43 -0.47 -4.97 118.68 112.34 3gpw s LEU 125 Ca -0.02 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 52.34 3gpw s LEU 125 Cb -0.04 1.50 0.06 0.00 0.03 0.00 0.00 46.19 47.74 3gpw s LEU 125 CO -0.02 -0.80 0.59 -0.94 0.23 0.00 0.00 176.35 175.42 3gpw s SER 126 N -2.83 -0.55 0.12 2.29 1.04 -1.26 -0.61 113.70 111.90 3gpw s SER 126 Ca 0.04 0.56 -0.01 0.00 0.48 0.00 0.00 55.95 57.01 3gpw s SER 126 Cb 0.03 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 3gpw s SER 126 CO -0.11 -0.58 0.06 -0.76 0.98 0.00 0.00 173.24 172.82 3gpw s LEU 127 N -1.26 1.79 0.00 2.42 1.43 -0.25 -4.89 118.68 117.94 3gpw s LEU 127 Ca -0.11 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 3gpw s LEU 127 Cb -0.01 0.34 0.00 0.00 0.03 0.00 0.00 46.19 46.54 3gpw s LEU 127 CO 0.08 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.55 3gpw n GLY 128 N -0.08 0.96 0.31 -3.19 0.00 -1.26 -2.21 105.19 99.72 3gpw n GLY 128 Ca -0.06 -2.10 0.19 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 0.44 1.61 4.64 -1.57 0.14 113.55 118.81 3gpw h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gpw h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gpw h SER 129 CO 0.00 0.02 -0.34 0.61 -0.87 0.00 0.00 176.83 176.24 3gpw n GLY 130 N -0.97 -1.04 0.28 -0.77 0.00 0.15 -4.43 105.19 98.41 3gpw n GLY 130 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 3gpw n GLY 130 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gpw n SER 131 N -1.18 -0.53 0.04 1.61 2.88 0.48 -0.92 113.62 116.00 3gpw n SER 131 Ca 0.09 1.24 -0.03 0.00 -1.33 0.00 0.00 58.87 58.84 3gpw n SER 131 Cb 0.33 -0.25 0.22 0.00 -0.75 0.00 0.00 64.21 63.76 3gpw n SER 131 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3gpw h LEU 132 N 0.00 0.40 -0.13 2.46 4.07 -1.79 0.91 115.31 121.24 3gpw h LEU 132 Ca 0.21 -0.14 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 3gpw h LEU 132 Cb 0.39 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 3gpw h LEU 132 CO -0.69 0.68 -0.16 0.00 -1.08 0.00 0.00 178.44 177.19 3gpw h ALA 133 N 1.35 0.19 0.41 1.53 0.00 -1.34 -2.13 119.26 119.27 3gpw h ALA 133 Ca 0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3gpw h ALA 133 Cb 0.68 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gpw h ALA 133 CO 0.05 0.09 -0.24 0.00 0.00 0.00 0.00 179.25 179.15 3gpw h ALA 134 N 0.57 -0.61 -0.88 0.00 0.00 -1.15 -2.77 119.26 114.43 3gpw h ALA 134 Ca 0.02 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.93 3gpw h ALA 134 Cb 0.71 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 3gpw h ALA 134 CO 0.04 -0.85 0.57 1.98 0.00 0.00 0.00 179.25 180.98 3gpw h MET 135 N -0.61 0.72 -0.68 0.00 -1.53 -0.86 -0.31 114.93 111.66 3gpw h MET 135 Ca -0.05 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.20 3gpw h MET 135 Cb 0.50 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 31.34 3gpw h MET 135 CO 0.06 0.48 0.42 0.00 0.14 0.00 0.00 176.91 178.00 3gpw h ALA 136 N 1.59 0.89 -0.29 0.39 0.00 -1.10 0.19 119.26 120.93 3gpw h ALA 136 Ca 0.43 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3gpw h ALA 136 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3gpw h ALA 136 CO -0.19 0.17 0.00 0.28 0.00 0.00 0.00 179.25 179.51 3gpw h VAL 137 N 0.81 1.26 -0.56 0.00 2.07 -0.94 -2.44 116.25 116.44 3gpw h VAL 137 Ca 0.28 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3gpw h VAL 137 Cb 0.05 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3gpw h VAL 137 CO -0.12 0.30 0.32 -0.07 0.02 0.00 0.00 177.57 178.02 3gpw h LEU 138 N 0.30 0.68 -1.78 2.57 3.38 -0.61 0.17 115.31 120.02 3gpw h LEU 138 Ca 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gpw h LEU 138 Cb 0.43 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3gpw h LEU 138 CO 0.01 0.56 0.00 -0.33 0.09 0.00 0.00 178.44 178.77 3gpw h GLU 139 N 0.75 0.00 0.00 1.13 4.39 -0.58 -0.94 114.58 119.34 3gpw h GLU 139 Ca 0.20 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.74 3gpw h GLU 139 Cb 0.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3gpw h GLU 139 CO -0.03 0.00 -1.69 0.43 -1.16 0.00 0.00 179.01 176.55 3gpw n SER 140 N -2.92 0.50 0.00 1.42 7.64 -0.50 -4.64 113.62 115.12 3gpw n SER 140 Ca -0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.09 3gpw n SER 140 Cb 0.21 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 3gpw n SER 140 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3gpw n HIS 141 N -2.70 0.00 -1.31 1.43 8.25 -0.07 -5.06 115.22 115.76 3gpw n HIS 141 Ca -0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.01 3gpw n HIS 141 Cb 0.82 0.00 0.10 0.00 1.12 0.00 0.00 29.99 32.02 3gpw n HIS 141 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3gpw s TRP 142 N -0.97 2.19 0.02 4.41 -0.00 -0.37 -5.03 118.94 119.19 3gpw s TRP 142 Ca 0.00 1.62 -0.27 0.00 -0.00 0.00 0.00 56.10 57.45 3gpw s TRP 142 Cb 0.00 -3.29 0.09 0.00 -0.00 0.00 0.00 33.47 30.27 3gpw s TRP 142 CO 0.00 -2.28 0.81 -1.59 -0.00 0.00 0.00 176.95 173.88 3gpw s LYS 143 N -4.30 0.94 0.37 5.86 -2.85 -1.26 -5.01 119.74 113.48 3gpw s LYS 143 Ca 0.68 -0.27 -0.21 0.00 -1.00 0.00 0.00 55.97 55.18 3gpw s LYS 143 Cb -0.23 0.43 -0.10 0.00 -2.06 0.00 0.00 37.83 35.87 3gpw s LYS 143 CO 0.49 -0.39 0.89 -1.14 0.10 0.00 0.00 175.35 175.30 3gpw s GLN 144 N -2.97 4.26 -0.30 1.78 0.74 -1.26 -4.22 119.66 117.69 3gpw s GLN 144 Ca 0.02 1.06 -0.00 0.00 0.05 0.00 0.00 55.36 56.49 3gpw s GLN 144 Cb -0.01 -2.41 0.00 0.00 1.10 0.00 0.00 33.01 31.69 3gpw s GLN 144 CO -0.08 0.10 0.25 -0.25 -0.55 0.00 0.00 175.29 174.77 3gpw n ASP 145 N -0.23 -2.11 -4.82 6.67 10.43 -1.26 -5.04 116.55 120.20 3gpw n ASP 145 Ca 0.05 -0.15 -0.34 0.00 2.57 0.00 0.00 54.79 56.92 3gpw n ASP 145 Cb 0.53 -1.64 -0.07 0.00 1.84 0.00 0.00 41.12 41.78 3gpw n ASP 145 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3gpw s LEU 146 N -3.03 4.04 0.56 0.64 1.43 -1.26 -4.79 118.68 116.27 3gpw s LEU 146 Ca 0.01 1.66 -0.05 0.00 -1.03 0.00 0.00 54.13 54.73 3gpw s LEU 146 Cb -0.01 -4.36 0.01 0.00 0.03 0.00 0.00 46.19 41.86 3gpw s LEU 146 CO 0.18 -0.27 0.85 0.42 0.23 0.00 0.00 176.35 177.76 3gpw s THR 147 N -2.03 3.69 0.22 5.49 -4.23 -1.26 -0.66 115.64 116.86 3gpw s THR 147 Ca 0.58 -0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 3gpw s THR 147 Cb -0.11 -3.44 0.18 0.00 1.34 0.00 0.00 72.50 70.47 3gpw s THR 147 CO 0.16 -0.43 1.71 0.50 -0.54 0.00 0.00 174.62 176.03 3gpw h LYS 148 N -0.06 0.31 -0.49 3.99 3.64 -1.97 0.41 116.57 122.40 3gpw h LYS 148 Ca -0.45 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 3gpw h LYS 148 Cb 1.26 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3gpw h LYS 148 CO 0.60 0.21 -0.00 0.93 -2.27 0.00 0.00 179.45 178.91 3gpw h GLU 149 N 0.32 0.82 -0.15 1.90 3.07 -2.00 -1.66 114.58 116.89 3gpw h GLU 149 Ca 0.35 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 3gpw h GLU 149 Cb 0.52 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3gpw h GLU 149 CO -0.40 0.83 -0.03 0.93 -1.40 0.00 0.00 179.01 178.94 3gpw h GLU 150 N 0.77 0.29 -0.62 2.33 5.08 -1.67 -2.12 114.58 118.63 3gpw h GLU 150 Ca 0.15 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3gpw h GLU 150 Cb 0.47 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3gpw h GLU 150 CO 0.02 0.56 0.34 0.00 -1.00 0.00 0.00 179.01 178.93 3gpw h ALA 151 N 0.72 0.81 -0.04 3.43 0.00 -0.80 0.22 119.26 123.61 3gpw h ALA 151 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gpw h ALA 151 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gpw h ALA 151 CO 0.01 0.01 -0.02 0.82 0.00 0.00 0.00 179.25 180.08 3gpw h ILE 152 N 0.63 0.94 -0.19 0.00 2.04 -1.21 0.77 117.51 120.48 3gpw h ILE 152 Ca 0.27 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.18 3gpw h ILE 152 Cb 0.16 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3gpw h ILE 152 CO -0.17 0.00 -0.08 0.50 0.00 0.00 0.00 178.15 178.40 3gpw h LYS 153 N -0.02 -0.06 -0.08 2.37 3.11 -0.75 0.23 116.57 121.37 3gpw h LYS 153 Ca 0.02 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.88 3gpw h LYS 153 Cb 0.05 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 3gpw h LYS 153 CO -0.05 -0.04 -0.04 1.25 -2.81 0.00 0.00 179.45 177.77 3gpw h LEU 154 N -0.06 -0.12 -0.25 5.20 5.85 -0.26 0.14 115.31 125.80 3gpw h LEU 154 Ca 0.10 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gpw h LEU 154 Cb 0.21 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3gpw h LEU 154 CO -0.23 -0.05 0.16 0.00 -0.34 0.00 0.00 178.44 177.97 3gpw h ALA 155 N 1.04 0.32 -0.82 1.25 0.00 -0.56 -1.16 119.26 119.33 3gpw h ALA 155 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gpw h ALA 155 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3gpw h ALA 155 CO -0.10 -0.18 0.46 1.03 0.00 0.00 0.00 179.25 180.47 3gpw h SER 156 N 0.32 1.01 -0.35 0.00 0.87 -0.28 -2.15 113.55 112.97 3gpw h SER 156 Ca 0.09 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 3gpw h SER 156 Cb 0.01 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3gpw h SER 156 CO -0.02 0.81 -0.19 0.44 -0.53 0.00 0.00 176.83 177.34 3gpw h ASP 157 N 1.15 0.83 -0.87 6.23 3.45 -0.43 -2.30 116.42 124.48 3gpw h ASP 157 Ca 0.29 -0.29 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3gpw h ASP 157 Cb 0.01 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 38.51 3gpw h ASP 157 CO -0.05 1.01 0.50 0.00 -1.57 0.00 0.00 179.24 179.13 3gpw h ALA 158 N 1.06 1.11 -0.25 3.45 0.00 -0.60 -1.60 119.26 122.43 3gpw h ALA 158 Ca 0.11 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3gpw h ALA 158 Cb 0.71 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gpw h ALA 158 CO 0.05 0.60 -0.44 0.82 0.00 0.00 0.00 179.25 180.28 3gpw h ILE 159 N 1.20 1.30 -0.64 0.00 5.03 -1.27 -2.91 117.51 120.23 3gpw h ILE 159 Ca 0.31 -1.63 0.03 0.00 -0.12 0.00 0.00 64.86 63.45 3gpw h ILE 159 Cb -0.01 1.58 -0.04 0.00 -3.03 0.00 0.00 36.82 35.32 3gpw h ILE 159 CO -0.05 0.52 0.38 1.56 -0.68 0.00 0.00 178.15 179.88 3gpw h GLN 160 N 0.51 0.72 -0.84 2.37 4.20 -0.88 0.25 115.11 121.44 3gpw h GLN 160 Ca 0.03 -0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.87 3gpw h GLN 160 Cb 0.97 -0.16 -0.11 0.00 0.30 0.00 0.00 27.48 28.48 3gpw h GLN 160 CO 0.09 0.48 0.38 0.00 -0.67 0.00 0.00 178.83 179.11 3gpw h ALA 161 N 1.29 1.28 -0.14 3.87 0.00 -1.11 -0.46 119.26 123.98 3gpw h ALA 161 Ca 0.26 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 3gpw h ALA 161 Cb 0.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3gpw h ALA 161 CO -0.12 -0.21 -0.28 0.78 0.00 0.00 0.00 179.25 179.42 3gpw h GLY 162 N 0.49 0.47 0.32 0.00 0.00 -0.99 -0.35 103.07 103.02 3gpw h GLY 162 Ca 0.49 -0.56 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3gpw h GLY 162 CO -0.44 0.50 -0.24 -2.22 0.00 0.00 0.00 176.54 174.15 3gpw h ILE 163 N 0.03 0.43 -0.05 2.60 2.04 0.56 0.44 117.51 123.57 3gpw h ILE 163 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3gpw h ILE 163 Cb 0.87 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3gpw h ILE 163 CO 0.06 0.00 -0.14 -0.50 0.00 0.00 0.00 178.15 177.58 3gpw h TRP 164 N -0.31 0.23 0.00 1.37 -0.00 -1.20 -3.37 115.95 112.67 3gpw h TRP 164 Ca 0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3gpw h TRP 164 Cb 0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 29.16 29.57 3gpw h TRP 164 CO -0.33 0.75 -0.63 -0.91 -0.00 0.00 0.00 178.44 177.32 3gpw h ASN 165 N -0.36 0.00 -3.31 -3.49 4.21 -1.02 -3.46 115.58 108.16 3gpw h ASN 165 Ca -0.00 -0.02 -0.64 0.00 1.21 0.00 0.00 56.30 56.85 3gpw h ASN 165 Cb 0.75 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.75 3gpw h ASN 165 CO 0.03 0.01 -0.65 -0.62 -1.29 0.00 0.00 177.43 174.91 3gpw s ASP 166 N -5.50 4.95 0.45 5.81 2.15 0.15 -4.97 116.67 119.72 3gpw s ASP 166 Ca 0.03 -0.08 0.28 0.00 0.43 0.00 0.00 52.55 53.20 3gpw s ASP 166 Cb 0.09 -1.79 0.85 0.00 -0.30 0.00 0.00 42.92 41.76 3gpw s ASP 166 CO 0.74 0.18 1.78 -0.07 -0.17 0.00 0.00 175.17 177.64 3gpw h LEU 167 N 6.59 0.00 -0.21 -1.34 3.38 -1.86 -2.56 115.31 119.31 3gpw h LEU 167 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3gpw h LEU 167 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3gpw h LEU 167 CO 0.64 0.00 -0.02 0.61 0.09 0.00 0.00 178.44 179.75 3gpw n GLY 168 N 0.61 -0.85 3.21 0.83 0.00 -1.26 -4.83 105.19 102.89 3gpw n GLY 168 Ca 0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 3gpw n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gpw s SER 169 N -2.17 1.53 0.00 1.61 0.01 -0.96 -0.06 113.70 113.65 3gpw s SER 169 Ca 0.40 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.69 3gpw s SER 169 Cb 0.21 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.47 3gpw s SER 169 CO 0.40 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.30 3gpw n GLY 170 N 0.01 -1.20 7.00 3.44 0.00 -1.26 -4.61 105.19 108.57 3gpw n GLY 170 Ca -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3gpw n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gpw n SER 171 N 0.96 0.00 -4.91 1.61 7.64 -1.26 -2.56 113.62 115.09 3gpw n SER 171 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 3gpw n SER 171 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3gpw n SER 171 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3gpw s ASN 172 N -4.00 4.68 -0.16 6.43 0.02 -1.26 -4.34 114.94 116.30 3gpw s ASN 172 Ca 0.00 -1.19 0.01 0.00 -1.02 0.00 0.00 52.86 50.65 3gpw s ASN 172 Cb 0.00 0.36 0.01 0.00 0.02 0.00 0.00 41.25 41.63 3gpw s ASN 172 CO 0.00 -1.10 -0.17 -0.69 0.02 0.00 0.00 177.10 175.16 3gpw s VAL 173 N -2.75 2.41 -0.07 1.60 1.01 -0.70 -1.98 120.40 119.92 3gpw s VAL 173 Ca 0.37 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3gpw s VAL 173 Cb -0.02 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3gpw s VAL 173 CO 0.23 0.52 -0.00 -1.81 0.00 0.00 0.00 175.10 174.04 3gpw s ASP 174 N 1.02 5.18 0.09 3.32 1.01 -0.05 -0.44 116.67 126.79 3gpw s ASP 174 Ca -0.02 0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.38 3gpw s ASP 174 Cb -0.15 -1.43 -0.04 0.00 1.01 0.00 0.00 42.92 42.32 3gpw s ASP 174 CO -0.05 0.36 -0.08 -0.69 0.21 0.00 0.00 175.17 174.92 3gpw s VAL 175 N -0.92 0.78 -0.10 -1.27 1.01 -0.50 -1.25 120.40 118.15 3gpw s VAL 175 Ca 0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 3gpw s VAL 175 Cb -0.11 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 35.02 3gpw s VAL 175 CO 0.04 -0.62 0.21 0.00 0.00 0.00 0.00 175.10 174.73 3gpw s VAL 177 N 2.23 4.26 -0.29 0.00 1.01 0.08 -1.66 120.40 126.02 3gpw s VAL 177 Ca 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3gpw s VAL 177 Cb -0.12 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.43 3gpw s VAL 177 CO -0.07 0.45 -0.04 -0.04 0.00 0.00 0.00 175.10 175.40 3gpw s MET 178 N 0.61 1.90 -0.12 2.72 -1.94 0.00 -0.14 119.30 122.34 3gpw s MET 178 Ca 0.00 -1.58 -0.05 0.00 -1.71 0.00 0.00 55.69 52.35 3gpw s MET 178 Cb -0.14 -3.03 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 3gpw s MET 178 CO 0.02 -0.73 0.08 -2.00 -0.01 0.00 0.00 175.02 172.38 3gpw s GLU 179 N 1.01 3.35 0.34 2.03 2.12 -1.26 -1.15 118.70 125.15 3gpw s GLU 179 Ca -0.00 -0.26 0.13 0.00 0.36 0.00 0.00 54.97 55.20 3gpw s GLU 179 Cb -0.20 -3.05 1.09 0.00 0.26 0.00 0.00 34.13 32.23 3gpw s GLU 179 CO -0.06 0.68 1.58 0.82 -0.54 0.00 0.00 175.26 177.74 3gpw h ILE 180 N 4.16 0.04 -0.00 -3.70 1.08 -1.41 -2.44 117.51 115.23 3gpw h ILE 180 Ca -0.51 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 3gpw h ILE 180 Cb 1.21 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3gpw h ILE 180 CO 0.59 0.01 -0.85 0.61 -0.69 0.00 0.00 178.15 177.81 3gpw n GLY 181 N -1.36 -0.70 1.63 5.37 0.00 -1.26 -4.94 105.19 103.94 3gpw n GLY 181 Ca 0.31 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 3gpw n GLY 181 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gpw n LYS 182 N -1.36 1.25 -2.26 1.61 5.02 -0.92 -5.12 118.16 116.38 3gpw n LYS 182 Ca 0.04 -1.54 -0.33 0.00 -2.02 0.00 0.00 58.31 54.46 3gpw n LYS 182 Cb 0.29 0.25 -0.01 0.00 -0.02 0.00 0.00 35.03 35.54 3gpw n LYS 182 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gpw s ASP 183 N -2.34 6.23 0.20 4.39 -0.00 -1.26 -4.62 116.67 119.26 3gpw s ASP 183 Ca 0.09 1.71 -0.30 0.00 -0.00 0.00 0.00 52.55 54.05 3gpw s ASP 183 Cb -0.01 -2.52 -0.08 0.00 -0.00 0.00 0.00 42.92 40.31 3gpw s ASP 183 CO 0.06 -0.86 1.08 0.00 -0.00 0.00 0.00 175.17 175.45 3gpw s ALA 184 N -2.50 3.37 -0.23 5.23 0.00 -1.26 -4.55 121.76 121.82 3gpw s ALA 184 Ca 0.62 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 3gpw s ALA 184 Cb -0.13 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3gpw s ALA 184 CO 0.33 -0.16 -0.06 -1.83 0.00 0.00 0.00 175.76 174.04 3gpw s GLU 185 N -0.59 3.16 -0.31 0.00 -1.05 0.80 -4.96 118.70 115.76 3gpw s GLU 185 Ca 0.48 -0.76 -0.21 0.00 -0.15 0.00 0.00 54.97 54.32 3gpw s GLU 185 Cb -0.29 -2.97 -0.01 0.00 -0.44 0.00 0.00 34.13 30.42 3gpw s GLU 185 CO 0.35 -0.27 0.66 -0.47 0.95 0.00 0.00 175.26 176.48 3gpw s TYR 186 N 1.41 3.21 -0.80 4.83 5.04 -1.26 -0.74 117.35 129.04 3gpw s TYR 186 Ca 0.04 0.63 -0.05 0.00 -2.44 0.00 0.00 57.07 55.25 3gpw s TYR 186 Cb -0.15 -3.04 0.20 0.00 0.35 0.00 0.00 41.96 39.33 3gpw s TYR 186 CO -0.04 -0.49 0.68 -0.51 -1.34 0.00 0.00 175.55 173.84 3gpw s LEU 187 N 2.68 5.69 -0.02 6.97 1.43 0.20 -4.99 118.68 130.64 3gpw s LEU 187 Ca 0.27 -3.23 -0.30 0.00 -1.03 0.00 0.00 54.13 49.83 3gpw s LEU 187 Cb -0.15 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 3gpw s LEU 187 CO 0.12 -0.32 1.40 -0.60 0.23 0.00 0.00 176.35 177.18 3gpw s ARG 189 N -0.64 4.28 -1.13 1.70 6.06 -1.26 -1.41 118.95 126.55 3gpw s ARG 189 Ca 0.22 1.95 -0.03 0.00 -2.50 0.00 0.00 55.73 55.37 3gpw s ARG 189 Cb -0.13 -3.61 0.00 0.00 0.06 0.00 0.00 34.95 31.27 3gpw s ARG 189 CO -0.08 -0.59 0.96 0.09 -2.50 0.00 0.00 175.30 173.17 3gpw n ASN 190 N 5.56 -3.35 0.21 -2.12 4.13 -1.24 -4.87 115.26 113.58 3gpw n ASN 190 Ca 0.13 -0.53 0.16 0.00 1.68 0.00 0.00 54.58 56.02 3gpw n ASN 190 Cb 0.44 -4.64 0.81 0.00 -1.54 0.00 0.00 39.78 34.85 3gpw n ASN 190 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3gpw h TYR 191 N -1.96 0.00 -3.51 3.10 5.03 -0.70 -3.40 116.97 115.53 3gpw h TYR 191 Ca -0.53 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 60.55 3gpw h TYR 191 Cb 1.32 0.00 -0.29 0.00 1.55 0.00 0.00 36.73 39.30 3gpw h TYR 191 CO 0.41 0.00 -0.65 -0.51 -1.32 0.00 0.00 178.16 176.10 3gpw s LEU 192 N -7.85 1.47 -0.43 2.82 1.43 -1.07 -5.00 118.68 110.05 3gpw s LEU 192 Ca -0.05 0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 3gpw s LEU 192 Cb 0.16 0.21 0.25 0.00 0.03 0.00 0.00 46.19 46.84 3gpw s LEU 192 CO 0.58 -0.06 0.56 0.35 0.23 0.00 0.00 176.35 178.01 3gpw n THR 193 N 3.41 -0.17 1.57 5.49 -2.24 -1.26 -1.72 114.28 119.36 3gpw n THR 193 Ca -0.17 -4.23 0.01 0.00 -2.27 0.00 0.00 64.05 57.39 3gpw n THR 193 Cb 0.57 -1.96 0.03 0.00 -2.10 0.00 0.00 70.33 66.87 3gpw n THR 193 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3gpw n PRO 194 N 1.29 1.21 -2.59 -0.78 -0.04 -1.26 -4.24 135.00 128.59 3gpw n PRO 194 Ca 0.23 -0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 63.27 3gpw n PRO 194 Cb 0.51 -1.17 0.02 0.00 -0.04 0.00 0.00 33.50 32.82 3gpw n PRO 194 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gpw n ASN 195 N -0.22 2.64 -4.74 3.54 3.02 -1.26 -5.08 115.26 113.15 3gpw n ASN 195 Ca 0.02 -3.04 -0.41 0.00 -0.03 0.00 0.00 54.58 51.13 3gpw n ASN 195 Cb 0.12 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.76 3gpw n ASN 195 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gpw s VAL 196 N -4.00 3.60 0.23 2.41 1.01 -1.26 -4.98 120.40 117.41 3gpw s VAL 196 Ca 0.35 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 3gpw s VAL 196 Cb 0.43 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 3gpw s VAL 196 CO -0.04 0.25 1.23 -0.60 0.00 0.00 0.00 175.10 175.94 3gpw s ARG 197 N -0.53 4.47 0.76 2.72 3.00 -1.26 -5.01 118.95 123.10 3gpw s ARG 197 Ca 0.50 1.97 -0.11 0.00 -1.00 0.00 0.00 55.73 57.09 3gpw s ARG 197 Cb -0.32 -3.19 0.05 0.00 0.00 0.00 0.00 34.95 31.49 3gpw s ARG 197 CO 0.37 -0.10 1.10 -1.83 0.00 0.00 0.00 175.30 174.85 3gpw s GLU 198 N -0.64 2.25 0.24 5.12 -1.05 -1.26 -4.93 118.70 118.43 3gpw s GLU 198 Ca 0.52 1.25 -0.31 0.00 -0.15 0.00 0.00 54.97 56.28 3gpw s GLU 198 Cb -0.35 -1.89 -0.11 0.00 -0.44 0.00 0.00 34.13 31.34 3gpw s GLU 198 CO 0.40 -1.65 1.57 -2.00 0.95 0.00 0.00 175.26 174.52 3gpw s GLU 199 N -4.73 4.18 0.93 -4.83 2.12 -1.26 -4.95 118.70 110.17 3gpw s GLU 199 Ca 0.63 2.46 -0.10 0.00 0.36 0.00 0.00 54.97 58.31 3gpw s GLU 199 Cb -0.18 -3.08 0.15 0.00 0.26 0.00 0.00 34.13 31.27 3gpw s GLU 199 CO 0.53 -0.59 1.12 1.63 -0.54 0.00 0.00 175.26 177.41 3gpw n LYS 200 N 2.88 -0.54 0.16 4.30 5.02 -1.26 -4.90 118.16 123.81 3gpw n LYS 200 Ca 0.10 -0.09 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3gpw n LYS 200 Cb 0.38 -2.35 0.29 0.00 -0.02 0.00 0.00 35.03 33.33 3gpw n LYS 200 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3gpw h GLN 201 N -1.93 0.00 -3.42 1.97 5.75 -2.06 -3.47 115.11 111.96 3gpw h GLN 201 Ca -0.44 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.03 3gpw h GLN 201 Cb 1.27 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.72 3gpw h GLN 201 CO 0.41 0.00 -0.03 0.21 -2.65 0.00 0.00 178.83 176.77 3gpw s LYS 202 N -3.16 1.35 -0.11 1.69 2.20 -1.26 -5.15 119.74 115.31 3gpw s LYS 202 Ca 0.09 -0.94 -0.04 0.00 -0.36 0.00 0.00 55.97 54.72 3gpw s LYS 202 Cb 0.09 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.87 3gpw s LYS 202 CO 0.63 -0.56 0.04 0.45 -0.36 0.00 0.00 175.35 175.55 3gpw s SER 203 N -2.90 5.50 -0.24 1.43 0.15 -1.26 -5.00 113.70 111.38 3gpw s SER 203 Ca 0.11 0.18 0.13 0.00 0.70 0.00 0.00 55.95 57.08 3gpw s SER 203 Cb -0.00 -1.69 0.59 0.00 -1.71 0.00 0.00 66.02 63.21 3gpw s SER 203 CO -0.02 0.34 1.55 -1.22 1.20 0.00 0.00 173.24 175.09 3gpw n TYR 204 N 2.42 1.42 -1.86 3.44 4.01 -1.26 -4.96 117.16 120.37 3gpw n TYR 204 Ca -0.18 -1.12 -0.42 0.00 -0.16 0.00 0.00 57.90 56.01 3gpw n TYR 204 Cb 0.54 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 3gpw n TYR 204 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3gpw s LYS 205 N -2.97 4.17 0.33 -0.72 2.20 -1.26 -4.97 119.74 116.52 3gpw s LYS 205 Ca 0.47 2.39 -0.19 0.00 -0.36 0.00 0.00 55.97 58.28 3gpw s LYS 205 Cb 0.39 -4.00 -0.09 0.00 -1.51 0.00 0.00 37.83 32.61 3gpw s LYS 205 CO 0.08 -0.88 0.81 -0.06 -0.36 0.00 0.00 175.35 174.95 3gpw s PHE 206 N 4.02 3.45 0.28 4.03 0.08 -1.26 -5.03 117.98 123.54 3gpw s PHE 206 Ca 0.80 1.42 -0.29 0.00 0.12 0.00 0.00 56.93 58.97 3gpw s PHE 206 Cb -0.38 -2.68 -0.10 0.00 -0.57 0.00 0.00 43.02 39.30 3gpw s PHE 206 CO 0.35 0.10 1.17 -1.25 -0.10 0.00 0.00 175.22 175.49 3gpw s PRO 207 N -2.73 4.55 0.37 0.24 0.04 -1.26 -4.93 135.00 131.27 3gpw s PRO 207 Ca 0.54 1.92 -0.28 0.00 0.04 0.00 0.00 61.00 63.21 3gpw s PRO 207 Cb -0.12 -3.17 -0.11 0.00 0.04 0.00 0.00 34.50 31.14 3gpw s PRO 207 CO 0.18 0.07 1.50 0.54 0.04 0.00 0.00 177.00 179.32 3gpw n ARG 208 N 1.30 2.67 -0.05 4.56 1.74 -1.26 -2.01 116.66 123.61 3gpw n ARG 208 Ca 0.00 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 3gpw n ARG 208 Cb 0.44 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.21 3gpw n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gpw n GLY 209 N 0.66 0.42 0.33 -0.13 0.00 -1.26 -4.95 105.19 100.26 3gpw n GLY 209 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3gpw n GLY 209 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gpw h THR 210 N 0.00 1.16 -3.35 2.61 2.02 -1.78 -3.42 112.91 110.15 3gpw h THR 210 Ca 0.00 -0.36 -0.57 0.00 0.77 0.00 0.00 66.41 66.26 3gpw h THR 210 Cb 0.00 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 66.69 3gpw h THR 210 CO 0.00 0.17 -0.00 -0.89 0.37 0.00 0.00 175.52 175.17 3gpw s THR 211 N -5.61 5.08 -0.03 3.16 2.01 -1.26 -5.04 115.64 113.95 3gpw s THR 211 Ca -0.10 1.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 3gpw s THR 211 Cb 0.17 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3gpw s THR 211 CO 0.76 0.29 1.13 0.00 -0.69 0.00 0.00 174.62 176.12 3gpw s ALA 212 N 0.64 3.41 -0.11 7.40 0.00 -1.26 -5.03 121.76 126.81 3gpw s ALA 212 Ca 0.33 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3gpw s ALA 212 Cb -0.17 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 3gpw s ALA 212 CO 0.15 -0.59 -0.10 0.08 0.00 0.00 0.00 175.76 175.30 3gpw s VAL 213 N 1.77 3.35 -0.19 0.00 1.01 -1.26 -5.04 120.40 120.05 3gpw s VAL 213 Ca 0.55 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 3gpw s VAL 213 Cb -0.24 -2.40 -0.21 0.00 0.00 0.00 0.00 36.38 33.54 3gpw s VAL 213 CO 0.24 0.55 0.19 0.18 0.00 0.00 0.00 175.10 176.26 3gpw n LEU 214 N 3.01 2.16 -3.84 3.92 4.77 -1.26 -5.01 117.00 120.75 3gpw n LEU 214 Ca -0.18 0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 3gpw n LEU 214 Cb 0.53 -1.00 -0.09 0.00 -2.33 0.00 0.00 43.42 40.52 3gpw n LEU 214 CO 0.29 0.52 -0.11 -0.75 -1.33 0.00 0.00 177.39 176.01 3gpw s LYS 215 N -2.45 0.61 0.02 3.23 2.20 -1.26 -5.17 119.74 116.92 3gpw s LYS 215 Ca -0.28 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 3gpw s LYS 215 Cb 0.07 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 3gpw s LYS 215 CO 0.64 -0.16 -0.03 -2.00 -0.36 0.00 0.00 175.35 173.44 3gpw s GLU 216 N -1.87 0.29 0.13 4.03 2.12 -1.26 -5.17 118.70 116.97 3gpw s GLU 216 Ca -0.11 -0.53 -0.25 0.00 0.36 0.00 0.00 54.97 54.45 3gpw s GLU 216 Cb -0.04 0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.46 3gpw s GLU 216 CO -0.00 -0.03 0.82 -1.54 -0.54 0.00 0.00 175.26 173.97 3gpw s SER 217 N -1.24 -0.33 -0.11 -1.70 1.04 -1.26 -5.16 113.70 104.94 3gpw s SER 217 Ca -0.13 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 55.96 3gpw s SER 217 Cb -0.08 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 3gpw s SER 217 CO -0.01 -0.91 0.25 -0.63 0.98 0.00 0.00 173.24 172.93 3gpw s ILE 218 N -3.45 5.32 -0.14 -1.02 -1.09 -1.26 -5.08 121.20 114.49 3gpw s ILE 218 Ca 0.07 0.47 -0.15 0.00 -2.23 0.00 0.00 60.65 58.82 3gpw s ILE 218 Cb -0.02 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 3gpw s ILE 218 CO -0.04 0.52 0.34 -0.69 -1.23 0.00 0.00 174.94 173.84 3gpw s VAL 219 N -0.40 5.26 -0.30 2.92 1.01 -1.26 -5.05 120.40 122.58 3gpw s VAL 219 Ca 0.17 0.65 -0.25 0.00 0.00 0.00 0.00 61.98 62.55 3gpw s VAL 219 Cb -0.13 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3gpw s VAL 219 CO 0.06 0.40 0.85 0.21 0.00 0.00 0.00 175.10 176.61 3gpw s ASN 220 N 0.32 6.73 -0.12 3.32 2.47 -1.26 -4.90 114.94 121.51 3gpw s ASN 220 Ca 0.19 0.77 0.12 0.00 0.42 0.00 0.00 52.86 54.36 3gpw s ASN 220 Cb -0.14 -2.43 -0.18 0.00 -1.45 0.00 0.00 41.25 37.05 3gpw s ASN 220 CO 0.06 -0.65 0.09 -0.38 -3.72 0.00 0.00 177.10 172.50 3gpw n ILE 221 N 5.57 0.78 -2.68 -5.21 5.41 -1.26 -4.96 119.36 117.01 3gpw n ILE 221 Ca 0.05 -0.54 -0.42 0.00 1.00 0.00 0.00 62.75 62.85 3gpw n ILE 221 Cb 0.48 -0.51 -0.03 0.00 -0.71 0.00 0.00 39.64 38.87 3gpw n ILE 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55