#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 0.50 0.00 12.58 2.01 -1.26 0.25 115.64 129.72 3gpw s THR 2 Ca 0.00 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.05 3gpw s THR 2 Cb 0.00 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 3gpw s THR 2 CO 0.00 0.28 -0.05 0.27 -0.69 0.00 0.00 174.62 174.43 3gpw s ILE 3 N 1.86 0.36 0.07 1.82 -4.36 -0.89 -1.85 121.20 118.22 3gpw s ILE 3 Ca 0.04 -0.27 -0.02 0.00 -0.26 0.00 0.00 60.65 60.15 3gpw s ILE 3 Cb -0.12 -0.32 -0.04 0.00 1.25 0.00 0.00 42.46 43.23 3gpw s ILE 3 CO -0.05 0.05 0.01 0.68 0.24 0.00 0.00 174.94 175.87 3gpw s VAL 4 N -0.22 0.18 -0.00 8.37 -7.23 -0.50 -1.14 120.40 119.86 3gpw s VAL 4 Ca 0.01 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 3gpw s VAL 4 Cb -0.02 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 3gpw s VAL 4 CO -0.00 -0.84 -0.04 -0.83 -0.31 0.00 0.00 175.10 173.09 3gpw s GLY 5 N -2.95 0.18 -0.11 2.32 0.00 0.43 -1.41 107.32 105.79 3gpw s GLY 5 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 44.72 44.62 3gpw s GLY 5 CO -0.07 -0.14 0.22 0.14 0.00 0.00 0.00 173.10 173.25 3gpw s VAL 6 N -0.13 -0.28 0.35 1.40 1.01 0.54 -1.20 120.40 122.10 3gpw s VAL 6 Ca 0.01 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 3gpw s VAL 6 Cb -0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 36.38 35.89 3gpw s VAL 6 CO -0.00 0.11 0.88 -0.54 0.00 0.00 0.00 175.10 175.55 3gpw s LYS 7 N 2.10 4.29 0.14 2.72 -0.14 0.54 -1.03 119.74 128.36 3gpw s LYS 7 Ca -0.01 1.06 0.02 0.00 -1.36 0.00 0.00 55.97 55.69 3gpw s LYS 7 Cb -0.12 -2.50 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 3gpw s LYS 7 CO -0.08 0.15 -0.04 -0.59 -0.76 0.00 0.00 175.35 174.03 3gpw s PHE 8 N -1.89 1.11 0.33 3.18 -0.12 -0.41 -4.72 117.98 115.47 3gpw s PHE 8 Ca 0.54 -0.93 0.27 0.00 -0.05 0.00 0.00 56.93 56.77 3gpw s PHE 8 Cb -0.13 -0.62 1.10 0.00 -0.63 0.00 0.00 43.02 42.74 3gpw s PHE 8 CO 0.18 -0.13 1.08 0.27 -0.05 0.00 0.00 175.22 176.58 3gpw n ASN 9 N -0.16 0.09 -1.30 1.98 0.23 0.19 -1.63 115.26 114.66 3gpw n ASN 9 Ca -0.09 0.87 0.04 0.00 -0.53 0.00 0.00 54.58 54.86 3gpw n ASN 9 Cb 0.62 -0.43 0.08 0.00 -2.08 0.00 0.00 39.78 37.97 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 -3.81 1.31 0.00 0.53 5.15 -1.26 -5.08 115.26 112.10 3gpw n ASN 10 Ca 0.29 -2.60 0.00 0.00 -0.60 0.00 0.00 54.58 51.67 3gpw n ASN 10 Cb 1.20 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 40.08 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 -0.65 -0.84 105.19 114.43 3gpw n GLY 11 Ca 0.11 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.08 0.10 -0.02 1.61 0.11 -0.36 -1.29 120.40 117.48 3gpw s VAL 12 Ca 0.00 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 3gpw s VAL 12 Cb 0.00 -0.53 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 3gpw s VAL 12 CO 0.00 -0.44 -0.09 0.54 -3.33 0.00 0.00 175.10 171.78 3gpw s VAL 13 N -1.69 0.72 0.08 2.04 0.11 -0.20 -0.87 120.40 120.59 3gpw s VAL 13 Ca -0.13 -0.36 0.07 0.00 -2.93 0.00 0.00 61.98 58.63 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 -0.00 0.22 -0.18 0.27 -3.33 0.00 0.00 175.10 172.08 3gpw s ILE 14 N -0.01 1.45 0.19 7.04 -4.36 -0.58 -0.33 121.20 124.60 3gpw s ILE 14 Ca 0.00 -1.40 -0.08 0.00 -0.26 0.00 0.00 60.65 58.91 3gpw s ILE 14 Cb -0.06 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 42.30 3gpw s ILE 14 CO -0.00 -0.10 0.30 0.00 0.24 0.00 0.00 174.94 175.39 3gpw s ALA 15 N -1.16 0.16 0.10 2.27 0.00 -0.50 -0.95 121.76 121.69 3gpw s ALA 15 Ca 0.03 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 3gpw s ALA 15 Cb -0.10 1.01 0.08 0.00 0.00 0.00 0.00 23.12 24.11 3gpw s ALA 15 CO 0.03 -0.69 0.69 0.00 0.00 0.00 0.00 175.76 175.79 3gpw s ALA 16 N -4.02 -1.67 0.94 0.00 0.00 -0.35 -1.40 121.76 115.25 3gpw s ALA 16 Ca 0.22 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.72 3gpw s ALA 16 Cb 0.03 0.70 0.19 0.00 0.00 0.00 0.00 23.12 24.04 3gpw s ALA 16 CO 0.04 -0.73 1.30 0.16 0.00 0.00 0.00 175.76 176.54 3gpw s ASP 17 N -2.59 3.27 -0.16 0.00 -4.77 -0.77 -0.92 116.67 110.73 3gpw s ASP 17 Ca 0.02 0.26 0.16 0.00 -3.30 0.00 0.00 52.55 49.69 3gpw s ASP 17 Cb -0.01 -0.35 0.33 0.00 -1.09 0.00 0.00 42.92 41.80 3gpw s ASP 17 CO -0.11 -2.64 1.17 0.35 0.70 0.00 0.00 175.17 174.65 3gpw n THR 18 N -3.69 1.95 -3.48 2.11 -2.24 -0.88 -4.58 114.28 103.47 3gpw n THR 18 Ca 0.15 -2.57 -0.38 0.00 -2.27 0.00 0.00 64.05 58.98 3gpw n THR 18 Cb 0.60 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.93 4.01 -0.11 -0.78 3.52 -1.21 -1.33 118.95 120.13 3gpw s ARG 19 Ca 0.34 0.37 0.02 0.00 -0.13 0.00 0.00 55.73 56.33 3gpw s ARG 19 Cb 0.31 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.43 3gpw s ARG 19 CO -0.01 0.56 -0.16 0.45 -0.81 0.00 0.00 175.30 175.33 3gpw s SER 20 N -0.63 2.47 0.10 -2.12 0.15 -0.20 -4.84 113.70 108.64 3gpw s SER 20 Ca 0.23 -0.44 0.06 0.00 0.70 0.00 0.00 55.95 56.50 3gpw s SER 20 Cb -0.16 -1.11 -0.03 0.00 -1.71 0.00 0.00 66.02 63.00 3gpw s SER 20 CO 0.12 0.03 -0.15 0.42 1.20 0.00 0.00 173.24 174.85 3gpw s THR 21 N 0.91 1.31 -0.33 6.45 -4.23 -1.26 -0.14 115.64 118.35 3gpw s THR 21 Ca -0.08 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 58.92 3gpw s THR 21 Cb -0.15 -1.37 0.09 0.00 1.34 0.00 0.00 72.50 72.41 3gpw s THR 21 CO -0.01 -0.29 0.03 -1.10 -0.54 0.00 0.00 174.62 172.71 3gpw s GLN 22 N -2.22 1.54 7.58 3.99 -0.21 0.74 -4.86 119.66 126.22 3gpw s GLN 22 Ca 0.05 -1.78 0.00 0.00 0.02 0.00 0.00 55.36 53.65 3gpw s GLN 22 Cb -0.08 -3.12 0.00 0.00 1.00 0.00 0.00 33.01 30.81 3gpw s GLN 22 CO 0.03 -0.89 0.00 0.41 -2.12 0.00 0.00 175.29 172.71 3gpw n GLY 23 N 4.30 3.16 0.55 3.09 0.00 -1.26 -1.28 105.19 113.74 3gpw n GLY 23 Ca 0.02 -0.20 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 13.75 1.73 -3.62 1.61 -0.04 -1.26 -4.88 135.00 142.29 3gpw n PRO 24 Ca 0.00 -1.08 -0.37 0.00 -0.04 0.00 0.00 63.50 62.01 3gpw n PRO 24 Cb 0.00 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.83 5.30 -0.50 0.52 1.09 -0.41 -5.04 121.20 120.34 3gpw s ILE 25 Ca 0.33 0.50 -0.26 0.00 -1.10 0.00 0.00 60.65 60.13 3gpw s ILE 25 Cb 0.18 -3.58 0.03 0.00 -1.06 0.00 0.00 42.46 38.03 3gpw s ILE 25 CO 0.28 0.48 0.98 -0.69 -0.10 0.00 0.00 174.94 175.89 3gpw s VAL 26 N -0.18 4.38 -0.12 2.92 1.01 -1.26 -0.19 120.40 126.96 3gpw s VAL 26 Ca 0.17 0.70 -0.28 0.00 0.00 0.00 0.00 61.98 62.57 3gpw s VAL 26 Cb -0.13 -4.51 -0.26 0.00 0.00 0.00 0.00 36.38 31.48 3gpw s VAL 26 CO 0.05 -0.97 0.83 0.00 0.00 0.00 0.00 175.10 175.02 3gpw h ALA 27 N 9.20 -0.00 -3.17 5.51 0.00 -0.87 -3.45 119.26 126.48 3gpw h ALA 27 Ca -0.24 -0.48 -0.61 0.00 0.00 0.00 0.00 54.91 53.57 3gpw h ALA 27 Cb 1.07 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.51 3gpw h ALA 27 CO 1.07 -0.01 -0.84 0.34 0.00 0.00 0.00 179.25 179.81 3gpw s ASP 28 N -6.20 2.69 0.00 0.00 3.68 -1.07 -4.99 116.67 110.78 3gpw s ASP 28 Ca -0.18 -0.50 0.28 0.00 2.13 0.00 0.00 52.55 54.28 3gpw s ASP 28 Cb -0.02 -1.21 1.15 0.00 -1.45 0.00 0.00 42.92 41.39 3gpw s ASP 28 CO 0.70 -0.01 1.82 0.29 0.13 0.00 0.00 175.17 178.09 3gpw n LYS 29 N 4.49 0.64 -2.80 4.34 5.02 -1.26 -1.03 118.16 127.55 3gpw n LYS 29 Ca -0.18 -0.24 -0.10 0.00 -2.02 0.00 0.00 58.31 55.77 3gpw n LYS 29 Cb 0.51 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.08 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 -0.98 -0.50 -4.71 4.39 4.05 -1.05 -4.57 115.26 111.89 3gpw n ASN 30 Ca 0.13 -2.92 -0.29 0.00 0.45 0.00 0.00 54.58 51.95 3gpw n ASN 30 Cb 0.29 0.45 0.13 0.00 1.23 0.00 0.00 39.78 41.88 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 -3.39 2.56 -2.19 0.00 0.00 -1.26 -4.60 121.76 112.88 3gpw s ALA 32 Ca 0.65 -1.48 0.25 0.00 0.00 0.00 0.00 51.96 51.37 3gpw s ALA 32 Cb -0.13 -1.52 0.39 0.00 0.00 0.00 0.00 23.12 21.86 3gpw s ALA 32 CO 0.52 -0.80 1.34 1.63 0.00 0.00 0.00 175.76 178.46 3gpw n LYS 33 N 4.59 1.37 -3.38 0.00 5.02 -1.26 -4.82 118.16 119.67 3gpw n LYS 33 Ca -0.17 -1.02 -0.42 0.00 -2.02 0.00 0.00 58.31 54.68 3gpw n LYS 33 Cb 0.46 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.34 4.68 0.29 -0.35 1.02 -1.26 -1.51 118.68 119.21 3gpw s LEU 34 Ca 0.24 -0.49 0.10 0.00 0.02 0.00 0.00 54.13 54.01 3gpw s LEU 34 Cb 0.19 -2.33 -0.05 0.00 0.02 0.00 0.00 46.19 44.03 3gpw s LEU 34 CO 0.48 -0.44 -0.07 -1.00 0.02 0.00 0.00 176.35 175.33 3gpw s HIS 35 N 2.01 2.52 -0.11 0.29 3.76 0.62 -4.95 115.29 119.44 3gpw s HIS 35 Ca 0.11 -0.30 -0.05 0.00 -0.15 0.00 0.00 55.06 54.67 3gpw s HIS 35 Cb -0.17 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 3gpw s HIS 35 CO 0.12 0.63 0.06 0.50 -0.85 0.00 0.00 174.74 175.21 3gpw s ARG 36 N -3.62 3.28 -0.24 1.40 3.52 -1.26 0.71 118.95 122.73 3gpw s ARG 36 Ca 0.32 -0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.66 3gpw s ARG 36 Cb -0.05 -3.00 -0.17 0.00 -1.56 0.00 0.00 34.95 30.17 3gpw s ARG 36 CO 0.18 0.68 -0.20 -0.89 -0.81 0.00 0.00 175.30 174.27 3gpw n ILE 37 N 2.24 1.42 -3.89 4.11 5.41 0.59 -4.83 119.36 124.40 3gpw n ILE 37 Ca -0.19 -0.57 -0.09 0.00 1.00 0.00 0.00 62.75 62.90 3gpw n ILE 37 Cb 0.54 -1.31 -0.05 0.00 -0.71 0.00 0.00 39.64 38.11 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 -6.33 -0.12 0.32 4.38 1.04 -1.09 -4.47 113.70 107.42 3gpw s SER 38 Ca -0.32 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 55.42 3gpw s SER 38 Cb 0.08 0.55 0.87 0.00 0.10 0.00 0.00 66.02 67.62 3gpw s SER 38 CO 0.59 -1.05 1.59 -0.65 0.98 0.00 0.00 173.24 174.70 3gpw h PRO 39 N 2.30 0.05 -0.26 4.02 0.11 -2.00 -2.02 132.00 134.20 3gpw h PRO 39 Ca -0.28 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.73 3gpw h PRO 39 Cb 1.25 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 3gpw h PRO 39 CO 0.39 0.03 -0.07 1.63 -0.21 0.00 0.00 178.00 179.77 3gpw n LYS 40 N -5.39 2.08 -3.75 1.05 5.02 -1.26 -4.62 118.16 111.29 3gpw n LYS 40 Ca 0.26 -3.03 -0.28 0.00 -2.02 0.00 0.00 58.31 53.24 3gpw n LYS 40 Cb 0.85 -1.78 -0.16 0.00 -0.02 0.00 0.00 35.03 33.92 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 -3.09 0.67 0.20 -0.18 1.01 -0.76 -1.45 121.20 117.61 3gpw s ILE 41 Ca 0.42 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 60.37 3gpw s ILE 41 Cb 0.37 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 3gpw s ILE 41 CO 0.02 -0.31 -0.06 0.26 0.00 0.00 0.00 174.94 174.86 3gpw s TRP 42 N 1.77 2.69 0.07 3.97 0.52 -0.41 -0.30 118.94 127.24 3gpw s TRP 42 Ca 0.01 -0.21 0.09 0.00 0.02 0.00 0.00 56.10 56.01 3gpw s TRP 42 Cb -0.17 -1.28 -0.03 0.00 -1.15 0.00 0.00 33.47 30.84 3gpw s TRP 42 CO -0.12 0.54 -0.24 0.00 0.02 0.00 0.00 176.95 177.16 3gpw s ALA 44 N -0.90 2.36 0.05 0.00 0.00 -0.15 -0.27 121.76 122.84 3gpw s ALA 44 Ca 0.10 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.10 3gpw s ALA 44 Cb -0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 3gpw s ALA 44 CO 0.03 0.08 -0.13 0.20 0.00 0.00 0.00 175.76 175.94 3gpw s GLY 45 N 0.64 1.69 0.02 0.00 0.00 -0.57 -1.10 107.32 108.01 3gpw s GLY 45 Ca -0.10 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.43 3gpw s GLY 45 CO 0.02 -1.08 0.03 0.00 0.00 0.00 0.00 173.10 172.07 3gpw s ALA 46 N -1.04 0.04 0.00 3.20 0.00 0.67 -4.92 121.76 119.71 3gpw s ALA 46 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3gpw s ALA 46 Cb -0.11 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3gpw s ALA 46 CO 0.09 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3gpw n GLY 47 N 1.20 0.68 3.60 0.00 0.00 -1.26 -1.08 105.19 108.32 3gpw n GLY 47 Ca -0.21 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 4.19 0.22 2.61 2.01 0.10 -4.93 115.64 119.85 3gpw s THR 48 Ca 0.00 1.22 -0.12 0.00 0.31 0.00 0.00 61.69 63.09 3gpw s THR 48 Cb 0.00 -4.59 0.24 0.00 0.01 0.00 0.00 72.50 68.16 3gpw s THR 48 CO 0.00 -1.00 1.63 0.00 -0.69 0.00 0.00 174.62 174.56 3gpw h ALA 49 N 9.28 0.48 -0.57 7.40 0.00 -1.90 0.12 119.26 134.06 3gpw h ALA 49 Ca -0.23 0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3gpw h ALA 49 Cb 1.06 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3gpw h ALA 49 CO 1.13 -0.42 0.38 0.00 0.00 0.00 0.00 179.25 180.34 3gpw h ALA 50 N 1.64 1.76 -0.01 0.00 0.00 -1.96 -1.26 119.26 119.43 3gpw h ALA 50 Ca 0.32 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3gpw h ALA 50 Cb 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gpw h ALA 50 CO -0.65 0.17 -0.21 -0.44 0.00 0.00 0.00 179.25 178.12 3gpw h ASP 51 N 0.62 0.20 -0.65 0.00 3.45 -1.15 -0.07 116.42 118.82 3gpw h ASP 51 Ca 0.24 -0.75 0.03 0.00 0.43 0.00 0.00 57.03 56.98 3gpw h ASP 51 Cb 0.17 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 38.83 3gpw h ASP 51 CO -0.07 0.92 0.40 0.71 -1.57 0.00 0.00 179.24 179.64 3gpw h THR 52 N -0.50 1.08 0.05 0.35 1.35 -1.01 0.16 112.91 114.38 3gpw h THR 52 Ca -0.02 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3gpw h THR 52 Cb 0.95 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3gpw h THR 52 CO 0.04 0.14 -0.02 -0.08 -0.25 0.00 0.00 175.52 175.35 3gpw h GLU 53 N 0.79 -0.06 -0.48 4.72 4.57 -1.27 -1.55 114.58 121.29 3gpw h GLU 53 Ca 0.26 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.38 3gpw h GLU 53 Cb 0.03 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3gpw h GLU 53 CO -0.11 0.08 0.01 0.00 -1.18 0.00 0.00 179.01 177.81 3gpw h ALA 54 N 0.76 1.12 -0.05 2.92 0.00 -0.77 -2.46 119.26 120.78 3gpw h ALA 54 Ca -0.01 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 3gpw h ALA 54 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gpw h ALA 54 CO 0.01 0.56 -0.68 -0.24 0.00 0.00 0.00 179.25 178.90 3gpw h VAL 55 N 0.74 1.42 -0.20 0.00 3.04 -0.88 -1.76 116.25 118.60 3gpw h VAL 55 Ca 0.15 -2.16 -0.14 0.00 -1.01 0.00 0.00 66.70 63.53 3gpw h VAL 55 Cb 0.43 2.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.84 3gpw h VAL 55 CO 0.02 0.64 -0.47 0.74 -1.01 0.00 0.00 177.57 177.48 3gpw h THR 56 N 0.16 1.31 0.09 3.17 2.02 -1.06 -2.44 112.91 116.16 3gpw h THR 56 Ca -0.02 -1.68 -0.26 0.00 0.77 0.00 0.00 66.41 65.23 3gpw h THR 56 Cb 1.22 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3gpw h THR 56 CO 0.11 0.52 -1.14 1.56 0.37 0.00 0.00 175.52 176.93 3gpw h GLN 57 N 0.41 0.30 0.40 6.66 4.20 -1.36 -1.59 115.11 124.14 3gpw h GLN 57 Ca 0.02 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.27 3gpw h GLN 57 Cb 0.98 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.92 3gpw h GLN 57 CO 0.09 1.17 -0.19 1.25 -0.67 0.00 0.00 178.83 180.48 3gpw h LEU 58 N 0.12 -0.46 -1.37 1.46 5.85 -1.27 0.19 115.31 119.83 3gpw h LEU 58 Ca -0.11 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 3gpw h LEU 58 Cb 1.84 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 3gpw h LEU 58 CO 0.19 -0.17 -0.28 0.40 -0.34 0.00 0.00 178.44 178.24 3gpw h ILE 59 N -0.75 1.22 -0.45 4.05 5.03 -1.56 -1.54 117.51 123.50 3gpw h ILE 59 Ca -0.06 -1.02 -0.06 0.00 -0.12 0.00 0.00 64.86 63.60 3gpw h ILE 59 Cb 0.52 1.52 -0.02 0.00 -3.03 0.00 0.00 36.82 35.81 3gpw h ILE 59 CO 0.09 0.30 0.05 1.23 -0.68 0.00 0.00 178.15 179.14 3gpw h GLY 60 N 0.90 0.83 0.94 5.37 0.00 -1.04 0.36 103.07 110.43 3gpw h GLY 60 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 3gpw h GLY 60 CO 0.04 0.52 0.01 0.23 0.00 0.00 0.00 176.54 177.35 3gpw h SER 61 N 0.62 0.03 -0.21 0.19 0.87 -0.06 -0.91 113.55 114.09 3gpw h SER 61 Ca 0.14 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 3gpw h SER 61 Cb 0.42 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3gpw h SER 61 CO 0.01 0.08 -0.08 0.78 -0.53 0.00 0.00 176.83 177.09 3gpw h ASN 62 N -0.03 0.54 -0.33 6.23 2.35 -1.13 -2.08 115.58 121.14 3gpw h ASN 62 Ca 0.01 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 3gpw h ASN 62 Cb 0.06 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3gpw h ASN 62 CO -0.00 0.67 -0.01 0.40 -1.65 0.00 0.00 177.43 176.84 3gpw h ILE 63 N 0.53 1.23 0.00 2.81 1.08 0.02 0.49 117.51 123.67 3gpw h ILE 63 Ca 0.10 -0.94 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 3gpw h ILE 63 Cb 0.47 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 3gpw h ILE 63 CO 0.03 0.33 -0.00 -0.08 -0.69 0.00 0.00 178.15 177.73 3gpw h GLU 64 N 0.65 -0.00 -0.72 2.37 4.81 -0.65 -1.09 114.58 119.94 3gpw h GLU 64 Ca 0.13 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3gpw h GLU 64 Cb 0.42 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3gpw h GLU 64 CO 0.02 0.27 0.48 -0.07 -0.73 0.00 0.00 179.01 178.98 3gpw h LEU 65 N -0.27 0.78 -0.51 1.64 3.38 -1.10 -0.48 115.31 118.74 3gpw h LEU 65 Ca -0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3gpw h LEU 65 Cb 0.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3gpw h LEU 65 CO 0.00 0.55 -0.05 -0.74 0.09 0.00 0.00 178.44 178.28 3gpw h HIS 66 N 0.91 1.04 0.20 1.13 2.76 -0.71 -0.94 115.15 119.53 3gpw h HIS 66 Ca 0.28 -0.20 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3gpw h HIS 66 Cb 0.00 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.70 3gpw h HIS 66 CO -0.00 0.97 -0.10 1.03 -1.30 0.00 0.00 177.93 178.54 3gpw h SER 67 N 0.80 -0.23 -0.99 3.26 0.87 -0.42 0.33 113.55 117.17 3gpw h SER 67 Ca 0.14 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3gpw h SER 67 Cb 0.60 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 3gpw h SER 67 CO 0.04 -0.11 0.65 -0.07 -0.53 0.00 0.00 176.83 176.81 3gpw h LEU 68 N -0.32 1.09 -0.45 2.23 4.07 -1.03 0.17 115.31 121.06 3gpw h LEU 68 Ca -0.03 -0.01 -0.16 0.00 0.08 0.00 0.00 57.88 57.76 3gpw h LEU 68 Cb 0.25 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 3gpw h LEU 68 CO 0.04 0.75 -0.50 0.22 -1.08 0.00 0.00 178.44 177.87 3gpw h TYR 69 N 1.26 0.90 -0.01 1.13 5.03 -0.88 -3.23 116.97 121.18 3gpw h TYR 69 Ca 0.39 -0.30 0.00 0.00 2.58 0.00 0.00 58.73 61.40 3gpw h TYR 69 Cb -0.01 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.09 3gpw h TYR 69 CO -0.00 1.08 -0.37 0.25 -1.32 0.00 0.00 178.16 177.80 3gpw n THR 70 N -4.00 0.00 -2.95 1.81 -2.24 0.08 -4.95 114.28 102.03 3gpw n THR 70 Ca -0.03 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 3gpw n THR 70 Cb 0.59 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.57 -5.78 -4.27 3.42 7.64 0.57 -4.98 113.62 109.65 3gpw n SER 71 Ca 0.10 -0.24 -0.15 0.00 1.01 0.00 0.00 58.87 59.59 3gpw n SER 71 Cb 0.38 -4.70 -0.10 0.00 -1.01 0.00 0.00 64.21 58.77 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 -5.63 1.15 0.37 1.43 0.52 -1.10 -5.05 118.95 110.64 3gpw s ARG 72 Ca 0.26 -1.54 -0.25 0.00 -0.52 0.00 0.00 55.73 53.68 3gpw s ARG 72 Cb -0.12 -0.52 -0.09 0.00 0.52 0.00 0.00 34.95 34.74 3gpw s ARG 72 CO 0.32 -0.03 1.08 -1.21 0.02 0.00 0.00 175.30 175.49 3gpw s GLU 73 N -3.83 4.24 0.47 3.54 0.41 -1.26 -4.56 118.70 117.71 3gpw s GLU 73 Ca 0.22 1.64 -0.23 0.00 -0.41 0.00 0.00 54.97 56.19 3gpw s GLU 73 Cb 0.04 -2.70 -0.07 0.00 -1.78 0.00 0.00 34.13 29.62 3gpw s GLU 73 CO 0.04 -0.11 1.24 -2.14 -0.49 0.00 0.00 175.26 173.80 3gpw s PRO 74 N -2.23 3.64 -0.03 0.39 0.02 -1.26 -4.86 135.00 130.66 3gpw s PRO 74 Ca 0.55 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3gpw s PRO 74 Cb -0.26 -2.43 -0.03 0.00 0.02 0.00 0.00 34.50 31.79 3gpw s PRO 74 CO 0.33 -0.71 -0.00 1.03 -0.33 0.00 0.00 177.00 177.32 3gpw s ARG 75 N -2.66 2.86 0.19 5.54 0.52 -1.26 -4.74 118.95 119.40 3gpw s ARG 75 Ca 0.64 -0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 55.20 3gpw s ARG 75 Cb -0.33 -2.71 0.20 0.00 0.52 0.00 0.00 34.95 32.62 3gpw s ARG 75 CO 0.41 0.65 1.77 0.28 0.02 0.00 0.00 175.30 178.43 3gpw h VAL 76 N 3.77 0.89 -0.06 3.52 2.07 -1.91 -0.25 116.25 124.28 3gpw h VAL 76 Ca -0.50 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3gpw h VAL 76 Cb 1.18 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3gpw h VAL 76 CO 0.56 0.09 0.09 -0.37 0.02 0.00 0.00 177.57 177.96 3gpw h VAL 77 N 0.49 0.40 -0.03 2.57 -1.51 -1.98 -0.55 116.25 115.63 3gpw h VAL 77 Ca 0.26 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.57 3gpw h VAL 77 Cb 0.22 0.93 0.01 0.00 -2.13 0.00 0.00 31.29 30.32 3gpw h VAL 77 CO -0.21 0.00 -0.61 0.28 -1.23 0.00 0.00 177.57 175.79 3gpw h SER 78 N 0.00 0.59 0.04 4.19 0.02 -1.46 -1.66 113.55 115.28 3gpw h SER 78 Ca 0.03 -0.72 -0.05 0.00 -0.84 0.00 0.00 61.79 60.20 3gpw h SER 78 Cb 0.20 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3gpw h SER 78 CO -0.00 1.23 -0.15 0.00 -1.14 0.00 0.00 176.83 176.77 3gpw h ALA 79 N 0.37 1.47 -0.36 3.77 0.00 -1.01 -1.41 119.26 122.09 3gpw h ALA 79 Ca -0.07 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 3gpw h ALA 79 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3gpw h ALA 79 CO 0.12 0.37 -0.39 1.25 0.00 0.00 0.00 179.25 180.61 3gpw h LEU 80 N 0.22 0.97 -0.27 0.00 5.85 -1.10 -0.79 115.31 120.19 3gpw h LEU 80 Ca 0.04 -0.47 -0.19 0.00 0.84 0.00 0.00 57.88 58.10 3gpw h LEU 80 Cb 0.41 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3gpw h LEU 80 CO 0.03 1.25 -0.60 -0.61 -0.34 0.00 0.00 178.44 178.16 3gpw h GLN 81 N 0.71 0.85 -0.36 1.25 5.75 -0.96 -1.31 115.11 121.05 3gpw h GLN 81 Ca 0.06 -0.57 -0.13 0.00 -0.15 0.00 0.00 58.65 57.85 3gpw h GLN 81 Cb 0.98 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 3gpw h GLN 81 CO 0.09 1.20 -0.30 0.52 -2.65 0.00 0.00 178.83 177.70 3gpw h MET 82 N 0.64 0.77 -0.08 1.69 2.86 -1.26 -2.14 114.93 117.41 3gpw h MET 82 Ca -0.00 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.26 3gpw h MET 82 Cb 1.21 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 3gpw h MET 82 CO 0.13 0.97 -0.06 -0.07 1.06 0.00 0.00 176.91 178.94 3gpw h LEU 83 N 0.65 0.19 -0.82 1.22 3.38 -1.10 -2.87 115.31 115.97 3gpw h LEU 83 Ca 0.07 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 3gpw h LEU 83 Cb 0.83 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3gpw h LEU 83 CO 0.07 0.60 -0.05 0.07 0.09 0.00 0.00 178.44 179.23 3gpw h LYS 84 N -0.23 0.84 0.00 1.13 2.10 -1.24 -0.37 116.57 118.81 3gpw h LYS 84 Ca 0.01 -0.25 -0.08 0.00 -2.00 0.00 0.00 60.65 58.33 3gpw h LYS 84 Cb 0.54 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 3gpw h LYS 84 CO 0.02 0.87 -0.39 1.96 -2.00 0.00 0.00 179.45 179.91 3gpw h GLN 85 N 0.77 0.00 0.00 0.07 4.20 -1.46 0.14 115.11 118.83 3gpw h GLN 85 Ca 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3gpw h GLN 85 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3gpw h GLN 85 CO 0.03 0.39 -0.09 1.25 -0.67 0.00 0.00 178.83 179.73 3gpw h HIS 86 N 0.00 0.09 -0.67 2.96 2.76 -1.25 -2.83 115.15 116.21 3gpw h HIS 86 Ca -0.00 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.06 3gpw h HIS 86 Cb 0.89 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 3gpw h HIS 86 CO 0.00 0.86 0.21 -0.07 -1.30 0.00 0.00 177.93 177.63 3gpw h LEU 87 N -0.71 0.95 -0.38 0.26 3.38 -0.99 -2.93 115.31 114.89 3gpw h LEU 87 Ca -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3gpw h LEU 87 Cb 0.89 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3gpw h LEU 87 CO 0.02 0.88 0.19 0.15 0.09 0.00 0.00 178.44 179.77 3gpw h PHE 88 N 0.98 0.53 -0.88 1.13 3.57 -0.79 -2.56 116.94 118.92 3gpw h PHE 88 Ca 0.22 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.85 3gpw h PHE 88 Cb 0.28 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.78 3gpw h PHE 88 CO 0.02 0.44 0.57 -0.22 -2.23 0.00 0.00 178.31 176.89 3gpw h LYS 89 N 0.47 0.63 -0.69 1.11 3.64 -1.33 -0.86 116.57 119.55 3gpw h LYS 89 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3gpw h LYS 89 Cb 0.10 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3gpw h LYS 89 CO -0.02 0.42 0.00 0.66 -2.27 0.00 0.00 179.45 178.24 3gpw n TYR 90 N -4.56 0.92 -3.99 1.91 4.01 -0.97 -4.94 117.16 109.54 3gpw n TYR 90 Ca 0.17 -0.34 -0.33 0.00 -0.16 0.00 0.00 57.90 57.24 3gpw n TYR 90 Cb 0.50 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.38 -1.05 -0.55 -0.72 1.13 -0.33 0.11 117.38 116.34 3gpw n GLN 91 Ca 0.14 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 3gpw n GLN 91 Cb 0.63 -4.29 0.00 0.00 0.11 0.00 0.00 30.24 26.69 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 -0.93 1.20 0.24 1.08 0.00 -1.23 -4.89 105.19 100.66 3gpw n GLY 93 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.93 1.61 3.86 -0.62 -3.35 115.15 113.71 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 0.12 0.42 0.86 0.00 0.00 177.93 179.33 3gpw s ILE 95 N -3.51 4.88 -0.77 2.45 -1.09 -1.26 -4.95 121.20 116.95 3gpw s ILE 95 Ca 0.03 -1.12 -0.06 0.00 -2.23 0.00 0.00 60.65 57.27 3gpw s ILE 95 Cb 0.08 -4.49 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 3gpw s ILE 95 CO 0.55 -1.12 1.93 0.61 -1.23 0.00 0.00 174.94 175.67 3gpw n GLY 96 N 5.23 2.85 3.44 6.18 0.00 -1.26 -4.69 105.19 116.94 3gpw n GLY 96 Ca -0.07 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 3.76 2.99 -0.17 4.61 0.00 -1.26 0.01 121.76 131.69 3gpw s ALA 97 Ca 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.34 3gpw s ALA 97 Cb 0.09 -1.70 0.04 0.00 0.00 0.00 0.00 23.12 21.54 3gpw s ALA 97 CO -0.02 -0.09 -0.10 0.71 0.00 0.00 0.00 175.76 176.26 3gpw s TYR 98 N 0.90 2.12 0.11 0.00 2.02 -0.24 -1.36 117.35 120.89 3gpw s TYR 98 Ca 0.00 -1.32 0.06 0.00 -0.37 0.00 0.00 57.07 55.44 3gpw s TYR 98 Cb -0.14 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 3gpw s TYR 98 CO 0.02 -0.68 -0.14 -0.51 -1.57 0.00 0.00 175.55 172.67 3gpw s LEU 99 N 1.50 2.37 -0.26 -1.29 1.43 -0.51 -0.24 118.68 121.69 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 -0.55 0.04 0.00 0.03 0.00 0.00 46.19 45.57 3gpw s LEU 99 CO -0.09 -0.13 -0.08 -0.63 0.23 0.00 0.00 176.35 175.66 3gpw s ILE 100 N -1.93 2.58 -0.19 -0.59 1.01 -0.26 -0.18 121.20 121.63 3gpw s ILE 100 Ca 0.06 -1.31 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 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 0.08 -0.03 0.54 0.00 0.00 0.00 174.94 175.56 3gpw s VAL 101 N 1.23 3.73 0.36 2.92 0.11 -0.50 -0.98 120.40 127.26 3gpw s VAL 101 Ca -0.04 -0.39 0.04 0.00 -2.93 0.00 0.00 61.98 58.66 3gpw s VAL 101 Cb -0.18 -2.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.97 3gpw s VAL 101 CO -0.05 0.45 0.14 0.00 -3.33 0.00 0.00 175.10 172.31 3gpw s ALA 102 N 0.94 2.50 0.00 1.54 0.00 -0.53 -1.00 121.76 125.21 3gpw s ALA 102 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 3gpw s ALA 102 Cb -0.14 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3gpw s ALA 102 CO 0.01 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3gpw n GLY 103 N -0.77 2.77 3.40 0.00 0.00 -1.03 -1.29 105.19 108.27 3gpw n GLY 103 Ca -0.03 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 2.39 0.35 1.61 -7.23 -0.53 -1.16 120.40 113.83 3gpw s VAL 104 Ca 0.00 -1.51 -0.10 0.00 -1.81 0.00 0.00 61.98 58.57 3gpw s VAL 104 Cb 0.00 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.95 3gpw s VAL 104 CO 0.00 0.22 0.61 1.51 -0.31 0.00 0.00 175.10 177.14 3gpw s ASP 105 N -1.70 0.40 0.64 4.85 3.84 -0.49 -4.71 116.67 119.50 3gpw s ASP 105 Ca 0.14 -1.26 0.21 0.00 -0.00 0.00 0.00 52.55 51.64 3gpw s ASP 105 Cb -0.10 0.74 1.03 0.00 -1.38 0.00 0.00 42.92 43.21 3gpw s ASP 105 CO 0.05 -1.45 1.56 -0.65 -0.00 0.00 0.00 175.17 174.69 3gpw h PRO 10 N 2.07 0.00 -0.03 2.11 0.11 -1.89 -0.34 132.00 134.04 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 -0.04 0.25 -0.21 0.00 0.00 178.00 178.38 3gpw n THR 106 N -2.98 0.00 0.00 -1.15 -2.24 -1.26 -5.08 114.28 101.57 3gpw n THR 106 Ca 0.04 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3gpw n THR 106 Cb 0.77 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 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 1.33 0.80 3.54 3.38 0.00 -0.14 -5.07 105.19 109.03 3gpw n GLY 107 Ca 0.14 -2.05 -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 4.56 0.12 1.61 1.04 -1.26 -1.39 113.70 114.37 3gpw s SER 108 Ca 0.00 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.40 3gpw s SER 108 Cb 0.00 -1.27 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 3gpw s SER 108 CO 0.00 0.31 -0.13 -1.00 0.98 0.00 0.00 173.24 173.40 3gpw s HIS 109 N -0.52 1.32 -0.12 5.02 3.76 -0.31 -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 54.37 3gpw s HIS 109 Cb -0.12 -0.69 0.06 0.00 1.11 0.00 0.00 32.58 32.94 3gpw s HIS 109 CO 0.02 0.11 0.18 -1.17 -0.85 0.00 0.00 174.74 173.03 3gpw s LEU 110 N -2.48 -0.07 0.28 0.89 2.96 -1.26 -2.46 118.68 116.55 3gpw s LEU 110 Ca 0.08 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 3gpw s LEU 110 Cb -0.04 0.29 -0.04 0.00 0.50 0.00 0.00 46.19 46.90 3gpw s LEU 110 CO 0.02 -0.27 0.16 -0.36 -1.32 0.00 0.00 176.35 174.58 3gpw s PHE 111 N 2.30 1.54 -0.01 5.38 0.08 -0.17 -3.60 117.98 123.50 3gpw s PHE 111 Ca 0.04 -1.37 -0.02 0.00 0.12 0.00 0.00 56.93 55.70 3gpw s PHE 111 Cb -0.13 -0.81 -0.00 0.00 -0.57 0.00 0.00 43.02 41.51 3gpw s PHE 111 CO -0.08 -0.54 0.04 -1.54 -0.10 0.00 0.00 175.22 173.00 3gpw s SER 112 N -3.33 0.02 0.02 1.36 1.04 -0.84 -1.41 113.70 110.56 3gpw s SER 112 Ca 0.37 -0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.79 3gpw s SER 112 Cb 0.05 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 3gpw s SER 112 CO 0.17 -0.11 -0.19 -0.63 0.98 0.00 0.00 173.24 173.46 3gpw s ILE 113 N -0.44 1.48 0.18 -1.02 1.09 0.75 -1.59 121.20 121.66 3gpw s ILE 113 Ca -0.05 -0.99 0.07 0.00 -1.10 0.00 0.00 60.65 58.58 3gpw s ILE 113 Cb -0.03 -1.27 -0.04 0.00 -1.06 0.00 0.00 42.46 40.06 3gpw s ILE 113 CO -0.00 0.26 0.05 -1.00 -0.10 0.00 0.00 174.94 174.15 3gpw s HIS 114 N -0.64 2.93 0.34 3.97 3.76 -0.46 -1.42 115.29 123.76 3gpw s HIS 114 Ca 0.06 -0.11 0.14 0.00 -0.15 0.00 0.00 55.06 55.00 3gpw s HIS 114 Cb -0.08 -1.40 1.07 0.00 1.11 0.00 0.00 32.58 33.28 3gpw s HIS 114 CO 0.01 0.53 1.65 0.00 -0.85 0.00 0.00 174.74 176.08 3gpw h ALA 115 N 2.48 1.89 0.00 -1.40 0.00 -1.50 0.41 119.26 121.15 3gpw h ALA 115 Ca -0.47 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gpw h ALA 115 Cb 1.21 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3gpw h ALA 115 CO 0.60 -0.60 0.00 0.72 0.00 0.00 0.00 179.25 179.97 3gpw n HIS 116 N -5.09 0.18 0.00 0.00 8.25 -1.26 -3.53 115.22 113.77 3gpw n HIS 116 Ca 0.31 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 3gpw n HIS 116 Cb 0.98 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 0.47 1.09 3.86 -1.41 0.00 0.14 -3.96 105.19 105.39 3gpw n GLY 117 Ca 0.04 0.00 -0.33 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 -2.01 6.69 0.21 1.61 1.04 -1.25 -4.80 113.70 115.19 3gpw s SER 118 Ca 0.00 0.99 0.10 0.00 0.48 0.00 0.00 55.95 57.52 3gpw s SER 118 Cb 0.00 -2.26 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 3gpw s SER 118 CO 0.00 -0.03 -0.19 0.42 0.98 0.00 0.00 173.24 174.42 3gpw s THR 119 N -1.73 2.06 0.03 2.02 -4.23 -1.26 -1.36 115.64 111.16 3gpw s THR 119 Ca 0.45 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.80 3gpw s THR 119 Cb -0.12 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 3gpw s THR 119 CO 0.20 -0.38 0.01 -1.81 -0.54 0.00 0.00 174.62 172.11 3gpw s ASP 120 N -3.06 0.25 0.01 3.99 1.01 -0.62 -4.97 116.67 113.28 3gpw s ASP 120 Ca 0.22 -0.57 0.07 0.00 0.71 0.00 0.00 52.55 52.99 3gpw s ASP 120 Cb -0.05 0.16 -0.02 0.00 1.01 0.00 0.00 42.92 44.02 3gpw s ASP 120 CO 0.09 -0.41 -0.23 0.54 0.21 0.00 0.00 175.17 175.38 3gpw s VAL 121 N -2.14 1.82 0.16 -1.27 0.11 -1.26 -1.98 120.40 115.85 3gpw s VAL 121 Ca -0.09 -1.10 -0.24 0.00 -2.93 0.00 0.00 61.98 57.62 3gpw s VAL 121 Cb -0.05 -1.54 0.07 0.00 -1.53 0.00 0.00 36.38 33.34 3gpw s VAL 121 CO -0.03 0.41 1.03 -0.83 -3.33 0.00 0.00 175.10 172.35 3gpw s GLY 122 N -0.82 -0.04 0.10 6.54 0.00 -1.24 -5.03 107.32 106.83 3gpw s GLY 122 Ca 0.09 -0.11 0.18 0.00 0.00 0.00 0.00 44.72 44.88 3gpw s GLY 122 CO 0.00 1.41 0.91 -0.97 0.00 0.00 0.00 173.10 174.46 3gpw h TYR 123 N 2.00 0.00 -3.32 1.90 -1.99 -1.93 -3.43 116.97 110.19 3gpw h TYR 123 Ca -0.27 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.27 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 0.94 0.48 -0.54 1.52 -0.00 0.00 0.00 178.16 180.57 3gpw s TYR 124 N -3.00 -0.18 0.10 4.88 1.13 -1.26 -0.34 117.35 118.68 3gpw s TYR 124 Ca -0.02 0.45 -0.14 0.00 -1.41 0.00 0.00 57.07 55.95 3gpw s TYR 124 Cb 0.09 0.04 0.02 0.00 -1.10 0.00 0.00 41.96 41.01 3gpw s TYR 124 CO 0.80 -0.10 0.33 -0.51 -2.51 0.00 0.00 175.55 173.56 3gpw s LEU 125 N 0.25 0.75 -0.03 -3.49 1.43 -0.34 -4.97 118.68 112.27 3gpw s LEU 125 Ca -0.01 -0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 3gpw s LEU 125 Cb -0.03 1.54 0.06 0.00 0.03 0.00 0.00 46.19 47.79 3gpw s LEU 125 CO -0.01 -0.77 0.57 -0.94 0.23 0.00 0.00 176.35 175.44 3gpw s SER 126 N -2.63 -0.52 0.11 2.29 1.04 -1.26 -0.43 113.70 112.30 3gpw s SER 126 Ca 0.01 0.52 -0.02 0.00 0.48 0.00 0.00 55.95 56.94 3gpw s SER 126 Cb 0.02 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 3gpw s SER 126 CO -0.10 -0.57 0.06 -0.76 0.98 0.00 0.00 173.24 172.85 3gpw s LEU 127 N -1.28 1.88 0.00 2.42 1.43 -0.30 -4.89 118.68 117.95 3gpw s LEU 127 Ca -0.11 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 3gpw s LEU 127 Cb -0.01 0.38 0.00 0.00 0.03 0.00 0.00 46.19 46.58 3gpw s LEU 127 CO 0.08 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.56 3gpw n GLY 128 N -0.05 1.14 0.32 -3.19 0.00 -1.26 -2.09 105.19 100.06 3gpw n GLY 128 Ca -0.08 -2.11 0.21 0.00 0.00 0.00 0.00 46.02 44.04 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 0.40 1.61 4.64 -1.48 0.19 113.55 118.91 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 0.01 -0.40 0.61 -0.87 0.00 0.00 176.83 176.18 3gpw n GLY 130 N -0.87 -1.00 0.28 -0.77 0.00 0.14 -4.46 105.19 98.50 3gpw n GLY 130 Ca -0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.17 -0.50 0.03 1.61 2.88 0.65 -1.05 113.62 116.08 3gpw n SER 131 Ca 0.08 1.25 -0.04 0.00 -1.33 0.00 0.00 58.87 58.83 3gpw n SER 131 Cb 0.34 -0.27 0.19 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.45 -0.11 2.46 4.07 -1.79 0.11 115.31 120.50 3gpw h LEU 132 Ca 0.23 -0.17 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 3gpw h LEU 132 Cb 0.41 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 3gpw h LEU 132 CO -0.70 0.74 -0.11 0.00 -1.08 0.00 0.00 178.44 177.29 3gpw h ALA 133 N 1.29 0.16 0.39 1.53 0.00 -1.40 -2.21 119.26 119.02 3gpw h ALA 133 Ca 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3gpw h ALA 133 Cb 0.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3gpw h ALA 133 CO 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.06 3gpw h ALA 134 N 0.58 -0.61 -0.89 0.00 0.00 -1.19 -2.67 119.26 114.48 3gpw h ALA 134 Ca 0.02 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3gpw h ALA 134 Cb 0.63 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 3gpw h ALA 134 CO 0.03 -0.86 0.57 1.98 0.00 0.00 0.00 179.25 180.97 3gpw h MET 135 N -0.62 0.79 -0.59 0.00 -1.53 -0.84 -0.30 114.93 111.83 3gpw h MET 135 Ca -0.04 -0.05 0.05 0.00 -3.44 0.00 0.00 59.70 56.22 3gpw h MET 135 Cb 0.52 -0.18 -0.05 0.00 -0.55 0.00 0.00 31.60 31.34 3gpw h MET 135 CO 0.03 0.52 0.32 0.00 0.14 0.00 0.00 176.91 177.93 3gpw h ALA 136 N 1.57 0.77 -0.39 0.39 0.00 -1.06 0.22 119.26 120.76 3gpw h ALA 136 Ca 0.42 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 3gpw h ALA 136 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3gpw h ALA 136 CO -0.19 0.01 0.09 0.28 0.00 0.00 0.00 179.25 179.44 3gpw h VAL 137 N 0.62 1.23 -0.64 0.00 2.07 -0.88 -2.38 116.25 116.27 3gpw h VAL 137 Ca 0.26 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3gpw h VAL 137 Cb 0.13 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3gpw h VAL 137 CO -0.15 0.27 0.31 -0.07 0.02 0.00 0.00 177.57 177.94 3gpw h LEU 138 N 0.48 0.85 -1.59 2.57 3.38 -0.57 -0.08 115.31 120.35 3gpw h LEU 138 Ca 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gpw h LEU 138 Cb 0.31 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3gpw h LEU 138 CO 0.00 0.74 0.00 -0.33 0.09 0.00 0.00 178.44 178.95 3gpw h GLU 139 N 0.89 0.00 0.00 1.13 4.39 -0.48 -1.18 114.58 119.33 3gpw h GLU 139 Ca 0.22 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.77 3gpw h GLU 139 Cb 0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3gpw h GLU 139 CO -0.03 0.00 -1.73 0.43 -1.16 0.00 0.00 179.01 176.53 3gpw n SER 140 N -2.87 0.46 0.00 1.42 7.64 -0.56 -4.66 113.62 115.06 3gpw n SER 140 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3gpw n SER 140 Cb 0.23 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 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 -2.68 0.00 -1.37 1.43 8.25 -0.15 -5.06 115.22 115.64 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 0.81 0.00 0.09 0.00 1.12 0.00 0.00 29.99 32.01 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 -0.92 2.27 -0.00 4.41 -0.00 -0.46 -5.04 118.94 119.20 3gpw s TRP 142 Ca 0.00 1.61 -0.28 0.00 -0.00 0.00 0.00 56.10 57.43 3gpw s TRP 142 Cb 0.00 -3.26 0.10 0.00 -0.00 0.00 0.00 33.47 30.31 3gpw s TRP 142 CO 0.00 -2.17 0.82 -1.59 -0.00 0.00 0.00 176.95 174.01 3gpw s LYS 143 N -4.32 0.90 0.41 5.86 -2.85 -1.26 -5.02 119.74 113.47 3gpw s LYS 143 Ca 0.68 -0.19 -0.22 0.00 -1.00 0.00 0.00 55.97 55.24 3gpw s LYS 143 Cb -0.23 0.42 -0.10 0.00 -2.06 0.00 0.00 37.83 35.86 3gpw s LYS 143 CO 0.49 -0.37 0.96 -1.14 0.10 0.00 0.00 175.35 175.39 3gpw s GLN 144 N -2.65 4.29 -0.32 1.78 0.74 -1.26 -4.18 119.66 118.05 3gpw s GLN 144 Ca 0.01 1.20 -0.00 0.00 0.05 0.00 0.00 55.36 56.62 3gpw s GLN 144 Cb -0.01 -2.34 0.00 0.00 1.10 0.00 0.00 33.01 31.77 3gpw s GLN 144 CO -0.06 0.01 0.27 -0.25 -0.55 0.00 0.00 175.29 174.71 3gpw n ASP 145 N -0.35 -2.10 -4.82 6.67 10.43 -1.26 -5.04 116.55 120.08 3gpw n ASP 145 Ca 0.06 -0.16 -0.34 0.00 2.57 0.00 0.00 54.79 56.92 3gpw n ASP 145 Cb 0.53 -1.71 -0.07 0.00 1.84 0.00 0.00 41.12 41.71 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 -3.10 4.05 0.58 0.64 1.43 -1.26 -4.79 118.68 116.23 3gpw s LEU 146 Ca 0.01 1.66 -0.05 0.00 -1.03 0.00 0.00 54.13 54.72 3gpw s LEU 146 Cb -0.01 -4.34 0.01 0.00 0.03 0.00 0.00 46.19 41.88 3gpw s LEU 146 CO 0.19 -0.27 0.88 0.42 0.23 0.00 0.00 176.35 177.80 3gpw s THR 147 N -2.02 3.55 0.21 5.49 -4.23 -1.26 -0.64 115.64 116.75 3gpw s THR 147 Ca 0.58 -0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 60.89 3gpw s THR 147 Cb -0.11 -3.40 0.16 0.00 1.34 0.00 0.00 72.50 70.49 3gpw s THR 147 CO 0.16 -0.40 1.71 0.50 -0.54 0.00 0.00 174.62 176.05 3gpw h LYS 148 N -0.13 0.27 -0.44 3.99 3.64 -1.97 0.26 116.57 122.19 3gpw h LYS 148 Ca -0.45 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 3gpw h LYS 148 Cb 1.26 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 3gpw h LYS 148 CO 0.60 0.18 -0.03 0.93 -2.27 0.00 0.00 179.45 178.86 3gpw h GLU 149 N 0.28 0.74 -0.16 1.90 3.07 -2.00 -1.50 114.58 116.93 3gpw h GLU 149 Ca 0.32 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3gpw h GLU 149 Cb 0.47 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3gpw h GLU 149 CO -0.39 0.78 -0.05 0.93 -1.40 0.00 0.00 179.01 178.87 3gpw h GLU 150 N 0.69 0.31 -0.52 2.33 5.08 -1.69 -2.16 114.58 118.62 3gpw h GLU 150 Ca 0.13 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3gpw h GLU 150 Cb 0.47 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 3gpw h GLU 150 CO 0.02 0.61 0.24 0.00 -1.00 0.00 0.00 179.01 178.89 3gpw h ALA 151 N 0.69 0.67 -0.17 3.43 0.00 -0.79 0.24 119.26 123.33 3gpw h ALA 151 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gpw h ALA 151 Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3gpw h ALA 151 CO 0.02 -0.12 0.04 0.82 0.00 0.00 0.00 179.25 180.01 3gpw h ILE 152 N 0.47 0.93 -0.08 0.00 2.04 -1.20 0.20 117.51 119.87 3gpw h ILE 152 Ca 0.24 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 66.09 3gpw h ILE 152 Cb 0.19 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3gpw h ILE 152 CO -0.19 0.02 -0.10 0.50 0.00 0.00 0.00 178.15 178.38 3gpw h LYS 153 N 0.12 -0.12 -0.07 2.37 3.11 -0.68 0.22 116.57 121.51 3gpw h LYS 153 Ca 0.08 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.95 3gpw h LYS 153 Cb 0.06 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.29 3gpw h LYS 153 CO -0.09 -0.08 -0.09 1.25 -2.81 0.00 0.00 179.45 177.63 3gpw h LEU 154 N -0.13 -0.27 -0.30 5.20 5.85 -0.26 0.16 115.31 125.57 3gpw h LEU 154 Ca 0.06 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3gpw h LEU 154 Cb 0.22 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3gpw h LEU 154 CO -0.16 -0.12 0.18 0.00 -0.34 0.00 0.00 178.44 178.00 3gpw h ALA 155 N 0.93 0.38 -0.80 1.25 0.00 -0.70 -0.96 119.26 119.35 3gpw h ALA 155 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3gpw h ALA 155 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3gpw h ALA 155 CO -0.14 -0.13 0.45 1.03 0.00 0.00 0.00 179.25 180.46 3gpw h SER 156 N 0.38 0.99 -0.43 0.00 0.87 -0.27 -2.19 113.55 112.90 3gpw h SER 156 Ca 0.11 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.47 3gpw h SER 156 Cb -0.00 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3gpw h SER 156 CO -0.02 0.79 -0.19 0.44 -0.53 0.00 0.00 176.83 177.32 3gpw h ASP 157 N 1.12 0.94 -0.91 6.23 3.45 -0.34 -2.32 116.42 124.59 3gpw h ASP 157 Ca 0.29 -0.34 0.01 0.00 0.43 0.00 0.00 57.03 57.41 3gpw h ASP 157 Cb 0.01 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 38.48 3gpw h ASP 157 CO -0.05 1.10 0.59 0.00 -1.57 0.00 0.00 179.24 179.31 3gpw h ALA 158 N 0.97 1.16 -0.23 3.45 0.00 -0.59 -1.43 119.26 122.58 3gpw h ALA 158 Ca 0.11 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3gpw h ALA 158 Cb 0.74 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gpw h ALA 158 CO 0.06 0.57 -0.44 0.82 0.00 0.00 0.00 179.25 180.26 3gpw h ILE 159 N 1.24 1.30 -0.90 0.00 5.03 -1.30 -2.80 117.51 120.09 3gpw h ILE 159 Ca 0.33 -1.63 0.02 0.00 -0.12 0.00 0.00 64.86 63.47 3gpw h ILE 159 Cb -0.12 1.60 -0.05 0.00 -3.03 0.00 0.00 36.82 35.22 3gpw h ILE 159 CO -0.07 0.51 0.59 1.56 -0.68 0.00 0.00 178.15 180.06 3gpw h GLN 160 N 0.47 1.13 -0.80 2.37 4.20 -0.82 0.26 115.11 121.92 3gpw h GLN 160 Ca 0.03 -0.07 0.13 0.00 0.06 0.00 0.00 58.65 58.81 3gpw h GLN 160 Cb 0.96 -0.26 -0.09 0.00 0.30 0.00 0.00 27.48 28.39 3gpw h GLN 160 CO 0.09 0.75 0.39 0.00 -0.67 0.00 0.00 178.83 179.39 3gpw h ALA 161 N 1.36 1.17 -0.12 3.87 0.00 -1.02 -0.64 119.26 123.88 3gpw h ALA 161 Ca 0.35 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 3gpw h ALA 161 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gpw h ALA 161 CO -0.10 -0.10 -0.27 0.78 0.00 0.00 0.00 179.25 179.56 3gpw h GLY 162 N 0.59 0.44 0.29 0.00 0.00 -0.99 -0.12 103.07 103.28 3gpw h GLY 162 Ca 0.43 -0.53 0.06 0.00 0.00 0.00 0.00 47.33 47.29 3gpw h GLY 162 CO -0.35 0.48 -0.15 -2.22 0.00 0.00 0.00 176.54 174.30 3gpw h ILE 163 N -0.02 0.55 -0.02 2.60 2.04 0.23 0.42 117.51 123.31 3gpw h ILE 163 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3gpw h ILE 163 Cb 0.87 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3gpw h ILE 163 CO 0.06 0.00 -0.19 -0.50 0.00 0.00 0.00 178.15 177.52 3gpw h TRP 164 N -0.12 0.24 0.00 1.37 -0.00 -1.20 -3.37 115.95 112.86 3gpw h TRP 164 Ca 0.14 -0.11 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 3gpw h TRP 164 Cb 0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.46 3gpw h TRP 164 CO -0.33 0.86 -0.64 -0.91 -0.00 0.00 0.00 178.44 177.42 3gpw h ASN 165 N -0.45 0.00 -3.30 -3.49 4.21 -0.96 -3.46 115.58 108.14 3gpw h ASN 165 Ca -0.02 -0.02 -0.63 0.00 1.21 0.00 0.00 56.30 56.84 3gpw h ASN 165 Cb 0.89 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 37.89 3gpw h ASN 165 CO 0.04 0.01 -0.65 -0.62 -1.29 0.00 0.00 177.43 174.92 3gpw s ASP 166 N -5.53 4.95 0.48 5.81 2.15 0.15 -4.97 116.67 119.72 3gpw s ASP 166 Ca 0.03 -0.09 0.29 0.00 0.43 0.00 0.00 52.55 53.21 3gpw s ASP 166 Cb 0.08 -1.81 0.93 0.00 -0.30 0.00 0.00 42.92 41.83 3gpw s ASP 166 CO 0.74 0.18 1.82 -0.07 -0.17 0.00 0.00 175.17 177.67 3gpw h LEU 167 N 6.66 0.00 -0.14 -1.34 3.38 -1.86 -2.54 115.31 119.46 3gpw h LEU 167 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 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 -0.03 0.61 0.09 0.00 0.00 178.44 179.75 3gpw n GLY 168 N 0.49 -0.97 3.24 0.83 0.00 -1.26 -4.83 105.19 102.69 3gpw n GLY 168 Ca 0.02 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.27 1.65 0.00 1.61 0.01 -0.96 -0.25 113.70 113.49 3gpw s SER 169 Ca 0.37 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.61 3gpw s SER 169 Cb 0.21 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.45 3gpw s SER 169 CO 0.42 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.30 3gpw n GLY 170 N -0.18 -1.21 7.00 3.44 0.00 -1.26 -4.62 105.19 108.37 3gpw n GLY 170 Ca -0.10 -0.96 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 1.11 0.00 -4.93 1.61 7.64 -1.26 -2.58 113.62 115.21 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 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 4.70 -0.16 6.43 0.02 -1.26 -4.36 114.94 116.30 3gpw s ASN 172 Ca 0.00 -1.20 0.01 0.00 -1.02 0.00 0.00 52.86 50.65 3gpw s ASN 172 Cb 0.00 0.45 0.01 0.00 0.02 0.00 0.00 41.25 41.74 3gpw s ASN 172 CO 0.00 -1.18 -0.20 -0.69 0.02 0.00 0.00 177.10 175.06 3gpw s VAL 173 N -2.77 2.18 -0.08 1.60 1.01 -0.68 -2.08 120.40 119.58 3gpw s VAL 173 Ca 0.38 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3gpw s VAL 173 Cb -0.03 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3gpw s VAL 173 CO 0.24 0.54 0.00 -1.81 0.00 0.00 0.00 175.10 174.07 3gpw s ASP 174 N 1.06 5.25 0.09 3.32 1.01 -0.10 -0.54 116.67 126.76 3gpw s ASP 174 Ca -0.01 0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.42 3gpw s ASP 174 Cb -0.14 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.28 3gpw s ASP 174 CO -0.07 0.37 -0.09 -0.69 0.21 0.00 0.00 175.17 174.90 3gpw s VAL 175 N -0.90 0.86 -0.12 -1.27 1.01 -0.48 -1.21 120.40 118.28 3gpw s VAL 175 Ca 0.14 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.41 3gpw s VAL 175 Cb -0.11 -1.37 0.06 0.00 0.00 0.00 0.00 36.38 34.95 3gpw s VAL 175 CO 0.03 -0.61 0.25 0.00 0.00 0.00 0.00 175.10 174.76 3gpw s VAL 177 N 2.19 4.13 -0.30 0.00 1.01 -0.05 -1.53 120.40 125.85 3gpw s VAL 177 Ca -0.01 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3gpw s VAL 177 Cb -0.12 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.50 3gpw s VAL 177 CO -0.08 0.46 -0.03 -0.04 0.00 0.00 0.00 175.10 175.42 3gpw s MET 178 N 0.56 1.79 -0.13 2.72 -1.94 -0.05 -0.01 119.30 122.23 3gpw s MET 178 Ca -0.01 -1.54 -0.06 0.00 -1.71 0.00 0.00 55.69 52.37 3gpw s MET 178 Cb -0.14 -2.97 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 3gpw s MET 178 CO 0.02 -0.75 0.08 -2.00 -0.01 0.00 0.00 175.02 172.36 3gpw s GLU 179 N 1.06 3.46 0.36 2.03 2.12 -1.26 -1.22 118.70 125.25 3gpw s GLU 179 Ca 0.01 -0.26 0.19 0.00 0.36 0.00 0.00 54.97 55.27 3gpw s GLU 179 Cb -0.19 -3.09 1.27 0.00 0.26 0.00 0.00 34.13 32.38 3gpw s GLU 179 CO -0.07 0.63 1.58 0.82 -0.54 0.00 0.00 175.26 177.68 3gpw h ILE 180 N 4.25 0.00 -0.00 -3.70 1.08 -1.38 -2.24 117.51 115.52 3gpw h ILE 180 Ca -0.49 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 3gpw h ILE 180 Cb 1.20 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 3gpw h ILE 180 CO 0.61 0.00 -0.66 0.61 -0.69 0.00 0.00 178.15 178.01 3gpw n GLY 181 N -1.29 -0.40 1.85 5.37 0.00 -1.26 -4.94 105.19 104.52 3gpw n GLY 181 Ca 0.36 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.06 1.23 -2.33 1.61 5.02 -0.84 -5.12 118.16 116.67 3gpw n LYS 182 Ca 0.04 -1.77 -0.33 0.00 -2.02 0.00 0.00 58.31 54.23 3gpw n LYS 182 Cb 0.28 0.33 -0.02 0.00 -0.02 0.00 0.00 35.03 35.60 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 -2.50 6.25 0.20 4.39 -0.00 -1.26 -4.61 116.67 119.14 3gpw s ASP 183 Ca 0.08 1.76 -0.30 0.00 -0.00 0.00 0.00 52.55 54.10 3gpw s ASP 183 Cb -0.01 -2.53 -0.08 0.00 -0.00 0.00 0.00 42.92 40.30 3gpw s ASP 183 CO 0.05 -0.84 1.10 0.00 -0.00 0.00 0.00 175.17 175.48 3gpw s ALA 184 N -2.36 3.38 -0.23 5.23 0.00 -1.26 -4.57 121.76 121.95 3gpw s ALA 184 Ca 0.63 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 53.39 3gpw s ALA 184 Cb -0.14 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3gpw s ALA 184 CO 0.29 -0.19 -0.06 -1.83 0.00 0.00 0.00 175.76 173.97 3gpw s GLU 185 N -0.58 3.14 -0.29 0.00 -1.05 0.98 -4.96 118.70 115.95 3gpw s GLU 185 Ca 0.48 -0.77 -0.21 0.00 -0.15 0.00 0.00 54.97 54.32 3gpw s GLU 185 Cb -0.30 -2.97 -0.01 0.00 -0.44 0.00 0.00 34.13 30.41 3gpw s GLU 185 CO 0.36 -0.28 0.68 -0.47 0.95 0.00 0.00 175.26 176.50 3gpw s TYR 186 N 1.41 3.24 -0.79 4.83 5.04 -1.26 -0.87 117.35 128.94 3gpw s TYR 186 Ca 0.04 0.74 -0.04 0.00 -2.44 0.00 0.00 57.07 55.37 3gpw s TYR 186 Cb -0.15 -2.99 0.20 0.00 0.35 0.00 0.00 41.96 39.37 3gpw s TYR 186 CO -0.04 -0.44 0.66 -0.51 -1.34 0.00 0.00 175.55 173.87 3gpw s LEU 187 N 2.66 5.60 -0.04 6.97 1.43 0.20 -4.99 118.68 130.52 3gpw s LEU 187 Ca 0.28 -3.26 -0.30 0.00 -1.03 0.00 0.00 54.13 49.82 3gpw s LEU 187 Cb -0.15 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 3gpw s LEU 187 CO 0.11 -0.31 1.38 -0.60 0.23 0.00 0.00 176.35 177.16 3gpw s ARG 189 N -0.67 4.27 -1.12 1.70 6.06 -1.26 -1.38 118.95 126.56 3gpw s ARG 189 Ca 0.22 1.91 -0.03 0.00 -2.50 0.00 0.00 55.73 55.34 3gpw s ARG 189 Cb -0.13 -3.64 0.00 0.00 0.06 0.00 0.00 34.95 31.24 3gpw s ARG 189 CO -0.08 -0.60 0.95 0.09 -2.50 0.00 0.00 175.30 173.15 3gpw n ASN 190 N 5.70 -3.30 0.19 -2.12 4.13 -1.24 -4.87 115.26 113.74 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 -4.60 0.79 0.00 -1.54 0.00 0.00 39.78 34.87 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 -1.93 0.00 -3.51 3.10 5.03 -0.76 -3.40 116.97 115.49 3gpw h TYR 191 Ca -0.52 0.00 -0.24 0.00 2.58 0.00 0.00 58.73 60.56 3gpw h TYR 191 Cb 1.31 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 0.00 178.16 176.09 3gpw s LEU 192 N -8.02 1.45 -0.44 2.82 1.43 -1.07 -5.00 118.68 109.85 3gpw s LEU 192 Ca -0.05 0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 3gpw s LEU 192 Cb 0.16 0.19 0.25 0.00 0.03 0.00 0.00 46.19 46.82 3gpw s LEU 192 CO 0.60 -0.06 0.56 0.35 0.23 0.00 0.00 176.35 178.03 3gpw n THR 193 N 3.47 -0.06 1.54 5.49 -2.24 -1.26 -1.69 114.28 119.54 3gpw n THR 193 Ca -0.18 -4.26 0.01 0.00 -2.27 0.00 0.00 64.05 57.36 3gpw n THR 193 Cb 0.56 -1.98 0.04 0.00 -2.10 0.00 0.00 70.33 66.85 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 1.32 1.24 -2.58 -0.78 -0.04 -1.26 -4.25 135.00 128.65 3gpw n PRO 194 Ca 0.23 -0.31 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 3gpw n PRO 194 Cb 0.50 -1.17 0.02 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.19 2.71 -4.74 3.54 3.02 -1.26 -5.08 115.26 113.25 3gpw n ASN 195 Ca 0.03 -3.05 -0.41 0.00 -0.03 0.00 0.00 54.58 51.12 3gpw n ASN 195 Cb 0.13 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 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 -4.05 3.56 0.23 2.41 1.01 -1.26 -4.98 120.40 117.32 3gpw s VAL 196 Ca 0.35 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 3gpw s VAL 196 Cb 0.43 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 3gpw s VAL 196 CO -0.04 0.24 1.23 -0.60 0.00 0.00 0.00 175.10 175.92 3gpw s ARG 197 N -0.50 4.47 0.73 2.72 3.00 -1.26 -5.00 118.95 123.10 3gpw s ARG 197 Ca 0.51 1.97 -0.12 0.00 -1.00 0.00 0.00 55.73 57.08 3gpw s ARG 197 Cb -0.32 -3.19 0.03 0.00 0.00 0.00 0.00 34.95 31.47 3gpw s ARG 197 CO 0.38 -0.09 1.10 -1.83 0.00 0.00 0.00 175.30 174.86 3gpw s GLU 198 N -0.71 2.47 0.25 5.12 -1.05 -1.26 -4.93 118.70 118.58 3gpw s GLU 198 Ca 0.51 1.25 -0.31 0.00 -0.15 0.00 0.00 54.97 56.28 3gpw s GLU 198 Cb -0.35 -1.92 -0.11 0.00 -0.44 0.00 0.00 34.13 31.32 3gpw s GLU 198 CO 0.41 -1.49 1.58 -2.00 0.95 0.00 0.00 175.26 174.70 3gpw s GLU 199 N -4.60 4.17 0.93 -4.83 2.12 -1.26 -4.94 118.70 110.29 3gpw s GLU 199 Ca 0.63 2.48 -0.10 0.00 0.36 0.00 0.00 54.97 58.34 3gpw s GLU 199 Cb -0.18 -3.07 0.15 0.00 0.26 0.00 0.00 34.13 31.28 3gpw s GLU 199 CO 0.51 -0.60 1.10 1.63 -0.54 0.00 0.00 175.26 177.36 3gpw n LYS 200 N 2.84 -0.56 0.15 4.30 5.02 -1.26 -4.90 118.16 123.75 3gpw n LYS 200 Ca 0.10 -0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3gpw n LYS 200 Cb 0.38 -2.34 0.28 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 -3.44 1.97 5.75 -2.06 -3.47 115.11 111.94 3gpw h GLN 201 Ca -0.44 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.02 3gpw h GLN 201 Cb 1.27 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.72 3gpw h GLN 201 CO 0.41 0.00 -0.05 0.21 -2.65 0.00 0.00 178.83 176.75 3gpw s LYS 202 N -3.16 1.32 -0.12 1.69 2.20 -1.26 -5.15 119.74 115.27 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 36.86 3gpw s LYS 202 CO 0.64 -0.55 0.04 0.45 -0.36 0.00 0.00 175.35 175.57 3gpw s SER 203 N -2.89 5.48 -0.25 1.43 0.15 -1.26 -5.00 113.70 111.36 3gpw s SER 203 Ca 0.11 0.16 0.13 0.00 0.70 0.00 0.00 55.95 57.05 3gpw s SER 203 Cb 0.00 -1.71 0.61 0.00 -1.71 0.00 0.00 66.02 63.21 3gpw s SER 203 CO -0.02 0.32 1.57 -1.22 1.20 0.00 0.00 173.24 175.09 3gpw n TYR 204 N 2.54 1.50 -1.87 3.44 4.01 -1.26 -4.96 117.16 120.55 3gpw n TYR 204 Ca -0.18 -1.09 -0.42 0.00 -0.16 0.00 0.00 57.90 56.04 3gpw n TYR 204 Cb 0.53 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 -2.95 4.17 0.29 -0.72 2.20 -1.26 -4.96 119.74 116.50 3gpw s LYS 205 Ca 0.47 2.37 -0.18 0.00 -0.36 0.00 0.00 55.97 58.27 3gpw s LYS 205 Cb 0.39 -3.93 -0.09 0.00 -1.51 0.00 0.00 37.83 32.69 3gpw s LYS 205 CO 0.09 -0.85 0.76 -0.06 -0.36 0.00 0.00 175.35 174.93 3gpw s PHE 206 N 3.76 3.50 0.27 4.03 0.08 -1.26 -5.03 117.98 123.33 3gpw s PHE 206 Ca 0.78 1.35 -0.29 0.00 0.12 0.00 0.00 56.93 58.89 3gpw s PHE 206 Cb -0.38 -2.62 -0.09 0.00 -0.57 0.00 0.00 43.02 39.36 3gpw s PHE 206 CO 0.34 0.18 1.20 -1.25 -0.10 0.00 0.00 175.22 175.60 3gpw s PRO 207 N -2.53 4.50 0.35 0.24 0.04 -1.26 -4.93 135.00 131.41 3gpw s PRO 207 Ca 0.50 1.97 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 3gpw s PRO 207 Cb -0.13 -3.16 -0.11 0.00 0.04 0.00 0.00 34.50 31.13 3gpw s PRO 207 CO 0.19 -0.02 1.50 0.54 0.04 0.00 0.00 177.00 179.25 3gpw n ARG 208 N 1.48 2.63 -0.04 4.56 1.74 -1.26 -2.01 116.66 123.77 3gpw n ARG 208 Ca 0.01 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.02 3gpw n ARG 208 Cb 0.44 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 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 0.90 0.38 0.33 -0.13 0.00 -1.26 -4.95 105.19 100.45 3gpw n GLY 209 Ca 0.03 0.00 0.00 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 1.19 -3.35 2.61 2.02 -1.78 -3.42 112.91 110.17 3gpw h THR 210 Ca 0.00 -0.43 -0.56 0.00 0.77 0.00 0.00 66.41 66.19 3gpw h THR 210 Cb 0.00 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 66.62 3gpw h THR 210 CO 0.00 0.20 0.02 -0.89 0.37 0.00 0.00 175.52 175.22 3gpw s THR 211 N -5.66 5.09 -0.05 3.16 2.01 -1.26 -5.04 115.64 113.89 3gpw s THR 211 Ca -0.10 1.31 -0.30 0.00 0.31 0.00 0.00 61.69 62.91 3gpw s THR 211 Cb 0.17 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 3gpw s THR 211 CO 0.78 0.27 1.18 0.00 -0.69 0.00 0.00 174.62 176.16 3gpw s ALA 212 N 0.74 3.47 -0.10 7.40 0.00 -1.26 -5.03 121.76 126.98 3gpw s ALA 212 Ca 0.34 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.93 3gpw s ALA 212 Cb -0.17 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 3gpw s ALA 212 CO 0.16 -0.70 -0.11 0.08 0.00 0.00 0.00 175.76 175.19 3gpw s VAL 213 N 2.05 3.29 -0.19 0.00 1.01 -1.26 -5.04 120.40 120.26 3gpw s VAL 213 Ca 0.55 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3gpw s VAL 213 Cb -0.24 -2.36 -0.20 0.00 0.00 0.00 0.00 36.38 33.57 3gpw s VAL 213 CO 0.22 0.55 0.18 0.18 0.00 0.00 0.00 175.10 176.23 3gpw n LEU 214 N 2.94 2.14 -3.85 3.92 4.77 -1.26 -5.01 117.00 120.65 3gpw n LEU 214 Ca -0.18 0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 3gpw n LEU 214 Cb 0.53 -0.99 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 3gpw n LEU 214 CO 0.29 0.50 -0.12 -0.75 -1.33 0.00 0.00 177.39 175.98 3gpw s LYS 215 N -2.44 0.59 0.02 3.23 2.20 -1.26 -5.17 119.74 116.90 3gpw s LYS 215 Ca -0.28 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 3gpw s LYS 215 Cb 0.07 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.62 3gpw s LYS 215 CO 0.63 -0.15 -0.03 -2.00 -0.36 0.00 0.00 175.35 173.43 3gpw s GLU 216 N -1.85 0.32 0.12 4.03 2.12 -1.26 -5.17 118.70 117.01 3gpw s GLU 216 Ca -0.11 -0.58 -0.25 0.00 0.36 0.00 0.00 54.97 54.39 3gpw s GLU 216 Cb -0.05 0.04 0.07 0.00 0.26 0.00 0.00 34.13 34.45 3gpw s GLU 216 CO -0.00 -0.03 0.85 -1.54 -0.54 0.00 0.00 175.26 174.00 3gpw s SER 217 N -1.34 -0.31 -0.13 -1.70 1.04 -1.26 -5.16 113.70 104.84 3gpw s SER 217 Ca -0.14 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 55.96 3gpw s SER 217 Cb -0.09 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 3gpw s SER 217 CO -0.01 -0.87 0.23 -0.63 0.98 0.00 0.00 173.24 172.94 3gpw s ILE 218 N -3.38 5.34 -0.13 -1.02 -1.09 -1.26 -5.08 121.20 114.59 3gpw s ILE 218 Ca 0.08 0.42 -0.16 0.00 -2.23 0.00 0.00 60.65 58.76 3gpw s ILE 218 Cb -0.02 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.28 3gpw s ILE 218 CO -0.03 0.51 0.38 -0.69 -1.23 0.00 0.00 174.94 173.87 3gpw s VAL 219 N -0.30 5.23 -0.30 2.92 1.01 -1.26 -5.05 120.40 122.66 3gpw s VAL 219 Ca 0.16 0.74 -0.25 0.00 0.00 0.00 0.00 61.98 62.63 3gpw s VAL 219 Cb -0.13 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3gpw s VAL 219 CO 0.04 0.38 0.84 0.21 0.00 0.00 0.00 175.10 176.58 3gpw s ASN 220 N 0.36 6.73 -0.12 3.32 2.47 -1.26 -4.90 114.94 121.55 3gpw s ASN 220 Ca 0.21 0.78 0.13 0.00 0.42 0.00 0.00 52.86 54.40 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 0.07 -0.64 0.09 -0.38 -3.72 0.00 0.00 177.10 172.52 3gpw n ILE 221 N 5.55 0.82 -2.66 -5.21 5.41 -1.26 -4.95 119.36 117.05 3gpw n ILE 221 Ca 0.05 -0.55 -0.42 0.00 1.00 0.00 0.00 62.75 62.83 3gpw n ILE 221 Cb 0.48 -0.52 -0.03 0.00 -0.71 0.00 0.00 39.64 38.86 3gpw n ILE 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55