#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw s ASP -7 N 0.00 6.40 0.61 6.43 3.68 -1.26 -4.89 116.67 127.64 3gpw s ASP -7 Ca 0.00 -0.15 0.29 0.00 2.13 0.00 0.00 52.55 54.82 3gpw s ASP -7 Cb 0.00 -2.46 1.50 0.00 -1.45 0.00 0.00 42.92 40.50 3gpw s ASP -7 CO 0.00 -1.24 1.89 -0.65 0.13 0.00 0.00 175.17 175.31 3gpw h PRO -6 N 9.30 0.00 -0.01 4.34 0.11 -2.02 0.11 132.00 143.83 3gpw h PRO -6 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gpw h PRO -6 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gpw h PRO -6 CO 1.09 0.00 -0.12 0.43 -0.21 0.00 0.00 178.00 179.20 3gpw n SER -5 N -3.50 0.80 -0.06 -2.05 7.64 -1.26 -3.63 113.62 111.55 3gpw n SER -5 Ca 0.06 -0.90 0.05 0.00 1.01 0.00 0.00 58.87 59.09 3gpw n SER -5 Cb 0.59 0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.87 3gpw n SER -5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3gpw n SER -4 N -0.63 2.01 -0.08 6.43 7.64 0.37 -4.60 113.62 124.75 3gpw n SER -4 Ca 0.16 -2.53 -0.17 0.00 1.01 0.00 0.00 58.87 57.33 3gpw n SER -4 Cb 0.30 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 63.14 3gpw n SER -4 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3gpw h ILE -3 N 0.45 1.41 0.00 0.44 2.04 -1.65 -3.41 117.51 116.80 3gpw h ILE -3 Ca 0.00 -2.28 -0.10 0.00 1.00 0.00 0.00 64.86 63.48 3gpw h ILE -3 Cb 0.82 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.77 3gpw h ILE -3 CO 0.00 0.48 -1.65 0.59 0.00 0.00 0.00 178.15 177.57 3gpw n ASN -2 N -4.53 0.45 -0.51 1.72 5.03 -1.25 -1.58 115.26 114.59 3gpw n ASN -2 Ca -0.20 0.18 0.07 0.00 0.87 0.00 0.00 54.58 55.51 3gpw n ASN -2 Cb 0.57 0.97 -0.02 0.00 -1.02 0.00 0.00 39.78 40.28 3gpw n ASN -2 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gpw n GLY -1 N 1.35 -1.89 0.00 7.41 0.00 -1.26 -1.90 105.19 108.90 3gpw n GLY -1 Ca -0.09 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3gpw n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpw n GLY 1 N -2.71 3.69 3.17 -0.02 0.00 -1.07 -4.67 105.19 103.58 3gpw n GLY 1 Ca -0.01 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 3gpw n GLY 1 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gpw s ILE 2 N -2.38 0.16 -0.09 -0.61 -4.36 -1.26 -1.79 121.20 110.87 3gpw s ILE 2 Ca 0.00 -1.50 -0.11 0.00 -0.26 0.00 0.00 60.65 58.78 3gpw s ILE 2 Cb 0.00 -1.52 0.03 0.00 1.25 0.00 0.00 42.46 42.22 3gpw s ILE 2 CO 0.00 -0.73 0.30 -0.69 0.24 0.00 0.00 174.94 174.07 3gpw s VAL 3 N -3.91 0.01 -0.08 8.37 1.01 -0.44 -2.72 120.40 122.64 3gpw s VAL 3 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 3gpw s VAL 3 Cb 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 36.00 3gpw s VAL 3 CO -0.08 -0.07 0.22 0.54 0.00 0.00 0.00 175.10 175.71 3gpw s VAL 4 N -0.19 -0.01 0.02 2.92 0.11 0.00 -1.52 120.40 121.74 3gpw s VAL 4 Ca -0.03 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 3gpw s VAL 4 Cb -0.03 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 3gpw s VAL 4 CO 0.01 0.01 -0.18 0.00 -3.33 0.00 0.00 175.10 171.62 3gpw s ALA 5 N 0.37 1.49 0.02 1.54 0.00 -0.37 0.06 121.76 124.88 3gpw s ALA 5 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.05 3gpw s ALA 5 Cb -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3gpw s ALA 5 CO -0.02 0.33 -0.04 -1.64 0.00 0.00 0.00 175.76 174.40 3gpw s MET 6 N -0.90 0.33 -0.07 0.00 -1.94 0.46 -1.36 119.30 115.82 3gpw s MET 6 Ca 0.06 -0.59 -0.04 0.00 -1.71 0.00 0.00 55.69 53.41 3gpw s MET 6 Cb -0.08 0.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.74 3gpw s MET 6 CO 0.01 -0.02 0.10 0.95 -0.01 0.00 0.00 175.02 176.04 3gpw s THR 7 N -1.32 5.04 0.00 2.05 -4.23 -0.62 -0.68 115.64 115.89 3gpw s THR 7 Ca -0.13 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 3gpw s THR 7 Cb -0.09 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.53 3gpw s THR 7 CO -0.01 0.52 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 3gpw n GLY 8 N 1.72 5.67 3.59 3.99 0.00 0.31 -4.65 105.19 115.83 3gpw n GLY 8 Ca -0.17 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3gpw n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gpw s LYS 9 N 0.32 3.52 -1.50 1.61 2.47 0.88 -3.54 119.74 123.50 3gpw s LYS 9 Ca 0.00 0.52 -0.02 0.00 -1.56 0.00 0.00 55.97 54.91 3gpw s LYS 9 Cb 0.00 -4.02 0.01 0.00 -1.46 0.00 0.00 37.83 32.36 3gpw s LYS 9 CO 0.00 -1.65 0.16 -0.25 0.16 0.00 0.00 175.35 173.77 3gpw n ASP 10 N 8.66 -5.22 -3.61 1.43 10.43 -1.26 -4.67 116.55 122.31 3gpw n ASP 10 Ca 0.12 -0.04 -0.10 0.00 2.57 0.00 0.00 54.79 57.34 3gpw n ASP 10 Cb 0.49 -4.33 -0.02 0.00 1.84 0.00 0.00 41.12 39.09 3gpw n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gpw s VAL 12 N -3.82 0.12 0.01 0.00 -7.23 -0.56 -0.53 120.40 108.39 3gpw s VAL 12 Ca 0.05 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 3gpw s VAL 12 Cb -0.02 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 3gpw s VAL 12 CO -0.05 -0.53 -0.09 0.00 -0.31 0.00 0.00 175.10 174.12 3gpw s ALA 13 N -2.04 0.72 -0.02 1.32 0.00 0.14 -0.15 121.76 121.73 3gpw s ALA 13 Ca -0.10 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3gpw s ALA 13 Cb -0.05 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.97 3gpw s ALA 13 CO -0.02 0.13 -0.02 -1.50 0.00 0.00 0.00 175.76 174.35 3gpw s ILE 14 N -0.54 0.28 0.13 0.00 2.07 -0.73 -0.41 121.20 122.01 3gpw s ILE 14 Ca 0.00 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 3gpw s ILE 14 Cb -0.05 -0.33 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 3gpw s ILE 14 CO 0.00 0.14 -0.02 0.00 -1.91 0.00 0.00 174.94 173.15 3gpw s ALA 15 N 0.68 1.11 0.17 1.50 0.00 0.11 -0.79 121.76 124.53 3gpw s ALA 15 Ca -0.07 -1.46 -0.21 0.00 0.00 0.00 0.00 51.96 50.21 3gpw s ALA 15 Cb -0.10 0.41 0.06 0.00 0.00 0.00 0.00 23.12 23.48 3gpw s ALA 15 CO -0.01 -0.31 0.58 0.00 0.00 0.00 0.00 175.76 176.03 3gpw s ASP 17 N -2.78 3.96 -0.04 0.00 3.84 -1.10 -1.09 116.67 119.45 3gpw s ASP 17 Ca 0.03 -0.05 0.07 0.00 -0.00 0.00 0.00 52.55 52.60 3gpw s ASP 17 Cb -0.01 -0.24 0.15 0.00 -1.38 0.00 0.00 42.92 41.43 3gpw s ASP 17 CO -0.10 -2.15 1.11 0.18 -0.00 0.00 0.00 175.17 174.21 3gpw n LEU 18 N -3.18 2.37 -4.82 2.11 4.77 -0.11 -4.46 117.00 113.68 3gpw n LEU 18 Ca 0.14 -2.29 -0.33 0.00 -0.03 0.00 0.00 56.01 53.50 3gpw n LEU 18 Cb 0.60 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 3gpw n LEU 18 CO 0.45 0.60 0.65 -0.60 -1.33 0.00 0.00 177.39 177.15 3gpw s ARG 19 N -1.50 4.26 -0.21 3.23 3.52 -0.99 -1.70 118.95 125.56 3gpw s ARG 19 Ca 0.14 1.15 -0.04 0.00 -0.13 0.00 0.00 55.73 56.84 3gpw s ARG 19 Cb 0.10 -2.25 0.11 0.00 -1.56 0.00 0.00 34.95 31.35 3gpw s ARG 19 CO 0.04 -0.00 0.32 -1.17 -0.81 0.00 0.00 175.30 173.68 3gpw s LEU 20 N -3.06 -0.43 0.40 -0.88 1.98 -0.47 -4.68 118.68 111.54 3gpw s LEU 20 Ca 0.61 0.19 0.03 0.00 -2.89 0.00 0.00 54.13 52.07 3gpw s LEU 20 Cb -0.10 0.85 -0.03 0.00 0.66 0.00 0.00 46.19 47.57 3gpw s LEU 20 CO 0.14 -0.30 0.10 -0.83 -1.89 0.00 0.00 176.35 173.58 3gpw s GLY 21 N 2.47 2.54 -0.51 7.98 0.00 -0.80 -0.84 107.32 118.16 3gpw s GLY 21 Ca 0.08 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.52 3gpw s GLY 21 CO -0.14 -1.87 0.30 -0.45 0.00 0.00 0.00 173.10 170.95 3gpw s SER 22 N -3.61 3.93 1.75 1.64 0.15 0.11 -3.87 113.70 113.79 3gpw s SER 22 Ca 0.24 -3.01 0.00 0.00 0.70 0.00 0.00 55.95 53.89 3gpw s SER 22 Cb 0.04 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 3gpw s SER 22 CO 0.13 -0.22 0.00 0.00 1.20 0.00 0.00 173.24 174.36 3gpw n GLN 23 N 3.07 0.00 0.21 5.44 1.13 -0.61 -1.93 117.38 124.68 3gpw n GLN 23 Ca 0.11 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.26 3gpw n GLN 23 Cb 0.35 0.00 0.40 0.00 0.11 0.00 0.00 30.24 31.10 3gpw n GLN 23 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3gpw h SER 24 N 0.00 0.00 -3.15 1.08 4.64 -1.95 -3.44 113.55 110.72 3gpw h SER 24 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3gpw h SER 24 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3gpw h SER 24 CO 0.00 0.26 0.69 -0.22 -0.87 0.00 0.00 176.83 176.69 3gpw s LEU 25 N -6.78 4.13 0.21 5.97 2.96 -0.81 -5.03 118.68 119.32 3gpw s LEU 25 Ca 0.01 1.34 -0.30 0.00 -0.22 0.00 0.00 54.13 54.96 3gpw s LEU 25 Cb 0.10 -3.47 -0.08 0.00 0.50 0.00 0.00 46.19 43.24 3gpw s LEU 25 CO 0.65 -0.59 1.06 -0.83 -1.32 0.00 0.00 176.35 175.32 3gpw s GLY 26 N 1.20 2.96 0.00 7.98 0.00 -1.26 0.06 107.32 118.26 3gpw s GLY 26 Ca 0.43 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.93 3gpw s GLY 26 CO 0.09 1.52 0.00 -0.62 0.00 0.00 0.00 173.10 174.09 3gpw n VAL 27 N 1.96 0.00 -3.82 1.40 0.31 -0.02 -4.87 118.33 113.29 3gpw n VAL 27 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3gpw n VAL 27 Cb 0.46 -0.50 -0.13 0.00 -0.91 0.00 0.00 33.84 32.77 3gpw n VAL 27 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3gpw s SER 28 N -3.98 -0.15 -0.18 4.52 0.15 -0.36 -5.00 113.70 108.69 3gpw s SER 28 Ca 0.00 0.29 0.17 0.00 0.70 0.00 0.00 55.95 57.11 3gpw s SER 28 Cb 0.00 0.28 0.53 0.00 -1.71 0.00 0.00 66.02 65.12 3gpw s SER 28 CO 0.00 -0.06 1.42 -0.46 1.20 0.00 0.00 173.24 175.34 3gpw n ASN 29 N 3.07 3.85 -0.42 5.45 2.04 -1.26 -1.37 115.26 126.62 3gpw n ASN 29 Ca -0.13 -3.03 0.03 0.00 -0.44 0.00 0.00 54.58 51.01 3gpw n ASN 29 Cb 0.59 -0.54 0.04 0.00 -2.53 0.00 0.00 39.78 37.33 3gpw n ASN 29 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3gpw n LYS 30 N -0.54 0.37 -2.70 -3.83 5.02 -1.08 -4.76 118.16 110.64 3gpw n LYS 30 Ca 0.21 -1.50 -0.42 0.00 -2.02 0.00 0.00 58.31 54.58 3gpw n LYS 30 Cb 0.89 -0.77 -0.02 0.00 -0.02 0.00 0.00 35.03 35.11 3gpw n LYS 30 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3gpw s PHE 31 N -0.83 2.80 0.31 2.13 5.36 -0.69 -4.99 117.98 122.08 3gpw s PHE 31 Ca 0.10 -1.18 -0.28 0.00 -0.96 0.00 0.00 56.93 54.61 3gpw s PHE 31 Cb 0.10 -4.55 -0.10 0.00 -0.34 0.00 0.00 43.02 38.13 3gpw s PHE 31 CO 0.00 -1.75 1.15 -1.21 -1.46 0.00 0.00 175.22 171.95 3gpw s GLU 32 N 3.96 4.49 -0.01 10.12 2.02 -1.26 -4.42 118.70 133.59 3gpw s GLU 32 Ca 0.42 1.87 0.11 0.00 0.02 0.00 0.00 54.97 57.40 3gpw s GLU 32 Cb -0.01 -3.07 0.32 0.00 0.10 0.00 0.00 34.13 31.47 3gpw s GLU 32 CO -0.07 0.05 1.26 1.63 0.02 0.00 0.00 175.26 178.15 3gpw n LYS 33 N 0.91 2.88 -4.67 1.61 5.02 -1.26 -4.97 118.16 117.68 3gpw n LYS 33 Ca 0.00 -2.10 -0.34 0.00 -2.02 0.00 0.00 58.31 53.85 3gpw n LYS 33 Cb 0.45 -1.31 -0.12 0.00 -0.02 0.00 0.00 35.03 34.03 3gpw n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gpw s ILE 34 N -1.13 3.55 0.16 -0.18 -1.09 -1.26 -0.73 121.20 120.52 3gpw s ILE 34 Ca 0.24 -0.53 -0.00 0.00 -2.23 0.00 0.00 60.65 58.13 3gpw s ILE 34 Cb 0.13 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 3gpw s ILE 34 CO 0.15 0.58 0.06 -0.36 -1.23 0.00 0.00 174.94 174.14 3gpw s PHE 35 N -0.63 1.05 -0.01 3.97 0.40 0.88 -4.97 117.98 118.67 3gpw s PHE 35 Ca 0.09 -1.20 -0.11 0.00 -0.60 0.00 0.00 56.93 55.11 3gpw s PHE 35 Cb -0.11 -0.58 0.01 0.00 0.51 0.00 0.00 43.02 42.85 3gpw s PHE 35 CO 0.02 -0.45 0.23 -3.38 0.70 0.00 0.00 175.22 172.33 3gpw s HIS 36 N -3.95 -0.08 -0.29 0.36 -3.43 -1.26 0.33 115.29 106.98 3gpw s HIS 36 Ca 0.28 0.09 -0.01 0.00 -0.80 0.00 0.00 55.06 54.61 3gpw s HIS 36 Cb 0.07 0.03 0.09 0.00 -1.43 0.00 0.00 32.58 31.34 3gpw s HIS 36 CO 0.05 -0.33 0.08 0.71 -2.00 0.00 0.00 174.74 173.25 3gpw s TYR 38 N -1.31 1.58 0.00 0.38 2.02 -0.07 -4.98 117.35 114.96 3gpw s TYR 38 Ca -0.14 -1.57 0.00 0.00 -0.37 0.00 0.00 57.07 55.00 3gpw s TYR 38 Cb -0.06 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.93 3gpw s TYR 38 CO 0.03 -0.83 0.00 0.41 -1.57 0.00 0.00 175.55 173.59 3gpw n GLY 39 N 4.89 1.38 1.35 0.71 0.00 -1.26 -2.26 105.19 109.99 3gpw n GLY 39 Ca -0.04 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.59 3gpw n GLY 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gpw n HIS 40 N 12.60 0.98 -3.70 1.61 1.44 -1.26 -4.89 115.22 122.00 3gpw n HIS 40 Ca 0.00 -0.49 -0.36 0.00 -2.01 0.00 0.00 57.72 54.87 3gpw n HIS 40 Cb 0.00 -0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 3gpw n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3gpw s VAL 41 N -1.03 5.39 -0.10 0.61 1.01 -0.96 -4.45 120.40 120.87 3gpw s VAL 41 Ca 0.49 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 3gpw s VAL 41 Cb 0.25 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3gpw s VAL 41 CO 0.33 0.40 0.02 -0.36 0.00 0.00 0.00 175.10 175.49 3gpw s PHE 42 N 0.65 3.22 -0.10 5.22 0.40 0.52 -0.89 117.98 126.99 3gpw s PHE 42 Ca 0.08 0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.63 3gpw s PHE 42 Cb -0.12 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.61 3gpw s PHE 42 CO 0.01 0.48 -0.06 -1.17 0.70 0.00 0.00 175.22 175.18 3gpw s LEU 43 N -0.83 1.07 0.05 -0.37 2.96 0.15 -0.75 118.68 120.96 3gpw s LEU 43 Ca 0.13 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3gpw s LEU 43 Cb -0.12 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 3gpw s LEU 43 CO 0.02 -0.13 0.16 -0.83 -1.32 0.00 0.00 176.35 174.26 3gpw s GLY 44 N 1.76 2.13 -0.09 7.98 0.00 0.76 -0.08 107.32 119.77 3gpw s GLY 44 Ca 0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.86 3gpw s GLY 44 CO -0.08 -0.84 0.19 -0.42 0.00 0.00 0.00 173.10 171.95 3gpw s ILE 45 N -1.43 -0.29 0.40 0.90 1.01 0.09 -0.84 121.20 121.04 3gpw s ILE 45 Ca 0.32 0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.37 3gpw s ILE 45 Cb -0.13 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 3gpw s ILE 45 CO 0.24 0.14 0.41 0.42 0.00 0.00 0.00 174.94 176.15 3gpw s THR 46 N 2.27 2.93 0.00 2.92 -4.23 -1.10 -4.82 115.64 113.62 3gpw s THR 46 Ca 0.02 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 3gpw s THR 46 Cb -0.12 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3gpw s THR 46 CO -0.06 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3gpw n GLY 47 N -1.58 0.28 3.64 3.99 0.00 -1.26 -0.74 105.19 109.52 3gpw n GLY 47 Ca 0.03 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 3gpw n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gpw s LEU 48 N 0.00 4.06 0.25 0.99 2.96 -0.08 -4.61 118.68 122.25 3gpw s LEU 48 Ca 0.00 2.00 -0.05 0.00 -0.22 0.00 0.00 54.13 55.87 3gpw s LEU 48 Cb 0.00 -3.53 0.48 0.00 0.50 0.00 0.00 46.19 43.64 3gpw s LEU 48 CO 0.00 -1.20 1.67 0.00 -1.32 0.00 0.00 176.35 175.49 3gpw h ALA 49 N 10.82 0.94 -0.76 5.97 0.00 -1.90 -0.03 119.26 134.31 3gpw h ALA 49 Ca -0.39 0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.77 3gpw h ALA 49 Cb 1.18 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 3gpw h ALA 49 CO 0.97 -0.38 0.50 0.00 0.00 0.00 0.00 179.25 180.34 3gpw h THR 50 N 0.21 1.07 -0.02 0.00 1.03 -1.99 0.18 112.91 113.40 3gpw h THR 50 Ca 0.43 -0.30 -0.19 0.00 -0.01 0.00 0.00 66.41 66.34 3gpw h THR 50 Cb 0.76 0.13 -0.01 0.00 -1.07 0.00 0.00 68.15 67.96 3gpw h THR 50 CO -0.57 0.16 -0.80 0.44 -0.01 0.00 0.00 175.52 174.73 3gpw h ASP 51 N 0.87 0.31 -0.46 0.00 3.45 -1.43 -0.39 116.42 118.76 3gpw h ASP 51 Ca 0.31 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.54 3gpw h ASP 51 Cb 0.14 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 3gpw h ASP 51 CO -0.10 0.99 0.25 0.58 -1.57 0.00 0.00 179.24 179.39 3gpw h VAL 52 N 0.15 1.17 -0.11 -1.35 2.07 -0.07 0.21 116.25 118.32 3gpw h VAL 52 Ca -0.04 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3gpw h VAL 52 Cb 1.40 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3gpw h VAL 52 CO 0.13 0.18 0.02 0.74 0.02 0.00 0.00 177.57 178.65 3gpw h THR 53 N 0.61 1.21 -0.40 2.57 2.02 -0.90 -2.19 112.91 115.84 3gpw h THR 53 Ca 0.16 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.68 3gpw h THR 53 Cb 0.06 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3gpw h THR 53 CO -0.03 0.19 0.25 0.74 0.37 0.00 0.00 175.52 177.05 3gpw h THR 54 N -0.03 1.08 -0.79 3.16 2.02 -0.83 -1.97 112.91 115.54 3gpw h THR 54 Ca 0.04 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 3gpw h THR 54 Cb 0.28 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 3gpw h THR 54 CO 0.00 0.09 0.34 -0.07 0.37 0.00 0.00 175.52 176.25 3gpw h LEU 55 N 0.52 1.07 -0.27 2.58 3.38 -0.56 0.41 115.31 122.44 3gpw h LEU 55 Ca 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gpw h LEU 55 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3gpw h LEU 55 CO -0.05 0.94 0.16 -1.13 0.09 0.00 0.00 178.44 178.46 3gpw h ASN 56 N 1.14 0.33 -0.75 -0.43 -1.24 -1.14 0.51 115.58 114.00 3gpw h ASN 56 Ca 0.27 -0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.23 3gpw h ASN 56 Cb 0.18 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.11 3gpw h ASN 56 CO -0.03 0.29 0.50 -0.33 -1.29 0.00 0.00 177.43 176.57 3gpw h GLU 57 N 0.35 0.99 -0.08 6.67 5.08 -0.96 -0.63 114.58 125.99 3gpw h GLU 57 Ca 0.10 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3gpw h GLU 57 Cb 0.02 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 3gpw h GLU 57 CO -0.02 0.65 -0.00 1.98 -1.00 0.00 0.00 179.01 180.63 3gpw h MET 58 N 1.02 0.14 0.00 2.33 4.05 -0.25 -2.20 114.93 120.02 3gpw h MET 58 Ca 0.28 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.60 3gpw h MET 58 Cb -0.11 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 3gpw h MET 58 CO -0.06 0.41 -0.26 0.74 0.23 0.00 0.00 176.91 177.97 3gpw h PHE 59 N -0.15 0.00 0.28 1.39 0.05 -0.61 0.04 116.94 117.94 3gpw h PHE 59 Ca 0.02 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 3gpw h PHE 59 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.30 3gpw h PHE 59 CO 0.03 0.26 -0.13 -0.09 -0.18 0.00 0.00 178.31 178.20 3gpw h ARG 60 N 0.00 -0.36 -0.59 1.51 2.43 -1.03 0.23 114.38 116.57 3gpw h ARG 60 Ca -0.00 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 3gpw h ARG 60 Cb 0.61 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.13 3gpw h ARG 60 CO 0.03 -0.04 -0.15 -0.92 -1.51 0.00 0.00 179.97 177.38 3gpw h TYR 61 N -0.72 -0.31 -0.23 2.20 5.03 -1.05 0.30 116.97 122.18 3gpw h TYR 61 Ca -0.04 0.05 -0.17 0.00 2.58 0.00 0.00 58.73 61.16 3gpw h TYR 61 Cb 0.49 0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.99 3gpw h TYR 61 CO 0.02 -0.25 -0.53 0.87 -1.32 0.00 0.00 178.16 176.95 3gpw h LYS 62 N 0.00 0.68 0.00 1.82 1.57 -0.95 -2.84 116.57 116.85 3gpw h LYS 62 Ca 0.28 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3gpw h LYS 62 Cb 0.43 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3gpw h LYS 62 CO -0.61 1.04 -0.17 1.79 -0.57 0.00 0.00 179.45 180.93 3gpw h THR 63 N 0.53 0.36 0.02 -0.16 1.35 -0.29 -1.71 112.91 113.01 3gpw h THR 63 Ca 0.02 -1.07 -0.00 0.00 -0.55 0.00 0.00 66.41 64.80 3gpw h THR 63 Cb 1.09 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3gpw h THR 63 CO 0.11 0.16 -0.01 0.78 -0.25 0.00 0.00 175.52 176.31 3gpw h ASN 64 N 0.00 -0.02 -0.60 5.36 2.35 -0.84 -1.81 115.58 120.02 3gpw h ASN 64 Ca -0.00 -0.50 -0.04 0.00 -0.55 0.00 0.00 56.30 55.21 3gpw h ASN 64 Cb 0.80 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.15 3gpw h ASN 64 CO 0.02 0.49 0.23 -0.07 -1.65 0.00 0.00 177.43 176.45 3gpw h LEU 65 N -0.54 0.87 -0.35 1.61 3.38 -1.46 -2.09 115.31 116.73 3gpw h LEU 65 Ca -0.00 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3gpw h LEU 65 Cb 0.52 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3gpw h LEU 65 CO 0.00 0.79 0.16 0.22 0.09 0.00 0.00 178.44 179.71 3gpw h TYR 66 N 0.92 0.30 -0.84 1.13 5.03 -1.25 -1.45 116.97 120.80 3gpw h TYR 66 Ca 0.21 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 3gpw h TYR 66 Cb 0.21 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.37 3gpw h TYR 66 CO 0.02 0.15 0.50 -0.22 -1.32 0.00 0.00 178.16 177.28 3gpw h LYS 67 N 0.34 1.15 -0.35 1.82 3.64 -0.96 0.25 116.57 122.46 3gpw h LYS 67 Ca 0.15 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3gpw h LYS 67 Cb 0.08 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3gpw h LYS 67 CO -0.12 0.82 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.80 3gpw h LEU 68 N 1.16 0.52 0.04 5.20 3.38 -0.80 0.96 115.31 125.77 3gpw h LEU 68 Ca 0.30 -0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.90 3gpw h LEU 68 Cb -0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3gpw h LEU 68 CO -0.05 0.59 -1.47 0.11 0.09 0.00 0.00 178.44 177.71 3gpw h LYS 69 N 0.53 0.08 0.00 1.13 1.57 -0.95 -3.38 116.57 115.55 3gpw h LYS 69 Ca 0.11 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3gpw h LYS 69 Cb 0.35 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3gpw h LYS 69 CO 0.01 1.07 -0.07 0.93 -0.57 0.00 0.00 179.45 180.82 3gpw h GLU 70 N -0.68 0.00 -3.49 3.15 4.39 -0.58 -3.47 114.58 113.89 3gpw h GLU 70 Ca -0.37 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 58.95 3gpw h GLU 70 Cb 1.52 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.20 3gpw h GLU 70 CO -0.12 0.07 -0.53 0.39 -1.16 0.00 0.00 179.01 177.67 3gpw n GLU 71 N -3.15 -3.13 -3.44 2.33 1.02 0.33 -4.97 120.64 109.63 3gpw n GLU 71 Ca 0.02 0.89 -0.11 0.00 -0.02 0.00 0.00 57.16 57.93 3gpw n GLU 71 Cb 0.44 -5.53 -0.02 0.00 -0.02 0.00 0.00 31.44 26.31 3gpw n GLU 71 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3gpw s ARG 72 N -5.31 1.19 0.36 3.49 1.70 -1.23 -5.06 118.95 114.08 3gpw s ARG 72 Ca 0.15 -0.42 -0.23 0.00 -0.47 0.00 0.00 55.73 54.76 3gpw s ARG 72 Cb -0.07 0.55 -0.10 0.00 -0.57 0.00 0.00 34.95 34.76 3gpw s ARG 72 CO 0.18 -0.52 0.92 0.00 -1.08 0.00 0.00 175.30 174.81 3gpw s ALA 73 N -3.56 3.16 0.61 7.88 0.00 -1.26 -4.19 121.76 124.40 3gpw s ALA 73 Ca 0.01 0.43 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 3gpw s ALA 73 Cb -0.01 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 3gpw s ALA 73 CO -0.12 0.17 1.18 -1.50 0.00 0.00 0.00 175.76 175.50 3gpw s ILE 74 N -1.85 2.78 0.27 0.00 2.07 -1.26 -5.05 121.20 118.15 3gpw s ILE 74 Ca 0.55 0.45 0.06 0.00 -1.41 0.00 0.00 60.65 60.29 3gpw s ILE 74 Cb -0.14 -3.12 -0.03 0.00 0.13 0.00 0.00 42.46 39.31 3gpw s ILE 74 CO 0.19 -0.14 0.37 -1.61 -1.91 0.00 0.00 174.94 171.84 3gpw s GLU 75 N -3.50 3.29 0.15 3.50 0.41 -1.26 -4.70 118.70 116.57 3gpw s GLU 75 Ca 0.75 -0.87 -0.22 0.00 -0.41 0.00 0.00 54.97 54.22 3gpw s GLU 75 Cb -0.28 -2.82 0.02 0.00 -1.78 0.00 0.00 34.13 29.27 3gpw s GLU 75 CO 0.35 0.33 1.64 -1.35 -0.49 0.00 0.00 175.26 175.74 3gpw h PRO 76 N 1.14 -0.21 -0.66 0.39 0.11 -1.93 0.78 132.00 131.62 3gpw h PRO 76 Ca -0.50 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.67 3gpw h PRO 76 Cb 1.24 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 3gpw h PRO 76 CO 0.59 -0.14 0.39 0.93 -0.21 0.00 0.00 178.00 179.56 3gpw h GLU 77 N -0.21 0.71 -0.15 1.05 3.07 -1.97 -1.00 114.58 116.08 3gpw h GLU 77 Ca 0.13 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3gpw h GLU 77 Cb 0.41 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3gpw h GLU 77 CO -0.34 0.47 -0.06 1.15 -1.40 0.00 0.00 179.01 178.83 3gpw h THR 78 N 0.73 1.31 -0.94 1.13 2.02 -1.85 -2.86 112.91 112.45 3gpw h THR 78 Ca 0.28 -1.09 0.07 0.00 0.77 0.00 0.00 66.41 66.45 3gpw h THR 78 Cb 0.11 1.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 3gpw h THR 78 CO -0.15 0.32 0.59 0.15 0.37 0.00 0.00 175.52 176.80 3gpw h PHE 79 N -0.02 1.09 -0.97 3.16 3.57 -0.68 -0.27 116.94 122.83 3gpw h PHE 79 Ca 0.03 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.66 3gpw h PHE 79 Cb 0.53 -0.35 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 3gpw h PHE 79 CO 0.06 0.55 0.62 1.15 -2.23 0.00 0.00 178.31 178.46 3gpw h THR 80 N 1.06 1.00 -0.06 4.41 2.02 -1.04 0.29 112.91 120.60 3gpw h THR 80 Ca 0.41 -0.35 -0.16 0.00 0.77 0.00 0.00 66.41 67.08 3gpw h THR 80 Cb 0.20 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 3gpw h THR 80 CO -0.18 0.19 -0.67 1.56 0.37 0.00 0.00 175.52 176.78 3gpw h GLN 81 N 1.03 0.27 -0.44 6.66 1.08 -0.88 -1.68 115.11 121.15 3gpw h GLN 81 Ca 0.44 -0.21 -0.12 0.00 -1.45 0.00 0.00 58.65 57.32 3gpw h GLN 81 Cb 0.34 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3gpw h GLN 81 CO -0.20 0.84 -0.19 1.25 -0.95 0.00 0.00 178.83 179.58 3gpw h LEU 82 N 0.19 0.87 0.08 1.46 5.85 0.33 -1.66 115.31 122.42 3gpw h LEU 82 Ca -0.02 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 3gpw h LEU 82 Cb 1.21 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3gpw h LEU 82 CO 0.11 1.04 -0.04 0.58 -0.34 0.00 0.00 178.44 179.79 3gpw h VAL 83 N 0.75 1.09 0.11 1.05 2.07 -0.39 -1.48 116.25 119.45 3gpw h VAL 83 Ca 0.11 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3gpw h VAL 83 Cb 0.72 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 3gpw h VAL 83 CO 0.06 0.15 -0.42 -1.28 0.02 0.00 0.00 177.57 176.10 3gpw h SER 84 N -0.37 -1.23 0.15 0.57 0.87 -1.21 -0.99 113.55 111.34 3gpw h SER 84 Ca -0.01 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3gpw h SER 84 Cb 0.32 0.46 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3gpw h SER 84 CO 0.02 -0.48 -0.18 0.77 -0.53 0.00 0.00 176.83 176.43 3gpw h SER 85 N -0.64 0.06 -0.33 6.23 4.64 -1.35 -1.24 113.55 120.92 3gpw h SER 85 Ca 0.02 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 3gpw h SER 85 Cb 0.67 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3gpw h SER 85 CO -0.25 0.24 -0.33 0.28 -0.87 0.00 0.00 176.83 175.90 3gpw h SER 86 N 0.06 0.90 -0.13 4.97 0.02 -0.74 -2.39 113.55 116.23 3gpw h SER 86 Ca 0.01 -0.39 -0.07 0.00 -0.84 0.00 0.00 61.79 60.51 3gpw h SER 86 Cb 0.35 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3gpw h SER 86 CO 0.02 1.15 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.60 3gpw h LEU 87 N 0.72 0.39 -2.13 5.07 3.38 -0.79 -3.16 115.31 118.79 3gpw h LEU 87 Ca 0.07 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3gpw h LEU 87 Cb 0.90 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3gpw h LEU 87 CO 0.08 0.84 -0.05 0.22 0.09 0.00 0.00 178.44 179.63 3gpw h TYR 88 N -0.04 0.00 0.00 1.13 3.20 -1.24 -0.55 116.97 119.47 3gpw h TYR 88 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3gpw h TYR 88 Cb 0.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.03 3gpw h TYR 88 CO 0.10 0.05 0.00 1.49 -1.64 0.00 0.00 178.16 178.15 3gpw h GLU 89 N 0.00 0.00 -0.33 1.82 4.81 -1.39 0.13 114.58 119.63 3gpw h GLU 89 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3gpw h GLU 89 Cb 0.10 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.40 3gpw h GLU 89 CO 0.01 0.00 -0.03 0.54 -0.73 0.00 0.00 179.01 178.80 3gpw n ARG 90 N -2.63 2.17 -0.27 1.92 5.12 -0.21 -4.85 116.66 117.91 3gpw n ARG 90 Ca -0.02 -3.05 0.15 0.00 -1.93 0.00 0.00 57.85 53.00 3gpw n ARG 90 Cb 0.08 -1.83 0.28 0.00 -1.16 0.00 0.00 32.46 29.84 3gpw n ARG 90 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3gpw n ARG 91 N -0.94 -0.06 -1.01 5.56 3.00 0.46 -0.69 116.66 122.98 3gpw n ARG 91 Ca 0.30 1.19 -0.13 0.00 -0.00 0.00 0.00 57.85 59.20 3gpw n ARG 91 Cb 1.00 -1.93 0.21 0.00 0.00 0.00 0.00 32.46 31.73 3gpw n ARG 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3gpw n PHE 92 N -5.08 2.16 -2.66 -0.14 3.01 -1.26 -4.37 117.46 109.12 3gpw n PHE 92 Ca 0.21 -1.64 -0.03 0.00 1.01 0.00 0.00 57.45 57.00 3gpw n PHE 92 Cb 0.70 -0.72 0.08 0.00 -0.01 0.00 0.00 39.48 39.54 3gpw n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gpw n GLY 93 N -1.00 -1.45 3.73 1.37 0.00 0.14 -5.17 105.19 102.80 3gpw n GLY 93 Ca 0.46 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.88 3gpw n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gpw s PRO 94 N 0.02 1.70 0.10 1.61 0.04 -0.05 -4.84 135.00 133.59 3gpw s PRO 94 Ca 0.16 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.08 3gpw s PRO 94 Cb 0.24 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.88 3gpw s PRO 94 CO -0.17 -2.02 0.79 0.71 0.04 0.00 0.00 177.00 176.35 3gpw s TYR 95 N -2.86 3.82 -1.26 0.56 1.51 -1.26 -4.96 117.35 112.90 3gpw s TYR 95 Ca 0.63 1.57 -0.12 0.00 -1.01 0.00 0.00 57.07 58.14 3gpw s TYR 95 Cb -0.18 -2.82 0.16 0.00 -0.11 0.00 0.00 41.96 39.01 3gpw s TYR 95 CO 0.57 0.37 1.69 1.19 -1.11 0.00 0.00 175.55 178.26 3gpw n PHE 96 N 2.28 3.92 -4.29 2.71 3.72 -1.26 -4.78 117.46 119.76 3gpw n PHE 96 Ca -0.03 -3.05 -0.15 0.00 -0.05 0.00 0.00 57.45 54.16 3gpw n PHE 96 Cb 0.49 -2.09 -0.10 0.00 -0.94 0.00 0.00 39.48 36.84 3gpw n PHE 96 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3gpw s VAL 97 N 1.11 0.51 -0.45 -4.37 -7.23 -1.26 -0.90 120.40 107.80 3gpw s VAL 97 Ca 0.42 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 3gpw s VAL 97 Cb 0.04 -2.52 0.15 0.00 0.56 0.00 0.00 36.38 34.61 3gpw s VAL 97 CO 0.00 -0.10 0.29 -0.83 -0.31 0.00 0.00 175.10 174.16 3gpw s GLY 98 N -3.27 1.59 0.64 2.32 0.00 0.08 -3.76 107.32 104.93 3gpw s GLY 98 Ca 0.35 -2.61 -0.15 0.00 0.00 0.00 0.00 44.72 42.32 3gpw s GLY 98 CO 0.11 1.71 1.08 -4.14 0.00 0.00 0.00 173.10 171.86 3gpw s PRO 99 N 0.16 3.05 -0.11 2.90 0.02 -1.26 -2.72 135.00 137.05 3gpw s PRO 99 Ca 0.22 1.23 -0.05 0.00 0.02 0.00 0.00 61.00 62.42 3gpw s PRO 99 Cb -0.15 -1.99 0.06 0.00 0.02 0.00 0.00 34.50 32.43 3gpw s PRO 99 CO -0.07 -1.03 0.24 0.08 -0.33 0.00 0.00 177.00 175.90 3gpw s VAL 100 N -2.52 -0.26 -0.11 3.83 1.01 -0.02 -2.41 120.40 119.93 3gpw s VAL 100 Ca 0.64 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 3gpw s VAL 100 Cb -0.17 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3gpw s VAL 100 CO 0.42 0.10 0.03 -0.69 0.00 0.00 0.00 175.10 174.95 3gpw s VAL 101 N 1.98 4.52 -0.05 2.92 1.01 0.88 -0.17 120.40 131.48 3gpw s VAL 101 Ca -0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 3gpw s VAL 101 Cb -0.11 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.35 3gpw s VAL 101 CO -0.08 0.58 0.17 0.00 0.00 0.00 0.00 175.10 175.77 3gpw s ALA 102 N -0.67 -0.41 0.00 5.51 0.00 0.07 -0.63 121.76 125.63 3gpw s ALA 102 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3gpw s ALA 102 Cb -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3gpw s ALA 102 CO 0.02 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3gpw n GLY 103 N 2.68 0.07 3.21 0.00 0.00 -0.26 -0.36 105.19 110.53 3gpw n GLY 103 Ca -0.15 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 3gpw n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gpw s ILE 104 N -2.00 1.87 -0.11 -0.61 1.01 -1.26 -0.37 121.20 119.72 3gpw s ILE 104 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 3gpw s ILE 104 Cb 0.00 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3gpw s ILE 104 CO 0.00 0.52 1.76 0.21 0.00 0.00 0.00 174.94 177.43 3gpw s ASN 105 N 0.11 6.39 0.56 3.58 3.84 -0.54 -4.82 114.94 124.06 3gpw s ASN 105 Ca -0.10 2.07 0.33 0.00 0.21 0.00 0.00 52.86 55.38 3gpw s ASN 105 Cb -0.15 -2.53 1.82 0.00 -0.55 0.00 0.00 41.25 39.84 3gpw s ASN 105 CO 0.05 -1.18 2.01 0.77 -2.79 0.00 0.00 177.10 175.97 3gpw h SER 10 N 10.77 0.00 0.00 -4.21 4.64 -1.95 0.59 113.55 123.39 3gpw h SER 10 Ca -0.39 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.66 3gpw h SER 10 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3gpw h SER 10 CO 0.97 0.00 -2.01 1.17 -0.87 0.00 0.00 176.83 176.09 3gpw n LYS 10 N -2.76 0.97 0.00 4.77 4.81 -1.26 -4.59 118.16 120.10 3gpw n LYS 10 Ca -0.02 0.06 0.10 0.00 -0.87 0.00 0.00 58.31 57.58 3gpw n LYS 10 Cb 0.16 -1.37 -0.08 0.00 0.02 0.00 0.00 35.03 33.76 3gpw n LYS 10 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3gpw n SER 10 N -2.82 0.80 0.00 3.14 3.41 -1.12 -4.96 113.62 112.07 3gpw n SER 10 Ca -0.28 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 3gpw n SER 10 Cb 0.89 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.89 3gpw n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpw n GLY 106 N 1.46 0.90 3.73 5.00 0.00 0.20 -4.96 105.19 111.52 3gpw n GLY 106 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3gpw n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gpw s LYS 107 N -0.27 4.31 0.44 1.61 2.20 -1.26 -4.63 119.74 122.14 3gpw s LYS 107 Ca 0.00 2.15 -0.23 0.00 -0.36 0.00 0.00 55.97 57.54 3gpw s LYS 107 Cb 0.00 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 33.04 3gpw s LYS 107 CO 0.00 -0.42 1.08 -2.14 -0.36 0.00 0.00 175.35 173.51 3gpw s PRO 108 N 0.58 3.94 -0.12 4.03 0.02 -1.26 -1.46 135.00 140.72 3gpw s PRO 108 Ca 0.63 1.55 -0.06 0.00 0.02 0.00 0.00 61.00 63.13 3gpw s PRO 108 Cb -0.39 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 31.80 3gpw s PRO 108 CO 0.34 -0.34 0.29 0.12 -0.33 0.00 0.00 177.00 177.08 3gpw s PHE 109 N -1.71 -0.40 0.06 6.54 5.36 0.50 -4.94 117.98 123.40 3gpw s PHE 109 Ca 0.62 0.91 0.02 0.00 -0.96 0.00 0.00 56.93 57.53 3gpw s PHE 109 Cb -0.22 0.10 -0.03 0.00 -0.34 0.00 0.00 43.02 42.53 3gpw s PHE 109 CO 0.27 -0.26 -0.08 0.96 -1.46 0.00 0.00 175.22 174.66 3gpw s ILE 110 N 1.28 0.61 -0.07 3.12 -4.36 -1.26 -1.10 121.20 119.44 3gpw s ILE 110 Ca -0.09 -1.37 -0.31 0.00 -0.26 0.00 0.00 60.65 58.62 3gpw s ILE 110 Cb -0.10 -0.97 0.07 0.00 1.25 0.00 0.00 42.46 42.71 3gpw s ILE 110 CO -0.09 -0.53 0.70 0.00 0.24 0.00 0.00 174.94 175.25 3gpw s ALA 111 N -2.10 -1.78 0.31 2.27 0.00 0.20 -4.23 121.76 116.43 3gpw s ALA 111 Ca -0.03 1.36 0.09 0.00 0.00 0.00 0.00 51.96 53.39 3gpw s ALA 111 Cb -0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 3gpw s ALA 111 CO -0.01 -0.36 -0.11 0.20 0.00 0.00 0.00 175.76 175.48 3gpw s GLY 112 N -1.13 2.00 0.02 0.00 0.00 0.53 -0.09 107.32 108.65 3gpw s GLY 112 Ca -0.10 -1.98 -0.03 0.00 0.00 0.00 0.00 44.72 42.61 3gpw s GLY 112 CO 0.09 -1.95 0.03 -1.36 0.00 0.00 0.00 173.10 169.91 3gpw s PHE 113 N -2.72 0.19 0.81 1.90 0.08 -1.01 0.08 117.98 117.30 3gpw s PHE 113 Ca 0.31 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.90 3gpw s PHE 113 Cb 0.01 -0.14 0.16 0.00 -0.57 0.00 0.00 43.02 42.48 3gpw s PHE 113 CO 0.14 -0.24 1.11 0.16 -0.10 0.00 0.00 175.22 176.30 3gpw s ASP 114 N -1.50 3.86 0.34 1.36 3.84 -1.03 -3.99 116.67 119.55 3gpw s ASP 114 Ca -0.15 -0.28 0.25 0.00 -0.00 0.00 0.00 52.55 52.37 3gpw s ASP 114 Cb -0.08 0.07 1.22 0.00 -1.38 0.00 0.00 42.92 42.74 3gpw s ASP 114 CO -0.00 -2.21 1.75 0.17 -0.00 0.00 0.00 175.17 174.88 3gpw h LEU 115 N -0.90 0.00 -3.37 2.11 -0.00 -1.87 -2.26 115.31 109.02 3gpw h LEU 115 Ca -0.37 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.36 3gpw h LEU 115 Cb 1.25 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.83 3gpw h LEU 115 CO 0.37 0.00 0.01 2.30 -0.00 0.00 0.00 178.44 181.12 3gpw n ILE 116 N -2.37 2.51 -0.48 0.15 -5.35 -1.26 -4.35 119.36 108.22 3gpw n ILE 116 Ca -0.00 -2.36 0.00 0.00 -0.27 0.00 0.00 62.75 60.12 3gpw n ILE 116 Cb 0.12 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 3gpw n ILE 116 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gpw n GLY 117 N -0.89 1.23 3.67 3.28 0.00 -0.85 -3.52 105.19 108.10 3gpw n GLY 117 Ca 0.31 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.89 3gpw n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ILE 119 N 4.35 4.87 -0.30 0.00 1.01 -1.26 -2.47 121.20 127.41 3gpw s ILE 119 Ca 0.90 2.00 -0.01 0.00 0.00 0.00 0.00 60.65 63.53 3gpw s ILE 119 Cb -0.50 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 37.73 3gpw s ILE 119 CO 0.45 0.14 -0.00 -0.62 0.00 0.00 0.00 174.94 174.91 3gpw s ASP 120 N 1.01 4.86 -0.65 3.58 3.68 0.11 -4.98 116.67 124.28 3gpw s ASP 120 Ca 0.50 -1.33 -0.04 0.00 2.13 0.00 0.00 52.55 53.81 3gpw s ASP 120 Cb -0.20 -1.70 0.17 0.00 -1.45 0.00 0.00 42.92 39.74 3gpw s ASP 120 CO 0.26 -0.27 0.48 -0.70 0.13 0.00 0.00 175.17 175.07 3gpw s GLU 121 N 1.23 2.70 0.32 4.34 2.12 -1.26 -0.35 118.70 127.81 3gpw s GLU 121 Ca -0.05 -2.52 -0.03 0.00 0.36 0.00 0.00 54.97 52.73 3gpw s GLU 121 Cb -0.20 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 3gpw s GLU 121 CO -0.02 -1.19 0.57 0.00 -0.54 0.00 0.00 175.26 174.08 3gpw s ALA 122 N -0.04 3.63 -0.11 6.30 0.00 -1.26 -5.01 121.76 125.27 3gpw s ALA 122 Ca 0.17 -0.66 0.16 0.00 0.00 0.00 0.00 51.96 51.63 3gpw s ALA 122 Cb -0.19 -2.26 -0.17 0.00 0.00 0.00 0.00 23.12 20.50 3gpw s ALA 122 CO -0.04 0.11 0.72 0.36 0.00 0.00 0.00 175.76 176.92 3gpw n LYS 12 N -1.30 0.63 0.00 0.00 2.85 -1.26 -4.56 118.16 114.52 3gpw n LYS 12 Ca -0.02 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 3gpw n LYS 12 Cb 0.55 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 3gpw n LYS 12 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3gpw n ASP 123 N -2.90 0.00 -4.04 -5.58 5.68 -1.26 -4.48 116.55 103.97 3gpw n ASP 123 Ca -0.13 0.12 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 3gpw n ASP 123 Cb 0.91 -0.29 -0.08 0.00 -1.14 0.00 0.00 41.12 40.52 3gpw n ASP 123 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3gpw s PHE 124 N -0.57 0.60 -0.07 2.11 -0.12 -1.26 -1.58 117.98 117.08 3gpw s PHE 124 Ca 0.00 -0.96 -0.05 0.00 -0.05 0.00 0.00 56.93 55.87 3gpw s PHE 124 Cb 0.00 -0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.19 3gpw s PHE 124 CO 0.00 -0.65 0.18 0.42 -0.05 0.00 0.00 175.22 175.12 3gpw s ILE 125 N -4.01 -0.03 0.18 -4.49 1.01 -0.46 -4.78 121.20 108.63 3gpw s ILE 125 Ca 0.21 0.10 0.09 0.00 0.00 0.00 0.00 60.65 61.05 3gpw s ILE 125 Cb 0.05 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 3gpw s ILE 125 CO 0.01 0.04 -0.19 0.68 0.00 0.00 0.00 174.94 175.48 3gpw s VAL 126 N 0.73 1.97 -0.09 2.92 -7.23 -1.26 -1.23 120.40 116.21 3gpw s VAL 126 Ca -0.05 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.82 3gpw s VAL 126 Cb -0.07 -1.95 0.07 0.00 0.56 0.00 0.00 36.38 34.99 3gpw s VAL 126 CO -0.04 -0.31 0.68 -0.55 -0.31 0.00 0.00 175.10 174.57 3gpw s SER 127 N -2.79 -0.67 0.00 4.85 0.15 -0.58 -5.01 113.70 109.66 3gpw s SER 127 Ca 0.18 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.68 3gpw s SER 127 Cb -0.06 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 3gpw s SER 127 CO 0.08 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.59 3gpw n GLY 128 N 1.26 0.51 0.08 9.45 0.00 -1.26 -1.33 105.19 113.90 3gpw n GLY 128 Ca -0.18 -2.31 0.09 0.00 0.00 0.00 0.00 46.02 43.61 3gpw n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpw n THR 129 N -0.78 1.04 -1.67 2.61 -2.24 -0.74 -2.26 114.28 110.23 3gpw n THR 129 Ca 0.00 0.34 0.01 0.00 -2.27 0.00 0.00 64.05 62.12 3gpw n THR 129 Cb 0.00 -1.23 0.18 0.00 -2.10 0.00 0.00 70.33 67.18 3gpw n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gpw n ALA 130 N -1.66 3.91 -0.02 6.98 0.00 -1.26 -4.79 120.51 123.66 3gpw n ALA 130 Ca 0.02 -3.39 -0.01 0.00 0.00 0.00 0.00 53.44 50.06 3gpw n ALA 130 Cb 0.16 -0.34 0.27 0.00 0.00 0.00 0.00 19.45 19.54 3gpw n ALA 130 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gpw h SER 131 N 1.21 0.53 -0.01 0.00 4.64 -1.72 -0.05 113.55 118.15 3gpw h SER 131 Ca 0.07 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3gpw h SER 131 Cb 1.10 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3gpw h SER 131 CO 0.13 0.60 0.01 0.44 -0.87 0.00 0.00 176.83 177.14 3gpw h ASP 132 N 0.54 0.02 -0.70 4.97 3.45 -1.87 0.35 116.42 123.18 3gpw h ASP 132 Ca 0.11 -0.12 0.04 0.00 0.43 0.00 0.00 57.03 57.49 3gpw h ASP 132 Cb 0.35 -0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.07 3gpw h ASP 132 CO 0.01 0.13 0.43 1.56 -1.57 0.00 0.00 179.24 179.80 3gpw h GLN 133 N -0.10 0.81 -0.95 3.56 7.50 -1.86 -1.85 115.11 122.22 3gpw h GLN 133 Ca 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3gpw h GLN 133 Cb 0.12 -0.18 -0.05 0.00 0.05 0.00 0.00 27.48 27.42 3gpw h GLN 133 CO -0.00 0.54 0.61 -0.07 -1.50 0.00 0.00 178.83 178.41 3gpw h LEU 134 N 0.84 1.11 -0.62 1.46 3.38 -0.58 -0.29 115.31 120.60 3gpw h LEU 134 Ca 0.29 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3gpw h LEU 134 Cb 0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3gpw h LEU 134 CO -0.12 0.82 0.33 -0.26 0.09 0.00 0.00 178.44 179.30 3gpw h PHE 135 N 1.30 0.87 -0.37 1.13 0.04 -0.28 0.08 116.94 119.71 3gpw h PHE 135 Ca 0.35 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 61.07 3gpw h PHE 135 Cb -0.12 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.74 3gpw h PHE 135 CO -0.00 0.64 0.15 0.78 -0.60 0.00 0.00 178.31 179.28 3gpw h GLY 136 N 0.85 0.59 0.94 -1.45 0.00 -0.71 -0.35 103.07 102.94 3gpw h GLY 136 Ca 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3gpw h GLY 136 CO -0.03 0.30 -0.12 -0.33 0.00 0.00 0.00 176.54 176.36 3gpw h MET 137 N 0.45 -0.31 0.11 4.80 2.86 -0.80 -3.02 114.93 119.02 3gpw h MET 137 Ca 0.12 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3gpw h MET 137 Cb 0.17 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3gpw h MET 137 CO -0.01 -0.16 -0.05 0.00 1.06 0.00 0.00 176.91 177.74 3gpw h GLU 139 N -0.17 0.37 0.00 0.00 4.57 -1.08 -0.08 114.58 118.19 3gpw h GLU 139 Ca -0.02 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 57.98 3gpw h GLU 139 Cb 0.13 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3gpw h GLU 139 CO 0.03 0.25 -0.96 0.77 -1.18 0.00 0.00 179.01 177.91 3gpw h SER 140 N 0.38 0.00 0.86 1.04 0.02 -1.37 -3.39 113.55 111.09 3gpw h SER 140 Ca 0.45 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3gpw h SER 140 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3gpw h SER 140 CO -0.16 1.28 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.62 3gpw h LEU 141 N -1.00 0.00 -9.79 5.07 3.38 -0.80 -3.46 115.31 108.71 3gpw h LEU 141 Ca -0.24 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.24 3gpw h LEU 141 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3gpw h LEU 141 CO -0.15 0.11 0.29 -0.47 0.09 0.00 0.00 178.44 178.32 3gpw s TYR 142 N -3.75 3.86 -0.02 1.13 5.04 -0.05 -5.01 117.35 118.55 3gpw s TYR 142 Ca 0.00 1.77 -0.11 0.00 -2.44 0.00 0.00 57.07 56.29 3gpw s TYR 142 Cb 0.10 -2.88 0.02 0.00 0.35 0.00 0.00 41.96 39.54 3gpw s TYR 142 CO 0.58 0.39 0.24 -1.83 -1.34 0.00 0.00 175.55 173.60 3gpw s GLU 143 N -1.48 0.54 0.92 4.97 -1.05 -1.26 -4.97 118.70 116.37 3gpw s GLU 143 Ca 0.43 -0.17 -0.11 0.00 -0.15 0.00 0.00 54.97 54.97 3gpw s GLU 143 Cb -0.22 0.24 0.15 0.00 -0.44 0.00 0.00 34.13 33.85 3gpw s GLU 143 CO 0.27 -0.13 1.11 -2.14 0.95 0.00 0.00 175.26 175.32 3gpw s PRO 144 N -1.10 0.99 -1.51 -4.83 0.02 -1.26 -4.22 135.00 123.09 3gpw s PRO 144 Ca -0.12 1.31 -0.16 0.00 0.02 0.00 0.00 61.00 62.05 3gpw s PRO 144 Cb -0.05 -1.74 0.15 0.00 0.02 0.00 0.00 34.50 32.87 3gpw s PRO 144 CO 0.03 -2.57 0.61 0.09 -0.33 0.00 0.00 177.00 174.83 3gpw n ASN 145 N -4.17 -2.89 -4.77 2.53 4.13 -1.26 -4.94 115.26 103.88 3gpw n ASN 145 Ca 0.10 -0.80 -0.36 0.00 1.68 0.00 0.00 54.58 55.19 3gpw n ASN 145 Cb 0.53 -2.41 -0.01 0.00 -1.54 0.00 0.00 39.78 36.34 3gpw n ASN 145 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gpw s LEU 146 N -6.90 3.97 0.58 3.41 1.43 -1.26 -4.17 118.68 115.75 3gpw s LEU 146 Ca 0.63 2.21 -0.15 0.00 -1.03 0.00 0.00 54.13 55.80 3gpw s LEU 146 Cb -0.35 -4.32 -0.05 0.00 0.03 0.00 0.00 46.19 41.51 3gpw s LEU 146 CO 0.78 -0.89 1.03 -1.61 0.23 0.00 0.00 176.35 175.88 3gpw s GLU 147 N -2.81 3.51 0.22 1.70 0.41 -1.26 -0.09 118.70 120.39 3gpw s GLU 147 Ca 0.65 1.03 -0.17 0.00 -0.41 0.00 0.00 54.97 56.07 3gpw s GLU 147 Cb -0.26 -2.07 0.23 0.00 -1.78 0.00 0.00 34.13 30.25 3gpw s GLU 147 CO 0.31 -0.64 1.57 -1.35 -0.49 0.00 0.00 175.26 174.66 3gpw h PRO 148 N 0.36 -0.06 -0.24 0.39 0.11 -1.95 0.35 132.00 130.97 3gpw h PRO 148 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3gpw h PRO 148 Cb 1.20 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3gpw h PRO 148 CO 0.59 -0.04 0.12 0.93 -0.21 0.00 0.00 178.00 179.40 3gpw h GLU 149 N -0.06 0.32 0.12 1.05 3.07 -2.00 -1.23 114.58 115.85 3gpw h GLU 149 Ca 0.32 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.99 3gpw h GLU 149 Cb 0.59 -0.07 0.02 0.00 -0.84 0.00 0.00 28.75 28.45 3gpw h GLU 149 CO -0.86 0.25 -0.74 -0.44 -1.40 0.00 0.00 179.01 175.82 3gpw h ASP 150 N 0.33 0.39 -0.43 1.42 3.45 -1.26 -3.24 116.42 117.09 3gpw h ASP 150 Ca 0.09 -0.95 0.04 0.00 0.43 0.00 0.00 57.03 56.64 3gpw h ASP 150 Cb 0.03 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 3gpw h ASP 150 CO -0.01 1.35 0.29 0.25 -1.57 0.00 0.00 179.24 179.54 3gpw h LEU 151 N -0.46 0.35 -0.42 1.55 5.85 -0.16 -1.00 115.31 121.02 3gpw h LEU 151 Ca -0.13 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3gpw h LEU 151 Cb 1.56 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 3gpw h LEU 151 CO 0.12 0.23 0.25 0.15 -0.34 0.00 0.00 178.44 178.86 3gpw h PHE 152 N 0.40 0.55 -0.23 1.25 3.57 -1.30 0.92 116.94 122.10 3gpw h PHE 152 Ca 0.18 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3gpw h PHE 152 Cb 0.21 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3gpw h PHE 152 CO -0.00 0.39 0.10 0.93 -2.23 0.00 0.00 178.31 177.51 3gpw h GLU 153 N 0.55 0.34 0.52 1.11 4.39 -1.24 -1.58 114.58 118.67 3gpw h GLU 153 Ca 0.15 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3gpw h GLU 153 Cb 0.00 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3gpw h GLU 153 CO -0.03 0.36 -0.25 1.15 -1.16 0.00 0.00 179.01 179.08 3gpw h THR 154 N 0.23 0.48 -0.72 1.13 2.02 -1.03 -1.29 112.91 113.74 3gpw h THR 154 Ca 0.08 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3gpw h THR 154 Cb 0.14 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3gpw h THR 154 CO -0.01 0.01 0.40 -0.29 0.37 0.00 0.00 175.52 176.00 3gpw h ILE 155 N -0.73 1.21 -0.65 3.11 2.10 -0.85 -1.53 117.51 120.17 3gpw h ILE 155 Ca -0.07 -0.52 -0.07 0.00 1.08 0.00 0.00 64.86 65.28 3gpw h ILE 155 Cb 0.55 0.23 -0.03 0.00 -1.09 0.00 0.00 36.82 36.49 3gpw h ILE 155 CO 0.12 0.23 0.15 0.28 -1.08 0.00 0.00 178.15 177.85 3gpw h SER 156 N 1.00 1.00 0.31 2.19 0.02 -1.15 -1.23 113.55 115.69 3gpw h SER 156 Ca 0.26 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 3gpw h SER 156 Cb 0.02 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3gpw h SER 156 CO -0.04 0.98 -0.49 1.56 -1.14 0.00 0.00 176.83 177.69 3gpw h GLN 157 N 0.97 0.21 0.06 3.45 1.08 -0.83 -0.87 115.11 119.19 3gpw h GLN 157 Ca 0.20 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3gpw h GLN 157 Cb 0.38 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3gpw h GLN 157 CO 0.00 0.66 -0.03 0.00 -0.95 0.00 0.00 178.83 178.52 3gpw h ALA 158 N 1.32 -0.08 0.46 3.87 0.00 -0.96 -2.41 119.26 121.46 3gpw h ALA 158 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3gpw h ALA 158 Cb 0.93 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gpw h ALA 158 CO 0.07 -0.38 -0.27 1.25 0.00 0.00 0.00 179.25 179.93 3gpw h LEU 159 N -0.41 -0.66 0.09 0.00 5.85 -1.17 -2.73 115.31 116.28 3gpw h LEU 159 Ca -0.01 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3gpw h LEU 159 Cb 0.36 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3gpw h LEU 159 CO 0.01 -0.43 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.19 3gpw h LEU 160 N -0.69 -1.25 -1.58 2.25 4.07 -1.21 -1.00 115.31 115.90 3gpw h LEU 160 Ca -0.05 0.14 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3gpw h LEU 160 Cb 0.55 0.48 -0.00 0.00 1.08 0.00 0.00 40.66 42.77 3gpw h LEU 160 CO 0.07 -0.48 -0.01 0.78 -1.08 0.00 0.00 178.44 177.71 3gpw h ASN 161 N -0.64 0.00 0.34 -0.43 2.35 -1.50 -2.32 115.58 113.38 3gpw h ASN 161 Ca 0.03 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.45 3gpw h ASN 161 Cb 0.67 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.07 3gpw h ASN 161 CO -0.26 0.01 -1.48 0.00 -1.65 0.00 0.00 177.43 174.05 3gpw h ALA 162 N 1.99 -0.05 -0.06 -0.83 0.00 -1.20 -3.28 119.26 115.83 3gpw h ALA 162 Ca -0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 54.91 53.94 3gpw h ALA 162 Cb 0.48 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3gpw h ALA 162 CO 0.00 0.82 -0.21 0.00 0.00 0.00 0.00 179.25 179.86 3gpw h ALA 163 N 0.26 1.54 0.00 0.00 0.00 -0.88 -2.40 119.26 117.78 3gpw h ALA 163 Ca -0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gpw h ALA 163 Cb 2.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3gpw h ALA 163 CO 0.24 0.34 0.00 -0.25 0.00 0.00 0.00 179.25 179.58 3gpw n ASP 164 N -4.25 0.00 -0.44 0.00 10.43 -0.90 -2.13 116.55 119.26 3gpw n ASP 164 Ca -0.02 -0.56 0.04 0.00 2.57 0.00 0.00 54.79 56.82 3gpw n ASP 164 Cb 0.29 -0.11 0.10 0.00 1.84 0.00 0.00 41.12 43.24 3gpw n ASP 164 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3gpw n ARG 165 N -1.11 2.63 -4.02 -1.24 5.12 -0.91 -4.94 116.66 112.20 3gpw n ARG 165 Ca 0.18 -1.80 -0.30 0.00 -1.93 0.00 0.00 57.85 53.99 3gpw n ARG 165 Cb 0.14 -1.19 -0.16 0.00 -1.16 0.00 0.00 32.46 30.09 3gpw n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3gpw s ASP 166 N -0.97 2.70 0.31 0.55 3.68 -0.91 -5.01 116.67 117.03 3gpw s ASP 166 Ca 0.16 -0.50 0.01 0.00 2.13 0.00 0.00 52.55 54.35 3gpw s ASP 166 Cb 0.08 -1.18 0.53 0.00 -1.45 0.00 0.00 42.92 40.90 3gpw s ASP 166 CO 0.11 -0.06 1.93 0.00 0.13 0.00 0.00 175.17 177.29 3gpw h ALA 167 N 8.05 1.51 -0.39 3.66 0.00 -1.92 -2.69 119.26 127.48 3gpw h ALA 167 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3gpw h ALA 167 Cb 1.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3gpw h ALA 167 CO 0.53 0.39 0.00 1.28 0.00 0.00 0.00 179.25 181.45 3gpw n LEU 168 N -4.47 2.13 -4.36 0.00 4.77 -1.26 -4.92 117.00 108.89 3gpw n LEU 168 Ca 0.12 -1.06 -0.19 0.00 -0.03 0.00 0.00 56.01 54.85 3gpw n LEU 168 Cb 0.15 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 3gpw n LEU 168 CO 0.34 0.52 -0.44 -0.44 -1.33 0.00 0.00 177.39 176.04 3gpw s SER 169 N -0.99 2.68 0.00 -1.43 0.01 -1.02 -2.61 113.70 110.34 3gpw s SER 169 Ca 0.26 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.49 3gpw s SER 169 Cb 0.14 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.22 3gpw s SER 169 CO 0.18 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.28 3gpw n GLY 170 N -0.41 0.18 2.42 3.44 0.00 -1.26 -4.78 105.19 104.76 3gpw n GLY 170 Ca -0.08 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 43.93 3gpw n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gpw n TRP 171 N 0.00 -1.08 0.00 1.61 7.02 -1.26 -2.34 117.44 121.40 3gpw n TRP 171 Ca 0.00 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3gpw n TRP 171 Cb 0.00 -3.81 0.00 0.00 -2.42 0.00 0.00 31.31 25.08 3gpw n TRP 171 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3gpw n GLY 172 N -0.99 3.34 3.35 6.99 0.00 -1.26 -4.48 105.19 112.14 3gpw n GLY 172 Ca -0.23 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 3gpw n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ALA 173 N -2.84 -1.14 -0.06 4.61 0.00 -1.26 -0.93 121.76 120.13 3gpw s ALA 173 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 3gpw s ALA 173 Cb 0.00 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.71 3gpw s ALA 173 CO 0.00 -0.59 0.14 0.54 0.00 0.00 0.00 175.76 175.86 3gpw s VAL 174 N -3.18 -0.02 -0.08 0.00 0.11 -0.25 -1.80 120.40 115.17 3gpw s VAL 174 Ca -0.01 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 3gpw s VAL 174 Cb 0.00 -0.22 -0.00 0.00 -1.53 0.00 0.00 36.38 34.63 3gpw s VAL 174 CO -0.08 0.03 -0.23 -0.69 -3.33 0.00 0.00 175.10 170.81 3gpw s VAL 175 N 0.60 1.94 -0.24 2.04 1.01 0.96 -1.92 120.40 124.79 3gpw s VAL 175 Ca -0.04 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3gpw s VAL 175 Cb -0.06 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3gpw s VAL 175 CO -0.03 0.54 0.04 -0.31 0.00 0.00 0.00 175.10 175.34 3gpw s TYR 176 N 0.19 3.06 -0.25 5.22 2.02 0.02 -0.71 117.35 126.90 3gpw s TYR 176 Ca -0.13 -0.52 -0.08 0.00 -0.37 0.00 0.00 57.07 55.97 3gpw s TYR 176 Cb -0.16 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 3gpw s TYR 176 CO 0.06 -0.38 0.10 0.42 -1.57 0.00 0.00 175.55 174.19 3gpw s ILE 177 N 1.51 4.60 -0.10 2.71 -1.09 0.11 -1.77 121.20 127.17 3gpw s ILE 177 Ca 0.06 -0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.43 3gpw s ILE 177 Cb -0.15 -3.15 -0.01 0.00 -1.58 0.00 0.00 42.46 37.57 3gpw s ILE 177 CO 0.02 0.33 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.24 3gpw s ILE 178 N 1.52 2.55 0.19 2.92 1.01 0.78 -1.31 121.20 128.86 3gpw s ILE 178 Ca 0.06 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.89 3gpw s ILE 178 Cb -0.15 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 3gpw s ILE 178 CO 0.05 0.55 -0.05 -0.54 0.00 0.00 0.00 174.94 174.96 3gpw s LYS 179 N 0.17 1.19 0.27 2.79 1.02 -0.01 -1.50 119.74 123.68 3gpw s LYS 179 Ca -0.11 -1.56 -0.04 0.00 0.02 0.00 0.00 55.97 54.28 3gpw s LYS 179 Cb -0.16 -0.58 0.55 0.00 -0.52 0.00 0.00 37.83 37.13 3gpw s LYS 179 CO 0.06 -0.03 1.61 0.87 -0.92 0.00 0.00 175.35 176.94 3gpw h LYS 181 N 2.63 0.07 0.05 1.68 1.79 -1.94 -3.18 116.57 117.67 3gpw h LYS 181 Ca -0.37 -0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.73 3gpw h LYS 181 Cb 1.21 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 3gpw h LYS 181 CO 0.64 0.04 -2.07 -0.40 -1.08 0.00 0.00 179.45 176.58 3gpw n ASP 182 N -5.41 2.02 -4.35 0.86 5.75 -1.26 -5.03 116.55 109.13 3gpw n ASP 182 Ca 0.17 0.17 -0.19 0.00 -0.01 0.00 0.00 54.79 54.93 3gpw n ASP 182 Cb 0.58 -0.75 -0.10 0.00 -1.03 0.00 0.00 41.12 39.81 3gpw n ASP 182 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3gpw s GLU 183 N -2.51 1.34 -0.05 0.11 -1.05 -1.20 -5.14 118.70 110.20 3gpw s GLU 183 Ca -0.29 -1.60 -0.01 0.00 -0.15 0.00 0.00 54.97 52.92 3gpw s GLU 183 Cb 0.08 -1.11 0.03 0.00 -0.44 0.00 0.00 34.13 32.69 3gpw s GLU 183 CO 0.66 0.17 0.03 0.08 0.95 0.00 0.00 175.26 177.14 3gpw s VAL 184 N -2.98 0.12 -0.09 1.83 1.01 -1.26 -0.83 120.40 118.20 3gpw s VAL 184 Ca 0.23 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 3gpw s VAL 184 Cb -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3gpw s VAL 184 CO 0.07 0.20 -0.03 -0.69 0.00 0.00 0.00 175.10 174.65 3gpw s VAL 185 N 1.84 4.00 -0.18 2.92 1.01 -0.43 -4.96 120.40 124.60 3gpw s VAL 185 Ca 0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 3gpw s VAL 185 Cb -0.12 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.59 3gpw s VAL 185 CO -0.04 0.58 -0.16 -0.75 0.00 0.00 0.00 175.10 174.74 3gpw s LYS 186 N -0.62 3.12 -0.06 2.72 2.20 -1.26 -0.71 119.74 125.13 3gpw s LYS 186 Ca 0.10 -0.77 0.05 0.00 -0.36 0.00 0.00 55.97 54.98 3gpw s LYS 186 Cb -0.12 -2.67 -0.00 0.00 -1.51 0.00 0.00 37.83 33.53 3gpw s LYS 186 CO 0.02 -0.15 -0.20 1.03 -0.36 0.00 0.00 175.35 175.69 3gpw s ARG 187 N 1.21 2.20 -0.09 4.03 0.52 0.11 -4.96 118.95 121.97 3gpw s ARG 187 Ca 0.02 -0.73 -0.15 0.00 -0.52 0.00 0.00 55.73 54.35 3gpw s ARG 187 Cb -0.14 -1.84 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 3gpw s ARG 187 CO -0.08 0.26 0.39 0.71 0.02 0.00 0.00 175.30 176.61 3gpw s TYR 188 N 0.06 3.58 0.29 -0.53 1.51 -1.26 -0.02 117.35 120.98 3gpw s TYR 188 Ca -0.07 0.84 0.01 0.00 -1.01 0.00 0.00 57.07 56.84 3gpw s TYR 188 Cb -0.13 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.30 3gpw s TYR 188 CO 0.04 0.37 0.48 -0.51 -1.11 0.00 0.00 175.55 174.82 3gpw s LEU 189 N -0.08 4.12 -0.25 -1.29 1.43 -0.75 -4.99 118.68 116.88 3gpw s LEU 189 Ca 0.22 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.59 3gpw s LEU 189 Cb -0.15 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 3gpw s LEU 189 CO 0.09 -0.19 0.13 -0.75 0.23 0.00 0.00 176.35 175.86 3gpw s LYS 190 N -4.03 3.89 0.29 1.70 2.20 -1.26 -4.28 119.74 118.24 3gpw s LYS 190 Ca 0.38 -0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 55.59 3gpw s LYS 190 Cb -0.10 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 3gpw s LYS 190 CO 0.33 -0.07 0.40 0.00 -0.36 0.00 0.00 175.35 175.64 3gpw s MET 191 N 1.38 1.66 0.74 4.03 0.23 -1.26 -5.08 119.30 120.99 3gpw s MET 191 Ca 0.06 -1.61 -0.16 0.00 -1.03 0.00 0.00 55.69 52.96 3gpw s MET 191 Cb -0.15 0.41 -0.00 0.00 -1.53 0.00 0.00 34.83 33.56 3gpw s MET 191 CO 0.06 -0.66 0.79 0.54 -2.03 0.00 0.00 175.02 173.72 3gpw n ARG 192 N -0.46 0.36 -1.00 3.16 1.74 -1.26 -4.87 116.66 114.33 3gpw n ARG 192 Ca 0.01 0.17 -0.01 0.00 -0.77 0.00 0.00 57.85 57.25 3gpw n ARG 192 Cb 0.63 -2.07 0.16 0.00 -1.02 0.00 0.00 32.46 30.15 3gpw n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3gpw n GLN 193 N -1.53 2.00 0.00 5.56 1.13 -1.26 -4.17 117.38 119.11 3gpw n GLN 193 Ca 0.12 -3.46 0.00 0.00 -1.94 0.00 0.00 57.00 51.71 3gpw n GLN 193 Cb 0.50 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 29.14 3gpw n GLN 193 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22