#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw h SER 5 N 0.00 0.12 -0.78 1.61 0.02 -2.06 -3.37 113.55 109.08 3gpw h SER 5 Ca 0.00 -0.19 0.30 0.00 -0.84 0.00 0.00 61.79 61.06 3gpw h SER 5 Cb 0.00 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 62.36 3gpw h SER 5 CO 0.00 1.17 0.33 -1.14 -1.14 0.00 0.00 176.83 176.05 3gpw n ARG 6 N -3.23 -0.05 -0.34 3.45 0.63 -1.26 0.12 116.66 115.98 3gpw n ARG 6 Ca -0.15 1.10 0.23 0.00 -0.92 0.00 0.00 57.85 58.11 3gpw n ARG 6 Cb 1.03 -1.92 0.48 0.00 0.45 0.00 0.00 32.46 32.50 3gpw n ARG 6 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3gpw h ARG 7 N 0.00 0.40 -0.66 -0.14 2.43 -2.08 -1.57 114.38 112.76 3gpw h ARG 7 Ca 0.62 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 3gpw h ARG 7 Cb 1.58 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 3gpw h ARG 7 CO -0.63 0.27 0.00 0.66 -1.51 0.00 0.00 179.97 178.76 3gpw n TYR 8 N -4.73 0.87 -2.75 2.20 4.02 0.12 -4.93 117.16 111.96 3gpw n TYR 8 Ca 0.27 -0.44 -0.43 0.00 -0.01 0.00 0.00 57.90 57.30 3gpw n TYR 8 Cb 0.89 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.18 3gpw n TYR 8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3gpw s ASP 9 N -1.11 6.74 0.51 7.72 3.68 -0.59 -4.92 116.67 128.70 3gpw s ASP 9 Ca 0.47 0.69 0.30 0.00 2.13 0.00 0.00 52.55 56.14 3gpw s ASP 9 Cb 0.25 -2.49 1.26 0.00 -1.45 0.00 0.00 42.92 40.49 3gpw s ASP 9 CO 0.33 -0.90 1.96 0.28 0.13 0.00 0.00 175.17 176.97 3gpw h SER 10 N 8.44 0.00 -5.14 -0.34 0.02 -1.92 -3.48 113.55 111.14 3gpw h SER 10 Ca -0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3gpw h SER 10 Cb 1.07 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.63 3gpw h SER 10 CO 1.01 0.10 -0.06 0.54 -1.14 0.00 0.00 176.83 177.28 3gpw n ARG 11 N -3.29 -1.26 0.00 3.45 1.74 -1.26 -4.90 116.66 111.15 3gpw n ARG 11 Ca -0.00 1.35 0.07 0.00 -0.77 0.00 0.00 57.85 58.49 3gpw n ARG 11 Cb 0.33 -5.35 0.31 0.00 -1.02 0.00 0.00 32.46 26.73 3gpw n ARG 11 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3gpw n THR 12 N -1.81 0.89 -2.17 0.55 -2.24 -1.26 -3.71 114.28 104.53 3gpw n THR 12 Ca -0.01 0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.77 3gpw n THR 12 Cb 0.51 -1.00 0.02 0.00 -2.10 0.00 0.00 70.33 67.76 3gpw n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gpw n THR 13 N -1.41 2.39 -4.22 4.28 -2.24 -1.26 -4.51 114.28 107.31 3gpw n THR 13 Ca 0.05 -4.24 -0.25 0.00 -2.27 0.00 0.00 64.05 57.34 3gpw n THR 13 Cb 0.13 -0.97 -0.08 0.00 -2.10 0.00 0.00 70.33 67.32 3gpw n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3gpw s ILE 14 N -4.69 2.51 0.21 2.28 -4.36 -1.24 -4.84 121.20 111.06 3gpw s ILE 14 Ca 0.48 -1.81 -0.10 0.00 -0.26 0.00 0.00 60.65 58.97 3gpw s ILE 14 Cb 0.40 -2.93 -0.07 0.00 1.25 0.00 0.00 42.46 41.11 3gpw s ILE 14 CO -0.01 -0.10 0.52 -0.36 0.24 0.00 0.00 174.94 175.24 3gpw s PHE 15 N -2.55 3.45 0.66 1.37 0.08 -1.26 -4.04 117.98 115.69 3gpw s PHE 15 Ca 0.38 0.85 -0.06 0.00 0.12 0.00 0.00 56.93 58.23 3gpw s PHE 15 Cb 0.02 -2.24 0.05 0.00 -0.57 0.00 0.00 43.02 40.28 3gpw s PHE 15 CO 0.21 0.31 0.96 -1.54 -0.10 0.00 0.00 175.22 175.07 3gpw s SER 16 N -2.28 5.03 0.66 1.36 1.04 0.64 -4.88 113.70 115.26 3gpw s SER 16 Ca 0.45 0.45 0.43 0.00 0.48 0.00 0.00 55.95 57.77 3gpw s SER 16 Cb -0.12 -1.20 2.35 0.00 0.10 0.00 0.00 66.02 67.15 3gpw s SER 16 CO 0.21 -1.44 2.35 -0.65 0.98 0.00 0.00 173.24 174.70 3gpw h PRO 17 N -0.44 0.00 -0.01 4.02 0.11 -1.99 0.14 132.00 133.84 3gpw h PRO 17 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gpw h PRO 17 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3gpw h PRO 17 CO 0.59 0.00 -0.10 0.39 -0.21 0.00 0.00 178.00 178.68 3gpw n GLU 18 N -3.15 1.07 -2.40 1.05 4.71 -1.26 -4.93 120.64 115.73 3gpw n GLU 18 Ca -0.03 -0.51 -0.00 0.00 -0.01 0.00 0.00 57.16 56.61 3gpw n GLU 18 Cb 0.08 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 3gpw n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gpw n GLY 19 N 1.23 0.83 3.47 0.62 0.00 0.49 -5.07 105.19 106.76 3gpw n GLY 19 Ca 0.16 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 3gpw n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gpw s ARG 20 N -4.80 1.68 -0.50 1.61 0.52 -1.26 -4.82 118.95 111.37 3gpw s ARG 20 Ca 0.00 -1.68 -0.16 0.00 -0.52 0.00 0.00 55.73 53.37 3gpw s ARG 20 Cb -0.00 -1.82 0.09 0.00 0.52 0.00 0.00 34.95 33.74 3gpw s ARG 20 CO 0.00 0.35 0.46 -0.51 0.02 0.00 0.00 175.30 175.63 3gpw s LEU 21 N -3.28 5.77 0.01 2.53 1.43 -1.26 -0.26 118.68 123.62 3gpw s LEU 21 Ca 0.28 -1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 51.89 3gpw s LEU 21 Cb -0.06 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 3gpw s LEU 21 CO 0.14 -0.76 0.87 -1.22 0.23 0.00 0.00 176.35 175.61 3gpw n TYR 22 N 5.33 -0.02 -0.31 0.29 4.01 -1.26 -1.52 117.16 123.69 3gpw n TYR 22 Ca -0.12 0.06 0.13 0.00 -0.16 0.00 0.00 57.90 57.80 3gpw n TYR 22 Cb 0.42 -0.43 0.31 0.00 -0.31 0.00 0.00 39.34 39.33 3gpw n TYR 22 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3gpw h GLN 23 N 0.00 0.41 -0.24 -0.72 1.08 -1.90 0.50 115.11 114.24 3gpw h GLN 23 Ca 0.01 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3gpw h GLN 23 Cb 0.02 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3gpw h GLN 23 CO -0.04 0.27 0.11 0.28 -0.95 0.00 0.00 178.83 178.50 3gpw h VAL 24 N 0.42 1.16 -0.51 -0.54 2.07 -1.61 0.85 116.25 118.09 3gpw h VAL 24 Ca 0.56 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3gpw h VAL 24 Cb 1.05 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 3gpw h VAL 24 CO -0.52 0.16 0.31 -0.33 0.02 0.00 0.00 177.57 177.21 3gpw h GLU 25 N 0.25 0.60 -0.13 1.57 4.39 -0.01 0.23 114.58 121.47 3gpw h GLU 25 Ca 0.08 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 3gpw h GLU 25 Cb 0.15 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3gpw h GLU 25 CO -0.01 0.39 -0.48 1.88 -1.16 0.00 0.00 179.01 179.63 3gpw h TYR 26 N 0.61 0.42 -0.52 4.33 0.05 -0.79 -1.72 116.97 119.34 3gpw h TYR 26 Ca 0.20 -0.13 -0.10 0.00 0.05 0.00 0.00 58.73 58.75 3gpw h TYR 26 Cb 0.01 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3gpw h TYR 26 CO -0.06 0.76 -0.05 0.00 -1.05 0.00 0.00 178.16 177.76 3gpw h ALA 27 N 1.21 0.71 -0.77 3.88 0.00 -0.32 -1.17 119.26 122.80 3gpw h ALA 27 Ca 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3gpw h ALA 27 Cb 0.95 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3gpw h ALA 27 CO 0.08 0.57 0.40 -0.07 0.00 0.00 0.00 179.25 180.23 3gpw h LEU 28 N 0.83 0.98 -0.90 0.00 3.38 -0.76 -0.40 115.31 118.44 3gpw h LEU 28 Ca 0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gpw h LEU 28 Cb 0.59 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3gpw h LEU 28 CO 0.04 0.81 0.55 -0.08 0.09 0.00 0.00 178.44 179.85 3gpw h GLU 29 N 1.09 1.22 -0.53 1.13 4.57 -0.89 -1.97 114.58 119.21 3gpw h GLU 29 Ca 0.27 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3gpw h GLU 29 Cb 0.07 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 3gpw h GLU 29 CO -0.04 0.85 0.28 1.03 -1.18 0.00 0.00 179.01 179.94 3gpw h SER 30 N 1.24 0.67 -0.06 1.04 0.87 0.01 -2.80 113.55 114.52 3gpw h SER 30 Ca 0.32 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3gpw h SER 30 Cb -0.07 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 3gpw h SER 30 CO -0.06 0.59 0.00 0.40 -0.53 0.00 0.00 176.83 177.23 3gpw h ILE 31 N 0.71 1.08 0.00 2.23 1.08 -0.41 -2.61 117.51 119.58 3gpw h ILE 31 Ca 0.18 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3gpw h ILE 31 Cb 0.08 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3gpw h ILE 31 CO -0.03 0.10 0.00 -1.54 -0.69 0.00 0.00 178.15 175.99 3gpw n SER 32 N -4.44 0.00 -0.79 1.72 3.41 -0.82 -1.25 113.62 111.45 3gpw n SER 32 Ca -0.01 0.37 0.09 0.00 -0.26 0.00 0.00 58.87 59.06 3gpw n SER 32 Cb 0.14 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 63.79 3gpw n SER 32 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3gpw n HIS 33 N -1.42 0.22 -3.10 7.33 8.25 -0.98 -3.14 115.22 122.36 3gpw n HIS 33 Ca 0.03 -0.15 -0.32 0.00 -0.26 0.00 0.00 57.72 57.02 3gpw n HIS 33 Cb 0.10 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 3gpw n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gpw s ALA 34 N -1.32 3.35 0.38 -1.41 0.00 -0.38 -4.85 121.76 117.53 3gpw s ALA 34 Ca 0.25 -0.03 -0.24 0.00 0.00 0.00 0.00 51.96 51.93 3gpw s ALA 34 Cb 0.16 -2.73 -0.13 0.00 0.00 0.00 0.00 23.12 20.42 3gpw s ALA 34 CO 0.23 0.28 0.74 0.41 0.00 0.00 0.00 175.76 177.42 3gpw n GLY 35 N -0.54 -0.98 3.77 0.00 0.00 -1.26 -1.26 105.19 104.92 3gpw n GLY 35 Ca 0.03 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3gpw n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gpw s THR 36 N -1.30 3.54 -0.03 2.61 2.01 -1.26 -4.40 115.64 116.81 3gpw s THR 36 Ca 0.62 1.38 0.04 0.00 0.31 0.00 0.00 61.69 64.04 3gpw s THR 36 Cb -0.64 -3.81 -0.00 0.00 0.01 0.00 0.00 72.50 68.05 3gpw s THR 36 CO 0.58 0.20 -0.14 0.00 -0.69 0.00 0.00 174.62 174.58 3gpw s ALA 37 N -1.37 1.21 0.06 7.40 0.00 -0.44 -0.46 121.76 128.15 3gpw s ALA 37 Ca 0.51 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.01 3gpw s ALA 37 Cb -0.28 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3gpw s ALA 37 CO 0.36 0.24 -0.26 0.42 0.00 0.00 0.00 175.76 176.52 3gpw s ILE 38 N -0.02 2.23 -0.10 0.00 -1.09 0.23 -1.42 121.20 121.03 3gpw s ILE 38 Ca -0.01 -1.44 -0.01 0.00 -2.23 0.00 0.00 60.65 56.97 3gpw s ILE 38 Cb -0.09 -1.90 0.03 0.00 -1.58 0.00 0.00 42.46 38.92 3gpw s ILE 38 CO 0.01 0.31 -0.04 -0.83 -1.23 0.00 0.00 174.94 173.16 3gpw s GLY 39 N -1.41 0.68 -0.11 6.18 0.00 0.17 -1.36 107.32 111.47 3gpw s GLY 39 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.46 3gpw s GLY 39 CO 0.03 0.97 -0.11 -0.42 0.00 0.00 0.00 173.10 173.58 3gpw s ILE 40 N 1.82 1.20 -0.25 0.90 1.01 0.02 -0.01 121.20 125.89 3gpw s ILE 40 Ca 0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 3gpw s ILE 40 Cb -0.13 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 3gpw s ILE 40 CO -0.07 0.39 0.26 -0.32 0.00 0.00 0.00 174.94 175.20 3gpw s MET 41 N 1.38 4.05 0.50 2.79 -2.45 0.18 -0.73 119.30 125.03 3gpw s MET 41 Ca -0.00 -0.12 0.07 0.00 -1.25 0.00 0.00 55.69 54.39 3gpw s MET 41 Cb -0.13 -3.59 0.07 0.00 1.25 0.00 0.00 34.83 32.42 3gpw s MET 41 CO -0.06 -0.09 0.58 0.00 1.05 0.00 0.00 175.02 176.50 3gpw n ALA 42 N 4.73 0.96 0.08 4.11 0.00 0.65 -4.86 120.51 126.20 3gpw n ALA 42 Ca -0.12 -1.89 -0.09 0.00 0.00 0.00 0.00 53.44 51.34 3gpw n ALA 42 Cb 0.52 0.62 -0.03 0.00 0.00 0.00 0.00 19.45 20.55 3gpw n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gpw h SER 43 N 0.27 0.26 -0.31 0.00 4.64 -1.79 -3.30 113.55 113.31 3gpw h SER 43 Ca -0.27 -0.22 -0.10 0.00 -0.47 0.00 0.00 61.79 60.73 3gpw h SER 43 Cb 1.11 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 3gpw h SER 43 CO 0.39 1.04 -0.03 -0.90 -0.87 0.00 0.00 176.83 176.47 3gpw n ASP 44 N -3.62 3.06 0.00 4.97 3.85 -1.26 -5.01 116.55 118.54 3gpw n ASP 44 Ca -0.04 -3.43 0.00 0.00 -0.71 0.00 0.00 54.79 50.61 3gpw n ASP 44 Cb 0.84 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 3gpw n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gpw n GLY 45 N -0.90 -2.25 3.03 6.12 0.00 -1.25 -4.29 105.19 105.66 3gpw n GLY 45 Ca 0.28 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 3gpw n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gpw s ILE 46 N -2.32 0.58 -0.10 -0.61 1.01 -0.89 -0.25 121.20 118.62 3gpw s ILE 46 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.04 3gpw s ILE 46 Cb 0.00 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.92 3gpw s ILE 46 CO 0.00 -0.06 -0.22 -0.69 0.00 0.00 0.00 174.94 173.96 3gpw s VAL 47 N -0.67 1.94 -0.13 2.92 1.01 0.10 -1.31 120.40 124.25 3gpw s VAL 47 Ca -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3gpw s VAL 47 Cb -0.06 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3gpw s VAL 47 CO 0.00 0.53 -0.20 -0.76 0.00 0.00 0.00 175.10 174.68 3gpw s LEU 48 N 0.41 1.98 0.01 3.92 1.43 0.13 -0.80 118.68 125.75 3gpw s LEU 48 Ca -0.18 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 3gpw s LEU 48 Cb -0.18 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3gpw s LEU 48 CO 0.08 0.06 -0.06 0.00 0.23 0.00 0.00 176.35 176.67 3gpw s ALA 49 N 0.84 0.43 0.02 4.21 0.00 -0.47 -0.85 121.76 125.95 3gpw s ALA 49 Ca -0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3gpw s ALA 49 Cb -0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 3gpw s ALA 49 CO -0.01 0.06 0.10 0.00 0.00 0.00 0.00 175.76 175.90 3gpw s ALA 50 N -0.49 -0.17 -0.24 0.00 0.00 -0.82 0.75 121.76 120.79 3gpw s ALA 50 Ca -0.02 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 3gpw s ALA 50 Cb -0.04 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3gpw s ALA 50 CO -0.00 -0.24 0.13 -2.00 0.00 0.00 0.00 175.76 173.65 3gpw s GLU 51 N -1.80 3.93 -0.13 0.00 2.12 0.39 -2.09 118.70 121.12 3gpw s GLU 51 Ca -0.12 -0.34 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 3gpw s GLU 51 Cb -0.06 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 3gpw s GLU 51 CO -0.01 -0.02 1.50 1.03 -0.54 0.00 0.00 175.26 177.22 3gpw s ARG 52 N 1.25 4.12 0.12 4.30 0.52 0.80 -4.17 118.95 125.89 3gpw s ARG 52 Ca 0.06 1.88 -0.30 0.00 -0.52 0.00 0.00 55.73 56.85 3gpw s ARG 52 Cb -0.14 -3.91 -0.06 0.00 0.52 0.00 0.00 34.95 31.35 3gpw s ARG 52 CO 0.05 -0.89 0.99 0.21 0.02 0.00 0.00 175.30 175.68 3gpw s LYS 53 N 3.97 4.67 0.33 3.54 2.20 -1.26 -4.75 119.74 128.45 3gpw s LYS 53 Ca 0.66 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 3gpw s LYS 53 Cb -0.27 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3gpw s LYS 53 CO 0.24 0.18 0.00 0.28 -0.36 0.00 0.00 175.35 175.69 3gpw n VAL 54 N 2.77 -4.76 -3.71 4.02 0.31 -1.26 -5.03 118.33 110.67 3gpw n VAL 54 Ca 0.03 2.21 -0.10 0.00 -0.01 0.00 0.00 64.34 66.46 3gpw n VAL 54 Cb 0.49 -2.86 -0.05 0.00 -0.91 0.00 0.00 33.84 30.51 3gpw n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gpw s THR 55 N -1.98 0.06 0.19 2.52 -4.23 -1.26 -5.13 115.64 105.80 3gpw s THR 55 Ca 0.00 -0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 59.76 3gpw s THR 55 Cb 0.00 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.42 3gpw s THR 55 CO 0.00 -0.26 0.10 -0.55 -0.54 0.00 0.00 174.62 173.37 3gpw s SER 56 N -2.85 0.47 0.26 3.99 0.15 -1.26 -5.02 113.70 109.44 3gpw s SER 56 Ca 0.07 -1.33 0.03 0.00 0.70 0.00 0.00 55.95 55.42 3gpw s SER 56 Cb 0.01 0.30 0.32 0.00 -1.71 0.00 0.00 66.02 64.94 3gpw s SER 56 CO -0.08 -0.77 1.63 0.74 1.20 0.00 0.00 173.24 175.96 3gpw h THR 57 N 2.64 1.32 0.00 6.45 2.02 -2.03 -3.08 112.91 120.24 3gpw h THR 57 Ca -0.36 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.17 3gpw h THR 57 Cb 1.23 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 3gpw h THR 57 CO 0.57 0.50 -0.16 -0.07 0.37 0.00 0.00 175.52 176.73 3gpw h LEU 58 N 0.28 0.00 -9.72 2.58 4.07 -2.06 -3.46 115.31 107.00 3gpw h LEU 58 Ca 0.02 -0.04 -0.52 0.00 0.08 0.00 0.00 57.88 57.41 3gpw h LEU 58 Cb 0.92 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.73 3gpw h LEU 58 CO 0.08 0.02 0.97 -0.22 -1.08 0.00 0.00 178.44 178.21 3gpw s LEU 59 N -4.70 4.36 -0.41 1.67 2.96 -1.17 -4.91 118.68 116.48 3gpw s LEU 59 Ca 0.09 2.92 -0.26 0.00 -0.22 0.00 0.00 54.13 56.66 3gpw s LEU 59 Cb 0.12 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.21 3gpw s LEU 59 CO 0.64 -0.96 0.96 -0.70 -1.32 0.00 0.00 176.35 174.97 3gpw s GLU 60 N 0.46 3.74 -0.00 1.98 2.56 -1.26 -4.91 118.70 121.26 3gpw s GLU 60 Ca 0.70 0.46 0.13 0.00 0.00 0.00 0.00 54.97 56.27 3gpw s GLU 60 Cb -0.49 -3.85 -0.20 0.00 2.00 0.00 0.00 34.13 31.58 3gpw s GLU 60 CO 0.39 -1.09 0.75 0.37 -0.56 0.00 0.00 175.26 175.11 3gpw h GLN 61 N 8.76 0.00 -0.61 4.30 4.15 -1.95 -3.24 115.11 126.52 3gpw h GLN 61 Ca -0.23 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 3gpw h GLN 61 Cb 1.07 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.73 3gpw h GLN 61 CO 1.02 0.46 0.32 -0.44 -1.93 0.00 0.00 178.83 178.26 3gpw h ASP 62 N 0.00 0.76 -0.30 -0.69 5.19 -2.02 -2.36 116.42 117.00 3gpw h ASP 62 Ca -0.24 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 3gpw h ASP 62 Cb 1.88 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 41.20 3gpw h ASP 62 CO 0.07 0.63 0.00 0.41 -3.12 0.00 0.00 179.24 177.23 3gpw n THR 63 N -4.37 0.39 -3.67 0.35 -1.04 -1.26 -4.97 114.28 99.71 3gpw n THR 63 Ca 0.06 -0.60 -0.28 0.00 -2.04 0.00 0.00 64.05 61.18 3gpw n THR 63 Cb 0.11 0.79 -0.03 0.00 -1.82 0.00 0.00 70.33 69.37 3gpw n THR 63 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3gpw s SER 63 N -1.52 6.41 -0.30 8.00 0.15 -0.89 -5.07 113.70 120.48 3gpw s SER 63 Ca 0.36 0.46 -0.06 0.00 0.70 0.00 0.00 55.95 57.41 3gpw s SER 63 Cb 0.21 -2.04 0.18 0.00 -1.71 0.00 0.00 66.02 62.67 3gpw s SER 63 CO 0.30 -0.03 0.80 -0.89 1.20 0.00 0.00 173.24 174.62 3gpw s THR 64 N -1.83 -0.70 0.00 6.45 2.01 -1.26 -5.01 115.64 115.31 3gpw s THR 64 Ca 0.39 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.39 3gpw s THR 64 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 3gpw s THR 64 CO 0.28 0.00 0.23 -1.84 -0.69 0.00 0.00 174.62 172.60 3gpw n GLU 65 N 5.45 -0.02 0.00 4.92 0.28 -1.26 -4.89 120.64 125.11 3gpw n GLU 65 Ca -0.04 -0.23 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 3gpw n GLU 65 Cb 0.52 -0.70 0.00 0.00 1.43 0.00 0.00 31.44 32.69 3gpw n GLU 65 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3gpw n LYS 66 N -0.06 2.03 -3.88 3.44 5.02 -1.26 -4.81 118.16 118.63 3gpw n LYS 66 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3gpw n LYS 66 Cb 0.11 -0.58 -0.14 0.00 -0.02 0.00 0.00 35.03 34.40 3gpw n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gpw s LEU 67 N -1.15 3.19 0.01 -0.35 1.02 -1.26 0.26 118.68 120.39 3gpw s LEU 67 Ca 0.00 -0.56 0.06 0.00 0.02 0.00 0.00 54.13 53.65 3gpw s LEU 67 Cb 0.00 -1.76 -0.02 0.00 0.02 0.00 0.00 46.19 44.43 3gpw s LEU 67 CO 0.00 -0.08 -0.19 -0.31 0.02 0.00 0.00 176.35 175.79 3gpw s TYR 68 N 1.45 1.69 -0.15 0.29 2.02 -0.71 -4.99 117.35 116.95 3gpw s TYR 68 Ca 0.04 -0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.20 3gpw s TYR 68 Cb -0.15 -1.05 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 3gpw s TYR 68 CO -0.02 0.02 0.55 0.21 -1.57 0.00 0.00 175.55 174.74 3gpw s LYS 69 N -0.75 4.28 -0.25 -0.62 2.20 -1.26 -1.24 119.74 122.10 3gpw s LYS 69 Ca 0.07 0.53 0.01 0.00 -0.36 0.00 0.00 55.97 56.22 3gpw s LYS 69 Cb -0.08 -3.50 -0.16 0.00 -1.51 0.00 0.00 37.83 32.58 3gpw s LYS 69 CO 0.00 -0.03 -0.23 1.28 -0.36 0.00 0.00 175.35 176.02 3gpw n LEU 70 N 4.31 2.94 -4.23 5.43 4.77 -0.30 -4.98 117.00 124.93 3gpw n LEU 70 Ca -0.04 -0.12 -0.18 0.00 -0.03 0.00 0.00 56.01 55.64 3gpw n LEU 70 Cb 0.51 -0.88 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 3gpw n LEU 70 CO 0.43 0.91 -0.05 0.21 -1.33 0.00 0.00 177.39 177.56 3gpw s ASN 71 N -6.47 1.45 0.00 -1.43 3.04 -0.57 -4.65 114.94 106.31 3gpw s ASN 71 Ca -0.34 -1.68 0.30 0.00 0.04 0.00 0.00 52.86 51.18 3gpw s ASN 71 Cb 0.09 0.58 1.53 0.00 -1.54 0.00 0.00 41.25 41.91 3gpw s ASN 71 CO 0.58 -1.12 2.04 0.47 -3.04 0.00 0.00 177.10 176.03 3gpw n ASP 72 N -1.48 0.22 0.00 -4.21 8.00 -1.26 -3.43 116.55 114.39 3gpw n ASP 72 Ca 0.06 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.95 3gpw n ASP 72 Cb 0.62 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 3gpw n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gpw n LYS 73 N -1.02 0.27 -3.81 -1.24 5.02 -1.26 -4.57 118.16 111.55 3gpw n LYS 73 Ca 0.18 -0.59 -0.13 0.00 -2.02 0.00 0.00 58.31 55.75 3gpw n LYS 73 Cb 0.22 -0.80 -0.14 0.00 -0.02 0.00 0.00 35.03 34.29 3gpw n LYS 73 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gpw s ILE 74 N -0.22 -0.02 0.10 -0.18 1.01 -1.22 -1.25 121.20 119.42 3gpw s ILE 74 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 3gpw s ILE 74 Cb 0.00 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 3gpw s ILE 74 CO 0.00 0.03 0.01 0.00 0.00 0.00 0.00 174.94 174.97 3gpw s ALA 75 N 0.43 0.78 0.07 9.38 0.00 -0.17 -1.15 121.76 131.11 3gpw s ALA 75 Ca -0.03 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.59 3gpw s ALA 75 Cb -0.05 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 3gpw s ALA 75 CO -0.02 -0.40 -0.10 0.14 0.00 0.00 0.00 175.76 175.38 3gpw s VAL 76 N -3.92 0.84 -0.13 0.00 -7.23 -0.38 -0.82 120.40 108.75 3gpw s VAL 76 Ca 0.16 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 3gpw s VAL 76 Cb 0.07 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 3gpw s VAL 76 CO -0.03 -0.44 -0.07 0.00 -0.31 0.00 0.00 175.10 174.25 3gpw s ALA 77 N -1.90 2.89 -0.06 1.32 0.00 0.29 -1.74 121.76 122.56 3gpw s ALA 77 Ca -0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 3gpw s ALA 77 Cb -0.06 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3gpw s ALA 77 CO 0.00 0.29 0.08 0.08 0.00 0.00 0.00 175.76 176.21 3gpw s VAL 78 N 0.15 4.83 -0.23 0.00 1.01 0.14 -1.52 120.40 124.78 3gpw s VAL 78 Ca -0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 3gpw s VAL 78 Cb -0.14 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.19 3gpw s VAL 78 CO 0.03 0.50 0.11 0.00 0.00 0.00 0.00 175.10 175.75 3gpw s ALA 79 N -1.06 0.52 0.00 5.51 0.00 -0.76 -4.80 121.76 121.17 3gpw s ALA 79 Ca 0.18 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3gpw s ALA 79 Cb -0.12 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.80 3gpw s ALA 79 CO 0.08 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.84 3gpw n GLY 80 N 5.26 0.50 3.62 0.00 0.00 -1.26 -1.58 105.19 111.74 3gpw n GLY 80 Ca -0.07 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 3gpw n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpw s LEU 81 N 0.00 3.80 0.13 0.99 2.01 0.19 -4.92 118.68 120.89 3gpw s LEU 81 Ca 0.00 1.48 -0.22 0.00 0.01 0.00 0.00 54.13 55.40 3gpw s LEU 81 Cb 0.00 -3.53 -0.01 0.00 0.01 0.00 0.00 46.19 42.66 3gpw s LEU 81 CO 0.00 -1.33 1.66 0.74 1.01 0.00 0.00 176.35 178.43 3gpw h THR 82 N 6.27 0.56 -1.01 5.49 2.02 -1.91 -0.61 112.91 123.73 3gpw h THR 82 Ca -0.33 0.00 0.13 0.00 0.77 0.00 0.00 66.41 66.98 3gpw h THR 82 Cb 1.15 0.56 -0.09 0.00 -1.74 0.00 0.00 68.15 68.03 3gpw h THR 82 CO 1.01 0.00 0.63 0.00 0.37 0.00 0.00 175.52 177.54 3gpw h ALA 83 N 0.86 1.54 -0.46 6.16 0.00 -1.99 0.10 119.26 125.48 3gpw h ALA 83 Ca 0.10 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3gpw h ALA 83 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3gpw h ALA 83 CO -0.26 0.19 -0.03 -0.44 0.00 0.00 0.00 179.25 178.71 3gpw h ASP 84 N 0.97 0.81 -0.44 0.00 3.45 -1.76 -2.64 116.42 116.81 3gpw h ASP 84 Ca 0.51 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3gpw h ASP 84 Cb 0.55 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 3gpw h ASP 84 CO -0.28 0.94 0.28 0.00 -1.57 0.00 0.00 179.24 178.61 3gpw h ALA 85 N 0.90 0.55 -0.85 3.45 0.00 0.44 -2.42 119.26 121.33 3gpw h ALA 85 Ca 0.13 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3gpw h ALA 85 Cb 0.54 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3gpw h ALA 85 CO 0.03 0.02 0.56 0.93 0.00 0.00 0.00 179.25 180.79 3gpw h GLU 86 N 0.59 1.03 -0.13 0.00 5.08 -0.74 0.33 114.58 120.74 3gpw h GLU 86 Ca 0.16 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3gpw h GLU 86 Cb -0.05 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 3gpw h GLU 86 CO -0.03 0.68 0.07 0.82 -1.00 0.00 0.00 179.01 179.55 3gpw h ILE 87 N 1.06 1.01 -0.50 3.13 1.08 -1.08 -1.83 117.51 120.38 3gpw h ILE 87 Ca 0.34 -0.05 -0.11 0.00 -0.39 0.00 0.00 64.86 64.65 3gpw h ILE 87 Cb 0.03 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 3gpw h ILE 87 CO -0.10 0.03 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.21 3gpw h LEU 88 N 0.15 0.93 -0.45 1.44 3.38 -1.03 -2.98 115.31 116.75 3gpw h LEU 88 Ca 0.05 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3gpw h LEU 88 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3gpw h LEU 88 CO -0.02 1.04 0.25 0.40 0.09 0.00 0.00 178.44 180.20 3gpw h ILE 89 N 0.83 1.16 -0.56 1.22 2.04 -0.17 -0.23 117.51 121.80 3gpw h ILE 89 Ca 0.13 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.60 3gpw h ILE 89 Cb 0.64 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3gpw h ILE 89 CO 0.04 0.17 0.37 -1.13 0.00 0.00 0.00 178.15 177.60 3gpw h ASN 90 N 0.59 0.63 -0.06 1.72 -1.24 -1.27 0.75 115.58 116.70 3gpw h ASN 90 Ca 0.16 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.06 3gpw h ASN 90 Cb 0.04 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 3gpw h ASN 90 CO -0.03 0.45 -0.23 0.71 -1.29 0.00 0.00 177.43 177.04 3gpw h THR 91 N 0.75 1.26 -0.79 -3.57 1.35 -1.35 -1.64 112.91 108.91 3gpw h THR 91 Ca 0.21 -1.22 -0.02 0.00 -0.55 0.00 0.00 66.41 64.82 3gpw h THR 91 Cb -0.07 1.32 -0.04 0.00 -1.73 0.00 0.00 68.15 67.63 3gpw h THR 91 CO -0.06 0.39 0.42 0.00 -0.25 0.00 0.00 175.52 176.02 3gpw h ALA 92 N 1.33 1.02 -0.68 6.62 0.00 -0.12 -0.86 119.26 126.57 3gpw h ALA 92 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3gpw h ALA 92 Cb 0.64 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3gpw h ALA 92 CO 0.05 0.55 0.24 0.00 0.00 0.00 0.00 179.25 180.09 3gpw h ARG 93 N 1.11 1.03 -0.43 0.00 3.08 -0.25 -2.10 114.38 116.82 3gpw h ARG 93 Ca 0.28 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3gpw h ARG 93 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3gpw h ARG 93 CO -0.04 0.88 0.11 0.82 -1.07 0.00 0.00 179.97 180.67 3gpw h ILE 94 N 0.97 1.23 -0.93 2.04 5.03 -0.89 -2.67 117.51 122.29 3gpw h ILE 94 Ca 0.22 -0.78 0.01 0.00 -0.12 0.00 0.00 64.86 64.19 3gpw h ILE 94 Cb 0.25 0.93 -0.05 0.00 -3.03 0.00 0.00 36.82 34.92 3gpw h ILE 94 CO -0.01 0.28 0.61 -0.74 -0.68 0.00 0.00 178.15 177.60 3gpw h HIS 95 N 0.55 1.18 -0.60 1.37 2.76 -0.97 -0.23 115.15 119.21 3gpw h HIS 95 Ca 0.14 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3gpw h HIS 95 Cb 0.30 -0.40 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 3gpw h HIS 95 CO 0.02 0.75 0.38 0.00 -1.30 0.00 0.00 177.93 177.78 3gpw h ALA 96 N 1.41 0.76 -0.22 5.26 0.00 -1.16 -1.82 119.26 123.49 3gpw h ALA 96 Ca 0.34 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 3gpw h ALA 96 Cb -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3gpw h ALA 96 CO -0.07 0.21 -0.39 1.96 0.00 0.00 0.00 179.25 180.96 3gpw h GLN 97 N 0.81 0.50 -0.62 0.00 1.08 -1.07 -1.57 115.11 114.23 3gpw h GLN 97 Ca 0.22 -0.24 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3gpw h GLN 97 Cb -0.06 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 3gpw h GLN 97 CO -0.04 0.81 0.30 -0.91 -0.95 0.00 0.00 178.83 178.03 3gpw h ASN 98 N 0.41 0.82 -0.09 1.46 2.35 -0.66 0.37 115.58 120.25 3gpw h ASN 98 Ca 0.04 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3gpw h ASN 98 Cb 0.87 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 3gpw h ASN 98 CO 0.07 0.73 0.05 0.22 -1.65 0.00 0.00 177.43 176.85 3gpw h TYR 99 N 0.86 0.12 -0.17 1.19 3.20 -1.17 -0.92 116.97 120.08 3gpw h TYR 99 Ca 0.21 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.12 3gpw h TYR 99 Cb 0.13 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 3gpw h TYR 99 CO 0.00 0.14 -0.08 1.25 -1.64 0.00 0.00 178.16 177.84 3gpw h LEU 100 N 0.06 -0.26 -1.57 2.82 5.85 -0.88 -0.51 115.31 120.81 3gpw h LEU 100 Ca 0.03 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3gpw h LEU 100 Cb 0.06 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3gpw h LEU 100 CO -0.01 -0.10 -0.07 0.50 -0.34 0.00 0.00 178.44 178.42 3gpw h LYS 101 N -0.06 0.19 0.06 1.25 3.64 -0.75 0.93 116.57 121.83 3gpw h LYS 101 Ca 0.09 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 3gpw h LYS 101 Cb 0.19 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3gpw h LYS 101 CO -0.21 0.27 -0.53 1.15 -2.27 0.00 0.00 179.45 177.86 3gpw h THR 102 N 0.18 1.54 -0.00 1.00 2.02 -0.45 -3.39 112.91 113.81 3gpw h THR 102 Ca 0.04 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.95 3gpw h THR 102 Cb 0.25 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 3gpw h THR 102 CO 0.01 0.64 -0.62 -1.22 0.37 0.00 0.00 175.52 174.69 3gpw n TYR 103 N -4.29 0.00 -3.58 3.16 4.01 -0.27 -5.00 117.16 111.19 3gpw n TYR 103 Ca -0.12 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.41 3gpw n TYR 103 Cb 0.67 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.78 3gpw n TYR 103 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3gpw n ASN 104 N -1.21 -4.05 -3.71 7.72 3.02 0.32 -5.00 115.26 112.35 3gpw n ASN 104 Ca 0.03 -0.62 -0.14 0.00 -0.03 0.00 0.00 54.58 53.82 3gpw n ASN 104 Cb 0.23 -4.86 -0.09 0.00 -0.61 0.00 0.00 39.78 34.45 3gpw n ASN 104 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3gpw s GLU 105 N -5.95 0.62 0.41 3.52 2.02 -1.24 -5.07 118.70 113.01 3gpw s GLU 105 Ca 0.31 0.38 -0.26 0.00 0.02 0.00 0.00 54.97 55.42 3gpw s GLU 105 Cb -0.14 0.29 -0.08 0.00 0.10 0.00 0.00 34.13 34.30 3gpw s GLU 105 CO 0.75 -0.12 1.28 -0.51 0.02 0.00 0.00 175.26 176.68 3gpw s ASP 106 N -0.32 6.29 0.13 -0.19 1.01 -1.26 -3.84 116.67 118.49 3gpw s ASP 106 Ca -0.05 2.60 -0.31 0.00 0.71 0.00 0.00 52.55 55.50 3gpw s ASP 106 Cb -0.03 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.17 3gpw s ASP 106 CO 0.03 -0.86 1.55 -0.51 0.21 0.00 0.00 175.17 175.58 3gpw s ILE 107 N -1.30 2.87 0.33 0.77 2.07 -1.26 -4.95 121.20 119.74 3gpw s ILE 107 Ca 0.58 0.57 -0.29 0.00 -1.41 0.00 0.00 60.65 60.10 3gpw s ILE 107 Cb -0.37 -3.36 -0.12 0.00 0.13 0.00 0.00 42.46 38.74 3gpw s ILE 107 CO 0.47 0.03 1.42 -2.65 -1.91 0.00 0.00 174.94 172.30 3gpw n PRO 108 N 4.35 2.38 -0.24 3.50 -0.02 -1.26 -4.87 135.00 138.84 3gpw n PRO 108 Ca 0.14 0.84 0.04 0.00 -2.02 0.00 0.00 63.50 62.50 3gpw n PRO 108 Cb 0.40 -2.51 0.17 0.00 -0.02 0.00 0.00 33.50 31.53 3gpw n PRO 108 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gpw h VAL 109 N 2.88 0.57 -0.67 -1.45 2.07 -1.92 -2.16 116.25 115.56 3gpw h VAL 109 Ca -0.47 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 3gpw h VAL 109 Cb 1.26 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3gpw h VAL 109 CO 0.68 0.05 0.15 -0.08 0.02 0.00 0.00 177.57 178.39 3gpw h GLU 110 N 0.30 1.08 -0.88 1.57 4.81 -1.99 -2.38 114.58 117.08 3gpw h GLU 110 Ca 0.39 -0.27 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3gpw h GLU 110 Cb 0.64 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 3gpw h GLU 110 CO -0.47 0.97 0.53 0.82 -0.73 0.00 0.00 179.01 180.13 3gpw h ILE 111 N 1.00 0.98 -0.35 2.32 2.04 -1.76 0.24 117.51 121.98 3gpw h ILE 111 Ca 0.21 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3gpw h ILE 111 Cb 0.39 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3gpw h ILE 111 CO 0.01 0.17 -0.11 0.25 0.00 0.00 0.00 178.15 178.46 3gpw h LEU 112 N 0.92 0.70 -0.47 1.44 6.46 -1.34 -2.28 115.31 120.76 3gpw h LEU 112 Ca 0.40 -0.38 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 3gpw h LEU 112 Cb 0.28 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 3gpw h LEU 112 CO -0.21 0.92 0.17 0.58 -0.62 0.00 0.00 178.44 179.28 3gpw h VAL 113 N 0.48 1.21 -0.66 1.05 2.07 -0.82 -1.99 116.25 117.59 3gpw h VAL 113 Ca 0.09 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3gpw h VAL 113 Cb 0.63 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3gpw h VAL 113 CO 0.04 0.25 0.33 -0.09 0.02 0.00 0.00 177.57 178.12 3gpw h ARG 114 N 0.61 0.92 -0.09 1.57 2.43 -0.53 -0.54 114.38 118.75 3gpw h ARG 114 Ca 0.15 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3gpw h ARG 114 Cb 0.22 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3gpw h ARG 114 CO -0.01 0.70 0.01 -0.09 -1.51 0.00 0.00 179.97 179.06 3gpw h ARG 115 N 0.92 0.15 -0.77 0.20 9.65 -1.14 0.72 114.38 124.10 3gpw h ARG 115 Ca 0.23 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3gpw h ARG 115 Cb 0.07 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 3gpw h ARG 115 CO -0.03 0.38 0.47 -0.07 2.80 0.00 0.00 179.97 183.52 3gpw h LEU 116 N -0.11 0.93 -1.00 3.80 3.38 -1.14 -1.66 115.31 119.51 3gpw h LEU 116 Ca 0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3gpw h LEU 116 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3gpw h LEU 116 CO 0.00 0.72 -0.18 0.28 0.09 0.00 0.00 178.44 179.35 3gpw h SER 117 N 1.06 0.50 -0.23 -0.43 0.02 -0.96 -2.23 113.55 111.27 3gpw h SER 117 Ca 0.28 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3gpw h SER 117 Cb -0.04 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3gpw h SER 117 CO -0.05 0.70 -0.16 0.44 -1.14 0.00 0.00 176.83 176.61 3gpw h ASP 118 N 0.46 0.66 -0.47 3.07 3.45 -0.30 0.54 116.42 123.83 3gpw h ASP 118 Ca 0.08 -0.21 -0.04 0.00 0.43 0.00 0.00 57.03 57.29 3gpw h ASP 118 Cb 0.58 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3gpw h ASP 118 CO 0.04 0.83 0.12 0.40 -1.57 0.00 0.00 179.24 179.06 3gpw h ILE 119 N 0.60 1.23 -0.30 0.35 2.04 -0.91 -1.98 117.51 118.54 3gpw h ILE 119 Ca 0.10 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3gpw h ILE 119 Cb 0.62 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3gpw h ILE 119 CO 0.04 0.29 0.16 0.11 0.00 0.00 0.00 178.15 178.76 3gpw h LYS 120 N 0.62 0.42 -0.69 2.37 1.57 -1.01 -2.50 116.57 117.36 3gpw h LYS 120 Ca 0.15 -0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.00 3gpw h LYS 120 Cb 0.32 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3gpw h LYS 120 CO 0.00 0.36 0.46 0.37 -0.57 0.00 0.00 179.45 180.08 3gpw h GLN 121 N 0.37 0.40 -0.18 3.15 -0.00 -0.61 -2.03 115.11 116.20 3gpw h GLN 121 Ca 0.11 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.75 3gpw h GLN 121 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.43 3gpw h GLN 121 CO -0.02 0.27 0.05 0.78 0.00 0.00 0.00 178.83 179.91 3gpw h GLY 122 N 0.41 0.22 1.82 2.39 0.00 -0.89 -0.83 103.07 106.19 3gpw h GLY 122 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3gpw h GLY 122 CO -0.10 0.02 0.00 -1.72 0.00 0.00 0.00 176.54 174.74 3gpw n TYR 123 N -5.06 0.00 0.04 5.60 4.02 -0.77 -1.27 117.16 119.73 3gpw n TYR 123 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.91 3gpw n TYR 123 Cb 0.07 -0.41 -0.07 0.00 -0.02 0.00 0.00 39.34 38.91 3gpw n TYR 123 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3gpw n THR 124 N -1.41 0.81 0.02 -0.72 -1.04 -0.33 -4.58 114.28 107.03 3gpw n THR 124 Ca 0.00 -0.62 0.02 0.00 -2.04 0.00 0.00 64.05 61.42 3gpw n THR 124 Cb 0.01 -0.46 -0.04 0.00 -1.82 0.00 0.00 70.33 68.03 3gpw n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3gpw n GLN 125 N -2.70 0.65 -3.67 -2.82 7.27 -0.40 -4.72 117.38 110.99 3gpw n GLN 125 Ca -0.07 -0.04 -0.10 0.00 0.07 0.00 0.00 57.00 56.86 3gpw n GLN 125 Cb 0.71 -1.08 -0.03 0.00 2.41 0.00 0.00 30.24 32.26 3gpw n GLN 125 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 3gpw s HIS 126 N -2.25 -0.29 0.00 3.69 -3.43 -0.98 -4.98 115.29 107.05 3gpw s HIS 126 Ca -0.01 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.20 3gpw s HIS 126 Cb 0.03 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 3gpw s HIS 126 CO 0.20 -0.99 0.00 0.41 -2.00 0.00 0.00 174.74 172.36 3gpw n GLY 127 N -0.39 3.16 2.39 -1.38 0.00 -1.26 -4.45 105.19 103.26 3gpw n GLY 127 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3gpw n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpw n GLY 128 N -1.32 0.83 3.67 -0.02 0.00 -1.26 -5.01 105.19 102.08 3gpw n GLY 128 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 3gpw n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpw s LEU 129 N -3.95 3.32 0.56 0.99 1.43 -1.26 -4.68 118.68 115.09 3gpw s LEU 129 Ca 0.00 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 3gpw s LEU 129 Cb 0.00 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 3gpw s LEU 129 CO 0.00 0.07 1.17 0.00 0.23 0.00 0.00 176.35 177.83 3gpw s ARG 130 N -3.09 3.22 0.99 1.70 1.70 -1.26 -4.83 118.95 117.38 3gpw s ARG 130 Ca 0.28 1.74 -0.15 0.00 -0.47 0.00 0.00 55.73 57.13 3gpw s ARG 130 Cb -0.09 -2.01 0.19 0.00 -0.57 0.00 0.00 34.95 32.47 3gpw s ARG 130 CO 0.19 -0.99 1.20 -2.14 -1.08 0.00 0.00 175.30 172.48 3gpw s PRO 131 N -3.24 0.43 -0.04 3.89 0.02 -1.26 -5.00 135.00 129.80 3gpw s PRO 131 Ca 0.74 -0.07 -0.26 0.00 0.02 0.00 0.00 61.00 61.43 3gpw s PRO 131 Cb -0.28 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3gpw s PRO 131 CO 0.31 -2.61 0.80 -0.06 -0.33 0.00 0.00 177.00 175.11 3gpw s PHE 132 N -3.46 3.61 -1.50 6.54 0.40 -1.26 -4.92 117.98 117.39 3gpw s PHE 132 Ca 0.69 1.42 -0.11 0.00 -0.60 0.00 0.00 56.93 58.33 3gpw s PHE 132 Cb -0.09 -2.92 0.01 0.00 0.51 0.00 0.00 43.02 40.53 3gpw s PHE 132 CO 0.54 0.06 2.53 0.41 0.70 0.00 0.00 175.22 179.45 3gpw n GLY 133 N 3.01 4.48 3.02 4.36 0.00 -1.26 -4.51 105.19 114.29 3gpw n GLY 133 Ca 0.01 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 3gpw n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 134 N 1.93 0.09 -0.03 1.61 1.01 -1.26 -0.64 120.40 123.10 3gpw s VAL 134 Ca 0.57 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3gpw s VAL 134 Cb 0.16 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.25 3gpw s VAL 134 CO -0.07 -0.40 -0.05 -0.44 0.00 0.00 0.00 175.10 174.14 3gpw s SER 135 N -1.27 0.90 0.11 3.32 0.01 -0.62 -2.91 113.70 113.26 3gpw s SER 135 Ca -0.14 -0.13 0.08 0.00 1.31 0.00 0.00 55.95 57.07 3gpw s SER 135 Cb -0.08 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 3gpw s SER 135 CO 0.00 -0.01 -0.13 -0.36 0.41 0.00 0.00 173.24 173.15 3gpw s PHE 136 N 0.58 2.67 -0.18 2.43 0.40 0.50 -1.83 117.98 122.55 3gpw s PHE 136 Ca -0.08 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3gpw s PHE 136 Cb -0.11 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.04 3gpw s PHE 136 CO 0.00 0.42 -0.19 0.42 0.70 0.00 0.00 175.22 176.57 3gpw s ILE 137 N -1.20 2.17 -0.22 0.64 1.01 -0.57 -1.63 121.20 121.39 3gpw s ILE 137 Ca 0.20 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 3gpw s ILE 137 Cb -0.11 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3gpw s ILE 137 CO 0.13 0.53 0.10 -0.31 0.00 0.00 0.00 174.94 175.38 3gpw s TYR 138 N 1.28 3.23 -0.24 3.97 1.51 0.10 -0.55 117.35 126.65 3gpw s TYR 138 Ca 0.04 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 3gpw s TYR 138 Cb -0.13 -2.18 0.04 0.00 -0.11 0.00 0.00 41.96 39.58 3gpw s TYR 138 CO -0.12 0.01 -0.11 0.00 -1.11 0.00 0.00 175.55 174.23 3gpw s ALA 139 N 0.88 2.58 0.33 3.71 0.00 -0.00 -0.88 121.76 128.38 3gpw s ALA 139 Ca 0.05 -1.56 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 3gpw s ALA 139 Cb -0.13 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.44 3gpw s ALA 139 CO 0.03 -0.91 0.55 0.20 0.00 0.00 0.00 175.76 175.62 3gpw s GLY 140 N 1.22 1.01 -0.03 0.00 0.00 -0.94 -1.00 107.32 107.57 3gpw s GLY 140 Ca -0.03 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.47 3gpw s GLY 140 CO -0.06 -0.75 0.09 -0.47 0.00 0.00 0.00 173.10 171.91 3gpw s TYR 141 N -3.11 -0.08 0.20 1.90 6.14 -0.38 -1.29 117.35 120.73 3gpw s TYR 141 Ca 0.25 0.20 -0.08 0.00 0.64 0.00 0.00 57.07 58.08 3gpw s TYR 141 Cb -0.02 0.02 -0.02 0.00 0.42 0.00 0.00 41.96 42.37 3gpw s TYR 141 CO 0.16 -0.06 0.30 0.16 0.64 0.00 0.00 175.55 176.74 3gpw s ASP 142 N -0.07 0.03 -0.02 4.32 1.47 -1.13 -4.80 116.67 116.47 3gpw s ASP 142 Ca -0.01 -1.02 0.05 0.00 1.18 0.00 0.00 52.55 52.75 3gpw s ASP 142 Cb -0.01 0.47 0.18 0.00 -0.34 0.00 0.00 42.92 43.22 3gpw s ASP 142 CO 0.00 -0.95 1.05 -0.90 0.68 0.00 0.00 175.17 175.05 3gpw n ASP 143 N -0.28 1.40 -0.05 2.11 5.75 -1.26 -0.68 116.55 123.54 3gpw n ASP 143 Ca -0.03 -2.07 -0.05 0.00 -0.01 0.00 0.00 54.79 52.62 3gpw n ASP 143 Cb 0.63 -0.26 -0.07 0.00 -1.03 0.00 0.00 41.12 40.40 3gpw n ASP 143 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3gpw n ARG 144 N 0.10 2.22 0.00 0.11 0.63 -1.26 -4.75 116.66 113.71 3gpw n ARG 144 Ca 0.07 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 3gpw n ARG 144 Cb 0.26 -1.23 0.00 0.00 0.45 0.00 0.00 32.46 31.94 3gpw n ARG 144 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3gpw n TYR 14 N -2.40 0.00 -4.94 -0.14 4.01 -1.25 -5.12 117.16 107.32 3gpw n TYR 14 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3gpw n TYR 14 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 3gpw n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gpw n GLY 145 N 0.01 2.73 3.72 2.72 0.00 0.14 -4.64 105.19 109.87 3gpw n GLY 145 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3gpw n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gpw s TYR 146 N 0.00 3.05 0.02 1.61 2.02 -1.26 -2.86 117.35 119.94 3gpw s TYR 146 Ca 0.00 0.68 0.00 0.00 -0.37 0.00 0.00 57.07 57.39 3gpw s TYR 146 Cb 0.00 -3.92 -0.02 0.00 -0.40 0.00 0.00 41.96 37.62 3gpw s TYR 146 CO 0.00 -3.32 -0.04 -0.65 -1.57 0.00 0.00 175.55 169.97 3gpw s GLN 147 N 0.92 0.35 -0.06 -0.62 -0.21 -0.41 -5.01 119.66 114.62 3gpw s GLN 147 Ca 0.68 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.43 3gpw s GLN 147 Cb -0.44 0.02 0.02 0.00 1.00 0.00 0.00 33.01 33.62 3gpw s GLN 147 CO 0.33 -0.03 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.26 3gpw s LEU 148 N -1.47 1.14 0.34 2.90 2.96 -1.26 -2.22 118.68 121.07 3gpw s LEU 148 Ca -0.15 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3gpw s LEU 148 Cb -0.10 -0.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.99 3gpw s LEU 148 CO -0.01 -0.09 0.08 -0.31 -1.32 0.00 0.00 176.35 174.70 3gpw s TYR 149 N 1.29 1.87 -0.15 5.38 2.02 -0.06 -1.16 117.35 126.55 3gpw s TYR 149 Ca -0.05 -1.06 -0.12 0.00 -0.37 0.00 0.00 57.07 55.48 3gpw s TYR 149 Cb -0.14 -1.21 0.04 0.00 -0.40 0.00 0.00 41.96 40.25 3gpw s TYR 149 CO -0.02 -0.10 0.38 -0.08 -1.57 0.00 0.00 175.55 174.16 3gpw s THR 150 N -3.33 -0.01 0.00 -0.71 -1.32 -0.76 0.01 115.64 109.53 3gpw s THR 150 Ca 0.33 0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.87 3gpw s THR 150 Cb 0.07 -0.54 -0.01 0.00 -1.51 0.00 0.00 72.50 70.51 3gpw s THR 150 CO 0.15 0.01 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.58 3gpw s SER 151 N 0.61 0.58 0.38 8.08 1.04 -0.65 -1.93 113.70 121.82 3gpw s SER 151 Ca -0.03 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.27 3gpw s SER 151 Cb -0.05 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 3gpw s SER 151 CO -0.04 0.01 0.07 0.54 0.98 0.00 0.00 173.24 174.80 3gpw s ASN 152 N -0.35 2.86 0.51 7.02 2.20 -1.16 -0.37 114.94 125.65 3gpw s ASN 152 Ca -0.00 -1.50 0.42 0.00 -0.94 0.00 0.00 52.86 50.84 3gpw s ASN 152 Cb -0.03 0.13 1.62 0.00 -2.00 0.00 0.00 41.25 40.97 3gpw s ASN 152 CO -0.00 -0.72 1.59 -0.65 -2.94 0.00 0.00 177.10 174.39 3gpw h PRO 153 N 1.89 0.01 -0.05 3.55 0.11 -1.76 0.87 132.00 136.63 3gpw h PRO 153 Ca -0.40 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 3gpw h PRO 153 Cb 1.26 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3gpw h PRO 153 CO 0.68 0.01 -0.40 0.66 -0.21 0.00 0.00 178.00 178.73 3gpw h SER 154 N 0.01 0.10 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.93 3gpw h SER 154 Ca 0.89 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 62.17 3gpw h SER 154 Cb 3.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 65.33 3gpw h SER 154 CO -0.20 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 3gpw n GLY 155 N -0.30 1.14 3.88 -0.77 0.00 0.30 -4.04 105.19 105.40 3gpw n GLY 155 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3gpw n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gpw s ASN 156 N -2.00 6.57 0.02 1.61 3.04 -1.26 -4.60 114.94 118.32 3gpw s ASN 156 Ca 0.00 0.76 -0.04 0.00 0.04 0.00 0.00 52.86 53.63 3gpw s ASN 156 Cb 0.00 -2.16 -0.01 0.00 -1.54 0.00 0.00 41.25 37.54 3gpw s ASN 156 CO 0.00 0.01 0.05 -0.72 -3.04 0.00 0.00 177.10 173.40 3gpw s TYR 157 N -1.70 0.17 0.12 0.43 -0.85 -1.26 -2.97 117.35 111.29 3gpw s TYR 157 Ca 0.43 -0.38 -0.10 0.00 -0.52 0.00 0.00 57.07 56.51 3gpw s TYR 157 Cb -0.12 -0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.09 3gpw s TYR 157 CO 0.22 -0.25 0.24 0.95 -1.52 0.00 0.00 175.55 175.20 3gpw s THR 158 N -1.61 0.11 0.03 -3.49 -4.23 -0.81 -4.96 115.64 100.69 3gpw s THR 158 Ca -0.14 -1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 59.16 3gpw s THR 158 Cb -0.08 -1.48 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 3gpw s THR 158 CO -0.00 -0.50 0.25 -0.83 -0.54 0.00 0.00 174.62 172.99 3gpw s GLY 159 N -2.89 2.21 0.08 3.99 0.00 -1.26 -1.82 107.32 107.63 3gpw s GLY 159 Ca 0.08 -0.68 -0.05 0.00 0.00 0.00 0.00 44.72 44.07 3gpw s GLY 159 CO -0.08 -0.57 0.09 -0.98 0.00 0.00 0.00 173.10 171.57 3gpw s TRP 160 N -1.40 0.34 -0.12 1.90 0.52 -0.31 -4.99 118.94 114.89 3gpw s TRP 160 Ca 0.31 -0.82 0.15 0.00 0.02 0.00 0.00 56.10 55.76 3gpw s TRP 160 Cb -0.13 -0.21 -0.24 0.00 -1.15 0.00 0.00 33.47 31.74 3gpw s TRP 160 CO 0.20 -0.48 0.38 1.63 0.02 0.00 0.00 176.95 178.71 3gpw n LYS 161 N 0.01 0.66 -3.64 4.98 5.02 -1.26 -4.15 118.16 119.78 3gpw n LYS 161 Ca -0.14 0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 3gpw n LYS 161 Cb 0.62 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 3gpw n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gpw s ALA 162 N -2.55 -1.69 0.19 7.82 0.00 -1.26 0.52 121.76 124.80 3gpw s ALA 162 Ca -0.07 1.91 -0.24 0.00 0.00 0.00 0.00 51.96 53.56 3gpw s ALA 162 Cb 0.07 -1.09 0.05 0.00 0.00 0.00 0.00 23.12 22.15 3gpw s ALA 162 CO 0.83 -0.32 0.89 -1.50 0.00 0.00 0.00 175.76 175.65 3gpw s ILE 163 N 0.32 0.00 0.06 0.00 1.10 0.98 -4.99 121.20 118.67 3gpw s ILE 163 Ca -0.00 -0.76 -0.08 0.00 -0.51 0.00 0.00 60.65 59.30 3gpw s ILE 163 Cb -0.05 -1.99 -0.00 0.00 0.15 0.00 0.00 42.46 40.57 3gpw s ILE 163 CO 0.01 0.00 0.16 -0.94 -2.11 0.00 0.00 174.94 172.06 3gpw s SER 164 N -2.93 0.13 0.03 4.50 1.04 -1.26 0.42 113.70 115.64 3gpw s SER 164 Ca 0.12 -0.58 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 3gpw s SER 164 Cb -0.03 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 3gpw s SER 164 CO 0.04 -0.63 0.03 0.68 0.98 0.00 0.00 173.24 174.33 3gpw s VAL 165 N -3.29 0.14 0.00 5.02 -7.23 -0.51 -4.97 120.40 109.56 3gpw s VAL 165 Ca 0.01 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3gpw s VAL 165 Cb 0.02 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.17 3gpw s VAL 165 CO -0.08 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.68 3gpw n GLY 166 N 0.94 0.35 3.77 2.32 0.00 -1.26 -1.33 105.19 109.98 3gpw n GLY 166 Ca -0.20 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 3gpw n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ALA 167 N -2.00 2.63 -1.52 4.61 0.00 -0.39 -3.98 121.76 121.11 3gpw s ALA 167 Ca 0.00 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 3gpw s ALA 167 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3gpw s ALA 167 CO 0.00 -0.91 0.20 0.09 0.00 0.00 0.00 175.76 175.14 3gpw n ASN 168 N -1.63 0.24 0.09 0.00 3.02 -1.26 -4.63 115.26 111.09 3gpw n ASN 168 Ca 0.11 -1.17 -0.07 0.00 -0.03 0.00 0.00 54.58 53.42 3gpw n ASN 168 Cb 0.51 -2.14 0.07 0.00 -0.61 0.00 0.00 39.78 37.60 3gpw n ASN 168 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gpw h THR 169 N -1.75 1.44 -0.14 3.41 1.35 -1.93 -1.69 112.91 113.60 3gpw h THR 169 Ca -0.64 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 3gpw h THR 169 Cb 1.39 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 70.01 3gpw h THR 169 CO 0.69 0.66 0.09 -1.28 -0.25 0.00 0.00 175.52 175.43 3gpw h SER 170 N 0.14 0.16 -0.43 5.36 0.87 -1.92 0.94 113.55 118.66 3gpw h SER 170 Ca -0.02 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3gpw h SER 170 Cb 1.28 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 3gpw h SER 170 CO 0.11 0.14 0.11 0.00 -0.53 0.00 0.00 176.83 176.66 3gpw h ALA 171 N 1.03 0.57 -0.56 6.23 0.00 -1.94 -2.04 119.26 122.55 3gpw h ALA 171 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3gpw h ALA 171 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3gpw h ALA 171 CO -0.01 0.25 0.16 0.00 0.00 0.00 0.00 179.25 179.64 3gpw h ALA 172 N 0.97 0.73 -0.60 0.00 0.00 -0.86 -2.18 119.26 117.33 3gpw h ALA 172 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3gpw h ALA 172 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3gpw h ALA 172 CO 0.00 0.42 0.05 0.37 0.00 0.00 0.00 179.25 180.08 3gpw h GLN 173 N 0.79 1.02 -0.70 0.00 5.75 1.00 -1.61 115.11 121.36 3gpw h GLN 173 Ca 0.18 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.31 3gpw h GLN 173 Cb 0.31 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3gpw h GLN 173 CO -0.00 0.99 0.16 1.15 -2.65 0.00 0.00 178.83 178.48 3gpw h THR 174 N 0.92 1.26 -0.47 2.39 2.02 -1.24 -0.29 112.91 117.51 3gpw h THR 174 Ca 0.17 -0.98 -0.10 0.00 0.77 0.00 0.00 66.41 66.27 3gpw h THR 174 Cb 0.49 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3gpw h THR 174 CO 0.02 0.38 -0.12 -0.07 0.37 0.00 0.00 175.52 176.09 3gpw h LEU 175 N 1.06 0.86 -0.18 2.58 3.38 -1.19 -2.31 115.31 119.50 3gpw h LEU 175 Ca 0.22 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3gpw h LEU 175 Cb 0.38 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3gpw h LEU 175 CO 0.00 1.00 -0.18 -0.07 0.09 0.00 0.00 178.44 179.28 3gpw h LEU 176 N 0.78 0.48 -0.69 1.67 3.38 -1.08 -2.61 115.31 117.23 3gpw h LEU 176 Ca 0.12 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3gpw h LEU 176 Cb 0.64 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gpw h LEU 176 CO 0.04 0.85 0.00 1.67 0.09 0.00 0.00 178.44 181.10 3gpw n GLN 177 N -4.48 0.12 -0.02 1.13 7.27 -0.14 -1.05 117.38 120.21 3gpw n GLN 177 Ca -0.06 0.46 -0.21 0.00 0.07 0.00 0.00 57.00 57.27 3gpw n GLN 177 Cb 0.39 -1.78 -0.13 0.00 2.41 0.00 0.00 30.24 31.12 3gpw n GLN 177 CO 0.00 0.00 0.00 1.98 0.07 0.00 0.00 177.06 179.11 3gpw h MET 178 N 0.00 0.18 -0.24 3.69 4.05 -1.07 -3.40 114.93 118.14 3gpw h MET 178 Ca 0.00 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.12 3gpw h MET 178 Cb 0.20 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3gpw h MET 178 CO 0.00 1.15 0.00 -0.25 0.23 0.00 0.00 176.91 178.04 3gpw n ASP 179 N -4.03 2.66 -4.78 1.39 8.00 -1.02 -5.00 116.55 113.77 3gpw n ASP 179 Ca -0.26 -1.81 -0.37 0.00 0.71 0.00 0.00 54.79 53.06 3gpw n ASP 179 Cb 0.84 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.72 3gpw n ASP 179 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3gpw s TYR 180 N -1.04 3.62 -0.08 1.24 5.04 -0.22 -5.06 117.35 120.86 3gpw s TYR 180 Ca 0.22 1.76 -0.03 0.00 -2.44 0.00 0.00 57.07 56.57 3gpw s TYR 180 Cb 0.13 -2.96 0.04 0.00 0.35 0.00 0.00 41.96 39.52 3gpw s TYR 180 CO 0.18 0.07 0.17 -1.59 -1.34 0.00 0.00 175.55 173.03 3gpw s LYS 181 N -2.13 0.08 0.31 4.97 -2.85 -1.26 -5.00 119.74 113.86 3gpw s LYS 181 Ca 0.51 0.49 0.18 0.00 -1.00 0.00 0.00 55.97 56.15 3gpw s LYS 181 Cb -0.19 -0.21 1.14 0.00 -2.06 0.00 0.00 37.83 36.51 3gpw s LYS 181 CO 0.24 -0.23 1.33 -0.25 0.10 0.00 0.00 175.35 176.54 3gpw n ASP 182 N 4.77 0.29 -1.00 0.03 10.43 -1.26 0.30 116.55 130.10 3gpw n ASP 182 Ca -0.16 1.39 0.04 0.00 2.57 0.00 0.00 54.79 58.63 3gpw n ASP 182 Cb 0.51 -0.68 0.18 0.00 1.84 0.00 0.00 41.12 42.97 3gpw n ASP 182 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3gpw n ASP 183 N -4.88 2.82 -4.32 -2.24 5.68 -1.26 -4.63 116.55 107.72 3gpw n ASP 183 Ca 0.32 -2.31 -0.32 0.00 -0.50 0.00 0.00 54.79 51.99 3gpw n ASP 183 Cb 1.09 -0.48 0.19 0.00 -1.14 0.00 0.00 41.12 40.78 3gpw n ASP 183 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3gpw n MET 184 N 0.36 -1.76 -4.22 0.11 2.81 0.15 -4.84 117.12 109.73 3gpw n MET 184 Ca 0.13 -0.49 -0.20 0.00 -1.81 0.00 0.00 57.70 55.32 3gpw n MET 184 Cb 0.58 -1.80 -0.12 0.00 -0.71 0.00 0.00 33.22 31.16 3gpw n MET 184 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3gpw s LYS 185 N -3.65 0.95 0.27 0.03 2.36 -1.26 -3.00 119.74 115.44 3gpw s LYS 185 Ca 0.59 -1.05 -0.09 0.00 -2.55 0.00 0.00 55.97 52.86 3gpw s LYS 185 Cb -0.15 -1.05 0.42 0.00 -1.05 0.00 0.00 37.83 36.00 3gpw s LYS 185 CO 0.66 0.24 1.56 0.28 1.55 0.00 0.00 175.35 179.64 3gpw h VAL 186 N 4.16 0.03 -0.86 4.02 2.07 -1.89 0.52 116.25 124.30 3gpw h VAL 186 Ca -0.43 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3gpw h VAL 186 Cb 1.19 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3gpw h VAL 186 CO 0.40 0.00 0.56 0.44 0.02 0.00 0.00 177.57 179.00 3gpw h ASP 187 N -0.00 0.90 0.02 0.57 5.19 -1.97 0.21 116.42 121.35 3gpw h ASP 187 Ca 0.45 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.85 3gpw h ASP 187 Cb 0.70 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.00 3gpw h ASP 187 CO -1.00 0.61 -0.01 0.44 -3.12 0.00 0.00 179.24 176.16 3gpw h ASP 188 N 1.04 -0.03 -0.90 6.45 3.45 -0.45 -2.75 116.42 123.24 3gpw h ASP 188 Ca 0.35 -0.26 0.04 0.00 0.43 0.00 0.00 57.03 57.59 3gpw h ASP 188 Cb 0.07 0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 38.79 3gpw h ASP 188 CO -0.11 0.24 0.58 0.00 -1.57 0.00 0.00 179.24 178.39 3gpw h ALA 189 N 0.66 1.20 -0.74 3.45 0.00 -0.43 -0.02 119.26 123.38 3gpw h ALA 189 Ca -0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3gpw h ALA 189 Cb 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3gpw h ALA 189 CO 0.01 0.42 0.43 0.82 0.00 0.00 0.00 179.25 180.93 3gpw h ILE 190 N 1.12 0.98 -0.29 0.00 2.04 -0.51 -0.03 117.51 120.82 3gpw h ILE 190 Ca 0.36 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 3gpw h ILE 190 Cb 0.03 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3gpw h ILE 190 CO -0.13 0.14 -0.07 -0.08 0.00 0.00 0.00 178.15 178.02 3gpw h GLU 191 N 0.77 0.56 -0.28 2.37 4.81 -0.98 -2.65 114.58 119.18 3gpw h GLU 191 Ca 0.33 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3gpw h GLU 191 Cb 0.21 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3gpw h GLU 191 CO -0.19 0.75 0.11 1.25 -0.73 0.00 0.00 179.01 180.21 3gpw h LEU 192 N 0.32 0.15 -0.21 1.64 6.46 -0.46 -1.47 115.31 121.73 3gpw h LEU 192 Ca 0.07 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 3gpw h LEU 192 Cb 0.55 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 3gpw h LEU 192 CO 0.03 0.12 -0.18 0.00 -0.62 0.00 0.00 178.44 177.79 3gpw h ALA 193 N 1.16 -0.04 -0.69 1.25 0.00 -0.96 0.46 119.26 120.44 3gpw h ALA 193 Ca 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3gpw h ALA 193 Cb 0.07 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3gpw h ALA 193 CO -0.11 -0.60 0.34 -0.07 0.00 0.00 0.00 179.25 178.81 3gpw h LEU 194 N -0.18 0.87 -0.47 0.00 3.38 -1.19 -1.89 115.31 115.83 3gpw h LEU 194 Ca 0.13 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3gpw h LEU 194 Cb 0.37 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3gpw h LEU 194 CO -0.32 0.73 0.01 0.11 0.09 0.00 0.00 178.44 179.06 3gpw h LYS 195 N 0.97 0.81 0.02 1.13 1.79 -0.50 -0.49 116.57 120.30 3gpw h LYS 195 Ca 0.24 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3gpw h LYS 195 Cb 0.09 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3gpw h LYS 195 CO -0.03 0.86 -0.01 1.15 -1.08 0.00 0.00 179.45 180.34 3gpw h THR 196 N 0.67 1.05 -0.68 -0.16 2.02 -0.57 -1.94 112.91 113.30 3gpw h THR 196 Ca 0.13 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3gpw h THR 196 Cb 0.48 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 3gpw h THR 196 CO 0.02 0.06 0.43 -0.07 0.37 0.00 0.00 175.52 176.33 3gpw h LEU 197 N -0.12 0.79 -1.59 2.58 3.38 -1.32 -2.22 115.31 116.81 3gpw h LEU 197 Ca -0.00 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.09 3gpw h LEU 197 Cb 0.11 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3gpw h LEU 197 CO 0.00 0.59 0.51 -1.28 0.09 0.00 0.00 178.44 178.36 3gpw h SER 198 N 0.92 0.38 0.22 -0.43 0.87 -0.79 0.37 113.55 115.09 3gpw h SER 198 Ca 0.25 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3gpw h SER 198 Cb -0.07 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3gpw h SER 198 CO -0.05 0.19 -0.61 0.29 -0.53 0.00 0.00 176.83 176.12 3gpw n LYS 199 N -4.48 0.33 0.00 2.24 5.02 -0.76 -4.24 118.16 116.28 3gpw n LYS 199 Ca 0.15 -0.24 0.05 0.00 -2.02 0.00 0.00 58.31 56.25 3gpw n LYS 199 Cb 0.56 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 3gpw n LYS 199 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gpw n THR 200 N -1.13 0.00 -1.68 -0.18 -2.24 -0.47 -5.02 114.28 103.57 3gpw n THR 200 Ca 0.07 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 3gpw n THR 200 Cb 0.36 1.04 0.03 0.00 -2.10 0.00 0.00 70.33 69.66 3gpw n THR 200 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3gpw n THR 202 N -0.93 3.16 0.76 4.28 -1.04 -0.00 -4.87 114.28 115.64 3gpw n THR 202 Ca 0.03 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.66 3gpw n THR 202 Cb 0.18 -1.42 0.20 0.00 -1.82 0.00 0.00 70.33 67.47 3gpw n THR 202 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3gpw n ASP 203 N -0.31 3.01 -4.99 8.00 8.00 -1.26 -4.93 116.55 124.07 3gpw n ASP 203 Ca 0.10 -1.95 -0.19 0.00 0.71 0.00 0.00 54.79 53.46 3gpw n ASP 203 Cb 0.43 -0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.42 3gpw n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gpw s SER 204 N -1.75 5.73 0.00 -2.24 0.01 -1.26 -5.07 113.70 109.12 3gpw s SER 204 Ca 0.34 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.40 3gpw s SER 204 Cb 0.21 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.45 3gpw s SER 204 CO 0.31 -0.70 0.63 -1.20 0.41 0.00 0.00 173.24 172.70 3gpw n SER 20 N -1.88 0.00 -4.76 2.44 7.64 -1.26 -4.87 113.62 110.93 3gpw n SER 20 Ca 0.04 0.63 -0.26 0.00 1.01 0.00 0.00 58.87 60.29 3gpw n SER 20 Cb 0.59 -0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 3gpw n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gpw s ALA 20 N -2.49 3.79 -0.47 -0.43 0.00 -1.26 -5.09 121.76 115.81 3gpw s ALA 20 Ca 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 51.96 50.21 3gpw s ALA 20 Cb 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 23.12 22.90 3gpw s ALA 20 CO 0.00 -0.19 0.28 -1.17 0.00 0.00 0.00 175.76 174.68 3gpw s LEU 205 N -3.96 5.35 0.39 0.00 2.96 -1.26 -5.07 118.68 117.10 3gpw s LEU 205 Ca 0.34 -2.18 0.08 0.00 -0.22 0.00 0.00 54.13 52.14 3gpw s LEU 205 Cb 0.03 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.85 3gpw s LEU 205 CO 0.19 -0.54 0.53 0.42 -1.32 0.00 0.00 176.35 175.64 3gpw s THR 206 N 0.93 3.31 0.20 3.68 -4.23 -1.26 -4.98 115.64 113.28 3gpw s THR 206 Ca 0.10 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 59.52 3gpw s THR 206 Cb -0.23 -3.12 0.07 0.00 1.34 0.00 0.00 72.50 70.56 3gpw s THR 206 CO -0.04 -0.05 1.66 0.10 -0.54 0.00 0.00 174.62 175.75 3gpw h TYR 207 N 0.73 1.09 0.00 3.99 -0.00 -1.91 -2.80 116.97 118.08 3gpw h TYR 207 Ca -0.42 -0.19 0.00 0.00 -0.00 0.00 0.00 58.73 58.12 3gpw h TYR 207 Cb 1.27 -0.28 0.00 0.00 -0.00 0.00 0.00 36.73 37.72 3gpw h TYR 207 CO 0.41 0.99 0.00 -0.40 -0.00 0.00 0.00 178.16 179.16 3gpw n ASP 208 N -4.17 0.00 -0.39 0.10 5.75 -1.26 -1.21 116.55 115.37 3gpw n ASP 208 Ca 0.02 0.24 0.07 0.00 -0.01 0.00 0.00 54.79 55.11 3gpw n ASP 208 Cb 0.36 -0.28 0.15 0.00 -1.03 0.00 0.00 41.12 40.32 3gpw n ASP 208 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gpw n ARG 209 N -1.28 2.39 -4.22 0.11 1.74 -1.06 -4.95 116.66 109.41 3gpw n ARG 209 Ca 0.01 -2.33 -0.15 0.00 -0.77 0.00 0.00 57.85 54.62 3gpw n ARG 209 Cb 0.02 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 29.90 3gpw n ARG 209 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gpw s LEU 210 N -2.13 2.47 -0.00 0.55 1.43 -0.35 -0.14 118.68 120.50 3gpw s LEU 210 Ca 0.26 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 3gpw s LEU 210 Cb 0.21 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 3gpw s LEU 210 CO 0.06 -0.29 -0.09 -1.61 0.23 0.00 0.00 176.35 174.65 3gpw s GLU 211 N -3.26 0.70 -0.02 1.70 2.02 -0.89 -4.90 118.70 114.05 3gpw s GLU 211 Ca 0.11 -0.35 -0.02 0.00 0.02 0.00 0.00 54.97 54.73 3gpw s GLU 211 Cb -0.00 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.56 3gpw s GLU 211 CO 0.00 0.18 0.05 0.12 0.02 0.00 0.00 175.26 175.64 3gpw s PHE 212 N -0.28 -0.02 -0.05 1.61 5.36 -1.26 -1.94 117.98 121.40 3gpw s PHE 212 Ca 0.03 0.06 -0.16 0.00 -0.96 0.00 0.00 56.93 55.90 3gpw s PHE 212 Cb -0.04 -0.01 0.03 0.00 -0.34 0.00 0.00 43.02 42.67 3gpw s PHE 212 CO -0.00 -0.07 0.36 0.00 -1.46 0.00 0.00 175.22 174.05 3gpw s ALA 213 N -0.24 -0.90 0.02 11.12 0.00 -0.03 0.43 121.76 132.15 3gpw s ALA 213 Ca -0.03 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3gpw s ALA 213 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3gpw s ALA 213 CO 0.00 -0.25 -0.06 0.95 0.00 0.00 0.00 175.76 176.40 3gpw s THR 214 N -0.93 0.44 -0.36 0.00 -4.23 -0.55 -0.70 115.64 109.32 3gpw s THR 214 Ca -0.10 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 3gpw s THR 214 Cb -0.04 -0.44 0.10 0.00 1.34 0.00 0.00 72.50 73.46 3gpw s THR 214 CO 0.04 -0.13 0.10 -0.63 -0.54 0.00 0.00 174.62 173.45 3gpw s ILE 215 N -0.71 2.58 0.35 2.99 1.01 -0.43 -0.40 121.20 126.59 3gpw s ILE 215 Ca -0.04 -2.26 0.09 0.00 0.00 0.00 0.00 60.65 58.44 3gpw s ILE 215 Cb -0.06 -2.86 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 3gpw s ILE 215 CO 0.00 -0.63 0.00 -0.13 0.00 0.00 0.00 174.94 174.19 3gpw s ARG 216 N 0.97 2.04 -0.79 2.79 0.52 -0.34 -2.10 118.95 122.04 3gpw s ARG 216 Ca 0.10 -1.80 0.02 0.00 -0.52 0.00 0.00 55.73 53.53 3gpw s ARG 216 Cb -0.20 -1.88 0.32 0.00 0.52 0.00 0.00 34.95 33.71 3gpw s ARG 216 CO -0.07 0.11 1.27 1.17 0.02 0.00 0.00 175.30 177.81 3gpw n LYS 21 N -0.95 4.03 -0.19 3.54 4.81 -1.26 0.38 118.16 128.52 3gpw n LYS 21 Ca -0.04 -4.75 -0.06 0.00 -0.87 0.00 0.00 58.31 52.59 3gpw n LYS 21 Cb 0.63 -2.35 -0.02 0.00 0.02 0.00 0.00 35.03 33.31 3gpw n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gpw n GLY 21 N 0.10 -0.05 0.33 3.14 0.00 -1.24 -4.65 105.19 102.82 3gpw n GLY 21 Ca 0.36 0.15 0.22 0.00 0.00 0.00 0.00 46.02 46.75 3gpw n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw h ALA 217 N 1.45 1.64 -0.39 4.61 0.00 -1.96 -2.44 119.26 122.17 3gpw h ALA 217 Ca -0.01 0.29 -0.73 0.00 0.00 0.00 0.00 54.91 54.47 3gpw h ALA 217 Cb 0.17 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3gpw h ALA 217 CO 0.17 -0.72 2.67 -1.71 0.00 0.00 0.00 179.25 179.66 3gpw n ASN 218 N -5.35 4.38 0.00 0.00 4.05 -1.26 -4.11 115.26 112.97 3gpw n ASN 218 Ca 0.30 -2.95 0.00 0.00 0.45 0.00 0.00 54.58 52.38 3gpw n ASN 218 Cb 0.99 -1.59 0.00 0.00 1.23 0.00 0.00 39.78 40.41 3gpw n ASN 218 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3gpw n ASP 21 N 5.24 0.00 0.00 1.20 2.03 -0.93 -5.01 116.55 119.08 3gpw n ASP 21 Ca 0.47 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.78 3gpw n ASP 21 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 3gpw n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gpw n GLY 21 N 0.00 0.80 3.78 0.27 0.00 -1.15 -5.11 105.19 103.78 3gpw n GLY 21 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3gpw n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gpw s GLU 219 N -0.42 2.22 -0.06 1.61 2.12 -1.26 -5.05 118.70 117.86 3gpw s GLU 219 Ca 0.00 -1.98 -0.15 0.00 0.36 0.00 0.00 54.97 53.20 3gpw s GLU 219 Cb 0.00 -1.92 -0.05 0.00 0.26 0.00 0.00 34.13 32.42 3gpw s GLU 219 CO 0.00 -0.26 0.38 0.08 -0.54 0.00 0.00 175.26 174.92 3gpw s VAL 21 N -2.69 5.14 -0.07 3.70 1.01 -1.26 -3.70 120.40 122.54 3gpw s VAL 21 Ca 0.33 0.77 0.03 0.00 0.00 0.00 0.00 61.98 63.11 3gpw s VAL 21 Cb 0.02 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3gpw s VAL 21 CO 0.19 0.50 -0.14 -0.47 0.00 0.00 0.00 175.10 175.18 3gpw s TYR 220 N -0.45 1.61 -0.11 5.22 6.04 0.16 -4.97 117.35 124.85 3gpw s TYR 220 Ca 0.22 -0.59 -0.08 0.00 0.04 0.00 0.00 57.07 56.65 3gpw s TYR 220 Cb -0.15 -1.15 -0.04 0.00 -1.04 0.00 0.00 41.96 39.57 3gpw s TYR 220 CO 0.10 -0.29 0.18 -0.65 -1.54 0.00 0.00 175.55 173.35 3gpw s GLN 221 N 0.58 3.57 -0.24 4.97 -0.21 -1.26 -1.20 119.66 125.86 3gpw s GLN 221 Ca -0.14 -0.06 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 3gpw s GLN 221 Cb -0.16 -3.21 0.07 0.00 1.00 0.00 0.00 33.01 30.71 3gpw s GLN 221 CO 0.04 0.72 0.04 0.21 -2.12 0.00 0.00 175.29 174.19 3gpw s LYS 222 N -0.91 0.85 -0.55 2.91 2.20 0.46 -4.97 119.74 119.73 3gpw s LYS 222 Ca 0.16 -0.73 -0.21 0.00 -0.36 0.00 0.00 55.97 54.83 3gpw s LYS 222 Cb -0.13 -2.16 0.06 0.00 -1.51 0.00 0.00 37.83 34.09 3gpw s LYS 222 CO 0.05 -0.74 0.77 0.42 -0.36 0.00 0.00 175.35 175.48 3gpw s ILE 223 N 1.70 4.66 0.32 5.43 1.09 -1.26 -1.48 121.20 131.66 3gpw s ILE 223 Ca 0.01 -0.32 -0.28 0.00 -1.10 0.00 0.00 60.65 58.97 3gpw s ILE 223 Cb -0.17 -4.44 -0.13 0.00 -1.06 0.00 0.00 42.46 36.66 3gpw s ILE 223 CO -0.13 -1.01 1.15 0.49 -0.10 0.00 0.00 174.94 175.34 3gpw n PHE 224 N 6.75 1.79 -3.05 3.97 0.99 0.17 -4.98 117.46 123.10 3gpw n PHE 224 Ca -0.04 0.63 -0.28 0.00 -0.00 0.00 0.00 57.45 57.75 3gpw n PHE 224 Cb 0.46 -2.34 -0.02 0.00 -1.00 0.00 0.00 39.48 36.58 3gpw n PHE 224 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3gpw s LYS 225 N -1.72 3.65 0.12 -1.08 1.02 -1.26 -4.56 119.74 115.90 3gpw s LYS 225 Ca 0.57 0.16 -0.23 0.00 0.02 0.00 0.00 55.97 56.50 3gpw s LYS 225 Cb -0.63 -2.51 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 3gpw s LYS 225 CO 0.61 0.05 1.18 -2.30 -0.92 0.00 0.00 175.35 173.97 3gpw n PRO 226 N -1.38 -0.32 -0.35 -1.68 -0.02 -1.26 0.29 135.00 130.27 3gpw n PRO 226 Ca -0.00 1.16 0.06 0.00 -2.02 0.00 0.00 63.50 62.70 3gpw n PRO 226 Cb 0.54 -1.71 0.22 0.00 -0.02 0.00 0.00 33.50 32.54 3gpw n PRO 226 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3gpw h GLN 227 N 0.00 0.92 -0.82 -0.52 5.75 -1.98 -1.07 115.11 117.39 3gpw h GLN 227 Ca 0.12 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3gpw h GLN 227 Cb 0.30 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 3gpw h GLN 227 CO -0.69 0.61 0.39 0.93 -2.65 0.00 0.00 178.83 177.42 3gpw h GLU 228 N 0.95 1.18 -0.31 1.69 5.08 -0.53 -0.83 114.58 121.80 3gpw h GLU 228 Ca 0.48 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3gpw h GLU 228 Cb 0.46 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3gpw h GLU 228 CO -0.26 0.91 -0.15 0.82 -1.00 0.00 0.00 179.01 179.32 3gpw h ILE 229 N 1.17 1.29 -0.85 3.13 2.04 -0.32 -2.43 117.51 121.54 3gpw h ILE 229 Ca 0.28 -1.26 0.09 0.00 1.00 0.00 0.00 64.86 64.97 3gpw h ILE 229 Cb 0.12 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 3gpw h ILE 229 CO -0.03 0.40 0.50 0.50 0.00 0.00 0.00 178.15 179.52 3gpw h LYS 230 N 0.41 0.83 0.29 2.37 3.64 -0.74 -0.51 116.57 122.86 3gpw h LYS 230 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3gpw h LYS 230 Cb 0.68 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3gpw h LYS 230 CO 0.05 0.55 -0.14 -0.44 -2.27 0.00 0.00 179.45 177.19 3gpw h ASP 231 N 0.85 -0.33 -0.33 4.20 3.45 -1.02 -2.83 116.42 120.40 3gpw h ASP 231 Ca 0.40 0.01 0.10 0.00 0.43 0.00 0.00 57.03 57.97 3gpw h ASP 231 Cb 0.32 0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 3gpw h ASP 231 CO -0.23 -0.21 0.54 -0.29 -1.57 0.00 0.00 179.24 177.48 3gpw h ILE 232 N -0.44 0.19 -0.00 0.35 2.10 -1.36 0.48 117.51 118.83 3gpw h ILE 232 Ca -0.04 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.74 3gpw h ILE 232 Cb 0.30 0.53 -0.02 0.00 -1.09 0.00 0.00 36.82 36.54 3gpw h ILE 232 CO 0.07 0.00 -0.76 0.25 -1.08 0.00 0.00 178.15 176.62 3gpw h LEU 233 N 0.00 0.02 0.02 2.19 5.85 -0.92 -2.51 115.31 119.97 3gpw h LEU 233 Ca 0.16 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3gpw h LEU 233 Cb 1.24 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3gpw h LEU 233 CO -0.00 0.78 -0.11 0.58 -0.34 0.00 0.00 178.44 179.34 3gpw h VAL 234 N 0.01 1.76 -0.18 1.05 2.07 0.16 -0.93 116.25 120.19 3gpw h VAL 234 Ca -0.01 -2.37 0.05 0.00 0.82 0.00 0.00 66.70 65.19 3gpw h VAL 234 Cb 1.35 3.36 -0.06 0.00 -1.52 0.00 0.00 31.29 34.42 3gpw h VAL 234 CO 0.10 0.62 -0.25 0.11 0.02 0.00 0.00 177.57 178.17 3gpw h LYS 235 N -0.92 -0.28 0.00 1.57 1.79 -1.37 0.10 116.57 117.46 3gpw h LYS 235 Ca -0.02 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gpw h LYS 235 Cb 1.08 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3gpw h LYS 235 CO 0.02 -0.18 0.00 0.25 -1.08 0.00 0.00 179.45 178.45 3gpw n THR 236 N -5.37 0.26 -1.98 -0.16 -2.24 -0.94 -4.82 114.28 99.02 3gpw n THR 236 Ca -0.02 0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.81 3gpw n THR 236 Cb 0.29 -0.98 0.01 0.00 -2.10 0.00 0.00 70.33 67.55 3gpw n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpw n GLY 237 N -0.70 0.48 0.00 3.38 0.00 0.36 -4.96 105.19 103.75 3gpw n GLY 237 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3gpw n GLY 237 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gpw n ILE 238 N -1.44 0.00 -0.20 -0.61 5.41 -0.65 -5.04 119.36 116.83 3gpw n ILE 238 Ca -0.02 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.63 3gpw n ILE 238 Cb 0.52 0.84 0.00 0.00 -0.71 0.00 0.00 39.64 40.29 3gpw n ILE 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96