#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 0.16 -0.76 1.61 0.02 -2.06 -3.37 113.55 109.14 3gpw h SER 5 Ca 0.00 -0.26 0.31 0.00 -0.84 0.00 0.00 61.79 61.00 3gpw h SER 5 Cb 0.00 -0.05 -0.14 0.00 0.14 0.00 0.00 62.40 62.35 3gpw h SER 5 CO 0.00 1.23 0.38 -1.14 -1.14 0.00 0.00 176.83 176.16 3gpw n ARG 6 N -3.27 -0.05 -0.33 3.45 0.63 -1.26 0.28 116.66 116.11 3gpw n ARG 6 Ca -0.15 1.06 0.20 0.00 -0.92 0.00 0.00 57.85 58.04 3gpw n ARG 6 Cb 1.03 -1.89 0.45 0.00 0.45 0.00 0.00 32.46 32.51 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 0.47 -0.69 -0.14 2.43 -2.09 -1.77 114.38 112.60 3gpw h ARG 7 Ca 0.63 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 3gpw h ARG 7 Cb 1.66 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 3gpw h ARG 7 CO -0.60 0.31 0.00 0.66 -1.51 0.00 0.00 179.97 178.83 3gpw n TYR 8 N -4.72 0.92 -2.78 2.20 4.02 0.14 -4.93 117.16 112.00 3gpw n TYR 8 Ca 0.26 -0.46 -0.43 0.00 -0.01 0.00 0.00 57.90 57.26 3gpw n TYR 8 Cb 0.81 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.09 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 -1.03 6.69 0.50 7.72 3.68 -0.67 -4.92 116.67 128.64 3gpw s ASP 9 Ca 0.47 0.59 0.28 0.00 2.13 0.00 0.00 52.55 56.03 3gpw s ASP 9 Cb 0.25 -2.47 1.25 0.00 -1.45 0.00 0.00 42.92 40.49 3gpw s ASP 9 CO 0.32 -0.88 1.96 0.28 0.13 0.00 0.00 175.17 176.98 3gpw h SER 10 N 8.50 0.00 -5.11 -0.34 0.02 -1.91 -3.48 113.55 111.23 3gpw h SER 10 Ca -0.23 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 3gpw h SER 10 Cb 1.08 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.65 3gpw h SER 10 CO 0.99 0.13 -0.15 0.54 -1.14 0.00 0.00 176.83 177.20 3gpw n ARG 11 N -3.36 -1.33 0.00 3.45 1.74 -1.26 -4.89 116.66 111.01 3gpw n ARG 11 Ca -0.00 1.26 0.06 0.00 -0.77 0.00 0.00 57.85 58.39 3gpw n ARG 11 Cb 0.33 -5.28 0.29 0.00 -1.02 0.00 0.00 32.46 26.78 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 -1.95 0.82 -2.16 0.55 -2.24 -1.26 -3.67 114.28 104.37 3gpw n THR 12 Ca -0.01 0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.77 3gpw n THR 12 Cb 0.52 -1.00 0.02 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.34 2.34 -4.16 4.28 -2.24 -1.26 -4.52 114.28 107.38 3gpw n THR 13 Ca 0.05 -4.05 -0.24 0.00 -2.27 0.00 0.00 64.05 57.54 3gpw n THR 13 Cb 0.11 -0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 67.48 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 -4.51 2.51 0.24 2.28 -4.36 -1.24 -4.83 121.20 111.29 3gpw s ILE 14 Ca 0.47 -1.74 -0.10 0.00 -0.26 0.00 0.00 60.65 59.02 3gpw s ILE 14 Cb 0.40 -2.96 -0.07 0.00 1.25 0.00 0.00 42.46 41.08 3gpw s ILE 14 CO 0.02 -0.07 0.56 -0.36 0.24 0.00 0.00 174.94 175.33 3gpw s PHE 15 N -2.55 3.42 0.65 1.37 0.08 -1.26 -4.06 117.98 115.63 3gpw s PHE 15 Ca 0.39 0.89 -0.05 0.00 0.12 0.00 0.00 56.93 58.29 3gpw s PHE 15 Cb 0.02 -2.28 0.05 0.00 -0.57 0.00 0.00 43.02 40.24 3gpw s PHE 15 CO 0.22 0.26 0.94 -1.54 -0.10 0.00 0.00 175.22 175.00 3gpw s SER 16 N -2.35 5.06 0.65 1.36 1.04 0.41 -4.88 113.70 114.98 3gpw s SER 16 Ca 0.48 0.41 0.41 0.00 0.48 0.00 0.00 55.95 57.73 3gpw s SER 16 Cb -0.11 -1.18 2.28 0.00 0.10 0.00 0.00 66.02 67.11 3gpw s SER 16 CO 0.21 -1.40 2.34 -0.65 0.98 0.00 0.00 173.24 174.72 3gpw h PRO 17 N -0.38 0.00 -0.01 4.02 0.11 -1.99 0.12 132.00 133.87 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 -0.11 0.39 -0.21 0.00 0.00 178.00 178.66 3gpw n GLU 18 N -3.27 0.97 -2.35 1.05 4.71 -1.26 -4.93 120.64 115.57 3gpw n GLU 18 Ca -0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 57.16 56.69 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 1.24 0.86 3.47 0.62 0.00 0.41 -5.07 105.19 106.72 3gpw n GLY 19 Ca 0.16 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.70 1.67 -0.51 1.61 0.52 -1.26 -4.82 118.95 111.47 3gpw s ARG 20 Ca 0.00 -1.71 -0.16 0.00 -0.52 0.00 0.00 55.73 53.35 3gpw s ARG 20 Cb 0.00 -1.80 0.10 0.00 0.52 0.00 0.00 34.95 33.77 3gpw s ARG 20 CO 0.00 0.35 0.46 -0.51 0.02 0.00 0.00 175.30 175.61 3gpw s LEU 21 N -3.35 5.88 0.00 2.53 1.43 -1.26 -0.44 118.68 123.47 3gpw s LEU 21 Ca 0.28 -1.54 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 3gpw s LEU 21 Cb -0.06 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.96 3gpw s LEU 21 CO 0.14 -0.76 0.76 -1.22 0.23 0.00 0.00 176.35 175.50 3gpw n TYR 22 N 5.27 0.00 -0.30 0.29 4.01 -1.26 -1.43 117.16 123.74 3gpw n TYR 22 Ca -0.13 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.75 3gpw n TYR 22 Cb 0.42 -0.37 0.31 0.00 -0.31 0.00 0.00 39.34 39.39 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 0.33 -0.07 -0.72 1.08 -1.90 0.49 115.11 114.31 3gpw h GLN 23 Ca 0.00 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3gpw h GLN 23 Cb 0.00 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 3gpw h GLN 23 CO 0.00 0.22 0.04 0.28 -0.95 0.00 0.00 178.83 178.41 3gpw h VAL 24 N 0.34 1.08 -0.59 -0.54 2.07 -1.57 0.14 116.25 117.18 3gpw h VAL 24 Ca 0.56 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.90 3gpw h VAL 24 Cb 1.10 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 3gpw h VAL 24 CO -0.57 0.07 0.32 -0.33 0.02 0.00 0.00 177.57 177.08 3gpw h GLU 25 N 0.02 0.59 -0.07 1.57 4.39 -0.06 0.66 114.58 121.69 3gpw h GLU 25 Ca 0.02 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 3gpw h GLU 25 Cb 0.08 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3gpw h GLU 25 CO -0.00 0.39 -0.55 1.88 -1.16 0.00 0.00 179.01 179.57 3gpw h TYR 26 N 0.61 0.27 -0.43 4.33 0.05 -0.76 -1.90 116.97 119.14 3gpw h TYR 26 Ca 0.26 -0.09 -0.10 0.00 0.05 0.00 0.00 58.73 58.84 3gpw h TYR 26 Cb 0.14 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 3gpw h TYR 26 CO -0.08 0.72 -0.14 0.00 -1.05 0.00 0.00 178.16 177.60 3gpw h ALA 27 N 1.26 0.59 -0.97 3.88 0.00 0.01 -1.27 119.26 122.77 3gpw h ALA 27 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3gpw h ALA 27 Cb 1.02 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3gpw h ALA 27 CO 0.08 0.51 0.64 -0.07 0.00 0.00 0.00 179.25 180.41 3gpw h LEU 28 N 0.68 1.12 -1.02 0.00 3.38 -0.72 -0.31 115.31 118.44 3gpw h LEU 28 Ca 0.10 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3gpw h LEU 28 Cb 0.69 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3gpw h LEU 28 CO 0.05 0.82 0.66 -0.08 0.09 0.00 0.00 178.44 179.98 3gpw h GLU 29 N 1.32 1.30 -0.60 1.13 4.57 -0.95 -1.70 114.58 119.65 3gpw h GLU 29 Ca 0.35 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.43 3gpw h GLU 29 Cb -0.14 -0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 28.13 3gpw h GLU 29 CO -0.08 0.86 0.27 1.03 -1.18 0.00 0.00 179.01 179.92 3gpw h SER 30 N 1.34 0.80 0.09 1.04 0.87 0.04 -2.78 113.55 114.96 3gpw h SER 30 Ca 0.37 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3gpw h SER 30 Cb -0.13 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.62 3gpw h SER 30 CO -0.09 0.73 -0.12 0.40 -0.53 0.00 0.00 176.83 177.22 3gpw h ILE 31 N 0.83 1.11 0.00 2.23 1.08 -0.25 -2.66 117.51 119.84 3gpw h ILE 31 Ca 0.20 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3gpw h ILE 31 Cb 0.15 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3gpw h ILE 31 CO -0.02 0.15 0.00 -1.54 -0.69 0.00 0.00 178.15 176.04 3gpw n SER 32 N -4.37 0.00 -0.75 1.72 3.41 -0.79 -1.32 113.62 111.51 3gpw n SER 32 Ca -0.02 0.28 0.08 0.00 -0.26 0.00 0.00 58.87 58.94 3gpw n SER 32 Cb 0.21 -0.37 0.13 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.37 0.30 -3.17 7.33 8.25 -1.00 -3.29 115.22 122.26 3gpw n HIS 33 Ca 0.04 -0.23 -0.32 0.00 -0.26 0.00 0.00 57.72 56.96 3gpw n HIS 33 Cb 0.11 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.17 3.38 0.36 -1.41 0.00 -0.44 -4.86 121.76 117.62 3gpw s ALA 34 Ca 0.25 -0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.90 3gpw s ALA 34 Cb 0.15 -2.68 -0.13 0.00 0.00 0.00 0.00 23.12 20.45 3gpw s ALA 34 CO 0.21 0.33 0.72 0.41 0.00 0.00 0.00 175.76 177.43 3gpw n GLY 35 N -0.42 -1.05 3.77 0.00 0.00 -1.26 -1.32 105.19 104.91 3gpw n GLY 35 Ca 0.03 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.28 3.53 -0.03 2.61 2.01 -1.26 -4.41 115.64 116.82 3gpw s THR 36 Ca 0.62 1.33 0.03 0.00 0.31 0.00 0.00 61.69 63.98 3gpw s THR 36 Cb -0.66 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.08 3gpw s THR 36 CO 0.58 0.16 -0.11 0.00 -0.69 0.00 0.00 174.62 174.56 3gpw s ALA 37 N -1.42 1.06 0.07 7.40 0.00 -0.56 -0.24 121.76 128.06 3gpw s ALA 37 Ca 0.52 -0.44 0.09 0.00 0.00 0.00 0.00 51.96 52.13 3gpw s ALA 37 Cb -0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3gpw s ALA 37 CO 0.35 0.18 -0.24 0.42 0.00 0.00 0.00 175.76 176.47 3gpw s ILE 38 N 0.13 2.34 -0.10 0.00 -1.09 0.26 -1.48 121.20 121.26 3gpw s ILE 38 Ca -0.03 -1.44 -0.01 0.00 -2.23 0.00 0.00 60.65 56.95 3gpw s ILE 38 Cb -0.09 -1.97 0.03 0.00 -1.58 0.00 0.00 42.46 38.85 3gpw s ILE 38 CO 0.01 0.29 -0.04 -0.83 -1.23 0.00 0.00 174.94 173.14 3gpw s GLY 39 N -1.51 0.68 -0.10 6.18 0.00 0.17 -1.40 107.32 111.34 3gpw s GLY 39 Ca 0.13 -0.39 0.01 0.00 0.00 0.00 0.00 44.72 44.47 3gpw s GLY 39 CO 0.04 0.98 -0.10 -0.42 0.00 0.00 0.00 173.10 173.59 3gpw s ILE 40 N 1.82 1.15 -0.25 0.90 1.01 -0.10 -0.03 121.20 125.70 3gpw s ILE 40 Ca 0.05 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 3gpw s ILE 40 Cb -0.13 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 3gpw s ILE 40 CO -0.07 0.38 0.21 -0.32 0.00 0.00 0.00 174.94 175.14 3gpw s MET 41 N 1.26 4.03 0.51 2.79 -2.45 0.20 -0.61 119.30 125.03 3gpw s MET 41 Ca -0.03 -0.22 0.07 0.00 -1.25 0.00 0.00 55.69 54.27 3gpw s MET 41 Cb -0.14 -3.59 0.07 0.00 1.25 0.00 0.00 34.83 32.42 3gpw s MET 41 CO -0.04 -0.06 0.59 0.00 1.05 0.00 0.00 175.02 176.56 3gpw n ALA 42 N 4.66 0.98 0.09 4.11 0.00 0.58 -4.86 120.51 126.06 3gpw n ALA 42 Ca -0.13 -1.91 -0.08 0.00 0.00 0.00 0.00 53.44 51.31 3gpw n ALA 42 Cb 0.52 0.62 -0.02 0.00 0.00 0.00 0.00 19.45 20.57 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 0.22 -0.31 0.00 4.64 -1.79 -3.30 113.55 113.28 3gpw h SER 43 Ca -0.27 -0.19 -0.11 0.00 -0.47 0.00 0.00 61.79 60.76 3gpw h SER 43 Cb 1.12 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 63.08 3gpw h SER 43 CO 0.40 1.01 -0.03 -0.90 -0.87 0.00 0.00 176.83 176.43 3gpw n ASP 44 N -3.63 3.01 0.00 4.97 3.85 -1.26 -5.02 116.55 118.48 3gpw n ASP 44 Ca -0.03 -3.46 0.00 0.00 -0.71 0.00 0.00 54.79 50.59 3gpw n ASP 44 Cb 0.82 -0.60 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 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 -0.92 -2.20 3.00 6.12 0.00 -1.24 -4.30 105.19 105.65 3gpw n GLY 45 Ca 0.28 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.39 0.48 -0.10 -0.61 1.01 -0.89 -0.31 121.20 118.40 3gpw s ILE 46 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.12 3gpw s ILE 46 Cb 0.00 -0.47 -0.00 0.00 0.01 0.00 0.00 42.46 42.00 3gpw s ILE 46 CO 0.00 -0.08 -0.24 -0.69 0.00 0.00 0.00 174.94 173.94 3gpw s VAL 47 N -0.62 2.03 -0.12 2.92 1.01 0.22 -1.22 120.40 124.62 3gpw s VAL 47 Ca -0.03 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.97 3gpw s VAL 47 Cb -0.05 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3gpw s VAL 47 CO 0.00 0.55 -0.20 -0.76 0.00 0.00 0.00 175.10 174.70 3gpw s LEU 48 N 0.31 1.97 0.01 3.92 1.43 0.29 -0.92 118.68 125.69 3gpw s LEU 48 Ca -0.18 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 3gpw s LEU 48 Cb -0.18 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 3gpw s LEU 48 CO 0.08 0.07 -0.06 0.00 0.23 0.00 0.00 176.35 176.67 3gpw s ALA 49 N 0.82 0.46 0.01 4.21 0.00 -0.49 -0.80 121.76 125.97 3gpw s ALA 49 Ca -0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 3gpw s ALA 49 Cb -0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 3gpw s ALA 49 CO -0.01 0.06 0.12 0.00 0.00 0.00 0.00 175.76 175.94 3gpw s ALA 50 N -0.53 -0.27 -0.25 0.00 0.00 -0.85 0.91 121.76 120.78 3gpw s ALA 50 Ca -0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 51.96 51.62 3gpw s ALA 50 Cb -0.05 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 3gpw s ALA 50 CO -0.00 -0.23 0.14 -2.00 0.00 0.00 0.00 175.76 173.67 3gpw s GLU 51 N -1.59 3.95 -0.13 0.00 2.12 0.66 -2.10 118.70 121.61 3gpw s GLU 51 Ca -0.13 -0.33 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 3gpw s GLU 51 Cb -0.07 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 3gpw s GLU 51 CO 0.00 -0.03 1.53 1.03 -0.54 0.00 0.00 175.26 177.25 3gpw s ARG 52 N 1.27 4.10 0.12 4.30 0.52 0.92 -4.16 118.95 126.02 3gpw s ARG 52 Ca 0.07 1.89 -0.30 0.00 -0.52 0.00 0.00 55.73 56.87 3gpw s ARG 52 Cb -0.14 -3.93 -0.06 0.00 0.52 0.00 0.00 34.95 31.33 3gpw s ARG 52 CO 0.06 -0.92 1.00 0.21 0.02 0.00 0.00 175.30 175.67 3gpw s LYS 53 N 4.03 4.66 0.34 3.54 2.20 -1.26 -4.75 119.74 128.50 3gpw s LYS 53 Ca 0.67 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 3gpw s LYS 53 Cb -0.28 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3gpw s LYS 53 CO 0.25 0.15 0.00 0.28 -0.36 0.00 0.00 175.35 175.67 3gpw n VAL 54 N 2.81 -4.78 -3.73 4.02 0.31 -1.26 -5.03 118.33 110.67 3gpw n VAL 54 Ca 0.03 2.22 -0.10 0.00 -0.01 0.00 0.00 64.34 66.48 3gpw n VAL 54 Cb 0.49 -2.87 -0.05 0.00 -0.91 0.00 0.00 33.84 30.50 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 -2.01 0.05 0.19 2.52 -4.23 -1.26 -5.13 115.64 105.77 3gpw s THR 55 Ca 0.00 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.70 3gpw s THR 55 Cb 0.00 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 3gpw s THR 55 CO 0.00 -0.22 0.12 -0.55 -0.54 0.00 0.00 174.62 173.43 3gpw s SER 56 N -2.86 0.18 0.25 3.99 0.15 -1.26 -5.02 113.70 109.12 3gpw s SER 56 Ca 0.08 -1.37 0.03 0.00 0.70 0.00 0.00 55.95 55.39 3gpw s SER 56 Cb 0.01 0.37 0.29 0.00 -1.71 0.00 0.00 66.02 64.98 3gpw s SER 56 CO -0.06 -0.83 1.60 0.74 1.20 0.00 0.00 173.24 175.90 3gpw h THR 57 N 2.65 1.34 0.00 6.45 2.02 -2.03 -3.09 112.91 120.25 3gpw h THR 57 Ca -0.36 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.08 3gpw h THR 57 Cb 1.24 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 3gpw h THR 57 CO 0.54 0.52 -0.15 -0.07 0.37 0.00 0.00 175.52 176.73 3gpw h LEU 58 N 0.27 0.00 -9.70 2.58 4.07 -2.06 -3.46 115.31 107.00 3gpw h LEU 58 Ca 0.01 -0.05 -0.52 0.00 0.08 0.00 0.00 57.88 57.40 3gpw h LEU 58 Cb 0.98 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.78 3gpw h LEU 58 CO 0.08 0.02 0.97 -0.22 -1.08 0.00 0.00 178.44 178.22 3gpw s LEU 59 N -4.57 4.36 -0.41 1.67 2.96 -1.17 -4.91 118.68 116.61 3gpw s LEU 59 Ca 0.09 2.89 -0.27 0.00 -0.22 0.00 0.00 54.13 56.62 3gpw s LEU 59 Cb 0.12 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.22 3gpw s LEU 59 CO 0.63 -0.95 1.01 -0.70 -1.32 0.00 0.00 176.35 175.02 3gpw s GLU 60 N 0.68 3.78 -0.01 1.98 2.56 -1.26 -4.91 118.70 121.52 3gpw s GLU 60 Ca 0.71 0.56 0.13 0.00 0.00 0.00 0.00 54.97 56.37 3gpw s GLU 60 Cb -0.49 -3.85 -0.21 0.00 2.00 0.00 0.00 34.13 31.58 3gpw s GLU 60 CO 0.37 -1.13 0.75 0.37 -0.56 0.00 0.00 175.26 175.06 3gpw h GLN 61 N 8.77 0.00 -0.70 4.30 4.15 -1.95 -3.23 115.11 126.45 3gpw h GLN 61 Ca -0.23 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 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 1.04 0.50 0.42 -0.44 -1.93 0.00 0.00 178.83 178.42 3gpw h ASP 62 N 0.00 0.83 -0.26 -0.69 5.19 -2.02 -2.29 116.42 117.18 3gpw h ASP 62 Ca -0.24 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 3gpw h ASP 62 Cb 1.92 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 41.22 3gpw h ASP 62 CO 0.08 0.64 0.00 0.41 -3.12 0.00 0.00 179.24 177.25 3gpw n THR 63 N -4.40 0.33 -3.62 0.35 -1.04 -1.26 -4.97 114.28 99.69 3gpw n THR 63 Ca 0.07 -0.56 -0.29 0.00 -2.04 0.00 0.00 64.05 61.23 3gpw n THR 63 Cb 0.07 0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 69.34 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 -1.58 6.43 -0.30 8.00 0.15 -0.86 -5.07 113.70 120.47 3gpw s SER 63 Ca 0.35 0.53 -0.06 0.00 0.70 0.00 0.00 55.95 57.47 3gpw s SER 63 Cb 0.21 -2.06 0.18 0.00 -1.71 0.00 0.00 66.02 62.64 3gpw s SER 63 CO 0.30 -0.04 0.78 -0.89 1.20 0.00 0.00 173.24 174.59 3gpw s THR 64 N -1.84 -0.73 0.00 6.45 2.01 -1.26 -5.01 115.64 115.27 3gpw s THR 64 Ca 0.40 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.40 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 0.24 -1.84 -0.69 0.00 0.00 174.62 172.60 3gpw n GLU 65 N 5.45 -0.39 0.00 4.92 0.28 -1.26 -4.90 120.64 124.74 3gpw n GLU 65 Ca -0.04 -0.24 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 3gpw n GLU 65 Cb 0.52 -0.73 0.00 0.00 1.43 0.00 0.00 31.44 32.66 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 -0.01 2.33 -3.91 3.44 5.02 -1.26 -4.81 118.16 118.95 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 0.13 -0.56 -0.14 0.00 -0.02 0.00 0.00 35.03 34.44 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 -0.96 3.18 0.01 -0.35 1.02 -1.26 0.32 118.68 120.63 3gpw s LEU 67 Ca 0.00 -0.67 0.06 0.00 0.02 0.00 0.00 54.13 53.54 3gpw s LEU 67 Cb 0.00 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.47 3gpw s LEU 67 CO 0.00 -0.10 -0.20 -0.31 0.02 0.00 0.00 176.35 175.77 3gpw s TYR 68 N 1.41 1.74 -0.15 0.29 2.02 -0.71 -5.00 117.35 116.95 3gpw s TYR 68 Ca 0.03 -0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.18 3gpw s TYR 68 Cb -0.16 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.28 3gpw s TYR 68 CO -0.03 0.02 0.58 0.21 -1.57 0.00 0.00 175.55 174.75 3gpw s LYS 69 N -0.74 4.29 -0.25 -0.62 2.20 -1.26 -1.26 119.74 122.10 3gpw s LYS 69 Ca 0.07 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.28 3gpw s LYS 69 Cb -0.08 -3.51 -0.16 0.00 -1.51 0.00 0.00 37.83 32.57 3gpw s LYS 69 CO 0.00 -0.05 -0.23 1.28 -0.36 0.00 0.00 175.35 176.00 3gpw n LEU 70 N 4.35 2.95 -4.25 5.43 4.77 -0.27 -4.98 117.00 125.00 3gpw n LEU 70 Ca -0.04 -0.12 -0.19 0.00 -0.03 0.00 0.00 56.01 55.63 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 0.44 0.92 -0.06 0.21 -1.33 0.00 0.00 177.39 177.56 3gpw s ASN 71 N -6.46 1.57 0.00 -1.43 3.04 -0.56 -4.64 114.94 106.46 3gpw s ASN 71 Ca -0.34 -1.72 0.30 0.00 0.04 0.00 0.00 52.86 51.14 3gpw s ASN 71 Cb 0.09 0.58 1.39 0.00 -1.54 0.00 0.00 41.25 41.76 3gpw s ASN 71 CO 0.58 -1.11 1.96 0.47 -3.04 0.00 0.00 177.10 175.95 3gpw n ASP 72 N -1.55 0.26 0.00 -4.21 8.00 -1.26 -3.47 116.55 114.32 3gpw n ASP 72 Ca 0.06 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3gpw n ASP 72 Cb 0.62 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 -1.08 0.39 -3.80 -1.24 5.02 -1.26 -4.56 118.16 111.62 3gpw n LYS 73 Ca 0.15 -0.66 -0.13 0.00 -2.02 0.00 0.00 58.31 55.65 3gpw n LYS 73 Cb 0.25 -0.83 -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 -0.26 -0.02 0.10 -0.18 1.01 -1.23 -1.14 121.20 119.47 3gpw s ILE 74 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 3gpw s ILE 74 Cb 0.00 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 3gpw s ILE 74 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 174.94 174.97 3gpw s ALA 75 N 0.51 0.76 0.08 9.38 0.00 -0.12 -1.12 121.76 131.26 3gpw s ALA 75 Ca -0.04 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.60 3gpw s ALA 75 Cb -0.05 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 3gpw s ALA 75 CO -0.02 -0.40 -0.10 0.14 0.00 0.00 0.00 175.76 175.37 3gpw s VAL 76 N -3.92 0.90 -0.13 0.00 -7.23 -0.38 -0.73 120.40 108.90 3gpw s VAL 76 Ca 0.16 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 3gpw s VAL 76 Cb 0.07 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 3gpw s VAL 76 CO -0.04 -0.46 -0.08 0.00 -0.31 0.00 0.00 175.10 174.22 3gpw s ALA 77 N -2.01 2.87 -0.09 1.32 0.00 0.32 -1.74 121.76 122.43 3gpw s ALA 77 Ca 0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 3gpw s ALA 77 Cb -0.06 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 3gpw s ALA 77 CO 0.00 0.30 0.06 0.08 0.00 0.00 0.00 175.76 176.21 3gpw s VAL 78 N 0.12 4.82 -0.22 0.00 1.01 0.15 -1.42 120.40 124.87 3gpw s VAL 78 Ca -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 3gpw s VAL 78 Cb -0.14 -3.08 0.07 0.00 0.00 0.00 0.00 36.38 33.24 3gpw s VAL 78 CO 0.04 0.58 0.09 0.00 0.00 0.00 0.00 175.10 175.81 3gpw s ALA 79 N -0.97 0.65 0.00 5.51 0.00 -0.77 -4.79 121.76 121.38 3gpw s ALA 79 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3gpw s ALA 79 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.80 3gpw s ALA 79 CO 0.04 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.86 3gpw n GLY 80 N 5.20 0.54 3.63 0.00 0.00 -1.26 -1.48 105.19 111.81 3gpw n GLY 80 Ca -0.07 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 3.86 0.14 0.99 2.01 0.36 -4.92 118.68 121.12 3gpw s LEU 81 Ca 0.00 1.48 -0.23 0.00 0.01 0.00 0.00 54.13 55.39 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 -1.25 1.65 0.74 1.01 0.00 0.00 176.35 178.50 3gpw h THR 82 N 6.15 0.51 -0.96 5.49 2.02 -1.91 -0.67 112.91 123.54 3gpw h THR 82 Ca -0.32 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.98 3gpw h THR 82 Cb 1.14 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 3gpw h THR 82 CO 1.01 0.00 0.59 0.00 0.37 0.00 0.00 175.52 177.50 3gpw h ALA 83 N 0.79 1.43 -0.55 6.16 0.00 -1.99 0.12 119.26 125.22 3gpw h ALA 83 Ca 0.10 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3gpw h ALA 83 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gpw h ALA 83 CO -0.28 0.20 -0.03 -0.44 0.00 0.00 0.00 179.25 178.69 3gpw h ASP 84 N 0.95 0.98 -0.26 0.00 3.45 -1.77 -2.71 116.42 117.05 3gpw h ASP 84 Ca 0.47 -0.32 -0.00 0.00 0.43 0.00 0.00 57.03 57.61 3gpw h ASP 84 Cb 0.46 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 3gpw h ASP 84 CO -0.26 1.06 0.16 0.00 -1.57 0.00 0.00 179.24 178.63 3gpw h ALA 85 N 0.95 0.34 -0.81 3.45 0.00 0.45 -2.47 119.26 121.17 3gpw h ALA 85 Ca 0.15 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3gpw h ALA 85 Cb 0.58 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3gpw h ALA 85 CO 0.03 -0.17 0.53 0.93 0.00 0.00 0.00 179.25 180.57 3gpw h GLU 86 N 0.34 0.81 -0.18 0.00 5.08 -0.73 0.31 114.58 120.21 3gpw h GLU 86 Ca 0.09 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3gpw h GLU 86 Cb 0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3gpw h GLU 86 CO -0.02 0.54 0.10 0.82 -1.00 0.00 0.00 179.01 179.45 3gpw h ILE 87 N 0.84 1.10 -0.44 3.13 1.08 -1.13 -1.92 117.51 120.17 3gpw h ILE 87 Ca 0.35 -0.28 -0.11 0.00 -0.39 0.00 0.00 64.86 64.44 3gpw h ILE 87 Cb 0.30 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 3gpw h ILE 87 CO -0.13 0.10 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.18 3gpw h LEU 88 N 0.19 0.86 -0.28 1.44 3.38 -0.95 -2.97 115.31 116.98 3gpw h LEU 88 Ca 0.06 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3gpw h LEU 88 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3gpw h LEU 88 CO -0.01 1.03 0.16 0.40 0.09 0.00 0.00 178.44 180.11 3gpw h ILE 89 N 0.75 1.12 -0.67 1.22 2.04 -0.27 -0.31 117.51 121.40 3gpw h ILE 89 Ca 0.11 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3gpw h ILE 89 Cb 0.71 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3gpw h ILE 89 CO 0.05 0.12 0.41 -1.13 0.00 0.00 0.00 178.15 177.61 3gpw h ASN 90 N 0.34 0.68 -0.04 1.72 -1.24 -1.30 0.11 115.58 115.84 3gpw h ASN 90 Ca 0.10 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.01 3gpw h ASN 90 Cb 0.06 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 3gpw h ASN 90 CO -0.02 0.47 -0.28 0.71 -1.29 0.00 0.00 177.43 177.03 3gpw h THR 91 N 0.81 1.27 -0.71 -3.57 1.35 -1.35 -1.77 112.91 108.94 3gpw h THR 91 Ca 0.27 -1.32 -0.03 0.00 -0.55 0.00 0.00 66.41 64.79 3gpw h THR 91 Cb 0.02 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 3gpw h THR 91 CO -0.11 0.42 0.34 0.00 -0.25 0.00 0.00 175.52 175.92 3gpw h ALA 92 N 1.29 0.92 -0.62 6.62 0.00 0.03 -0.86 119.26 126.63 3gpw h ALA 92 Ca 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gpw h ALA 92 Cb 0.70 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3gpw h ALA 92 CO 0.05 0.48 0.30 0.00 0.00 0.00 0.00 179.25 180.09 3gpw h ARG 93 N 1.00 0.90 -0.52 0.00 3.08 -0.36 -2.16 114.38 116.32 3gpw h ARG 93 Ca 0.25 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3gpw h ARG 93 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3gpw h ARG 93 CO -0.03 0.72 0.23 0.82 -1.07 0.00 0.00 179.97 180.64 3gpw h ILE 94 N 0.86 1.20 -0.80 2.04 5.03 -0.90 -2.61 117.51 122.33 3gpw h ILE 94 Ca 0.21 -0.60 -0.01 0.00 -0.12 0.00 0.00 64.86 64.35 3gpw h ILE 94 Cb 0.11 0.64 -0.04 0.00 -3.03 0.00 0.00 36.82 34.50 3gpw h ILE 94 CO -0.03 0.23 0.46 -0.74 -0.68 0.00 0.00 178.15 177.40 3gpw h HIS 95 N 0.69 1.06 -0.34 1.37 2.76 -0.96 -0.38 115.15 119.36 3gpw h HIS 95 Ca 0.18 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3gpw h HIS 95 Cb 0.15 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 3gpw h HIS 95 CO -0.00 0.72 0.22 0.00 -1.30 0.00 0.00 177.93 177.57 3gpw h ALA 96 N 1.41 0.43 -0.34 5.26 0.00 -1.12 -1.78 119.26 123.12 3gpw h ALA 96 Ca 0.28 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3gpw h ALA 96 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3gpw h ALA 96 CO -0.05 -0.09 -0.19 1.96 0.00 0.00 0.00 179.25 180.88 3gpw h GLN 97 N 0.45 0.63 -0.69 0.00 1.08 -1.06 -1.40 115.11 114.12 3gpw h GLN 97 Ca 0.12 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3gpw h GLN 97 Cb -0.03 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 3gpw h GLN 97 CO -0.03 0.78 0.37 -0.91 -0.95 0.00 0.00 178.83 178.09 3gpw h ASN 98 N 0.56 0.88 -0.20 1.46 2.35 -0.70 0.28 115.58 120.20 3gpw h ASN 98 Ca 0.09 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3gpw h ASN 98 Cb 0.64 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3gpw h ASN 98 CO 0.05 0.73 0.10 0.22 -1.65 0.00 0.00 177.43 176.88 3gpw h TYR 99 N 0.95 0.29 -0.02 1.19 3.20 -1.08 -1.13 116.97 120.38 3gpw h TYR 99 Ca 0.24 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3gpw h TYR 99 Cb 0.06 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3gpw h TYR 99 CO -0.00 0.30 -0.13 1.25 -1.64 0.00 0.00 178.16 177.95 3gpw h LEU 100 N 0.20 -0.37 -1.56 2.82 5.85 -0.80 -0.41 115.31 121.05 3gpw h LEU 100 Ca 0.07 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3gpw h LEU 100 Cb 0.12 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3gpw h LEU 100 CO -0.01 -0.18 0.13 0.50 -0.34 0.00 0.00 178.44 178.55 3gpw h LYS 101 N -0.20 0.43 0.00 1.25 3.64 -0.82 1.05 116.57 121.91 3gpw h LYS 101 Ca 0.05 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3gpw h LYS 101 Cb 0.27 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3gpw h LYS 101 CO -0.14 0.35 -0.32 1.15 -2.27 0.00 0.00 179.45 178.22 3gpw h THR 102 N 0.43 1.53 -0.00 1.00 2.02 -0.61 -3.38 112.91 113.89 3gpw h THR 102 Ca 0.11 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 65.30 3gpw h THR 102 Cb 0.07 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 3gpw h THR 102 CO -0.01 0.55 -0.64 -1.22 0.37 0.00 0.00 175.52 174.57 3gpw n TYR 103 N -4.45 0.00 -3.59 3.16 4.01 -0.22 -5.00 117.16 111.07 3gpw n TYR 103 Ca -0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.43 3gpw n TYR 103 Cb 0.54 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.64 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 -1.15 -3.50 -3.69 7.72 3.02 0.36 -5.00 115.26 113.03 3gpw n ASN 104 Ca 0.03 -0.65 -0.14 0.00 -0.03 0.00 0.00 54.58 53.79 3gpw n ASN 104 Cb 0.25 -4.75 -0.08 0.00 -0.61 0.00 0.00 39.78 34.58 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 -5.91 0.69 0.44 3.52 2.02 -1.24 -5.07 118.70 113.14 3gpw s GLU 105 Ca 0.25 0.31 -0.24 0.00 0.02 0.00 0.00 54.97 55.32 3gpw s GLU 105 Cb -0.12 0.32 -0.08 0.00 0.10 0.00 0.00 34.13 34.36 3gpw s GLU 105 CO 0.76 -0.15 1.22 -0.51 0.02 0.00 0.00 175.26 176.60 3gpw s ASP 106 N -0.52 6.20 0.12 -0.19 1.01 -1.26 -3.80 116.67 118.23 3gpw s ASP 106 Ca -0.06 2.46 -0.31 0.00 0.71 0.00 0.00 52.55 55.34 3gpw s ASP 106 Cb -0.03 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 3gpw s ASP 106 CO 0.04 -0.91 1.52 -0.51 0.21 0.00 0.00 175.17 175.51 3gpw s ILE 107 N -1.41 3.01 0.32 0.77 2.07 -1.26 -4.95 121.20 119.75 3gpw s ILE 107 Ca 0.61 0.66 -0.29 0.00 -1.41 0.00 0.00 60.65 60.22 3gpw s ILE 107 Cb -0.33 -3.42 -0.12 0.00 0.13 0.00 0.00 42.46 38.72 3gpw s ILE 107 CO 0.41 0.04 1.40 -2.65 -1.91 0.00 0.00 174.94 172.23 3gpw n PRO 108 N 4.41 2.31 -0.23 3.50 -0.02 -1.26 -4.87 135.00 138.84 3gpw n PRO 108 Ca 0.13 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.46 3gpw n PRO 108 Cb 0.40 -2.47 0.15 0.00 -0.02 0.00 0.00 33.50 31.56 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 2.86 0.58 -0.67 -1.45 2.07 -1.92 -2.24 116.25 115.48 3gpw h VAL 109 Ca -0.47 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 3gpw h VAL 109 Cb 1.26 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3gpw h VAL 109 CO 0.68 0.05 0.16 -0.08 0.02 0.00 0.00 177.57 178.40 3gpw h GLU 110 N 0.28 1.08 -0.84 1.57 4.81 -1.99 -2.38 114.58 117.11 3gpw h GLU 110 Ca 0.37 -0.26 0.09 0.00 -0.13 0.00 0.00 59.36 59.43 3gpw h GLU 110 Cb 0.59 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 3gpw h GLU 110 CO -0.45 0.96 0.49 0.82 -0.73 0.00 0.00 179.01 180.10 3gpw h ILE 111 N 1.00 0.92 -0.36 2.32 2.04 -1.77 0.23 117.51 121.88 3gpw h ILE 111 Ca 0.21 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 3gpw h ILE 111 Cb 0.38 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3gpw h ILE 111 CO 0.00 0.15 -0.18 0.25 0.00 0.00 0.00 178.15 178.37 3gpw h LEU 112 N 0.82 0.79 -0.47 1.44 6.46 -1.36 -2.27 115.31 120.73 3gpw h LEU 112 Ca 0.40 -0.41 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 3gpw h LEU 112 Cb 0.35 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 3gpw h LEU 112 CO -0.24 1.03 0.14 0.58 -0.62 0.00 0.00 178.44 179.32 3gpw h VAL 113 N 0.56 1.23 -0.58 1.05 2.07 -0.84 -2.04 116.25 117.70 3gpw h VAL 113 Ca 0.08 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3gpw h VAL 113 Cb 0.73 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3gpw h VAL 113 CO 0.05 0.28 0.25 -0.09 0.02 0.00 0.00 177.57 178.09 3gpw h ARG 114 N 0.62 0.82 -0.08 1.57 2.43 -0.53 -0.54 114.38 118.67 3gpw h ARG 114 Ca 0.15 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3gpw h ARG 114 Cb 0.28 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3gpw h ARG 114 CO -0.00 0.66 0.00 -0.09 -1.51 0.00 0.00 179.97 179.03 3gpw h ARG 115 N 0.82 0.14 -0.84 0.20 9.65 -1.17 0.90 114.38 124.08 3gpw h ARG 115 Ca 0.20 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.01 3gpw h ARG 115 Cb 0.12 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 3gpw h ARG 115 CO -0.02 0.40 0.44 -0.07 2.80 0.00 0.00 179.97 183.52 3gpw h LEU 116 N -0.13 1.06 -0.88 3.80 3.38 -1.14 -1.53 115.31 119.87 3gpw h LEU 116 Ca 0.02 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3gpw h LEU 116 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3gpw h LEU 116 CO 0.00 0.87 -0.34 0.28 0.09 0.00 0.00 178.44 179.34 3gpw h SER 117 N 1.18 0.43 -0.21 -0.43 0.02 -0.96 -2.31 113.55 111.26 3gpw h SER 117 Ca 0.29 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3gpw h SER 117 Cb 0.06 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3gpw h SER 117 CO -0.04 0.74 -0.18 0.44 -1.14 0.00 0.00 176.83 176.66 3gpw h ASP 118 N 0.36 0.64 -0.44 3.07 3.45 -0.18 0.72 116.42 124.04 3gpw h ASP 118 Ca 0.04 -0.20 -0.03 0.00 0.43 0.00 0.00 57.03 57.27 3gpw h ASP 118 Cb 0.77 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 3gpw h ASP 118 CO 0.06 0.83 0.14 0.40 -1.57 0.00 0.00 179.24 179.10 3gpw h ILE 119 N 0.58 1.22 -0.23 0.35 2.04 -0.96 -1.92 117.51 118.58 3gpw h ILE 119 Ca 0.09 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3gpw h ILE 119 Cb 0.63 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3gpw h ILE 119 CO 0.04 0.26 0.11 0.11 0.00 0.00 0.00 178.15 178.68 3gpw h LYS 120 N 0.58 0.34 -0.80 2.37 1.57 -1.05 -2.42 116.57 117.15 3gpw h LYS 120 Ca 0.14 -0.05 0.18 0.00 -1.87 0.00 0.00 60.65 59.05 3gpw h LYS 120 Cb 0.26 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 3gpw h LYS 120 CO -0.01 0.35 0.54 0.37 -0.57 0.00 0.00 179.45 180.13 3gpw h GLN 121 N 0.24 0.35 -0.10 3.15 -0.00 -0.59 -1.97 115.11 116.20 3gpw h GLN 121 Ca 0.08 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.72 3gpw h GLN 121 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.51 3gpw h GLN 121 CO -0.01 0.23 -0.01 0.78 0.00 0.00 0.00 178.83 179.83 3gpw h GLY 122 N 0.36 0.09 1.77 2.39 0.00 -0.83 -0.87 103.07 105.98 3gpw h GLY 122 Ca 0.40 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3gpw h GLY 122 CO -0.13 -0.02 0.00 -1.72 0.00 0.00 0.00 176.54 174.67 3gpw n TYR 123 N -5.12 0.00 0.06 5.60 4.02 -0.74 -1.29 117.16 119.69 3gpw n TYR 123 Ca -0.05 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.93 3gpw n TYR 123 Cb 0.07 -0.39 -0.06 0.00 -0.02 0.00 0.00 39.34 38.94 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 -1.39 0.56 0.02 -0.72 -1.04 -0.34 -4.57 114.28 106.80 3gpw n THR 124 Ca 0.00 -0.57 0.01 0.00 -2.04 0.00 0.00 64.05 61.46 3gpw n THR 124 Cb 0.01 -0.31 -0.02 0.00 -1.82 0.00 0.00 70.33 68.19 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 -2.60 1.17 -3.62 -2.82 7.27 -0.41 -4.75 117.38 111.63 3gpw n GLN 125 Ca -0.04 -0.02 -0.10 0.00 0.07 0.00 0.00 57.00 56.92 3gpw n GLN 125 Cb 0.62 -0.98 -0.02 0.00 2.41 0.00 0.00 30.24 32.27 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 -2.00 -0.37 0.00 3.69 -3.43 -0.97 -4.98 115.29 107.22 3gpw s HIS 126 Ca -0.01 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 3gpw s HIS 126 Cb 0.02 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 3gpw s HIS 126 CO 0.10 -1.02 0.00 0.41 -2.00 0.00 0.00 174.74 172.24 3gpw n GLY 127 N -0.41 3.17 2.41 -1.38 0.00 -1.26 -4.46 105.19 103.26 3gpw n GLY 127 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.39 0.78 3.66 -0.02 0.00 -1.26 -5.01 105.19 101.96 3gpw n GLY 128 Ca 0.00 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.23 3.28 0.56 0.99 1.43 -1.26 -4.68 118.68 114.78 3gpw s LEU 129 Ca 0.00 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 3gpw s LEU 129 Cb 0.00 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 3gpw s LEU 129 CO 0.00 0.06 1.16 0.00 0.23 0.00 0.00 176.35 177.81 3gpw s ARG 130 N -3.15 3.20 1.01 1.70 1.70 -1.26 -4.83 118.95 117.33 3gpw s ARG 130 Ca 0.28 1.71 -0.16 0.00 -0.47 0.00 0.00 55.73 57.09 3gpw s ARG 130 Cb -0.08 -1.98 0.20 0.00 -0.57 0.00 0.00 34.95 32.52 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 -3.29 0.27 -0.05 3.89 0.02 -1.26 -5.00 135.00 129.58 3gpw s PRO 131 Ca 0.75 -0.10 -0.25 0.00 0.02 0.00 0.00 61.00 61.42 3gpw s PRO 131 Cb -0.27 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 3gpw s PRO 131 CO 0.30 -2.71 0.76 -0.06 -0.33 0.00 0.00 177.00 174.95 3gpw s PHE 132 N -3.45 3.60 -1.48 6.54 0.40 -1.26 -4.93 117.98 117.40 3gpw s PHE 132 Ca 0.70 1.35 -0.10 0.00 -0.60 0.00 0.00 56.93 58.27 3gpw s PHE 132 Cb -0.09 -2.87 0.02 0.00 0.51 0.00 0.00 43.02 40.59 3gpw s PHE 132 CO 0.54 0.07 2.49 0.41 0.70 0.00 0.00 175.22 179.43 3gpw n GLY 133 N 3.05 4.53 3.03 4.36 0.00 -1.26 -4.50 105.19 114.40 3gpw n GLY 133 Ca 0.00 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 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 1.71 0.08 -0.03 1.61 1.01 -1.26 -0.48 120.40 123.04 3gpw s VAL 134 Ca 0.56 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3gpw s VAL 134 Cb 0.16 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.23 3gpw s VAL 134 CO -0.07 -0.36 -0.07 -0.44 0.00 0.00 0.00 175.10 174.16 3gpw s SER 135 N -1.18 1.08 0.09 3.32 0.01 -0.55 -2.91 113.70 113.56 3gpw s SER 135 Ca -0.13 -0.16 0.08 0.00 1.31 0.00 0.00 55.95 57.05 3gpw s SER 135 Cb -0.07 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 3gpw s SER 135 CO 0.00 0.03 -0.16 -0.36 0.41 0.00 0.00 173.24 173.16 3gpw s PHE 136 N 0.37 2.59 -0.19 2.43 0.40 0.78 -1.85 117.98 122.49 3gpw s PHE 136 Ca -0.05 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.04 3gpw s PHE 136 Cb -0.10 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 42.04 3gpw s PHE 136 CO 0.00 0.36 -0.15 0.42 0.70 0.00 0.00 175.22 176.55 3gpw s ILE 137 N -1.09 2.44 -0.22 0.64 1.01 -0.50 -1.53 121.20 121.95 3gpw s ILE 137 Ca 0.18 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 3gpw s ILE 137 Cb -0.11 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3gpw s ILE 137 CO 0.09 0.48 0.10 -0.31 0.00 0.00 0.00 174.94 175.31 3gpw s TYR 138 N 1.34 3.25 -0.24 3.97 1.51 0.83 -0.52 117.35 127.49 3gpw s TYR 138 Ca 0.05 0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.17 3gpw s TYR 138 Cb -0.14 -2.18 0.04 0.00 -0.11 0.00 0.00 41.96 39.57 3gpw s TYR 138 CO -0.10 0.03 -0.11 0.00 -1.11 0.00 0.00 175.55 174.26 3gpw s ALA 139 N 0.86 2.56 0.32 3.71 0.00 0.09 -0.80 121.76 128.49 3gpw s ALA 139 Ca 0.05 -1.53 -0.09 0.00 0.00 0.00 0.00 51.96 50.40 3gpw s ALA 139 Cb -0.13 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.47 3gpw s ALA 139 CO 0.03 -0.86 0.55 0.20 0.00 0.00 0.00 175.76 175.68 3gpw s GLY 140 N 1.23 0.90 -0.01 0.00 0.00 -0.89 -0.94 107.32 107.61 3gpw s GLY 140 Ca -0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 3gpw s GLY 140 CO -0.07 -0.71 0.04 -0.47 0.00 0.00 0.00 173.10 171.89 3gpw s TYR 141 N -3.24 -0.03 0.19 1.90 6.14 -0.30 -1.17 117.35 120.83 3gpw s TYR 141 Ca 0.24 0.08 -0.08 0.00 0.64 0.00 0.00 57.07 57.96 3gpw s TYR 141 Cb -0.02 0.01 -0.02 0.00 0.42 0.00 0.00 41.96 42.36 3gpw s TYR 141 CO 0.14 -0.03 0.28 0.16 0.64 0.00 0.00 175.55 176.75 3gpw s ASP 142 N -0.04 0.05 -0.01 4.32 1.47 -1.12 -4.81 116.67 116.54 3gpw s ASP 142 Ca -0.01 -1.01 0.05 0.00 1.18 0.00 0.00 52.55 52.76 3gpw s ASP 142 Cb -0.01 0.45 0.16 0.00 -0.34 0.00 0.00 42.92 43.18 3gpw s ASP 142 CO 0.00 -0.93 1.05 -0.90 0.68 0.00 0.00 175.17 175.08 3gpw n ASP 143 N -0.25 1.18 -0.05 2.11 5.75 -1.26 -0.59 116.55 123.43 3gpw n ASP 143 Ca -0.04 -2.05 -0.06 0.00 -0.01 0.00 0.00 54.79 52.64 3gpw n ASP 143 Cb 0.63 -0.21 -0.08 0.00 -1.03 0.00 0.00 41.12 40.44 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 0.03 2.00 0.00 0.11 0.63 -1.26 -4.74 116.66 113.43 3gpw n ARG 144 Ca 0.06 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 3gpw n ARG 144 Cb 0.22 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 31.86 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 -2.46 0.00 -4.48 -0.14 4.01 -1.24 -5.12 117.16 107.72 3gpw n TYR 14 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3gpw n TYR 14 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 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 0.02 2.85 3.73 2.72 0.00 0.24 -4.65 105.19 110.09 3gpw n GLY 145 Ca 0.00 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 3.08 0.01 1.61 2.02 -1.26 -2.78 117.35 120.03 3gpw s TYR 146 Ca 0.00 0.84 -0.01 0.00 -0.37 0.00 0.00 57.07 57.53 3gpw s TYR 146 Cb 0.00 -3.84 -0.01 0.00 -0.40 0.00 0.00 41.96 37.71 3gpw s TYR 146 CO 0.00 -2.93 -0.00 -0.65 -1.57 0.00 0.00 175.55 170.40 3gpw s GLN 147 N 0.54 0.30 -0.07 -0.62 -0.21 -0.32 -5.01 119.66 114.27 3gpw s GLN 147 Ca 0.65 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 55.52 3gpw s GLN 147 Cb -0.42 0.11 0.02 0.00 1.00 0.00 0.00 33.01 33.73 3gpw s GLN 147 CO 0.36 -0.05 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.25 3gpw s LEU 148 N -1.30 1.14 0.34 2.90 2.96 -1.26 -2.10 118.68 121.37 3gpw s LEU 148 Ca -0.14 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3gpw s LEU 148 Cb -0.09 -0.60 -0.06 0.00 0.50 0.00 0.00 46.19 45.94 3gpw s LEU 148 CO -0.01 -0.10 0.07 -0.31 -1.32 0.00 0.00 176.35 174.69 3gpw s TYR 149 N 1.37 1.93 -0.14 5.38 2.02 0.02 -0.89 117.35 127.04 3gpw s TYR 149 Ca -0.03 -1.01 -0.11 0.00 -0.37 0.00 0.00 57.07 55.55 3gpw s TYR 149 Cb -0.14 -1.27 0.04 0.00 -0.40 0.00 0.00 41.96 40.20 3gpw s TYR 149 CO -0.03 -0.04 0.35 -0.08 -1.57 0.00 0.00 175.55 174.18 3gpw s THR 150 N -3.28 -0.01 0.00 -0.71 -1.32 -0.70 -0.12 115.64 109.50 3gpw s THR 150 Ca 0.34 0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.87 3gpw s THR 150 Cb 0.08 -0.50 -0.01 0.00 -1.51 0.00 0.00 72.50 70.56 3gpw s THR 150 CO 0.15 0.01 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.59 3gpw s SER 151 N 0.55 0.56 0.38 8.08 1.04 -0.58 -1.94 113.70 121.79 3gpw s SER 151 Ca -0.03 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.28 3gpw s SER 151 Cb -0.05 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 3gpw s SER 151 CO -0.03 0.01 0.07 0.54 0.98 0.00 0.00 173.24 174.80 3gpw s ASN 152 N -0.34 2.88 0.50 7.02 2.20 -1.16 -0.16 114.94 125.88 3gpw s ASN 152 Ca -0.00 -1.50 0.40 0.00 -0.94 0.00 0.00 52.86 50.81 3gpw s ASN 152 Cb -0.03 0.14 1.59 0.00 -2.00 0.00 0.00 41.25 40.94 3gpw s ASN 152 CO -0.00 -0.72 1.60 -0.65 -2.94 0.00 0.00 177.10 174.39 3gpw h PRO 153 N 1.88 0.02 -0.02 3.55 0.11 -1.76 0.87 132.00 136.66 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 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3gpw h PRO 153 CO 0.68 0.01 -0.40 0.66 -0.21 0.00 0.00 178.00 178.74 3gpw h SER 154 N 0.02 0.05 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.89 3gpw h SER 154 Ca 0.88 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 62.18 3gpw h SER 154 Cb 3.14 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 65.22 3gpw h SER 154 CO -0.24 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 3gpw n GLY 155 N -0.36 1.13 3.88 -0.77 0.00 0.30 -4.07 105.19 105.31 3gpw n GLY 155 Ca -0.02 0.00 -0.33 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 6.58 0.01 1.61 3.04 -1.26 -4.60 114.94 118.33 3gpw s ASN 156 Ca 0.00 0.75 -0.04 0.00 0.04 0.00 0.00 52.86 53.61 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 0.06 0.06 -0.72 -3.04 0.00 0.00 177.10 173.46 3gpw s TYR 157 N -1.62 0.15 0.11 0.43 -0.85 -1.26 -2.97 117.35 111.35 3gpw s TYR 157 Ca 0.40 -0.35 -0.10 0.00 -0.52 0.00 0.00 57.07 56.51 3gpw s TYR 157 Cb -0.12 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.10 3gpw s TYR 157 CO 0.22 -0.25 0.24 0.95 -1.52 0.00 0.00 175.55 175.18 3gpw s THR 158 N -1.53 0.12 0.03 -3.49 -4.23 -0.82 -4.96 115.64 100.76 3gpw s THR 158 Ca -0.14 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.20 3gpw s THR 158 Cb -0.08 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 3gpw s THR 158 CO -0.00 -0.55 0.27 -0.83 -0.54 0.00 0.00 174.62 172.97 3gpw s GLY 159 N -2.87 2.23 0.06 3.99 0.00 -1.26 -1.72 107.32 107.76 3gpw s GLY 159 Ca 0.06 -0.62 -0.05 0.00 0.00 0.00 0.00 44.72 44.12 3gpw s GLY 159 CO -0.10 -0.48 0.07 -0.98 0.00 0.00 0.00 173.10 171.62 3gpw s TRP 160 N -1.37 0.33 -0.10 1.90 0.52 -0.06 -4.99 118.94 115.16 3gpw s TRP 160 Ca 0.30 -0.79 0.11 0.00 0.02 0.00 0.00 56.10 55.74 3gpw s TRP 160 Cb -0.13 -0.22 -0.24 0.00 -1.15 0.00 0.00 33.47 31.73 3gpw s TRP 160 CO 0.19 -0.44 0.45 1.63 0.02 0.00 0.00 176.95 178.79 3gpw n LYS 161 N 0.16 0.66 -3.65 4.98 5.02 -1.26 -4.12 118.16 119.95 3gpw n LYS 161 Ca -0.15 0.22 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 3gpw n LYS 161 Cb 0.61 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.56 -1.61 0.17 7.82 0.00 -1.26 0.59 121.76 124.91 3gpw s ALA 162 Ca -0.10 1.78 -0.24 0.00 0.00 0.00 0.00 51.96 53.41 3gpw s ALA 162 Cb 0.07 -0.99 0.06 0.00 0.00 0.00 0.00 23.12 22.26 3gpw s ALA 162 CO 0.81 -0.31 0.89 -1.50 0.00 0.00 0.00 175.76 175.65 3gpw s ILE 163 N 0.23 0.00 0.07 0.00 2.07 0.95 -4.99 121.20 119.53 3gpw s ILE 163 Ca -0.01 -0.69 -0.07 0.00 -1.41 0.00 0.00 60.65 58.48 3gpw s ILE 163 Cb -0.04 -1.91 -0.01 0.00 0.13 0.00 0.00 42.46 40.63 3gpw s ILE 163 CO 0.01 0.00 0.13 -0.94 -1.91 0.00 0.00 174.94 172.23 3gpw s SER 164 N -2.91 0.20 0.03 4.50 1.04 -1.26 0.43 113.70 115.74 3gpw s SER 164 Ca 0.11 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.82 3gpw s SER 164 Cb -0.02 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 3gpw s SER 164 CO 0.02 -0.64 0.07 0.68 0.98 0.00 0.00 173.24 174.35 3gpw s VAL 165 N -3.51 0.13 0.00 5.02 -7.23 -0.55 -4.97 120.40 109.29 3gpw s VAL 165 Ca 0.02 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3gpw s VAL 165 Cb 0.04 -0.75 0.00 0.00 0.56 0.00 0.00 36.38 36.23 3gpw s VAL 165 CO -0.09 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.73 3gpw n GLY 166 N 0.98 0.33 3.77 2.32 0.00 -1.26 -1.50 105.19 109.83 3gpw n GLY 166 Ca -0.20 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 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 2.67 -1.53 4.61 0.00 -0.43 -3.98 121.76 121.10 3gpw s ALA 167 Ca 0.00 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 3gpw s ALA 167 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.80 3gpw s ALA 167 CO 0.00 -0.82 0.23 0.09 0.00 0.00 0.00 175.76 175.25 3gpw n ASN 168 N -1.46 0.12 0.09 0.00 3.02 -1.26 -4.64 115.26 111.13 3gpw n ASN 168 Ca 0.11 -1.17 -0.06 0.00 -0.03 0.00 0.00 54.58 53.44 3gpw n ASN 168 Cb 0.51 -2.18 0.08 0.00 -0.61 0.00 0.00 39.78 37.58 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 -1.74 1.44 -0.23 3.41 1.35 -1.93 -1.52 112.91 113.69 3gpw h THR 169 Ca -0.64 -2.24 -0.00 0.00 -0.55 0.00 0.00 66.41 62.98 3gpw h THR 169 Cb 1.39 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 69.99 3gpw h THR 169 CO 0.69 0.65 0.14 -1.28 -0.25 0.00 0.00 175.52 175.48 3gpw h SER 170 N 0.13 0.28 -0.32 5.36 0.87 -1.92 0.90 113.55 118.84 3gpw h SER 170 Ca -0.02 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 3gpw h SER 170 Cb 1.25 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 3gpw h SER 170 CO 0.11 0.24 0.04 0.00 -0.53 0.00 0.00 176.83 176.69 3gpw h ALA 171 N 1.05 0.42 -0.56 6.23 0.00 -1.93 -2.13 119.26 122.33 3gpw h ALA 171 Ca 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3gpw h ALA 171 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3gpw h ALA 171 CO -0.02 0.13 0.25 0.00 0.00 0.00 0.00 179.25 179.61 3gpw h ALA 172 N 0.88 0.73 -0.66 0.00 0.00 -0.88 -2.23 119.26 117.10 3gpw h ALA 172 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3gpw h ALA 172 Cb 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3gpw h ALA 172 CO 0.01 0.32 0.17 0.37 0.00 0.00 0.00 179.25 180.12 3gpw h GLN 173 N 0.77 1.05 -0.66 0.00 5.75 0.90 -1.46 115.11 121.45 3gpw h GLN 173 Ca 0.19 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 3gpw h GLN 173 Cb 0.16 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 3gpw h GLN 173 CO -0.02 0.94 0.14 1.15 -2.65 0.00 0.00 178.83 178.39 3gpw h THR 174 N 0.98 1.26 -0.50 2.39 2.02 -1.24 -0.16 112.91 117.66 3gpw h THR 174 Ca 0.21 -0.98 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 3gpw h THR 174 Cb 0.35 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3gpw h THR 174 CO 0.00 0.37 -0.09 -0.07 0.37 0.00 0.00 175.52 176.10 3gpw h LEU 175 N 1.00 0.90 -0.21 2.58 3.38 -1.17 -2.39 115.31 119.40 3gpw h LEU 175 Ca 0.21 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3gpw h LEU 175 Cb 0.39 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gpw h LEU 175 CO 0.01 1.01 -0.20 -0.07 0.09 0.00 0.00 178.44 179.28 3gpw h LEU 176 N 0.82 0.54 -0.80 1.67 3.38 -1.05 -2.57 115.31 117.30 3gpw h LEU 176 Ca 0.14 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3gpw h LEU 176 Cb 0.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3gpw h LEU 176 CO 0.04 0.90 0.00 1.67 0.09 0.00 0.00 178.44 181.14 3gpw n GLN 177 N -4.43 0.14 -0.02 1.13 7.27 -0.09 -1.05 117.38 120.32 3gpw n GLN 177 Ca -0.05 0.48 -0.21 0.00 0.07 0.00 0.00 57.00 57.29 3gpw n GLN 177 Cb 0.40 -1.82 -0.13 0.00 2.41 0.00 0.00 30.24 31.09 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 0.19 -0.25 3.69 4.05 -1.04 -3.40 114.93 118.16 3gpw h MET 178 Ca 0.00 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 3gpw h MET 178 Cb 0.19 0.12 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 -4.00 2.68 -4.78 1.39 8.00 -1.02 -5.00 116.55 113.81 3gpw n ASP 179 Ca -0.26 -1.82 -0.37 0.00 0.71 0.00 0.00 54.79 53.05 3gpw n ASP 179 Cb 0.86 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.73 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 -1.03 3.69 -0.07 1.24 5.04 -0.22 -5.06 117.35 120.94 3gpw s TYR 180 Ca 0.22 1.78 -0.03 0.00 -2.44 0.00 0.00 57.07 56.61 3gpw s TYR 180 Cb 0.13 -2.93 0.04 0.00 0.35 0.00 0.00 41.96 39.55 3gpw s TYR 180 CO 0.17 0.20 0.15 -1.59 -1.34 0.00 0.00 175.55 173.14 3gpw s LYS 181 N -2.04 0.06 0.31 4.97 -2.85 -1.26 -5.00 119.74 113.93 3gpw s LYS 181 Ca 0.50 0.47 0.18 0.00 -1.00 0.00 0.00 55.97 56.11 3gpw s LYS 181 Cb -0.19 -0.23 1.12 0.00 -2.06 0.00 0.00 37.83 36.47 3gpw s LYS 181 CO 0.24 -0.24 1.31 -0.25 0.10 0.00 0.00 175.35 176.51 3gpw n ASP 182 N 4.79 0.29 -1.07 0.03 10.43 -1.26 0.28 116.55 130.04 3gpw n ASP 182 Ca -0.15 1.37 0.04 0.00 2.57 0.00 0.00 54.79 58.62 3gpw n ASP 182 Cb 0.51 -0.67 0.19 0.00 1.84 0.00 0.00 41.12 42.98 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 -4.87 3.00 -4.36 -2.24 5.68 -1.26 -4.62 116.55 107.89 3gpw n ASP 183 Ca 0.32 -2.36 -0.31 0.00 -0.50 0.00 0.00 54.79 51.94 3gpw n ASP 183 Cb 1.08 -0.52 0.21 0.00 -1.14 0.00 0.00 41.12 40.74 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 0.34 -1.95 -4.23 0.11 2.81 0.14 -4.84 117.12 109.50 3gpw n MET 184 Ca 0.13 -0.55 -0.21 0.00 -1.81 0.00 0.00 57.70 55.27 3gpw n MET 184 Cb 0.63 -1.89 -0.12 0.00 -0.71 0.00 0.00 33.22 31.13 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 -3.83 0.98 0.27 0.03 2.36 -1.26 -2.92 119.74 115.37 3gpw s LYS 185 Ca 0.61 -1.08 -0.09 0.00 -2.55 0.00 0.00 55.97 52.86 3gpw s LYS 185 Cb -0.18 -1.09 0.42 0.00 -1.05 0.00 0.00 37.83 35.94 3gpw s LYS 185 CO 0.66 0.24 1.57 0.28 1.55 0.00 0.00 175.35 179.65 3gpw h VAL 186 N 4.10 0.04 -0.79 4.02 2.07 -1.89 0.55 116.25 124.36 3gpw h VAL 186 Ca -0.43 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3gpw h VAL 186 Cb 1.19 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3gpw h VAL 186 CO 0.41 0.00 0.52 0.44 0.02 0.00 0.00 177.57 178.96 3gpw h ASP 187 N -0.00 0.85 0.02 0.57 5.19 -1.97 0.17 116.42 121.24 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 0.69 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.00 3gpw h ASP 187 CO -0.98 0.59 -0.01 0.44 -3.12 0.00 0.00 179.24 176.16 3gpw h ASP 188 N 0.99 -0.02 -0.97 6.45 3.45 -0.37 -2.76 116.42 123.18 3gpw h ASP 188 Ca 0.31 -0.27 0.03 0.00 0.43 0.00 0.00 57.03 57.53 3gpw h ASP 188 Cb 0.01 0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 38.73 3gpw h ASP 188 CO -0.08 0.26 0.63 0.00 -1.57 0.00 0.00 179.24 178.48 3gpw h ALA 189 N 0.67 1.28 -0.70 3.45 0.00 -0.48 -0.02 119.26 123.46 3gpw h ALA 189 Ca -0.00 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3gpw h ALA 189 Cb 0.29 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3gpw h ALA 189 CO 0.00 0.53 0.41 0.82 0.00 0.00 0.00 179.25 181.02 3gpw h ILE 190 N 1.24 1.00 -0.30 0.00 2.04 -0.60 -0.07 117.51 120.83 3gpw h ILE 190 Ca 0.38 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 3gpw h ILE 190 Cb -0.02 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3gpw h ILE 190 CO -0.12 0.14 -0.06 -0.08 0.00 0.00 0.00 178.15 178.03 3gpw h GLU 191 N 0.76 0.57 -0.28 2.37 4.81 -1.01 -2.69 114.58 119.10 3gpw h GLU 191 Ca 0.31 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3gpw h GLU 191 Cb 0.15 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3gpw h GLU 191 CO -0.16 0.76 0.11 1.25 -0.73 0.00 0.00 179.01 180.23 3gpw h LEU 192 N 0.34 0.13 -0.16 1.64 6.46 -0.52 -1.51 115.31 121.70 3gpw h LEU 192 Ca 0.08 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 3gpw h LEU 192 Cb 0.54 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 3gpw h LEU 192 CO 0.03 0.11 -0.21 0.00 -0.62 0.00 0.00 178.44 177.75 3gpw h ALA 193 N 1.17 -0.13 -0.65 1.25 0.00 -0.97 0.12 119.26 120.05 3gpw h ALA 193 Ca 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3gpw h ALA 193 Cb 0.08 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3gpw h ALA 193 CO -0.12 -0.65 0.34 -0.07 0.00 0.00 0.00 179.25 178.75 3gpw h LEU 194 N -0.25 0.80 -0.47 0.00 3.38 -1.22 -1.91 115.31 115.64 3gpw h LEU 194 Ca 0.11 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3gpw h LEU 194 Cb 0.41 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3gpw h LEU 194 CO -0.30 0.66 -0.03 0.11 0.09 0.00 0.00 178.44 178.97 3gpw h LYS 195 N 0.90 0.86 0.09 1.13 1.79 -0.59 -0.47 116.57 120.27 3gpw h LYS 195 Ca 0.23 -0.29 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3gpw h LYS 195 Cb 0.05 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 3gpw h LYS 195 CO -0.03 0.92 -0.04 1.15 -1.08 0.00 0.00 179.45 180.36 3gpw h THR 196 N 0.71 0.98 -0.71 -0.16 2.02 -0.60 -2.01 112.91 113.14 3gpw h THR 196 Ca 0.13 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.10 3gpw h THR 196 Cb 0.55 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3gpw h THR 196 CO 0.03 0.05 0.47 -0.07 0.37 0.00 0.00 175.52 176.37 3gpw h LEU 197 N -0.22 0.81 -1.61 2.58 3.38 -1.34 -2.06 115.31 116.84 3gpw h LEU 197 Ca -0.01 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.10 3gpw h LEU 197 Cb 0.18 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3gpw h LEU 197 CO 0.02 0.58 0.51 -1.28 0.09 0.00 0.00 178.44 178.37 3gpw h SER 198 N 0.95 0.35 0.22 -0.43 0.87 -0.77 0.27 113.55 115.02 3gpw h SER 198 Ca 0.26 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3gpw h SER 198 Cb -0.11 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 3gpw h SER 198 CO -0.06 0.18 -0.71 0.29 -0.53 0.00 0.00 176.83 176.00 3gpw n LYS 199 N -4.47 0.15 0.00 2.24 5.02 -0.78 -4.24 118.16 116.08 3gpw n LYS 199 Ca 0.15 -0.11 0.06 0.00 -2.02 0.00 0.00 58.31 56.39 3gpw n LYS 199 Cb 0.57 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.33 0.00 -1.68 -0.18 -2.24 -0.52 -5.02 114.28 103.31 3gpw n THR 200 Ca 0.06 -0.30 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 3gpw n THR 200 Cb 0.34 1.06 0.03 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.79 3.24 0.65 4.28 -1.04 -0.03 -4.87 114.28 115.72 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 0.21 -1.44 0.20 0.00 -1.82 0.00 0.00 70.33 67.49 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 -0.38 3.11 -5.00 8.00 8.00 -1.26 -4.93 116.55 124.09 3gpw n ASP 203 Ca 0.10 -1.96 -0.18 0.00 0.71 0.00 0.00 54.79 53.46 3gpw n ASP 203 Cb 0.43 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.68 5.73 0.00 -2.24 0.01 -1.26 -5.07 113.70 109.19 3gpw s SER 204 Ca 0.35 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.35 3gpw s SER 204 Cb 0.21 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.53 3gpw s SER 204 CO 0.31 -0.69 0.61 -1.20 0.41 0.00 0.00 173.24 172.68 3gpw n SER 20 N -1.85 0.00 -4.77 2.44 7.64 -1.26 -4.87 113.62 110.96 3gpw n SER 20 Ca 0.05 0.61 -0.26 0.00 1.01 0.00 0.00 58.87 60.28 3gpw n SER 20 Cb 0.59 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.44 3.78 -0.48 -0.43 0.00 -1.26 -5.09 121.76 115.85 3gpw s ALA 20 Ca 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 51.96 50.13 3gpw s ALA 20 Cb 0.00 -0.39 0.12 0.00 0.00 0.00 0.00 23.12 22.85 3gpw s ALA 20 CO 0.00 -0.20 0.30 -1.17 0.00 0.00 0.00 175.76 174.69 3gpw s LEU 205 N -3.96 5.40 0.41 0.00 2.96 -1.26 -5.07 118.68 117.16 3gpw s LEU 205 Ca 0.36 -2.18 0.08 0.00 -0.22 0.00 0.00 54.13 52.17 3gpw s LEU 205 Cb 0.03 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.84 3gpw s LEU 205 CO 0.20 -0.55 0.56 0.42 -1.32 0.00 0.00 176.35 175.67 3gpw s THR 206 N 0.94 3.14 0.18 3.68 -4.23 -1.26 -4.99 115.64 113.10 3gpw s THR 206 Ca 0.10 -0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.54 3gpw s THR 206 Cb -0.23 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.59 3gpw s THR 206 CO -0.03 -0.02 1.61 0.10 -0.54 0.00 0.00 174.62 175.73 3gpw h TYR 207 N 0.65 1.09 0.00 3.99 -0.00 -1.91 -2.89 116.97 117.89 3gpw h TYR 207 Ca -0.41 -0.23 0.00 0.00 -0.00 0.00 0.00 58.73 58.09 3gpw h TYR 207 Cb 1.28 -0.27 0.00 0.00 -0.00 0.00 0.00 36.73 37.74 3gpw h TYR 207 CO 0.40 1.03 0.00 -0.40 -0.00 0.00 0.00 178.16 179.19 3gpw n ASP 208 N -4.14 0.00 -0.39 0.10 5.75 -1.26 -1.18 116.55 115.44 3gpw n ASP 208 Ca 0.01 0.28 0.06 0.00 -0.01 0.00 0.00 54.79 55.14 3gpw n ASP 208 Cb 0.41 -0.30 0.14 0.00 -1.03 0.00 0.00 41.12 40.34 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 -1.30 2.46 -4.23 0.11 1.74 -1.09 -4.95 116.66 109.41 3gpw n ARG 209 Ca 0.01 -2.27 -0.15 0.00 -0.77 0.00 0.00 57.85 54.66 3gpw n ARG 209 Cb 0.01 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 29.92 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 -2.01 2.47 -0.01 0.55 1.43 -0.32 -0.06 118.68 120.73 3gpw s LEU 210 Ca 0.25 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 3gpw s LEU 210 Cb 0.19 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 46.03 3gpw s LEU 210 CO 0.06 -0.27 -0.09 -1.61 0.23 0.00 0.00 176.35 174.68 3gpw s GLU 211 N -3.22 0.70 -0.00 1.70 2.02 -0.89 -4.91 118.70 114.10 3gpw s GLU 211 Ca 0.12 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 3gpw s GLU 211 Cb -0.01 -0.67 -0.00 0.00 0.10 0.00 0.00 34.13 33.55 3gpw s GLU 211 CO 0.01 0.18 0.01 0.12 0.02 0.00 0.00 175.26 175.61 3gpw s PHE 212 N -0.23 0.03 -0.06 1.61 5.36 -1.26 -2.02 117.98 121.42 3gpw s PHE 212 Ca 0.03 -0.06 -0.15 0.00 -0.96 0.00 0.00 56.93 55.80 3gpw s PHE 212 Cb -0.03 -0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.65 3gpw s PHE 212 CO -0.00 -0.05 0.35 0.00 -1.46 0.00 0.00 175.22 174.05 3gpw s ALA 213 N -0.29 -0.88 0.02 11.12 0.00 0.02 0.26 121.76 132.01 3gpw s ALA 213 Ca -0.03 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.56 3gpw s ALA 213 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3gpw s ALA 213 CO -0.00 -0.24 -0.06 0.95 0.00 0.00 0.00 175.76 176.41 3gpw s THR 214 N -0.82 0.46 -0.37 0.00 -4.23 -0.56 -0.55 115.64 109.58 3gpw s THR 214 Ca -0.09 -0.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 3gpw s THR 214 Cb -0.04 -0.45 0.10 0.00 1.34 0.00 0.00 72.50 73.45 3gpw s THR 214 CO 0.03 -0.10 0.10 -0.63 -0.54 0.00 0.00 174.62 173.48 3gpw s ILE 215 N -0.67 2.54 0.35 2.99 1.01 -0.36 -0.35 121.20 126.71 3gpw s ILE 215 Ca -0.03 -2.33 0.09 0.00 0.00 0.00 0.00 60.65 58.37 3gpw s ILE 215 Cb -0.05 -2.83 -0.06 0.00 0.01 0.00 0.00 42.46 39.53 3gpw s ILE 215 CO 0.00 -0.63 0.02 -0.13 0.00 0.00 0.00 174.94 174.19 3gpw s ARG 216 N 0.89 2.06 -0.79 2.79 0.52 -0.34 -2.09 118.95 121.99 3gpw s ARG 216 Ca 0.11 -1.80 0.02 0.00 -0.52 0.00 0.00 55.73 53.54 3gpw s ARG 216 Cb -0.20 -1.90 0.32 0.00 0.52 0.00 0.00 34.95 33.69 3gpw s ARG 216 CO -0.07 0.10 1.27 1.17 0.02 0.00 0.00 175.30 177.80 3gpw n LYS 21 N -0.97 4.02 -0.20 3.54 4.81 -1.26 0.41 118.16 128.52 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 0.12 -0.06 0.33 3.14 0.00 -1.24 -4.65 105.19 102.83 3gpw n GLY 21 Ca 0.36 0.16 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 1.55 1.60 -0.38 4.61 0.00 -1.96 -2.41 119.26 122.26 3gpw h ALA 217 Ca -0.01 0.30 -0.73 0.00 0.00 0.00 0.00 54.91 54.47 3gpw h ALA 217 Cb 0.18 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 3gpw h ALA 217 CO 0.18 -0.72 2.67 -1.71 0.00 0.00 0.00 179.25 179.67 3gpw n ASN 218 N -5.37 4.38 0.00 0.00 4.05 -1.26 -4.10 115.26 112.96 3gpw n ASN 218 Ca 0.29 -2.95 0.00 0.00 0.45 0.00 0.00 54.58 52.37 3gpw n ASN 218 Cb 0.97 -1.59 0.00 0.00 1.23 0.00 0.00 39.78 40.40 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 5.19 0.00 0.00 1.20 2.03 -0.92 -5.01 116.55 119.04 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 0.79 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 -0.44 2.23 -0.06 1.61 2.12 -1.26 -5.05 118.70 117.85 3gpw s GLU 219 Ca 0.00 -1.97 -0.15 0.00 0.36 0.00 0.00 54.97 53.21 3gpw s GLU 219 Cb 0.00 -1.93 -0.05 0.00 0.26 0.00 0.00 34.13 32.41 3gpw s GLU 219 CO 0.00 -0.27 0.39 0.08 -0.54 0.00 0.00 175.26 174.92 3gpw s VAL 21 N -2.68 5.13 -0.06 3.70 1.01 -1.26 -3.70 120.40 122.53 3gpw s VAL 21 Ca 0.34 0.77 0.03 0.00 0.00 0.00 0.00 61.98 63.12 3gpw s VAL 21 Cb 0.02 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.71 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 -0.50 1.60 -0.12 5.22 6.04 0.17 -4.97 117.35 124.79 3gpw s TYR 220 Ca 0.22 -0.58 -0.08 0.00 0.04 0.00 0.00 57.07 56.68 3gpw s TYR 220 Cb -0.15 -1.14 -0.04 0.00 -1.04 0.00 0.00 41.96 39.58 3gpw s TYR 220 CO 0.11 -0.27 0.16 -0.65 -1.54 0.00 0.00 175.55 173.36 3gpw s GLN 221 N 0.52 3.51 -0.24 4.97 -0.21 -1.26 -1.20 119.66 125.75 3gpw s GLN 221 Ca -0.13 -0.10 -0.02 0.00 0.02 0.00 0.00 55.36 55.14 3gpw s GLN 221 Cb -0.15 -3.20 0.07 0.00 1.00 0.00 0.00 33.01 30.73 3gpw s GLN 221 CO 0.04 0.75 0.04 0.21 -2.12 0.00 0.00 175.29 174.20 3gpw s LYS 222 N -0.96 0.87 -0.55 2.91 2.20 0.52 -4.97 119.74 119.76 3gpw s LYS 222 Ca 0.15 -0.73 -0.21 0.00 -0.36 0.00 0.00 55.97 54.83 3gpw s LYS 222 Cb -0.12 -2.17 0.06 0.00 -1.51 0.00 0.00 37.83 34.08 3gpw s LYS 222 CO 0.04 -0.73 0.77 0.42 -0.36 0.00 0.00 175.35 175.49 3gpw s ILE 223 N 1.69 4.66 0.32 5.43 1.09 -1.26 -1.50 121.20 131.64 3gpw s ILE 223 Ca 0.01 -0.34 -0.28 0.00 -1.10 0.00 0.00 60.65 58.95 3gpw s ILE 223 Cb -0.17 -4.44 -0.13 0.00 -1.06 0.00 0.00 42.46 36.65 3gpw s ILE 223 CO -0.13 -1.02 1.15 0.49 -0.10 0.00 0.00 174.94 175.34 3gpw n PHE 224 N 6.74 1.78 -3.00 3.97 0.99 0.14 -4.98 117.46 123.11 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 -2.33 -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 -1.73 3.63 0.12 -1.08 1.02 -1.26 -4.56 119.74 115.88 3gpw s LYS 225 Ca 0.57 0.16 -0.23 0.00 0.02 0.00 0.00 55.97 56.49 3gpw s LYS 225 Cb -0.63 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 3gpw s LYS 225 CO 0.61 0.01 1.19 -2.30 -0.92 0.00 0.00 175.35 173.95 3gpw n PRO 226 N -1.53 -0.32 -0.34 -1.68 -0.02 -1.26 0.20 135.00 130.04 3gpw n PRO 226 Ca -0.00 1.17 0.06 0.00 -2.02 0.00 0.00 63.50 62.71 3gpw n PRO 226 Cb 0.55 -1.72 0.22 0.00 -0.02 0.00 0.00 33.50 32.52 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 0.91 -0.86 -0.52 5.75 -1.98 -1.02 115.11 117.39 3gpw h GLN 227 Ca 0.12 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 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 0.60 0.43 0.93 -2.65 0.00 0.00 178.83 177.46 3gpw h GLU 228 N 0.94 1.22 -0.32 1.69 5.08 -0.62 -0.91 114.58 121.66 3gpw h GLU 228 Ca 0.47 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3gpw h GLU 228 Cb 0.45 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3gpw h GLU 228 CO -0.26 0.92 -0.13 0.82 -1.00 0.00 0.00 179.01 179.36 3gpw h ILE 229 N 1.21 1.29 -0.87 3.13 2.04 -0.36 -2.39 117.51 121.55 3gpw h ILE 229 Ca 0.30 -1.22 0.09 0.00 1.00 0.00 0.00 64.86 65.03 3gpw h ILE 229 Cb 0.09 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 3gpw h ILE 229 CO -0.04 0.39 0.52 0.50 0.00 0.00 0.00 178.15 179.53 3gpw h LYS 230 N 0.43 0.87 0.26 2.37 3.64 -0.74 -0.43 116.57 122.97 3gpw h LYS 230 Ca 0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3gpw h LYS 230 Cb 0.65 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3gpw h LYS 230 CO 0.04 0.57 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.23 3gpw h ASP 231 N 0.89 -0.30 -0.40 4.20 3.45 -1.02 -2.84 116.42 120.41 3gpw h ASP 231 Ca 0.41 0.01 0.11 0.00 0.43 0.00 0.00 57.03 57.99 3gpw h ASP 231 Cb 0.32 0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3gpw h ASP 231 CO -0.23 -0.19 0.59 -0.29 -1.57 0.00 0.00 179.24 177.55 3gpw h ILE 232 N -0.40 0.20 -0.00 0.35 2.10 -1.35 0.53 117.51 118.94 3gpw h ILE 232 Ca -0.04 0.00 -0.16 0.00 1.08 0.00 0.00 64.86 65.75 3gpw h ILE 232 Cb 0.27 0.50 -0.02 0.00 -1.09 0.00 0.00 36.82 36.48 3gpw h ILE 232 CO 0.06 0.00 -0.74 0.25 -1.08 0.00 0.00 178.15 176.64 3gpw h LEU 233 N 0.00 0.01 0.01 2.19 5.85 -0.90 -2.48 115.31 119.99 3gpw h LEU 233 Ca 0.19 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3gpw h LEU 233 Cb 1.36 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3gpw h LEU 233 CO -0.00 0.74 -0.14 0.58 -0.34 0.00 0.00 178.44 179.28 3gpw h VAL 234 N 0.00 1.73 -0.17 1.05 2.07 0.26 -0.90 116.25 120.29 3gpw h VAL 234 Ca -0.01 -2.36 0.05 0.00 0.82 0.00 0.00 66.70 65.20 3gpw h VAL 234 Cb 1.31 3.33 -0.06 0.00 -1.52 0.00 0.00 31.29 34.34 3gpw h VAL 234 CO 0.10 0.61 -0.27 0.11 0.02 0.00 0.00 177.57 178.13 3gpw h LYS 235 N -0.94 -0.31 0.00 1.57 1.79 -1.39 0.96 116.57 118.25 3gpw h LYS 235 Ca -0.03 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3gpw h LYS 235 Cb 1.08 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3gpw h LYS 235 CO 0.01 -0.21 0.00 0.25 -1.08 0.00 0.00 179.45 178.42 3gpw n THR 236 N -5.39 0.23 -2.01 -0.16 -2.24 -0.94 -4.81 114.28 98.96 3gpw n THR 236 Ca -0.02 0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 3gpw n THR 236 Cb 0.30 -0.98 0.01 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.75 0.46 0.00 3.38 0.00 0.33 -4.96 105.19 103.65 3gpw n GLY 237 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.49 0.00 -0.21 -0.61 5.41 -0.66 -5.04 119.36 116.76 3gpw n ILE 238 Ca -0.03 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.63 3gpw n ILE 238 Cb 0.52 0.81 0.00 0.00 -0.71 0.00 0.00 39.64 40.26 3gpw n ILE 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96