#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gpl h SER 5 N 0.00 0.35 -0.79 1.61 0.02 -2.06 -3.36 113.55 109.32 2gpl h SER 5 Ca 0.00 -0.44 0.30 0.00 -0.84 0.00 0.00 61.79 60.81 2gpl h SER 5 Cb 0.00 -0.11 -0.11 0.00 0.14 0.00 0.00 62.40 62.32 2gpl h SER 5 CO 0.00 1.36 0.46 -1.14 -1.14 0.00 0.00 176.83 176.37 2gpl n ARG 6 N -3.45 -0.03 -0.27 3.45 0.63 -1.26 0.00 116.66 115.73 2gpl n ARG 6 Ca -0.12 0.90 0.07 0.00 -0.92 0.00 0.00 57.85 57.78 2gpl n ARG 6 Cb 1.03 -1.68 0.21 0.00 0.45 0.00 0.00 32.46 32.47 2gpl n ARG 6 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2gpl h ARG 7 N 0.00 0.37 -0.24 -0.14 2.43 -2.08 -2.42 114.38 112.30 2gpl h ARG 7 Ca 0.59 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 2gpl h ARG 7 Cb 1.69 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 2gpl h ARG 7 CO -0.44 0.24 0.00 0.66 -1.51 0.00 0.00 179.97 178.93 2gpl n TYR 8 N -5.06 0.30 -2.51 2.20 4.02 0.10 -4.91 117.16 111.30 2gpl n TYR 8 Ca 0.16 -0.15 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 2gpl n TYR 8 Cb 0.49 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.79 2gpl n TYR 8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2gpl s ASP 9 N -1.59 6.82 0.42 7.72 3.68 -0.91 -4.91 116.67 127.89 2gpl s ASP 9 Ca 0.35 1.23 0.22 0.00 2.13 0.00 0.00 52.55 56.48 2gpl s ASP 9 Cb 0.20 -2.54 0.85 0.00 -1.45 0.00 0.00 42.92 39.98 2gpl s ASP 9 CO 0.29 -0.95 1.80 0.28 0.13 0.00 0.00 175.17 176.73 2gpl h SER 10 N 8.63 0.00 -5.00 -0.34 0.02 -1.91 -3.48 113.55 111.47 2gpl h SER 10 Ca -0.24 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2gpl h SER 10 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2gpl h SER 10 CO 1.02 0.28 -0.01 0.54 -1.14 0.00 0.00 176.83 177.52 2gpl n ARG 11 N -3.49 -1.13 0.05 3.45 1.74 -1.26 -4.89 116.66 111.13 2gpl n ARG 11 Ca -0.00 1.33 0.08 0.00 -0.77 0.00 0.00 57.85 58.49 2gpl n ARG 11 Cb 0.45 -5.10 0.36 0.00 -1.02 0.00 0.00 32.46 27.14 2gpl n ARG 11 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2gpl n THR 12 N -1.68 1.04 -2.51 0.55 -2.24 -1.26 -3.75 114.28 104.43 2gpl n THR 12 Ca -0.00 0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.80 2gpl n THR 12 Cb 0.50 -1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 67.58 2gpl n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2gpl n THR 13 N -1.80 2.56 -4.48 4.28 -2.24 -1.26 -4.50 114.28 106.85 2gpl n THR 13 Ca 0.02 -5.00 -0.24 0.00 -2.27 0.00 0.00 64.05 56.56 2gpl n THR 13 Cb 0.16 -1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 67.01 2gpl n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2gpl s ILE 14 N -5.36 2.47 0.17 2.28 -4.36 -1.25 -4.89 121.20 110.26 2gpl s ILE 14 Ca 0.48 -2.33 -0.16 0.00 -0.26 0.00 0.00 60.65 58.39 2gpl s ILE 14 Cb 0.38 -2.42 -0.07 0.00 1.25 0.00 0.00 42.46 41.60 2gpl s ILE 14 CO -0.19 -0.34 0.61 -0.36 0.24 0.00 0.00 174.94 174.89 2gpl s PHE 15 N -2.53 3.61 0.57 1.37 0.08 -1.26 -4.04 117.98 115.79 2gpl s PHE 15 Ca 0.31 1.17 -0.07 0.00 0.12 0.00 0.00 56.93 58.46 2gpl s PHE 15 Cb -0.03 -2.45 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 2gpl s PHE 15 CO 0.16 0.39 0.90 -1.54 -0.10 0.00 0.00 175.22 175.02 2gpl s SER 16 N -1.71 5.86 0.57 1.36 1.04 0.68 -4.86 113.70 116.64 2gpl s SER 16 Ca 0.40 0.89 0.28 0.00 0.48 0.00 0.00 55.95 58.00 2gpl s SER 16 Cb -0.15 -1.98 1.49 0.00 0.10 0.00 0.00 66.02 65.48 2gpl s SER 16 CO 0.20 -0.92 1.95 -0.65 0.98 0.00 0.00 173.24 174.80 2gpl h PRO 17 N -0.11 0.00 -0.00 4.02 0.11 -1.98 0.86 132.00 134.89 2gpl h PRO 17 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2gpl h PRO 17 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2gpl h PRO 17 CO 0.61 0.00 -0.01 0.39 -0.21 0.00 0.00 178.00 178.79 2gpl n GLU 18 N -3.90 1.16 -2.61 1.05 4.71 -1.26 -4.91 120.64 114.88 2gpl n GLU 18 Ca 0.08 -0.29 -0.04 0.00 -0.01 0.00 0.00 57.16 56.90 2gpl n GLU 18 Cb 0.63 -1.49 0.02 0.00 -1.01 0.00 0.00 31.44 29.58 2gpl n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2gpl n GLY 19 N 1.07 0.59 3.39 0.62 0.00 0.30 -5.06 105.19 106.08 2gpl n GLY 19 Ca 0.22 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 2gpl n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gpl s ARG 20 N -5.03 1.44 -0.54 1.61 0.52 -1.25 -4.82 118.95 110.88 2gpl s ARG 20 Ca 0.09 -1.62 -0.16 0.00 -0.52 0.00 0.00 55.73 53.51 2gpl s ARG 20 Cb -0.04 -1.38 0.13 0.00 0.52 0.00 0.00 34.95 34.18 2gpl s ARG 20 CO 0.14 0.25 0.52 -0.51 0.02 0.00 0.00 175.30 175.72 2gpl s LEU 21 N -3.28 6.11 0.10 2.53 1.43 -1.26 -0.23 118.68 124.08 2gpl s LEU 21 Ca 0.24 -1.75 -0.19 0.00 -1.03 0.00 0.00 54.13 51.40 2gpl s LEU 21 Cb -0.03 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 2gpl s LEU 21 CO 0.10 -0.88 1.29 -1.22 0.23 0.00 0.00 176.35 175.86 2gpl n TYR 22 N 5.35 -0.27 -0.33 0.29 4.01 -1.26 -1.29 117.16 123.67 2gpl n TYR 22 Ca -0.14 0.77 0.08 0.00 -0.16 0.00 0.00 57.90 58.45 2gpl n TYR 22 Cb 0.40 -0.54 0.28 0.00 -0.31 0.00 0.00 39.34 39.17 2gpl n TYR 22 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2gpl h GLN 23 N 0.00 0.88 -0.46 -0.72 1.08 -1.90 -0.36 115.11 113.63 2gpl h GLN 23 Ca 0.10 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2gpl h GLN 23 Cb 0.25 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2gpl h GLN 23 CO -0.58 0.59 0.10 0.28 -0.95 0.00 0.00 178.83 178.27 2gpl h VAL 24 N 0.91 1.24 -0.59 -0.54 2.07 -1.52 0.35 116.25 118.17 2gpl h VAL 24 Ca 0.47 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2gpl h VAL 24 Cb 0.53 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2gpl h VAL 24 CO -0.24 0.30 0.19 -0.33 0.02 0.00 0.00 177.57 177.52 2gpl h GLU 25 N 0.63 0.92 -0.08 1.57 4.39 -0.42 -1.15 114.58 120.43 2gpl h GLU 25 Ca 0.14 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 2gpl h GLU 25 Cb 0.35 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2gpl h GLU 25 CO 0.00 0.82 -0.52 1.88 -1.16 0.00 0.00 179.01 180.03 2gpl h TYR 26 N 0.84 0.29 -0.36 4.33 0.05 -0.93 -1.33 116.97 119.85 2gpl h TYR 26 Ca 0.19 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.80 2gpl h TYR 26 Cb 0.28 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 2gpl h TYR 26 CO 0.02 0.71 -0.07 0.00 -1.05 0.00 0.00 178.16 177.77 2gpl h ALA 27 N 1.27 0.50 -0.74 3.88 0.00 -0.63 -1.48 119.26 122.06 2gpl h ALA 27 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2gpl h ALA 27 Cb 0.99 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2gpl h ALA 27 CO 0.08 0.34 0.46 -0.07 0.00 0.00 0.00 179.25 180.06 2gpl h LEU 28 N 0.49 0.74 -1.25 0.00 3.38 -1.01 0.65 115.31 118.31 2gpl h LEU 28 Ca 0.09 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.16 2gpl h LEU 28 Cb 0.57 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2gpl h LEU 28 CO 0.03 0.50 0.55 -0.08 0.09 0.00 0.00 178.44 179.54 2gpl h GLU 29 N 0.88 0.83 -0.07 1.13 4.57 -0.88 -0.80 114.58 120.24 2gpl h GLU 29 Ca 0.31 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 2gpl h GLU 29 Cb 0.06 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 2gpl h GLU 29 CO -0.13 0.55 0.00 1.03 -1.18 0.00 0.00 179.01 179.28 2gpl h SER 30 N 0.85 0.12 -0.98 1.04 0.87 0.10 -3.15 113.55 112.40 2gpl h SER 30 Ca 0.38 -0.31 0.12 0.00 -1.23 0.00 0.00 61.79 60.76 2gpl h SER 30 Cb 0.37 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.21 2gpl h SER 30 CO -0.15 0.40 0.61 0.40 -0.53 0.00 0.00 176.83 177.55 2gpl h ILE 31 N -0.16 0.91 0.00 2.23 1.08 0.12 -1.87 117.51 119.82 2gpl h ILE 31 Ca 0.02 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2gpl h ILE 31 Cb 0.33 -0.14 0.00 0.00 -3.07 0.00 0.00 36.82 33.95 2gpl h ILE 31 CO 0.00 0.18 0.03 -1.54 -0.69 0.00 0.00 178.15 176.13 2gpl n SER 32 N -4.64 0.45 -0.86 1.72 3.41 -0.42 -0.48 113.62 112.80 2gpl n SER 32 Ca 0.18 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.61 2gpl n SER 32 Cb 0.35 -0.75 0.13 0.00 -0.26 0.00 0.00 64.21 63.69 2gpl n SER 32 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2gpl n HIS 33 N -2.11 0.00 -2.90 7.33 8.25 -0.70 -3.16 115.22 121.93 2gpl n HIS 33 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 2gpl n HIS 33 Cb 0.06 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 2gpl n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gpl s ALA 34 N -2.05 3.26 0.18 -1.41 0.00 0.36 -4.81 121.76 117.29 2gpl s ALA 34 Ca 0.28 0.02 -0.33 0.00 0.00 0.00 0.00 51.96 51.94 2gpl s ALA 34 Cb 0.20 -2.84 -0.15 0.00 0.00 0.00 0.00 23.12 20.32 2gpl s ALA 34 CO 0.33 0.11 1.18 0.41 0.00 0.00 0.00 175.76 177.79 2gpl n GLY 35 N -0.89 0.11 3.77 0.00 0.00 -1.26 -0.65 105.19 106.26 2gpl n GLY 35 Ca 0.04 0.53 -0.40 0.00 0.00 0.00 0.00 46.02 46.19 2gpl n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gpl s THR 36 N -0.18 3.01 -0.05 2.61 2.01 -1.26 -4.49 115.64 117.28 2gpl s THR 36 Ca 0.73 0.97 0.04 0.00 0.31 0.00 0.00 61.69 63.73 2gpl s THR 36 Cb -0.83 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.08 2gpl s THR 36 CO 0.52 0.20 -0.15 0.00 -0.69 0.00 0.00 174.62 174.50 2gpl s ALA 37 N -1.21 1.37 0.01 7.40 0.00 0.02 -0.57 121.76 128.77 2gpl s ALA 37 Ca 0.50 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 51.94 2gpl s ALA 37 Cb -0.36 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2gpl s ALA 37 CO 0.46 0.22 -0.16 0.42 0.00 0.00 0.00 175.76 176.70 2gpl s ILE 38 N 0.21 2.90 -0.14 0.00 -1.09 0.25 -1.14 121.20 122.19 2gpl s ILE 38 Ca -0.06 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 57.34 2gpl s ILE 38 Cb -0.12 -2.19 0.04 0.00 -1.58 0.00 0.00 42.46 38.61 2gpl s ILE 38 CO 0.02 0.43 -0.04 -0.83 -1.23 0.00 0.00 174.94 173.30 2gpl s GLY 39 N -1.18 0.79 -0.10 6.18 0.00 0.59 -1.23 107.32 112.37 2gpl s GLY 39 Ca 0.14 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.29 2gpl s GLY 39 CO 0.04 1.01 -0.17 -0.42 0.00 0.00 0.00 173.10 173.56 2gpl s ILE 40 N 1.76 1.58 -0.26 0.90 1.01 -0.24 -0.34 121.20 125.62 2gpl s ILE 40 Ca 0.03 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 2gpl s ILE 40 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 2gpl s ILE 40 CO -0.07 0.46 0.09 -0.32 0.00 0.00 0.00 174.94 175.09 2gpl s MET 41 N 0.71 3.65 0.34 2.79 1.75 0.32 -0.60 119.30 128.26 2gpl s MET 41 Ca -0.12 -0.49 0.05 0.00 -1.25 0.00 0.00 55.69 53.88 2gpl s MET 41 Cb -0.16 -3.37 0.06 0.00 2.84 0.00 0.00 34.83 34.20 2gpl s MET 41 CO 0.03 -0.21 0.47 0.00 -0.65 0.00 0.00 175.02 174.66 2gpl n ALA 42 N 4.94 0.68 0.09 4.11 0.00 0.28 -4.86 120.51 125.74 2gpl n ALA 42 Ca -0.16 -1.21 -0.11 0.00 0.00 0.00 0.00 53.44 51.96 2gpl n ALA 42 Cb 0.51 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 20.22 2gpl n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2gpl h SER 43 N 0.03 0.28 -0.42 0.00 4.64 -1.80 -3.32 113.55 112.96 2gpl h SER 43 Ca -0.16 -0.26 -0.23 0.00 -0.47 0.00 0.00 61.79 60.67 2gpl h SER 43 Cb 0.72 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 62.59 2gpl h SER 43 CO 0.22 1.12 -0.04 -0.90 -0.87 0.00 0.00 176.83 176.37 2gpl n ASP 44 N -3.58 2.68 0.00 4.97 3.85 -1.26 -5.00 116.55 118.21 2gpl n ASP 44 Ca -0.05 -3.79 0.00 0.00 -0.71 0.00 0.00 54.79 50.25 2gpl n ASP 44 Cb 0.89 -0.65 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 2gpl n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2gpl n GLY 45 N -1.12 -1.23 3.11 6.12 0.00 -1.25 -4.27 105.19 106.55 2gpl n GLY 45 Ca 0.36 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 2gpl n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gpl s ILE 46 N -1.78 0.87 -0.07 -0.61 1.01 -0.52 -0.56 121.20 119.54 2gpl s ILE 46 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.69 2gpl s ILE 46 Cb 0.00 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 2gpl s ILE 46 CO 0.00 -0.14 -0.22 -0.69 0.00 0.00 0.00 174.94 173.89 2gpl s VAL 47 N -1.02 1.84 -0.13 2.92 1.01 0.23 -1.60 120.40 123.66 2gpl s VAL 47 Ca -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2gpl s VAL 47 Cb -0.08 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2gpl s VAL 47 CO 0.01 0.51 -0.18 -0.76 0.00 0.00 0.00 175.10 174.69 2gpl s LEU 48 N 0.13 1.88 0.02 3.92 1.43 0.21 -1.08 118.68 125.19 2gpl s LEU 48 Ca -0.10 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 2gpl s LEU 48 Cb -0.15 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 2gpl s LEU 48 CO 0.05 0.03 -0.09 0.00 0.23 0.00 0.00 176.35 176.57 2gpl s ALA 49 N 1.02 0.73 -0.07 4.21 0.00 -0.37 -0.90 121.76 126.38 2gpl s ALA 49 Ca -0.04 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 2gpl s ALA 49 Cb -0.15 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.88 2gpl s ALA 49 CO -0.04 0.13 0.31 0.00 0.00 0.00 0.00 175.76 176.16 2gpl s ALA 50 N -0.60 -0.76 -0.32 0.00 0.00 -0.71 0.85 121.76 120.21 2gpl s ALA 50 Ca -0.00 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 2gpl s ALA 50 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2gpl s ALA 50 CO 0.00 -0.20 0.41 -2.00 0.00 0.00 0.00 175.76 173.98 2gpl s GLU 51 N -0.52 3.73 0.02 0.00 2.12 0.26 -1.64 118.70 122.68 2gpl s GLU 51 Ca -0.06 -0.18 -0.30 0.00 0.36 0.00 0.00 54.97 54.78 2gpl s GLU 51 Cb -0.04 -3.76 -0.08 0.00 0.26 0.00 0.00 34.13 30.52 2gpl s GLU 51 CO 0.02 -0.48 1.74 1.03 -0.54 0.00 0.00 175.26 177.04 2gpl s ARG 52 N 2.15 4.17 0.05 4.30 0.52 0.01 -4.20 118.95 125.95 2gpl s ARG 52 Ca 0.15 2.36 -0.25 0.00 -0.52 0.00 0.00 55.73 57.48 2gpl s ARG 52 Cb -0.16 -3.88 -0.06 0.00 0.52 0.00 0.00 34.95 31.37 2gpl s ARG 52 CO 0.11 -0.84 0.76 0.21 0.02 0.00 0.00 175.30 175.57 2gpl s LYS 53 N 3.62 4.49 0.31 3.54 2.20 -1.26 -4.78 119.74 127.86 2gpl s LYS 53 Ca 0.78 1.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 2gpl s LYS 53 Cb -0.38 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 2gpl s LYS 53 CO 0.34 0.31 0.00 0.28 -0.36 0.00 0.00 175.35 175.92 2gpl n VAL 54 N 2.71 -5.80 -4.01 4.02 0.31 -1.26 -5.03 118.33 109.27 2gpl n VAL 54 Ca -0.03 2.36 -0.11 0.00 -0.01 0.00 0.00 64.34 66.56 2gpl n VAL 54 Cb 0.50 -3.17 -0.04 0.00 -0.91 0.00 0.00 33.84 30.21 2gpl n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2gpl s THR 55 N -1.67 0.00 0.19 2.52 -4.23 -1.26 -5.15 115.64 106.03 2gpl s THR 55 Ca 0.00 -1.45 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 2gpl s THR 55 Cb 0.00 -2.43 -0.00 0.00 1.34 0.00 0.00 72.50 71.41 2gpl s THR 55 CO 0.00 0.00 0.35 -0.55 -0.54 0.00 0.00 174.62 173.88 2gpl s SER 56 N -3.10 -0.02 0.43 3.99 0.15 -1.26 -5.00 113.70 108.89 2gpl s SER 56 Ca 0.25 -0.86 0.18 0.00 0.70 0.00 0.00 55.95 56.22 2gpl s SER 56 Cb -0.01 0.48 0.98 0.00 -1.71 0.00 0.00 66.02 65.76 2gpl s SER 56 CO 0.13 -0.96 1.92 0.74 1.20 0.00 0.00 173.24 176.26 2gpl h THR 57 N 2.44 0.98 0.00 6.45 2.02 -2.03 -2.88 112.91 119.90 2gpl h THR 57 Ca -0.30 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 65.90 2gpl h THR 57 Cb 1.24 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 2gpl h THR 57 CO 0.44 0.26 -0.84 0.18 0.37 0.00 0.00 175.52 175.93 2gpl n LEU 58 N -3.93 0.71 -4.68 2.58 4.32 -1.26 -4.89 117.00 109.85 2gpl n LEU 58 Ca -0.02 0.20 -0.43 0.00 -0.02 0.00 0.00 56.01 55.74 2gpl n LEU 58 Cb 0.34 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 41.98 2gpl n LEU 58 CO 0.35 -0.07 1.50 -0.11 -1.22 0.00 0.00 177.39 177.85 2gpl n LEU 59 N -2.24 3.98 -4.62 2.23 7.94 -1.09 -4.89 117.00 118.31 2gpl n LEU 59 Ca 0.02 0.97 -0.43 0.00 -1.11 0.00 0.00 56.01 55.46 2gpl n LEU 59 Cb 0.47 -1.52 -0.02 0.00 0.53 0.00 0.00 43.42 42.88 2gpl n LEU 59 CO 0.38 0.14 1.17 -0.70 -1.11 0.00 0.00 177.39 177.28 2gpl s GLU 60 N 3.23 3.78 -0.06 1.96 2.56 -1.26 -4.88 118.70 124.04 2gpl s GLU 60 Ca 0.85 1.12 0.07 0.00 0.00 0.00 0.00 54.97 57.01 2gpl s GLU 60 Cb -0.50 -3.94 -0.24 0.00 2.00 0.00 0.00 34.13 31.45 2gpl s GLU 60 CO 0.40 -1.29 0.61 0.37 -0.56 0.00 0.00 175.26 174.79 2gpl h GLN 61 N 9.83 0.08 0.00 4.30 4.15 -1.95 -3.23 115.11 128.30 2gpl h GLN 61 Ca -0.27 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.00 2gpl h GLN 61 Cb 1.10 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.84 2gpl h GLN 61 CO 1.05 0.71 -0.09 -0.44 -1.93 0.00 0.00 178.83 178.14 2gpl h ASP 62 N 0.02 0.00 -0.14 -0.69 5.19 -2.01 -2.01 116.42 116.78 2gpl h ASP 62 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2gpl h ASP 62 Cb 2.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.52 2gpl h ASP 62 CO 0.09 0.09 0.00 0.41 -3.12 0.00 0.00 179.24 176.70 2gpl n THR 63 N -4.39 0.15 -3.43 0.35 -1.04 -1.26 -4.99 114.28 99.68 2gpl n THR 63 Ca -0.03 -0.58 -0.30 0.00 -2.04 0.00 0.00 64.05 61.11 2gpl n THR 63 Cb 0.16 1.34 -0.04 0.00 -1.82 0.00 0.00 70.33 69.97 2gpl n THR 63 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2gpl s SER 63 N -1.81 6.49 -0.31 8.00 0.15 -0.76 -5.07 113.70 120.39 2gpl s SER 63 Ca 0.31 0.72 0.02 0.00 0.70 0.00 0.00 55.95 57.69 2gpl s SER 63 Cb 0.20 -2.14 0.19 0.00 -1.71 0.00 0.00 66.02 62.57 2gpl s SER 63 CO 0.30 -0.12 0.71 -0.89 1.20 0.00 0.00 173.24 174.44 2gpl s THR 64 N -1.95 -0.81 -0.04 6.45 2.01 -1.26 -5.01 115.64 115.04 2gpl s THR 64 Ca 0.44 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.45 2gpl s THR 64 Cb -0.11 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 2gpl s THR 64 CO 0.27 0.00 0.03 -1.84 -0.69 0.00 0.00 174.62 172.40 2gpl n GLU 65 N 5.19 6.42 0.00 4.92 0.28 -1.26 -4.86 120.64 131.32 2gpl n GLU 65 Ca 0.07 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2gpl n GLU 65 Cb 0.55 -0.56 0.00 0.00 1.43 0.00 0.00 31.44 32.86 2gpl n GLU 65 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2gpl n LYS 66 N -1.04 2.84 -3.96 3.44 5.02 -1.26 -4.78 118.16 118.41 2gpl n LYS 66 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 2gpl n LYS 66 Cb 0.01 -0.73 -0.14 0.00 -0.02 0.00 0.00 35.03 34.15 2gpl n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gpl s LEU 67 N -1.67 3.14 -0.01 -0.35 1.02 -1.26 -0.03 118.68 119.51 2gpl s LEU 67 Ca 0.00 -0.83 0.06 0.00 0.02 0.00 0.00 54.13 53.38 2gpl s LEU 67 Cb 0.00 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 2gpl s LEU 67 CO 0.00 -0.12 -0.20 -0.31 0.02 0.00 0.00 176.35 175.74 2gpl s TYR 68 N 1.34 1.82 -0.14 0.29 2.02 -0.61 -4.99 117.35 117.08 2gpl s TYR 68 Ca 0.01 -0.34 -0.21 0.00 -0.37 0.00 0.00 57.07 56.15 2gpl s TYR 68 Cb -0.16 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 2gpl s TYR 68 CO -0.05 -0.03 0.64 0.21 -1.57 0.00 0.00 175.55 174.75 2gpl s LYS 69 N -0.48 4.32 -0.22 -0.62 2.20 -1.26 -1.20 119.74 122.47 2gpl s LYS 69 Ca 0.08 0.70 0.13 0.00 -0.36 0.00 0.00 55.97 56.51 2gpl s LYS 69 Cb -0.08 -3.51 -0.22 0.00 -1.51 0.00 0.00 37.83 32.51 2gpl s LYS 69 CO -0.01 -0.07 -0.03 1.28 -0.36 0.00 0.00 175.35 176.16 2gpl n LEU 70 N 4.39 1.00 0.00 5.43 4.77 -1.01 -4.97 117.00 126.61 2gpl n LEU 70 Ca -0.02 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.88 2gpl n LEU 70 Cb 0.51 0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 2gpl n LEU 70 CO 0.45 0.64 0.05 -3.20 -1.33 0.00 0.00 177.39 174.00 2gpl n ASN 71 N -2.92 -0.32 0.01 -1.43 4.05 -0.96 -4.54 115.26 109.15 2gpl n ASN 71 Ca -0.37 -1.41 0.13 0.00 0.45 0.00 0.00 54.58 53.38 2gpl n ASN 71 Cb 1.10 0.59 0.40 0.00 1.23 0.00 0.00 39.78 43.11 2gpl n ASN 71 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2gpl n ASP 72 N -1.92 0.31 0.00 1.20 8.00 -1.26 -4.09 116.55 118.79 2gpl n ASP 72 Ca -0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2gpl n ASP 72 Cb 0.13 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2gpl n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2gpl n LYS 73 N -1.55 2.56 -4.36 -1.24 5.02 -1.26 -4.49 118.16 112.84 2gpl n LYS 73 Ca 0.06 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 2gpl n LYS 73 Cb 0.35 -0.74 -0.10 0.00 -0.02 0.00 0.00 35.03 34.51 2gpl n LYS 73 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2gpl s ILE 74 N -1.34 3.60 0.02 -0.18 1.09 -1.26 -2.26 121.20 120.87 2gpl s ILE 74 Ca 0.00 -0.95 -0.16 0.00 -1.10 0.00 0.00 60.65 58.44 2gpl s ILE 74 Cb 0.00 -2.61 0.03 0.00 -1.06 0.00 0.00 42.46 38.81 2gpl s ILE 74 CO 0.00 0.28 0.36 0.00 -0.10 0.00 0.00 174.94 175.48 2gpl s ALA 75 N -1.09 -0.88 0.09 9.38 0.00 -0.61 -2.26 121.76 126.39 2gpl s ALA 75 Ca 0.19 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.46 2gpl s ALA 75 Cb -0.11 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2gpl s ALA 75 CO 0.11 -0.39 -0.11 0.14 0.00 0.00 0.00 175.76 175.51 2gpl s VAL 76 N -2.13 1.01 -0.10 0.00 -7.23 -0.34 -0.42 120.40 111.19 2gpl s VAL 76 Ca -0.08 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2gpl s VAL 76 Cb -0.02 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 2gpl s VAL 76 CO -0.00 -0.47 -0.11 0.00 -0.31 0.00 0.00 175.10 174.20 2gpl s ALA 77 N -2.16 2.76 -0.01 1.32 0.00 -0.32 -1.58 121.76 121.78 2gpl s ALA 77 Ca 0.04 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 2gpl s ALA 77 Cb -0.05 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2gpl s ALA 77 CO 0.01 0.38 0.08 0.08 0.00 0.00 0.00 175.76 176.31 2gpl s VAL 78 N -0.14 4.71 -0.19 0.00 1.01 0.96 -1.86 120.40 124.89 2gpl s VAL 78 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2gpl s VAL 78 Cb -0.13 -3.15 0.08 0.00 0.00 0.00 0.00 36.38 33.17 2gpl s VAL 78 CO 0.03 0.36 0.14 0.00 0.00 0.00 0.00 175.10 175.63 2gpl s ALA 79 N -1.18 0.20 0.00 5.51 0.00 -0.79 -4.81 121.76 120.69 2gpl s ALA 79 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2gpl s ALA 79 Cb -0.12 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2gpl s ALA 79 CO 0.13 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.07 2gpl n GLY 80 N 5.29 0.67 3.60 0.00 0.00 -1.26 -1.21 105.19 112.29 2gpl n GLY 80 Ca -0.06 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 2gpl n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gpl s LEU 81 N 0.00 3.58 0.14 0.99 2.01 0.53 -4.91 118.68 121.02 2gpl s LEU 81 Ca 0.00 1.35 -0.21 0.00 0.01 0.00 0.00 54.13 55.28 2gpl s LEU 81 Cb 0.00 -3.53 0.02 0.00 0.01 0.00 0.00 46.19 42.69 2gpl s LEU 81 CO 0.00 -1.61 1.66 0.74 1.01 0.00 0.00 176.35 178.15 2gpl h THR 82 N 6.67 0.56 -0.66 5.49 2.02 -1.91 -0.75 112.91 124.33 2gpl h THR 82 Ca -0.34 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.94 2gpl h THR 82 Cb 1.16 0.56 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 2gpl h THR 82 CO 1.03 0.00 0.29 0.00 0.37 0.00 0.00 175.52 177.21 2gpl h ALA 83 N 1.02 0.89 -0.73 6.16 0.00 -1.99 0.68 119.26 125.30 2gpl h ALA 83 Ca 0.13 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2gpl h ALA 83 Cb 0.34 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2gpl h ALA 83 CO -0.32 -0.13 0.31 -0.44 0.00 0.00 0.00 179.25 178.67 2gpl h ASP 84 N 0.50 0.99 -0.48 0.00 3.45 -1.79 -2.67 116.42 116.41 2gpl h ASP 84 Ca 0.33 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.64 2gpl h ASP 84 Cb 0.39 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 2gpl h ASP 84 CO -0.29 0.88 0.32 0.00 -1.57 0.00 0.00 179.24 178.57 2gpl h ALA 85 N 1.15 0.61 -0.78 3.45 0.00 0.29 -2.42 119.26 121.56 2gpl h ALA 85 Ca 0.24 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2gpl h ALA 85 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2gpl h ALA 85 CO -0.02 0.06 0.52 0.93 0.00 0.00 0.00 179.25 180.73 2gpl h GLU 86 N 0.65 0.98 0.28 0.00 5.08 -0.61 0.18 114.58 121.15 2gpl h GLU 86 Ca 0.18 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2gpl h GLU 86 Cb -0.07 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 2gpl h GLU 86 CO -0.04 0.65 -0.24 0.82 -1.00 0.00 0.00 179.01 179.20 2gpl h ILE 87 N 1.01 0.48 -0.80 3.13 1.08 -1.14 -1.34 117.51 119.93 2gpl h ILE 87 Ca 0.30 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.76 2gpl h ILE 87 Cb -0.04 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 2gpl h ILE 87 CO -0.08 0.00 0.48 -0.07 -0.69 0.00 0.00 178.15 177.79 2gpl h LEU 88 N -0.55 0.96 -0.52 1.44 3.38 -1.12 -2.76 115.31 116.14 2gpl h LEU 88 Ca -0.01 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2gpl h LEU 88 Cb 0.49 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2gpl h LEU 88 CO -0.03 0.75 0.30 0.40 0.09 0.00 0.00 178.44 179.95 2gpl h ILE 89 N 1.09 1.03 -0.64 1.22 2.04 -0.40 0.25 117.51 122.10 2gpl h ILE 89 Ca 0.29 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2gpl h ILE 89 Cb -0.03 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 2gpl h ILE 89 CO -0.05 0.11 0.35 -1.13 0.00 0.00 0.00 178.15 177.42 2gpl h ASN 90 N 0.60 0.81 0.08 1.72 -1.24 -0.97 0.64 115.58 117.22 2gpl h ASN 90 Ca 0.22 -0.10 -0.10 0.00 0.71 0.00 0.00 56.30 57.03 2gpl h ASN 90 Cb 0.05 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 2gpl h ASN 90 CO -0.11 0.68 -0.31 0.71 -1.29 0.00 0.00 177.43 177.10 2gpl h THR 91 N 0.88 1.28 -0.09 -3.57 1.35 -1.22 -2.16 112.91 109.38 2gpl h THR 91 Ca 0.23 -1.33 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2gpl h THR 91 Cb 0.05 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2gpl h THR 91 CO -0.04 0.41 0.05 0.00 -0.25 0.00 0.00 175.52 175.70 2gpl h ALA 92 N 1.37 0.12 -0.25 6.62 0.00 -0.11 -0.80 119.26 126.21 2gpl h ALA 92 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2gpl h ALA 92 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2gpl h ALA 92 CO 0.05 -0.36 0.17 0.00 0.00 0.00 0.00 179.25 179.11 2gpl h ARG 93 N 0.07 0.22 -0.05 0.00 3.08 -0.57 -1.92 114.38 115.22 2gpl h ARG 93 Ca 0.03 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.89 2gpl h ARG 93 Cb 0.05 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.06 2gpl h ARG 93 CO -0.01 0.15 -0.68 0.82 -1.07 0.00 0.00 179.97 179.18 2gpl h ILE 94 N 0.23 1.36 -0.92 2.04 2.04 -0.85 -2.72 117.51 118.69 2gpl h ILE 94 Ca 0.10 -2.02 0.02 0.00 1.00 0.00 0.00 64.86 63.96 2gpl h ILE 94 Cb 0.14 2.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 2gpl h ILE 94 CO -0.02 0.61 0.61 -0.74 0.00 0.00 0.00 178.15 178.60 2gpl h HIS 95 N 0.13 1.15 -0.25 1.37 2.76 -0.73 0.95 115.15 120.53 2gpl h HIS 95 Ca -0.07 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.16 2gpl h HIS 95 Cb 1.35 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 2gpl h HIS 95 CO 0.12 0.70 0.05 0.00 -1.30 0.00 0.00 177.93 177.51 2gpl h ALA 96 N 1.35 0.26 -0.14 5.26 0.00 -1.35 -1.62 119.26 123.01 2gpl h ALA 96 Ca 0.35 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 2gpl h ALA 96 Cb -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2gpl h ALA 96 CO -0.09 -0.36 -0.39 1.96 0.00 0.00 0.00 179.25 180.37 2gpl h GLN 97 N 0.15 0.31 -0.32 0.00 1.08 -1.02 -1.97 115.11 113.34 2gpl h GLN 97 Ca 0.11 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2gpl h GLN 97 Cb 0.11 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2gpl h GLN 97 CO -0.15 0.65 0.09 -0.91 -0.95 0.00 0.00 178.83 177.57 2gpl h ASN 98 N 0.26 0.48 -0.31 1.46 2.35 -0.43 -0.85 115.58 118.54 2gpl h ASN 98 Ca 0.03 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 55.60 2gpl h ASN 98 Cb 0.80 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 2gpl h ASN 98 CO 0.06 0.57 0.11 0.22 -1.65 0.00 0.00 177.43 176.74 2gpl h TYR 99 N 0.37 0.19 -0.70 1.19 3.20 -1.20 0.54 116.97 120.54 2gpl h TYR 99 Ca 0.10 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 2gpl h TYR 99 Cb 0.27 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 2gpl h TYR 99 CO 0.01 0.08 0.47 1.25 -1.64 0.00 0.00 178.16 178.33 2gpl h LEU 100 N 0.24 0.79 -0.50 2.82 5.85 -1.13 -0.75 115.31 122.62 2gpl h LEU 100 Ca 0.14 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 2gpl h LEU 100 Cb 0.11 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2gpl h LEU 100 CO -0.15 0.56 -0.66 0.50 -0.34 0.00 0.00 178.44 178.36 2gpl h LYS 101 N 0.93 0.37 0.01 1.25 3.64 0.01 0.79 116.57 123.55 2gpl h LYS 101 Ca 0.26 -0.28 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 2gpl h LYS 101 Cb -0.07 0.05 0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2gpl h LYS 101 CO -0.06 0.90 -0.77 1.15 -2.27 0.00 0.00 179.45 178.39 2gpl h THR 102 N 0.26 1.37 -0.00 1.00 2.02 -0.41 -3.38 112.91 113.78 2gpl h THR 102 Ca -0.02 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.01 2gpl h THR 102 Cb 1.21 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 2gpl h THR 102 CO 0.11 0.64 -0.42 -1.22 0.37 0.00 0.00 175.52 175.01 2gpl n TYR 103 N -4.08 0.00 -3.36 3.16 4.01 -0.34 -5.00 117.16 111.55 2gpl n TYR 103 Ca -0.11 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.40 2gpl n TYR 103 Cb 0.76 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.85 2gpl n TYR 103 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2gpl n ASN 104 N -1.06 -6.30 -3.82 7.72 3.02 0.27 -4.99 115.26 110.09 2gpl n ASN 104 Ca 0.02 -0.43 -0.12 0.00 -0.03 0.00 0.00 54.58 54.02 2gpl n ASN 104 Cb 0.16 -5.01 -0.09 0.00 -0.61 0.00 0.00 39.78 34.23 2gpl n ASN 104 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2gpl s GLU 105 N -6.06 0.55 0.47 3.52 2.02 -1.25 -5.07 118.70 112.88 2gpl s GLU 105 Ca 0.47 -0.30 -0.23 0.00 0.02 0.00 0.00 54.97 54.93 2gpl s GLU 105 Cb -0.21 0.24 -0.07 0.00 0.10 0.00 0.00 34.13 34.19 2gpl s GLU 105 CO 0.58 -0.14 1.22 -0.51 0.02 0.00 0.00 175.26 176.43 2gpl s ASP 106 N -1.32 5.99 0.04 -0.19 1.01 -1.26 -3.81 116.67 117.13 2gpl s ASP 106 Ca -0.14 2.44 -0.31 0.00 0.71 0.00 0.00 52.55 55.25 2gpl s ASP 106 Cb -0.06 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.19 2gpl s ASP 106 CO 0.03 -1.05 1.43 -0.51 0.21 0.00 0.00 175.17 175.27 2gpl s ILE 107 N -1.46 3.52 0.22 0.77 2.07 -1.26 -4.93 121.20 120.12 2gpl s ILE 107 Ca 0.65 0.98 -0.32 0.00 -1.41 0.00 0.00 60.65 60.54 2gpl s ILE 107 Cb -0.32 -3.63 -0.13 0.00 0.13 0.00 0.00 42.46 38.51 2gpl s ILE 107 CO 0.39 0.02 1.48 -2.65 -1.91 0.00 0.00 174.94 172.27 2gpl n PRO 108 N 5.01 2.15 -0.29 3.50 -0.02 -1.26 -4.85 135.00 139.24 2gpl n PRO 108 Ca 0.13 0.77 0.09 0.00 -2.02 0.00 0.00 63.50 62.47 2gpl n PRO 108 Cb 0.43 -2.48 0.22 0.00 -0.02 0.00 0.00 33.50 31.65 2gpl n PRO 108 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2gpl h VAL 109 N 3.26 0.27 -0.41 -1.45 2.07 -1.92 -1.51 116.25 116.57 2gpl h VAL 109 Ca -0.45 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 2gpl h VAL 109 Cb 1.26 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2gpl h VAL 109 CO 0.80 0.02 -0.18 -0.08 0.02 0.00 0.00 177.57 178.15 2gpl h GLU 110 N 0.12 0.78 -0.94 1.57 4.81 -1.99 -2.36 114.58 116.57 2gpl h GLU 110 Ca 0.49 -0.30 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2gpl h GLU 110 Cb 0.93 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.20 2gpl h GLU 110 CO -0.71 0.91 0.61 0.82 -0.73 0.00 0.00 179.01 179.91 2gpl h ILE 111 N 0.69 1.08 -0.33 2.32 2.04 -1.64 0.28 117.51 121.96 2gpl h ILE 111 Ca 0.10 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 65.42 2gpl h ILE 111 Cb 0.68 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2gpl h ILE 111 CO 0.05 0.20 -0.46 0.25 0.00 0.00 0.00 178.15 178.19 2gpl h LEU 112 N 1.09 0.97 -0.56 1.44 6.46 -1.34 -2.54 115.31 120.84 2gpl h LEU 112 Ca 0.40 -0.50 -0.11 0.00 -0.12 0.00 0.00 57.88 57.55 2gpl h LEU 112 Cb 0.17 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 2gpl h LEU 112 CO -0.15 1.28 -0.09 0.58 -0.62 0.00 0.00 178.44 179.43 2gpl h VAL 113 N 0.68 1.27 -0.29 1.05 2.07 -0.76 -2.50 116.25 117.76 2gpl h VAL 113 Ca 0.04 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 2gpl h VAL 113 Cb 1.06 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2gpl h VAL 113 CO 0.11 0.45 -0.18 -0.09 0.02 0.00 0.00 177.57 177.87 2gpl h ARG 114 N 0.93 0.52 0.19 1.57 2.43 -0.48 -1.93 114.38 117.61 2gpl h ARG 114 Ca 0.15 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2gpl h ARG 114 Cb 0.66 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2gpl h ARG 114 CO 0.05 0.68 -0.09 -0.09 -1.51 0.00 0.00 179.97 179.01 2gpl h ARG 115 N 0.47 -0.25 -0.73 0.20 9.65 -1.25 -0.61 114.38 121.87 2gpl h ARG 115 Ca 0.08 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 2gpl h ARG 115 Cb 0.58 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.17 2gpl h ARG 115 CO 0.04 0.01 0.45 -0.07 2.80 0.00 0.00 179.97 183.20 2gpl h LEU 116 N -0.49 0.74 -1.08 3.80 3.38 -1.40 -2.08 115.31 118.18 2gpl h LEU 116 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2gpl h LEU 116 Cb 0.38 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2gpl h LEU 116 CO 0.04 0.50 0.28 0.28 0.09 0.00 0.00 178.44 179.63 2gpl h SER 117 N 0.87 0.85 -0.40 -0.43 0.02 -1.24 -1.99 113.55 111.23 2gpl h SER 117 Ca 0.30 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2gpl h SER 117 Cb 0.05 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2gpl h SER 117 CO -0.12 0.75 0.11 0.44 -1.14 0.00 0.00 176.83 176.86 2gpl h ASP 118 N 0.92 0.67 0.32 3.07 3.45 -0.44 0.15 116.42 124.56 2gpl h ASP 118 Ca 0.22 -0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 2gpl h ASP 118 Cb 0.15 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 2gpl h ASP 118 CO -0.02 0.67 -0.16 0.40 -1.57 0.00 0.00 179.24 178.56 2gpl h ILE 119 N 0.70 0.69 -0.35 0.35 1.08 -0.85 -1.07 117.51 118.05 2gpl h ILE 119 Ca 0.16 -0.04 0.04 0.00 -0.39 0.00 0.00 64.86 64.63 2gpl h ILE 119 Cb 0.27 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 2gpl h ILE 119 CO -0.00 0.01 0.12 0.11 -0.69 0.00 0.00 178.15 177.70 2gpl h LYS 120 N -0.45 0.26 -0.40 2.37 1.57 -0.95 -1.11 116.57 117.86 2gpl h LYS 120 Ca -0.04 -0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.82 2gpl h LYS 120 Cb 0.35 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2gpl h LYS 120 CO 0.07 0.17 0.28 0.37 -0.57 0.00 0.00 179.45 179.77 2gpl h GLN 121 N 0.27 0.07 -0.36 3.15 -0.00 -0.44 -1.85 115.11 115.95 2gpl h GLN 121 Ca 0.16 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.79 2gpl h GLN 121 Cb 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.58 2gpl h GLN 121 CO -0.16 0.05 0.18 0.78 0.00 0.00 0.00 178.83 179.67 2gpl h GLY 122 N 0.07 0.55 1.22 2.39 0.00 0.14 -1.78 103.07 105.65 2gpl h GLY 122 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2gpl h GLY 122 CO -0.01 0.25 0.00 -1.72 0.00 0.00 0.00 176.54 175.06 2gpl n TYR 123 N -4.74 0.00 -0.07 5.60 4.02 -0.70 -1.48 117.16 119.79 2gpl n TYR 123 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 2gpl n TYR 123 Cb 0.10 -0.11 -0.15 0.00 -0.02 0.00 0.00 39.34 39.16 2gpl n TYR 123 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2gpl n THR 124 N -1.11 1.40 0.04 -0.72 -1.04 -0.68 -4.55 114.28 107.63 2gpl n THR 124 Ca 0.04 -0.83 0.07 0.00 -2.04 0.00 0.00 64.05 61.29 2gpl n THR 124 Cb 0.03 -0.60 -0.10 0.00 -1.82 0.00 0.00 70.33 67.84 2gpl n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2gpl n GLN 125 N -2.81 0.60 -3.48 -2.82 7.27 -0.55 -4.68 117.38 110.90 2gpl n GLN 125 Ca -0.27 -0.11 -0.12 0.00 0.07 0.00 0.00 57.00 56.57 2gpl n GLN 125 Cb 1.11 -1.29 -0.03 0.00 2.41 0.00 0.00 30.24 32.44 2gpl n GLN 125 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 2gpl s HIS 126 N -2.85 -0.45 0.00 3.69 -3.43 -1.00 -4.99 115.29 106.26 2gpl s HIS 126 Ca -0.04 0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 2gpl s HIS 126 Cb 0.08 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.72 2gpl s HIS 126 CO 0.54 -0.82 0.00 0.41 -2.00 0.00 0.00 174.74 172.87 2gpl n GLY 127 N -0.34 2.11 2.50 -1.38 0.00 -1.26 -4.45 105.19 102.36 2gpl n GLY 127 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2gpl n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gpl n GLY 128 N -0.41 1.24 3.81 -0.02 0.00 -1.26 -4.99 105.19 103.55 2gpl n GLY 128 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 2gpl n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gpl s LEU 129 N -2.68 3.80 0.52 0.99 1.43 -1.26 -4.64 118.68 116.85 2gpl s LEU 129 Ca 0.00 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 2gpl s LEU 129 Cb 0.00 -2.38 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 2gpl s LEU 129 CO 0.00 0.02 1.08 0.00 0.23 0.00 0.00 176.35 177.68 2gpl s ARG 130 N -3.43 3.54 1.02 1.70 1.70 -1.26 -4.80 118.95 117.42 2gpl s ARG 130 Ca 0.32 1.47 -0.14 0.00 -0.47 0.00 0.00 55.73 56.91 2gpl s ARG 130 Cb -0.09 -2.05 0.20 0.00 -0.57 0.00 0.00 34.95 32.44 2gpl s ARG 130 CO 0.24 -0.67 1.11 -2.14 -1.08 0.00 0.00 175.30 172.77 2gpl s PRO 131 N -3.33 0.27 0.01 3.89 0.02 -1.26 -5.00 135.00 129.60 2gpl s PRO 131 Ca 0.70 0.31 -0.24 0.00 0.02 0.00 0.00 61.00 61.78 2gpl s PRO 131 Cb -0.20 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 2gpl s PRO 131 CO 0.25 -2.79 0.73 -0.06 -0.33 0.00 0.00 177.00 174.80 2gpl s PHE 132 N -3.08 3.69 -1.33 6.54 0.40 -1.26 -4.95 117.98 117.98 2gpl s PHE 132 Ca 0.66 1.39 -0.08 0.00 -0.60 0.00 0.00 56.93 58.30 2gpl s PHE 132 Cb -0.16 -2.80 0.12 0.00 0.51 0.00 0.00 43.02 40.70 2gpl s PHE 132 CO 0.56 0.23 2.15 0.41 0.70 0.00 0.00 175.22 179.27 2gpl n GLY 133 N 2.58 4.86 2.95 4.36 0.00 -1.26 -4.51 105.19 114.18 2gpl n GLY 133 Ca -0.02 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 2gpl n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gpl s VAL 134 N 0.20 0.05 -0.05 1.61 1.01 -1.26 -0.35 120.40 121.61 2gpl s VAL 134 Ca 0.47 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2gpl s VAL 134 Cb 0.14 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.36 2gpl s VAL 134 CO -0.04 -0.24 -0.11 -0.44 0.00 0.00 0.00 175.10 174.27 2gpl s SER 135 N -0.71 1.53 0.11 3.32 0.01 -0.35 -3.07 113.70 114.54 2gpl s SER 135 Ca -0.08 -0.25 0.08 0.00 1.31 0.00 0.00 55.95 57.01 2gpl s SER 135 Cb -0.05 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.56 2gpl s SER 135 CO -0.00 0.05 -0.14 -0.36 0.41 0.00 0.00 173.24 173.20 2gpl s PHE 136 N 0.45 2.64 -0.20 2.43 0.40 0.61 -1.88 117.98 122.43 2gpl s PHE 136 Ca -0.09 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 2gpl s PHE 136 Cb -0.13 -1.39 0.04 0.00 0.51 0.00 0.00 43.02 42.05 2gpl s PHE 136 CO 0.02 0.41 -0.15 0.42 0.70 0.00 0.00 175.22 176.61 2gpl s ILE 137 N -1.18 2.00 -0.20 0.64 1.01 -0.77 -1.62 121.20 121.08 2gpl s ILE 137 Ca 0.20 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 2gpl s ILE 137 Cb -0.11 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2gpl s ILE 137 CO 0.12 0.31 0.16 -0.31 0.00 0.00 0.00 174.94 175.22 2gpl s TYR 138 N 1.26 3.41 -0.28 3.97 1.51 0.90 -1.18 117.35 126.94 2gpl s TYR 138 Ca -0.00 0.37 0.02 0.00 -1.01 0.00 0.00 57.07 56.45 2gpl s TYR 138 Cb -0.16 -2.19 0.08 0.00 -0.11 0.00 0.00 41.96 39.58 2gpl s TYR 138 CO -0.10 0.27 -0.02 0.00 -1.11 0.00 0.00 175.55 174.60 2gpl s ALA 139 N 0.41 2.36 0.30 3.71 0.00 0.44 -0.67 121.76 128.32 2gpl s ALA 139 Ca 0.09 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.19 2gpl s ALA 139 Cb -0.11 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 2gpl s ALA 139 CO -0.01 -1.41 0.33 0.20 0.00 0.00 0.00 175.76 174.87 2gpl s GLY 140 N 1.19 1.75 -0.04 0.00 0.00 -1.06 -1.58 107.32 107.58 2gpl s GLY 140 Ca 0.01 -1.73 -0.03 0.00 0.00 0.00 0.00 44.72 42.97 2gpl s GLY 140 CO -0.09 -1.24 0.10 -0.47 0.00 0.00 0.00 173.10 171.41 2gpl s TYR 141 N -3.48 -0.11 0.16 1.90 6.14 -0.96 -0.47 117.35 120.53 2gpl s TYR 141 Ca 0.36 0.31 -0.05 0.00 0.64 0.00 0.00 57.07 58.32 2gpl s TYR 141 Cb 0.02 -0.03 -0.02 0.00 0.42 0.00 0.00 41.96 42.35 2gpl s TYR 141 CO 0.21 -0.09 0.19 0.16 0.64 0.00 0.00 175.55 176.66 2gpl s ASP 142 N 0.50 0.15 -0.10 4.32 1.47 -1.19 -4.83 116.67 116.99 2gpl s ASP 142 Ca -0.04 -1.07 0.01 0.00 1.18 0.00 0.00 52.55 52.64 2gpl s ASP 142 Cb -0.05 0.38 0.16 0.00 -0.34 0.00 0.00 42.92 43.08 2gpl s ASP 142 CO -0.02 -0.84 1.15 -0.90 0.68 0.00 0.00 175.17 175.24 2gpl n ASP 143 N -0.18 3.00 0.00 2.11 5.75 -1.26 -0.88 116.55 125.09 2gpl n ASP 143 Ca -0.05 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 2gpl n ASP 143 Cb 0.64 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2gpl n ASP 143 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2gpl n ARG 144 N 0.12 2.56 0.00 0.11 0.63 -1.26 -4.82 116.66 114.00 2gpl n ARG 144 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2gpl n ARG 144 Cb 0.73 -0.85 0.00 0.00 0.45 0.00 0.00 32.46 32.78 2gpl n ARG 144 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2gpl n TYR 14 N -1.43 0.00 -4.06 -0.14 4.01 -1.24 -5.13 117.16 109.17 2gpl n TYR 14 Ca 0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2gpl n TYR 14 Cb 0.26 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2gpl n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gpl n GLY 145 N -0.05 1.00 3.69 2.72 0.00 -0.05 -4.62 105.19 107.88 2gpl n GLY 145 Ca 0.00 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 2gpl n GLY 145 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gpl n TYR 146 N 0.00 2.38 -4.17 1.61 4.01 -1.26 -3.20 117.16 116.53 2gpl n TYR 146 Ca 0.00 0.32 -0.11 0.00 -0.16 0.00 0.00 57.90 57.96 2gpl n TYR 146 Cb 0.00 -2.53 -0.10 0.00 -0.31 0.00 0.00 39.34 36.40 2gpl n TYR 146 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2gpl s GLN 147 N 0.04 0.84 -0.08 -0.72 -0.21 0.38 -4.99 119.66 114.93 2gpl s GLN 147 Ca 0.71 -1.35 -0.03 0.00 0.02 0.00 0.00 55.36 54.71 2gpl s GLN 147 Cb -0.61 -0.17 0.04 0.00 1.00 0.00 0.00 33.01 33.27 2gpl s GLN 147 CO 0.45 -0.04 0.15 -1.17 -2.12 0.00 0.00 175.29 172.56 2gpl s LEU 148 N -3.05 0.26 0.31 2.90 2.96 -1.26 -2.56 118.68 118.26 2gpl s LEU 148 Ca 0.13 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.39 2gpl s LEU 148 Cb 0.06 0.31 -0.06 0.00 0.50 0.00 0.00 46.19 47.00 2gpl s LEU 148 CO -0.04 -0.20 0.07 -0.31 -1.32 0.00 0.00 176.35 174.55 2gpl s TYR 149 N 1.82 1.86 -0.12 5.38 2.02 0.15 -1.03 117.35 127.44 2gpl s TYR 149 Ca -0.02 -1.03 -0.10 0.00 -0.37 0.00 0.00 57.07 55.55 2gpl s TYR 149 Cb -0.12 -1.19 0.03 0.00 -0.40 0.00 0.00 41.96 40.28 2gpl s TYR 149 CO -0.06 -0.09 0.30 -0.08 -1.57 0.00 0.00 175.55 174.06 2gpl s THR 150 N -3.40 -0.00 0.01 -0.71 -1.32 -0.70 -0.07 115.64 109.45 2gpl s THR 150 Ca 0.36 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 2gpl s THR 150 Cb 0.08 -0.43 -0.01 0.00 -1.51 0.00 0.00 72.50 70.63 2gpl s THR 150 CO 0.15 0.01 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.61 2gpl s SER 151 N 0.31 0.20 0.39 8.08 1.04 -0.64 -1.97 113.70 121.11 2gpl s SER 151 Ca -0.01 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.24 2gpl s SER 151 Cb -0.03 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2gpl s SER 151 CO -0.01 -0.10 0.08 0.54 0.98 0.00 0.00 173.24 174.73 2gpl s ASN 152 N -0.59 2.85 0.47 7.02 2.20 -1.19 -0.28 114.94 125.41 2gpl s ASN 152 Ca -0.06 -1.56 0.36 0.00 -0.94 0.00 0.00 52.86 50.66 2gpl s ASN 152 Cb -0.04 0.28 1.54 0.00 -2.00 0.00 0.00 41.25 41.03 2gpl s ASN 152 CO -0.00 -0.80 1.59 -0.65 -2.94 0.00 0.00 177.10 174.30 2gpl h PRO 153 N 1.84 0.02 0.00 3.55 0.11 -1.77 0.15 132.00 135.90 2gpl h PRO 153 Ca -0.39 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 2gpl h PRO 153 Cb 1.27 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2gpl h PRO 153 CO 0.64 0.01 -0.37 0.66 -0.21 0.00 0.00 178.00 178.73 2gpl h SER 154 N 0.02 0.00 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.84 2gpl h SER 154 Ca 0.88 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.20 2gpl h SER 154 Cb 3.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.09 2gpl h SER 154 CO -0.36 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2gpl n GLY 155 N -0.29 1.04 3.87 -0.77 0.00 0.51 -4.00 105.19 105.55 2gpl n GLY 155 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2gpl n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gpl s ASN 156 N -2.00 6.68 0.03 1.61 3.04 -1.26 -4.60 114.94 118.44 2gpl s ASN 156 Ca 0.00 0.89 -0.01 0.00 0.04 0.00 0.00 52.86 53.78 2gpl s ASN 156 Cb 0.00 -2.21 -0.03 0.00 -1.54 0.00 0.00 41.25 37.47 2gpl s ASN 156 CO 0.00 0.07 -0.02 -0.72 -3.04 0.00 0.00 177.10 173.39 2gpl s TYR 157 N -1.56 0.35 0.15 0.43 -0.85 -1.26 -3.18 117.35 111.43 2gpl s TYR 157 Ca 0.39 -0.72 -0.10 0.00 -0.52 0.00 0.00 57.07 56.11 2gpl s TYR 157 Cb -0.13 -0.26 0.00 0.00 0.38 0.00 0.00 41.96 41.95 2gpl s TYR 157 CO 0.20 -0.27 0.30 0.95 -1.52 0.00 0.00 175.55 175.21 2gpl s THR 158 N -2.45 0.08 0.06 -3.49 -4.23 -0.83 -4.97 115.64 99.81 2gpl s THR 158 Ca -0.07 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2gpl s THR 158 Cb -0.03 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 2gpl s THR 158 CO -0.05 -0.36 0.16 -0.83 -0.54 0.00 0.00 174.62 173.01 2gpl s GLY 159 N -2.92 2.12 0.14 3.99 0.00 -1.26 -1.72 107.32 107.67 2gpl s GLY 159 Ca 0.12 -0.89 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 2gpl s GLY 159 CO -0.04 -0.86 0.19 -0.98 0.00 0.00 0.00 173.10 171.41 2gpl s TRP 160 N -1.44 0.50 -0.17 1.90 0.52 -0.20 -4.98 118.94 115.08 2gpl s TRP 160 Ca 0.32 -0.89 0.11 0.00 0.02 0.00 0.00 56.10 55.66 2gpl s TRP 160 Cb -0.13 -0.19 -0.23 0.00 -1.15 0.00 0.00 33.47 31.77 2gpl s TRP 160 CO 0.24 -0.63 0.19 1.63 0.02 0.00 0.00 176.95 178.41 2gpl n LYS 161 N -0.15 0.68 -3.69 4.98 5.02 -1.26 -4.18 118.16 119.57 2gpl n LYS 161 Ca -0.08 0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 2gpl n LYS 161 Cb 0.63 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.95 2gpl n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gpl s ALA 162 N -2.53 -1.36 0.13 7.82 0.00 -1.26 0.12 121.76 124.68 2gpl s ALA 162 Ca -0.15 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.13 2gpl s ALA 162 Cb 0.07 -0.91 0.07 0.00 0.00 0.00 0.00 23.12 22.36 2gpl s ALA 162 CO 0.78 -0.26 0.64 -1.50 0.00 0.00 0.00 175.76 175.42 2gpl s ILE 163 N 0.32 0.00 0.06 0.00 -1.16 0.54 -5.00 121.20 115.97 2gpl s ILE 163 Ca -0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 2gpl s ILE 163 Cb -0.04 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 42.00 2gpl s ILE 163 CO 0.00 0.00 -0.06 -0.94 -2.81 0.00 0.00 174.94 171.14 2gpl s SER 164 N -2.65 0.81 0.04 4.50 1.04 -1.26 -0.30 113.70 115.88 2gpl s SER 164 Ca 0.01 -0.84 -0.02 0.00 0.48 0.00 0.00 55.95 55.58 2gpl s SER 164 Cb -0.01 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 2gpl s SER 164 CO -0.12 -0.42 0.01 0.68 0.98 0.00 0.00 173.24 174.38 2gpl s VAL 165 N -2.94 0.16 0.00 5.02 -7.23 -0.29 -4.96 120.40 110.16 2gpl s VAL 165 Ca 0.02 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2gpl s VAL 165 Cb 0.01 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.99 2gpl s VAL 165 CO -0.04 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.63 2gpl n GLY 166 N 0.74 0.59 3.81 2.32 0.00 -1.26 -0.80 105.19 110.59 2gpl n GLY 166 Ca -0.18 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 2gpl n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gpl s ALA 167 N -2.00 2.91 -1.53 4.61 0.00 0.17 -4.07 121.76 121.85 2gpl s ALA 167 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 2gpl s ALA 167 Cb 0.00 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 19.98 2gpl s ALA 167 CO 0.00 -0.25 0.71 0.09 0.00 0.00 0.00 175.76 176.31 2gpl n ASN 168 N -1.03 -2.51 -0.20 0.00 3.02 -1.26 -4.60 115.26 108.68 2gpl n ASN 168 Ca 0.08 -0.94 -0.09 0.00 -0.03 0.00 0.00 54.58 53.61 2gpl n ASN 168 Cb 0.53 -3.24 0.02 0.00 -0.61 0.00 0.00 39.78 36.47 2gpl n ASN 168 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2gpl h THR 169 N -1.79 1.26 0.00 3.41 1.35 -1.93 -1.75 112.91 113.46 2gpl h THR 169 Ca -0.60 -0.98 0.03 0.00 -0.55 0.00 0.00 66.41 64.31 2gpl h THR 169 Cb 1.38 0.81 -0.05 0.00 -1.73 0.00 0.00 68.15 68.56 2gpl h THR 169 CO 0.69 0.35 -0.28 -1.28 -0.25 0.00 0.00 175.52 174.75 2gpl h SER 170 N 0.81 -0.83 -0.36 5.36 0.87 -1.93 0.70 113.55 118.17 2gpl h SER 170 Ca 0.17 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.88 2gpl h SER 170 Cb 0.42 0.34 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 2gpl h SER 170 CO 0.01 -0.35 0.14 0.00 -0.53 0.00 0.00 176.83 176.10 2gpl h ALA 171 N 0.37 0.43 -0.47 6.23 0.00 -1.93 -2.05 119.26 121.83 2gpl h ALA 171 Ca 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2gpl h ALA 171 Cb 0.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2gpl h ALA 171 CO -0.24 -0.25 0.09 0.00 0.00 0.00 0.00 179.25 178.84 2gpl h ALA 172 N 1.23 0.62 -0.71 0.00 0.00 -0.76 -2.30 119.26 117.34 2gpl h ALA 172 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gpl h ALA 172 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2gpl h ALA 172 CO -0.16 0.34 0.44 0.37 0.00 0.00 0.00 179.25 180.24 2gpl h GLN 173 N 0.65 0.96 -0.24 0.00 5.75 0.61 -1.47 115.11 121.37 2gpl h GLN 173 Ca 0.14 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2gpl h GLN 173 Cb 0.37 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2gpl h GLN 173 CO 0.01 0.67 0.13 1.15 -2.65 0.00 0.00 178.83 178.14 2gpl h THR 174 N 0.97 1.13 -0.74 2.39 2.02 -1.25 0.45 112.91 117.88 2gpl h THR 174 Ca 0.26 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 67.12 2gpl h THR 174 Cb -0.05 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2gpl h THR 174 CO -0.05 0.12 0.49 -0.07 0.37 0.00 0.00 175.52 176.38 2gpl h LEU 175 N 0.27 0.78 -0.06 2.58 3.38 -1.06 -1.89 115.31 119.32 2gpl h LEU 175 Ca 0.08 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2gpl h LEU 175 Cb 0.08 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.66 2gpl h LEU 175 CO -0.01 0.55 -0.41 -0.07 0.09 0.00 0.00 178.44 178.58 2gpl h LEU 176 N 0.91 0.47 -0.73 1.67 3.38 -0.99 -2.87 115.31 117.15 2gpl h LEU 176 Ca 0.29 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2gpl h LEU 176 Cb 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2gpl h LEU 176 CO -0.08 1.07 0.00 1.67 0.09 0.00 0.00 178.44 181.19 2gpl n GLN 177 N -4.35 0.10 -0.04 1.13 7.27 0.12 -1.31 117.38 120.30 2gpl n GLN 177 Ca -0.09 0.51 -0.21 0.00 0.07 0.00 0.00 57.00 57.28 2gpl n GLN 177 Cb 0.56 -1.77 -0.13 0.00 2.41 0.00 0.00 30.24 31.31 2gpl n GLN 177 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 2gpl n MET 178 N -1.96 0.71 -0.17 3.69 1.56 -0.74 -4.55 117.12 115.65 2gpl n MET 178 Ca 0.00 0.30 0.06 0.00 -0.27 0.00 0.00 57.70 57.79 2gpl n MET 178 Cb 0.08 -1.68 0.16 0.00 2.15 0.00 0.00 33.22 33.93 2gpl n MET 178 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2gpl n ASP 179 N -3.64 2.92 -4.79 6.12 8.00 -1.06 -5.01 116.55 119.09 2gpl n ASP 179 Ca -0.35 -1.94 -0.38 0.00 0.71 0.00 0.00 54.79 52.82 2gpl n ASP 179 Cb 0.98 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.79 2gpl n ASP 179 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2gpl s TYR 180 N -1.00 3.83 -0.02 1.24 5.04 -0.43 -5.07 117.35 120.94 2gpl s TYR 180 Ca 0.25 1.52 -0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2gpl s TYR 180 Cb 0.13 -2.69 0.02 0.00 0.35 0.00 0.00 41.96 39.78 2gpl s TYR 180 CO 0.17 0.49 0.03 -1.59 -1.34 0.00 0.00 175.55 173.31 2gpl s LYS 181 N -1.34 -0.01 0.45 4.97 -2.85 -1.26 -5.01 119.74 114.68 2gpl s LYS 181 Ca 0.36 0.15 0.25 0.00 -1.00 0.00 0.00 55.97 55.73 2gpl s LYS 181 Cb -0.21 -0.17 1.27 0.00 -2.06 0.00 0.00 37.83 36.67 2gpl s LYS 181 CO 0.24 -0.12 1.78 -0.44 0.10 0.00 0.00 175.35 176.91 2gpl h ASP 182 N 6.93 0.28 -0.08 0.03 3.45 -1.97 0.13 116.42 125.20 2gpl h ASP 182 Ca -0.39 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.13 2gpl h ASP 182 Cb 1.15 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 2gpl h ASP 182 CO 0.48 0.04 0.00 -0.90 -1.57 0.00 0.00 179.24 177.29 2gpl n ASP 183 N -4.48 0.62 -4.20 6.45 5.68 -1.26 -4.60 116.55 114.75 2gpl n ASP 183 Ca 0.26 -1.66 -0.34 0.00 -0.50 0.00 0.00 54.79 52.55 2gpl n ASP 183 Cb 1.02 -0.05 0.12 0.00 -1.14 0.00 0.00 41.12 41.07 2gpl n ASP 183 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2gpl n MET 184 N -0.32 -0.84 -4.16 0.11 2.81 0.47 -4.84 117.12 110.35 2gpl n MET 184 Ca 0.12 -0.23 -0.17 0.00 -1.81 0.00 0.00 57.70 55.61 2gpl n MET 184 Cb 0.14 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.05 2gpl n MET 184 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2gpl s LYS 185 N -2.98 0.80 0.30 0.03 2.36 -1.26 -3.14 119.74 115.84 2gpl s LYS 185 Ca 0.50 -0.99 0.02 0.00 -2.55 0.00 0.00 55.97 52.95 2gpl s LYS 185 Cb -0.08 -0.69 0.75 0.00 -1.05 0.00 0.00 37.83 36.75 2gpl s LYS 185 CO 0.68 0.14 1.61 0.28 1.55 0.00 0.00 175.35 179.61 2gpl h VAL 186 N 4.11 0.17 -0.15 4.02 2.07 -1.88 0.47 116.25 125.05 2gpl h VAL 186 Ca -0.39 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 2gpl h VAL 186 Cb 1.19 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2gpl h VAL 186 CO 0.44 0.02 -0.24 0.44 0.02 0.00 0.00 177.57 178.24 2gpl h ASP 187 N 0.10 0.27 -0.15 0.57 5.19 -1.98 1.00 116.42 121.42 2gpl h ASP 187 Ca 0.58 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.86 2gpl h ASP 187 Cb 1.20 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 2gpl h ASP 187 CO -0.78 0.52 -0.09 0.44 -3.12 0.00 0.00 179.24 176.21 2gpl h ASP 188 N 0.25 0.34 -0.29 6.45 3.45 -0.58 -2.78 116.42 123.25 2gpl h ASP 188 Ca 0.04 -0.44 0.02 0.00 0.43 0.00 0.00 57.03 57.09 2gpl h ASP 188 Cb 0.57 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.22 2gpl h ASP 188 CO 0.04 0.70 0.12 0.00 -1.57 0.00 0.00 179.24 178.54 2gpl h ALA 189 N 0.65 0.34 -0.33 3.45 0.00 -0.52 -0.49 119.26 122.36 2gpl h ALA 189 Ca 0.03 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2gpl h ALA 189 Cb 0.59 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 2gpl h ALA 189 CO 0.03 -0.27 -0.18 0.82 0.00 0.00 0.00 179.25 179.65 2gpl h ILE 190 N 0.27 0.47 -0.81 0.00 2.04 -0.80 -0.04 117.51 118.66 2gpl h ILE 190 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 2gpl h ILE 190 Cb 0.07 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 2gpl h ILE 190 CO -0.10 0.00 0.45 -0.08 0.00 0.00 0.00 178.15 178.42 2gpl h GLU 191 N -0.13 1.12 -0.68 2.37 4.81 -1.16 -2.14 114.58 118.77 2gpl h GLU 191 Ca 0.17 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2gpl h GLU 191 Cb 0.39 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2gpl h GLU 191 CO -0.41 0.81 0.26 1.25 -0.73 0.00 0.00 179.01 180.19 2gpl h LEU 192 N 1.11 0.94 -0.10 1.64 6.46 -0.20 -1.65 115.31 123.52 2gpl h LEU 192 Ca 0.29 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 2gpl h LEU 192 Cb 0.01 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.69 2gpl h LEU 192 CO -0.05 0.86 0.05 0.00 -0.62 0.00 0.00 178.44 178.69 2gpl h ALA 193 N 1.12 0.12 -0.94 1.25 0.00 -0.68 -0.72 119.26 119.41 2gpl h ALA 193 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2gpl h ALA 193 Cb 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2gpl h ALA 193 CO -0.02 -0.40 0.59 -0.07 0.00 0.00 0.00 179.25 179.35 2gpl h LEU 194 N 0.11 1.10 -0.21 0.00 3.38 -1.19 -2.01 115.31 116.50 2gpl h LEU 194 Ca 0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2gpl h LEU 194 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2gpl h LEU 194 CO -0.03 0.83 0.07 0.11 0.09 0.00 0.00 178.44 179.51 2gpl h LYS 195 N 1.28 0.32 -0.04 1.13 1.79 -0.95 0.11 116.57 120.21 2gpl h LYS 195 Ca 0.34 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.76 2gpl h LYS 195 Cb -0.10 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 2gpl h LYS 195 CO -0.07 0.40 -0.07 1.15 -1.08 0.00 0.00 179.45 179.79 2gpl h THR 196 N 0.17 0.82 -0.47 -0.16 2.02 -0.89 -0.56 112.91 113.84 2gpl h THR 196 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 2gpl h THR 196 Cb 0.21 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2gpl h THR 196 CO -0.00 0.00 0.28 -0.07 0.37 0.00 0.00 175.52 176.09 2gpl h LEU 197 N -0.10 0.56 -1.17 2.58 3.38 -1.34 -1.75 115.31 117.48 2gpl h LEU 197 Ca 0.04 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.14 2gpl h LEU 197 Cb 0.15 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 2gpl h LEU 197 CO -0.10 0.46 0.61 -1.28 0.09 0.00 0.00 178.44 178.23 2gpl h SER 198 N 0.62 0.67 0.74 -0.43 0.87 -0.39 0.12 113.55 115.74 2gpl h SER 198 Ca 0.17 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2gpl h SER 198 Cb 0.01 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2gpl h SER 198 CO -0.03 0.25 -0.57 0.29 -0.53 0.00 0.00 176.83 176.24 2gpl n LYS 199 N -4.67 0.19 -0.00 2.24 5.02 -0.27 -4.13 118.16 116.53 2gpl n LYS 199 Ca 0.22 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.63 2gpl n LYS 199 Cb 0.61 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 2gpl n LYS 199 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gpl n THR 200 N -1.88 0.00 -1.50 -0.18 -2.24 -0.37 -5.01 114.28 103.10 2gpl n THR 200 Ca 0.04 -0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.28 2gpl n THR 200 Cb 0.40 0.96 0.07 0.00 -2.10 0.00 0.00 70.33 69.66 2gpl n THR 200 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2gpl n THR 202 N -1.36 3.28 0.88 4.28 -1.04 0.26 -4.89 114.28 115.69 2gpl n THR 202 Ca 0.02 -0.45 0.10 0.00 -2.04 0.00 0.00 64.05 61.69 2gpl n THR 202 Cb 0.23 -1.09 0.04 0.00 -1.82 0.00 0.00 70.33 67.68 2gpl n THR 202 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2gpl n ASP 203 N -1.08 2.28 -4.96 8.00 8.00 -1.26 -4.96 116.55 122.58 2gpl n ASP 203 Ca 0.13 -1.64 -0.23 0.00 0.71 0.00 0.00 54.79 53.76 2gpl n ASP 203 Cb 0.48 0.25 0.04 0.00 -0.02 0.00 0.00 41.12 41.87 2gpl n ASP 203 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2gpl s SER 204 N -2.00 5.30 0.00 -2.24 0.01 -1.26 -5.06 113.70 108.44 2gpl s SER 204 Ca 0.20 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2gpl s SER 204 Cb 0.17 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2gpl s SER 204 CO 0.39 -1.16 0.33 -1.20 0.41 0.00 0.00 173.24 172.01 2gpl n SER 20 N -2.44 0.00 -2.87 2.44 7.64 -1.26 -4.88 113.62 112.25 2gpl n SER 20 Ca 0.07 0.33 -0.07 0.00 1.01 0.00 0.00 58.87 60.21 2gpl n SER 20 Cb 0.59 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 2gpl n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gpl n ALA 20 N -1.42 0.30 -3.84 -0.43 0.00 -1.26 -5.08 120.51 108.78 2gpl n ALA 20 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 2gpl n ALA 20 Cb 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 19.45 19.55 2gpl n ALA 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2gpl s LEU 205 N 0.00 3.90 0.49 0.00 2.96 -1.26 -5.02 118.68 119.74 2gpl s LEU 205 Ca 0.13 -3.17 -0.04 0.00 -0.22 0.00 0.00 54.13 50.83 2gpl s LEU 205 Cb -0.01 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 2gpl s LEU 205 CO 0.08 -0.19 0.77 0.42 -1.32 0.00 0.00 176.35 176.11 2gpl s THR 206 N -0.46 4.52 0.23 3.68 -4.23 -1.26 -5.00 115.64 113.12 2gpl s THR 206 Ca 0.20 -0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 60.63 2gpl s THR 206 Cb -0.17 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.16 2gpl s THR 206 CO -0.06 -0.66 1.87 0.10 -0.54 0.00 0.00 174.62 175.33 2gpl h TYR 207 N 0.22 1.22 0.00 3.99 -0.00 -1.91 -2.19 116.97 118.30 2gpl h TYR 207 Ca -0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 2gpl h TYR 207 Cb 1.22 -0.40 0.00 0.00 -0.00 0.00 0.00 36.73 37.56 2gpl h TYR 207 CO 0.53 0.83 0.01 -0.40 -0.00 0.00 0.00 178.16 179.13 2gpl n ASP 208 N -4.36 0.00 -0.26 0.10 5.75 -1.26 -0.66 116.55 115.86 2gpl n ASP 208 Ca 0.10 0.18 0.06 0.00 -0.01 0.00 0.00 54.79 55.12 2gpl n ASP 208 Cb 0.08 -0.18 0.12 0.00 -1.03 0.00 0.00 41.12 40.11 2gpl n ASP 208 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2gpl n ARG 209 N -1.16 2.23 -4.22 0.11 1.74 -0.82 -4.96 116.66 109.59 2gpl n ARG 209 Ca 0.00 -2.27 -0.16 0.00 -0.77 0.00 0.00 57.85 54.65 2gpl n ARG 209 Cb 0.01 -1.40 -0.11 0.00 -1.02 0.00 0.00 32.46 29.95 2gpl n ARG 209 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2gpl s LEU 210 N -2.14 2.42 -0.04 0.55 1.43 0.17 -0.81 118.68 120.25 2gpl s LEU 210 Ca 0.24 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 2gpl s LEU 210 Cb 0.20 -0.42 0.01 0.00 0.03 0.00 0.00 46.19 46.00 2gpl s LEU 210 CO 0.05 -0.22 -0.10 -1.61 0.23 0.00 0.00 176.35 174.70 2gpl s GLU 211 N -2.87 1.19 -0.01 1.70 2.02 -0.65 -4.90 118.70 115.19 2gpl s GLU 211 Ca 0.08 -0.34 0.02 0.00 0.02 0.00 0.00 54.97 54.75 2gpl s GLU 211 Cb -0.03 -1.07 -0.00 0.00 0.10 0.00 0.00 34.13 33.13 2gpl s GLU 211 CO 0.01 0.09 -0.05 0.12 0.02 0.00 0.00 175.26 175.45 2gpl s PHE 212 N 0.36 0.49 -0.01 1.61 5.36 -1.26 -1.74 117.98 122.78 2gpl s PHE 212 Ca -0.07 -0.09 -0.12 0.00 -0.96 0.00 0.00 56.93 55.69 2gpl s PHE 212 Cb -0.11 -0.32 0.02 0.00 -0.34 0.00 0.00 43.02 42.26 2gpl s PHE 212 CO 0.01 -0.01 0.25 0.00 -1.46 0.00 0.00 175.22 174.01 2gpl s ALA 213 N -0.10 -0.62 -0.02 11.12 0.00 -0.08 0.07 121.76 132.13 2gpl s ALA 213 Ca 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 2gpl s ALA 213 Cb -0.02 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2gpl s ALA 213 CO -0.00 -0.24 0.05 0.95 0.00 0.00 0.00 175.76 176.52 2gpl s THR 214 N -1.30 -0.01 -0.41 0.00 -4.23 -0.40 -0.62 115.64 108.68 2gpl s THR 214 Ca -0.14 0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.37 2gpl s THR 214 Cb -0.06 -0.09 0.09 0.00 1.34 0.00 0.00 72.50 73.79 2gpl s THR 214 CO 0.03 0.02 0.21 -0.63 -0.54 0.00 0.00 174.62 173.71 2gpl s ILE 215 N 0.27 3.68 0.31 2.99 1.09 -0.63 -0.67 121.20 128.24 2gpl s ILE 215 Ca -0.02 -1.71 0.10 0.00 -1.10 0.00 0.00 60.65 57.92 2gpl s ILE 215 Cb -0.03 -3.36 -0.05 0.00 -1.06 0.00 0.00 42.46 37.96 2gpl s ILE 215 CO -0.01 -0.56 -0.06 -0.13 -0.10 0.00 0.00 174.94 174.08 2gpl s ARG 216 N 1.28 1.99 -0.70 2.79 0.52 -0.56 -1.44 118.95 122.83 2gpl s ARG 216 Ca 0.04 -1.70 0.03 0.00 -0.52 0.00 0.00 55.73 53.59 2gpl s ARG 216 Cb -0.23 -1.91 0.33 0.00 0.52 0.00 0.00 34.95 33.66 2gpl s ARG 216 CO -0.01 0.24 1.17 1.17 0.02 0.00 0.00 175.30 177.89 2gpl n LYS 21 N -0.83 3.79 0.00 3.54 4.81 -1.26 0.58 118.16 128.79 2gpl n LYS 21 Ca -0.05 -4.81 0.00 0.00 -0.87 0.00 0.00 58.31 52.58 2gpl n LYS 21 Cb 0.61 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.36 2gpl n LYS 21 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gpl n GLY 21 N -0.14 0.00 0.35 3.14 0.00 -1.24 -4.64 105.19 102.66 2gpl n GLY 21 Ca 0.35 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.51 2gpl n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gpl h ALA 217 N 0.00 1.66 -1.10 4.61 0.00 -1.96 -3.01 119.26 119.46 2gpl h ALA 217 Ca 0.00 0.09 -0.74 0.00 0.00 0.00 0.00 54.91 54.27 2gpl h ALA 217 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.60 2gpl h ALA 217 CO 0.00 -0.12 1.92 -1.71 0.00 0.00 0.00 179.25 179.34 2gpl n ASN 218 N -4.82 4.99 0.00 0.00 4.05 -1.26 -4.09 115.26 114.14 2gpl n ASN 218 Ca 0.24 -3.01 0.00 0.00 0.45 0.00 0.00 54.58 52.26 2gpl n ASN 218 Cb 0.61 -1.56 0.00 0.00 1.23 0.00 0.00 39.78 40.06 2gpl n ASN 218 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2gpl n ASP 21 N 5.27 0.00 0.00 1.20 2.03 -1.15 -5.00 116.55 118.90 2gpl n ASP 21 Ca 0.41 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2gpl n ASP 21 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 2gpl n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gpl n GLY 21 N 0.00 0.82 3.53 0.27 0.00 -1.15 -5.09 105.19 103.57 2gpl n GLY 21 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2gpl n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gpl s GLU 219 N -0.95 1.80 -0.03 1.61 2.12 -1.26 -5.07 118.70 116.91 2gpl s GLU 219 Ca 0.00 -2.00 -0.18 0.00 0.36 0.00 0.00 54.97 53.14 2gpl s GLU 219 Cb 0.00 -1.27 -0.05 0.00 0.26 0.00 0.00 34.13 33.07 2gpl s GLU 219 CO 0.00 -0.10 0.51 0.08 -0.54 0.00 0.00 175.26 175.21 2gpl s VAL 21 N -2.98 5.00 -0.08 3.70 1.01 -1.26 -3.67 120.40 122.12 2gpl s VAL 21 Ca 0.35 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.41 2gpl s VAL 21 Cb 0.09 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2gpl s VAL 21 CO 0.17 0.44 -0.11 -0.47 0.00 0.00 0.00 175.10 175.13 2gpl s TYR 220 N -0.22 1.48 0.07 5.22 6.14 0.20 -4.96 117.35 125.27 2gpl s TYR 220 Ca 0.28 -0.63 -0.14 0.00 0.64 0.00 0.00 57.07 57.22 2gpl s TYR 220 Cb -0.17 -1.14 -0.06 0.00 0.42 0.00 0.00 41.96 41.01 2gpl s TYR 220 CO 0.14 -0.37 0.46 -0.65 0.64 0.00 0.00 175.55 175.77 2gpl s GLN 221 N 1.05 3.92 -0.16 4.97 -0.21 -1.26 -1.49 119.66 126.47 2gpl s GLN 221 Ca -0.07 0.40 -0.04 0.00 0.02 0.00 0.00 55.36 55.67 2gpl s GLN 221 Cb -0.15 -3.09 0.06 0.00 1.00 0.00 0.00 33.01 30.83 2gpl s GLN 221 CO -0.01 0.60 0.06 0.21 -2.12 0.00 0.00 175.29 174.03 2gpl s LYS 222 N -1.54 0.30 -0.49 2.91 2.20 0.15 -4.98 119.74 118.30 2gpl s LYS 222 Ca 0.30 -0.16 -0.17 0.00 -0.36 0.00 0.00 55.97 55.59 2gpl s LYS 222 Cb -0.16 -1.79 0.07 0.00 -1.51 0.00 0.00 37.83 34.45 2gpl s LYS 222 CO 0.17 -0.61 0.48 0.42 -0.36 0.00 0.00 175.35 175.44 2gpl s ILE 223 N 2.03 5.12 0.28 5.43 1.01 -1.26 -1.27 121.20 132.53 2gpl s ILE 223 Ca 0.01 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 2gpl s ILE 223 Cb -0.16 -4.20 -0.14 0.00 0.01 0.00 0.00 42.46 37.97 2gpl s ILE 223 CO -0.08 -0.68 1.16 0.49 0.00 0.00 0.00 174.94 175.83 2gpl n PHE 224 N 5.50 1.66 -2.57 3.97 0.99 0.11 -4.99 117.46 122.13 2gpl n PHE 224 Ca -0.11 0.62 -0.27 0.00 -0.00 0.00 0.00 57.45 57.69 2gpl n PHE 224 Cb 0.44 -2.33 0.00 0.00 -1.00 0.00 0.00 39.48 36.59 2gpl n PHE 224 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2gpl s LYS 225 N -1.29 3.48 0.21 -1.08 1.02 -1.26 -4.59 119.74 116.23 2gpl s LYS 225 Ca 0.61 0.20 -0.18 0.00 0.02 0.00 0.00 55.97 56.63 2gpl s LYS 225 Cb -0.68 -2.35 0.21 0.00 -0.52 0.00 0.00 37.83 34.49 2gpl s LYS 225 CO 0.58 -0.27 1.58 -1.35 -0.92 0.00 0.00 175.35 174.96 2gpl h PRO 226 N 0.16 -0.08 -0.71 -1.68 0.11 -1.94 0.19 132.00 128.04 2gpl h PRO 226 Ca -0.47 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.67 2gpl h PRO 226 Cb 1.21 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 2gpl h PRO 226 CO 0.62 -0.05 0.45 0.37 -0.21 0.00 0.00 178.00 179.18 2gpl h GLN 227 N -0.08 0.87 -0.81 1.05 5.75 -1.99 -0.37 115.11 119.53 2gpl h GLN 227 Ca 0.30 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.77 2gpl h GLN 227 Cb 0.57 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 2gpl h GLN 227 CO -0.80 0.57 0.54 0.93 -2.65 0.00 0.00 178.83 177.42 2gpl h GLU 228 N 0.90 1.03 -0.24 1.69 5.08 -1.38 0.10 114.58 121.76 2gpl h GLU 228 Ca 0.28 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.39 2gpl h GLU 228 Cb -0.01 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2gpl h GLU 228 CO -0.10 0.68 -0.61 0.82 -1.00 0.00 0.00 179.01 178.80 2gpl h ILE 229 N 1.06 1.29 -0.54 3.13 2.04 -0.51 -2.47 117.51 121.51 2gpl h ILE 229 Ca 0.31 -1.81 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 2gpl h ILE 229 Cb -0.05 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2gpl h ILE 229 CO -0.08 0.58 0.31 0.50 0.00 0.00 0.00 178.15 179.47 2gpl h LYS 230 N 0.59 0.75 0.78 2.37 3.64 -0.10 -1.26 116.57 123.35 2gpl h LYS 230 Ca -0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2gpl h LYS 230 Cb 1.21 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2gpl h LYS 230 CO 0.13 0.56 -0.38 -0.44 -2.27 0.00 0.00 179.45 177.05 2gpl h ASP 231 N 0.73 -0.89 -0.02 4.20 3.45 -0.79 -2.64 116.42 120.45 2gpl h ASP 231 Ca 0.19 0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.69 2gpl h ASP 231 Cb 0.02 0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.02 2gpl h ASP 231 CO -0.03 -0.63 0.15 -0.29 -1.57 0.00 0.00 179.24 176.87 2gpl h ILE 232 N -1.08 0.06 -0.01 0.35 2.10 -1.43 0.24 117.51 117.74 2gpl h ILE 232 Ca -0.11 0.00 -0.19 0.00 1.08 0.00 0.00 64.86 65.64 2gpl h ILE 232 Cb 0.81 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.38 2gpl h ILE 232 CO 0.18 0.00 -0.85 0.25 -1.08 0.00 0.00 178.15 176.65 2gpl h LEU 233 N 0.00 0.30 0.08 2.19 5.85 -0.95 -2.64 115.31 120.14 2gpl h LEU 233 Ca 0.01 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2gpl h LEU 233 Cb 0.31 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2gpl h LEU 233 CO -0.00 1.01 -0.04 0.58 -0.34 0.00 0.00 178.44 179.66 2gpl h VAL 234 N 0.14 1.19 -0.16 1.05 2.07 -0.21 0.34 116.25 120.67 2gpl h VAL 234 Ca -0.04 -1.35 0.05 0.00 0.82 0.00 0.00 66.70 66.18 2gpl h VAL 234 Cb 1.46 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.18 2gpl h VAL 234 CO 0.13 0.31 -0.15 0.11 0.02 0.00 0.00 177.57 177.99 2gpl h LYS 235 N -0.76 -0.17 -0.01 1.57 1.79 -1.46 0.25 116.57 117.78 2gpl h LYS 235 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2gpl h LYS 235 Cb 0.59 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2gpl h LYS 235 CO 0.02 -0.11 0.00 0.25 -1.08 0.00 0.00 179.45 178.52 2gpl n THR 236 N -5.30 0.00 -3.16 -0.16 -2.24 -0.99 -4.79 114.28 97.63 2gpl n THR 236 Ca -0.02 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.58 2gpl n THR 236 Cb 0.22 -0.35 0.05 0.00 -2.10 0.00 0.00 70.33 68.15 2gpl n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gpl n GLY 237 N -0.20 -0.19 0.00 3.38 0.00 0.86 -4.88 105.19 104.16 2gpl n GLY 237 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.04 2gpl n GLY 237 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gpl n ILE 238 N -4.33 0.00 -0.14 -0.61 2.08 -0.02 -5.03 119.36 111.31 2gpl n ILE 238 Ca -0.02 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 63.01 2gpl n ILE 238 Cb 0.56 0.78 0.00 0.00 -0.75 0.00 0.00 39.64 40.23 2gpl n ILE 238 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52