#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw s ARG 10 N 0.00 0.47 0.55 -0.67 3.52 -1.26 -5.15 118.95 116.41 3gpw s ARG 10 Ca 0.00 0.47 -0.21 0.00 -0.13 0.00 0.00 55.73 55.87 3gpw s ARG 10 Cb 0.00 0.23 -0.06 0.00 -1.56 0.00 0.00 34.95 33.56 3gpw s ARG 10 CO 0.00 -0.07 1.07 0.41 -0.81 0.00 0.00 175.30 175.90 3gpw n GLY 11 N 2.73 -0.03 0.04 8.12 0.00 -1.26 -4.89 105.19 109.90 3gpw n GLY 11 Ca -0.14 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3gpw n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gpw n VAL 12 N -1.28 0.50 -2.31 1.61 0.24 -1.26 -3.23 118.33 112.59 3gpw n VAL 12 Ca 0.12 0.03 -0.23 0.00 -2.04 0.00 0.00 64.34 62.22 3gpw n VAL 12 Cb 0.45 -0.74 0.01 0.00 -1.47 0.00 0.00 33.84 32.09 3gpw n VAL 12 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gpw n SER 13 N -1.77 4.42 -4.87 -1.34 3.41 -1.26 -4.43 113.62 107.78 3gpw n SER 13 Ca 0.05 -3.57 -0.33 0.00 -0.26 0.00 0.00 58.87 54.76 3gpw n SER 13 Cb 0.30 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 3gpw n SER 13 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gpw s THR 14 N -4.87 5.01 0.02 6.66 2.01 -1.20 -5.04 115.64 118.24 3gpw s THR 14 Ca 0.47 0.42 -0.13 0.00 0.31 0.00 0.00 61.69 62.76 3gpw s THR 14 Cb 0.40 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 3gpw s THR 14 CO -0.06 0.10 0.40 -0.36 -0.69 0.00 0.00 174.62 174.01 3gpw s PHE 15 N -1.62 3.69 0.74 4.92 0.08 -1.26 -3.10 117.98 121.42 3gpw s PHE 15 Ca 0.41 0.94 -0.12 0.00 0.12 0.00 0.00 56.93 58.28 3gpw s PHE 15 Cb -0.13 -2.25 0.03 0.00 -0.57 0.00 0.00 43.02 40.10 3gpw s PHE 15 CO 0.21 0.61 1.11 -1.54 -0.10 0.00 0.00 175.22 175.51 3gpw s SER 16 N -1.26 5.15 0.18 1.36 1.04 0.28 -4.90 113.70 115.56 3gpw s SER 16 Ca 0.26 1.10 0.15 0.00 0.48 0.00 0.00 55.95 57.95 3gpw s SER 16 Cb -0.16 -1.84 0.75 0.00 0.10 0.00 0.00 66.02 64.86 3gpw s SER 16 CO 0.14 -1.53 1.47 -2.65 0.98 0.00 0.00 173.24 171.66 3gpw n PRO 17 N -3.12 0.10 0.00 4.02 -0.02 -1.26 -1.40 135.00 133.31 3gpw n PRO 17 Ca 0.07 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 3gpw n PRO 17 Cb 0.58 -1.76 0.35 0.00 -0.02 0.00 0.00 33.50 32.65 3gpw n PRO 17 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gpw n GLU 18 N -1.95 0.99 -1.01 -0.52 4.71 -1.26 -4.95 120.64 116.65 3gpw n GLU 18 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 57.16 56.53 3gpw n GLU 18 Cb 0.08 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 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 1.33 1.17 3.32 0.62 0.00 -0.49 -5.09 105.19 106.04 3gpw n GLY 19 Ca 0.13 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.44 1.25 -0.41 1.61 0.52 -1.26 -4.89 118.95 113.33 3gpw s ARG 20 Ca 0.00 -1.41 -0.19 0.00 -0.52 0.00 0.00 55.73 53.61 3gpw s ARG 20 Cb 0.00 -1.25 0.02 0.00 0.52 0.00 0.00 34.95 34.24 3gpw s ARG 20 CO 0.00 0.25 0.57 -0.51 0.02 0.00 0.00 175.30 175.63 3gpw s LEU 21 N -2.72 4.53 0.11 2.53 1.43 -1.26 0.10 118.68 123.41 3gpw s LEU 21 Ca 0.16 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 3gpw s LEU 21 Cb -0.05 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 3gpw s LEU 21 CO 0.06 -0.67 1.32 0.49 0.23 0.00 0.00 176.35 177.79 3gpw n PHE 22 N 6.01 -0.31 -0.25 0.29 3.01 -1.18 -0.70 117.46 124.32 3gpw n PHE 22 Ca -0.03 0.89 0.18 0.00 1.01 0.00 0.00 57.45 59.50 3gpw n PHE 22 Cb 0.48 -0.55 0.48 0.00 -0.01 0.00 0.00 39.48 39.88 3gpw n PHE 22 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3gpw h GLN 23 N 0.00 0.46 -0.19 -1.08 1.08 -1.86 0.16 115.11 113.69 3gpw h GLN 23 Ca 0.11 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 3gpw h GLN 23 Cb 0.29 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3gpw h GLN 23 CO -0.67 0.30 -0.25 0.28 -0.95 0.00 0.00 178.83 177.53 3gpw h VAL 24 N 0.47 1.34 0.12 -0.54 2.07 -1.25 -1.41 116.25 117.05 3gpw h VAL 24 Ca 0.47 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3gpw h VAL 24 Cb 1.09 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3gpw h VAL 24 CO -0.20 0.44 -0.06 -0.33 0.02 0.00 0.00 177.57 177.45 3gpw h GLU 25 N 0.16 -0.16 -0.08 1.57 4.39 -0.19 -1.47 114.58 118.80 3gpw h GLU 25 Ca 0.02 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.76 3gpw h GLU 25 Cb 0.82 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3gpw h GLU 25 CO 0.06 -0.03 0.07 1.88 -1.16 0.00 0.00 179.01 179.83 3gpw h TYR 26 N -0.25 0.00 -0.26 4.33 0.05 -0.78 -0.71 116.97 119.35 3gpw h TYR 26 Ca -0.02 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 3gpw h TYR 26 Cb 0.20 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3gpw h TYR 26 CO -0.04 0.00 0.01 1.03 -1.05 0.00 0.00 178.16 178.11 3gpw h SER 27 N 0.00 0.44 -0.31 3.88 0.87 -0.41 -2.66 113.55 115.36 3gpw h SER 27 Ca 0.04 -0.29 0.09 0.00 -1.23 0.00 0.00 61.79 60.39 3gpw h SER 27 Cb 0.18 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3gpw h SER 27 CO -0.00 0.62 0.24 -0.07 -0.53 0.00 0.00 176.83 177.10 3gpw h LEU 28 N 0.24 0.00 -0.37 2.23 4.07 -0.14 -1.71 115.31 119.62 3gpw h LEU 28 Ca 0.07 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.90 3gpw h LEU 28 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 3gpw h LEU 28 CO 0.01 0.00 -0.28 -0.33 -1.08 0.00 0.00 178.44 176.76 3gpw h GLU 29 N 0.00 0.84 -0.25 1.13 4.39 -1.25 -2.49 114.58 116.95 3gpw h GLU 29 Ca 0.15 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 3gpw h GLU 29 Cb 0.63 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 3gpw h GLU 29 CO -0.00 1.05 -0.02 0.00 -1.16 0.00 0.00 179.01 178.88 3gpw h ALA 30 N 0.77 1.49 -0.46 3.43 0.00 -1.27 -2.05 119.26 121.18 3gpw h ALA 30 Ca 0.07 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3gpw h ALA 30 Cb 0.86 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3gpw h ALA 30 CO 0.07 0.37 -0.03 0.82 0.00 0.00 0.00 179.25 180.48 3gpw h ILE 31 N 0.37 1.24 0.00 0.00 2.04 -1.22 -2.32 117.51 117.62 3gpw h ILE 31 Ca 0.08 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 3gpw h ILE 31 Cb 0.29 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3gpw h ILE 31 CO 0.01 0.36 -0.07 0.11 0.00 0.00 0.00 178.15 178.56 3gpw h LYS 32 N 0.72 0.00 -0.00 2.37 1.57 -0.92 -1.64 116.57 118.67 3gpw h LYS 32 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3gpw h LYS 32 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3gpw h LYS 32 CO 0.02 0.07 -0.09 1.28 -0.57 0.00 0.00 179.45 180.16 3gpw n LEU 33 N -4.03 0.46 -4.91 2.94 4.77 -0.88 -2.19 117.00 113.17 3gpw n LEU 33 Ca -0.03 -0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 3gpw n LEU 33 Cb 0.16 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3gpw n LEU 33 CO 0.31 0.08 0.61 -0.83 -1.33 0.00 0.00 177.39 176.24 3gpw s GLY 34 N -2.43 1.62 0.65 -0.72 0.00 -0.62 -4.78 107.32 101.05 3gpw s GLY 34 Ca 0.31 -0.62 -0.18 0.00 0.00 0.00 0.00 44.72 44.23 3gpw s GLY 34 CO 0.46 -0.29 1.29 -0.56 0.00 0.00 0.00 173.10 174.00 3gpw s SER 35 N -4.35 4.58 0.35 1.64 0.01 -1.26 -0.51 113.70 114.17 3gpw s SER 35 Ca 0.56 2.62 -0.27 0.00 1.31 0.00 0.00 55.95 60.17 3gpw s SER 35 Cb -0.11 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 3gpw s SER 35 CO 0.47 -2.02 1.15 -0.89 0.41 0.00 0.00 173.24 172.36 3gpw s THR 36 N -1.41 3.27 -0.01 1.44 2.01 -1.26 -4.45 115.64 115.23 3gpw s THR 36 Ca 0.83 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.98 3gpw s THR 36 Cb -0.37 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.46 3gpw s THR 36 CO 0.40 0.18 -0.02 0.00 -0.69 0.00 0.00 174.62 174.48 3gpw s ALA 37 N -1.33 0.25 0.02 7.40 0.00 0.39 -1.16 121.76 127.33 3gpw s ALA 37 Ca 0.52 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.45 3gpw s ALA 37 Cb -0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3gpw s ALA 37 CO 0.40 0.03 -0.07 0.42 0.00 0.00 0.00 175.76 176.54 3gpw s ILE 38 N 0.19 0.55 -0.03 0.00 1.01 0.85 -1.00 121.20 122.76 3gpw s ILE 38 Ca -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3gpw s ILE 38 Cb -0.04 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 41.92 3gpw s ILE 38 CO -0.00 -0.06 -0.06 -0.83 0.00 0.00 0.00 174.94 173.99 3gpw s GLY 39 N -0.74 0.41 -0.08 6.18 0.00 0.22 -0.30 107.32 113.01 3gpw s GLY 39 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.58 3gpw s GLY 39 CO 0.00 0.16 -0.15 -0.42 0.00 0.00 0.00 173.10 172.70 3gpw s ILE 40 N 0.49 1.39 -0.23 0.90 -1.09 0.04 -0.84 121.20 121.85 3gpw s ILE 40 Ca -0.06 -0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 57.70 3gpw s ILE 40 Cb -0.10 -1.25 -0.01 0.00 -1.58 0.00 0.00 42.46 39.52 3gpw s ILE 40 CO 0.00 0.41 -0.02 0.00 -1.23 0.00 0.00 174.94 174.10 3gpw s ALA 41 N 0.68 2.87 0.31 9.38 0.00 0.01 0.29 121.76 135.30 3gpw s ALA 41 Ca -0.14 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 50.74 3gpw s ALA 41 Cb -0.16 -1.76 -0.06 0.00 0.00 0.00 0.00 23.12 21.13 3gpw s ALA 41 CO 0.04 -0.45 -0.07 0.95 0.00 0.00 0.00 175.76 176.23 3gpw s THR 42 N 1.50 1.90 -2.00 0.00 -4.23 0.54 -4.86 115.64 108.49 3gpw s THR 42 Ca 0.06 -2.16 0.05 0.00 -1.18 0.00 0.00 61.69 58.45 3gpw s THR 42 Cb -0.14 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.30 3gpw s THR 42 CO -0.02 -0.26 0.75 0.29 -0.54 0.00 0.00 174.62 174.84 3gpw n LYS 43 N -0.67 0.49 0.00 3.99 5.02 -1.26 -1.42 118.16 124.31 3gpw n LYS 43 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3gpw n LYS 43 Cb 0.63 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 3gpw n LYS 43 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3gpw n GLU 44 N -0.65 1.12 0.00 1.97 1.02 -1.26 -5.04 120.64 117.80 3gpw n GLU 44 Ca 0.04 -1.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 3gpw n GLU 44 Cb 0.02 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 3gpw n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gpw n GLY 45 N -0.26 1.98 3.21 0.62 0.00 -0.51 -4.79 105.19 105.44 3gpw n GLY 45 Ca 0.00 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 3gpw n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 46 N -1.45 1.82 -0.03 1.61 1.01 -0.96 -0.34 120.40 122.07 3gpw s VAL 46 Ca 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3gpw s VAL 46 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3gpw s VAL 46 CO 0.00 0.51 0.05 -0.69 0.00 0.00 0.00 175.10 174.97 3gpw s VAL 47 N 0.03 4.58 -0.06 2.92 1.01 0.15 -1.78 120.40 127.24 3gpw s VAL 47 Ca -0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 3gpw s VAL 47 Cb -0.14 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.22 3gpw s VAL 47 CO 0.04 0.42 0.01 -0.76 0.00 0.00 0.00 175.10 174.81 3gpw s LEU 48 N -1.49 0.57 0.10 3.92 1.02 0.28 -0.78 118.68 122.29 3gpw s LEU 48 Ca 0.20 -0.06 0.06 0.00 0.02 0.00 0.00 54.13 54.35 3gpw s LEU 48 Cb -0.12 -0.39 -0.03 0.00 0.02 0.00 0.00 46.19 45.67 3gpw s LEU 48 CO 0.10 -0.19 -0.16 -0.83 0.02 0.00 0.00 176.35 175.29 3gpw s GLY 49 N 1.93 1.05 0.08 -3.19 0.00 0.59 -1.41 107.32 106.37 3gpw s GLY 49 Ca 0.04 -1.16 -0.02 0.00 0.00 0.00 0.00 44.72 43.57 3gpw s GLY 49 CO -0.05 -1.19 0.02 -1.34 0.00 0.00 0.00 173.10 170.54 3gpw s VAL 50 N -1.48 0.18 -0.35 1.40 -7.23 -0.55 -0.11 120.40 112.27 3gpw s VAL 50 Ca 0.04 -1.75 -0.14 0.00 -1.81 0.00 0.00 61.98 58.32 3gpw s VAL 50 Cb -0.09 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 3gpw s VAL 50 CO 0.03 -0.82 0.28 -0.70 -0.31 0.00 0.00 175.10 173.58 3gpw s GLU 51 N -3.94 3.47 0.08 4.82 2.12 -0.31 -2.05 118.70 122.89 3gpw s GLU 51 Ca 0.11 -0.61 -0.34 0.00 0.36 0.00 0.00 54.97 54.49 3gpw s GLU 51 Cb 0.07 -3.82 -0.16 0.00 0.26 0.00 0.00 34.13 30.48 3gpw s GLU 51 CO -0.07 -0.50 1.59 0.87 -0.54 0.00 0.00 175.26 176.61 3gpw h LYS 52 N 8.50 -0.91 -5.54 4.30 6.56 -1.13 -3.42 116.57 124.92 3gpw h LYS 52 Ca -0.30 0.06 -0.26 0.00 -1.06 0.00 0.00 60.65 59.08 3gpw h LYS 52 Cb 1.15 0.21 0.18 0.00 -0.57 0.00 0.00 32.23 33.20 3gpw h LYS 52 CO 0.66 -0.61 -0.84 -2.13 -2.06 0.00 0.00 179.45 174.47 3gpw n ARG 53 N -5.54 -2.10 -2.10 3.15 0.63 -1.25 -4.97 116.66 104.49 3gpw n ARG 53 Ca -0.12 0.84 -0.36 0.00 -0.92 0.00 0.00 57.85 57.29 3gpw n ARG 53 Cb 0.43 -5.63 0.02 0.00 0.45 0.00 0.00 32.46 27.73 3gpw n ARG 53 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gpw s ALA 54 N -3.39 2.60 -1.50 5.13 0.00 -1.26 -4.94 121.76 118.41 3gpw s ALA 54 Ca 0.45 0.95 0.27 0.00 0.00 0.00 0.00 51.96 53.62 3gpw s ALA 54 Cb -0.07 -3.42 0.78 0.00 0.00 0.00 0.00 23.12 20.41 3gpw s ALA 54 CO 0.75 -1.02 1.59 0.25 0.00 0.00 0.00 175.76 177.33 3gpw n THR 55 N -1.47 0.00 -3.50 0.00 -2.24 -1.26 -4.92 114.28 100.89 3gpw n THR 55 Ca 0.13 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.67 3gpw n THR 55 Cb 0.50 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.92 3gpw n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gpw s SER 56 N -2.66 -0.62 0.50 3.42 0.15 -1.26 -5.03 113.70 108.20 3gpw s SER 56 Ca 0.21 0.51 0.33 0.00 0.70 0.00 0.00 55.95 57.71 3gpw s SER 56 Cb 0.19 0.55 1.54 0.00 -1.71 0.00 0.00 66.02 66.59 3gpw s SER 56 CO 0.56 -0.70 2.00 1.55 1.20 0.00 0.00 173.24 177.86 3gpw h PRO 57 N 2.77 0.00 0.00 5.44 0.13 -2.05 -2.45 132.00 135.84 3gpw h PRO 57 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3gpw h PRO 57 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3gpw h PRO 57 CO 0.39 0.00 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.07 3gpw h LEU 58 N 0.00 0.00 -9.24 1.56 3.38 -2.01 -3.44 115.31 105.56 3gpw h LEU 58 Ca 0.00 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3gpw h LEU 58 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3gpw h LEU 58 CO 0.00 0.00 0.82 -0.22 0.09 0.00 0.00 178.44 179.13 3gpw s LEU 59 N -5.26 4.23 -0.52 1.67 1.98 -0.93 -4.95 118.68 114.91 3gpw s LEU 59 Ca 0.09 1.78 -0.27 0.00 -2.89 0.00 0.00 54.13 52.84 3gpw s LEU 59 Cb 0.09 -3.55 -0.01 0.00 0.66 0.00 0.00 46.19 43.38 3gpw s LEU 59 CO 0.63 -0.69 1.70 -1.61 -1.89 0.00 0.00 176.35 174.50 3gpw s GLU 60 N 2.89 3.04 0.36 1.98 2.02 -1.26 -4.89 118.70 122.85 3gpw s GLU 60 Ca 0.56 0.79 0.17 0.00 0.02 0.00 0.00 54.97 56.51 3gpw s GLU 60 Cb -0.24 -4.25 1.10 0.00 0.10 0.00 0.00 34.13 30.85 3gpw s GLU 60 CO 0.19 -2.23 1.69 0.66 0.02 0.00 0.00 175.26 175.59 3gpw h SER 61 N 13.13 0.49 0.45 -0.19 4.64 -1.93 -1.42 113.55 128.71 3gpw h SER 61 Ca -0.28 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3gpw h SER 61 Cb 1.14 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3gpw h SER 61 CO 1.15 -0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 176.17 3gpw n ASP 62 N -4.87 0.00 -0.41 4.97 3.85 -1.26 -1.85 116.55 116.98 3gpw n ASP 62 Ca 0.30 0.29 0.10 0.00 -0.71 0.00 0.00 54.79 54.78 3gpw n ASP 62 Cb 0.98 -0.40 0.42 0.00 -1.35 0.00 0.00 41.12 40.77 3gpw n ASP 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3gpw n SER 63 N -1.40 1.24 -4.53 -1.12 3.41 -0.53 -4.69 113.62 106.00 3gpw n SER 63 Ca 0.06 -1.63 -0.43 0.00 -0.26 0.00 0.00 58.87 56.61 3gpw n SER 63 Cb 0.16 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 3gpw n SER 63 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3gpw s ILE 64 N -1.85 4.80 -0.61 -1.33 -1.09 -0.77 -5.00 121.20 115.35 3gpw s ILE 64 Ca 0.31 0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.93 3gpw s ILE 64 Cb 0.16 -4.22 0.16 0.00 -1.58 0.00 0.00 42.46 36.98 3gpw s ILE 64 CO 0.25 -0.60 0.41 -0.70 -1.23 0.00 0.00 174.94 173.08 3gpw s GLU 65 N 2.89 2.47 0.00 2.79 2.12 -1.26 -4.86 118.70 122.86 3gpw s GLU 65 Ca 0.24 -2.56 0.13 0.00 0.36 0.00 0.00 54.97 53.14 3gpw s GLU 65 Cb -0.14 -3.66 0.22 0.00 0.26 0.00 0.00 34.13 30.81 3gpw s GLU 65 CO 0.19 -1.16 1.09 1.63 -0.54 0.00 0.00 175.26 176.47 3gpw n LYS 66 N 3.40 1.69 -3.88 4.30 5.02 -1.26 -4.84 118.16 122.58 3gpw n LYS 66 Ca 0.08 -1.66 -0.28 0.00 -2.02 0.00 0.00 58.31 54.43 3gpw n LYS 66 Cb 0.37 -1.29 -0.17 0.00 -0.02 0.00 0.00 35.03 33.92 3gpw n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gpw s ILE 67 N -1.08 1.02 0.14 -0.18 1.01 -1.26 -1.72 121.20 119.14 3gpw s ILE 67 Ca 0.21 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.40 3gpw s ILE 67 Cb 0.13 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 3gpw s ILE 67 CO 0.18 0.16 -0.13 0.68 0.00 0.00 0.00 174.94 175.84 3gpw s VAL 68 N 1.68 1.34 -0.01 2.92 -7.23 -0.28 -4.97 120.40 113.85 3gpw s VAL 68 Ca 0.02 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.07 3gpw s VAL 68 Cb -0.15 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 3gpw s VAL 68 CO -0.08 -0.55 0.62 -0.70 -0.31 0.00 0.00 175.10 174.08 3gpw s GLU 69 N -3.17 4.35 -0.24 4.82 2.12 -1.26 -0.64 118.70 124.68 3gpw s GLU 69 Ca 0.14 0.77 -0.14 0.00 0.36 0.00 0.00 54.97 56.09 3gpw s GLU 69 Cb -0.02 -3.36 -0.16 0.00 0.26 0.00 0.00 34.13 30.85 3gpw s GLU 69 CO 0.03 0.32 -0.09 -0.89 -0.54 0.00 0.00 175.26 174.08 3gpw n ILE 70 N 2.89 1.55 -3.91 -3.70 2.08 0.85 -4.94 119.36 114.17 3gpw n ILE 70 Ca -0.06 -0.31 -0.08 0.00 0.56 0.00 0.00 62.75 62.86 3gpw n ILE 70 Cb 0.51 -1.87 -0.03 0.00 -0.75 0.00 0.00 39.64 37.50 3gpw n ILE 70 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3gpw s ASP 71 N -7.14 -0.14 0.54 4.38 3.68 -0.42 -4.49 116.67 113.07 3gpw s ASP 71 Ca -0.34 -0.79 0.29 0.00 2.13 0.00 0.00 52.55 53.84 3gpw s ASP 71 Cb 0.11 0.69 1.45 0.00 -1.45 0.00 0.00 42.92 43.72 3gpw s ASP 71 CO 0.56 -1.31 1.93 -0.09 0.13 0.00 0.00 175.17 176.39 3gpw h ARG 72 N 2.09 0.00 -0.46 4.34 2.43 -1.96 -0.48 114.38 120.33 3gpw h ARG 72 Ca -0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3gpw h ARG 72 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3gpw h ARG 72 CO 0.29 0.00 0.00 -2.39 -1.51 0.00 0.00 179.97 176.36 3gpw n HIS 73 N -4.28 0.61 -3.75 2.20 1.44 -1.26 -0.41 115.22 109.77 3gpw n HIS 73 Ca 0.15 -0.43 -0.13 0.00 -2.01 0.00 0.00 57.72 55.30 3gpw n HIS 73 Cb 0.81 -0.01 -0.14 0.00 0.12 0.00 0.00 29.99 30.77 3gpw n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3gpw s ILE 74 N -1.06 -0.04 0.16 0.61 1.01 -0.19 -1.53 121.20 120.16 3gpw s ILE 74 Ca 0.34 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.12 3gpw s ILE 74 Cb 0.18 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 3gpw s ILE 74 CO 0.24 0.06 0.07 -0.83 0.00 0.00 0.00 174.94 174.48 3gpw s GLY 75 N 1.04 1.17 0.10 6.18 0.00 0.40 -0.11 107.32 116.10 3gpw s GLY 75 Ca -0.08 -1.57 -0.16 0.00 0.00 0.00 0.00 44.72 42.91 3gpw s GLY 75 CO -0.06 -1.40 0.39 0.00 0.00 0.00 0.00 173.10 172.03 3gpw s ALA 77 N -3.40 2.39 0.13 0.00 0.00 0.51 -1.12 121.76 120.27 3gpw s ALA 77 Ca 0.01 -1.51 0.07 0.00 0.00 0.00 0.00 51.96 50.53 3gpw s ALA 77 Cb 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3gpw s ALA 77 CO -0.09 0.50 -0.17 0.00 0.00 0.00 0.00 175.76 176.00 3gpw s MET 78 N -2.24 1.12 -0.13 0.00 0.23 -0.70 -0.10 119.30 117.49 3gpw s MET 78 Ca 0.16 -1.26 -0.05 0.00 -1.03 0.00 0.00 55.69 53.50 3gpw s MET 78 Cb -0.09 -1.14 0.06 0.00 -1.53 0.00 0.00 34.83 32.12 3gpw s MET 78 CO 0.07 0.24 0.27 0.45 -2.03 0.00 0.00 175.02 174.02 3gpw s SER 79 N -2.37 0.04 0.00 -1.18 0.15 -0.90 -4.83 113.70 104.61 3gpw s SER 79 Ca 0.10 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.35 3gpw s SER 79 Cb -0.07 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3gpw s SER 79 CO 0.04 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3gpw n GLY 80 N 4.86 0.29 3.57 9.45 0.00 -1.26 -1.58 105.19 120.52 3gpw n GLY 80 Ca -0.15 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 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 3.38 0.52 0.99 1.43 0.25 -4.80 118.68 120.46 3gpw s LEU 81 Ca 0.00 -1.66 0.29 0.00 -1.03 0.00 0.00 54.13 51.73 3gpw s LEU 81 Cb 0.00 -2.58 1.42 0.00 0.03 0.00 0.00 46.19 45.06 3gpw s LEU 81 CO 0.00 -2.18 1.88 0.71 0.23 0.00 0.00 176.35 176.99 3gpw h THR 82 N 6.33 0.57 0.00 5.49 1.35 -1.90 -0.54 112.91 124.20 3gpw h THR 82 Ca 0.26 -0.02 -0.04 0.00 -0.55 0.00 0.00 66.41 66.05 3gpw h THR 82 Cb 0.94 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3gpw h THR 82 CO 1.33 0.01 -0.19 0.00 -0.25 0.00 0.00 175.52 176.42 3gpw h ALA 83 N 1.56 1.66 0.00 6.62 0.00 -1.97 -1.47 119.26 125.66 3gpw h ALA 83 Ca 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3gpw h ALA 83 Cb 1.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3gpw h ALA 83 CO -0.04 0.24 0.00 -0.44 0.00 0.00 0.00 179.25 179.01 3gpw h ASP 84 N 0.00 0.00 1.24 0.00 3.45 -1.47 -3.00 116.42 116.63 3gpw h ASP 84 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gpw h ASP 84 Cb 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3gpw h ASP 84 CO 0.02 0.00 -0.30 0.00 -1.57 0.00 0.00 179.24 177.40 3gpw h ALA 85 N 2.19 0.81 0.11 3.45 0.00 -1.37 -3.38 119.26 121.05 3gpw h ALA 85 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gpw h ALA 85 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gpw h ALA 85 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.12 3gpw h ARG 86 N 0.00 -0.27 0.00 0.00 2.47 -1.65 -0.33 114.38 114.60 3gpw h ARG 86 Ca 0.00 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 3gpw h ARG 86 Cb 0.77 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 3gpw h ARG 86 CO 0.00 -0.18 -0.11 0.66 0.56 0.00 0.00 179.97 180.91 3gpw h SER 87 N -0.28 0.00 -0.15 7.04 4.64 -1.82 -0.75 113.55 122.23 3gpw h SER 87 Ca 0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 3gpw h SER 87 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3gpw h SER 87 CO -0.05 0.11 -0.45 0.24 -0.87 0.00 0.00 176.83 175.81 3gpw h MET 88 N 0.00 0.57 -0.30 4.77 2.86 -1.55 -1.43 114.93 119.85 3gpw h MET 88 Ca -0.00 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 3gpw h MET 88 Cb 0.30 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3gpw h MET 88 CO 0.01 1.03 0.13 0.82 1.06 0.00 0.00 176.91 179.97 3gpw h ILE 89 N 0.20 1.16 -0.15 -1.22 1.08 -0.42 -0.96 117.51 117.20 3gpw h ILE 89 Ca -0.01 -0.48 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 3gpw h ILE 89 Cb 1.07 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 3gpw h ILE 89 CO 0.10 0.17 -0.05 -0.08 -0.69 0.00 0.00 178.15 177.59 3gpw h GLU 90 N 0.34 -0.03 -0.87 2.37 4.57 -1.16 0.18 114.58 119.98 3gpw h GLU 90 Ca 0.10 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3gpw h GLU 90 Cb 0.15 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 3gpw h GLU 90 CO -0.01 -0.02 0.55 1.25 -1.18 0.00 0.00 179.01 179.60 3gpw h HIS 91 N -0.03 1.02 -0.12 0.92 2.76 -1.07 -0.58 115.15 118.05 3gpw h HIS 91 Ca 0.08 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3gpw h HIS 91 Cb 0.14 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3gpw h HIS 91 CO -0.20 0.53 0.03 0.00 -1.30 0.00 0.00 177.93 177.00 3gpw h ALA 92 N 1.40 0.16 -0.37 5.26 0.00 -0.18 0.33 119.26 125.85 3gpw h ALA 92 Ca 0.37 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3gpw h ALA 92 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3gpw h ALA 92 CO -0.16 -0.21 0.23 0.00 0.00 0.00 0.00 179.25 179.11 3gpw h ARG 93 N 0.00 0.46 -0.74 0.00 3.08 -0.38 -1.02 114.38 115.79 3gpw h ARG 93 Ca 0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3gpw h ARG 93 Cb 0.24 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3gpw h ARG 93 CO -0.00 0.30 0.37 1.15 -1.07 0.00 0.00 179.97 180.73 3gpw h THR 94 N 0.47 1.23 -0.36 2.04 2.02 -1.02 -1.04 112.91 116.26 3gpw h THR 94 Ca 0.14 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3gpw h THR 94 Cb -0.02 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 3gpw h THR 94 CO -0.05 0.27 0.19 0.00 0.37 0.00 0.00 175.52 176.30 3gpw h ALA 95 N 1.19 0.46 -0.27 6.16 0.00 -0.42 0.21 119.26 126.58 3gpw h ALA 95 Ca 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3gpw h ALA 95 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3gpw h ALA 95 CO -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.22 3gpw h ALA 96 N 1.05 0.36 -0.49 0.00 0.00 -1.01 -0.82 119.26 118.35 3gpw h ALA 96 Ca 0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3gpw h ALA 96 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gpw h ALA 96 CO -0.02 0.08 0.15 0.28 0.00 0.00 0.00 179.25 179.74 3gpw h VAL 97 N 0.26 1.23 -0.61 0.00 2.07 -1.08 -2.13 116.25 115.99 3gpw h VAL 97 Ca 0.08 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3gpw h VAL 97 Cb 0.40 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3gpw h VAL 97 CO 0.01 0.28 0.40 0.74 0.02 0.00 0.00 177.57 179.03 3gpw h THR 98 N 0.67 1.15 -0.93 2.57 2.02 -0.46 -1.24 112.91 116.69 3gpw h THR 98 Ca 0.16 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 67.09 3gpw h THR 98 Cb 0.28 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 3gpw h THR 98 CO -0.00 0.15 0.60 -0.74 0.37 0.00 0.00 175.52 175.90 3gpw h HIS 99 N 0.82 1.13 -0.62 3.16 6.17 -0.90 -0.66 115.15 124.25 3gpw h HIS 99 Ca 0.22 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.28 3gpw h HIS 99 Cb -0.09 -0.38 -0.03 0.00 2.52 0.00 0.00 27.41 29.44 3gpw h HIS 99 CO -0.03 0.65 0.17 -0.97 0.71 0.00 0.00 177.93 178.45 3gpw h ASN 100 N 1.16 0.92 -0.70 3.26 -0.73 -0.69 0.17 115.58 118.98 3gpw h ASN 100 Ca 0.37 -0.22 -0.04 0.00 1.87 0.00 0.00 56.30 58.28 3gpw h ASN 100 Cb 0.01 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.33 3gpw h ASN 100 CO -0.12 0.90 0.28 0.25 -0.37 0.00 0.00 177.43 178.37 3gpw h LEU 101 N 0.90 0.97 -0.07 0.34 5.85 -0.31 0.42 115.31 123.42 3gpw h LEU 101 Ca 0.20 -0.17 -0.25 0.00 0.84 0.00 0.00 57.88 58.50 3gpw h LEU 101 Cb 0.33 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.11 3gpw h LEU 101 CO -0.00 0.88 -1.05 1.88 -0.34 0.00 0.00 178.44 179.81 3gpw h TYR 102 N 1.00 0.62 -0.06 1.25 0.05 -0.89 -3.38 116.97 115.56 3gpw h TYR 102 Ca 0.23 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3gpw h TYR 102 Cb 0.21 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3gpw h TYR 102 CO 0.02 1.22 0.00 0.66 -1.05 0.00 0.00 178.16 179.00 3gpw n TYR 103 N -3.70 0.08 -3.80 4.88 4.02 0.59 -5.01 117.16 114.23 3gpw n TYR 103 Ca -0.08 -0.16 -0.23 0.00 -0.01 0.00 0.00 57.90 57.41 3gpw n TYR 103 Cb 0.90 -0.01 0.01 0.00 -0.02 0.00 0.00 39.34 40.22 3gpw n TYR 103 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3gpw n ASP 104 N 0.22 -1.12 -3.32 7.72 4.64 0.15 -4.94 116.55 119.89 3gpw n ASP 104 Ca 0.04 -0.91 -0.05 0.00 -1.38 0.00 0.00 54.79 52.49 3gpw n ASP 104 Cb 0.21 -3.61 0.01 0.00 -1.04 0.00 0.00 41.12 36.68 3gpw n ASP 104 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3gpw s GLU 105 N -6.19 1.58 0.15 -0.67 -1.05 -1.25 -5.08 118.70 106.19 3gpw s GLU 105 Ca 0.04 -0.99 -0.18 0.00 -0.15 0.00 0.00 54.97 53.68 3gpw s GLU 105 Cb -0.01 0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 34.06 3gpw s GLU 105 CO 0.85 -0.74 0.62 -0.51 0.95 0.00 0.00 175.26 176.43 3gpw s ASP 106 N -3.22 7.00 0.14 0.83 -0.00 -1.26 -3.72 116.67 116.44 3gpw s ASP 106 Ca 0.18 1.27 -0.30 0.00 -0.00 0.00 0.00 52.55 53.70 3gpw s ASP 106 Cb -0.03 -2.36 -0.07 0.00 -0.00 0.00 0.00 42.92 40.46 3gpw s ASP 106 CO 0.07 0.14 1.09 -0.51 -0.00 0.00 0.00 175.17 175.96 3gpw s ILE 107 N -1.35 4.03 0.42 0.77 1.10 -1.26 -4.99 121.20 119.91 3gpw s ILE 107 Ca 0.36 1.67 -0.26 0.00 -0.51 0.00 0.00 60.65 61.92 3gpw s ILE 107 Cb -0.17 -4.07 -0.09 0.00 0.15 0.00 0.00 42.46 38.28 3gpw s ILE 107 CO 0.20 0.25 1.33 0.20 -2.11 0.00 0.00 174.94 174.81 3gpw s ASN 108 N 0.15 6.21 0.30 4.50 0.02 -1.26 -4.84 114.94 120.02 3gpw s ASN 108 Ca 0.51 2.71 0.03 0.00 -1.02 0.00 0.00 52.86 55.08 3gpw s ASN 108 Cb -0.28 -2.64 0.60 0.00 0.02 0.00 0.00 41.25 38.95 3gpw s ASN 108 CO 0.33 -0.92 1.86 0.58 0.02 0.00 0.00 177.10 178.97 3gpw h VAL 109 N 2.42 0.94 -0.37 1.60 2.07 -1.94 -0.52 116.25 120.45 3gpw h VAL 109 Ca -0.50 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3gpw h VAL 109 Cb 1.25 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3gpw h VAL 109 CO 0.62 0.17 -0.03 -0.08 0.02 0.00 0.00 177.57 178.28 3gpw h GLU 110 N 0.94 0.67 -0.35 1.57 4.22 -1.99 -1.67 114.58 117.98 3gpw h GLU 110 Ca 0.46 -0.23 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 3gpw h GLU 110 Cb 0.46 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3gpw h GLU 110 CO -0.22 0.79 0.17 0.77 -2.18 0.00 0.00 179.01 178.34 3gpw h SER 111 N 0.48 0.46 -0.75 1.04 0.02 -1.71 0.34 113.55 113.44 3gpw h SER 111 Ca 0.10 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3gpw h SER 111 Cb 0.51 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3gpw h SER 111 CO 0.02 0.46 0.48 0.25 -1.14 0.00 0.00 176.83 176.90 3gpw h LEU 112 N 0.43 0.80 -0.18 5.07 7.12 -1.07 -1.53 115.31 125.95 3gpw h LEU 112 Ca 0.12 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.11 3gpw h LEU 112 Cb 0.12 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.06 3gpw h LEU 112 CO -0.01 0.56 0.06 0.74 -0.13 0.00 0.00 178.44 179.66 3gpw h THR 113 N 0.95 1.18 -0.70 1.05 2.02 -0.86 -2.67 112.91 113.88 3gpw h THR 113 Ca 0.29 -0.54 0.09 0.00 0.77 0.00 0.00 66.41 67.02 3gpw h THR 113 Cb -0.02 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3gpw h THR 113 CO -0.10 0.17 0.46 -0.61 0.37 0.00 0.00 175.52 175.81 3gpw h GLN 114 N 0.12 0.59 -0.28 6.66 5.75 -0.60 -0.68 115.11 126.67 3gpw h GLN 114 Ca 0.06 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3gpw h GLN 114 Cb 0.21 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3gpw h GLN 114 CO -0.00 0.39 0.10 1.03 -2.65 0.00 0.00 178.83 177.69 3gpw h SER 115 N 0.61 0.41 -0.35 -0.69 0.87 -1.01 -2.26 113.55 111.12 3gpw h SER 115 Ca 0.32 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3gpw h SER 115 Cb 0.44 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3gpw h SER 115 CO -0.11 0.49 0.16 0.58 -0.53 0.00 0.00 176.83 177.43 3gpw h VAL 116 N 0.30 1.17 0.00 2.23 2.07 -1.00 -2.23 116.25 118.79 3gpw h VAL 116 Ca 0.09 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3gpw h VAL 116 Cb 0.23 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gpw h VAL 116 CO -0.00 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.77 3gpw h ASP 118 N 0.00 0.00 -0.11 0.00 3.45 -0.79 -3.08 116.42 115.89 3gpw h ASP 118 Ca 0.00 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.28 3gpw h ASP 118 Cb 0.17 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3gpw h ASP 118 CO 0.00 0.50 -0.58 -0.07 -1.57 0.00 0.00 179.24 177.52 3gpw h LEU 119 N 0.00 0.80 0.00 1.55 3.38 -1.45 -3.39 115.31 116.20 3gpw h LEU 119 Ca -0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3gpw h LEU 119 Cb 1.12 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3gpw h LEU 119 CO 0.06 1.21 0.00 0.00 0.09 0.00 0.00 178.44 179.80 3gpw n ALA 120 N -2.55 0.00 1.51 1.53 0.00 -1.16 -0.60 120.51 119.24 3gpw n ALA 120 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.41 3gpw n ALA 120 Cb 0.64 0.15 0.04 0.00 0.00 0.00 0.00 19.45 20.28 3gpw n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gpw n LEU 121 N -2.12 0.72 -2.61 0.00 4.77 -1.26 -4.48 117.00 112.01 3gpw n LEU 121 Ca 0.00 -0.36 -0.25 0.00 -0.03 0.00 0.00 56.01 55.37 3gpw n LEU 121 Cb 0.00 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 40.83 3gpw n LEU 121 CO 0.00 0.16 2.44 0.54 -1.33 0.00 0.00 177.39 179.20 3gpw n ARG 122 N -0.17 2.80 -4.28 3.23 1.74 0.23 -4.86 116.66 115.36 3gpw n ARG 122 Ca 0.03 -1.58 -0.15 0.00 -0.77 0.00 0.00 57.85 55.38 3gpw n ARG 122 Cb 0.14 -2.37 -0.10 0.00 -1.02 0.00 0.00 32.46 29.11 3gpw n ARG 122 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3gpw s PHE 123 N 1.48 1.38 -5.00 -1.55 -0.71 -1.26 -3.87 117.98 108.44 3gpw s PHE 123 Ca 0.68 -0.82 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 3gpw s PHE 123 Cb 0.26 -0.74 0.00 0.00 -1.21 0.00 0.00 43.02 41.33 3gpw s PHE 123 CO -0.03 0.03 0.00 0.41 -1.34 0.00 0.00 175.22 174.29 3gpw n GLY 12 N -0.28 0.17 0.33 1.99 0.00 0.68 -4.82 105.19 103.26 3gpw n GLY 12 Ca -0.08 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.27 3gpw n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gpw n GLU 12 N -0.50 2.39 0.00 1.61 1.02 -1.26 -4.40 120.64 119.49 3gpw n GLU 12 Ca 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 57.16 54.88 3gpw n GLU 12 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 3gpw n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gpw n GLY 12 N -0.64 0.00 3.67 0.62 0.00 -1.26 -5.13 105.19 102.45 3gpw n GLY 12 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3gpw n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ALA 12 N 0.00 3.62 -0.83 4.61 0.00 -1.26 -4.93 121.76 122.97 3gpw s ALA 12 Ca 0.00 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 3gpw s ALA 12 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3gpw s ALA 12 CO 0.00 -1.15 1.97 -1.12 0.00 0.00 0.00 175.76 175.45 3gpw s SER 12 N 2.51 5.08 0.00 0.00 0.01 -1.26 -3.89 113.70 116.15 3gpw s SER 12 Ca 0.68 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.54 3gpw s SER 12 Cb -0.32 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.36 3gpw s SER 12 CO 0.27 -2.75 0.00 0.61 0.41 0.00 0.00 173.24 171.78 3gpw n GLY 12 N 6.60 0.18 0.00 3.44 0.00 -1.26 -5.13 105.19 109.01 3gpw n GLY 12 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3gpw n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gpw n GLU 12 N 0.00 0.00 -3.17 1.61 2.13 -1.25 -5.04 120.64 114.92 3gpw n GLU 12 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 3gpw n GLU 12 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 3gpw n GLU 12 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3gpw n GLU 125 N 0.00 1.17 -2.15 5.31 2.13 -1.26 -4.95 120.64 120.88 3gpw n GLU 125 Ca 0.00 -3.51 -0.30 0.00 0.66 0.00 0.00 57.16 54.00 3gpw n GLU 125 Cb 0.00 -1.71 -0.05 0.00 0.27 0.00 0.00 31.44 29.95 3gpw n GLU 125 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3gpw s ARG 126 N -2.38 2.75 -0.81 5.31 3.03 -1.26 -4.90 118.95 120.69 3gpw s ARG 126 Ca 0.40 -1.16 -0.19 0.00 2.03 0.00 0.00 55.73 56.82 3gpw s ARG 126 Cb 0.32 -5.26 0.13 0.00 -1.03 0.00 0.00 34.95 29.11 3gpw s ARG 126 CO -0.09 -3.59 0.97 -1.17 -1.13 0.00 0.00 175.30 170.29 3gpw s LEU 127 N 9.73 5.25 -0.30 -1.89 2.96 -1.26 -3.94 118.68 129.23 3gpw s LEU 127 Ca 0.66 -1.86 -0.15 0.00 -0.22 0.00 0.00 54.13 52.56 3gpw s LEU 127 Cb -0.01 -2.36 0.16 0.00 0.50 0.00 0.00 46.19 44.48 3gpw s LEU 127 CO 0.10 -1.07 0.97 -0.32 -1.32 0.00 0.00 176.35 174.71 3gpw s MET 128 N 2.55 0.33 0.33 1.98 1.75 -1.25 -4.99 119.30 120.00 3gpw s MET 128 Ca 0.25 0.75 0.12 0.00 -1.25 0.00 0.00 55.69 55.56 3gpw s MET 128 Cb -0.11 0.37 0.58 0.00 2.84 0.00 0.00 34.83 38.51 3gpw s MET 128 CO -0.03 -0.10 1.74 0.66 -0.65 0.00 0.00 175.02 176.64 3gpw h SER 129 N 7.17 0.00 -5.27 1.11 4.64 -1.89 0.19 113.55 119.50 3gpw h SER 129 Ca -0.19 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 3gpw h SER 129 Cb 1.13 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.09 3gpw h SER 129 CO 0.11 0.47 -0.39 0.00 -0.87 0.00 0.00 176.83 176.15 3gpw s ARG 130 N -3.94 1.06 1.05 4.77 1.70 -1.26 -4.29 118.95 118.04 3gpw s ARG 130 Ca -0.02 -1.19 -0.13 0.00 -0.47 0.00 0.00 55.73 53.92 3gpw s ARG 130 Cb 0.14 0.35 0.22 0.00 -0.57 0.00 0.00 34.95 35.08 3gpw s ARG 130 CO 0.74 -0.36 1.08 -2.14 -1.08 0.00 0.00 175.30 173.53 3gpw s PRO 131 N -3.96 -0.01 0.43 3.89 0.02 -1.26 -4.86 135.00 129.25 3gpw s PRO 131 Ca 0.16 0.51 -0.23 0.00 0.02 0.00 0.00 61.00 61.47 3gpw s PRO 131 Cb 0.04 -1.69 -0.09 0.00 0.02 0.00 0.00 34.50 32.79 3gpw s PRO 131 CO -0.02 -3.03 1.05 -0.06 -0.33 0.00 0.00 177.00 174.61 3gpw s PHE 132 N -2.88 3.16 -0.62 6.54 0.40 -1.26 -4.95 117.98 118.37 3gpw s PHE 132 Ca 0.66 1.62 0.00 0.00 -0.60 0.00 0.00 56.93 58.61 3gpw s PHE 132 Cb -0.19 -3.11 0.43 0.00 0.51 0.00 0.00 43.02 40.66 3gpw s PHE 132 CO 0.59 -0.72 1.83 0.41 0.70 0.00 0.00 175.22 178.03 3gpw n GLY 133 N 0.12 5.91 3.46 4.36 0.00 -1.26 -4.71 105.19 113.08 3gpw n GLY 133 Ca 0.07 -2.44 -0.12 0.00 0.00 0.00 0.00 46.02 43.53 3gpw n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpw s VAL 134 N -4.88 -0.00 0.21 1.61 0.11 -1.26 0.88 120.40 117.06 3gpw s VAL 134 Ca 0.59 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.68 3gpw s VAL 134 Cb 0.47 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 3gpw s VAL 134 CO -0.09 0.01 0.35 0.00 -3.33 0.00 0.00 175.10 172.04 3gpw s ALA 135 N 0.61 3.90 0.05 1.54 0.00 -0.61 -4.52 121.76 122.73 3gpw s ALA 135 Ca -0.02 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.95 3gpw s ALA 135 Cb -0.05 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 3gpw s ALA 135 CO -0.04 0.38 -0.14 -0.51 0.00 0.00 0.00 175.76 175.45 3gpw s LEU 136 N -3.57 2.21 -0.29 0.00 1.43 -0.27 -2.12 118.68 116.07 3gpw s LEU 136 Ca 0.36 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3gpw s LEU 136 Cb -0.10 -0.57 0.03 0.00 0.03 0.00 0.00 46.19 45.58 3gpw s LEU 136 CO 0.29 -0.00 0.00 -0.76 0.23 0.00 0.00 176.35 176.11 3gpw s LEU 137 N -1.34 3.68 -0.25 1.79 1.43 0.86 -0.68 118.68 124.18 3gpw s LEU 137 Ca 0.00 -1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 52.00 3gpw s LEU 137 Cb -0.09 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3gpw s LEU 137 CO 0.02 -0.21 0.05 -0.63 0.23 0.00 0.00 176.35 175.80 3gpw s ILE 138 N 1.33 4.06 -0.01 -0.59 1.01 0.17 -0.36 121.20 126.80 3gpw s ILE 138 Ca -0.02 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.38 3gpw s ILE 138 Cb -0.18 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 3gpw s ILE 138 CO -0.01 0.32 -0.22 0.00 0.00 0.00 0.00 174.94 175.03 3gpw s ALA 139 N 1.57 1.80 0.04 9.38 0.00 0.23 -0.30 121.76 134.49 3gpw s ALA 139 Ca 0.06 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3gpw s ALA 139 Cb -0.15 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.54 3gpw s ALA 139 CO 0.02 0.44 0.25 0.41 0.00 0.00 0.00 175.76 176.88 3gpw n GLY 140 N 2.48 1.10 2.96 0.00 0.00 -0.46 -0.45 105.19 110.81 3gpw n GLY 140 Ca -0.15 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3gpw n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gpw s HIS 141 N -4.95 0.18 -0.03 1.61 2.46 -0.58 -0.14 115.29 113.84 3gpw s HIS 141 Ca 0.06 -0.36 -0.24 0.00 0.47 0.00 0.00 55.06 54.98 3gpw s HIS 141 Cb -0.01 -0.13 0.05 0.00 -0.13 0.00 0.00 32.58 32.36 3gpw s HIS 141 CO 0.01 -0.14 0.53 0.16 -2.47 0.00 0.00 174.74 172.83 3gpw s ASP 142 N -1.05 -0.47 0.35 9.88 3.84 -1.04 -4.79 116.67 123.39 3gpw s ASP 142 Ca -0.12 0.44 0.13 0.00 -0.00 0.00 0.00 52.55 53.00 3gpw s ASP 142 Cb -0.07 0.45 0.97 0.00 -1.38 0.00 0.00 42.92 42.90 3gpw s ASP 142 CO -0.01 -0.56 1.75 0.00 -0.00 0.00 0.00 175.17 176.35 3gpw h ALA 143 N 3.28 1.98 -0.01 2.11 0.00 -1.99 0.19 119.26 124.82 3gpw h ALA 143 Ca -0.28 0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 3gpw h ALA 143 Cb 1.16 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.98 3gpw h ALA 143 CO 0.40 -0.42 -0.99 -0.44 0.00 0.00 0.00 179.25 177.80 3gpw h ASP 144 N 0.51 0.79 0.00 0.00 5.19 -2.03 -3.38 116.42 117.51 3gpw h ASP 144 Ca 0.62 -0.62 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 3gpw h ASP 144 Cb 1.34 -0.24 -0.10 0.00 0.18 0.00 0.00 39.33 40.51 3gpw h ASP 144 CO -0.40 1.42 -0.53 0.47 -3.12 0.00 0.00 179.24 177.08 3gpw n ASP 14 N -3.83 1.41 0.00 6.45 9.92 -1.14 -5.12 116.55 124.24 3gpw n ASP 14 Ca -0.09 -2.95 0.00 0.00 -0.53 0.00 0.00 54.79 51.22 3gpw n ASP 14 Cb 0.85 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 3gpw n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gpw n GLY 145 N -0.60 1.33 3.76 0.44 0.00 0.04 -4.60 105.19 105.57 3gpw n GLY 145 Ca 0.12 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 3.31 -0.00 1.61 2.02 -1.26 -2.48 117.35 120.55 3gpw s TYR 146 Ca 0.00 1.52 -0.08 0.00 -0.37 0.00 0.00 57.07 58.15 3gpw s TYR 146 Cb 0.00 -3.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.08 3gpw s TYR 146 CO 0.00 -1.26 0.16 -0.65 -1.57 0.00 0.00 175.55 172.23 3gpw s GLN 147 N -1.44 0.48 -0.07 -0.62 -0.21 0.80 -4.98 119.66 113.63 3gpw s GLN 147 Ca 0.48 -0.32 0.01 0.00 0.02 0.00 0.00 55.36 55.55 3gpw s GLN 147 Cb -0.36 0.20 0.02 0.00 1.00 0.00 0.00 33.01 33.87 3gpw s GLN 147 CO 0.46 -0.11 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.25 3gpw s LEU 148 N -1.25 1.47 0.07 2.90 2.96 -1.26 -1.36 118.68 122.21 3gpw s LEU 148 Ca -0.13 -0.25 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 3gpw s LEU 148 Cb -0.07 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 3gpw s LEU 148 CO 0.02 -0.02 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.50 3gpw s PHE 149 N 0.90 1.51 -0.29 5.38 0.08 0.60 -1.68 117.98 124.46 3gpw s PHE 149 Ca -0.11 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.52 3gpw s PHE 149 Cb -0.15 -0.86 0.05 0.00 -0.57 0.00 0.00 43.02 41.50 3gpw s PHE 149 CO 0.01 0.11 -0.02 -1.58 -0.10 0.00 0.00 175.22 173.64 3gpw s HIS 150 N -1.07 3.27 -0.25 0.36 5.65 0.12 -0.65 115.29 122.71 3gpw s HIS 150 Ca 0.03 -1.95 -0.10 0.00 0.25 0.00 0.00 55.06 53.30 3gpw s HIS 150 Cb -0.09 -2.09 -0.05 0.00 -1.18 0.00 0.00 32.58 29.17 3gpw s HIS 150 CO 0.03 -0.82 0.15 0.00 -0.65 0.00 0.00 174.74 173.45 3gpw s ALA 151 N 1.23 3.51 0.30 1.58 0.00 0.14 -2.04 121.76 126.48 3gpw s ALA 151 Ca -0.06 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.01 3gpw s ALA 151 Cb -0.20 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 3gpw s ALA 151 CO -0.02 -0.31 0.13 -1.21 0.00 0.00 0.00 175.76 174.35 3gpw s GLU 152 N 1.30 2.51 0.00 0.00 2.02 -1.02 -1.11 118.70 122.40 3gpw s GLU 152 Ca 0.07 -1.38 0.07 0.00 0.02 0.00 0.00 54.97 53.75 3gpw s GLU 152 Cb -0.14 -2.29 0.36 0.00 0.10 0.00 0.00 34.13 32.16 3gpw s GLU 152 CO 0.06 0.23 1.04 -2.30 0.02 0.00 0.00 175.26 174.32 3gpw n PRO 153 N -1.12 0.12 0.17 0.39 -0.02 -1.26 -1.33 135.00 131.95 3gpw n PRO 153 Ca -0.05 0.18 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 3gpw n PRO 153 Cb 0.60 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.76 3gpw n PRO 153 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gpw h SER 154 N 0.00 0.00 0.00 2.55 4.64 -1.91 -3.40 113.55 115.43 3gpw h SER 154 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gpw h SER 154 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3gpw h SER 154 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3gpw n GLY 155 N 1.16 0.30 3.89 -0.77 0.00 -0.44 -4.69 105.19 104.63 3gpw n GLY 155 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3gpw n GLY 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gpw s THR 156 N -2.10 5.15 -0.02 2.61 -4.23 -1.26 -4.77 115.64 111.02 3gpw s THR 156 Ca 0.00 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 3gpw s THR 156 Cb 0.00 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.24 3gpw s THR 156 CO 0.00 0.11 0.01 0.72 -0.54 0.00 0.00 174.62 174.93 3gpw s PHE 157 N -1.58 0.20 0.12 3.99 -0.12 -1.26 -2.44 117.98 116.89 3gpw s PHE 157 Ca 0.38 0.05 0.06 0.00 -0.05 0.00 0.00 56.93 57.37 3gpw s PHE 157 Cb -0.13 -0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 3gpw s PHE 157 CO 0.22 -0.11 0.01 0.71 -0.05 0.00 0.00 175.22 176.00 3gpw s TYR 158 N 1.02 2.95 -0.13 3.49 2.02 -0.87 -4.89 117.35 120.95 3gpw s TYR 158 Ca -0.10 -0.06 -0.10 0.00 -0.37 0.00 0.00 57.07 56.44 3gpw s TYR 158 Cb -0.13 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.90 3gpw s TYR 158 CO -0.02 0.49 0.21 0.50 -1.57 0.00 0.00 175.55 175.16 3gpw s ARG 159 N -2.55 3.83 0.15 -0.62 3.52 -1.26 -0.71 118.95 121.32 3gpw s ARG 159 Ca 0.26 -0.02 0.05 0.00 -0.13 0.00 0.00 55.73 55.90 3gpw s ARG 159 Cb -0.11 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 3gpw s ARG 159 CO 0.19 0.56 -0.11 0.71 -0.81 0.00 0.00 175.30 175.83 3gpw s TYR 160 N -0.45 1.33 -0.15 5.12 1.51 -0.68 -4.99 117.35 119.04 3gpw s TYR 160 Ca 0.15 -0.71 0.17 0.00 -1.01 0.00 0.00 57.07 55.68 3gpw s TYR 160 Cb -0.13 -0.67 -0.08 0.00 -0.11 0.00 0.00 41.96 40.97 3gpw s TYR 160 CO 0.04 0.13 0.96 -0.91 -1.11 0.00 0.00 175.55 174.66 3gpw h ASN 161 N 2.85 0.00 -4.69 2.29 -0.26 -1.91 -3.37 115.58 110.49 3gpw h ASN 161 Ca -0.37 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.37 3gpw h ASN 161 Cb 1.20 0.00 -0.20 0.00 -1.06 0.00 0.00 38.32 38.26 3gpw h ASN 161 CO 0.62 0.48 0.33 0.00 -1.06 0.00 0.00 177.43 177.79 3gpw s ALA 162 N -2.99 -1.81 -0.17 -0.83 0.00 -1.26 -0.81 121.76 113.88 3gpw s ALA 162 Ca -0.01 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 52.99 3gpw s ALA 162 Cb 0.09 -0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.16 3gpw s ALA 162 CO 0.80 -0.40 0.86 0.21 0.00 0.00 0.00 175.76 177.22 3gpw s LYS 163 N -1.47 0.77 -0.04 0.00 2.47 -0.02 -4.99 119.74 116.46 3gpw s LYS 163 Ca -0.06 0.42 0.03 0.00 -1.56 0.00 0.00 55.97 54.80 3gpw s LYS 163 Cb -0.00 0.36 0.00 0.00 -1.46 0.00 0.00 37.83 36.73 3gpw s LYS 163 CO 0.04 -0.19 -0.13 0.00 0.16 0.00 0.00 175.35 175.24 3gpw s ALA 164 N -0.61 1.17 0.06 3.13 0.00 -1.26 -0.61 121.76 123.64 3gpw s ALA 164 Ca -0.03 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.49 3gpw s ALA 164 Cb -0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3gpw s ALA 164 CO 0.03 0.19 -0.13 0.96 0.00 0.00 0.00 175.76 176.81 3gpw s ILE 165 N 0.18 1.02 0.00 0.00 -4.36 -0.17 -4.73 121.20 113.14 3gpw s ILE 165 Ca -0.05 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 3gpw s ILE 165 Cb -0.11 -0.99 0.00 0.00 1.25 0.00 0.00 42.46 42.62 3gpw s ILE 165 CO 0.01 -0.23 0.00 0.61 0.24 0.00 0.00 174.94 175.58 3gpw n GLY 166 N 1.37 -0.33 0.32 6.27 0.00 -1.26 -0.47 105.19 111.09 3gpw n GLY 166 Ca -0.21 -2.26 0.15 0.00 0.00 0.00 0.00 46.02 43.70 3gpw n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gpw h SER 167 N 0.00 0.29 -0.94 1.61 4.64 -0.30 -1.41 113.55 117.44 3gpw h SER 167 Ca 0.00 0.17 -0.51 0.00 -0.47 0.00 0.00 61.79 60.98 3gpw h SER 167 Cb 0.00 0.17 -0.29 0.00 -0.31 0.00 0.00 62.40 61.97 3gpw h SER 167 CO 0.00 -0.06 0.61 0.61 -0.87 0.00 0.00 176.83 177.11 3gpw n GLY 168 N -1.34 4.77 0.11 -0.77 0.00 -1.26 -4.70 105.19 102.00 3gpw n GLY 168 Ca 0.24 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 3gpw n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gpw h SER 169 N 1.17 0.24 -0.83 1.61 4.64 -1.53 0.43 113.55 119.27 3gpw h SER 169 Ca 0.60 -0.48 0.02 0.00 -0.47 0.00 0.00 61.79 61.46 3gpw h SER 169 Cb 2.43 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 64.41 3gpw h SER 169 CO 1.12 0.67 0.54 1.05 -0.87 0.00 0.00 176.83 179.34 3gpw h GLU 170 N -0.19 1.04 0.49 4.77 9.09 -1.84 0.46 114.58 128.41 3gpw h GLU 170 Ca 0.01 -0.06 -0.02 0.00 0.05 0.00 0.00 59.36 59.34 3gpw h GLU 170 Cb 0.60 -0.23 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 3gpw h GLU 170 CO 0.02 0.69 -0.24 0.78 0.05 0.00 0.00 179.01 180.31 3gpw h GLY 171 N 1.07 -0.69 0.58 1.06 0.00 -1.91 -2.84 103.07 100.34 3gpw h GLY 171 Ca 0.32 0.26 0.11 0.00 0.00 0.00 0.00 47.33 48.02 3gpw h GLY 171 CO -0.10 -0.25 0.61 0.00 0.00 0.00 0.00 176.54 176.80 3gpw h ALA 172 N -0.91 1.58 -0.62 3.60 0.00 -0.77 -1.63 119.26 120.50 3gpw h ALA 172 Ca -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3gpw h ALA 172 Cb 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3gpw h ALA 172 CO 0.11 0.21 0.17 0.37 0.00 0.00 0.00 179.25 180.11 3gpw h GLN 173 N 0.95 0.95 -0.82 0.00 5.75 -0.12 -0.83 115.11 120.99 3gpw h GLN 173 Ca 0.46 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.73 3gpw h GLN 173 Cb 0.46 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 3gpw h GLN 173 CO -0.22 0.83 0.37 0.00 -2.65 0.00 0.00 178.83 177.16 3gpw h ALA 174 N 1.27 1.11 0.36 3.38 0.00 -1.05 -0.93 119.26 123.40 3gpw h ALA 174 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gpw h ALA 174 Cb 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gpw h ALA 174 CO -0.00 0.66 -0.17 1.49 0.00 0.00 0.00 179.25 181.22 3gpw h GLU 175 N 1.17 -0.47 -0.69 0.00 4.57 -0.95 -2.79 114.58 115.43 3gpw h GLU 175 Ca 0.28 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.64 3gpw h GLU 175 Cb 0.15 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3gpw h GLU 175 CO -0.03 -0.24 0.47 -0.07 -1.18 0.00 0.00 179.01 177.95 3gpw h LEU 176 N -0.61 0.26 -0.81 1.64 3.38 -0.88 -0.76 115.31 117.53 3gpw h LEU 176 Ca -0.05 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3gpw h LEU 176 Cb 0.44 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3gpw h LEU 176 CO 0.08 0.13 0.52 0.25 0.09 0.00 0.00 178.44 179.52 3gpw h LEU 177 N 0.27 0.86 0.07 1.67 7.12 -0.89 -1.21 115.31 123.19 3gpw h LEU 177 Ca 0.33 -0.00 -0.29 0.00 0.13 0.00 0.00 57.88 58.05 3gpw h LEU 177 Cb 0.92 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.84 3gpw h LEU 177 CO -0.08 0.59 -1.51 0.78 -0.13 0.00 0.00 178.44 178.09 3gpw h ASN 178 N 1.01 0.22 0.57 1.25 2.35 -1.15 -3.38 115.58 116.44 3gpw h ASN 178 Ca 0.33 -0.33 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 3gpw h ASN 178 Cb 0.02 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 3gpw h ASN 178 CO -0.12 1.28 -1.08 -0.33 -1.65 0.00 0.00 177.43 175.53 3gpw h GLU 179 N 0.04 0.28 -6.73 0.81 4.39 -1.12 -3.46 114.58 108.78 3gpw h GLU 179 Ca -0.22 -0.39 -0.51 0.00 0.34 0.00 0.00 59.36 58.58 3gpw h GLU 179 Cb 1.97 0.13 0.02 0.00 -0.10 0.00 0.00 28.75 30.77 3gpw h GLU 179 CO 0.13 1.13 0.53 -0.46 -1.16 0.00 0.00 179.01 179.18 3gpw s TRP 180 N -2.93 3.45 0.00 4.33 -0.00 -0.47 -5.06 118.94 118.27 3gpw s TRP 180 Ca -0.04 1.52 0.00 0.00 -0.00 0.00 0.00 56.10 57.58 3gpw s TRP 180 Cb 0.08 -3.40 0.00 0.00 -0.00 0.00 0.00 33.47 30.16 3gpw s TRP 180 CO 0.87 -1.02 0.00 -2.39 -0.00 0.00 0.00 176.95 174.41 3gpw n HIS 18 N 1.90 0.00 -0.10 5.86 1.44 -1.26 -4.98 115.22 118.07 3gpw n HIS 18 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 3gpw n HIS 18 Cb 0.44 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.55 3gpw n HIS 18 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 3gpw n SER 18 N 0.00 0.00 -4.75 4.39 3.41 -1.26 -4.97 113.62 110.44 3gpw n SER 18 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 3gpw n SER 18 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 3gpw n SER 18 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gpw s LEU 184 N 0.00 3.81 0.36 1.04 1.43 -1.26 -5.01 118.68 119.05 3gpw s LEU 184 Ca 0.00 2.66 0.03 0.00 -1.03 0.00 0.00 54.13 55.79 3gpw s LEU 184 Cb 0.00 -4.35 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 3gpw s LEU 184 CO 0.00 -1.56 0.53 0.42 0.23 0.00 0.00 176.35 175.97 3gpw s THR 185 N -1.37 4.48 0.21 5.49 -4.23 -1.26 -4.46 115.64 114.50 3gpw s THR 185 Ca 0.73 -0.72 -0.10 0.00 -1.18 0.00 0.00 61.69 60.42 3gpw s THR 185 Cb -0.38 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 69.99 3gpw s THR 185 CO 0.44 -0.33 1.80 0.25 -0.54 0.00 0.00 174.62 176.24 3gpw h LEU 186 N 0.76 0.52 -1.02 4.79 5.85 -1.92 -1.33 115.31 122.95 3gpw h LEU 186 Ca -0.48 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.30 3gpw h LEU 186 Cb 1.24 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3gpw h LEU 186 CO 0.57 0.33 0.66 0.11 -0.34 0.00 0.00 178.44 179.78 3gpw h LYS 187 N 0.65 1.28 0.17 1.25 1.57 -1.97 -0.69 116.57 118.84 3gpw h LYS 187 Ca 0.29 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3gpw h LYS 187 Cb 0.20 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3gpw h LYS 187 CO -0.19 0.85 -0.08 0.93 -0.57 0.00 0.00 179.45 180.39 3gpw h GLU 188 N 1.32 -0.23 -0.81 3.15 5.08 -1.73 -2.10 114.58 119.27 3gpw h GLU 188 Ca 0.38 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.87 3gpw h GLU 188 Cb -0.09 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.13 3gpw h GLU 188 CO -0.10 -0.04 0.43 0.00 -1.00 0.00 0.00 179.01 178.30 3gpw h ALA 189 N 0.43 1.18 0.49 3.43 0.00 -0.88 0.16 119.26 124.07 3gpw h ALA 189 Ca -0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gpw h ALA 189 Cb 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gpw h ALA 189 CO 0.04 -0.03 -0.44 0.93 0.00 0.00 0.00 179.25 179.75 3gpw h GLU 190 N 0.66 -0.89 -0.40 0.00 5.08 -0.85 0.95 114.58 119.13 3gpw h GLU 190 Ca 0.42 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.90 3gpw h GLU 190 Cb 0.51 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 3gpw h GLU 190 CO -0.31 -0.60 0.11 -0.07 -1.00 0.00 0.00 179.01 177.15 3gpw h LEU 191 N -0.93 0.08 -0.77 1.33 4.07 -0.84 -0.25 115.31 118.00 3gpw h LEU 191 Ca -0.05 0.06 0.12 0.00 0.08 0.00 0.00 57.88 58.08 3gpw h LEU 191 Cb 0.80 0.06 -0.08 0.00 1.08 0.00 0.00 40.66 42.52 3gpw h LEU 191 CO -0.03 0.08 0.37 0.25 -1.08 0.00 0.00 178.44 178.03 3gpw h LEU 192 N 0.26 0.45 -0.25 1.67 5.85 -0.39 0.60 115.31 123.51 3gpw h LEU 192 Ca 0.19 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 3gpw h LEU 192 Cb 0.21 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3gpw h LEU 192 CO -0.22 0.22 -0.35 0.58 -0.34 0.00 0.00 178.44 178.33 3gpw h VAL 193 N 0.59 1.31 -0.70 1.05 2.07 -0.25 -1.86 116.25 118.45 3gpw h VAL 193 Ca 0.40 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3gpw h VAL 193 Cb 0.50 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3gpw h VAL 193 CO -0.32 0.49 0.45 0.25 0.02 0.00 0.00 177.57 178.45 3gpw h LEU 194 N 0.39 0.82 0.28 2.57 5.85 0.07 -1.83 115.31 123.46 3gpw h LEU 194 Ca 0.03 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3gpw h LEU 194 Cb 0.93 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3gpw h LEU 194 CO 0.08 0.61 -0.14 0.50 -0.34 0.00 0.00 178.44 179.15 3gpw h LYS 195 N 0.96 -0.37 -0.78 1.25 3.64 0.34 -2.84 116.57 118.76 3gpw h LYS 195 Ca 0.26 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.70 3gpw h LYS 195 Cb -0.08 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3gpw h LYS 195 CO -0.05 -0.02 0.52 0.82 -2.27 0.00 0.00 179.45 178.44 3gpw h ILE 196 N -0.83 1.10 -0.38 2.00 1.08 -1.24 -1.55 117.51 117.68 3gpw h ILE 196 Ca -0.04 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 3gpw h ILE 196 Cb 0.51 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 3gpw h ILE 196 CO 0.06 0.17 0.24 -0.07 -0.69 0.00 0.00 178.15 177.87 3gpw h LEU 197 N 0.94 0.44 -1.40 1.44 3.38 -1.38 -2.22 115.31 116.51 3gpw h LEU 197 Ca 0.32 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.32 3gpw h LEU 197 Cb 0.09 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3gpw h LEU 197 CO -0.10 0.34 0.46 0.50 0.09 0.00 0.00 178.44 179.73 3gpw h LYS 198 N 0.51 0.72 -0.34 1.13 3.64 -1.05 0.12 116.57 121.29 3gpw h LYS 198 Ca 0.14 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 3gpw h LYS 198 Cb -0.03 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3gpw h LYS 198 CO -0.03 0.47 -0.35 1.96 -2.27 0.00 0.00 179.45 179.24 3gpw h GLN 199 N 0.74 0.84 0.00 1.90 4.20 -0.81 -3.31 115.11 118.66 3gpw h GLN 199 Ca 0.30 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3gpw h GLN 199 Cb 0.23 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3gpw h GLN 199 CO -0.10 1.08 -0.99 1.33 -0.67 0.00 0.00 178.83 179.49 3gpw n VAL 200 N -4.15 0.58 -2.24 -0.54 0.24 -0.95 -4.92 118.33 106.35 3gpw n VAL 200 Ca -0.03 -0.52 -0.40 0.00 -2.04 0.00 0.00 64.34 61.35 3gpw n VAL 200 Cb 0.52 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 3gpw n VAL 200 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3gpw s MET 201 N -3.35 4.39 0.06 7.34 -1.94 0.40 -4.82 119.30 121.39 3gpw s MET 201 Ca 0.00 2.05 -0.19 0.00 -1.71 0.00 0.00 55.69 55.84 3gpw s MET 201 Cb 0.10 -3.05 -0.11 0.00 2.01 0.00 0.00 34.83 33.78 3gpw s MET 201 CO 0.79 -0.10 1.41 0.93 -0.01 0.00 0.00 175.02 178.05 3gpw h GLU 202 N 3.40 0.45 -7.43 2.03 4.39 -1.90 -3.45 114.58 112.07 3gpw h GLU 202 Ca -0.48 -0.20 -0.49 0.00 0.34 0.00 0.00 59.36 58.52 3gpw h GLU 202 Cb 1.22 -0.01 0.08 0.00 -0.10 0.00 0.00 28.75 29.94 3gpw h GLU 202 CO 0.65 0.75 0.38 -1.21 -1.16 0.00 0.00 179.01 178.42 3gpw s GLU 205 N -4.53 2.85 -0.39 2.33 0.41 -1.26 -5.00 118.70 113.12 3gpw s GLU 205 Ca -0.14 0.39 -0.28 0.00 -0.41 0.00 0.00 54.97 54.53 3gpw s GLU 205 Cb 0.07 -2.05 0.02 0.00 -1.78 0.00 0.00 34.13 30.38 3gpw s GLU 205 CO 0.76 -1.00 1.07 0.21 -0.49 0.00 0.00 175.26 175.81 3gpw s LYS 206 N -5.31 3.89 0.05 1.61 2.20 -1.26 -4.96 119.74 115.95 3gpw s LYS 206 Ca 0.58 0.79 -0.34 0.00 -0.36 0.00 0.00 55.97 56.64 3gpw s LYS 206 Cb -0.11 -3.81 -0.13 0.00 -1.51 0.00 0.00 37.83 32.27 3gpw s LYS 206 CO 0.51 -1.09 1.74 -0.11 -0.36 0.00 0.00 175.35 176.04 3gpw n LEU 207 N 7.21 3.36 -4.22 5.43 0.00 -1.26 -4.96 117.00 122.56 3gpw n LEU 207 Ca 0.11 1.02 -0.15 0.00 0.00 0.00 0.00 56.01 56.99 3gpw n LEU 207 Cb 0.48 -1.42 -0.09 0.00 0.00 0.00 0.00 43.42 42.40 3gpw n LEU 207 CO 0.64 -0.13 -0.14 1.51 0.00 0.00 0.00 177.39 179.26 3gpw s ASP 208 N 2.49 0.79 0.00 1.96 -4.77 -1.26 -5.06 116.67 110.83 3gpw s ASP 208 Ca 0.85 -1.52 -0.02 0.00 -3.30 0.00 0.00 52.55 48.56 3gpw s ASP 208 Cb -0.66 0.48 -0.10 0.00 -1.09 0.00 0.00 42.92 41.55 3gpw s ASP 208 CO 0.44 -0.97 1.86 -1.84 0.70 0.00 0.00 175.17 175.36 3gpw n GLU 209 N -0.43 0.93 0.00 2.11 0.00 -1.26 -3.17 120.64 118.82 3gpw n GLU 209 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 57.16 56.83 3gpw n GLU 209 Cb 0.64 -1.59 0.00 0.00 0.00 0.00 0.00 31.44 30.49 3gpw n GLU 209 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3gpw n ASN 20 N 2.38 0.00 -3.81 -1.84 0.23 -1.26 -4.73 115.26 106.23 3gpw n ASN 20 Ca 0.16 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.09 3gpw n ASN 20 Cb 0.43 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.04 3gpw n ASN 20 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gpw s ALA 210 N 0.00 -0.57 -0.05 -2.53 0.00 -1.19 -0.49 121.76 116.93 3gpw s ALA 210 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 3gpw s ALA 210 Cb 0.00 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.25 3gpw s ALA 210 CO 0.00 -0.25 0.14 -1.14 0.00 0.00 0.00 175.76 174.51 3gpw s GLN 211 N -1.48 0.15 0.37 0.00 0.74 -0.87 -4.90 119.66 113.66 3gpw s GLN 211 Ca -0.13 0.23 0.08 0.00 0.05 0.00 0.00 55.36 55.58 3gpw s GLN 211 Cb -0.06 0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.05 3gpw s GLN 211 CO 0.02 -0.05 0.21 -0.51 -0.55 0.00 0.00 175.29 174.41 3gpw s LEU 212 N 0.28 3.30 -0.06 3.68 1.43 -1.26 -1.48 118.68 124.56 3gpw s LEU 212 Ca -0.02 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 51.98 3gpw s LEU 212 Cb -0.03 -1.79 0.12 0.00 0.03 0.00 0.00 46.19 44.52 3gpw s LEU 212 CO -0.01 -0.41 1.18 -0.94 0.23 0.00 0.00 176.35 176.40 3gpw s SER 213 N -3.92 -0.14 0.34 2.29 1.04 -0.50 -1.98 113.70 110.83 3gpw s SER 213 Ca 0.40 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.60 3gpw s SER 213 Cb -0.02 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.35 3gpw s SER 213 CO 0.24 -0.38 0.67 0.00 0.98 0.00 0.00 173.24 174.75 3gpw s ILE 215 N -2.98 -0.21 0.10 0.00 -1.16 -0.74 -1.00 121.20 115.22 3gpw s ILE 215 Ca 0.19 0.31 0.08 0.00 -0.51 0.00 0.00 60.65 60.72 3gpw s ILE 215 Cb -0.04 -0.28 -0.03 0.00 0.61 0.00 0.00 42.46 42.72 3gpw s ILE 215 CO 0.12 0.13 -0.21 0.42 -2.81 0.00 0.00 174.94 172.59 3gpw s THR 216 N 2.00 1.75 0.30 4.00 -4.23 -1.09 -2.27 115.64 116.10 3gpw s THR 216 Ca -0.00 -1.52 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 3gpw s THR 216 Cb -0.12 -1.58 0.29 0.00 1.34 0.00 0.00 72.50 72.44 3gpw s THR 216 CO -0.06 -0.02 1.86 0.50 -0.54 0.00 0.00 174.62 176.36 3gpw h LYS 217 N 4.15 0.91 0.21 3.99 3.64 -1.90 0.73 116.57 128.31 3gpw h LYS 217 Ca -0.46 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 3gpw h LYS 217 Cb 1.18 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3gpw h LYS 217 CO 0.40 0.60 -0.10 0.37 -2.27 0.00 0.00 179.45 178.45 3gpw h GLN 218 N 0.93 -0.28 -0.02 1.90 4.15 -1.97 -3.37 115.11 116.45 3gpw h GLN 218 Ca 0.47 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.91 3gpw h GLN 218 Cb 0.49 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3gpw h GLN 218 CO -0.23 0.10 -0.04 -0.25 -1.93 0.00 0.00 178.83 176.47 3gpw n ASP 219 N -5.02 2.03 -0.11 -0.69 9.92 -1.16 -5.10 116.55 116.42 3gpw n ASP 219 Ca -0.09 -1.52 0.00 0.00 -0.53 0.00 0.00 54.79 52.66 3gpw n ASP 219 Cb 0.26 0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 3gpw n ASP 219 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gpw n GLY 220 N 0.82 -0.90 3.70 0.44 0.00 0.25 -4.78 105.19 104.72 3gpw n GLY 220 Ca 0.08 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3gpw n GLY 220 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gpw s PHE 221 N 0.00 3.28 0.01 1.61 2.19 0.45 -2.67 117.98 122.85 3gpw s PHE 221 Ca 0.00 1.23 0.01 0.00 0.33 0.00 0.00 56.93 58.50 3gpw s PHE 221 Cb 0.00 -3.43 -0.01 0.00 -1.31 0.00 0.00 43.02 38.27 3gpw s PHE 221 CO 0.00 -1.36 -0.04 0.15 1.83 0.00 0.00 175.22 175.80 3gpw s LYS 222 N 1.70 0.29 -0.28 10.12 -0.14 -0.17 -4.99 119.74 126.27 3gpw s LYS 222 Ca 0.58 -0.27 -0.09 0.00 -1.36 0.00 0.00 55.97 54.82 3gpw s LYS 222 Cb -0.27 -0.19 -0.03 0.00 -1.68 0.00 0.00 37.83 35.66 3gpw s LYS 222 CO 0.26 0.05 0.13 0.42 -0.76 0.00 0.00 175.35 175.44 3gpw s ILE 223 N -0.46 4.65 0.19 2.17 1.01 -1.26 -1.87 121.20 125.63 3gpw s ILE 223 Ca -0.03 -0.18 -0.32 0.00 0.00 0.00 0.00 60.65 60.13 3gpw s ILE 223 Cb -0.04 -3.25 -0.11 0.00 0.01 0.00 0.00 42.46 39.07 3gpw s ILE 223 CO -0.00 0.22 1.65 -0.31 0.00 0.00 0.00 174.94 176.50 3gpw s TYR 224 N 1.65 2.97 0.69 3.97 4.12 -0.84 -4.98 117.35 124.93 3gpw s TYR 224 Ca 0.06 0.47 -0.11 0.00 0.02 0.00 0.00 57.07 57.51 3gpw s TYR 224 Cb -0.16 -4.05 0.00 0.00 -1.52 0.00 0.00 41.96 36.24 3gpw s TYR 224 CO 0.06 -3.91 1.06 0.16 0.02 0.00 0.00 175.55 172.94 3gpw s ASP 225 N 1.15 5.52 0.28 2.29 -4.77 -1.26 -4.63 116.67 115.25 3gpw s ASP 225 Ca 0.73 1.52 0.01 0.00 -3.30 0.00 0.00 52.55 51.51 3gpw s ASP 225 Cb -0.47 -2.43 0.65 0.00 -1.09 0.00 0.00 42.92 39.58 3gpw s ASP 225 CO 0.32 -1.34 1.71 0.78 0.70 0.00 0.00 175.17 177.34 3gpw h ASN 226 N -0.65 0.34 -0.65 2.11 -0.26 -1.94 -1.45 115.58 113.08 3gpw h ASN 226 Ca -0.44 0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.42 3gpw h ASN 226 Cb 1.21 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 38.55 3gpw h ASN 226 CO 0.59 0.05 0.36 -0.33 -1.06 0.00 0.00 177.43 177.04 3gpw h GLU 227 N 0.44 0.91 -0.75 0.81 3.07 -1.92 0.21 114.58 117.35 3gpw h GLU 227 Ca 0.52 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 59.25 3gpw h GLU 227 Cb 0.91 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 3gpw h GLU 227 CO -0.48 0.68 0.37 -0.22 -1.40 0.00 0.00 179.01 177.96 3gpw h LYS 228 N 0.89 1.08 -0.14 2.33 3.64 -1.64 -2.99 116.57 119.74 3gpw h LYS 228 Ca 0.23 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 3gpw h LYS 228 Cb 0.04 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3gpw h LYS 228 CO -0.04 0.84 -0.38 1.15 -2.27 0.00 0.00 179.45 178.75 3gpw h THR 229 N 1.05 1.36 -0.85 1.00 2.02 -1.14 -3.08 112.91 113.28 3gpw h THR 229 Ca 0.26 -1.66 0.20 0.00 0.77 0.00 0.00 66.41 65.97 3gpw h THR 229 Cb 0.11 2.06 -0.12 0.00 -1.74 0.00 0.00 68.15 68.46 3gpw h THR 229 CO -0.03 0.50 0.33 0.00 0.37 0.00 0.00 175.52 176.69 3gpw h ALA 230 N 0.53 1.29 -0.46 6.16 0.00 -0.88 0.23 119.26 126.12 3gpw h ALA 230 Ca -0.01 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3gpw h ALA 230 Cb 0.99 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3gpw h ALA 230 CO 0.08 -0.32 0.15 0.93 0.00 0.00 0.00 179.25 180.08 3gpw h GLU 231 N 0.38 0.72 0.00 0.00 5.08 -1.54 -1.24 114.58 117.98 3gpw h GLU 231 Ca 0.51 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 3gpw h GLU 231 Cb 0.93 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3gpw h GLU 231 CO -0.52 0.69 -0.15 -0.07 -1.00 0.00 0.00 179.01 177.96 3gpw h LEU 232 N 0.62 0.00 -0.09 1.33 3.38 -0.63 -0.62 115.31 119.29 3gpw h LEU 232 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3gpw h LEU 232 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3gpw h LEU 232 CO -0.00 0.15 -0.22 0.40 0.09 0.00 0.00 178.44 178.86 3gpw h ILE 233 N 0.00 1.40 -0.68 1.22 2.04 -0.04 -2.49 117.51 118.96 3gpw h ILE 233 Ca -0.00 -1.54 0.04 0.00 1.00 0.00 0.00 64.86 64.36 3gpw h ILE 233 Cb 0.32 2.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 3gpw h ILE 233 CO 0.02 0.44 0.40 0.50 0.00 0.00 0.00 178.15 179.51 3gpw h LYS 235 N -0.16 0.75 0.00 2.37 3.64 -0.78 -0.84 116.57 121.56 3gpw h LYS 235 Ca -0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3gpw h LYS 235 Cb 0.82 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3gpw h LYS 235 CO 0.05 0.49 -0.05 1.49 -2.27 0.00 0.00 179.45 179.16 3gpw h GLU 236 N 0.77 0.00 0.00 1.90 4.81 -1.07 -2.26 114.58 118.73 3gpw h GLU 236 Ca 0.29 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 3gpw h GLU 236 Cb 0.10 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.49 3gpw h GLU 236 CO -0.14 0.05 -0.26 1.25 -0.73 0.00 0.00 179.01 179.18 3gpw h LEU 237 N 0.00 0.23 -1.00 1.64 6.46 -0.71 -2.76 115.31 119.17 3gpw h LEU 237 Ca -0.00 -0.79 0.11 0.00 -0.12 0.00 0.00 57.88 57.09 3gpw h LEU 237 Cb 0.10 -0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 39.88 3gpw h LEU 237 CO 0.01 0.98 0.63 0.50 -0.62 0.00 0.00 178.44 179.94 3gpw h LYS 238 N -0.51 0.99 -0.27 1.25 3.64 -1.02 -0.69 116.57 119.95 3gpw h LYS 238 Ca -0.03 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 3gpw h LYS 238 Cb 1.03 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3gpw h LYS 238 CO 0.05 0.65 -0.06 0.93 -2.27 0.00 0.00 179.45 178.75 3gpw h GLU 239 N 1.02 0.52 0.00 1.90 5.08 -1.46 -0.92 114.58 120.70 3gpw h GLU 239 Ca 0.49 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 3gpw h GLU 239 Cb 0.45 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3gpw h GLU 239 CO -0.26 0.72 -0.15 0.87 -1.00 0.00 0.00 179.01 179.19 3gpw h LYS 240 N 0.27 0.00 0.10 2.33 1.57 -1.09 -1.77 116.57 117.98 3gpw h LYS 240 Ca 0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 3gpw h LYS 240 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 3gpw h LYS 240 CO 0.03 0.15 -0.59 0.93 -0.57 0.00 0.00 179.45 179.40 3gpw h GLU 241 N 0.00 0.21 0.00 3.15 5.08 -1.01 -3.17 114.58 118.84 3gpw h GLU 241 Ca -0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3gpw h GLU 241 Cb 0.61 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3gpw h GLU 241 CO 0.02 1.17 0.00 0.00 -1.00 0.00 0.00 179.01 179.20 3gpw n ALA 242 N -2.66 1.50 0.86 3.43 0.00 -0.36 -2.12 120.51 121.15 3gpw n ALA 242 Ca -0.13 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.46 3gpw n ALA 242 Cb 0.73 -1.30 0.46 0.00 0.00 0.00 0.00 19.45 19.34 3gpw n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gpw n ALA 243 N -1.68 1.98 0.00 0.00 0.00 -0.67 -5.08 120.51 115.06 3gpw n ALA 243 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3gpw n ALA 243 Cb 0.16 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3gpw n ALA 243 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89