#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gn3 h HIS 2 N 0.00 0.83 0.00 2.03 -0.00 -1.99 -3.19 115.15 112.82 3gn3 h HIS 2 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3gn3 h HIS 2 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.13 3gn3 h HIS 2 CO 0.00 0.51 0.02 -1.13 -0.00 0.00 0.00 177.93 177.33 3gn3 n SER 3 N -4.44 0.46 -1.22 2.45 3.41 -1.26 -3.31 113.62 109.71 3gn3 n SER 3 Ca 0.07 0.71 0.03 0.00 -0.26 0.00 0.00 58.87 59.42 3gn3 n SER 3 Cb 0.07 -0.76 0.01 0.00 -0.26 0.00 0.00 64.21 63.27 3gn3 n SER 3 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gn3 n ASP 4 N -2.12 0.69 0.26 4.04 3.85 -1.21 -4.88 116.55 117.18 3gn3 n ASP 4 Ca -0.01 -1.99 -0.15 0.00 -0.71 0.00 0.00 54.79 51.93 3gn3 n ASP 4 Cb 0.05 -0.26 -0.08 0.00 -1.35 0.00 0.00 41.12 39.48 3gn3 n ASP 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gn3 h ALA 5 N 0.71 -0.67 -0.33 2.12 0.00 -1.67 -3.34 119.26 116.08 3gn3 h ALA 5 Ca -0.17 -0.19 -0.72 0.00 0.00 0.00 0.00 54.91 53.82 3gn3 h ALA 5 Cb 1.75 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.73 3gn3 h ALA 5 CO 0.07 -0.75 2.84 1.28 0.00 0.00 0.00 179.25 182.68 3gn3 n LEU 6 N -5.29 7.16 -3.92 0.00 4.32 -1.26 -4.68 117.00 113.33 3gn3 n LEU 6 Ca -0.11 -4.39 -0.16 0.00 -0.02 0.00 0.00 56.01 51.33 3gn3 n LEU 6 Cb 0.31 -1.57 -0.15 0.00 -1.62 0.00 0.00 43.42 40.40 3gn3 n LEU 6 CO 0.32 1.40 -0.40 -0.55 -1.22 0.00 0.00 177.39 176.94 3gn3 s SER 7 N 2.12 0.59 0.01 -1.43 0.15 -1.26 -1.49 113.70 112.40 3gn3 s SER 7 Ca 0.48 -0.08 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 3gn3 s SER 7 Cb 0.14 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 3gn3 s SER 7 CO -0.06 0.02 0.04 0.26 1.20 0.00 0.00 173.24 174.70 3gn3 s TRP 8 N 0.21 0.18 0.00 3.44 0.51 -0.18 -5.00 118.94 118.10 3gn3 s TRP 8 Ca -0.02 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.57 3gn3 s TRP 8 Cb -0.06 -0.14 0.00 0.00 -0.81 0.00 0.00 33.47 32.47 3gn3 s TRP 8 CO -0.00 -0.24 0.00 0.41 -0.51 0.00 0.00 176.95 176.61 3gn3 n GLY 9 N 1.47 -1.17 0.41 0.98 0.00 -1.26 -0.37 105.19 105.24 3gn3 n GLY 9 Ca -0.23 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3gn3 n GLY 9 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gn3 n HIS 10 N -1.44 0.00 -1.45 1.61 1.44 -0.45 -4.74 115.22 110.20 3gn3 n HIS 10 Ca 0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 3gn3 n HIS 10 Cb 0.00 0.00 0.12 0.00 0.12 0.00 0.00 29.99 30.23 3gn3 n HIS 10 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3gn3 s GLY 11 N -0.68 1.60 0.25 -1.39 0.00 0.06 -4.87 107.32 102.29 3gn3 s GLY 11 Ca 0.00 -0.29 0.24 0.00 0.00 0.00 0.00 44.72 44.67 3gn3 s GLY 11 CO 0.00 0.21 1.45 -0.56 0.00 0.00 0.00 173.10 174.20 3gn3 h PRO 12 N -1.36 0.00 -5.76 2.90 0.13 -1.71 -3.24 132.00 122.95 3gn3 h PRO 12 Ca -0.49 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 3gn3 h PRO 12 Cb 1.29 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.34 3gn3 h PRO 12 CO 0.59 0.00 0.43 1.03 -0.23 0.00 0.00 178.00 179.82 3gn3 s ARG 13 N -3.21 4.18 -0.25 0.86 0.52 -0.76 -4.92 118.95 115.37 3gn3 s ARG 13 Ca 0.06 0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 56.01 3gn3 s ARG 13 Cb 0.10 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 3gn3 s ARG 13 CO 0.69 -0.50 0.42 -1.17 0.02 0.00 0.00 175.30 174.76 3gn3 s LEU 14 N 2.77 4.06 -0.33 2.53 2.96 -1.26 -1.20 118.68 128.20 3gn3 s LEU 14 Ca 0.34 0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 3gn3 s LEU 14 Cb -0.15 -2.51 0.06 0.00 0.50 0.00 0.00 46.19 44.09 3gn3 s LEU 14 CO 0.08 -0.19 0.07 0.12 -1.32 0.00 0.00 176.35 175.10 3gn3 s PHE 15 N 1.99 3.35 -0.13 5.38 5.36 0.60 -0.07 117.98 134.46 3gn3 s PHE 15 Ca 0.17 -1.94 -0.03 0.00 -0.96 0.00 0.00 56.93 54.17 3gn3 s PHE 15 Cb -0.16 -2.41 -0.03 0.00 -0.34 0.00 0.00 43.02 40.08 3gn3 s PHE 15 CO 0.09 -0.83 -0.02 -1.21 -1.46 0.00 0.00 175.22 171.79 3gn3 s GLU 16 N 1.25 3.40 -0.09 10.12 2.02 0.16 -1.16 118.70 134.39 3gn3 s GLU 16 Ca -0.01 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.51 3gn3 s GLU 16 Cb -0.20 -2.86 0.02 0.00 0.10 0.00 0.00 34.13 31.18 3gn3 s GLU 16 CO -0.01 0.42 -0.12 0.08 0.02 0.00 0.00 175.26 175.64 3gn3 s VAL 17 N -0.11 1.22 -0.26 2.63 1.01 -0.34 0.52 120.40 125.08 3gn3 s VAL 17 Ca 0.03 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 3gn3 s VAL 17 Cb -0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3gn3 s VAL 17 CO 0.02 0.38 0.39 -0.36 0.00 0.00 0.00 175.10 175.54 3gn3 s PHE 18 N 1.02 3.27 -0.05 5.22 0.08 -0.13 -1.16 117.98 126.24 3gn3 s PHE 18 Ca -0.07 0.47 0.04 0.00 0.12 0.00 0.00 56.93 57.48 3gn3 s PHE 18 Cb -0.15 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.73 3gn3 s PHE 18 CO -0.01 -0.20 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.25 3gn3 s LEU 19 N 1.96 1.87 -0.31 -0.37 1.43 0.01 -2.56 118.68 120.71 3gn3 s LEU 19 Ca 0.16 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 3gn3 s LEU 19 Cb -0.16 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 3gn3 s LEU 19 CO 0.09 0.13 0.41 -0.70 0.23 0.00 0.00 176.35 176.51 3gn3 s GLU 20 N 0.16 3.80 0.61 1.70 2.56 -1.23 -0.19 118.70 126.10 3gn3 s GLU 20 Ca -0.06 -0.12 0.31 0.00 0.00 0.00 0.00 54.97 55.10 3gn3 s GLU 20 Cb -0.12 -3.73 1.76 0.00 2.00 0.00 0.00 34.13 34.04 3gn3 s GLU 20 CO 0.02 -0.44 2.11 -1.35 -0.56 0.00 0.00 175.26 175.05 3gn3 h PRO 21 N 8.31 0.00 -0.27 4.30 0.11 -1.96 -1.16 132.00 141.33 3gn3 h PRO 21 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3gn3 h PRO 21 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gn3 h PRO 21 CO 0.69 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.73 3gn3 n THR 22 N -3.58 2.16 -3.57 -1.15 -2.24 -1.26 -4.25 114.28 100.40 3gn3 n THR 22 Ca 0.01 -1.79 -0.36 0.00 -2.27 0.00 0.00 64.05 59.63 3gn3 n THR 22 Cb 0.30 -0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.28 3gn3 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gn3 h PRO 24 N 6.66 1.01 -0.21 0.00 0.13 -1.94 -0.17 132.00 137.48 3gn3 h PRO 24 Ca -0.41 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.50 3gn3 h PRO 24 Cb 1.16 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3gn3 h PRO 24 CO 0.76 0.67 -0.52 0.74 -0.23 0.00 0.00 178.00 179.41 3gn3 h PHE 25 N 1.04 0.73 -0.08 1.56 0.04 -1.94 -2.10 116.94 116.18 3gn3 h PHE 25 Ca 0.39 -0.25 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 3gn3 h PHE 25 Cb 0.17 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 3gn3 h PHE 25 CO -0.02 0.98 0.04 0.77 -0.60 0.00 0.00 178.31 179.48 3gn3 h SER 26 N 0.46 0.10 -0.28 2.17 0.02 -1.55 -1.65 113.55 112.83 3gn3 h SER 26 Ca 0.02 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3gn3 h SER 26 Cb 1.06 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.51 3gn3 h SER 26 CO 0.10 0.18 -0.15 0.58 -1.14 0.00 0.00 176.83 176.40 3gn3 h VAL 27 N 0.02 0.55 -0.36 2.27 2.07 -0.97 0.39 116.25 120.22 3gn3 h VAL 27 Ca 0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3gn3 h VAL 27 Cb 0.10 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 3gn3 h VAL 27 CO -0.00 0.00 -0.19 0.50 0.02 0.00 0.00 177.57 177.89 3gn3 h LYS 28 N -0.12 -0.13 -0.37 1.57 3.64 -1.28 -0.31 116.57 119.57 3gn3 h LYS 28 Ca 0.15 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3gn3 h LYS 28 Cb 0.34 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3gn3 h LYS 28 CO -0.35 -0.09 -0.07 0.00 -2.27 0.00 0.00 179.45 176.66 3gn3 h ALA 29 N 1.09 1.17 0.28 5.00 0.00 -0.61 -3.16 119.26 123.02 3gn3 h ALA 29 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gn3 h ALA 29 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gn3 h ALA 29 CO -0.44 0.53 -0.13 0.35 0.00 0.00 0.00 179.25 179.55 3gn3 h PHE 30 N 0.58 -0.34 0.00 0.00 3.57 0.82 -1.33 116.94 120.25 3gn3 h PHE 30 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3gn3 h PHE 30 Cb 0.48 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3gn3 h PHE 30 CO 0.02 -0.21 0.00 1.19 -2.23 0.00 0.00 178.31 177.08 3gn3 n PHE 31 N -5.25 0.00 0.62 0.41 3.72 -0.23 -1.80 117.46 114.93 3gn3 n PHE 31 Ca -0.10 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.37 3gn3 n PHE 31 Cb 0.17 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.72 3gn3 n PHE 31 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3gn3 n LYS 32 N -0.94 1.66 0.14 -1.08 5.02 -0.51 -4.63 118.16 117.82 3gn3 n LYS 32 Ca 0.03 -0.87 -0.01 0.00 -2.02 0.00 0.00 58.31 55.44 3gn3 n LYS 32 Cb 0.01 -1.22 0.20 0.00 -0.02 0.00 0.00 35.03 34.00 3gn3 n LYS 32 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gn3 h LEU 33 N 1.82 0.00 0.26 -0.35 3.38 -1.28 -0.75 115.31 118.39 3gn3 h LEU 33 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gn3 h LEU 33 Cb 0.50 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gn3 h LEU 33 CO 0.00 0.58 -0.13 0.44 0.09 0.00 0.00 178.44 179.42 3gn3 h ASP 34 N 0.00 -0.30 -0.47 -0.43 3.45 -1.82 -1.86 116.42 114.99 3gn3 h ASP 34 Ca -0.01 -0.05 0.07 0.00 0.43 0.00 0.00 57.03 57.47 3gn3 h ASP 34 Cb 1.02 0.08 -0.06 0.00 -0.56 0.00 0.00 39.33 39.81 3gn3 h ASP 34 CO 0.08 -0.13 0.13 0.44 -1.57 0.00 0.00 179.24 178.18 3gn3 h ASP 35 N -0.44 0.09 -0.28 6.45 5.19 -1.83 -1.54 116.42 124.05 3gn3 h ASP 35 Ca -0.04 0.07 0.06 0.00 -0.62 0.00 0.00 57.03 56.51 3gn3 h ASP 35 Cb 0.33 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.86 3gn3 h ASP 35 CO 0.06 0.08 -0.13 0.25 -3.12 0.00 0.00 179.24 176.38 3gn3 h LEU 36 N 0.28 -0.44 -0.32 1.55 5.85 -0.95 0.39 115.31 121.67 3gn3 h LEU 36 Ca 0.23 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 3gn3 h LEU 36 Cb 0.27 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3gn3 h LEU 36 CO -0.27 -0.17 0.15 0.25 -0.34 0.00 0.00 178.44 178.07 3gn3 h LEU 37 N -0.09 0.42 -0.21 2.25 5.85 -1.04 0.58 115.31 123.07 3gn3 h LEU 37 Ca 0.15 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3gn3 h LEU 37 Cb 0.31 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3gn3 h LEU 37 CO -0.34 0.44 -0.08 0.00 -0.34 0.00 0.00 178.44 178.12 3gn3 h ALA 38 N 1.00 0.11 0.01 1.25 0.00 -0.82 0.32 119.26 121.13 3gn3 h ALA 38 Ca 0.11 0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.85 3gn3 h ALA 38 Cb 0.13 0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.15 3gn3 h ALA 38 CO -0.01 -0.50 -0.99 1.96 0.00 0.00 0.00 179.25 179.71 3gn3 h GLN 39 N -0.04 0.64 -0.18 0.00 4.20 -0.05 -3.29 115.11 116.38 3gn3 h GLN 39 Ca 0.11 -0.71 -0.19 0.00 0.06 0.00 0.00 58.65 57.91 3gn3 h GLN 39 Cb 0.20 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3gn3 h GLN 39 CO -0.24 1.30 -0.66 0.00 -0.67 0.00 0.00 178.83 178.56 3gn3 h ALA 40 N 0.37 0.49 -0.04 3.87 0.00 0.16 -3.50 119.26 120.61 3gn3 h ALA 40 Ca -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3gn3 h ALA 40 Cb 1.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3gn3 h ALA 40 CO 0.19 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3gn3 n GLY 41 N 0.48 1.01 0.13 0.00 0.00 0.11 -4.57 105.19 102.36 3gn3 n GLY 41 Ca -0.05 -1.27 0.10 0.00 0.00 0.00 0.00 46.02 44.80 3gn3 n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gn3 n GLU 42 N 2.63 0.13 0.16 1.61 1.02 -1.24 -0.71 120.64 124.24 3gn3 n GLU 42 Ca 0.00 0.57 0.12 0.00 -0.02 0.00 0.00 57.16 57.83 3gn3 n GLU 42 Cb 0.00 -1.87 0.12 0.00 -0.02 0.00 0.00 31.44 29.67 3gn3 n GLU 42 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3gn3 h ASP 43 N 0.00 0.00 0.00 1.62 3.32 -1.90 -0.94 116.42 118.52 3gn3 h ASP 43 Ca 0.00 -0.01 -0.35 0.00 0.02 0.00 0.00 57.03 56.68 3gn3 h ASP 43 Cb 0.08 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.56 3gn3 h ASP 43 CO 0.00 0.01 -2.34 0.59 -1.72 0.00 0.00 179.24 175.78 3gn3 n ASN 44 N -2.84 0.66 -4.20 6.45 3.02 0.12 -4.15 115.26 114.32 3gn3 n ASN 44 Ca 0.03 -0.03 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 3gn3 n ASN 44 Cb 0.53 0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 40.27 3gn3 n ASN 44 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3gn3 s VAL 45 N -2.47 1.05 -0.12 2.41 -7.23 -0.89 -1.83 120.40 111.31 3gn3 s VAL 45 Ca -0.15 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 3gn3 s VAL 45 Cb 0.06 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 3gn3 s VAL 45 CO 0.74 -0.58 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.89 3gn3 s THR 46 N -2.61 2.69 -0.23 5.32 2.01 -0.34 -0.76 115.64 121.71 3gn3 s THR 46 Ca 0.09 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.22 3gn3 s THR 46 Cb -0.02 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3gn3 s THR 46 CO 0.01 0.54 0.07 -0.69 -0.69 0.00 0.00 174.62 173.85 3gn3 s VAL 47 N 0.38 4.51 -0.05 3.82 1.01 0.50 -0.29 120.40 130.28 3gn3 s VAL 47 Ca -0.13 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.78 3gn3 s VAL 47 Cb -0.17 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3gn3 s VAL 47 CO 0.06 0.38 -0.21 -0.13 0.00 0.00 0.00 175.10 175.20 3gn3 s ARG 48 N 1.17 2.19 -0.06 2.72 0.52 -0.31 -1.02 118.95 124.16 3gn3 s ARG 48 Ca 0.05 -0.76 -0.20 0.00 -0.52 0.00 0.00 55.73 54.29 3gn3 s ARG 48 Cb -0.14 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 3gn3 s ARG 48 CO 0.03 0.31 0.57 0.42 0.02 0.00 0.00 175.30 176.65 3gn3 s ILE 49 N -0.05 5.05 0.05 1.52 1.01 -0.55 -1.20 121.20 127.03 3gn3 s ILE 49 Ca -0.04 1.17 0.09 0.00 0.00 0.00 0.00 60.65 61.87 3gn3 s ILE 49 Cb -0.13 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3gn3 s ILE 49 CO 0.03 0.35 -0.23 -0.13 0.00 0.00 0.00 174.94 174.96 3gn3 s ARG 50 N 0.31 1.86 -0.30 2.79 1.81 -0.31 -4.69 118.95 120.42 3gn3 s ARG 50 Ca 0.31 -1.09 -0.16 0.00 -1.72 0.00 0.00 55.73 53.06 3gn3 s ARG 50 Cb -0.17 -2.05 -0.02 0.00 -0.45 0.00 0.00 34.95 32.26 3gn3 s ARG 50 CO 0.15 0.51 0.42 -0.51 -0.68 0.00 0.00 175.30 175.19 3gn3 s LEU 51 N -1.43 4.19 -0.74 2.53 1.43 -1.26 -0.81 118.68 122.59 3gn3 s LEU 51 Ca 0.13 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.26 3gn3 s LEU 51 Cb -0.10 -2.47 0.19 0.00 0.03 0.00 0.00 46.19 43.84 3gn3 s LEU 51 CO 0.04 -0.30 0.64 -1.58 0.23 0.00 0.00 176.35 175.38 3gn3 s GLN 52 N 2.16 3.22 -0.18 1.70 2.00 0.73 -4.48 119.66 124.81 3gn3 s GLN 52 Ca 0.16 -2.43 -0.29 0.00 -2.00 0.00 0.00 55.36 50.79 3gn3 s GLN 52 Cb -0.16 -4.19 -0.02 0.00 0.80 0.00 0.00 33.01 29.44 3gn3 s GLN 52 CO 0.11 -1.25 1.39 0.45 -0.50 0.00 0.00 175.29 175.49 3gn3 s SER 53 N 1.78 6.77 -0.27 6.67 0.15 -1.26 -3.58 113.70 123.96 3gn3 s SER 53 Ca 0.17 1.70 -0.11 0.00 0.70 0.00 0.00 55.95 58.40 3gn3 s SER 53 Cb -0.15 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 3gn3 s SER 53 CO -0.06 -0.92 0.20 -1.10 1.20 0.00 0.00 173.24 172.56 3gn3 s GLN 54 N 3.88 4.00 0.59 5.44 -1.52 -1.26 -4.98 119.66 125.81 3gn3 s GLN 54 Ca 0.61 -0.26 0.35 0.00 -1.95 0.00 0.00 55.36 54.10 3gn3 s GLN 54 Cb -0.23 -3.62 1.84 0.00 -0.22 0.00 0.00 33.01 30.77 3gn3 s GLN 54 CO 0.21 -0.12 2.19 -1.35 -0.25 0.00 0.00 175.29 175.97 3gn3 h PRO 55 N 8.09 0.00 -0.00 2.91 0.11 -1.99 0.20 132.00 141.32 3gn3 h PRO 55 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gn3 h PRO 55 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gn3 h PRO 55 CO 0.59 0.04 -0.01 -2.67 -0.21 0.00 0.00 178.00 175.74 3gn3 n TRP 56 N -3.41 0.00 -3.16 0.65 2.14 -1.26 -4.16 117.44 108.24 3gn3 n TRP 56 Ca -0.02 0.00 -0.46 0.00 2.07 0.00 0.00 57.50 59.09 3gn3 n TRP 56 Cb 0.16 -0.37 -0.03 0.00 -0.81 0.00 0.00 31.31 30.27 3gn3 n TRP 56 CO 0.00 0.00 0.00 -1.01 2.07 0.00 0.00 177.69 178.75 3gn3 s HIS 57 N -2.74 3.42 0.40 -2.67 3.76 0.70 -4.77 115.29 113.39 3gn3 s HIS 57 Ca 0.23 -1.62 0.29 0.00 -0.15 0.00 0.00 55.06 53.81 3gn3 s HIS 57 Cb 0.20 -4.00 1.52 0.00 1.11 0.00 0.00 32.58 31.40 3gn3 s HIS 57 CO 0.49 -1.20 2.08 0.52 -0.85 0.00 0.00 174.74 175.79 3gn3 h MET 58 N 8.37 0.00 -0.64 1.40 2.86 -1.79 0.28 114.93 125.42 3gn3 h MET 58 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3gn3 h MET 58 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3gn3 h MET 58 CO 0.93 0.10 0.00 1.19 1.06 0.00 0.00 176.91 180.19 3gn3 n PHE 59 N -3.53 1.35 -0.16 -0.22 0.99 -1.26 -4.54 117.46 110.10 3gn3 n PHE 59 Ca -0.02 -0.52 -0.08 0.00 -0.00 0.00 0.00 57.45 56.83 3gn3 n PHE 59 Cb 0.23 -0.26 0.01 0.00 -1.00 0.00 0.00 39.48 38.46 3gn3 n PHE 59 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3gn3 h SER 60 N 3.40 0.62 -0.91 4.37 0.87 -1.22 -1.60 113.55 119.07 3gn3 h SER 60 Ca 0.00 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.45 3gn3 h SER 60 Cb 1.36 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 63.10 3gn3 h SER 60 CO 0.24 0.59 0.59 1.23 -0.53 0.00 0.00 176.83 178.96 3gn3 h GLY 61 N 0.61 1.33 0.81 5.77 0.00 -1.80 0.59 103.07 110.38 3gn3 h GLY 61 Ca 0.16 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3gn3 h GLY 61 CO -0.02 0.38 -0.13 -2.08 0.00 0.00 0.00 176.54 174.70 3gn3 h VAL 62 N 1.14 0.78 -0.50 4.60 2.07 -1.83 -2.18 116.25 120.33 3gn3 h VAL 62 Ca 0.36 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3gn3 h VAL 62 Cb 0.01 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3gn3 h VAL 62 CO -0.12 0.08 0.27 0.40 0.02 0.00 0.00 177.57 178.22 3gn3 h ILE 63 N -0.56 1.18 -0.61 4.57 2.04 -0.85 -1.05 117.51 122.23 3gn3 h ILE 63 Ca -0.04 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3gn3 h ILE 63 Cb 0.41 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3gn3 h ILE 63 CO 0.06 0.19 0.38 0.58 0.00 0.00 0.00 178.15 179.36 3gn3 h VAL 64 N 0.67 1.17 -0.59 1.67 2.07 0.13 -1.62 116.25 119.76 3gn3 h VAL 64 Ca 0.18 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3gn3 h VAL 64 Cb 0.07 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 3gn3 h VAL 64 CO -0.03 0.17 0.35 -0.09 0.02 0.00 0.00 177.57 178.00 3gn3 h ARG 65 N 0.82 0.66 -0.80 1.57 2.43 -0.94 -1.46 114.38 116.66 3gn3 h ARG 65 Ca 0.22 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.45 3gn3 h ARG 65 Cb -0.04 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.28 3gn3 h ARG 65 CO -0.04 0.44 0.44 0.00 -1.51 0.00 0.00 179.97 179.29 3gn3 h ILE 67 N 0.71 1.19 0.00 0.00 2.04 -0.62 0.39 117.51 121.22 3gn3 h ILE 67 Ca 0.40 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 3gn3 h ILE 67 Cb 0.43 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3gn3 h ILE 67 CO -0.28 0.20 -0.52 -0.07 0.00 0.00 0.00 178.15 177.48 3gn3 h LEU 68 N 0.23 0.00 -0.24 1.44 3.38 -0.84 -2.36 115.31 116.92 3gn3 h LEU 68 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3gn3 h LEU 68 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3gn3 h LEU 68 CO -0.00 0.52 0.13 0.00 0.09 0.00 0.00 178.44 179.18 3gn3 h ALA 69 N 1.48 0.31 -0.93 1.53 0.00 0.30 -2.93 119.26 119.03 3gn3 h ALA 69 Ca -0.01 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.94 3gn3 h ALA 69 Cb 1.00 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3gn3 h ALA 69 CO 0.07 -0.16 0.60 0.00 0.00 0.00 0.00 179.25 179.76 3gn3 h ALA 70 N 1.01 1.60 0.00 0.00 0.00 -0.53 -1.31 119.26 120.03 3gn3 h ALA 70 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gn3 h ALA 70 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3gn3 h ALA 70 CO -0.01 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3gn3 n ALA 71 N -2.39 1.28 0.03 0.00 0.00 -0.92 -1.97 120.51 116.54 3gn3 n ALA 71 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.70 3gn3 n ALA 71 Cb 0.31 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 3gn3 n ALA 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gn3 n THR 72 N -1.60 0.39 -0.52 0.00 -2.24 -0.49 -4.35 114.28 105.47 3gn3 n THR 72 Ca 0.01 -0.55 -0.29 0.00 -2.27 0.00 0.00 64.05 60.95 3gn3 n THR 72 Cb 0.08 -0.20 0.24 0.00 -2.10 0.00 0.00 70.33 68.34 3gn3 n THR 72 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gn3 n LEU 73 N -2.49 -2.02 -0.28 3.22 4.77 -0.83 -4.89 117.00 114.49 3gn3 n LEU 73 Ca -0.04 -0.23 0.03 0.00 -0.03 0.00 0.00 56.01 55.74 3gn3 n LEU 73 Cb 0.61 -1.12 0.24 0.00 -2.33 0.00 0.00 43.42 40.82 3gn3 n LEU 73 CO 0.43 -3.34 1.25 1.05 -1.33 0.00 0.00 177.39 175.45 3gn3 h GLU 74 N -2.59 1.00 0.00 3.23 4.11 -1.92 -2.39 114.58 116.01 3gn3 h GLU 74 Ca -0.59 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.78 3gn3 h GLU 74 Cb 1.34 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3gn3 h GLU 74 CO 0.45 0.66 0.00 0.41 0.07 0.00 0.00 179.01 180.60 3gn3 n GLY 75 N -1.41 -0.72 7.00 1.06 0.00 -1.26 -4.96 105.19 104.89 3gn3 n GLY 75 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3gn3 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gn3 n GLY 76 N 0.42 2.46 0.27 -0.02 0.00 -0.90 -1.45 105.19 105.97 3gn3 n GLY 76 Ca 0.15 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.50 3gn3 n GLY 76 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gn3 h LYS 77 N 0.00 0.00 -0.22 1.61 2.10 -1.83 -0.89 116.57 117.34 3gn3 h LYS 77 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 3gn3 h LYS 77 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 3gn3 h LYS 77 CO 0.00 0.05 -0.41 0.93 -2.00 0.00 0.00 179.45 178.02 3gn3 h GLU 78 N 0.00 0.52 -0.11 0.07 4.39 -1.64 0.22 114.58 118.02 3gn3 h GLU 78 Ca -0.00 -0.26 -0.21 0.00 0.34 0.00 0.00 59.36 59.22 3gn3 h GLU 78 Cb 0.12 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3gn3 h GLU 78 CO 0.01 0.84 -0.76 0.77 -1.16 0.00 0.00 179.01 178.71 3gn3 h SER 79 N 0.43 0.87 -0.59 1.42 0.02 -1.13 0.89 113.55 115.45 3gn3 h SER 79 Ca 0.04 -0.65 0.03 0.00 -0.84 0.00 0.00 61.79 60.37 3gn3 h SER 79 Cb 0.90 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 3gn3 h SER 79 CO 0.08 1.39 0.34 0.00 -1.14 0.00 0.00 176.83 177.50 3gn3 h ALA 80 N 0.50 0.76 -0.56 3.77 0.00 -1.16 -0.72 119.26 121.86 3gn3 h ALA 80 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gn3 h ALA 80 Cb 1.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3gn3 h ALA 80 CO 0.16 0.06 0.30 -0.22 0.00 0.00 0.00 179.25 179.54 3gn3 h LYS 81 N 0.67 0.79 -0.50 0.00 3.64 -0.43 0.26 116.57 121.00 3gn3 h LYS 81 Ca 0.24 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 3gn3 h LYS 81 Cb 0.06 -0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 31.65 3gn3 h LYS 81 CO -0.12 0.62 -0.01 0.00 -2.27 0.00 0.00 179.45 177.67 3gn3 h ALA 82 N 1.13 0.47 -0.28 5.00 0.00 -0.46 0.15 119.26 125.26 3gn3 h ALA 82 Ca 0.20 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3gn3 h ALA 82 Cb 0.07 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3gn3 h ALA 82 CO -0.03 -0.39 0.14 0.28 0.00 0.00 0.00 179.25 179.25 3gn3 h VAL 83 N 0.11 1.14 -0.53 0.00 2.07 -0.42 0.10 116.25 118.72 3gn3 h VAL 83 Ca 0.25 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3gn3 h VAL 83 Cb 0.39 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3gn3 h VAL 83 CO -0.43 0.14 0.28 0.24 0.02 0.00 0.00 177.57 177.82 3gn3 h MET 84 N 0.32 0.53 -0.56 1.57 2.07 -0.61 -1.16 114.93 117.08 3gn3 h MET 84 Ca 0.10 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.71 3gn3 h MET 84 Cb 0.10 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.68 3gn3 h MET 84 CO -0.01 0.35 0.36 1.15 1.07 0.00 0.00 176.91 179.82 3gn3 h THR 85 N 0.54 1.10 -0.63 2.22 2.02 -0.46 0.29 112.91 117.99 3gn3 h THR 85 Ca 0.23 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3gn3 h THR 85 Cb 0.12 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3gn3 h THR 85 CO -0.15 0.13 0.19 0.00 0.37 0.00 0.00 175.52 176.06 3gn3 h ALA 86 N 1.23 0.82 0.09 6.16 0.00 -0.58 -0.06 119.26 126.93 3gn3 h ALA 86 Ca 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gn3 h ALA 86 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3gn3 h ALA 86 CO -0.08 0.50 -0.04 0.28 0.00 0.00 0.00 179.25 179.91 3gn3 h VAL 87 N 0.90 1.09 -0.46 0.00 2.07 -0.94 -2.78 116.25 116.12 3gn3 h VAL 87 Ca 0.20 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.15 3gn3 h VAL 87 Cb 0.30 1.51 -0.09 0.00 -1.52 0.00 0.00 31.29 31.49 3gn3 h VAL 87 CO -0.01 0.16 -0.09 0.00 0.02 0.00 0.00 177.57 177.66 3gn3 h ALA 88 N 0.45 0.34 -0.22 1.67 0.00 -0.31 0.79 119.26 121.99 3gn3 h ALA 88 Ca -0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3gn3 h ALA 88 Cb 0.36 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3gn3 h ALA 88 CO 0.02 -0.43 0.08 0.77 0.00 0.00 0.00 179.25 179.69 3gn3 h SER 89 N 0.02 0.26 -1.03 0.00 0.02 -1.03 -2.84 113.55 108.96 3gn3 h SER 89 Ca 0.22 -0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.58 3gn3 h SER 89 Cb 0.34 -0.07 -0.41 0.00 0.14 0.00 0.00 62.40 62.40 3gn3 h SER 89 CO -0.46 0.25 -0.62 1.41 -1.14 0.00 0.00 176.83 176.28 3gn3 n HIS 90 N -4.44 2.98 -0.07 3.45 8.25 -0.75 -4.90 115.22 119.75 3gn3 n HIS 90 Ca 0.00 -2.54 -0.07 0.00 -0.26 0.00 0.00 57.72 54.85 3gn3 n HIS 90 Cb 0.13 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 30.86 3gn3 n HIS 90 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3gn3 h ARG 91 N 2.31 -0.18 -0.81 -0.41 2.43 -0.62 -1.14 114.38 115.96 3gn3 h ARG 91 Ca 0.37 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.70 3gn3 h ARG 91 Cb 1.26 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 3gn3 h ARG 91 CO 0.86 -0.12 0.53 1.49 -1.51 0.00 0.00 179.97 181.23 3gn3 h GLU 92 N -0.19 0.54 0.00 0.20 4.81 -1.88 0.72 114.58 118.78 3gn3 h GLU 92 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3gn3 h GLU 92 Cb 0.42 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3gn3 h GLU 92 CO -0.40 0.36 0.00 0.39 -0.73 0.00 0.00 179.01 178.63 3gn3 n GLU 93 N -4.51 0.04 -0.48 1.92 1.02 -0.43 -2.36 120.64 115.84 3gn3 n GLU 93 Ca 0.15 0.24 0.05 0.00 -0.02 0.00 0.00 57.16 57.59 3gn3 n GLU 93 Cb 0.49 -1.58 0.22 0.00 -0.02 0.00 0.00 31.44 30.55 3gn3 n GLU 93 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3gn3 n PHE 94 N -1.66 0.74 -3.82 -0.32 3.72 0.24 -4.97 117.46 111.39 3gn3 n PHE 94 Ca 0.04 -1.14 0.00 0.00 -0.05 0.00 0.00 57.45 56.30 3gn3 n PHE 94 Cb 0.22 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 3gn3 n PHE 94 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3gn3 n GLU 95 N -0.91 0.49 -4.44 -1.08 0.00 -0.99 -4.74 120.64 108.97 3gn3 n GLU 95 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.19 3gn3 n GLU 95 Cb 0.87 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 32.16 3gn3 n GLU 95 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3gn3 s PHE 96 N -1.57 0.97 0.11 4.31 0.08 -1.26 -4.67 117.98 115.94 3gn3 s PHE 96 Ca 0.00 -0.21 -0.32 0.00 0.12 0.00 0.00 56.93 56.52 3gn3 s PHE 96 Cb 0.00 -0.65 -0.12 0.00 -0.57 0.00 0.00 43.02 41.69 3gn3 s PHE 96 CO 0.00 -0.05 1.79 -0.85 -0.10 0.00 0.00 175.22 176.01 3gn3 n GLU 97 N 3.00 2.60 -3.19 0.44 0.28 0.68 -0.55 120.64 123.89 3gn3 n GLU 97 Ca -0.15 0.94 -0.22 0.00 -0.16 0.00 0.00 57.16 57.57 3gn3 n GLU 97 Cb 0.56 -2.81 0.01 0.00 1.43 0.00 0.00 31.44 30.63 3gn3 n GLU 97 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3gn3 n HIS 98 N 5.27 -1.82 -2.61 -1.84 8.25 -1.26 -0.77 115.22 120.43 3gn3 n HIS 98 Ca 0.18 0.45 -0.11 0.00 -0.26 0.00 0.00 57.72 57.99 3gn3 n HIS 98 Cb 0.35 -3.40 -0.01 0.00 1.12 0.00 0.00 29.99 28.05 3gn3 n HIS 98 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gn3 n HIS 99 N -4.07 -1.63 0.00 4.41 -0.00 0.29 -4.71 115.22 109.51 3gn3 n HIS 99 Ca -0.05 0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 3gn3 n HIS 99 Cb 0.57 -2.26 0.00 0.00 -0.00 0.00 0.00 29.99 28.30 3gn3 n HIS 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gn3 n ALA 100 N -2.50 2.61 -3.19 -1.41 0.00 0.05 -4.91 120.51 111.16 3gn3 n ALA 100 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3gn3 n ALA 100 Cb 0.57 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3gn3 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gn3 n GLY 101 N 1.76 5.40 0.00 0.00 0.00 -0.01 -4.89 105.19 107.45 3gn3 n GLY 101 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3gn3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gn3 n GLY 102 N 2.21 0.02 0.41 -0.02 0.00 -1.26 -0.23 105.19 106.32 3gn3 n GLY 102 Ca 0.00 -1.96 0.21 0.00 0.00 0.00 0.00 46.02 44.27 3gn3 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gn3 h PRO 103 N 0.00 0.00 0.00 1.61 0.13 -2.00 -1.99 132.00 129.75 3gn3 h PRO 103 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gn3 h PRO 103 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gn3 h PRO 103 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 3gn3 n ASN 104 N -3.42 0.29 0.25 1.44 5.03 -1.26 -1.54 115.26 116.06 3gn3 n ASN 104 Ca 0.10 0.55 0.16 0.00 0.87 0.00 0.00 54.58 56.26 3gn3 n ASN 104 Cb 0.84 -0.62 0.88 0.00 -1.02 0.00 0.00 39.78 39.86 3gn3 n ASN 104 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3gn3 h LEU 105 N 0.00 0.00 -3.17 3.41 3.38 -1.65 -2.53 115.31 114.75 3gn3 h LEU 105 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gn3 h LEU 105 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3gn3 h LEU 105 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3gn3 n ASP 106 N -3.77 3.79 -4.81 -0.43 8.00 -0.59 -4.98 116.55 113.75 3gn3 n ASP 106 Ca -0.01 -2.71 -0.23 0.00 0.71 0.00 0.00 54.79 52.55 3gn3 n ASP 106 Cb 0.22 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.80 3gn3 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gn3 s ALA 107 N -2.28 3.58 0.28 2.24 0.00 -0.96 -5.13 121.76 119.50 3gn3 s ALA 107 Ca 0.38 -1.35 0.09 0.00 0.00 0.00 0.00 51.96 51.09 3gn3 s ALA 107 Cb 0.29 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 3gn3 s ALA 107 CO 0.12 0.34 0.02 0.95 0.00 0.00 0.00 175.76 177.19 3gn3 s THR 108 N -2.00 3.40 0.32 0.00 -4.23 -1.26 -4.97 115.64 106.89 3gn3 s THR 108 Ca 0.32 -1.87 0.10 0.00 -1.18 0.00 0.00 61.69 59.06 3gn3 s THR 108 Cb -0.09 -2.88 0.32 0.00 1.34 0.00 0.00 72.50 71.19 3gn3 s THR 108 CO 0.24 -0.34 1.67 -0.65 -0.54 0.00 0.00 174.62 175.00 3gn3 h PRO 109 N 1.83 0.33 -0.34 3.99 0.11 -2.00 -0.05 132.00 135.88 3gn3 h PRO 109 Ca -0.44 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3gn3 h PRO 109 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3gn3 h PRO 109 CO 0.61 0.22 -0.17 -0.91 -0.21 0.00 0.00 178.00 177.54 3gn3 h ASN 110 N 0.34 0.63 -0.17 -2.05 -0.26 -1.99 -1.15 115.58 110.92 3gn3 h ASN 110 Ca 0.66 -0.20 0.02 0.00 -0.56 0.00 0.00 56.30 56.22 3gn3 h ASN 110 Cb 1.40 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.48 3gn3 h ASN 110 CO -0.59 0.81 0.06 0.44 -1.06 0.00 0.00 177.43 177.09 3gn3 h ASP 111 N 0.57 0.06 -0.57 5.81 3.32 -1.41 -1.42 116.42 122.77 3gn3 h ASP 111 Ca 0.09 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.19 3gn3 h ASP 111 Cb 0.62 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 3gn3 h ASP 111 CO 0.04 0.06 0.34 0.40 -1.72 0.00 0.00 179.24 178.37 3gn3 h ILE 112 N 0.14 1.06 -0.27 0.35 1.08 -1.13 -0.46 117.51 118.28 3gn3 h ILE 112 Ca 0.07 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 3gn3 h ILE 112 Cb 0.05 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 3gn3 h ILE 112 CO -0.08 0.12 0.10 0.40 -0.69 0.00 0.00 178.15 178.01 3gn3 h ILE 113 N 0.68 1.18 -0.54 -0.67 2.04 -1.08 -1.58 117.51 117.53 3gn3 h ILE 113 Ca 0.23 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.60 3gn3 h ILE 113 Cb 0.03 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 3gn3 h ILE 113 CO -0.10 0.18 0.28 0.00 0.00 0.00 0.00 178.15 178.51 3gn3 h ALA 114 N 0.95 0.70 -0.35 1.87 0.00 -1.06 -0.71 119.26 120.65 3gn3 h ALA 114 Ca 0.09 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3gn3 h ALA 114 Cb 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3gn3 h ALA 114 CO -0.01 -0.06 0.12 -0.09 0.00 0.00 0.00 179.25 179.21 3gn3 h ARG 115 N 0.54 0.25 -0.44 0.00 9.65 -0.89 0.81 114.38 124.30 3gn3 h ARG 115 Ca 0.24 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 59.02 3gn3 h ARG 115 Cb 0.15 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 3gn3 h ARG 115 CO -0.17 0.17 -0.09 0.82 2.80 0.00 0.00 179.97 183.50 3gn3 h ILE 116 N 0.26 1.25 -0.05 1.20 2.04 -1.10 -2.39 117.51 118.73 3gn3 h ILE 116 Ca 0.16 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3gn3 h ILE 116 Cb 0.14 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3gn3 h ILE 116 CO -0.17 0.39 0.03 -0.33 0.00 0.00 0.00 178.15 178.06 3gn3 h GLU 117 N 0.70 0.06 -0.09 2.37 5.08 -0.51 -0.35 114.58 121.84 3gn3 h GLU 117 Ca 0.12 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3gn3 h GLU 117 Cb 0.56 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 3gn3 h GLU 117 CO 0.03 0.04 -0.52 -0.09 -1.00 0.00 0.00 179.01 177.47 3gn3 h ARG 118 N 0.06 -0.57 -0.09 2.33 9.65 -0.74 0.25 114.38 125.27 3gn3 h ARG 118 Ca 0.02 0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.83 3gn3 h ARG 118 Cb -0.00 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3gn3 h ARG 118 CO -0.01 -0.38 -0.44 1.88 2.80 0.00 0.00 179.97 183.82 3gn3 h TYR 119 N -0.59 0.26 0.00 2.20 0.05 -1.37 -2.71 116.97 114.80 3gn3 h TYR 119 Ca 0.02 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3gn3 h TYR 119 Cb 0.67 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.36 3gn3 h TYR 119 CO -0.56 0.63 -0.99 -1.13 -1.05 0.00 0.00 178.16 175.06 3gn3 n SER 120 N -4.00 0.62 -2.74 3.88 3.41 -0.15 -4.83 113.62 109.82 3gn3 n SER 120 Ca -0.02 -0.18 -0.21 0.00 -0.26 0.00 0.00 58.87 58.21 3gn3 n SER 120 Cb 0.50 0.73 0.01 0.00 -0.26 0.00 0.00 64.21 65.19 3gn3 n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gn3 n GLY 121 N 1.36 -0.51 3.48 5.00 0.00 0.87 -4.95 105.19 110.45 3gn3 n GLY 121 Ca 0.02 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3gn3 n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gn3 s LEU 122 N -6.33 2.68 -0.30 0.99 1.43 -1.09 -5.04 118.68 111.02 3gn3 s LEU 122 Ca 0.16 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 3gn3 s LEU 122 Cb -0.07 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3gn3 s LEU 122 CO 0.20 0.17 0.42 0.00 0.23 0.00 0.00 176.35 177.37 3gn3 s ALA 123 N -1.22 3.54 -0.01 4.21 0.00 -1.26 -4.37 121.76 122.64 3gn3 s ALA 123 Ca 0.18 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.25 3gn3 s ALA 123 Cb -0.10 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 3gn3 s ALA 123 CO 0.10 -0.87 -0.00 1.28 0.00 0.00 0.00 175.76 176.27 3gn3 n LEU 124 N 5.47 1.34 -0.35 0.00 4.77 -1.26 -4.78 117.00 122.18 3gn3 n LEU 124 Ca -0.07 -0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.87 3gn3 n LEU 124 Cb 0.50 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 3gn3 n LEU 124 CO 0.40 0.25 0.57 0.00 -1.33 0.00 0.00 177.39 177.28 3gn3 h ALA 125 N 0.03 -0.02 0.23 -1.18 0.00 -1.91 0.38 119.26 116.79 3gn3 h ALA 125 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gn3 h ALA 125 Cb 1.06 1.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 3gn3 h ALA 125 CO -0.00 -0.70 -0.21 1.49 0.00 0.00 0.00 179.25 179.83 3gn3 h GLU 126 N -0.04 -0.44 -0.76 0.00 4.81 -2.01 -2.04 114.58 114.10 3gn3 h GLU 126 Ca 0.29 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.60 3gn3 h GLU 126 Cb 0.56 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 3gn3 h GLU 126 CO -0.92 -0.29 0.50 0.00 -0.73 0.00 0.00 179.01 177.57 3gn3 h ALA 127 N 0.26 1.60 -0.50 2.92 0.00 -1.45 -1.04 119.26 121.05 3gn3 h ALA 127 Ca -0.01 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3gn3 h ALA 127 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gn3 h ALA 127 CO -0.04 0.30 0.33 0.35 0.00 0.00 0.00 179.25 180.19 3gn3 h PHE 128 N 0.87 0.49 0.00 0.00 3.57 0.22 -2.54 116.94 119.55 3gn3 h PHE 128 Ca 0.32 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.83 3gn3 h PHE 128 Cb 0.15 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3gn3 h PHE 128 CO -0.00 0.27 0.00 0.00 -2.23 0.00 0.00 178.31 176.35 3gn3 h ALA 129 N 1.72 1.00 -1.54 2.41 0.00 -0.50 -3.46 119.26 118.90 3gn3 h ALA 129 Ca 0.21 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.45 3gn3 h ALA 129 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gn3 h ALA 129 CO -0.05 0.00 1.22 -1.71 0.00 0.00 0.00 179.25 178.70 3gn3 n ASN 130 N -2.92 2.68 0.20 0.00 5.15 -0.96 -4.83 115.26 114.58 3gn3 n ASN 130 Ca 0.03 0.71 0.14 0.00 -0.60 0.00 0.00 54.58 54.87 3gn3 n ASN 130 Cb 0.44 -1.29 0.56 0.00 -0.53 0.00 0.00 39.78 38.96 3gn3 n ASN 130 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gn3 h PRO 131 N 10.49 0.00 0.00 1.20 0.13 -1.90 -2.27 132.00 139.65 3gn3 h PRO 131 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3gn3 h PRO 131 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3gn3 h PRO 131 CO 0.98 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.14 3gn3 n GLU 132 N -2.65 0.14 0.26 0.86 -0.58 -1.26 -3.52 120.64 113.90 3gn3 n GLU 132 Ca 0.02 0.42 0.16 0.00 -0.42 0.00 0.00 57.16 57.33 3gn3 n GLU 132 Cb 0.29 -1.80 0.57 0.00 -0.57 0.00 0.00 31.44 29.93 3gn3 n GLU 132 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3gn3 h LEU 133 N 0.00 0.00 -1.82 -4.62 5.85 -1.78 -2.84 115.31 110.10 3gn3 h LEU 133 Ca 0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 3gn3 h LEU 133 Cb 0.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3gn3 h LEU 133 CO 0.00 0.03 0.33 1.05 -0.34 0.00 0.00 178.44 179.51 3gn3 h GLU 134 N 0.00 0.19 -0.48 1.25 4.11 -1.79 -2.56 114.58 115.30 3gn3 h GLU 134 Ca -0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 3gn3 h GLU 134 Cb 0.63 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3gn3 h GLU 134 CO 0.00 0.13 -0.07 0.45 0.07 0.00 0.00 179.01 179.59 3gn3 h HIS 135 N 0.20 0.93 -0.02 2.06 3.86 -1.78 0.12 115.15 120.52 3gn3 h HIS 135 Ca 0.22 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3gn3 h HIS 135 Cb 0.62 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 3gn3 h HIS 135 CO -0.00 0.88 0.01 0.00 0.86 0.00 0.00 177.93 179.68 3gn3 h ALA 136 N 1.14 0.02 -0.68 2.45 0.00 -1.65 0.16 119.26 120.70 3gn3 h ALA 136 Ca 0.14 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3gn3 h ALA 136 Cb 0.57 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 3gn3 h ALA 136 CO 0.03 -0.37 0.26 0.28 0.00 0.00 0.00 179.25 179.46 3gn3 h VAL 137 N -0.18 0.72 -0.66 0.00 2.07 -1.41 -2.03 116.25 114.76 3gn3 h VAL 137 Ca 0.01 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 3gn3 h VAL 137 Cb 0.21 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3gn3 h VAL 137 CO -0.00 0.08 0.15 0.11 0.02 0.00 0.00 177.57 177.93 3gn3 h LYS 138 N 0.44 1.05 -0.07 1.57 1.57 -0.52 -2.67 116.57 117.94 3gn3 h LYS 138 Ca 0.36 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3gn3 h LYS 138 Cb 0.49 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3gn3 h LYS 138 CO -0.35 0.94 0.03 2.35 -0.57 0.00 0.00 179.45 181.85 3gn3 h TRP 139 N 1.00 0.10 -0.10 -1.35 7.01 0.02 0.15 115.95 122.78 3gn3 h TRP 139 Ca 0.21 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.22 3gn3 h TRP 139 Cb 0.37 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 3gn3 h TRP 139 CO 0.03 0.18 0.02 0.45 -2.79 0.00 0.00 178.44 176.32 3gn3 h HIS 140 N -0.01 0.03 -0.01 2.65 3.86 -1.44 -0.42 115.15 119.81 3gn3 h HIS 140 Ca 0.02 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3gn3 h HIS 140 Cb 0.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3gn3 h HIS 140 CO -0.03 0.01 0.01 1.15 0.86 0.00 0.00 177.93 179.92 3gn3 h THR 141 N 0.06 1.03 -0.89 2.45 2.02 -1.35 0.16 112.91 116.39 3gn3 h THR 141 Ca 0.05 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.21 3gn3 h THR 141 Cb 0.04 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 3gn3 h THR 141 CO -0.06 0.02 0.55 0.50 0.37 0.00 0.00 175.52 176.91 3gn3 h LYS 142 N -0.01 0.97 -0.22 6.66 3.64 -0.61 0.50 116.57 127.50 3gn3 h LYS 142 Ca 0.01 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 3gn3 h LYS 142 Cb 0.03 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3gn3 h LYS 142 CO -0.00 0.64 -0.29 -0.92 -2.27 0.00 0.00 179.45 176.62 3gn3 h TYR 143 N 1.00 0.71 0.45 1.91 3.20 -0.65 -0.85 116.97 122.75 3gn3 h TYR 143 Ca 0.39 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3gn3 h TYR 143 Cb 0.20 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3gn3 h TYR 143 CO -0.03 0.95 -0.41 0.00 -1.64 0.00 0.00 178.16 177.03 3gn3 h ALA 144 N 0.64 -0.92 -0.75 1.82 0.00 -0.66 -2.20 119.26 117.20 3gn3 h ALA 144 Ca 0.03 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.92 3gn3 h ALA 144 Cb 0.86 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 19.13 3gn3 h ALA 144 CO 0.07 -1.05 0.31 0.00 0.00 0.00 0.00 179.25 178.58 3gn3 h ARG 145 N -0.87 0.45 -0.27 0.00 3.08 -0.90 -0.53 114.38 115.35 3gn3 h ARG 145 Ca -0.04 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3gn3 h ARG 145 Cb 0.75 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3gn3 h ARG 145 CO -0.04 0.30 0.03 0.37 -1.07 0.00 0.00 179.97 179.56 3gn3 h GLN 146 N 0.47 0.39 -0.01 0.04 4.15 -0.95 -1.72 115.11 117.48 3gn3 h GLN 146 Ca 0.40 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.76 3gn3 h GLN 146 Cb 0.59 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3gn3 h GLN 146 CO -0.38 0.40 -0.16 0.09 -1.93 0.00 0.00 178.83 176.85 3gn3 n ASN 147 N -4.35 1.02 -0.86 -0.69 3.02 -0.73 -4.95 115.26 107.72 3gn3 n ASN 147 Ca 0.01 -0.99 -0.08 0.00 -0.03 0.00 0.00 54.58 53.48 3gn3 n ASN 147 Cb 0.19 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 3gn3 n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gn3 n GLY 148 N 1.28 0.37 3.75 7.41 0.00 -0.30 -4.99 105.19 112.71 3gn3 n GLY 148 Ca 0.15 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3gn3 n GLY 148 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gn3 s ILE 149 N -2.38 2.89 0.23 -0.61 -1.09 -0.66 -4.87 121.20 114.70 3gn3 s ILE 149 Ca 0.00 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 3gn3 s ILE 149 Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 3gn3 s ILE 149 CO 0.00 0.16 0.00 1.57 -1.23 0.00 0.00 174.94 175.44 3gn3 n HIS 150 N 1.69 -1.83 -2.18 3.97 -0.00 -1.26 -4.69 115.22 110.92 3gn3 n HIS 150 Ca 0.03 0.32 -0.41 0.00 -0.00 0.00 0.00 57.72 57.66 3gn3 n HIS 150 Cb 0.42 0.46 -0.03 0.00 -0.00 0.00 0.00 29.99 30.84 3gn3 n HIS 150 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3gn3 s VAL 151 N -1.88 3.01 -0.12 3.57 1.01 -1.26 -5.03 120.40 119.70 3gn3 s VAL 151 Ca 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 3gn3 s VAL 151 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3gn3 s VAL 151 CO 0.00 0.16 -0.07 -0.94 0.00 0.00 0.00 175.10 174.26 3gn3 s SER 152 N 0.01 4.58 0.60 3.32 1.04 -1.26 -3.23 113.70 118.76 3gn3 s SER 152 Ca 0.54 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.75 3gn3 s SER 152 Cb -0.38 -1.54 -0.02 0.00 0.10 0.00 0.00 66.02 64.19 3gn3 s SER 152 CO 0.43 0.23 0.96 -2.16 0.98 0.00 0.00 173.24 173.69 3gn3 s PRO 153 N -0.03 3.25 0.08 4.02 0.04 -1.26 -4.44 135.00 136.65 3gn3 s PRO 153 Ca -0.00 0.38 0.06 0.00 0.04 0.00 0.00 61.00 61.48 3gn3 s PRO 153 Cb -0.13 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 3gn3 s PRO 153 CO 0.03 -0.63 -0.17 0.95 0.04 0.00 0.00 177.00 177.22 3gn3 s THR 154 N -3.08 1.35 -0.08 1.26 -4.23 -1.06 -4.95 115.64 104.85 3gn3 s THR 154 Ca 0.54 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 3gn3 s THR 154 Cb -0.11 -1.26 -0.02 0.00 1.34 0.00 0.00 72.50 72.45 3gn3 s THR 154 CO 0.49 -0.13 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.96 3gn3 s PHE 155 N -1.19 2.80 -0.03 3.99 0.08 -1.26 -0.95 117.98 121.42 3gn3 s PHE 155 Ca 0.02 -0.21 0.06 0.00 0.12 0.00 0.00 56.93 56.92 3gn3 s PHE 155 Cb -0.10 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 3gn3 s PHE 155 CO 0.03 0.13 -0.22 -1.64 -0.10 0.00 0.00 175.22 173.42 3gn3 s MET 156 N -0.47 2.00 -0.17 0.44 -1.94 0.18 -0.81 119.30 118.53 3gn3 s MET 156 Ca 0.06 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 3gn3 s MET 156 Cb -0.12 -1.84 0.00 0.00 2.01 0.00 0.00 34.83 34.88 3gn3 s MET 156 CO 0.02 0.43 -0.16 0.42 -0.01 0.00 0.00 175.02 175.72 3gn3 s ILE 157 N -0.36 2.54 -1.59 2.53 1.01 0.11 -0.67 121.20 124.78 3gn3 s ILE 157 Ca 0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 3gn3 s ILE 157 Cb -0.10 -2.08 0.06 0.00 0.01 0.00 0.00 42.46 40.35 3gn3 s ILE 157 CO 0.01 0.51 0.34 0.59 0.00 0.00 0.00 174.94 176.39 3gn3 n ASN 158 N 4.33 -0.53 0.00 3.58 3.02 0.90 -1.98 115.26 124.58 3gn3 n ASN 158 Ca -0.20 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 3gn3 n ASN 158 Cb 0.51 -2.21 0.00 0.00 -0.61 0.00 0.00 39.78 37.47 3gn3 n ASN 158 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gn3 n GLY 159 N -1.99 1.23 3.58 7.41 0.00 -1.26 -5.02 105.19 109.15 3gn3 n GLY 159 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3gn3 n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gn3 s LEU 160 N 0.00 3.52 0.40 0.99 1.43 -0.84 -5.08 118.68 119.10 3gn3 s LEU 160 Ca 0.00 -0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 3gn3 s LEU 160 Cb 0.00 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 3gn3 s LEU 160 CO 0.00 0.20 1.31 -0.69 0.23 0.00 0.00 176.35 177.41 3gn3 s VAL 161 N 0.18 2.59 -0.55 -1.59 1.01 -1.26 -0.71 120.40 120.07 3gn3 s VAL 161 Ca 0.01 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.57 3gn3 s VAL 161 Cb -0.13 -3.32 0.14 0.00 0.00 0.00 0.00 36.38 33.06 3gn3 s VAL 161 CO 0.02 0.09 0.30 -1.10 0.00 0.00 0.00 175.10 174.41 3gn3 s GLN 162 N -2.18 2.09 0.52 2.72 -1.52 0.01 -4.88 119.66 116.41 3gn3 s GLN 162 Ca 0.56 -2.68 0.30 0.00 -1.95 0.00 0.00 55.36 51.59 3gn3 s GLN 162 Cb -0.39 -3.38 1.38 0.00 -0.22 0.00 0.00 33.01 30.40 3gn3 s GLN 162 CO 0.50 -1.13 2.01 -1.00 -0.25 0.00 0.00 175.29 175.42 3gn3 h PRO 163 N 6.47 0.00 0.00 2.91 0.13 -1.95 -1.81 132.00 137.76 3gn3 h PRO 163 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 3gn3 h PRO 163 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3gn3 h PRO 163 CO 0.70 0.11 -0.31 0.78 -0.23 0.00 0.00 178.00 179.05 3gn3 h GLY 164 N 1.43 0.00 -2.06 1.56 0.00 -1.98 -3.45 103.07 98.57 3gn3 h GLY 164 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.84 3gn3 h GLY 164 CO 0.01 0.00 0.40 1.06 0.00 0.00 0.00 176.54 178.02 3gn3 s MET 165 N -4.26 3.59 0.06 4.80 -1.94 -0.68 -5.04 119.30 115.83 3gn3 s MET 165 Ca -0.03 1.46 -0.09 0.00 -1.71 0.00 0.00 55.69 55.31 3gn3 s MET 165 Cb 0.14 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.93 3gn3 s MET 165 CO 0.70 -0.63 0.20 0.45 -0.01 0.00 0.00 175.02 175.74 3gn3 s SER 166 N -1.94 0.05 0.40 3.03 0.15 -1.26 -4.89 113.70 109.24 3gn3 s SER 166 Ca 0.69 -0.44 0.20 0.00 0.70 0.00 0.00 55.95 57.10 3gn3 s SER 166 Cb -0.19 0.31 0.77 0.00 -1.71 0.00 0.00 66.02 65.20 3gn3 s SER 166 CO 0.24 -0.62 1.77 0.77 1.20 0.00 0.00 173.24 176.61 3gn3 h SER 167 N 3.22 0.00 0.84 5.45 4.64 -1.94 -2.09 113.55 123.67 3gn3 h SER 167 Ca -0.33 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3gn3 h SER 167 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3gn3 h SER 167 CO 0.51 0.33 -0.01 1.23 -0.87 0.00 0.00 176.83 178.02 3gn3 h GLY 168 N 1.97 0.00 -3.49 -0.77 0.00 -1.96 -3.41 103.07 95.42 3gn3 h GLY 168 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.76 3gn3 h GLY 168 CO 0.04 0.00 0.45 1.22 0.00 0.00 0.00 176.54 178.25 3gn3 n ASP 169 N -3.10 2.31 -4.77 0.19 8.00 -0.79 -4.94 116.55 113.45 3gn3 n ASP 169 Ca -0.00 1.06 -0.41 0.00 0.71 0.00 0.00 54.79 56.15 3gn3 n ASP 169 Cb 0.27 -1.49 -0.01 0.00 -0.02 0.00 0.00 41.12 39.87 3gn3 n ASP 169 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3gn3 s PRO 170 N -2.33 4.20 0.48 -0.24 0.02 -1.26 -4.90 135.00 130.97 3gn3 s PRO 170 Ca 0.64 2.44 0.23 0.00 0.02 0.00 0.00 61.00 64.33 3gn3 s PRO 170 Cb -0.49 -3.02 1.26 0.00 0.02 0.00 0.00 34.50 32.27 3gn3 s PRO 170 CO 0.56 -0.43 1.91 0.28 -0.33 0.00 0.00 177.00 178.98 3gn3 h VAL 171 N 3.10 0.67 0.00 3.83 2.07 -1.95 0.21 116.25 124.18 3gn3 h VAL 171 Ca -0.49 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3gn3 h VAL 171 Cb 1.23 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3gn3 h VAL 171 CO 0.68 0.04 -0.21 0.77 0.02 0.00 0.00 177.57 178.87 3gn3 h SER 172 N 0.20 0.00 -0.23 0.57 4.64 -1.98 -0.28 113.55 116.47 3gn3 h SER 172 Ca 0.39 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.65 3gn3 h SER 172 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3gn3 h SER 172 CO -0.08 0.21 -0.08 0.50 -0.87 0.00 0.00 176.83 176.50 3gn3 h LYS 173 N 0.00 0.46 -0.84 4.77 3.64 -0.94 -2.65 116.57 121.02 3gn3 h LYS 173 Ca -0.00 -0.19 0.12 0.00 -1.27 0.00 0.00 60.65 59.31 3gn3 h LYS 173 Cb 0.39 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 3gn3 h LYS 173 CO 0.03 0.72 0.46 -1.49 -2.27 0.00 0.00 179.45 176.89 3gn3 h TRP 174 N 0.19 0.81 -0.36 1.91 6.55 -1.18 0.14 115.95 124.02 3gn3 h TRP 174 Ca 0.05 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.92 3gn3 h TRP 174 Cb 0.56 -0.24 -0.02 0.00 -0.86 0.00 0.00 29.16 28.61 3gn3 h TRP 174 CO 0.06 0.27 0.21 0.28 -1.05 0.00 0.00 178.44 178.21 3gn3 h VAL 175 N 0.71 1.12 -0.36 1.49 2.07 -0.98 0.19 116.25 120.50 3gn3 h VAL 175 Ca 0.43 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.50 3gn3 h VAL 175 Cb 0.50 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3gn3 h VAL 175 CO -0.30 0.12 -0.39 0.28 0.02 0.00 0.00 177.57 177.31 3gn3 h SER 176 N 0.46 0.91 -0.35 0.57 0.02 -1.06 -0.96 113.55 113.15 3gn3 h SER 176 Ca 0.13 -0.42 0.04 0.00 -0.84 0.00 0.00 61.79 60.70 3gn3 h SER 176 Cb 0.02 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 3gn3 h SER 176 CO -0.02 1.19 0.11 0.44 -1.14 0.00 0.00 176.83 177.41 3gn3 h ASP 177 N 0.70 0.12 -0.54 3.07 3.32 -0.40 -2.18 116.42 120.51 3gn3 h ASP 177 Ca 0.06 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3gn3 h ASP 177 Cb 0.96 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 3gn3 h ASP 177 CO 0.09 0.10 0.33 0.40 -1.72 0.00 0.00 179.24 178.44 3gn3 h ILE 178 N 0.26 1.16 0.00 0.35 2.04 -0.53 -3.51 117.51 117.28 3gn3 h ILE 178 Ca 0.16 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3gn3 h ILE 178 Cb 0.14 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3gn3 h ILE 178 CO -0.17 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.76