#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gnl n ASN 2 N 0.00 2.52 0.22 4.04 3.02 -1.26 -4.94 115.26 118.86 1gnl n ASN 2 Ca 0.00 1.12 0.10 0.00 -0.03 0.00 0.00 54.58 55.76 1gnl n ASN 2 Cb 0.00 -1.36 0.42 0.00 -0.61 0.00 0.00 39.78 38.23 1gnl n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gnl h ALA 3 N 4.71 0.99 -2.94 5.41 0.00 -1.79 -3.47 119.26 122.18 1gnl h ALA 3 Ca -0.45 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.27 1gnl h ALA 3 Cb 1.29 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1gnl h ALA 3 CO 0.80 0.29 0.12 0.00 0.00 0.00 0.00 179.25 180.46 1gnl s MET 4 N -3.59 1.63 -0.17 0.00 0.23 -1.00 -4.84 119.30 111.56 1gnl s MET 4 Ca 0.01 -0.98 -0.04 0.00 -1.03 0.00 0.00 55.69 53.64 1gnl s MET 4 Cb 0.10 0.56 0.09 0.00 -1.53 0.00 0.00 34.83 34.05 1gnl s MET 4 CO 0.64 -0.72 0.29 0.12 -2.03 0.00 0.00 175.02 173.32 1gnl s PHE 5 N -3.92 -0.50 -0.05 3.16 2.19 -1.24 -4.13 117.98 113.49 1gnl s PHE 5 Ca 0.12 0.84 -0.02 0.00 0.33 0.00 0.00 56.93 58.20 1gnl s PHE 5 Cb -0.04 -0.06 0.03 0.00 -1.31 0.00 0.00 43.02 41.64 1gnl s PHE 5 CO 0.04 -0.49 0.11 0.00 1.83 0.00 0.00 175.22 176.71 1gnl n TYR 7 N 3.85 0.00 0.70 0.00 4.11 -1.26 -0.50 117.16 124.07 1gnl n TYR 7 Ca -0.23 -0.40 0.13 0.00 -0.00 0.00 0.00 57.90 57.41 1gnl n TYR 7 Cb 0.54 -0.12 0.44 0.00 -0.00 0.00 0.00 39.34 40.19 1gnl n TYR 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1gnl n GLN 8 N 0.21 0.21 -4.54 -3.48 10.64 -1.26 -4.49 117.38 114.67 1gnl n GLN 8 Ca 0.05 0.17 -0.27 0.00 -1.83 0.00 0.00 57.00 55.12 1gnl n GLN 8 Cb 0.97 -1.74 -0.10 0.00 -0.86 0.00 0.00 30.24 28.51 1gnl n GLN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1gnl h GLN 10 N 1.79 0.00 -0.26 0.00 -0.00 -1.30 -2.85 115.11 112.49 1gnl h GLN 10 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 1gnl h GLN 10 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.72 1gnl h GLN 10 CO 0.77 0.14 0.00 0.39 0.00 0.00 0.00 178.83 180.13 1gnl n GLU 11 N -4.10 1.69 -1.64 1.69 1.02 -1.26 -4.88 120.64 113.16 1gnl n GLU 11 Ca -0.02 -1.06 -0.43 0.00 -0.02 0.00 0.00 57.16 55.63 1gnl n GLU 11 Cb 0.22 -1.29 -0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1gnl n GLU 11 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1gnl n THR 12 N 0.33 2.13 -1.65 2.62 5.66 -1.08 -4.77 114.28 117.52 1gnl n THR 12 Ca 0.12 -0.50 -0.49 0.00 -3.05 0.00 0.00 64.05 60.13 1gnl n THR 12 Cb 0.27 -1.29 -0.05 0.00 -1.55 0.00 0.00 70.33 67.71 1gnl n THR 12 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1gnl n VAL 13 N 0.08 0.13 -1.26 1.08 0.31 -1.26 -1.37 118.33 116.04 1gnl n VAL 13 Ca 0.07 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.29 1gnl n VAL 13 Cb 0.36 -1.39 -0.04 0.00 -0.91 0.00 0.00 33.84 31.86 1gnl n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gnl n GLY 14 N 3.43 0.92 3.75 2.92 0.00 -1.26 -1.02 105.19 113.93 1gnl n GLY 14 Ca 0.19 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1gnl n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gnl n ASN 15 N -0.87 -4.52 0.00 1.61 5.15 -0.47 -4.84 115.26 111.32 1gnl n ASN 15 Ca -0.09 -0.67 0.00 0.00 -0.60 0.00 0.00 54.58 53.22 1gnl n ASN 15 Cb 0.51 -3.65 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 1gnl n ASN 15 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1gnl n LYS 16 N -4.38 0.00 0.00 1.20 5.02 -0.19 -4.57 118.16 115.25 1gnl n LYS 16 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1gnl n LYS 16 Cb 0.53 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1gnl n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gnl n GLY 17 N 2.14 3.58 3.65 0.72 0.00 -0.54 -4.84 105.19 109.89 1gnl n GLY 17 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1gnl n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl n THR 19 N 5.29 0.00 0.02 0.00 -2.24 -1.26 -1.73 114.28 114.37 1gnl n THR 19 Ca 0.07 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.44 1gnl n THR 19 Cb 0.47 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 69.61 1gnl n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gnl n GLN 20 N -1.12 0.08 -3.87 -0.78 6.02 -1.26 -2.32 117.38 114.13 1gnl n GLN 20 Ca 0.00 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 1gnl n GLN 20 Cb 0.03 -0.64 -0.11 0.00 1.02 0.00 0.00 30.24 30.54 1gnl n GLN 20 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1gnl s VAL 21 N -2.13 0.06 0.45 5.09 0.11 -1.26 -4.31 120.40 118.41 1gnl s VAL 21 Ca -0.05 -0.52 -0.23 0.00 -2.93 0.00 0.00 61.98 58.25 1gnl s VAL 21 Cb 0.01 -0.35 -0.08 0.00 -1.53 0.00 0.00 36.38 34.43 1gnl s VAL 21 CO 0.07 -0.29 1.15 -0.83 -3.33 0.00 0.00 175.10 171.87 1gnl s GLY 22 N -0.99 2.78 0.50 6.54 0.00 0.24 -4.89 107.32 111.51 1gnl s GLY 22 Ca -0.11 0.91 0.17 0.00 0.00 0.00 0.00 44.72 45.69 1gnl s GLY 22 CO 0.01 1.37 2.08 -2.08 0.00 0.00 0.00 173.10 174.48 1gnl h VAL 23 N 1.95 0.93 0.00 1.40 2.07 -1.89 0.07 116.25 120.78 1gnl h VAL 23 Ca -0.49 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1gnl h VAL 23 Cb 1.24 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1gnl h VAL 23 CO 0.61 0.02 0.00 0.00 0.02 0.00 0.00 177.57 178.21 1gnl n GLY 25 N 0.58 0.36 3.67 0.00 0.00 0.01 -4.50 105.19 105.31 1gnl n GLY 25 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1gnl n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gnl s LYS 26 N -0.88 4.18 0.55 1.61 2.20 -1.25 -4.72 119.74 121.43 1gnl s LYS 26 Ca 0.00 2.30 -0.10 0.00 -0.36 0.00 0.00 55.97 57.81 1gnl s LYS 26 Cb 0.00 -3.90 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 1gnl s LYS 26 CO 0.00 -0.83 0.94 0.15 -0.36 0.00 0.00 175.35 175.25 1gnl s LYS 27 N 3.68 3.66 0.29 4.03 1.02 -1.26 -0.59 119.74 130.57 1gnl s LYS 27 Ca 0.76 0.62 -0.02 0.00 0.02 0.00 0.00 55.97 57.35 1gnl s LYS 27 Cb -0.37 -2.19 0.43 0.00 -0.52 0.00 0.00 37.83 35.18 1gnl s LYS 27 CO 0.32 -0.38 1.94 -1.00 -0.92 0.00 0.00 175.35 175.31 1gnl h PRO 28 N 0.15 1.12 -0.14 -1.68 0.13 -1.89 -0.29 132.00 129.40 1gnl h PRO 28 Ca -0.45 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 1gnl h PRO 28 Cb 1.19 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1gnl h PRO 28 CO 0.62 0.74 -0.41 0.93 -0.23 0.00 0.00 178.00 179.65 1gnl h GLU 29 N 1.15 0.32 -0.22 0.86 5.08 -1.94 -0.17 114.58 119.67 1gnl h GLU 29 Ca 0.34 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1gnl h GLU 29 Cb -0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1gnl h GLU 29 CO -0.09 0.68 0.08 1.15 -1.00 0.00 0.00 179.01 179.83 1gnl h THR 30 N 0.27 1.17 -1.00 1.13 2.02 -1.71 -0.63 112.91 114.16 1gnl h THR 30 Ca 0.02 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.72 1gnl h THR 30 Cb 0.83 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 1gnl h THR 30 CO 0.07 0.17 0.65 0.00 0.37 0.00 0.00 175.52 176.78 1gnl h ALA 31 N 0.92 1.32 -0.25 6.16 0.00 -0.85 -1.23 119.26 125.33 1gnl h ALA 31 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1gnl h ALA 31 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1gnl h ALA 31 CO -0.01 0.55 0.03 0.00 0.00 0.00 0.00 179.25 179.82 1gnl h ALA 32 N 1.41 0.34 -0.87 0.00 0.00 -0.76 -0.60 119.26 118.78 1gnl h ALA 32 Ca 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1gnl h ALA 32 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1gnl h ALA 32 CO -0.13 0.04 0.52 -0.07 0.00 0.00 0.00 179.25 179.62 1gnl h LEU 33 N 0.23 1.05 -0.63 0.00 3.38 -0.77 -0.15 115.31 118.42 1gnl h LEU 33 Ca 0.07 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1gnl h LEU 33 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1gnl h LEU 33 CO 0.01 0.81 0.20 1.56 0.09 0.00 0.00 178.44 181.10 1gnl h GLN 34 N 1.20 0.97 -0.72 1.13 4.20 -1.02 0.03 115.11 120.90 1gnl h GLN 34 Ca 0.31 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1gnl h GLN 34 Cb -0.04 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1gnl h GLN 34 CO -0.06 0.86 0.41 -0.44 -0.67 0.00 0.00 178.83 178.93 1gnl h ASP 35 N 0.90 0.88 -0.63 1.46 3.32 -0.32 0.06 116.42 122.09 1gnl h ASP 35 Ca 0.20 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1gnl h ASP 35 Cb 0.29 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1gnl h ASP 35 CO -0.01 0.71 0.15 0.00 -1.72 0.00 0.00 179.24 178.37 1gnl h ALA 36 N 1.21 0.83 -0.43 3.45 0.00 -0.86 -1.69 119.26 121.77 1gnl h ALA 36 Ca 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gnl h ALA 36 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1gnl h ALA 36 CO -0.04 0.54 0.17 1.25 0.00 0.00 0.00 179.25 181.16 1gnl h LEU 37 N 0.92 0.60 -0.63 0.00 5.85 -0.53 -1.55 115.31 119.97 1gnl h LEU 37 Ca 0.20 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1gnl h LEU 37 Cb 0.35 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1gnl h LEU 37 CO 0.00 0.61 0.34 0.40 -0.34 0.00 0.00 178.44 179.45 1gnl h ILE 38 N 0.56 1.21 0.13 4.05 1.08 -0.86 -0.96 117.51 122.71 1gnl h ILE 38 Ca 0.14 -0.53 0.01 0.00 -0.39 0.00 0.00 64.86 64.09 1gnl h ILE 38 Cb 0.20 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 1gnl h ILE 38 CO -0.01 0.23 -0.19 0.22 -0.69 0.00 0.00 178.15 177.71 1gnl h TYR 39 N 0.86 -0.49 0.00 1.37 3.20 -0.98 -0.79 116.97 120.15 1gnl h TYR 39 Ca 0.22 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1gnl h TYR 39 Cb 0.06 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1gnl h TYR 39 CO -0.01 -0.28 -0.18 -0.39 -1.64 0.00 0.00 178.16 175.67 1gnl h VAL 40 N -0.38 0.49 -0.44 1.81 -1.51 -1.19 -1.73 116.25 113.30 1gnl h VAL 40 Ca 0.02 -0.94 -0.15 0.00 -1.23 0.00 0.00 66.70 64.41 1gnl h VAL 40 Cb 0.38 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1gnl h VAL 40 CO -0.09 0.18 -0.30 0.74 -1.23 0.00 0.00 177.57 176.87 1gnl h THR 41 N 0.00 1.27 -0.63 7.19 2.02 -0.74 0.13 112.91 122.14 1gnl h THR 41 Ca -0.00 -1.47 -0.05 0.00 0.77 0.00 0.00 66.41 65.66 1gnl h THR 41 Cb 0.64 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1gnl h THR 41 CO 0.02 0.50 0.20 0.11 0.37 0.00 0.00 175.52 176.72 1gnl h LYS 42 N 0.81 0.96 -0.43 6.66 1.57 -0.66 0.50 116.57 125.98 1gnl h LYS 42 Ca 0.09 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1gnl h LYS 42 Cb 0.88 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1gnl h LYS 42 CO 0.08 0.82 0.17 0.78 -0.57 0.00 0.00 179.45 180.73 1gnl h GLY 43 N 1.03 0.70 0.94 3.86 0.00 -1.04 -1.39 103.07 107.17 1gnl h GLY 43 Ca 0.21 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.17 1gnl h GLY 43 CO -0.01 0.36 0.51 -2.00 0.00 0.00 0.00 176.54 175.40 1gnl h LEU 44 N 0.55 0.86 -0.88 3.11 5.85 -0.66 -1.94 115.31 122.21 1gnl h LEU 44 Ca 0.14 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1gnl h LEU 44 Cb 0.20 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1gnl h LEU 44 CO -0.01 0.61 0.56 1.23 -0.34 0.00 0.00 178.44 180.49 1gnl h GLY 45 N 1.02 1.29 0.91 3.75 0.00 -0.38 0.01 103.07 109.66 1gnl h GLY 45 Ca 0.30 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1gnl h GLY 45 CO -0.09 0.34 0.09 -1.61 0.00 0.00 0.00 176.54 175.27 1gnl h GLN 46 N 1.07 0.29 -0.33 4.80 4.15 -0.70 -0.96 115.11 123.44 1gnl h GLN 46 Ca 0.36 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1gnl h GLN 46 Cb 0.05 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1gnl h GLN 46 CO -0.13 0.33 0.21 0.82 -1.93 0.00 0.00 178.83 178.12 1gnl h ILE 47 N 0.18 1.10 -0.78 2.39 2.04 -0.94 -0.48 117.51 121.02 1gnl h ILE 47 Ca 0.07 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1gnl h ILE 47 Cb 0.14 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1gnl h ILE 47 CO -0.01 0.10 0.41 0.00 0.00 0.00 0.00 178.15 178.65 1gnl h ALA 48 N 1.10 1.00 -0.68 1.87 0.00 -0.94 -0.65 119.26 120.96 1gnl h ALA 48 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1gnl h ALA 48 Cb -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1gnl h ALA 48 CO -0.02 0.52 0.36 1.15 0.00 0.00 0.00 179.25 181.26 1gnl h THR 49 N 1.08 1.21 -0.48 0.00 2.02 -0.81 -1.57 112.91 114.36 1gnl h THR 49 Ca 0.27 -0.55 -0.09 0.00 0.77 0.00 0.00 66.41 66.81 1gnl h THR 49 Cb 0.06 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1gnl h THR 49 CO -0.04 0.24 -0.07 0.03 0.37 0.00 0.00 175.52 176.05 1gnl h ARG 50 N 0.93 0.85 -0.42 6.66 2.47 -0.68 -1.51 114.38 122.67 1gnl h ARG 50 Ca 0.24 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1gnl h ARG 50 Cb 0.05 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 1gnl h ARG 50 CO -0.04 0.89 0.22 -0.07 0.56 0.00 0.00 179.97 181.53 1gnl h LEU 51 N 0.77 0.54 -0.82 3.04 3.38 -0.76 -1.15 115.31 120.31 1gnl h LEU 51 Ca 0.13 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1gnl h LEU 51 Cb 0.56 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1gnl h LEU 51 CO 0.03 0.49 0.54 0.03 0.09 0.00 0.00 178.44 179.62 1gnl h ARG 52 N 0.54 1.09 0.00 1.13 3.08 -1.03 -0.01 114.38 119.19 1gnl h ARG 52 Ca 0.15 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1gnl h ARG 52 Cb 0.09 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1gnl h ARG 52 CO -0.02 0.73 -0.21 0.00 -1.07 0.00 0.00 179.97 179.40 1gnl h ALA 53 N 1.29 1.56 -0.00 0.04 0.00 -0.88 -1.31 119.26 119.96 1gnl h ALA 53 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gnl h ALA 53 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1gnl h ALA 53 CO -0.06 0.27 -0.04 0.39 0.00 0.00 0.00 179.25 179.80 1gnl n GLU 54 N -4.16 0.81 -0.84 0.00 1.02 -0.47 -4.91 120.64 112.09 1gnl n GLU 54 Ca -0.02 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1gnl n GLU 54 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1gnl n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gnl n GLY 55 N 1.19 0.48 3.84 0.62 0.00 -0.49 -5.06 105.19 105.76 1gnl n GLY 55 Ca 0.18 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 1gnl n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gnl s LYS 56 N -1.63 3.25 0.48 1.61 1.02 -0.10 -5.00 119.74 119.36 1gnl s LYS 56 Ca 0.00 -0.40 -0.22 0.00 0.02 0.00 0.00 55.97 55.37 1gnl s LYS 56 Cb 0.00 -2.98 -0.07 0.00 -0.52 0.00 0.00 37.83 34.26 1gnl s LYS 56 CO 0.00 0.66 1.16 0.00 -0.92 0.00 0.00 175.35 176.25 1gnl s ALA 57 N -1.25 2.92 -0.19 5.17 0.00 -1.26 -3.77 121.76 123.38 1gnl s ALA 57 Ca 0.25 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1gnl s ALA 57 Cb -0.12 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.66 1gnl s ALA 57 CO 0.16 -0.67 -0.09 0.08 0.00 0.00 0.00 175.76 175.23 1gnl s VAL 58 N -1.59 1.51 0.60 0.00 1.01 -1.26 -4.94 120.40 115.73 1gnl s VAL 58 Ca 0.65 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1gnl s VAL 58 Cb -0.27 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1gnl s VAL 58 CO 0.33 0.18 1.17 -0.62 0.00 0.00 0.00 175.10 176.16 1gnl s ASP 59 N 1.46 5.23 0.59 3.32 2.15 -1.26 -4.91 116.67 123.26 1gnl s ASP 59 Ca -0.00 2.27 0.38 0.00 0.43 0.00 0.00 52.55 55.63 1gnl s ASP 59 Cb -0.16 -2.59 1.87 0.00 -0.30 0.00 0.00 42.92 41.75 1gnl s ASP 59 CO -0.08 -1.56 2.16 -0.74 -0.17 0.00 0.00 175.17 174.77 1gnl h HIS 60 N 0.73 0.00 -0.64 -5.34 -0.00 -2.00 -0.34 115.15 107.56 1gnl h HIS 60 Ca -0.49 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 59.93 1gnl h HIS 60 Cb 1.28 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.65 1gnl h HIS 60 CO 0.49 0.00 0.42 -0.09 -0.00 0.00 0.00 177.93 178.75 1gnl h ARG 61 N 0.00 0.65 -0.36 5.26 2.43 -1.99 -1.32 114.38 119.04 1gnl h ARG 61 Ca 0.00 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1gnl h ARG 61 Cb 0.24 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1gnl h ARG 61 CO 0.00 0.43 -0.10 0.82 -1.51 0.00 0.00 179.97 179.61 1gnl h ILE 62 N 0.67 1.28 -0.87 1.20 1.08 -1.41 -1.67 117.51 117.79 1gnl h ILE 62 Ca 0.27 -1.18 0.06 0.00 -0.39 0.00 0.00 64.86 63.62 1gnl h ILE 62 Cb 0.21 1.29 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 1gnl h ILE 62 CO -0.08 0.39 0.54 0.44 -0.69 0.00 0.00 178.15 178.75 1gnl h ASP 63 N 0.51 0.86 -0.02 1.72 3.32 -1.38 -1.14 116.42 120.28 1gnl h ASP 63 Ca 0.09 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 1gnl h ASP 63 Cb 0.62 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1gnl h ASP 63 CO 0.04 0.55 -0.44 0.03 -1.72 0.00 0.00 179.24 177.69 1gnl h ARG 64 N 0.99 0.55 -0.38 3.56 3.08 -1.09 -1.19 114.38 119.90 1gnl h ARG 64 Ca 0.38 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1gnl h ARG 64 Cb 0.18 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1gnl h ARG 64 CO -0.18 0.89 0.16 1.25 -1.07 0.00 0.00 179.97 181.02 1gnl h LEU 65 N 0.45 0.52 -0.04 3.04 5.85 -0.71 -0.79 115.31 123.64 1gnl h LEU 65 Ca 0.03 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1gnl h LEU 65 Cb 0.95 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1gnl h LEU 65 CO 0.08 0.54 0.02 0.58 -0.34 0.00 0.00 178.44 179.32 1gnl h VAL 66 N 0.47 1.03 -0.46 1.05 2.07 -1.01 -0.03 116.25 119.36 1gnl h VAL 66 Ca 0.13 -0.08 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 1gnl h VAL 66 Cb 0.17 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1gnl h VAL 66 CO -0.01 0.02 -0.16 0.71 0.02 0.00 0.00 177.57 178.16 1gnl h THR 67 N 0.03 1.27 -0.70 2.57 1.35 -1.17 -1.64 112.91 114.61 1gnl h THR 67 Ca 0.01 -1.28 -0.07 0.00 -0.55 0.00 0.00 66.41 64.52 1gnl h THR 67 Cb 0.02 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 67.49 1gnl h THR 67 CO -0.00 0.44 0.15 1.23 -0.25 0.00 0.00 175.52 177.09 1gnl h GLY 68 N 0.95 1.23 0.96 5.82 0.00 -1.05 -1.53 103.07 109.45 1gnl h GLY 68 Ca 0.12 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 1gnl h GLY 68 CO 0.05 0.73 0.02 3.43 0.00 0.00 0.00 176.54 180.78 1gnl h ASN 69 N 1.08 0.05 -0.25 0.19 2.35 -0.73 -0.51 115.58 117.75 1gnl h ASN 69 Ca 0.22 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1gnl h ASN 69 Cb 0.40 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1gnl h ASN 69 CO 0.01 0.08 0.16 -0.07 -1.65 0.00 0.00 177.43 175.95 1gnl h LEU 70 N 0.02 0.30 -1.02 1.61 3.38 -1.19 -2.87 115.31 115.53 1gnl h LEU 70 Ca 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1gnl h LEU 70 Cb 0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1gnl h LEU 70 CO -0.00 0.24 0.09 0.15 0.09 0.00 0.00 178.44 179.01 1gnl h PHE 71 N 0.33 0.82 0.00 1.13 3.04 -1.20 -1.73 116.94 119.34 1gnl h PHE 71 Ca 0.09 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1gnl h PHE 71 Cb -0.01 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.26 1gnl h PHE 71 CO -0.05 0.71 -0.02 0.00 -2.02 0.00 0.00 178.31 176.94 1gnl h ALA 72 N 1.34 1.25 -0.33 2.41 0.00 -0.86 -1.81 119.26 121.26 1gnl h ALA 72 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1gnl h ALA 72 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1gnl h ALA 72 CO 0.00 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.52 1gnl n THR 73 N -3.47 0.42 -2.35 0.00 -2.24 -0.66 -3.60 114.28 102.38 1gnl n THR 73 Ca -0.03 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.71 1gnl n THR 73 Cb 0.11 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.39 1gnl n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1gnl s ILE 74 N -1.58 3.37 0.13 2.28 1.01 -0.68 -4.93 121.20 120.79 1gnl s ILE 74 Ca 0.37 0.85 -0.35 0.00 0.00 0.00 0.00 60.65 61.52 1gnl s ILE 74 Cb 0.22 -3.34 -0.15 0.00 0.01 0.00 0.00 42.46 39.20 1gnl s ILE 74 CO 0.32 -0.19 1.41 0.41 0.00 0.00 0.00 174.94 176.89 1gnl n THR 75 N -1.20 0.14 -1.80 2.92 -1.04 -1.26 -1.95 114.28 110.08 1gnl n THR 75 Ca 0.11 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 61.94 1gnl n THR 75 Cb 0.51 -1.11 -0.04 0.00 -1.82 0.00 0.00 70.33 67.88 1gnl n THR 75 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1gnl n ASN 76 N 2.76 -4.63 -0.10 8.00 3.02 -1.26 -4.80 115.26 118.25 1gnl n ASN 76 Ca 0.17 0.20 -0.15 0.00 -0.03 0.00 0.00 54.58 54.77 1gnl n ASN 76 Cb 0.24 -3.58 -0.06 0.00 -0.61 0.00 0.00 39.78 35.77 1gnl n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gnl n ALA 77 N -0.04 0.81 -3.65 5.41 0.00 -0.82 -0.92 120.51 121.29 1gnl n ALA 77 Ca -0.16 -0.70 -0.14 0.00 0.00 0.00 0.00 53.44 52.43 1gnl n ALA 77 Cb 0.55 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 1gnl n ALA 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1gnl s ASN 78 N -6.42 0.49 -0.01 0.00 3.84 -1.24 -1.94 114.94 109.67 1gnl s ASN 78 Ca -0.27 0.49 0.10 0.00 0.21 0.00 0.00 52.86 53.39 1gnl s ASN 78 Cb 0.06 0.59 0.28 0.00 -0.55 0.00 0.00 41.25 41.63 1gnl s ASN 78 CO 0.42 -0.25 1.23 0.49 -2.79 0.00 0.00 177.10 176.21 1gnl n PHE 79 N 5.34 0.44 -3.17 0.43 3.01 -0.25 -4.91 117.46 118.35 1gnl n PHE 79 Ca -0.06 -0.53 -0.44 0.00 1.01 0.00 0.00 57.45 57.43 1gnl n PHE 79 Cb 0.50 -0.05 -0.06 0.00 -0.01 0.00 0.00 39.48 39.86 1gnl n PHE 79 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1gnl s ASP 80 N -1.08 6.21 0.33 4.37 -1.08 -1.25 -4.53 116.67 119.64 1gnl s ASP 80 Ca 0.22 -1.03 0.02 0.00 -0.52 0.00 0.00 52.55 51.24 1gnl s ASP 80 Cb 0.12 -2.28 0.57 0.00 -1.46 0.00 0.00 42.92 39.87 1gnl s ASP 80 CO 0.13 -0.90 1.92 0.44 0.52 0.00 0.00 175.17 177.27 1gnl h ASP 81 N 9.00 0.64 -0.54 -0.34 3.32 -1.97 -1.16 116.42 125.38 1gnl h ASP 81 Ca -0.28 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1gnl h ASP 81 Cb 1.10 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1gnl h ASP 81 CO 0.98 0.59 0.27 0.44 -1.72 0.00 0.00 179.24 179.80 1gnl h ASP 82 N 0.70 0.71 -0.32 6.45 5.19 -1.99 0.22 116.42 127.38 1gnl h ASP 82 Ca 0.17 -0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 1gnl h ASP 82 Cb 0.16 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1gnl h ASP 82 CO -0.01 0.63 0.00 0.40 -3.12 0.00 0.00 179.24 177.14 1gnl h ILE 83 N 0.73 1.26 -0.48 0.35 1.08 -1.85 -1.87 117.51 116.72 1gnl h ILE 83 Ca 0.19 -0.94 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 1gnl h ILE 83 Cb 0.11 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1gnl h ILE 83 CO -0.02 0.31 0.19 -0.07 -0.69 0.00 0.00 178.15 177.86 1gnl h LEU 84 N 0.36 0.67 -0.89 1.44 3.38 -1.06 -0.56 115.31 118.65 1gnl h LEU 84 Ca 0.09 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1gnl h LEU 84 Cb 0.43 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1gnl h LEU 84 CO 0.02 0.66 0.41 0.00 0.09 0.00 0.00 178.44 179.61 1gnl h ALA 85 N 1.04 1.14 -0.38 1.53 0.00 -0.92 -1.53 119.26 120.14 1gnl h ALA 85 Ca 0.16 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1gnl h ALA 85 Cb 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1gnl h ALA 85 CO -0.01 0.66 -0.17 1.49 0.00 0.00 0.00 179.25 181.21 1gnl h GLU 86 N 1.19 0.71 -0.61 0.00 4.57 -0.93 -1.50 114.58 118.01 1gnl h GLU 86 Ca 0.29 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1gnl h GLU 86 Cb 0.11 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1gnl h GLU 86 CO -0.04 0.84 0.27 0.00 -1.18 0.00 0.00 179.01 178.91 1gnl h ARG 87 N 0.63 0.87 -0.24 1.92 3.08 -0.55 0.39 114.38 120.49 1gnl h ARG 87 Ca 0.10 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1gnl h ARG 87 Cb 0.65 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1gnl h ARG 87 CO 0.05 0.69 0.15 0.28 -1.07 0.00 0.00 179.97 180.07 1gnl h VAL 88 N 0.87 1.08 -0.45 2.04 2.07 -0.70 -0.64 116.25 120.52 1gnl h VAL 88 Ca 0.21 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1gnl h VAL 88 Cb 0.12 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1gnl h VAL 88 CO -0.02 0.08 0.29 0.03 0.02 0.00 0.00 177.57 177.97 1gnl h ARG 89 N 0.31 0.60 -0.59 1.57 3.08 -0.78 -0.28 114.38 118.30 1gnl h ARG 89 Ca 0.09 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1gnl h ARG 89 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1gnl h ARG 89 CO -0.02 0.41 0.21 1.98 -1.07 0.00 0.00 179.97 181.48 1gnl h MET 90 N 0.61 0.87 -0.32 0.04 4.05 -0.78 -0.64 114.93 118.75 1gnl h MET 90 Ca 0.17 -0.15 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 1gnl h MET 90 Cb -0.05 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 1gnl h MET 90 CO -0.03 0.73 -0.41 1.15 0.23 0.00 0.00 176.91 178.57 1gnl h THR 91 N 0.85 1.28 -0.66 -0.77 2.02 -0.69 -0.67 112.91 114.27 1gnl h THR 91 Ca 0.20 -1.59 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 1gnl h THR 91 Cb 0.21 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 1gnl h THR 91 CO -0.01 0.52 0.39 0.00 0.37 0.00 0.00 175.52 176.79 1gnl h ALA 93 N 1.20 0.43 -0.40 0.00 0.00 -1.00 -1.51 119.26 117.98 1gnl h ALA 93 Ca 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1gnl h ALA 93 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1gnl h ALA 93 CO -0.04 0.08 0.15 0.00 0.00 0.00 0.00 179.25 179.44 1gnl h ALA 94 N 0.93 0.52 -0.02 0.00 0.00 -0.90 -2.28 119.26 117.51 1gnl h ALA 94 Ca 0.10 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1gnl h ALA 94 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1gnl h ALA 94 CO -0.00 0.14 -0.65 1.57 0.00 0.00 0.00 179.25 180.31 1gnl h LYS 95 N 0.50 0.09 -0.43 0.00 2.10 -0.99 -1.22 116.57 116.62 1gnl h LYS 95 Ca 0.13 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.69 1gnl h LYS 95 Cb 0.21 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 1gnl h LYS 95 CO -0.01 0.71 0.17 -0.22 -2.00 0.00 0.00 179.45 178.09 1gnl h LYS 96 N 0.06 0.64 -0.42 0.07 3.64 -1.16 0.03 116.57 119.45 1gnl h LYS 96 Ca -0.01 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1gnl h LYS 96 Cb 1.16 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1gnl h LYS 96 CO 0.09 0.60 0.20 1.49 -2.27 0.00 0.00 179.45 179.56 1gnl h GLU 97 N 0.55 0.60 -0.59 1.90 4.57 -1.23 -2.47 114.58 117.91 1gnl h GLU 97 Ca 0.14 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1gnl h GLU 97 Cb 0.20 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1gnl h GLU 97 CO -0.01 0.52 0.26 -0.07 -1.18 0.00 0.00 179.01 178.53 1gnl h LEU 98 N 0.53 0.80 -1.87 1.64 3.38 -1.04 -2.39 115.31 116.36 1gnl h LEU 98 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1gnl h LEU 98 Cb 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1gnl h LEU 98 CO -0.02 0.73 0.02 0.00 0.09 0.00 0.00 178.44 179.26 1gnl h ALA 99 N 1.10 1.90 0.00 1.53 0.00 -0.83 -0.98 119.26 121.98 1gnl h ALA 99 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1gnl h ALA 99 Cb 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gnl h ALA 99 CO -0.02 0.08 -0.05 0.00 0.00 0.00 0.00 179.25 179.26 1gnl h ALA 100 N 1.93 1.20 0.00 0.00 0.00 -0.95 -1.12 119.26 120.31 1gnl h ALA 100 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gnl h ALA 100 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1gnl h ALA 100 CO -0.00 0.06 -0.29 0.77 0.00 0.00 0.00 179.25 179.80 1gnl h SER 101 N 0.00 0.00 -3.88 0.00 0.02 -1.19 -3.46 113.55 105.03 1gnl h SER 101 Ca -0.00 -0.02 -0.51 0.00 -0.84 0.00 0.00 61.79 60.41 1gnl h SER 101 Cb 0.22 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.81 1gnl h SER 101 CO 0.01 0.01 0.56 -0.76 -1.14 0.00 0.00 176.83 175.50 1gnl s LEU 102 N -5.52 4.38 -0.07 5.07 1.43 -0.43 -4.95 118.68 118.60 1gnl s LEU 102 Ca 0.06 2.48 -0.26 0.00 -1.03 0.00 0.00 54.13 55.39 1gnl s LEU 102 Cb 0.08 -3.76 -0.24 0.00 0.03 0.00 0.00 46.19 42.30 1gnl s LEU 102 CO 0.69 -0.49 0.97 0.74 0.23 0.00 0.00 176.35 178.50 1gnl h THR 103 N 2.82 1.59 -3.51 5.49 2.02 -1.90 -3.44 112.91 115.99 1gnl h THR 103 Ca -0.48 -2.02 -0.66 0.00 0.77 0.00 0.00 66.41 64.02 1gnl h THR 103 Cb 1.23 2.90 -0.26 0.00 -1.74 0.00 0.00 68.15 70.28 1gnl h THR 103 CO 0.65 0.54 -0.68 -0.62 0.37 0.00 0.00 175.52 175.79 1gnl s ASP 104 N -6.28 4.69 0.00 4.18 2.15 -1.26 -4.97 116.67 115.17 1gnl s ASP 104 Ca -0.16 -0.34 0.25 0.00 0.43 0.00 0.00 52.55 52.72 1gnl s ASP 104 Cb -0.00 -1.82 0.43 0.00 -0.30 0.00 0.00 42.92 41.23 1gnl s ASP 104 CO 0.73 -0.04 1.40 0.29 -0.17 0.00 0.00 175.17 177.38 1gnl n LYS 105 N 4.85 2.18 -1.72 4.34 4.01 -1.26 -4.99 118.16 125.57 1gnl n LYS 105 Ca -0.17 -1.72 -0.42 0.00 -0.51 0.00 0.00 58.31 55.49 1gnl n LYS 105 Cb 0.51 -1.47 -0.00 0.00 -0.51 0.00 0.00 35.03 33.56 1gnl n LYS 105 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1gnl n SER 106 N 1.06 3.01 0.00 4.39 7.64 -1.26 -2.88 113.62 125.58 1gnl n SER 106 Ca 0.16 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1gnl n SER 106 Cb 0.54 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1gnl n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gnl n GLY 107 N 0.69 0.89 3.74 0.23 0.00 -1.26 -5.00 105.19 104.48 1gnl n GLY 107 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1gnl n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gnl s LEU 108 N 0.00 4.38 0.89 0.99 1.43 -1.14 -4.98 118.68 120.24 1gnl s LEU 108 Ca 0.00 2.70 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 1gnl s LEU 108 Cb 0.00 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.72 1gnl s LEU 108 CO 0.00 -0.76 1.10 -0.94 0.23 0.00 0.00 176.35 175.97 1gnl s SER 109 N 0.57 3.63 0.31 2.29 1.04 -1.26 -4.86 113.70 115.41 1gnl s SER 109 Ca 0.62 1.34 0.01 0.00 0.48 0.00 0.00 55.95 58.40 1gnl s SER 109 Cb -0.43 -2.02 0.53 0.00 0.10 0.00 0.00 66.02 64.20 1gnl s SER 109 CO 0.41 -2.52 1.93 -0.78 0.98 0.00 0.00 173.24 173.26 1gnl h ASP 110 N -1.47 0.89 -0.93 7.02 3.58 -1.98 -1.59 116.42 121.94 1gnl h ASP 110 Ca -0.50 0.00 0.02 0.00 0.42 0.00 0.00 57.03 56.98 1gnl h ASP 110 Cb 1.29 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 42.10 1gnl h ASP 110 CO 0.57 0.59 0.61 0.00 -2.88 0.00 0.00 179.24 178.13 1gnl h ALA 111 N 1.51 1.37 -0.37 -0.78 0.00 -1.92 0.30 119.26 119.37 1gnl h ALA 111 Ca 0.37 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1gnl h ALA 111 Cb 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1gnl h ALA 111 CO -0.13 0.55 -0.14 0.00 0.00 0.00 0.00 179.25 179.54 1gnl h ALA 112 N 1.44 1.05 0.01 0.00 0.00 -1.53 -3.34 119.26 116.89 1gnl h ALA 112 Ca 0.36 -0.32 -0.33 0.00 0.00 0.00 0.00 54.91 54.62 1gnl h ALA 112 Cb -0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1gnl h ALA 112 CO -0.10 0.58 -2.01 1.28 0.00 0.00 0.00 179.25 179.00 1gnl n LEU 113 N -4.16 0.75 -4.77 0.00 4.77 -0.75 -4.80 117.00 108.04 1gnl n LEU 113 Ca 0.01 0.23 -0.40 0.00 -0.03 0.00 0.00 56.01 55.82 1gnl n LEU 113 Cb 0.37 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1gnl n LEU 113 CO 0.42 0.48 0.92 0.86 -1.33 0.00 0.00 177.39 178.74 1gnl s TRP 114 N -2.55 3.13 0.06 -1.77 -0.00 0.10 -5.04 118.94 112.86 1gnl s TRP 114 Ca -0.09 1.49 -0.09 0.00 -0.00 0.00 0.00 56.10 57.41 1gnl s TRP 114 Cb 0.07 -3.55 0.00 0.00 -0.00 0.00 0.00 33.47 29.99 1gnl s TRP 114 CO 0.81 -1.54 0.19 -1.83 -0.00 0.00 0.00 176.95 174.58 1gnl s GLU 115 N -1.87 0.75 -0.06 5.86 -1.05 -1.26 -4.95 118.70 116.13 1gnl s GLU 115 Ca 0.50 -0.76 -0.23 0.00 -0.15 0.00 0.00 54.97 54.33 1gnl s GLU 115 Cb -0.37 0.31 0.05 0.00 -0.44 0.00 0.00 34.13 33.68 1gnl s GLU 115 CO 0.48 -0.23 0.53 0.00 0.95 0.00 0.00 175.26 176.99 1gnl s ALA 116 N -3.07 -1.35 -0.07 -0.84 0.00 -1.26 -5.04 121.76 110.13 1gnl s ALA 116 Ca -0.01 0.98 0.10 0.00 0.00 0.00 0.00 51.96 53.03 1gnl s ALA 116 Cb 0.01 -0.09 -0.15 0.00 0.00 0.00 0.00 23.12 22.89 1gnl s ALA 116 CO -0.07 -0.32 0.13 -1.13 0.00 0.00 0.00 175.76 174.37 1gnl n SER 117 N 1.28 2.36 -4.74 0.00 3.41 -1.26 -4.62 113.62 110.04 1gnl n SER 117 Ca -0.19 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.02 1gnl n SER 117 Cb 0.56 1.08 -0.05 0.00 -0.26 0.00 0.00 64.21 65.54 1gnl n SER 117 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1gnl s GLU 118 N -2.48 4.44 0.26 4.33 0.41 -1.26 -4.96 118.70 119.43 1gnl s GLU 118 Ca -0.05 0.93 -0.03 0.00 -0.41 0.00 0.00 54.97 55.41 1gnl s GLU 118 Cb 0.05 -3.39 0.41 0.00 -1.78 0.00 0.00 34.13 29.42 1gnl s GLU 118 CO 0.46 0.21 1.86 -0.22 -0.49 0.00 0.00 175.26 177.08 1gnl h LYS 119 N 6.09 1.02 -1.00 1.61 3.64 -1.97 -1.80 116.57 124.16 1gnl h LYS 119 Ca -0.43 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 58.99 1gnl h LYS 119 Cb 1.20 -0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 32.72 1gnl h LYS 119 CO 0.72 0.67 0.64 0.66 -2.27 0.00 0.00 179.45 179.87 1gnl h SER 120 N 1.05 0.97 0.25 4.20 4.64 -2.00 -0.28 113.55 122.38 1gnl h SER 120 Ca 0.43 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.64 1gnl h SER 120 Cb 0.25 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1gnl h SER 120 CO -0.20 0.56 -0.51 0.00 -0.87 0.00 0.00 176.83 175.81 1gnl h ALA 121 N 1.51 0.93 -0.44 5.18 0.00 -1.75 -1.88 119.26 122.82 1gnl h ALA 121 Ca 0.47 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1gnl h ALA 121 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1gnl h ALA 121 CO -0.22 0.67 0.05 0.52 0.00 0.00 0.00 179.25 180.27 1gnl h MET 122 N 0.23 0.74 -0.61 0.00 2.07 -0.75 -1.45 114.93 115.16 1gnl h MET 122 Ca 0.01 -0.21 -0.04 0.00 -2.07 0.00 0.00 59.70 57.39 1gnl h MET 122 Cb 0.98 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 30.60 1gnl h MET 122 CO 0.08 0.78 0.23 -0.07 1.07 0.00 0.00 176.91 179.00 1gnl h LEU 123 N 0.60 0.86 -0.39 1.22 3.38 -0.95 -0.41 115.31 119.62 1gnl h LEU 123 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1gnl h LEU 123 Cb 0.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1gnl h LEU 123 CO 0.01 0.81 0.17 0.00 0.09 0.00 0.00 178.44 179.52 1gnl h ALA 124 N 1.08 0.50 -0.67 1.53 0.00 -1.27 -2.82 119.26 117.61 1gnl h ALA 124 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1gnl h ALA 124 Cb 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1gnl h ALA 124 CO -0.01 0.09 0.35 -0.22 0.00 0.00 0.00 179.25 179.45 1gnl h LYS 125 N 0.48 0.95 -1.00 0.00 1.63 -1.04 -2.44 116.57 115.15 1gnl h LYS 125 Ca 0.13 -0.12 0.18 0.00 -0.85 0.00 0.00 60.65 59.98 1gnl h LYS 125 Cb 0.16 -0.18 -0.10 0.00 -0.60 0.00 0.00 32.23 31.51 1gnl h LYS 125 CO -0.01 0.73 0.62 0.00 -3.45 0.00 0.00 179.45 177.33 1gnl h ALA 126 N 1.17 1.66 -0.04 5.00 0.00 -0.83 -0.83 119.26 125.38 1gnl h ALA 126 Ca 0.23 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1gnl h ALA 126 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1gnl h ALA 126 CO -0.03 -0.01 0.15 0.78 0.00 0.00 0.00 179.25 180.14 1gnl h GLY 127 N 0.80 0.00 -0.41 0.00 0.00 -1.22 -2.29 103.07 99.95 1gnl h GLY 127 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1gnl h GLY 127 CO -0.35 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 174.89 1gnl n THR 128 N -3.22 1.19 -1.11 4.70 -2.24 -0.33 -4.64 114.28 108.64 1gnl n THR 128 Ca -0.02 -1.21 0.02 0.00 -2.27 0.00 0.00 64.05 60.58 1gnl n THR 128 Cb 0.22 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1gnl n THR 128 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1gnl n VAL 129 N -0.37 0.65 -0.85 2.28 0.24 -0.87 -4.77 118.33 114.64 1gnl n VAL 129 Ca 0.06 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1gnl n VAL 129 Cb 0.38 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 1gnl n VAL 129 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gnl n GLY 130 N -0.44 -0.62 0.29 7.63 0.00 -1.17 -4.84 105.19 106.04 1gnl n GLY 130 Ca 0.04 -1.71 0.05 0.00 0.00 0.00 0.00 46.02 44.40 1gnl n GLY 130 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gnl h VAL 131 N -0.52 0.77 0.00 1.61 2.07 -1.94 -0.94 116.25 117.30 1gnl h VAL 131 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1gnl h VAL 131 Cb 0.00 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1gnl h VAL 131 CO 0.00 0.11 0.00 0.23 0.02 0.00 0.00 177.57 177.93 1gnl n MET 132 N -4.88 0.25 0.27 1.57 2.81 -1.26 -3.05 117.12 112.83 1gnl n MET 132 Ca 0.14 0.13 0.12 0.00 -1.81 0.00 0.00 57.70 56.28 1gnl n MET 132 Cb 0.37 -1.50 0.76 0.00 -0.71 0.00 0.00 33.22 32.14 1gnl n MET 132 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gnl h ALA 133 N 2.78 1.51 -2.61 3.04 0.00 -1.47 -3.38 119.26 119.13 1gnl h ALA 133 Ca 0.00 -0.06 -0.63 0.00 0.00 0.00 0.00 54.91 54.22 1gnl h ALA 133 Cb 0.15 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 1gnl h ALA 133 CO 0.00 0.09 -0.12 0.99 0.00 0.00 0.00 179.25 180.21 1gnl s THR 134 N -4.52 5.10 -0.04 0.00 2.01 -1.17 -4.98 115.64 112.03 1gnl s THR 134 Ca -0.04 0.62 -0.24 0.00 0.31 0.00 0.00 61.69 62.35 1gnl s THR 134 Cb 0.15 -3.81 -0.18 0.00 0.01 0.00 0.00 72.50 68.67 1gnl s THR 134 CO 0.59 0.05 1.02 0.71 -0.69 0.00 0.00 174.62 176.30 1gnl h THR 135 N 5.44 1.10 -2.61 -0.82 1.35 -1.90 -3.45 112.91 112.02 1gnl h THR 135 Ca -0.30 -1.20 -0.52 0.00 -0.55 0.00 0.00 66.41 63.84 1gnl h THR 135 Cb 1.15 1.81 0.04 0.00 -1.73 0.00 0.00 68.15 69.42 1gnl h THR 135 CO 0.70 0.27 1.05 -0.62 -0.25 0.00 0.00 175.52 176.67 1gnl s ASP 136 N -5.58 6.44 0.17 5.36 2.15 -1.26 -4.93 116.67 119.03 1gnl s ASP 136 Ca -0.14 2.75 -0.14 0.00 0.43 0.00 0.00 52.55 55.45 1gnl s ASP 136 Cb 0.01 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 40.16 1gnl s ASP 136 CO 0.56 -0.97 1.79 0.44 -0.17 0.00 0.00 175.17 176.82 1gnl h ASP 137 N 7.93 0.36 0.04 -0.34 5.19 -1.99 -0.03 116.42 127.58 1gnl h ASP 137 Ca -0.45 0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 55.84 1gnl h ASP 137 Cb 1.21 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.69 1gnl h ASP 137 CO 0.95 0.25 -0.61 0.44 -3.12 0.00 0.00 179.24 177.15 1gnl h ASP 138 N 0.49 0.47 -0.68 6.45 3.32 -1.98 -1.03 116.42 123.45 1gnl h ASP 138 Ca 0.21 -0.82 0.01 0.00 0.02 0.00 0.00 57.03 56.45 1gnl h ASP 138 Cb 0.11 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1gnl h ASP 138 CO -0.14 1.23 0.44 0.58 -1.72 0.00 0.00 179.24 179.64 1gnl h VAL 139 N -0.25 1.15 0.08 -1.35 2.07 -1.97 -0.94 116.25 115.04 1gnl h VAL 139 Ca -0.09 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1gnl h VAL 139 Cb 1.36 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1gnl h VAL 139 CO 0.12 0.16 -0.06 -0.09 0.02 0.00 0.00 177.57 177.72 1gnl h ARG 140 N 0.89 -0.14 -0.35 1.57 2.43 -0.99 -0.00 114.38 117.79 1gnl h ARG 140 Ca 0.25 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.48 1gnl h ARG 140 Cb -0.07 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1gnl h ARG 140 CO -0.07 -0.09 0.10 1.03 -1.51 0.00 0.00 179.97 179.43 1gnl h SER 141 N -0.14 0.08 -0.34 -3.80 0.87 -1.00 -1.67 113.55 107.55 1gnl h SER 141 Ca -0.00 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 1gnl h SER 141 Cb 0.13 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1gnl h SER 141 CO -0.01 0.08 -0.38 -0.07 -0.53 0.00 0.00 176.83 175.92 1gnl h LEU 142 N 0.23 0.92 -0.71 2.23 3.38 -1.04 -0.45 115.31 119.86 1gnl h LEU 142 Ca 0.16 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1gnl h LEU 142 Cb 0.15 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1gnl h LEU 142 CO -0.18 1.21 0.40 0.03 0.09 0.00 0.00 178.44 179.99 1gnl h ARG 143 N 0.64 0.71 0.10 1.13 3.08 -0.80 -0.13 114.38 119.11 1gnl h ARG 143 Ca 0.05 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 1gnl h ARG 143 Cb 0.97 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1gnl h ARG 143 CO 0.09 0.47 -1.18 -1.49 -1.07 0.00 0.00 179.97 176.79 1gnl h TRP 144 N 0.73 0.43 -0.37 3.04 4.06 -1.19 -0.48 115.95 122.17 1gnl h TRP 144 Ca 0.32 -0.31 0.03 0.00 2.06 0.00 0.00 58.89 61.00 1gnl h TRP 144 Cb 0.22 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.33 1gnl h TRP 144 CO -0.07 1.23 0.18 1.25 -3.56 0.00 0.00 178.44 177.46 1gnl h LEU 145 N 0.07 0.25 -0.20 -4.49 5.85 -0.89 0.96 115.31 116.87 1gnl h LEU 145 Ca -0.11 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1gnl h LEU 145 Cb 1.91 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 1gnl h LEU 145 CO 0.19 0.19 0.08 0.40 -0.34 0.00 0.00 178.44 178.96 1gnl h ILE 146 N 0.37 1.15 -0.52 4.05 2.04 -0.99 -0.73 117.51 122.88 1gnl h ILE 146 Ca 0.16 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1gnl h ILE 146 Cb 0.08 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1gnl h ILE 146 CO -0.12 0.15 0.28 0.74 0.00 0.00 0.00 178.15 179.20 1gnl h THR 147 N 0.17 0.98 -0.54 -0.27 2.02 -0.69 0.98 112.91 115.56 1gnl h THR 147 Ca 0.07 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1gnl h THR 147 Cb 0.15 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1gnl h THR 147 CO -0.01 0.10 0.11 -0.26 0.37 0.00 0.00 175.52 175.83 1gnl h PHE 148 N 0.54 0.94 -0.89 3.16 0.04 -0.72 -0.87 116.94 119.14 1gnl h PHE 148 Ca 0.22 -0.12 0.06 0.00 2.80 0.00 0.00 57.97 60.93 1gnl h PHE 148 Cb 0.11 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 37.93 1gnl h PHE 148 CO -0.09 0.82 0.56 0.78 -0.60 0.00 0.00 178.31 179.79 1gnl h GLY 149 N 0.78 1.35 1.45 -1.45 0.00 -0.65 -2.16 103.07 102.39 1gnl h GLY 149 Ca 0.17 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1gnl h GLY 149 CO 0.01 0.28 -0.00 1.41 0.00 0.00 0.00 176.54 178.24 1gnl h LEU 150 N 1.02 0.64 -0.29 3.11 3.38 -0.35 -0.40 115.31 122.42 1gnl h LEU 150 Ca 0.39 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1gnl h LEU 150 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1gnl h LEU 150 CO -0.17 0.71 0.17 0.11 0.09 0.00 0.00 178.44 179.34 1gnl h LYS 151 N 0.64 0.39 -0.56 1.13 1.57 -0.57 0.46 116.57 119.63 1gnl h LYS 151 Ca 0.13 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1gnl h LYS 151 Cb 0.40 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1gnl h LYS 151 CO 0.02 0.32 0.24 0.78 -0.57 0.00 0.00 179.45 180.24 1gnl h GLY 152 N 0.36 0.88 0.75 3.86 0.00 -1.03 -1.16 103.07 106.73 1gnl h GLY 152 Ca 0.10 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.01 1gnl h GLY 152 CO -0.02 0.44 0.22 1.98 0.00 0.00 0.00 176.54 179.16 1gnl h MET 153 N 0.76 0.43 -0.70 4.80 1.85 -0.94 -2.34 114.93 118.80 1gnl h MET 153 Ca 0.19 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.22 1gnl h MET 153 Cb 0.17 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.07 1gnl h MET 153 CO -0.02 0.29 0.31 0.00 -0.40 0.00 0.00 176.91 177.09 1gnl h ALA 154 N 1.25 1.23 -0.17 0.39 0.00 -0.53 0.21 119.26 121.64 1gnl h ALA 154 Ca 0.20 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1gnl h ALA 154 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1gnl h ALA 154 CO -0.14 0.58 0.09 0.00 0.00 0.00 0.00 179.25 179.78 1gnl h ALA 155 N 1.34 0.20 -0.51 0.00 0.00 -0.76 0.11 119.26 119.64 1gnl h ALA 155 Ca 0.24 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1gnl h ALA 155 Cb 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1gnl h ALA 155 CO -0.03 -0.34 0.02 1.88 0.00 0.00 0.00 179.25 180.79 1gnl h TYR 156 N 0.19 0.97 -0.87 0.00 0.05 -1.16 -1.91 116.97 114.25 1gnl h TYR 156 Ca 0.06 -0.16 0.04 0.00 0.05 0.00 0.00 58.73 58.72 1gnl h TYR 156 Cb -0.00 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.44 1gnl h TYR 156 CO -0.08 0.89 0.57 0.00 -1.05 0.00 0.00 178.16 178.49 1gnl h ALA 157 N 0.95 1.46 -0.41 3.88 0.00 -0.78 -1.86 119.26 122.50 1gnl h ALA 157 Ca 0.15 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1gnl h ALA 157 Cb 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1gnl h ALA 157 CO 0.02 0.45 -0.22 -0.22 0.00 0.00 0.00 179.25 179.28 1gnl h LYS 158 N 1.08 0.88 -0.75 0.00 3.64 -0.29 -0.68 116.57 120.46 1gnl h LYS 158 Ca 0.35 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1gnl h LYS 158 Cb 0.03 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1gnl h LYS 158 CO -0.10 1.04 0.33 0.45 -2.27 0.00 0.00 179.45 178.90 1gnl h HIS 159 N 0.69 1.09 -0.64 1.91 3.86 -1.05 0.04 115.15 121.05 1gnl h HIS 159 Ca 0.09 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1gnl h HIS 159 Cb 0.79 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 1gnl h HIS 159 CO 0.06 0.80 0.28 0.00 0.86 0.00 0.00 177.93 179.93 1gnl h ALA 160 N 1.29 0.82 -0.79 2.45 0.00 -1.01 -2.79 119.26 119.23 1gnl h ALA 160 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1gnl h ALA 160 Cb 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1gnl h ALA 160 CO -0.03 0.41 0.40 0.22 0.00 0.00 0.00 179.25 180.25 1gnl h ASP 161 N 0.88 1.02 -0.58 0.00 3.58 -0.51 -0.45 116.42 120.35 1gnl h ASP 161 Ca 0.22 -0.12 0.11 0.00 0.42 0.00 0.00 57.03 57.65 1gnl h ASP 161 Cb 0.16 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 1gnl h ASP 161 CO -0.02 0.86 0.40 0.58 -2.88 0.00 0.00 179.24 178.17 1gnl h VAL 162 N 1.11 0.87 -0.51 2.25 2.07 -0.82 0.16 116.25 121.38 1gnl h VAL 162 Ca 0.27 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1gnl h VAL 162 Cb 0.09 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1gnl h VAL 162 CO -0.04 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.80 1gnl n LEU 163 N -4.46 2.88 0.00 2.57 4.77 -0.72 -4.27 117.00 117.76 1gnl n LEU 163 Ca 0.10 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 1gnl n LEU 163 Cb 0.41 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1gnl n LEU 163 CO 0.34 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1gnl n GLY 164 N 1.25 0.79 3.28 -0.72 0.00 0.04 -5.03 105.19 104.82 1gnl n GLY 164 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1gnl n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gnl s LYS 165 N -0.60 3.24 -0.05 1.61 1.02 -0.26 -4.96 119.74 119.73 1gnl s LYS 165 Ca 0.00 -0.75 -0.15 0.00 0.02 0.00 0.00 55.97 55.09 1gnl s LYS 165 Cb 0.00 -2.59 0.03 0.00 -0.52 0.00 0.00 37.83 34.74 1gnl s LYS 165 CO 0.00 0.07 0.35 -3.38 -0.92 0.00 0.00 175.35 171.47 1gnl s HIS 166 N 0.67 -0.27 -0.12 3.18 -3.43 -1.26 -2.03 115.29 112.03 1gnl s HIS 166 Ca -0.08 0.53 0.02 0.00 -0.80 0.00 0.00 55.06 54.73 1gnl s HIS 166 Cb -0.16 0.13 0.01 0.00 -1.43 0.00 0.00 32.58 31.13 1gnl s HIS 166 CO 0.02 -0.35 -0.18 -1.21 -2.00 0.00 0.00 174.74 171.02 1gnl s GLU 167 N -0.88 2.51 0.29 -0.38 2.02 -1.26 -5.03 118.70 115.97 1gnl s GLU 167 Ca -0.10 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.25 1gnl s GLU 167 Cb -0.04 -2.07 0.60 0.00 0.10 0.00 0.00 34.13 32.72 1gnl s GLU 167 CO 0.04 -0.02 1.83 -0.97 0.02 0.00 0.00 175.26 176.15 1gnl h ASN 168 N 7.31 0.90 -0.07 -0.19 -1.24 -2.01 -1.02 115.58 119.25 1gnl h ASN 168 Ca -0.30 0.05 -0.04 0.00 0.71 0.00 0.00 56.30 56.72 1gnl h ASN 168 Cb 1.19 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.10 1gnl h ASN 168 CO 0.51 0.45 -0.07 0.77 -1.29 0.00 0.00 177.43 177.80 1gnl h SER 169 N 0.95 0.29 0.04 1.15 4.64 -1.98 0.37 113.55 119.01 1gnl h SER 169 Ca 0.51 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1gnl h SER 169 Cb 0.56 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1gnl h SER 169 CO -0.28 0.40 -0.02 0.25 -0.87 0.00 0.00 176.83 176.32 1gnl h LEU 170 N 0.30 -0.05 -0.71 5.97 5.85 -1.63 -1.19 115.31 123.86 1gnl h LEU 170 Ca 0.07 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1gnl h LEU 170 Cb 0.32 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1gnl h LEU 170 CO 0.01 0.55 0.32 0.44 -0.34 0.00 0.00 178.44 179.42 1gnl h ASP 171 N -0.68 0.95 -0.57 1.25 3.32 -1.37 -1.22 116.42 118.10 1gnl h ASP 171 Ca -0.01 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1gnl h ASP 171 Cb 0.60 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1gnl h ASP 171 CO 0.01 0.83 0.33 0.00 -1.72 0.00 0.00 179.24 178.69 1gnl h ALA 172 N 1.15 0.72 -0.22 3.45 0.00 -0.97 -2.06 119.26 121.33 1gnl h ALA 172 Ca 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1gnl h ALA 172 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1gnl h ALA 172 CO -0.03 0.22 0.13 0.35 0.00 0.00 0.00 179.25 179.93 1gnl h PHE 173 N 0.76 0.30 -0.80 0.00 3.57 -0.89 -0.66 116.94 119.21 1gnl h PHE 173 Ca 0.20 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1gnl h PHE 173 Cb 0.01 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 1gnl h PHE 173 CO -0.02 0.23 0.49 0.52 -2.23 0.00 0.00 178.31 177.30 1gnl h MET 174 N 0.27 0.87 -0.28 1.11 2.86 -0.98 0.10 114.93 118.89 1gnl h MET 174 Ca 0.08 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.50 1gnl h MET 174 Cb 0.02 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 1gnl h MET 174 CO -0.01 0.57 -0.48 1.96 1.06 0.00 0.00 176.91 180.01 1gnl h GLN 175 N 0.90 0.77 -0.29 1.72 4.20 -1.21 -1.04 115.11 120.14 1gnl h GLN 175 Ca 0.35 -0.45 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1gnl h GLN 175 Cb 0.17 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1gnl h GLN 175 CO -0.17 1.08 -0.16 1.49 -0.67 0.00 0.00 178.83 180.39 1gnl h GLU 176 N 0.61 0.63 -0.55 1.46 4.81 -0.58 -2.35 114.58 118.60 1gnl h GLU 176 Ca 0.03 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 1gnl h GLU 176 Cb 1.06 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1gnl h GLU 176 CO 0.10 0.87 0.09 0.00 -0.73 0.00 0.00 179.01 179.34 1gnl h ALA 177 N 0.75 0.72 -0.52 2.92 0.00 -0.77 -0.53 119.26 121.83 1gnl h ALA 177 Ca 0.06 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1gnl h ALA 177 Cb 0.69 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1gnl h ALA 177 CO 0.05 0.47 0.20 -0.07 0.00 0.00 0.00 179.25 179.89 1gnl h LEU 178 N 0.79 0.22 -0.74 0.00 3.38 -1.16 -2.15 115.31 115.65 1gnl h LEU 178 Ca 0.17 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1gnl h LEU 178 Cb 0.41 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1gnl h LEU 178 CO 0.01 0.15 0.32 0.00 0.09 0.00 0.00 178.44 179.01 1gnl h ALA 179 N 1.34 0.96 -0.23 1.53 0.00 -0.97 -2.54 119.26 119.34 1gnl h ALA 179 Ca 0.25 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1gnl h ALA 179 Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1gnl h ALA 179 CO -0.25 0.56 0.16 0.87 0.00 0.00 0.00 179.25 180.59 1gnl h LYS 180 N 1.06 0.20 0.00 0.00 1.57 -0.48 -1.49 116.57 117.43 1gnl h LYS 180 Ca 0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1gnl h LYS 180 Cb 0.17 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1gnl h LYS 180 CO -0.03 0.13 0.00 0.25 -0.57 0.00 0.00 179.45 179.24 1gnl n THR 181 N -4.50 0.99 0.35 -0.16 -2.24 -0.94 -1.64 114.28 106.15 1gnl n THR 181 Ca 0.01 0.25 0.07 0.00 -2.27 0.00 0.00 64.05 62.11 1gnl n THR 181 Cb 0.16 -1.04 0.10 0.00 -2.10 0.00 0.00 70.33 67.46 1gnl n THR 181 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gnl n LEU 182 N -1.43 2.52 -4.53 3.22 4.77 -0.56 -4.94 117.00 116.05 1gnl n LEU 182 Ca 0.04 -1.31 -0.43 0.00 -0.03 0.00 0.00 56.01 54.28 1gnl n LEU 182 Cb 0.13 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1gnl n LEU 182 CO 0.11 0.53 0.70 -0.62 -1.33 0.00 0.00 177.39 176.77 1gnl s ASP 183 N -1.15 6.39 0.12 -1.43 -1.08 -0.65 -4.90 116.67 113.96 1gnl s ASP 183 Ca 0.21 -0.21 0.19 0.00 -0.52 0.00 0.00 52.55 52.22 1gnl s ASP 183 Cb 0.13 -2.42 0.79 0.00 -1.46 0.00 0.00 42.92 39.96 1gnl s ASP 183 CO 0.19 -1.11 1.59 0.47 0.52 0.00 0.00 175.17 176.83 1gnl n ASP 184 N 7.19 0.30 0.09 -0.34 8.00 -1.26 -2.91 116.55 127.62 1gnl n ASP 184 Ca 0.03 0.57 0.13 0.00 0.71 0.00 0.00 54.79 56.23 1gnl n ASP 184 Cb 0.48 -0.64 0.41 0.00 -0.02 0.00 0.00 41.12 41.35 1gnl n ASP 184 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1gnl n SER 185 N -1.83 0.70 -4.74 -2.24 3.41 -1.26 -4.86 113.62 102.80 1gnl n SER 185 Ca 0.03 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.76 1gnl n SER 185 Cb 0.21 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.44 1gnl n SER 185 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gnl s LEU 186 N -4.30 4.48 0.79 1.04 1.43 -1.15 -5.03 118.68 115.94 1gnl s LEU 186 Ca 0.11 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 1gnl s LEU 186 Cb 0.13 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.82 1gnl s LEU 186 CO 0.60 -0.27 1.14 -0.94 0.23 0.00 0.00 176.35 177.11 1gnl s SER 187 N -0.10 4.56 0.20 2.29 1.04 -1.26 -4.90 113.70 115.52 1gnl s SER 187 Ca 0.50 0.69 -0.11 0.00 0.48 0.00 0.00 55.95 57.51 1gnl s SER 187 Cb -0.31 -1.21 0.16 0.00 0.10 0.00 0.00 66.02 64.76 1gnl s SER 187 CO 0.36 -1.85 1.83 0.58 0.98 0.00 0.00 173.24 175.15 1gnl h VAL 188 N -0.96 1.06 -0.92 5.02 2.07 -1.97 -1.21 116.25 119.33 1gnl h VAL 188 Ca -0.46 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1gnl h VAL 188 Cb 1.33 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1gnl h VAL 188 CO 0.64 0.13 0.61 0.00 0.02 0.00 0.00 177.57 178.98 1gnl h ALA 189 N 1.28 1.18 -0.92 1.67 0.00 -1.99 0.81 119.26 121.29 1gnl h ALA 189 Ca 0.26 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1gnl h ALA 189 Cb 0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 1gnl h ALA 189 CO -0.12 0.54 0.61 -0.44 0.00 0.00 0.00 179.25 179.85 1gnl h ASP 190 N 1.23 1.06 0.64 0.00 3.32 -1.75 -1.46 116.42 119.46 1gnl h ASP 190 Ca 0.34 -0.03 -0.22 0.00 0.02 0.00 0.00 57.03 57.14 1gnl h ASP 190 Cb -0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 1gnl h ASP 190 CO -0.08 0.77 -1.01 -0.07 -1.72 0.00 0.00 179.24 177.12 1gnl h LEU 191 N 1.25 0.29 -0.58 1.55 3.38 -0.24 -0.69 115.31 120.27 1gnl h LEU 191 Ca 0.34 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1gnl h LEU 191 Cb -0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1gnl h LEU 191 CO -0.07 1.13 0.18 0.58 0.09 0.00 0.00 178.44 180.35 1gnl h VAL 192 N 0.09 1.24 -0.45 1.22 2.07 -0.76 -0.10 116.25 119.57 1gnl h VAL 192 Ca -0.07 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.65 1gnl h VAL 192 Cb 1.69 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1gnl h VAL 192 CO 0.16 0.31 0.26 0.00 0.02 0.00 0.00 177.57 178.32 1gnl h ALA 193 N 1.05 0.57 -0.21 1.67 0.00 -1.13 -2.08 119.26 119.12 1gnl h ALA 193 Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1gnl h ALA 193 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1gnl h ALA 193 CO -0.01 -0.05 -0.11 1.25 0.00 0.00 0.00 179.25 180.33 1gnl h LEU 194 N 0.53 0.33 -0.32 0.00 5.85 -0.85 -0.14 115.31 120.70 1gnl h LEU 194 Ca 0.18 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1gnl h LEU 194 Cb 0.01 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1gnl h LEU 194 CO -0.08 0.48 0.18 0.74 -0.34 0.00 0.00 178.44 179.41 1gnl h THR 195 N 0.32 1.13 -0.28 1.05 2.02 -0.43 0.96 112.91 117.68 1gnl h THR 195 Ca 0.07 -0.33 -0.12 0.00 0.77 0.00 0.00 66.41 66.79 1gnl h THR 195 Cb 0.40 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1gnl h THR 195 CO 0.02 0.13 -0.34 -0.07 0.37 0.00 0.00 175.52 175.63 1gnl h LEU 196 N 0.40 0.63 -0.83 2.58 3.38 -0.91 -1.71 115.31 118.85 1gnl h LEU 196 Ca 0.11 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1gnl h LEU 196 Cb 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1gnl h LEU 196 CO -0.02 0.92 0.06 -0.08 0.09 0.00 0.00 178.44 179.42 1gnl h GLU 197 N 0.51 0.94 -0.69 1.13 4.81 -0.84 -1.68 114.58 118.77 1gnl h GLU 197 Ca 0.06 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1gnl h GLU 197 Cb 0.83 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1gnl h GLU 197 CO 0.07 0.89 0.46 1.15 -0.73 0.00 0.00 179.01 180.85 1gnl h THR 198 N 0.88 1.17 -0.73 0.32 2.02 -0.50 -1.19 112.91 114.88 1gnl h THR 198 Ca 0.18 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1gnl h THR 198 Cb 0.43 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1gnl h THR 198 CO 0.01 0.17 0.47 1.23 0.37 0.00 0.00 175.52 177.78 1gnl h GLY 199 N 0.94 1.05 0.99 2.16 0.00 -0.76 0.56 103.07 108.01 1gnl h GLY 199 Ca 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1gnl h GLY 199 CO -0.06 0.33 0.17 1.70 0.00 0.00 0.00 176.54 178.69 1gnl h LYS 200 N 0.94 0.35 0.00 4.80 3.64 -0.66 -1.28 116.57 124.35 1gnl h LYS 200 Ca 0.28 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1gnl h LYS 200 Cb -0.04 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1gnl h LYS 200 CO -0.09 0.23 -0.02 0.74 -2.27 0.00 0.00 179.45 178.04 1gnl h PHE 201 N 0.36 0.00 -0.39 1.91 0.04 -0.96 -1.85 116.94 116.05 1gnl h PHE 201 Ca 0.10 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1gnl h PHE 201 Cb -0.04 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1gnl h PHE 201 CO -0.06 0.02 0.17 0.78 -0.60 0.00 0.00 178.31 178.62 1gnl h GLY 202 N 1.82 0.62 0.82 -1.45 0.00 0.19 0.63 103.07 105.70 1gnl h GLY 202 Ca -0.00 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.03 1gnl h GLY 202 CO 0.00 0.31 0.28 -2.08 0.00 0.00 0.00 176.54 175.05 1gnl h VAL 203 N 0.49 1.01 -0.65 4.60 2.07 -0.60 -0.92 116.25 122.25 1gnl h VAL 203 Ca 0.13 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1gnl h VAL 203 Cb 0.16 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1gnl h VAL 203 CO -0.01 0.10 0.42 0.28 0.02 0.00 0.00 177.57 178.38 1gnl h SER 204 N 0.55 0.75 -0.46 0.57 0.02 -0.97 0.15 113.55 114.16 1gnl h SER 204 Ca 0.21 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1gnl h SER 204 Cb 0.07 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1gnl h SER 204 CO -0.12 0.55 0.08 0.00 -1.14 0.00 0.00 176.83 176.20 1gnl h ALA 205 N 1.23 0.61 -0.47 3.77 0.00 -0.63 -0.90 119.26 122.87 1gnl h ALA 205 Ca 0.24 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1gnl h ALA 205 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1gnl h ALA 205 CO -0.05 0.33 -0.00 0.52 0.00 0.00 0.00 179.25 180.05 1gnl h MET 206 N 0.62 0.77 -0.63 0.00 2.86 -0.82 -1.12 114.93 116.62 1gnl h MET 206 Ca 0.14 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1gnl h MET 206 Cb 0.38 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1gnl h MET 206 CO 0.01 0.78 0.08 0.00 1.06 0.00 0.00 176.91 178.83 1gnl h ALA 207 N 1.28 0.84 -0.30 6.32 0.00 -0.42 0.05 119.26 127.03 1gnl h ALA 207 Ca 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1gnl h ALA 207 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1gnl h ALA 207 CO 0.02 0.62 0.06 1.25 0.00 0.00 0.00 179.25 181.20 1gnl h LEU 208 N 0.96 0.46 -0.68 0.00 5.85 -0.89 -1.23 115.31 119.79 1gnl h LEU 208 Ca 0.19 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1gnl h LEU 208 Cb 0.47 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1gnl h LEU 208 CO 0.02 0.58 0.14 0.25 -0.34 0.00 0.00 178.44 179.09 1gnl h LEU 209 N 0.32 1.05 -0.47 2.25 5.85 -1.11 -0.42 115.31 122.76 1gnl h LEU 209 Ca 0.09 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1gnl h LEU 209 Cb 0.31 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1gnl h LEU 209 CO 0.00 1.02 0.25 -0.78 -0.34 0.00 0.00 178.44 178.59 1gnl h ASP 210 N 1.02 0.37 -0.71 1.25 1.82 -0.82 0.71 116.42 120.07 1gnl h ASP 210 Ca 0.21 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.81 1gnl h ASP 210 Cb 0.40 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 1gnl h ASP 210 CO 0.01 0.26 0.24 0.00 -1.61 0.00 0.00 179.24 178.14 1gnl h ALA 211 N 1.24 1.05 -0.16 -0.78 0.00 -0.96 -1.20 119.26 118.45 1gnl h ALA 211 Ca 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1gnl h ALA 211 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1gnl h ALA 211 CO -0.13 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1gnl h ALA 212 N 1.18 0.21 0.15 0.00 0.00 -0.51 0.68 119.26 120.97 1gnl h ALA 212 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1gnl h ALA 212 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1gnl h ALA 212 CO -0.01 -0.09 -0.07 -0.91 0.00 0.00 0.00 179.25 178.17 1gnl h ASN 213 N 0.03 -0.17 0.12 0.00 2.35 -0.78 -2.13 115.58 115.00 1gnl h ASN 213 Ca 0.05 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.51 1gnl h ASN 213 Cb 0.37 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1gnl h ASN 213 CO 0.01 0.05 -0.49 0.71 -1.65 0.00 0.00 177.43 176.05 1gnl h THR 214 N -0.39 1.33 -0.01 2.81 1.35 -1.28 -0.80 112.91 115.93 1gnl h THR 214 Ca -0.02 -1.72 -0.07 0.00 -0.55 0.00 0.00 66.41 64.05 1gnl h THR 214 Cb 0.31 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1gnl h THR 214 CO 0.03 0.53 -0.32 1.23 -0.25 0.00 0.00 175.52 176.73 1gnl h GLY 215 N 1.19 0.02 0.51 5.82 0.00 -0.84 -0.61 103.07 109.16 1gnl h GLY 215 Ca 0.02 -0.02 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1gnl h GLY 215 CO 0.09 0.02 -1.89 2.41 0.00 0.00 0.00 176.54 177.16 1gnl n THR 216 N -4.15 1.74 0.08 4.70 -1.04 -0.81 -4.60 114.28 110.21 1gnl n THR 216 Ca -0.02 -0.56 0.02 0.00 -2.04 0.00 0.00 64.05 61.46 1gnl n THR 216 Cb 0.37 -1.78 0.04 0.00 -1.82 0.00 0.00 70.33 67.14 1gnl n THR 216 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1gnl n TYR 217 N -3.63 0.08 0.00 -1.42 4.01 -0.32 -4.98 117.16 110.89 1gnl n TYR 217 Ca -0.32 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.20 1gnl n TYR 217 Cb 0.99 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 1gnl n TYR 217 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gnl n GLY 218 N 0.10 0.25 3.73 2.72 0.00 -0.24 -1.91 105.19 109.84 1gnl n GLY 218 Ca 0.03 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1gnl n GLY 218 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gnl s HIS 219 N -2.43 3.57 0.49 1.61 3.76 -1.25 -4.29 115.29 116.76 1gnl s HIS 219 Ca 0.00 1.55 -0.21 0.00 -0.15 0.00 0.00 55.06 56.25 1gnl s HIS 219 Cb 0.00 -3.29 -0.09 0.00 1.11 0.00 0.00 32.58 30.31 1gnl s HIS 219 CO 0.00 -0.68 0.85 -2.30 -0.85 0.00 0.00 174.74 171.76 1gnl n PRO 220 N 2.80 0.99 -4.13 8.40 -0.02 -1.26 -4.41 135.00 137.37 1gnl n PRO 220 Ca 0.04 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.80 1gnl n PRO 220 Cb 0.47 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 1gnl n PRO 220 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1gnl s GLU 221 N -2.15 0.79 0.18 -0.52 -1.05 -0.59 -4.27 118.70 111.09 1gnl s GLU 221 Ca 0.67 -1.35 -0.33 0.00 -0.15 0.00 0.00 54.97 53.82 1gnl s GLU 221 Cb -0.51 0.19 -0.15 0.00 -0.44 0.00 0.00 34.13 33.22 1gnl s GLU 221 CO 0.54 -0.18 1.36 -0.89 0.95 0.00 0.00 175.26 177.05 1gnl n ILE 222 N -0.01 0.55 -3.76 1.83 5.41 -1.24 -4.25 119.36 117.90 1gnl n ILE 222 Ca -0.09 -0.14 -0.13 0.00 1.00 0.00 0.00 62.75 63.39 1gnl n ILE 222 Cb 0.62 -1.19 -0.10 0.00 -0.71 0.00 0.00 39.64 38.26 1gnl n ILE 222 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1gnl s THR 223 N 0.21 0.01 -0.22 1.39 2.01 0.05 -4.98 115.64 114.11 1gnl s THR 223 Ca 0.75 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.60 1gnl s THR 223 Cb -0.77 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1gnl s THR 223 CO 0.47 -0.04 0.10 -0.54 -0.69 0.00 0.00 174.62 173.92 1gnl s LYS 224 N -0.04 3.90 -0.20 4.92 1.02 -1.26 -1.59 119.74 126.49 1gnl s LYS 224 Ca -0.02 -0.37 -0.03 0.00 0.02 0.00 0.00 55.97 55.57 1gnl s LYS 224 Cb -0.03 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1gnl s LYS 224 CO 0.01 0.05 -0.05 0.08 -0.92 0.00 0.00 175.35 174.52 1gnl s VAL 225 N 1.02 3.40 0.17 3.17 1.01 0.53 -4.96 120.40 124.74 1gnl s VAL 225 Ca 0.05 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 1gnl s VAL 225 Cb -0.14 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 1gnl s VAL 225 CO 0.03 0.44 1.38 0.21 0.00 0.00 0.00 175.10 177.16 1gnl s ASN 226 N 1.20 6.81 0.00 3.32 2.47 -1.26 -1.46 114.94 126.02 1gnl s ASN 226 Ca 0.02 2.43 0.15 0.00 0.42 0.00 0.00 52.86 55.89 1gnl s ASN 226 Cb -0.14 -2.60 0.11 0.00 -1.45 0.00 0.00 41.25 37.16 1gnl s ASN 226 CO -0.01 -0.62 0.97 2.30 -3.72 0.00 0.00 177.10 176.02 1gnl n ILE 227 N 3.14 0.00 -2.02 -5.21 -5.35 -0.44 -1.42 119.36 108.06 1gnl n ILE 227 Ca 0.09 -0.49 -0.14 0.00 -0.27 0.00 0.00 62.75 61.94 1gnl n ILE 227 Cb 0.42 1.31 0.08 0.00 -1.74 0.00 0.00 39.64 39.71 1gnl n ILE 227 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gnl n GLY 228 N 0.89 -0.18 3.34 3.28 0.00 -1.23 -4.54 105.19 106.76 1gnl n GLY 228 Ca 0.09 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 1gnl n GLY 228 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gnl s VAL 229 N -1.96 1.35 0.07 1.61 -7.23 -1.26 -4.61 120.40 108.38 1gnl s VAL 229 Ca 0.37 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1gnl s VAL 229 Cb -0.02 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.74 1gnl s VAL 229 CO 0.25 -0.47 0.10 0.61 -0.31 0.00 0.00 175.10 175.28 1gnl n GLY 230 N -0.40 1.42 0.70 2.32 0.00 -1.26 -5.04 105.19 102.93 1gnl n GLY 230 Ca -0.07 -2.06 0.07 0.00 0.00 0.00 0.00 46.02 43.96 1gnl n GLY 230 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gnl n SER 231 N -2.96 2.77 -4.93 1.61 3.41 -1.26 -4.53 113.62 107.74 1gnl n SER 231 Ca 0.02 -1.84 -0.26 0.00 -0.26 0.00 0.00 58.87 56.53 1gnl n SER 231 Cb 0.06 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 1gnl n SER 231 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1gnl s ASN 232 N -1.05 6.34 0.56 4.04 -0.87 -1.26 -4.73 114.94 117.97 1gnl s ASN 232 Ca 0.24 0.59 -0.21 0.00 -1.57 0.00 0.00 52.86 51.91 1gnl s ASN 232 Cb 0.14 -2.09 -0.05 0.00 -0.02 0.00 0.00 41.25 39.22 1gnl s ASN 232 CO 0.19 -0.28 1.19 -0.81 -2.57 0.00 0.00 177.10 174.81 1gnl n PRO 233 N -1.52 1.35 -4.20 -0.60 -0.04 -1.26 -4.38 135.00 124.36 1gnl n PRO 233 Ca -0.03 0.51 -0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1gnl n PRO 233 Cb 0.55 -2.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.53 1gnl n PRO 233 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1gnl s GLY 234 N -1.04 1.10 -0.08 0.55 0.00 -1.26 -1.25 107.32 105.35 1gnl s GLY 234 Ca 0.73 -1.53 0.04 0.00 0.00 0.00 0.00 44.72 43.96 1gnl s GLY 234 CO 0.49 -1.46 -0.22 -0.42 0.00 0.00 0.00 173.10 171.49 1gnl s ILE 235 N -3.82 2.31 -0.30 0.90 1.01 -0.21 -3.69 121.20 117.40 1gnl s ILE 235 Ca 0.23 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 1gnl s ILE 235 Cb 0.07 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1gnl s ILE 235 CO 0.03 0.56 0.18 -0.22 0.00 0.00 0.00 174.94 175.49 1gnl s LEU 236 N -0.03 4.10 -0.16 2.97 2.96 -0.25 -1.00 118.68 127.27 1gnl s LEU 236 Ca -0.07 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 1gnl s LEU 236 Cb -0.15 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1gnl s LEU 236 CO 0.05 -0.12 0.06 -0.51 -1.32 0.00 0.00 176.35 174.50 1gnl s ILE 237 N 1.71 4.75 0.34 6.68 2.07 0.16 -0.43 121.20 136.48 1gnl s ILE 237 Ca 0.06 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.29 1gnl s ILE 237 Cb -0.16 -3.11 -0.06 0.00 0.13 0.00 0.00 42.46 39.25 1gnl s ILE 237 CO 0.09 0.50 0.06 -0.55 -1.91 0.00 0.00 174.94 173.13 1gnl s SER 238 N 0.06 2.60 0.00 4.50 0.15 0.07 -1.07 113.70 120.00 1gnl s SER 238 Ca 0.05 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.30 1gnl s SER 238 Cb -0.12 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1gnl s SER 238 CO 0.01 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1gnl n GLY 239 N -0.75 0.57 0.00 9.45 0.00 -1.26 -1.66 105.19 111.54 1gnl n GLY 239 Ca -0.03 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1gnl n GLY 239 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gnl n HIS 240 N 3.59 0.00 -2.60 1.61 8.25 -1.26 -2.02 115.22 122.78 1gnl n HIS 240 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1gnl n HIS 240 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1gnl n HIS 240 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1gnl s ASP 241 N -0.46 6.69 0.30 0.41 2.15 -1.26 -4.90 116.67 119.59 1gnl s ASP 241 Ca 0.00 0.60 0.13 0.00 0.43 0.00 0.00 52.55 53.70 1gnl s ASP 241 Cb 0.00 -2.55 0.44 0.00 -0.30 0.00 0.00 42.92 40.51 1gnl s ASP 241 CO 0.00 -1.18 1.64 -0.07 -0.17 0.00 0.00 175.17 175.39 1gnl h LEU 242 N 11.01 0.00 -0.63 -1.34 3.38 -1.97 -3.12 115.31 122.64 1gnl h LEU 242 Ca -0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1gnl h LEU 242 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1gnl h LEU 242 CO 1.11 0.56 0.11 -0.09 0.09 0.00 0.00 178.44 180.21 1gnl h ARG 243 N 0.00 1.05 -0.84 1.13 9.65 -1.96 -1.34 114.38 122.07 1gnl h ARG 243 Ca -0.01 -0.28 0.03 0.00 -1.10 0.00 0.00 59.98 58.63 1gnl h ARG 243 Cb 1.05 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.45 1gnl h ARG 243 CO 0.07 0.97 0.54 -0.44 2.80 0.00 0.00 179.97 183.91 1gnl h ASP 244 N 0.96 0.90 -0.35 -3.80 3.32 -1.95 -2.00 116.42 113.48 1gnl h ASP 244 Ca 0.19 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1gnl h ASP 244 Cb 0.42 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1gnl h ASP 244 CO 0.01 0.62 0.21 0.25 -1.72 0.00 0.00 179.24 178.61 1gnl h LEU 245 N 1.05 0.43 -0.37 1.55 5.85 -1.41 -0.59 115.31 121.82 1gnl h LEU 245 Ca 0.33 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.05 1gnl h LEU 245 Cb -0.00 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1gnl h LEU 245 CO -0.11 0.37 0.00 -0.08 -0.34 0.00 0.00 178.44 178.29 1gnl h GLU 246 N 0.46 0.10 -0.65 1.25 4.81 -0.81 0.11 114.58 119.84 1gnl h GLU 246 Ca 0.13 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1gnl h GLU 246 Cb 0.03 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1gnl h GLU 246 CO -0.02 0.07 0.27 0.52 -0.73 0.00 0.00 179.01 179.11 1gnl h MET 247 N 0.10 0.97 -0.47 1.92 2.86 -1.16 -1.62 114.93 117.54 1gnl h MET 247 Ca 0.18 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1gnl h MET 247 Cb 0.25 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1gnl h MET 247 CO -0.30 0.81 0.15 1.25 1.06 0.00 0.00 176.91 179.88 1gnl h LEU 248 N 0.92 0.69 -0.54 1.22 5.85 -0.57 -1.59 115.31 121.29 1gnl h LEU 248 Ca 0.22 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1gnl h LEU 248 Cb 0.20 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1gnl h LEU 248 CO -0.02 0.71 0.27 -0.07 -0.34 0.00 0.00 178.44 178.99 1gnl h LEU 249 N 0.62 0.70 -0.60 2.25 3.38 -0.64 -0.73 115.31 120.29 1gnl h LEU 249 Ca 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1gnl h LEU 249 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1gnl h LEU 249 CO -0.00 0.62 0.34 0.11 0.09 0.00 0.00 178.44 179.60 1gnl h LYS 250 N 0.73 0.83 0.00 1.13 1.57 -1.16 -2.51 116.57 117.14 1gnl h LYS 250 Ca 0.19 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1gnl h LYS 250 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1gnl h LYS 250 CO -0.03 0.62 -0.30 1.96 -0.57 0.00 0.00 179.45 181.13 1gnl h GLN 251 N 0.81 0.00 0.00 3.15 4.20 -1.08 -3.03 115.11 119.16 1gnl h GLN 251 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1gnl h GLN 251 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1gnl h GLN 251 CO -0.04 0.30 -0.29 0.25 -0.67 0.00 0.00 178.83 178.38 1gnl n THR 252 N -3.34 0.04 -1.68 -0.54 -2.24 -0.30 -4.81 114.28 101.41 1gnl n THR 252 Ca 0.01 -0.02 -0.46 0.00 -2.27 0.00 0.00 64.05 61.31 1gnl n THR 252 Cb 0.53 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 1gnl n THR 252 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1gnl n GLU 253 N -1.56 2.28 -0.99 -0.78 4.07 -0.97 -1.76 120.64 120.94 1gnl n GLU 253 Ca 0.06 0.83 0.00 0.00 -0.06 0.00 0.00 57.16 57.99 1gnl n GLU 253 Cb 0.35 -2.64 0.00 0.00 -0.06 0.00 0.00 31.44 29.09 1gnl n GLU 253 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1gnl n GLY 254 N 3.83 0.88 0.07 8.31 0.00 -1.26 -4.91 105.19 112.11 1gnl n GLY 254 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1gnl n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gnl n THR 255 N -2.24 0.35 -0.72 2.61 -2.24 -0.72 -4.96 114.28 106.36 1gnl n THR 255 Ca 0.00 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1gnl n THR 255 Cb 0.00 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1gnl n THR 255 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gnl n GLY 256 N 1.27 0.78 3.57 3.38 0.00 -1.26 -5.04 105.19 107.90 1gnl n GLY 256 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1gnl n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gnl s VAL 257 N -2.92 4.68 0.44 1.61 1.01 -1.26 -4.32 120.40 119.63 1gnl s VAL 257 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1gnl s VAL 257 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1gnl s VAL 257 CO 0.00 0.41 0.77 -1.81 0.00 0.00 0.00 175.10 174.47 1gnl s ASP 258 N 0.85 6.37 -0.10 3.32 1.01 -0.38 -4.85 116.67 122.89 1gnl s ASP 258 Ca 0.04 1.00 0.04 0.00 0.71 0.00 0.00 52.55 54.34 1gnl s ASP 258 Cb -0.14 -2.27 -0.00 0.00 1.01 0.00 0.00 42.92 41.52 1gnl s ASP 258 CO 0.02 -0.49 -0.23 -0.69 0.21 0.00 0.00 175.17 173.99 1gnl s VAL 259 N -2.57 2.12 0.17 -1.27 1.01 -0.46 -1.04 120.40 118.36 1gnl s VAL 259 Ca 0.49 -1.00 0.11 0.00 0.00 0.00 0.00 61.98 61.58 1gnl s VAL 259 Cb -0.10 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1gnl s VAL 259 CO 0.39 0.56 -0.24 -0.31 0.00 0.00 0.00 175.10 175.49 1gnl s TYR 260 N 0.32 2.33 0.26 5.22 1.51 -0.17 -0.37 117.35 126.45 1gnl s TYR 260 Ca -0.18 -0.36 0.07 0.00 -1.01 0.00 0.00 57.07 55.59 1gnl s TYR 260 Cb -0.18 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1gnl s TYR 260 CO 0.09 0.44 0.27 0.95 -1.11 0.00 0.00 175.55 176.18 1gnl s THR 261 N -1.45 4.54 -0.02 -0.71 -4.23 -0.53 -0.66 115.64 112.58 1gnl s THR 261 Ca 0.19 -1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1gnl s THR 261 Cb -0.09 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1gnl s THR 261 CO 0.09 -0.31 0.06 -2.28 -0.54 0.00 0.00 174.62 171.63 1gnl s HIS 262 N -2.12 -0.05 0.00 3.99 2.46 -0.24 -0.56 115.29 118.78 1gnl s HIS 262 Ca 0.35 0.12 0.00 0.00 0.47 0.00 0.00 55.06 56.00 1gnl s HIS 262 Cb -0.08 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.38 1gnl s HIS 262 CO 0.27 -0.04 0.00 0.45 -2.47 0.00 0.00 174.74 172.94 1gnl n SER 263 N 2.96 0.00 -0.24 9.88 2.88 -1.22 -1.29 113.62 126.59 1gnl n SER 263 Ca -0.13 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.50 1gnl n SER 263 Cb 0.59 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.46 1gnl n SER 263 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1gnl n GLU 264 N 0.00 1.31 0.00 -1.46 -0.58 -1.24 -2.99 120.64 115.68 1gnl n GLU 264 Ca 0.00 -0.47 0.12 0.00 -0.42 0.00 0.00 57.16 56.39 1gnl n GLU 264 Cb 0.00 -1.29 0.20 0.00 -0.57 0.00 0.00 31.44 29.78 1gnl n GLU 264 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1gnl n MET 265 N -0.28 0.21 -0.27 3.49 2.81 -0.41 -4.33 117.12 118.33 1gnl n MET 265 Ca 0.13 -0.13 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 1gnl n MET 265 Cb 0.16 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.31 1gnl n MET 265 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1gnl h LEU 266 N 0.33 -0.53 -1.57 4.03 5.85 -1.71 -1.26 115.31 120.44 1gnl h LEU 266 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1gnl h LEU 266 Cb 0.51 0.42 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1gnl h LEU 266 CO 0.00 -0.23 0.00 -0.65 -0.34 0.00 0.00 178.44 177.22 1gnl h PRO 267 N 0.05 0.00 -0.73 5.25 0.11 -1.85 -1.98 132.00 132.85 1gnl h PRO 267 Ca 0.40 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.66 1gnl h PRO 267 Cb 0.68 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.75 1gnl h PRO 267 CO -0.74 0.00 0.49 0.00 -0.21 0.00 0.00 178.00 177.53 1gnl h ALA 268 N 2.05 2.13 -0.02 -0.75 0.00 -1.53 -0.57 119.26 120.56 1gnl h ALA 268 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gnl h ALA 268 Cb 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1gnl h ALA 268 CO 0.00 -0.33 0.03 0.45 0.00 0.00 0.00 179.25 179.41 1gnl h HIS 269 N 0.39 0.00 0.00 0.00 3.86 -1.54 -2.64 115.15 115.21 1gnl h HIS 269 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1gnl h HIS 269 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1gnl h HIS 269 CO -0.00 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.45 1gnl n TYR 270 N -3.64 0.86 -3.12 2.45 4.01 -0.22 -4.77 117.16 112.73 1gnl n TYR 270 Ca -0.02 0.25 -0.39 0.00 -0.16 0.00 0.00 57.90 57.57 1gnl n TYR 270 Cb 0.12 -0.91 -0.05 0.00 -0.31 0.00 0.00 39.34 38.19 1gnl n TYR 270 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1gnl s TYR 271 N -3.09 3.56 0.41 -0.72 1.51 -1.00 -1.54 117.35 116.48 1gnl s TYR 271 Ca 0.11 1.15 0.12 0.00 -1.01 0.00 0.00 57.07 57.44 1gnl s TYR 271 Cb 0.13 -2.74 0.96 0.00 -0.11 0.00 0.00 41.96 40.20 1gnl s TYR 271 CO 0.59 0.10 1.96 -1.35 -1.11 0.00 0.00 175.55 175.75 1gnl h PRO 272 N 6.76 0.49 -0.65 -1.71 0.11 -1.76 -2.21 132.00 133.03 1gnl h PRO 272 Ca -0.41 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1gnl h PRO 272 Cb 1.19 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1gnl h PRO 272 CO 0.75 0.32 0.25 0.00 -0.21 0.00 0.00 178.00 179.11 1gnl h ALA 273 N 1.67 1.22 0.00 -0.75 0.00 -1.75 -2.52 119.26 117.12 1gnl h ALA 273 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gnl h ALA 273 Cb 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1gnl h ALA 273 CO -0.09 0.57 0.00 0.74 0.00 0.00 0.00 179.25 180.46 1gnl h PHE 274 N 0.94 0.00 0.00 0.00 0.04 -1.65 -2.97 116.94 113.29 1gnl h PHE 274 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1gnl h PHE 274 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1gnl h PHE 274 CO 0.01 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.35 1gnl n LYS 275 N -3.05 0.05 -0.06 1.51 5.02 -0.95 -2.93 118.16 117.75 1gnl n LYS 275 Ca 0.02 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 56.72 1gnl n LYS 275 Cb 0.42 -1.59 0.41 0.00 -0.02 0.00 0.00 35.03 34.24 1gnl n LYS 275 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1gnl n LYS 276 N -1.69 1.55 -3.68 1.97 5.02 -1.12 -4.70 118.16 115.51 1gnl n LYS 276 Ca 0.03 -0.83 -0.39 0.00 -2.02 0.00 0.00 58.31 55.10 1gnl n LYS 276 Cb 0.17 -1.36 -0.12 0.00 -0.02 0.00 0.00 35.03 33.70 1gnl n LYS 276 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1gnl s TYR 277 N -1.84 3.21 0.37 2.13 2.02 -1.15 -4.98 117.35 117.11 1gnl s TYR 277 Ca 0.31 -0.98 0.24 0.00 -0.37 0.00 0.00 57.07 56.27 1gnl s TYR 277 Cb 0.16 -2.34 1.24 0.00 -0.40 0.00 0.00 41.96 40.62 1gnl s TYR 277 CO 0.25 -0.61 2.00 0.00 -1.57 0.00 0.00 175.55 175.62 1gnl h ALA 278 N 8.32 1.28 -0.24 3.71 0.00 -1.90 -2.28 119.26 128.16 1gnl h ALA 278 Ca -0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gnl h ALA 278 Cb 1.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1gnl h ALA 278 CO 0.63 0.22 0.00 -2.39 0.00 0.00 0.00 179.25 177.71 1gnl n HIS 279 N -3.71 0.31 -2.79 0.00 1.44 -1.26 -4.71 115.22 104.51 1gnl n HIS 279 Ca -0.02 -0.16 -0.43 0.00 -2.01 0.00 0.00 57.72 55.11 1gnl n HIS 279 Cb 0.29 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.36 1gnl n HIS 279 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1gnl s PHE 280 N -1.69 2.70 0.00 -1.40 5.36 -0.86 -1.36 117.98 120.74 1gnl s PHE 280 Ca 0.27 -0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.17 1gnl s PHE 280 Cb 0.14 -4.22 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 1gnl s PHE 280 CO 0.20 -1.50 0.00 1.63 -1.46 0.00 0.00 175.22 174.09 1gnl n LYS 281 N 7.80 1.94 0.00 10.12 4.76 0.50 -4.96 118.16 138.32 1gnl n LYS 281 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1gnl n LYS 281 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1gnl n LYS 281 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gnl n GLY 282 N 5.00 2.81 3.45 0.72 0.00 -1.26 -4.84 105.19 111.07 1gnl n GLY 282 Ca 0.00 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 1gnl n GLY 282 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gnl s ASN 283 N -0.69 4.68 -0.22 1.61 2.47 -0.50 -1.46 114.94 120.83 1gnl s ASN 283 Ca 0.00 -0.21 -0.06 0.00 0.42 0.00 0.00 52.86 53.01 1gnl s ASN 283 Cb 0.00 -1.78 -0.03 0.00 -1.45 0.00 0.00 41.25 38.00 1gnl s ASN 283 CO 0.00 0.11 0.03 -0.47 -3.72 0.00 0.00 177.10 173.05 1gnl s TYR 284 N 0.73 3.07 0.00 0.43 5.04 0.28 -4.32 117.35 122.58 1gnl s TYR 284 Ca -0.02 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.20 1gnl s TYR 284 Cb -0.14 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.02 1gnl s TYR 284 CO 0.02 -0.26 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 1gnl n GLY 285 N 4.46 -0.28 0.00 8.97 0.00 -1.26 -4.57 105.19 112.51 1gnl n GLY 285 Ca -0.17 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1gnl n GLY 285 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gnl n ASN 286 N 1.17 0.00 -4.83 1.61 4.13 -1.26 -4.89 115.26 111.19 1gnl n ASN 286 Ca 0.00 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.96 1gnl n ASN 286 Cb 0.00 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.33 1gnl n ASN 286 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gnl s ALA 287 N -2.00 2.33 0.35 5.41 0.00 -1.26 -3.44 121.76 123.15 1gnl s ALA 287 Ca 0.00 -0.34 0.15 0.00 0.00 0.00 0.00 51.96 51.77 1gnl s ALA 287 Cb 0.00 -3.06 1.07 0.00 0.00 0.00 0.00 23.12 21.13 1gnl s ALA 287 CO 0.00 -1.71 1.69 0.11 0.00 0.00 0.00 175.76 175.85 1gnl h TRP 288 N -1.07 0.90 0.00 0.00 5.08 -1.93 -2.44 115.95 116.47 1gnl h TRP 288 Ca -0.47 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.53 1gnl h TRP 288 Cb 1.28 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 1gnl h TRP 288 CO 0.42 -0.10 0.00 -2.67 -1.28 0.00 0.00 178.44 174.82 1gnl n TRP 289 N -4.94 0.68 0.67 0.12 4.27 -1.26 -1.70 117.44 115.28 1gnl n TRP 289 Ca 0.30 0.25 0.06 0.00 -3.89 0.00 0.00 57.50 54.22 1gnl n TRP 289 Cb 0.95 -0.91 0.17 0.00 -1.36 0.00 0.00 31.31 30.17 1gnl n TRP 289 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1gnl n LYS 290 N -2.10 2.06 0.23 -2.67 5.02 -0.92 -4.56 118.16 115.22 1gnl n LYS 290 Ca 0.03 -1.40 0.11 0.00 -2.02 0.00 0.00 58.31 55.04 1gnl n LYS 290 Cb 0.26 -1.40 0.48 0.00 -0.02 0.00 0.00 35.03 34.35 1gnl n LYS 290 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1gnl h GLN 291 N 2.17 0.00 -0.17 1.97 3.07 -1.52 -1.38 115.11 119.25 1gnl h GLN 291 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 1gnl h GLN 291 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.18 1gnl h GLN 291 CO 0.04 0.18 -0.07 0.87 0.09 0.00 0.00 178.83 179.94 1gnl h LYS 292 N 0.00 0.26 0.03 0.06 1.57 -1.84 0.20 116.57 116.84 1gnl h LYS 292 Ca -0.00 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1gnl h LYS 292 Cb 0.73 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1gnl h LYS 292 CO 0.02 0.35 -0.50 0.93 -0.57 0.00 0.00 179.45 179.68 1gnl h GLU 293 N 0.26 0.06 0.01 3.15 3.07 -1.78 -3.33 114.58 116.02 1gnl h GLU 293 Ca 0.06 -0.11 -0.22 0.00 -0.50 0.00 0.00 59.36 58.59 1gnl h GLU 293 Cb 0.29 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1gnl h GLU 293 CO 0.01 1.05 -0.94 0.93 -1.40 0.00 0.00 179.01 178.66 1gnl h GLU 294 N -0.85 0.33 -0.34 2.33 5.08 -1.13 -1.91 114.58 118.09 1gnl h GLU 294 Ca -0.12 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 1gnl h GLU 294 Cb 1.22 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1gnl h GLU 294 CO -0.02 1.06 -0.13 0.74 -1.00 0.00 0.00 179.01 179.66 1gnl h PHE 295 N 0.18 0.64 0.37 4.33 0.04 -0.84 -1.35 116.94 120.31 1gnl h PHE 295 Ca -0.07 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 1gnl h PHE 295 Cb 1.58 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.56 1gnl h PHE 295 CO 0.05 0.70 -0.18 1.49 -0.60 0.00 0.00 178.31 179.77 1gnl h GLU 296 N 0.54 -0.48 0.00 1.51 4.81 -1.59 -3.10 114.58 116.27 1gnl h GLU 296 Ca 0.10 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1gnl h GLU 296 Cb 0.55 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1gnl h GLU 296 CO 0.03 -0.28 0.00 0.66 -0.73 0.00 0.00 179.01 178.69 1gnl h SER 297 N -0.56 0.00 0.16 1.04 4.64 -1.25 -2.47 113.55 115.11 1gnl h SER 297 Ca -0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1gnl h SER 297 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1gnl h SER 297 CO 0.08 0.00 -0.16 0.15 -0.87 0.00 0.00 176.83 176.03 1gnl h PHE 298 N 0.00 0.02 0.00 4.77 3.57 -1.16 -1.48 116.94 122.66 1gnl h PHE 298 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1gnl h PHE 298 Cb 0.44 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1gnl h PHE 298 CO 0.00 0.18 0.00 0.09 -2.23 0.00 0.00 178.31 176.35 1gnl n ASN 299 N -4.33 0.00 -4.47 0.41 5.03 -0.93 -3.55 115.26 107.42 1gnl n ASN 299 Ca -0.02 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.16 1gnl n ASN 299 Cb 0.24 0.00 0.14 0.00 -1.02 0.00 0.00 39.78 39.13 1gnl n ASN 299 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1gnl s GLY 300 N 0.00 1.76 0.69 7.41 0.00 -1.26 -4.57 107.32 111.35 1gnl s GLY 300 Ca 0.00 -1.41 -0.16 0.00 0.00 0.00 0.00 44.72 43.15 1gnl s GLY 300 CO 0.00 -0.77 1.17 -4.14 0.00 0.00 0.00 173.10 169.36 1gnl s PRO 301 N -5.48 2.47 -0.07 2.90 0.02 -1.24 -4.81 135.00 128.78 1gnl s PRO 301 Ca 0.69 1.65 0.03 0.00 0.02 0.00 0.00 61.00 63.39 1gnl s PRO 301 Cb -0.05 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.59 1gnl s PRO 301 CO 0.48 -1.55 -0.17 0.08 -0.33 0.00 0.00 177.00 175.51 1gnl s VAL 302 N -2.04 1.46 -0.22 3.83 1.01 -0.30 -1.09 120.40 123.03 1gnl s VAL 302 Ca 0.72 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1gnl s VAL 302 Cb -0.26 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1gnl s VAL 302 CO 0.42 0.42 -0.05 -0.22 0.00 0.00 0.00 175.10 175.68 1gnl s LEU 303 N 0.45 2.88 -0.40 3.92 2.96 0.43 -0.43 118.68 128.49 1gnl s LEU 303 Ca -0.14 -0.43 -0.16 0.00 -0.22 0.00 0.00 54.13 53.18 1gnl s LEU 303 Cb -0.16 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1gnl s LEU 303 CO 0.05 -0.03 0.37 -0.76 -1.32 0.00 0.00 176.35 174.66 1gnl s LEU 304 N 1.46 4.84 0.19 -0.68 2.01 0.11 -0.75 118.68 125.86 1gnl s LEU 304 Ca 0.05 -0.65 0.15 0.00 0.01 0.00 0.00 54.13 53.70 1gnl s LEU 304 Cb -0.14 -2.29 -0.03 0.00 0.01 0.00 0.00 46.19 43.73 1gnl s LEU 304 CO -0.04 -0.48 1.19 0.71 1.01 0.00 0.00 176.35 178.75 1gnl h THR 305 N 5.65 0.76 -2.47 5.49 1.35 -1.61 -2.52 112.91 119.56 1gnl h THR 305 Ca -0.27 -2.18 -0.05 0.00 -0.55 0.00 0.00 66.41 63.35 1gnl h THR 305 Cb 1.12 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 69.81 1gnl h THR 305 CO 0.75 0.43 0.00 0.35 -0.25 0.00 0.00 175.52 176.80 1gnl n THR 306 N -3.09 0.00 -0.79 6.82 -2.24 -1.26 -4.59 114.28 109.13 1gnl n THR 306 Ca -0.03 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.02 1gnl n THR 306 Cb 0.78 0.30 0.16 0.00 -2.10 0.00 0.00 70.33 69.47 1gnl n THR 306 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1gnl s ASN 307 N -1.60 3.11 -0.24 3.42 4.22 -1.26 -4.46 114.94 118.13 1gnl s ASN 307 Ca 0.07 2.18 -0.09 0.00 -2.14 0.00 0.00 52.86 52.88 1gnl s ASN 307 Cb -0.01 -2.57 -0.04 0.00 1.28 0.00 0.00 41.25 39.91 1gnl s ASN 307 CO 0.05 -2.98 0.13 0.00 -2.04 0.00 0.00 177.10 172.26 1gnl s LEU 309 N 1.26 3.59 0.09 0.00 2.96 -0.10 -4.93 118.68 121.55 1gnl s LEU 309 Ca 0.06 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1gnl s LEU 309 Cb -0.14 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1gnl s LEU 309 CO 0.05 0.08 0.33 0.68 -1.32 0.00 0.00 176.35 176.18 1gnl s VAL 310 N 0.90 5.21 -0.18 1.68 -7.23 -1.26 -4.64 120.40 114.88 1gnl s VAL 310 Ca 0.03 0.09 -0.38 0.00 -1.81 0.00 0.00 61.98 59.91 1gnl s VAL 310 Cb -0.14 -3.61 -0.15 0.00 0.56 0.00 0.00 36.38 33.04 1gnl s VAL 310 CO 0.03 0.17 1.72 -2.65 -0.31 0.00 0.00 175.10 174.06 1gnl n PRO 311 N 0.51 1.39 -2.57 4.82 -0.02 -1.26 -4.85 135.00 133.01 1gnl n PRO 311 Ca -0.06 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 1gnl n PRO 311 Cb 0.52 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 1gnl n PRO 311 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1gnl s PRO 312 N 3.19 3.99 0.49 0.52 0.04 -1.26 -5.03 135.00 136.94 1gnl s PRO 312 Ca 0.95 1.12 -0.22 0.00 0.04 0.00 0.00 61.00 62.89 1gnl s PRO 312 Cb -0.97 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.36 1gnl s PRO 312 CO 0.60 -0.24 1.15 0.15 0.04 0.00 0.00 177.00 178.69 1gnl s LYS 313 N -3.54 3.63 0.56 4.56 1.02 -1.26 -4.85 119.74 119.86 1gnl s LYS 313 Ca 0.62 1.71 0.25 0.00 0.02 0.00 0.00 55.97 58.57 1gnl s LYS 313 Cb -0.11 -2.27 1.58 0.00 -0.52 0.00 0.00 37.83 36.51 1gnl s LYS 313 CO 0.22 -0.65 2.16 -0.44 -0.92 0.00 0.00 175.35 175.72 1gnl h ASP 314 N 1.76 0.00 -0.49 2.83 3.32 -1.99 -0.85 116.42 121.00 1gnl h ASP 314 Ca -0.50 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.59 1gnl h ASP 314 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1gnl h ASP 314 CO 0.59 0.00 0.33 0.77 -1.72 0.00 0.00 179.24 179.21 1gnl h SER 315 N 0.00 0.45 0.00 6.45 4.64 -2.01 -3.23 113.55 119.85 1gnl h SER 315 Ca 0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1gnl h SER 315 Cb 0.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1gnl h SER 315 CO -0.00 0.30 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 1gnl n TYR 316 N -4.47 0.00 -0.26 4.77 0.18 -0.95 -4.83 117.16 111.60 1gnl n TYR 316 Ca 0.06 -0.08 0.10 0.00 1.88 0.00 0.00 57.90 59.86 1gnl n TYR 316 Cb 0.17 -0.01 0.36 0.00 -0.38 0.00 0.00 39.34 39.49 1gnl n TYR 316 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1gnl h LYS 317 N 0.00 0.71 0.00 -3.48 3.64 -1.18 -0.47 116.57 115.79 1gnl h LYS 317 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1gnl h LYS 317 Cb 0.26 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1gnl h LYS 317 CO 0.00 0.47 0.00 -3.47 -2.27 0.00 0.00 179.45 174.18 1gnl n ASP 318 N -4.54 0.44 -0.57 4.20 2.03 -1.26 -2.36 116.55 114.49 1gnl n ASP 318 Ca 0.16 0.62 0.07 0.00 0.52 0.00 0.00 54.79 56.16 1gnl n ASP 318 Cb 0.41 -0.71 0.18 0.00 -0.72 0.00 0.00 41.12 40.29 1gnl n ASP 318 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1gnl n ARG 319 N -2.00 2.57 -3.30 -0.67 1.85 -0.19 -4.95 116.66 109.97 1gnl n ARG 319 Ca 0.02 -2.48 -0.38 0.00 -1.00 0.00 0.00 57.85 54.01 1gnl n ARG 319 Cb 0.19 -1.56 -0.06 0.00 -1.05 0.00 0.00 32.46 29.98 1gnl n ARG 319 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1gnl s VAL 320 N -2.27 5.17 -0.10 8.89 1.01 -0.99 -1.15 120.40 130.95 1gnl s VAL 320 Ca 0.32 0.93 0.04 0.00 0.00 0.00 0.00 61.98 63.27 1gnl s VAL 320 Cb 0.25 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 1gnl s VAL 320 CO 0.08 0.28 -0.23 -0.31 0.00 0.00 0.00 175.10 174.92 1gnl s TYR 321 N 0.96 2.58 0.25 5.22 1.51 0.43 -3.56 117.35 124.75 1gnl s TYR 321 Ca 0.25 -0.97 0.06 0.00 -1.01 0.00 0.00 57.07 55.40 1gnl s TYR 321 Cb -0.15 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1gnl s TYR 321 CO 0.10 -0.38 0.28 0.95 -1.11 0.00 0.00 175.55 175.39 1gnl s THR 322 N 0.30 4.71 0.32 -0.71 -4.23 -0.02 -0.71 115.64 115.29 1gnl s THR 322 Ca -0.17 -1.22 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1gnl s THR 322 Cb -0.17 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 70.10 1gnl s THR 322 CO 0.08 -0.33 0.57 0.28 -0.54 0.00 0.00 174.62 174.69 1gnl s THR 323 N -2.08 0.00 0.00 3.99 -1.32 -0.95 -0.29 115.64 114.99 1gnl s THR 323 Ca 0.34 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 1gnl s THR 323 Cb -0.08 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 1gnl s THR 323 CO 0.27 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 1gnl n GLY 324 N -0.49 3.38 1.05 6.08 0.00 -0.88 -1.76 105.19 112.57 1gnl n GLY 324 Ca -0.03 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1gnl n GLY 324 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1gnl n ILE 325 N 0.00 0.69 -2.65 -0.61 -6.64 -1.26 -4.71 119.36 104.18 1gnl n ILE 325 Ca 0.00 -0.74 -0.37 0.00 -1.77 0.00 0.00 62.75 59.87 1gnl n ILE 325 Cb 0.00 0.48 -0.05 0.00 -1.44 0.00 0.00 39.64 38.63 1gnl n ILE 325 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 1gnl s VAL 326 N -1.31 3.91 -0.09 7.28 1.01 -0.72 -4.48 120.40 126.00 1gnl s VAL 326 Ca 0.39 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 1gnl s VAL 326 Cb 0.20 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.77 1gnl s VAL 326 CO 0.27 0.13 0.72 -0.83 0.00 0.00 0.00 175.10 175.40 1gnl s GLY 327 N -1.48 -0.54 -0.19 4.51 0.00 -0.82 -4.29 107.32 104.52 1gnl s GLY 327 Ca 0.52 1.49 -0.10 0.00 0.00 0.00 0.00 44.72 46.63 1gnl s GLY 327 CO 0.28 1.07 0.44 -0.12 0.00 0.00 0.00 173.10 174.77 1gnl s PHE 328 N -0.97 -0.68 0.10 1.90 2.19 -1.26 -1.09 117.98 118.16 1gnl s PHE 328 Ca -0.09 1.41 -0.32 0.00 0.33 0.00 0.00 56.93 58.26 1gnl s PHE 328 Cb -0.01 0.31 -0.12 0.00 -1.31 0.00 0.00 43.02 41.90 1gnl s PHE 328 CO 0.08 -0.38 1.79 2.41 1.83 0.00 0.00 175.22 180.95 1gnl n THR 329 N 4.42 0.32 -0.13 0.12 -1.04 -1.26 -1.22 114.28 115.49 1gnl n THR 329 Ca -0.21 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1gnl n THR 329 Cb 0.55 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1gnl n THR 329 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gnl n GLY 330 N 4.10 0.75 3.68 3.41 0.00 -1.26 -5.05 105.19 110.82 1gnl n GLY 330 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1gnl n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl n LYS 332 N 3.31 1.97 -4.99 0.00 5.02 -1.23 -4.72 118.16 117.51 1gnl n LYS 332 Ca -0.17 0.70 -0.28 0.00 -2.02 0.00 0.00 58.31 56.54 1gnl n LYS 332 Cb 0.52 -2.32 -0.16 0.00 -0.02 0.00 0.00 35.03 33.05 1gnl n LYS 332 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1gnl s HIS 333 N -1.15 1.94 -0.37 2.13 2.46 -1.26 -0.84 115.29 118.20 1gnl s HIS 333 Ca 0.58 -0.52 -0.12 0.00 0.47 0.00 0.00 55.06 55.47 1gnl s HIS 333 Cb -0.54 -1.29 0.02 0.00 -0.13 0.00 0.00 32.58 30.64 1gnl s HIS 333 CO 0.60 -0.15 0.22 0.42 -2.47 0.00 0.00 174.74 173.36 1gnl s ILE 334 N -0.13 4.77 0.47 0.89 1.01 0.60 -4.94 121.20 123.87 1gnl s ILE 334 Ca -0.01 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1gnl s ILE 334 Cb -0.11 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.66 1gnl s ILE 334 CO 0.02 -0.20 1.21 -2.16 0.00 0.00 0.00 174.94 173.81 1gnl s PRO 335 N 1.60 3.69 0.00 2.79 0.04 -1.26 -3.97 135.00 137.88 1gnl s PRO 335 Ca 0.03 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1gnl s PRO 335 Cb -0.19 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1gnl s PRO 335 CO 0.08 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1gnl n GLY 336 N 0.54 3.98 0.07 0.56 0.00 -1.26 -4.84 105.19 104.23 1gnl n GLY 336 Ca 0.07 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.37 1gnl n GLY 336 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1gnl n GLU 337 N 0.00 1.34 -0.11 1.61 0.28 -1.26 -2.06 120.64 120.43 1gnl n GLU 337 Ca 0.00 -1.23 0.09 0.00 -0.16 0.00 0.00 57.16 55.86 1gnl n GLU 337 Cb 0.00 -0.83 0.12 0.00 1.43 0.00 0.00 31.44 32.16 1gnl n GLU 337 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1gnl n ILE 338 N -0.39 1.65 -1.07 3.84 -5.35 -1.26 -4.80 119.36 111.98 1gnl n ILE 338 Ca 0.02 -1.97 -0.03 0.00 -0.27 0.00 0.00 62.75 60.50 1gnl n ILE 338 Cb 0.45 -0.13 -0.01 0.00 -1.74 0.00 0.00 39.64 38.20 1gnl n ILE 338 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gnl n GLY 339 N -1.25 0.57 3.74 3.28 0.00 -1.26 -4.59 105.19 105.68 1gnl n GLY 339 Ca 0.14 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1gnl n GLY 339 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gnl s GLU 340 N -1.41 1.07 0.16 1.61 1.03 -1.26 -4.93 118.70 114.97 1gnl s GLU 340 Ca 0.00 0.51 -0.34 0.00 0.03 0.00 0.00 54.97 55.17 1gnl s GLU 340 Cb 0.00 -1.81 -0.15 0.00 -0.80 0.00 0.00 34.13 31.37 1gnl s GLU 340 CO 0.00 -2.29 1.46 1.58 -1.33 0.00 0.00 175.26 174.68 1gnl n HIS 341 N -3.87 2.01 -5.26 4.83 -0.00 -1.26 -4.98 115.22 106.68 1gnl n HIS 341 Ca 0.06 0.41 -0.31 0.00 -0.00 0.00 0.00 57.72 57.88 1gnl n HIS 341 Cb 0.57 -2.46 -0.16 0.00 -0.00 0.00 0.00 29.99 27.94 1gnl n HIS 341 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1gnl s LYS 342 N 0.47 2.56 -0.48 1.57 1.02 -1.26 -5.00 119.74 118.61 1gnl s LYS 342 Ca 0.78 -0.90 -0.22 0.00 0.02 0.00 0.00 55.97 55.64 1gnl s LYS 342 Cb -0.75 -2.17 0.04 0.00 -0.52 0.00 0.00 37.83 34.43 1gnl s LYS 342 CO 0.43 0.38 0.75 0.34 -0.92 0.00 0.00 175.35 176.33 1gnl s ASP 343 N -0.16 6.33 -0.07 2.83 2.15 -1.26 -4.90 116.67 121.59 1gnl s ASP 343 Ca -0.04 -0.41 0.16 0.00 0.43 0.00 0.00 52.55 52.69 1gnl s ASP 343 Cb -0.14 -2.36 0.58 0.00 -0.30 0.00 0.00 42.92 40.71 1gnl s ASP 343 CO 0.04 -0.95 1.47 0.49 -0.17 0.00 0.00 175.17 176.05 1gnl n PHE 344 N 6.65 1.13 -0.35 -5.34 3.72 -1.26 -4.57 117.46 117.43 1gnl n PHE 344 Ca -0.01 -0.47 0.03 0.00 -0.05 0.00 0.00 57.45 56.95 1gnl n PHE 344 Cb 0.47 -0.16 0.18 0.00 -0.94 0.00 0.00 39.48 39.04 1gnl n PHE 344 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1gnl h SER 345 N 3.45 0.96 -0.35 4.37 0.02 -1.97 -1.55 113.55 118.49 1gnl h SER 345 Ca 0.00 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 1gnl h SER 345 Cb 1.13 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1gnl h SER 345 CO 0.14 0.59 -0.34 0.00 -1.14 0.00 0.00 176.83 176.09 1gnl h ALA 346 N 1.47 0.67 -0.27 3.77 0.00 -2.00 -1.28 119.26 121.61 1gnl h ALA 346 Ca 0.44 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1gnl h ALA 346 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gnl h ALA 346 CO -0.20 0.67 -0.34 0.97 0.00 0.00 0.00 179.25 180.35 1gnl h ILE 347 N 0.74 1.29 -0.28 0.00 2.10 -1.77 -0.51 117.51 119.07 1gnl h ILE 347 Ca 0.07 -1.47 -0.03 0.00 1.08 0.00 0.00 64.86 64.51 1gnl h ILE 347 Cb 0.91 1.44 -0.01 0.00 -1.09 0.00 0.00 36.82 38.07 1gnl h ILE 347 CO 0.08 0.47 0.04 0.40 -1.08 0.00 0.00 178.15 178.07 1gnl h ILE 348 N 0.50 1.23 -0.66 2.19 2.04 -1.16 -0.49 117.51 121.16 1gnl h ILE 348 Ca 0.06 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1gnl h ILE 348 Cb 0.83 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1gnl h ILE 348 CO 0.07 0.26 0.42 0.00 0.00 0.00 0.00 178.15 178.89 1gnl h ALA 349 N 0.87 0.84 -0.60 1.87 0.00 -1.06 -2.39 119.26 118.79 1gnl h ALA 349 Ca 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1gnl h ALA 349 Cb 0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1gnl h ALA 349 CO 0.01 0.30 0.38 1.25 0.00 0.00 0.00 179.25 181.18 1gnl h HIS 350 N 0.90 0.72 -0.93 0.00 6.17 -0.88 -2.55 115.15 118.57 1gnl h HIS 350 Ca 0.24 0.02 0.07 0.00 0.71 0.00 0.00 60.37 61.41 1gnl h HIS 350 Cb -0.06 -0.24 -0.06 0.00 2.52 0.00 0.00 27.41 29.57 1gnl h HIS 350 CO -0.02 0.43 0.60 0.00 0.71 0.00 0.00 177.93 179.66 1gnl h ALA 351 N 1.24 1.49 0.00 5.26 0.00 -0.59 -1.13 119.26 125.53 1gnl h ALA 351 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1gnl h ALA 351 Cb -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1gnl h ALA 351 CO -0.07 0.37 -0.01 0.87 0.00 0.00 0.00 179.25 180.41 1gnl h LYS 352 N 1.06 0.00 -0.01 0.00 1.57 -1.10 -1.71 116.57 116.38 1gnl h LYS 352 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1gnl h LYS 352 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1gnl h LYS 352 CO -0.16 0.01 -0.22 0.25 -0.57 0.00 0.00 179.45 178.76 1gnl n THR 353 N -3.13 0.00 -4.01 -0.16 -2.24 -0.43 -4.93 114.28 99.38 1gnl n THR 353 Ca -0.02 -0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 1gnl n THR 353 Cb 0.16 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 1gnl n THR 353 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gnl s PRO 355 N -3.10 1.70 0.89 0.00 0.02 -1.26 -4.72 135.00 128.53 1gnl s PRO 355 Ca 0.33 1.49 -0.10 0.00 0.02 0.00 0.00 61.00 62.74 1gnl s PRO 355 Cb -0.11 -1.81 0.13 0.00 0.02 0.00 0.00 34.50 32.74 1gnl s PRO 355 CO 0.26 -2.12 1.12 0.00 -0.33 0.00 0.00 177.00 175.93 1gnl s ALA 356 N -2.54 1.53 0.59 -1.55 0.00 -1.26 -4.06 121.76 114.47 1gnl s ALA 356 Ca 0.67 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 1gnl s ALA 356 Cb -0.23 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1gnl s ALA 356 CO 0.54 -2.55 1.30 -2.14 0.00 0.00 0.00 175.76 172.90 1gnl s PRO 357 N -4.72 2.91 -0.17 0.00 0.02 -1.23 -4.75 135.00 127.05 1gnl s PRO 357 Ca 0.65 2.09 -0.20 0.00 0.02 0.00 0.00 61.00 63.55 1gnl s PRO 357 Cb -0.21 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.23 1gnl s PRO 357 CO 0.58 -1.33 0.59 0.99 -0.33 0.00 0.00 177.00 177.51 1gnl s THR 358 N -1.39 5.06 0.23 0.99 2.01 -0.56 -4.93 115.64 117.05 1gnl s THR 358 Ca 0.77 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 63.61 1gnl s THR 358 Cb -0.37 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 1gnl s THR 358 CO 0.42 0.17 1.37 -0.70 -0.69 0.00 0.00 174.62 175.19 1gnl s GLU 359 N 1.53 4.33 -0.15 4.92 2.12 -1.26 -4.71 118.70 125.48 1gnl s GLU 359 Ca 0.29 2.17 0.17 0.00 0.36 0.00 0.00 54.97 57.96 1gnl s GLU 359 Cb -0.16 -3.15 -0.24 0.00 0.26 0.00 0.00 34.13 30.84 1gnl s GLU 359 CO 0.11 -0.32 0.13 -0.89 -0.54 0.00 0.00 175.26 173.75 1gnl n ILE 360 N 2.41 1.04 -3.68 -3.70 5.41 -1.26 -5.05 119.36 114.54 1gnl n ILE 360 Ca 0.06 -0.72 -0.04 0.00 1.00 0.00 0.00 62.75 63.04 1gnl n ILE 360 Cb 0.42 -0.41 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 1gnl n ILE 360 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1gnl s GLU 361 N -2.60 1.03 0.34 0.38 -1.05 -1.26 -5.12 118.70 110.41 1gnl s GLU 361 Ca -0.09 -0.53 0.03 0.00 -0.15 0.00 0.00 54.97 54.24 1gnl s GLU 361 Cb 0.07 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 1gnl s GLU 361 CO 0.76 -0.47 0.11 -1.54 0.95 0.00 0.00 175.26 175.08 1gnl s SER 362 N -2.82 2.13 0.00 0.83 1.04 -1.26 -3.48 113.70 110.13 1gnl s SER 362 Ca 0.10 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1gnl s SER 362 Cb -0.01 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1gnl s SER 362 CO -0.01 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1gnl n GLY 363 N -0.70 -0.55 3.21 7.32 0.00 -1.26 -4.77 105.19 108.43 1gnl n GLY 363 Ca -0.02 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 1gnl n GLY 363 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gnl s GLU 364 N 0.00 0.86 0.17 1.61 2.02 -1.26 -1.33 118.70 120.77 1gnl s GLU 364 Ca 0.00 -0.96 0.07 0.00 0.02 0.00 0.00 54.97 54.10 1gnl s GLU 364 Cb 0.00 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 34.53 1gnl s GLU 364 CO 0.00 -0.27 -0.14 0.96 0.02 0.00 0.00 175.26 175.82 1gnl s ILE 365 N -3.86 1.57 -0.03 -1.63 -4.36 -0.53 -4.94 121.20 107.41 1gnl s ILE 365 Ca 0.05 -2.03 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 1gnl s ILE 365 Cb 0.05 -1.86 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 1gnl s ILE 365 CO -0.11 -0.54 -0.11 -0.63 0.24 0.00 0.00 174.94 173.80 1gnl s ILE 366 N -2.69 3.33 0.00 8.37 1.01 -1.26 -0.35 121.20 129.60 1gnl s ILE 366 Ca 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1gnl s ILE 366 Cb -0.02 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1gnl s ILE 366 CO 0.05 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1gnl n GLY 367 N 1.99 1.85 0.00 6.18 0.00 -0.62 -4.63 105.19 109.96 1gnl n GLY 367 Ca -0.17 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1gnl n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnl n GLY 368 N 0.00 1.42 2.51 -0.02 0.00 -0.57 -0.77 105.19 107.76 1gnl n GLY 368 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1gnl n GLY 368 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gnl n PHE 369 N -1.24 2.30 -1.69 1.61 3.72 -0.38 -3.39 117.46 118.38 1gnl n PHE 369 Ca 0.00 -2.51 -0.13 0.00 -0.05 0.00 0.00 57.45 54.76 1gnl n PHE 369 Cb 0.00 -1.63 0.09 0.00 -0.94 0.00 0.00 39.48 37.00 1gnl n PHE 369 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1gnl n ALA 370 N 1.26 -0.53 -0.16 4.37 0.00 -1.26 -3.94 120.51 120.26 1gnl n ALA 370 Ca 0.57 -0.86 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 1gnl n ALA 370 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1gnl n ALA 370 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1gnl h HIS 371 N -1.15 0.80 -0.51 0.00 2.07 -1.91 -0.90 115.15 113.55 1gnl h HIS 371 Ca -0.19 -0.10 0.01 0.00 -2.85 0.00 0.00 60.37 57.23 1gnl h HIS 371 Cb 0.57 -0.22 -0.03 0.00 2.57 0.00 0.00 27.41 30.31 1gnl h HIS 371 CO 0.00 0.74 0.34 -0.97 -3.07 0.00 0.00 177.93 174.97 1gnl h ASN 372 N 0.63 0.58 -0.40 3.10 -0.73 -1.94 0.40 115.58 117.22 1gnl h ASN 372 Ca 0.14 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.25 1gnl h ASN 372 Cb 0.36 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.79 1gnl h ASN 372 CO 0.01 0.42 0.07 -0.61 -0.37 0.00 0.00 177.43 176.94 1gnl h GLN 373 N 0.69 0.65 -0.39 6.67 5.75 -1.66 -1.82 115.11 125.01 1gnl h GLN 373 Ca 0.19 -0.17 -0.15 0.00 -0.15 0.00 0.00 58.65 58.36 1gnl h GLN 373 Cb -0.08 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 1gnl h GLN 373 CO -0.04 0.70 -0.36 0.28 -2.65 0.00 0.00 178.83 176.76 1gnl h VAL 374 N 0.50 1.27 -0.17 2.39 2.07 -1.03 -2.85 116.25 118.43 1gnl h VAL 374 Ca 0.12 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 1gnl h VAL 374 Cb 0.36 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1gnl h VAL 374 CO 0.01 0.51 -0.03 -0.07 0.02 0.00 0.00 177.57 178.01 1gnl h LEU 375 N 0.75 0.23 -1.92 2.57 3.38 -0.81 0.96 115.31 120.46 1gnl h LEU 375 Ca 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1gnl h LEU 375 Cb 0.96 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1gnl h LEU 375 CO 0.09 0.30 -0.09 0.00 0.09 0.00 0.00 178.44 178.83 1gnl h ALA 376 N 1.73 1.17 -0.33 1.53 0.00 -1.12 -2.35 119.26 119.90 1gnl h ALA 376 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gnl h ALA 376 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gnl h ALA 376 CO 0.01 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1gnl n LEU 377 N -3.45 3.29 -0.20 0.00 4.77 0.18 -4.74 117.00 116.85 1gnl n LEU 377 Ca -0.01 -1.45 -0.00 0.00 -0.03 0.00 0.00 56.01 54.51 1gnl n LEU 377 Cb 0.24 -0.21 0.11 0.00 -2.33 0.00 0.00 43.42 41.23 1gnl n LEU 377 CO 0.28 0.70 1.00 0.00 -1.33 0.00 0.00 177.39 178.05 1gnl h ALA 378 N 4.19 0.80 -0.95 -1.18 0.00 -0.57 -1.25 119.26 120.30 1gnl h ALA 378 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1gnl h ALA 378 Cb 0.94 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1gnl h ALA 378 CO 0.00 -0.16 0.61 -0.44 0.00 0.00 0.00 179.25 179.26 1gnl h ASP 379 N 0.45 0.96 -0.03 0.00 3.32 -1.85 0.65 116.42 119.92 1gnl h ASP 379 Ca 0.30 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.20 1gnl h ASP 379 Cb 0.35 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1gnl h ASP 379 CO -0.28 0.61 -0.55 0.11 -1.72 0.00 0.00 179.24 177.41 1gnl h LYS 380 N 1.10 0.62 -0.25 3.56 1.79 -1.62 -0.67 116.57 121.10 1gnl h LYS 380 Ca 0.41 -0.39 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1gnl h LYS 380 Cb 0.18 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1gnl h LYS 380 CO -0.18 1.00 0.01 0.28 -1.08 0.00 0.00 179.45 179.48 1gnl h VAL 381 N 0.47 1.25 -0.52 0.50 2.07 -0.82 -1.70 116.25 117.52 1gnl h VAL 381 Ca 0.01 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.68 1gnl h VAL 381 Cb 1.10 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 1gnl h VAL 381 CO 0.11 0.27 0.30 0.40 0.02 0.00 0.00 177.57 178.67 1gnl h ILE 382 N 0.21 1.04 -0.76 4.57 1.08 -0.80 -0.93 117.51 121.93 1gnl h ILE 382 Ca 0.07 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1gnl h ILE 382 Cb 0.39 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 34.49 1gnl h ILE 382 CO 0.01 0.11 0.41 0.44 -0.69 0.00 0.00 178.15 178.43 1gnl h ASP 383 N 0.60 0.94 0.09 1.72 3.32 -0.99 0.00 116.42 122.10 1gnl h ASP 383 Ca 0.21 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 1gnl h ASP 383 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1gnl h ASP 383 CO -0.10 0.75 -0.46 0.00 -1.72 0.00 0.00 179.24 177.71 1gnl h ALA 384 N 1.40 0.88 -0.18 3.45 0.00 -0.65 -0.73 119.26 123.43 1gnl h ALA 384 Ca 0.27 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1gnl h ALA 384 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1gnl h ALA 384 CO -0.04 0.65 -0.09 0.28 0.00 0.00 0.00 179.25 180.05 1gnl h VAL 385 N 0.36 1.31 -0.55 0.00 2.07 -0.73 -0.70 116.25 118.01 1gnl h VAL 385 Ca 0.02 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1gnl h VAL 385 Cb 0.95 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1gnl h VAL 385 CO 0.08 0.34 0.29 0.11 0.02 0.00 0.00 177.57 178.41 1gnl h LYS 386 N 0.05 0.76 -0.00 1.57 1.57 -0.77 -2.18 116.57 117.56 1gnl h LYS 386 Ca 0.04 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1gnl h LYS 386 Cb 0.57 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1gnl h LYS 386 CO 0.03 0.57 -0.08 -1.13 -0.57 0.00 0.00 179.45 178.27 1gnl n SER 387 N -4.39 0.09 0.00 0.86 3.41 -0.30 -4.92 113.62 108.37 1gnl n SER 387 Ca 0.05 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1gnl n SER 387 Cb 0.11 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1gnl n SER 387 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gnl n GLY 388 N 1.48 0.86 0.30 5.00 0.00 -0.82 -4.93 105.19 107.09 1gnl n GLY 388 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1gnl n GLY 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl h ALA 389 N 0.00 1.01 -2.95 4.61 0.00 -1.42 -3.34 119.26 117.16 1gnl h ALA 389 Ca 0.00 -0.04 -0.70 0.00 0.00 0.00 0.00 54.91 54.17 1gnl h ALA 389 Cb 0.00 -0.29 -0.26 0.00 0.00 0.00 0.00 17.79 17.24 1gnl h ALA 389 CO 0.00 0.35 -0.56 0.42 0.00 0.00 0.00 179.25 179.47 1gnl s ILE 390 N -6.12 4.24 0.02 0.00 1.01 -0.63 -4.67 121.20 115.05 1gnl s ILE 390 Ca -0.13 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.66 1gnl s ILE 390 Cb 0.16 -3.36 -0.23 0.00 0.01 0.00 0.00 42.46 39.03 1gnl s ILE 390 CO 0.78 -0.18 0.91 0.11 0.00 0.00 0.00 174.94 176.56 1gnl h LYS 391 N 8.34 0.06 -2.09 2.79 1.79 -0.85 -3.38 116.57 123.23 1gnl h LYS 391 Ca -0.25 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.06 1gnl h LYS 391 Cb 1.10 0.04 -0.20 0.00 -1.58 0.00 0.00 32.23 31.59 1gnl h LYS 391 CO 0.64 0.81 0.13 0.21 -1.08 0.00 0.00 179.45 180.16 1gnl s LYS 392 N -2.64 0.97 -0.04 3.15 2.47 -1.24 -4.90 119.74 117.51 1gnl s LYS 392 Ca -0.04 0.41 -0.04 0.00 -1.56 0.00 0.00 55.97 54.75 1gnl s LYS 392 Cb 0.08 0.46 -0.04 0.00 -1.46 0.00 0.00 37.83 36.87 1gnl s LYS 392 CO 0.83 -0.26 0.15 -0.06 0.16 0.00 0.00 175.35 176.17 1gnl s PHE 393 N -0.79 3.52 -0.21 4.03 0.08 -0.09 -1.55 117.98 122.97 1gnl s PHE 393 Ca -0.08 0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.37 1gnl s PHE 393 Cb -0.02 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1gnl s PHE 393 CO 0.07 0.66 -0.11 0.08 -0.10 0.00 0.00 175.22 175.82 1gnl s VAL 394 N -1.20 1.75 -0.36 -0.44 1.01 0.52 -0.84 120.40 120.83 1gnl s VAL 394 Ca 0.23 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1gnl s VAL 394 Cb -0.12 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1gnl s VAL 394 CO 0.13 0.16 1.08 -0.69 0.00 0.00 0.00 175.10 175.78 1gnl s VAL 395 N 1.34 4.44 -0.16 2.92 1.01 0.64 -0.85 120.40 129.75 1gnl s VAL 395 Ca -0.02 1.58 0.17 0.00 0.00 0.00 0.00 61.98 63.71 1gnl s VAL 395 Cb -0.17 -4.46 0.35 0.00 0.00 0.00 0.00 36.38 32.10 1gnl s VAL 395 CO -0.08 -0.62 1.20 0.23 0.00 0.00 0.00 175.10 175.84 1gnl n MET 396 N 7.11 1.53 -0.60 2.72 2.81 -0.03 -0.42 117.12 130.24 1gnl n MET 396 Ca 0.12 -2.77 -0.29 0.00 -1.81 0.00 0.00 57.70 52.95 1gnl n MET 396 Cb 0.48 -1.57 0.23 0.00 -0.71 0.00 0.00 33.22 31.64 1gnl n MET 396 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gnl s ALA 397 N -2.96 0.00 0.00 3.04 0.00 -1.22 -4.56 121.76 116.06 1gnl s ALA 397 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1gnl s ALA 397 Cb 0.31 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1gnl s ALA 397 CO 0.02 -3.57 0.00 0.41 0.00 0.00 0.00 175.76 172.61 1gnl n GLY 398 N 0.60 0.55 3.10 0.00 0.00 -0.11 -2.68 105.19 106.65 1gnl n GLY 398 Ca 0.05 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 1gnl n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl s ASP 400 N 0.27 3.96 0.10 0.00 2.15 -1.26 -3.53 116.67 118.36 1gnl s ASP 400 Ca -0.09 0.38 -0.10 0.00 0.43 0.00 0.00 52.55 53.18 1gnl s ASP 400 Cb -0.13 -0.70 0.03 0.00 -0.30 0.00 0.00 42.92 41.82 1gnl s ASP 400 CO 0.03 -2.19 0.47 0.61 -0.17 0.00 0.00 175.17 173.91 1gnl n GLY 401 N -3.38 1.05 0.18 2.66 0.00 -1.26 -4.69 105.19 99.75 1gnl n GLY 401 Ca 0.12 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 45.16 1gnl n GLY 401 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gnl h ARG 402 N 0.00 0.00 -6.49 1.61 3.08 -1.99 -3.48 114.38 107.11 1gnl h ARG 402 Ca -0.13 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.33 1gnl h ARG 402 Cb 0.56 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.67 1gnl h ARG 402 CO 0.17 0.35 0.74 0.00 -1.07 0.00 0.00 179.97 180.16 1gnl n ALA 403 N -2.22 1.07 -0.28 0.04 0.00 -1.26 -4.85 120.51 113.01 1gnl n ALA 403 Ca 0.01 0.45 0.17 0.00 0.00 0.00 0.00 53.44 54.07 1gnl n ALA 403 Cb 0.59 -2.31 0.45 0.00 0.00 0.00 0.00 19.45 18.18 1gnl n ALA 403 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1gnl h LYS 404 N 5.56 0.51 -0.00 0.00 3.64 -2.05 -1.19 116.57 123.04 1gnl h LYS 404 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1gnl h LYS 404 Cb 1.27 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1gnl h LYS 404 CO 0.86 0.34 0.03 0.66 -2.27 0.00 0.00 179.45 179.07 1gnl h SER 405 N 0.53 0.00 0.33 4.20 4.64 -1.99 -2.14 113.55 119.12 1gnl h SER 405 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1gnl h SER 405 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1gnl h SER 405 CO -0.24 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.26 1gnl n ARG 406 N -3.07 0.15 0.17 4.77 1.74 -0.45 -1.53 116.66 118.44 1gnl n ARG 406 Ca -0.03 0.18 0.18 0.00 -0.77 0.00 0.00 57.85 57.41 1gnl n ARG 406 Cb 0.10 -1.50 0.80 0.00 -1.02 0.00 0.00 32.46 30.84 1gnl n ARG 406 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1gnl h SER 407 N 0.00 0.00 -0.85 0.55 4.64 -1.60 -1.05 113.55 115.25 1gnl h SER 407 Ca 0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 1gnl h SER 407 Cb 0.17 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.12 1gnl h SER 407 CO 0.00 0.00 0.23 0.22 -0.87 0.00 0.00 176.83 176.41 1gnl h TYR 408 N 0.00 0.36 -0.24 4.77 5.03 -1.54 -0.79 116.97 124.56 1gnl h TYR 408 Ca 0.12 0.05 -0.17 0.00 2.58 0.00 0.00 58.73 61.31 1gnl h TYR 408 Cb 0.70 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.96 1gnl h TYR 408 CO 0.00 -0.16 -0.53 1.88 -1.32 0.00 0.00 178.16 178.03 1gnl h TYR 409 N 0.24 0.85 -0.07 -3.82 0.05 -1.43 0.19 116.97 112.98 1gnl h TYR 409 Ca 0.52 -0.29 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 1gnl h TYR 409 Cb 1.01 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.58 1gnl h TYR 409 CO -0.26 1.06 0.03 1.15 -1.05 0.00 0.00 178.16 179.10 1gnl h THR 410 N 0.53 1.12 -0.42 -2.88 2.02 -1.51 -1.54 112.91 110.23 1gnl h THR 410 Ca 0.02 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 1gnl h THR 410 Cb 1.09 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1gnl h THR 410 CO 0.11 0.11 -0.18 0.44 0.37 0.00 0.00 175.52 176.36 1gnl h ASP 411 N -0.02 0.82 -0.15 4.18 3.32 -0.96 -0.36 116.42 123.25 1gnl h ASP 411 Ca 0.02 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 1gnl h ASP 411 Cb 0.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1gnl h ASP 411 CO -0.00 0.99 0.07 0.15 -1.72 0.00 0.00 179.24 178.73 1gnl h PHE 412 N 0.72 0.21 -0.33 4.55 3.04 -0.62 -0.25 116.94 124.26 1gnl h PHE 412 Ca 0.11 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.07 1gnl h PHE 412 Cb 0.69 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 1gnl h PHE 412 CO 0.04 0.24 0.17 0.00 -2.02 0.00 0.00 178.31 176.74 1gnl h ALA 413 N 0.95 0.40 -0.41 2.41 0.00 -1.04 -1.59 119.26 119.99 1gnl h ALA 413 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1gnl h ALA 413 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1gnl h ALA 413 CO -0.01 -0.19 0.03 1.49 0.00 0.00 0.00 179.25 180.56 1gnl h GLU 414 N 0.36 0.65 -0.00 0.00 4.57 -0.95 -2.92 114.58 116.29 1gnl h GLU 414 Ca 0.13 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1gnl h GLU 414 Cb 0.03 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1gnl h GLU 414 CO -0.08 0.65 -0.18 0.41 -1.18 0.00 0.00 179.01 178.63 1gnl n GLY 415 N -0.82 -1.36 3.77 1.92 0.00 -0.11 -4.89 105.19 103.70 1gnl n GLY 415 Ca 0.02 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1gnl n GLY 415 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gnl s LEU 416 N -2.95 4.22 0.77 0.99 1.43 -0.63 -4.96 118.68 117.56 1gnl s LEU 416 Ca 0.15 3.01 -0.14 0.00 -1.03 0.00 0.00 54.13 56.11 1gnl s LEU 416 Cb 0.19 -3.79 0.06 0.00 0.03 0.00 0.00 46.19 42.68 1gnl s LEU 416 CO 0.58 -1.03 1.21 -2.84 0.23 0.00 0.00 176.35 174.51 1gnl s PRO 417 N -2.27 1.87 0.00 1.29 0.02 -1.26 -4.88 135.00 129.78 1gnl s PRO 417 Ca 0.57 1.79 0.07 0.00 0.02 0.00 0.00 61.00 63.44 1gnl s PRO 417 Cb -0.46 -1.80 0.43 0.00 0.02 0.00 0.00 34.50 32.70 1gnl s PRO 417 CO 0.61 -2.04 1.17 1.63 -0.33 0.00 0.00 177.00 178.04 1gnl n LYS 418 N -3.00 0.88 -0.65 5.54 5.02 -1.26 -2.44 118.16 122.26 1gnl n LYS 418 Ca 0.14 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.51 1gnl n LYS 418 Cb 0.50 -1.13 0.33 0.00 -0.02 0.00 0.00 35.03 34.72 1gnl n LYS 418 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1gnl n ASP 419 N -0.63 4.76 -4.48 4.39 5.68 -1.26 -4.82 116.55 120.19 1gnl n ASP 419 Ca 0.05 -2.81 -0.28 0.00 -0.50 0.00 0.00 54.79 51.26 1gnl n ASP 419 Cb 0.02 -0.59 -0.11 0.00 -1.14 0.00 0.00 41.12 39.30 1gnl n ASP 419 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1gnl s THR 420 N -2.50 2.70 -0.10 2.12 -4.23 -1.02 -0.38 115.64 112.23 1gnl s THR 420 Ca 0.48 -1.74 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1gnl s THR 420 Cb 0.36 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1gnl s THR 420 CO 0.15 -0.02 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.29 1gnl s VAL 421 N -1.44 1.98 -0.11 2.29 1.01 -0.60 -4.85 120.40 118.68 1gnl s VAL 421 Ca 0.20 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 1gnl s VAL 421 Cb -0.09 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1gnl s VAL 421 CO 0.11 0.54 0.62 -0.63 0.00 0.00 0.00 175.10 175.74 1gnl s ILE 422 N 0.44 5.08 -0.18 2.22 1.01 0.79 -0.35 121.20 130.20 1gnl s ILE 422 Ca -0.17 1.24 -0.07 0.00 0.00 0.00 0.00 60.65 61.65 1gnl s ILE 422 Cb -0.17 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1gnl s ILE 422 CO 0.07 0.24 0.05 -0.76 0.00 0.00 0.00 174.94 174.54 1gnl s LEU 423 N 1.02 3.69 0.19 2.97 1.43 -0.03 -0.64 118.68 127.31 1gnl s LEU 423 Ca 0.32 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1gnl s LEU 423 Cb -0.16 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1gnl s LEU 423 CO 0.14 0.16 0.08 0.28 0.23 0.00 0.00 176.35 177.23 1gnl s THR 424 N 0.48 0.27 -0.28 5.49 -1.32 -0.31 -0.85 115.64 119.12 1gnl s THR 424 Ca 0.02 -1.97 -0.26 0.00 -1.21 0.00 0.00 61.69 58.26 1gnl s THR 424 Cb -0.13 -2.35 0.17 0.00 -1.51 0.00 0.00 72.50 68.68 1gnl s THR 424 CO 0.01 -0.20 1.27 0.00 -2.21 0.00 0.00 174.62 173.49 1gnl s ALA 425 N -3.95 -2.11 0.00 11.08 0.00 -1.26 -0.89 121.76 124.63 1gnl s ALA 425 Ca 0.32 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1gnl s ALA 425 Cb 0.07 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1gnl s ALA 425 CO 0.08 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1gnl n GLY 426 N 1.49 -0.87 0.00 0.00 0.00 -0.43 -0.93 105.19 104.45 1gnl n GLY 426 Ca -0.09 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.35 1gnl n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl h ALA 428 N 2.62 2.38 -0.47 0.00 0.00 -1.50 -1.94 119.26 120.35 1gnl h ALA 428 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1gnl h ALA 428 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1gnl h ALA 428 CO 0.00 -0.84 0.35 1.57 0.00 0.00 0.00 179.25 180.33 1gnl h LYS 429 N 0.00 0.00 0.00 0.00 2.10 -1.63 -2.55 116.57 114.49 1gnl h LYS 429 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 1gnl h LYS 429 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1gnl h LYS 429 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1gnl n TYR 430 N -4.30 0.66 0.46 0.07 4.01 -0.73 -0.90 117.16 116.44 1gnl n TYR 430 Ca 0.08 0.27 0.12 0.00 -0.16 0.00 0.00 57.90 58.21 1gnl n TYR 430 Cb 0.56 -0.94 0.46 0.00 -0.31 0.00 0.00 39.34 39.11 1gnl n TYR 430 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1gnl n ARG 431 N -2.12 0.18 0.00 -0.72 5.12 -0.96 -4.16 116.66 114.00 1gnl n ARG 431 Ca 0.02 0.36 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1gnl n ARG 431 Cb 0.19 -1.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 1gnl n ARG 431 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1gnl n TYR 432 N -2.16 0.00 1.55 -1.55 0.18 -0.63 -3.92 117.16 110.63 1gnl n TYR 432 Ca 0.03 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.92 1gnl n TYR 432 Cb 0.26 0.03 0.48 0.00 -0.38 0.00 0.00 39.34 39.73 1gnl n TYR 432 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1gnl n ASN 433 N 0.00 1.01 -0.44 9.48 6.94 -0.08 -3.13 115.26 129.04 1gnl n ASN 433 Ca 0.00 -1.56 0.04 0.00 -0.02 0.00 0.00 54.58 53.04 1gnl n ASN 433 Cb 0.34 -0.06 0.10 0.00 -2.36 0.00 0.00 39.78 37.81 1gnl n ASN 433 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1gnl n LYS 434 N -0.13 2.67 -2.42 -3.83 4.76 -1.26 -4.92 118.16 113.03 1gnl n LYS 434 Ca 0.16 -1.81 -0.23 0.00 -2.87 0.00 0.00 58.31 53.56 1gnl n LYS 434 Cb 0.23 -1.19 0.06 0.00 -1.84 0.00 0.00 35.03 32.29 1gnl n LYS 434 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1gnl s LEU 435 N -0.97 3.04 -0.74 -0.35 1.43 -1.18 -5.04 118.68 114.86 1gnl s LEU 435 Ca 0.16 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1gnl s LEU 435 Cb 0.08 -2.91 0.19 0.00 0.03 0.00 0.00 46.19 43.58 1gnl s LEU 435 CO 0.11 -1.42 0.58 0.21 0.23 0.00 0.00 176.35 176.06 1gnl s ASN 436 N -4.50 5.48 0.00 2.29 2.47 -1.26 -4.90 114.94 114.52 1gnl s ASN 436 Ca 0.59 -3.31 0.22 0.00 0.42 0.00 0.00 52.86 50.78 1gnl s ASN 436 Cb -0.10 -1.85 -0.03 0.00 -1.45 0.00 0.00 41.25 37.82 1gnl s ASN 436 CO 0.42 -0.26 1.04 0.18 -3.72 0.00 0.00 177.10 174.76 1gnl n LEU 437 N 2.86 0.89 0.00 3.21 4.77 -1.26 -5.08 117.00 122.39 1gnl n LEU 437 Ca 0.14 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1gnl n LEU 437 Cb 0.37 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1gnl n LEU 437 CO 0.34 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1gnl n GLY 438 N 1.50 -1.04 3.29 -0.72 0.00 -1.26 -4.75 105.19 102.21 1gnl n GLY 438 Ca 0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 1gnl n GLY 438 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gnl s ASP 439 N -4.00 0.06 -0.24 1.61 1.47 -1.26 -1.35 116.67 112.96 1gnl s ASP 439 Ca 0.00 -0.78 0.02 0.00 1.18 0.00 0.00 52.55 52.97 1gnl s ASP 439 Cb 0.00 0.40 0.05 0.00 -0.34 0.00 0.00 42.92 43.04 1gnl s ASP 439 CO 0.00 -0.83 -0.10 -0.63 0.68 0.00 0.00 175.17 174.28 1gnl s ILE 440 N -3.93 1.93 -1.32 2.11 1.01 0.02 -4.72 121.20 116.32 1gnl s ILE 440 Ca 0.12 -1.39 -0.06 0.00 0.00 0.00 0.00 60.65 59.32 1gnl s ILE 440 Cb 0.04 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.50 1gnl s ILE 440 CO -0.04 0.03 0.41 0.61 0.00 0.00 0.00 174.94 175.95 1gnl n GLY 441 N 4.54 -0.50 1.43 6.18 0.00 -1.26 -0.90 105.19 114.69 1gnl n GLY 441 Ca -0.14 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1gnl n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnl n GLY 442 N -1.18 2.46 3.66 -0.02 0.00 -1.26 -5.03 105.19 103.83 1gnl n GLY 442 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1gnl n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gnl s ILE 443 N -2.28 4.69 0.52 -0.61 1.01 -0.07 -5.00 121.20 119.46 1gnl s ILE 443 Ca 0.00 2.03 -0.22 0.00 0.00 0.00 0.00 60.65 62.46 1gnl s ILE 443 Cb 0.00 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 1gnl s ILE 443 CO 0.00 -0.16 1.19 -2.65 0.00 0.00 0.00 174.94 173.32 1gnl n PRO 444 N 6.18 1.47 0.00 2.79 -0.02 -1.26 -0.80 135.00 143.36 1gnl n PRO 444 Ca 0.12 0.54 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 1gnl n PRO 444 Cb 0.46 -2.36 0.61 0.00 -0.02 0.00 0.00 33.50 32.20 1gnl n PRO 444 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1gnl n ARG 445 N -0.67 0.23 -4.04 -0.52 1.74 -0.45 -4.35 116.66 108.59 1gnl n ARG 445 Ca 0.10 0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 56.93 1gnl n ARG 445 Cb 0.44 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.21 1gnl n ARG 445 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gnl s VAL 446 N -2.74 1.71 -0.36 1.55 1.01 -1.26 -0.15 120.40 120.17 1gnl s VAL 446 Ca 0.20 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1gnl s VAL 446 Cb 0.17 -1.64 0.07 0.00 0.00 0.00 0.00 36.38 34.98 1gnl s VAL 446 CO 0.42 0.40 0.13 -0.76 0.00 0.00 0.00 175.10 175.29 1gnl s LEU 447 N 1.41 4.58 -0.44 3.92 1.43 0.19 -4.94 118.68 124.83 1gnl s LEU 447 Ca 0.03 -1.46 -0.19 0.00 -1.03 0.00 0.00 54.13 51.48 1gnl s LEU 447 Cb -0.14 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.27 1gnl s LEU 447 CO -0.10 -0.40 0.55 -0.62 0.23 0.00 0.00 176.35 176.01 1gnl s ASP 448 N 1.59 6.26 0.29 2.29 2.15 -1.26 -1.17 116.67 126.82 1gnl s ASP 448 Ca 0.01 -0.55 0.25 0.00 0.43 0.00 0.00 52.55 52.69 1gnl s ASP 448 Cb -0.21 -2.28 0.64 0.00 -0.30 0.00 0.00 42.92 40.77 1gnl s ASP 448 CO -0.00 -0.71 1.71 0.00 -0.17 0.00 0.00 175.17 176.00 1gnl h ALA 449 N 8.83 0.99 0.00 3.66 0.00 -1.13 -0.72 119.26 130.89 1gnl h ALA 449 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1gnl h ALA 449 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1gnl h ALA 449 CO 0.86 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1gnl n GLY 450 N 1.24 0.42 3.88 0.00 0.00 -1.26 -4.17 105.19 105.30 1gnl n GLY 450 Ca 0.05 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1gnl n GLY 450 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gnl s GLN 451 N -0.67 1.41 0.36 1.61 -0.21 -1.26 -1.31 119.66 119.59 1gnl s GLN 451 Ca 0.00 0.01 0.07 0.00 0.02 0.00 0.00 55.36 55.46 1gnl s GLN 451 Cb 0.00 -1.90 0.77 0.00 1.00 0.00 0.00 33.01 32.89 1gnl s GLN 451 CO 0.00 -1.96 1.93 0.00 -2.12 0.00 0.00 175.29 173.15 1gnl h ASN 453 N 0.73 0.00 0.00 0.00 -1.07 -1.94 -0.94 115.58 112.35 1gnl h ASN 453 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.72 1gnl h ASN 453 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1gnl h ASN 453 CO -0.13 0.01 0.00 0.47 0.07 0.00 0.00 177.43 177.85 1gnl n ASP 454 N -4.13 0.00 0.14 6.14 8.00 0.86 -1.89 116.55 125.67 1gnl n ASP 454 Ca -0.03 -0.96 0.18 0.00 0.71 0.00 0.00 54.79 54.69 1gnl n ASP 454 Cb 0.09 0.00 0.77 0.00 -0.02 0.00 0.00 41.12 41.96 1gnl n ASP 454 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1gnl h SER 455 N 0.00 0.00 -0.49 -2.24 0.02 -1.21 -0.56 113.55 109.07 1gnl h SER 455 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1gnl h SER 455 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1gnl h SER 455 CO 0.00 0.00 0.05 0.22 -1.14 0.00 0.00 176.83 175.96 1gnl h TYR 456 N 0.00 0.06 -0.99 3.45 3.20 -1.61 -1.43 116.97 119.65 1gnl h TYR 456 Ca 0.14 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1gnl h TYR 456 Cb 0.71 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.96 1gnl h TYR 456 CO 0.00 -0.06 0.64 0.77 -1.64 0.00 0.00 178.16 177.87 1gnl h SER 457 N 0.17 1.05 -0.86 -2.11 0.02 -1.34 -0.74 113.55 109.74 1gnl h SER 457 Ca 0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1gnl h SER 457 Cb 0.35 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1gnl h SER 457 CO -0.37 0.69 0.44 -0.07 -1.14 0.00 0.00 176.83 176.39 1gnl h LEU 458 N 1.20 1.09 -0.49 5.07 3.38 -1.21 0.59 115.31 124.96 1gnl h LEU 458 Ca 0.41 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1gnl h LEU 458 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1gnl h LEU 458 CO -0.15 0.90 0.06 0.00 0.09 0.00 0.00 178.44 179.34 1gnl h ALA 459 N 1.24 0.65 -0.59 1.53 0.00 -0.66 -0.89 119.26 120.54 1gnl h ALA 459 Ca 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gnl h ALA 459 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1gnl h ALA 459 CO -0.04 0.40 0.37 0.28 0.00 0.00 0.00 179.25 180.26 1gnl h VAL 460 N 0.69 1.16 -0.29 0.00 2.07 -0.76 -0.29 116.25 118.83 1gnl h VAL 460 Ca 0.14 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1gnl h VAL 460 Cb 0.42 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1gnl h VAL 460 CO 0.01 0.16 0.15 0.40 0.02 0.00 0.00 177.57 178.31 1gnl h ILE 461 N 0.80 1.14 -0.67 4.57 2.04 -0.74 -0.60 117.51 124.05 1gnl h ILE 461 Ca 0.21 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1gnl h ILE 461 Cb -0.06 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1gnl h ILE 461 CO -0.04 0.14 0.42 0.00 0.00 0.00 0.00 178.15 178.67 1gnl h ALA 462 N 1.01 0.85 -0.20 1.87 0.00 -0.79 -0.90 119.26 121.11 1gnl h ALA 462 Ca 0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1gnl h ALA 462 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1gnl h ALA 462 CO -0.01 0.31 -0.23 -0.07 0.00 0.00 0.00 179.25 179.25 1gnl h LEU 463 N 0.91 0.35 -0.34 0.00 3.38 -0.87 -0.68 115.31 118.07 1gnl h LEU 463 Ca 0.24 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1gnl h LEU 463 Cb -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1gnl h LEU 463 CO -0.05 0.60 0.07 0.50 0.09 0.00 0.00 178.44 179.64 1gnl h LYS 464 N 0.32 0.55 -0.81 1.13 1.63 -0.49 -2.24 116.57 116.66 1gnl h LYS 464 Ca 0.05 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1gnl h LYS 464 Cb 0.59 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.12 1gnl h LYS 464 CO 0.04 0.62 0.36 -0.07 -3.45 0.00 0.00 179.45 176.95 1gnl h LEU 465 N 0.39 1.09 -0.67 5.20 3.38 -0.80 -0.69 115.31 123.21 1gnl h LEU 465 Ca 0.10 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1gnl h LEU 465 Cb 0.33 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1gnl h LEU 465 CO 0.00 0.94 0.35 0.50 0.09 0.00 0.00 178.44 180.32 1gnl h LYS 466 N 1.16 0.60 -0.12 1.13 3.64 -0.97 -1.22 116.57 120.80 1gnl h LYS 466 Ca 0.27 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1gnl h LYS 466 Cb 0.17 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1gnl h LYS 466 CO -0.03 0.40 -0.01 1.49 -2.27 0.00 0.00 179.45 179.03 1gnl h GLU 467 N 0.62 0.21 -0.76 1.90 4.81 -0.77 -1.35 114.58 119.24 1gnl h GLU 467 Ca 0.31 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1gnl h GLU 467 Cb 0.26 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1gnl h GLU 467 CO -0.22 0.47 0.28 0.28 -0.73 0.00 0.00 179.01 179.10 1gnl h VAL 468 N -0.08 1.26 0.00 0.32 2.07 -0.91 -1.54 116.25 117.37 1gnl h VAL 468 Ca 0.03 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1gnl h VAL 468 Cb 0.38 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1gnl h VAL 468 CO 0.01 0.34 0.00 0.49 0.02 0.00 0.00 177.57 178.42 1gnl n PHE 469 N -4.27 0.00 -3.00 1.57 3.72 -0.48 -4.92 117.46 110.08 1gnl n PHE 469 Ca 0.07 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.28 1gnl n PHE 469 Cb 0.20 -0.26 0.04 0.00 -0.94 0.00 0.00 39.48 38.52 1gnl n PHE 469 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gnl n GLY 470 N 1.17 -0.28 3.84 1.37 0.00 -0.58 -4.98 105.19 105.73 1gnl n GLY 470 Ca 0.15 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1gnl n GLY 470 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gnl s LEU 471 N -5.61 4.35 0.34 0.99 1.43 -0.59 -4.98 118.68 114.61 1gnl s LEU 471 Ca 0.30 1.16 0.18 0.00 -1.03 0.00 0.00 54.13 54.75 1gnl s LEU 471 Cb -0.13 -3.32 0.24 0.00 0.03 0.00 0.00 46.19 43.01 1gnl s LEU 471 CO 0.37 0.10 1.53 -0.33 0.23 0.00 0.00 176.35 178.25 1gnl h GLU 472 N 3.58 0.00 -3.93 1.70 4.39 -1.94 -3.45 114.58 114.93 1gnl h GLU 472 Ca -0.48 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 58.79 1gnl h GLU 472 Cb 1.19 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.49 1gnl h GLU 472 CO 0.65 0.32 -0.77 0.34 -1.16 0.00 0.00 179.01 178.39 1gnl s ASP 473 N -6.35 1.26 0.55 1.42 -1.08 -1.26 -5.01 116.67 106.20 1gnl s ASP 473 Ca 0.05 -0.13 0.26 0.00 -0.52 0.00 0.00 52.55 52.21 1gnl s ASP 473 Cb 0.07 -0.48 1.48 0.00 -1.46 0.00 0.00 42.92 42.53 1gnl s ASP 473 CO 0.71 -0.11 2.03 1.62 0.52 0.00 0.00 175.17 179.95 1gnl h VAL 474 N 6.21 0.64 0.00 1.11 3.04 -1.91 -0.95 116.25 124.38 1gnl h VAL 474 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1gnl h VAL 474 Cb 1.14 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1gnl h VAL 474 CO 0.40 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.55 1gnl n ASN 475 N -4.13 0.00 -0.34 3.17 4.13 -1.26 -2.41 115.26 114.41 1gnl n ASN 475 Ca 0.06 0.33 0.14 0.00 1.68 0.00 0.00 54.58 56.79 1gnl n ASN 475 Cb 0.47 -0.42 0.62 0.00 -1.54 0.00 0.00 39.78 38.91 1gnl n ASN 475 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1gnl n ASP 476 N -1.42 1.06 -4.80 6.41 8.00 -0.36 -4.84 116.55 120.59 1gnl n ASP 476 Ca 0.06 -1.39 -0.32 0.00 0.71 0.00 0.00 54.79 53.85 1gnl n ASP 476 Cb 0.18 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1gnl n ASP 476 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gnl s LEU 477 N -1.94 3.39 -1.42 0.64 1.43 -1.01 -4.93 118.68 114.83 1gnl s LEU 477 Ca 0.40 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.16 1gnl s LEU 477 Cb 0.21 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.96 1gnl s LEU 477 CO 0.33 -1.30 2.22 -0.81 0.23 0.00 0.00 176.35 177.02 1gnl n PRO 478 N -2.38 3.20 -4.29 1.29 -0.04 -1.26 -4.87 135.00 126.66 1gnl n PRO 478 Ca 0.09 -2.84 -0.23 0.00 -0.04 0.00 0.00 63.50 60.48 1gnl n PRO 478 Cb 0.53 -3.12 -0.17 0.00 -0.04 0.00 0.00 33.50 30.70 1gnl n PRO 478 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1gnl s ILE 479 N 2.19 0.84 -0.09 0.52 1.01 -1.26 -0.92 121.20 123.49 1gnl s ILE 479 Ca 0.48 -0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 1gnl s ILE 479 Cb 0.13 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1gnl s ILE 479 CO -0.06 0.30 0.01 -0.69 0.00 0.00 0.00 174.94 174.49 1gnl s VAL 480 N 0.96 4.34 -0.30 2.92 1.01 -0.02 -4.98 120.40 124.34 1gnl s VAL 480 Ca -0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1gnl s VAL 480 Cb -0.15 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1gnl s VAL 480 CO 0.00 0.60 0.05 -0.31 0.00 0.00 0.00 175.10 175.44 1gnl s TYR 481 N -0.84 3.19 -0.59 5.22 1.51 -1.26 -0.26 117.35 124.32 1gnl s TYR 481 Ca 0.13 -1.41 0.05 0.00 -1.01 0.00 0.00 57.07 54.83 1gnl s TYR 481 Cb -0.11 -2.19 0.18 0.00 -0.11 0.00 0.00 41.96 39.72 1gnl s TYR 481 CO 0.02 -0.70 0.46 -1.71 -1.11 0.00 0.00 175.55 172.52 1gnl n ASN 482 N 4.76 1.75 -4.79 2.29 2.85 0.45 -0.95 115.26 121.62 1gnl n ASN 482 Ca -0.14 -2.92 -0.37 0.00 -0.11 0.00 0.00 54.58 51.04 1gnl n ASN 482 Cb 0.46 -0.68 -0.07 0.00 1.24 0.00 0.00 39.78 40.74 1gnl n ASN 482 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1gnl s ILE 483 N -1.02 5.28 -0.12 -1.44 1.01 -0.12 -4.16 121.20 120.62 1gnl s ILE 483 Ca 0.29 0.55 -0.07 0.00 0.00 0.00 0.00 60.65 61.43 1gnl s ILE 483 Cb 0.01 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1gnl s ILE 483 CO -0.17 0.49 0.13 0.00 0.00 0.00 0.00 174.94 175.40 1gnl s ALA 484 N -0.26 3.85 0.19 9.38 0.00 -1.09 -1.73 121.76 132.10 1gnl s ALA 484 Ca 0.18 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.58 1gnl s ALA 484 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 1gnl s ALA 484 CO 0.06 0.60 -0.17 1.67 0.00 0.00 0.00 175.76 177.93 1gnl s TRP 485 N -0.97 1.81 0.25 0.00 1.48 -0.45 -1.04 118.94 120.03 1gnl s TRP 485 Ca 0.15 -0.50 0.00 0.00 -1.06 0.00 0.00 56.10 54.68 1gnl s TRP 485 Cb -0.12 -0.86 0.00 0.00 -1.16 0.00 0.00 33.47 31.33 1gnl s TRP 485 CO 0.04 0.38 0.00 0.98 -4.06 0.00 0.00 176.95 174.29 1gnl n TYR 486 N -0.10 -2.09 -2.75 1.66 9.36 -1.24 -4.63 117.16 117.36 1gnl n TYR 486 Ca -0.10 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.49 1gnl n TYR 486 Cb 0.59 0.48 0.00 0.00 -0.63 0.00 0.00 39.34 39.78 1gnl n TYR 486 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1gnl n GLU 487 N -3.47 3.49 0.15 2.98 -0.00 -1.26 -0.86 120.64 121.66 1gnl n GLU 487 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.18 1gnl n GLU 487 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 31.44 31.55 1gnl n GLU 487 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1gnl h GLN 488 N 0.00 0.00 -0.59 3.44 7.50 -1.87 -2.54 115.11 121.06 1gnl h GLN 488 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1gnl h GLN 488 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 1gnl h GLN 488 CO 0.00 0.52 0.25 0.87 -1.50 0.00 0.00 178.83 178.98 1gnl h LYS 489 N 0.00 0.86 -0.64 1.46 1.57 -1.87 -1.85 116.57 116.11 1gnl h LYS 489 Ca -0.01 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1gnl h LYS 489 Cb 1.27 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1gnl h LYS 489 CO 0.07 0.72 0.38 0.00 -0.57 0.00 0.00 179.45 180.05 1gnl h ALA 490 N 1.10 1.47 -0.31 3.86 0.00 -1.88 -1.56 119.26 121.94 1gnl h ALA 490 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1gnl h ALA 490 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1gnl h ALA 490 CO -0.02 0.46 0.19 0.28 0.00 0.00 0.00 179.25 180.16 1gnl h VAL 491 N 0.87 1.10 -0.26 0.00 2.07 -1.04 -0.99 116.25 118.00 1gnl h VAL 491 Ca 0.23 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1gnl h VAL 491 Cb -0.03 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1gnl h VAL 491 CO -0.04 0.10 -0.16 -0.29 0.02 0.00 0.00 177.57 177.20 1gnl h ILE 492 N 0.41 1.23 -0.46 4.57 6.09 -0.82 -1.04 117.51 127.50 1gnl h ILE 492 Ca 0.11 -1.05 -0.01 0.00 -1.37 0.00 0.00 64.86 62.54 1gnl h ILE 492 Cb -0.00 1.21 -0.02 0.00 0.47 0.00 0.00 36.82 38.48 1gnl h ILE 492 CO -0.02 0.34 0.24 0.58 -3.07 0.00 0.00 178.15 176.22 1gnl h VAL 493 N 0.41 1.17 -0.07 2.19 2.07 -1.00 0.63 116.25 121.64 1gnl h VAL 493 Ca 0.07 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1gnl h VAL 493 Cb 0.52 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1gnl h VAL 493 CO 0.03 0.18 0.04 0.25 0.02 0.00 0.00 177.57 178.10 1gnl h LEU 494 N 0.60 0.07 -1.11 2.57 5.85 -0.79 -0.97 115.31 121.52 1gnl h LEU 494 Ca 0.16 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1gnl h LEU 494 Cb 0.08 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1gnl h LEU 494 CO -0.02 0.05 0.27 -0.07 -0.34 0.00 0.00 178.44 178.32 1gnl h LEU 495 N 0.09 0.81 -0.11 2.25 3.38 -1.00 -1.04 115.31 119.69 1gnl h LEU 495 Ca 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1gnl h LEU 495 Cb -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1gnl h LEU 495 CO -0.02 0.71 0.06 0.00 0.09 0.00 0.00 178.44 179.29 1gnl h ALA 496 N 1.41 0.13 -0.77 1.53 0.00 -0.58 -0.11 119.26 120.87 1gnl h ALA 496 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1gnl h ALA 496 Cb 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1gnl h ALA 496 CO -0.02 -0.39 0.44 -0.07 0.00 0.00 0.00 179.25 179.20 1gnl h LEU 497 N 0.13 0.95 -0.79 0.00 3.38 -0.70 -1.63 115.31 116.65 1gnl h LEU 497 Ca 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1gnl h LEU 497 Cb 0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1gnl h LEU 497 CO -0.02 0.76 0.41 -0.07 0.09 0.00 0.00 178.44 179.61 1gnl h LEU 498 N 1.06 1.01 -1.66 1.67 3.38 -0.93 -1.81 115.31 118.03 1gnl h LEU 498 Ca 0.27 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1gnl h LEU 498 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1gnl h LEU 498 CO -0.05 0.84 -0.19 0.77 0.09 0.00 0.00 178.44 179.90 1gnl h SER 499 N 1.11 0.00 0.00 -0.43 4.64 -0.47 -1.16 113.55 117.24 1gnl h SER 499 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1gnl h SER 499 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1gnl h SER 499 CO -0.04 0.19 -0.00 0.18 -0.87 0.00 0.00 176.83 176.29 1gnl n LEU 500 N -4.15 0.36 0.00 5.97 4.77 -0.66 -4.91 117.00 118.37 1gnl n LEU 500 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1gnl n LEU 500 Cb 0.26 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1gnl n LEU 500 CO 0.35 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1gnl n GLY 501 N 1.05 0.70 3.68 -0.72 0.00 -0.44 -4.99 105.19 104.47 1gnl n GLY 501 Ca 0.23 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1gnl n GLY 501 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gnl s VAL 502 N -2.00 4.43 0.41 1.61 1.01 -0.74 -4.78 120.40 120.33 1gnl s VAL 502 Ca 0.00 1.73 0.08 0.00 0.00 0.00 0.00 61.98 63.79 1gnl s VAL 502 Cb 0.00 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1gnl s VAL 502 CO 0.00 -0.02 0.24 -0.54 0.00 0.00 0.00 175.10 174.78 1gnl s LYS 503 N 2.29 2.34 -0.99 2.72 1.02 -1.26 -4.50 119.74 121.35 1gnl s LYS 503 Ca 0.53 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.81 1gnl s LYS 503 Cb -0.22 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1gnl s LYS 503 CO 0.20 -0.12 0.00 0.09 -0.92 0.00 0.00 175.35 174.60 1gnl n ASN 504 N -1.33 -4.29 -4.71 2.83 3.02 -0.28 -4.94 115.26 105.57 1gnl n ASN 504 Ca 0.00 0.23 -0.42 0.00 -0.03 0.00 0.00 54.58 54.36 1gnl n ASN 504 Cb 0.63 -2.61 -0.03 0.00 -0.61 0.00 0.00 39.78 37.16 1gnl n ASN 504 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1gnl s ILE 505 N -2.29 2.92 -0.27 2.41 1.01 -1.25 -4.61 121.20 119.12 1gnl s ILE 505 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 60.65 61.10 1gnl s ILE 505 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1gnl s ILE 505 CO 0.00 0.03 0.34 -1.00 0.00 0.00 0.00 174.94 174.31 1gnl s HIS 506 N 1.52 3.24 -0.08 3.97 3.76 -0.12 -1.22 115.29 126.37 1gnl s HIS 506 Ca 0.69 0.36 0.03 0.00 -0.15 0.00 0.00 55.06 56.00 1gnl s HIS 506 Cb -0.41 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 30.73 1gnl s HIS 506 CO 0.31 -0.21 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.65 1gnl s LEU 507 N 1.99 2.52 0.00 0.89 2.96 0.25 -0.95 118.68 126.34 1gnl s LEU 507 Ca 0.14 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1gnl s LEU 507 Cb -0.16 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1gnl s LEU 507 CO 0.10 0.25 0.29 0.61 -1.32 0.00 0.00 176.35 176.28 1gnl n GLY 508 N 2.94 1.57 0.11 7.98 0.00 -0.71 -4.12 105.19 112.96 1gnl n GLY 508 Ca -0.18 -1.08 0.12 0.00 0.00 0.00 0.00 46.02 44.88 1gnl n GLY 508 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gnl n PRO 509 N -0.20 0.20 -4.34 1.61 -0.04 -1.26 -1.34 135.00 129.64 1gnl n PRO 509 Ca -0.03 0.30 -0.17 0.00 -0.04 0.00 0.00 63.50 63.56 1gnl n PRO 509 Cb 0.21 -1.81 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 1gnl n PRO 509 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1gnl s THR 510 N -3.19 0.94 0.11 0.52 -4.23 -1.26 -4.72 115.64 103.80 1gnl s THR 510 Ca 0.08 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 1gnl s THR 510 Cb 0.11 -2.44 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 1gnl s THR 510 CO 0.48 -0.23 0.49 -0.76 -0.54 0.00 0.00 174.62 174.06 1gnl s LEU 511 N -3.32 4.37 0.35 4.79 1.43 -1.26 -4.96 118.68 120.08 1gnl s LEU 511 Ca 0.31 0.99 -0.26 0.00 -1.03 0.00 0.00 54.13 54.14 1gnl s LEU 511 Cb 0.06 -3.08 -0.12 0.00 0.03 0.00 0.00 46.19 43.08 1gnl s LEU 511 CO 0.10 0.16 1.04 -2.65 0.23 0.00 0.00 176.35 175.24 1gnl n PRO 512 N 1.01 1.46 0.26 1.29 -0.02 -1.26 -4.88 135.00 132.87 1gnl n PRO 512 Ca -0.07 0.52 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 1gnl n PRO 512 Cb 0.52 -1.99 0.64 0.00 -0.02 0.00 0.00 33.50 32.64 1gnl n PRO 512 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gnl h ALA 513 N 1.88 1.02 -0.10 3.55 0.00 -1.80 -3.02 119.26 120.79 1gnl h ALA 513 Ca -0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gnl h ALA 513 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1gnl h ALA 513 CO 0.59 0.09 0.00 1.97 0.00 0.00 0.00 179.25 181.90 1gnl n PHE 514 N -3.20 0.13 -3.22 0.00 1.16 -1.26 -4.72 117.46 106.35 1gnl n PHE 514 Ca 0.00 -0.07 -0.41 0.00 -1.87 0.00 0.00 57.45 55.10 1gnl n PHE 514 Cb 0.33 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.13 1gnl n PHE 514 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1gnl s LEU 515 N -1.47 4.29 0.75 5.98 1.43 -1.14 -4.51 118.68 124.01 1gnl s LEU 515 Ca 0.27 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1gnl s LEU 515 Cb 0.13 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.76 1gnl s LEU 515 CO 0.21 -0.48 1.08 -0.94 0.23 0.00 0.00 176.35 176.45 1gnl s SER 516 N 1.74 4.76 0.24 2.29 1.04 -1.26 -4.74 113.70 117.76 1gnl s SER 516 Ca 0.20 1.76 -0.06 0.00 0.48 0.00 0.00 55.95 58.33 1gnl s SER 516 Cb -0.15 -2.51 0.41 0.00 0.10 0.00 0.00 66.02 63.87 1gnl s SER 516 CO 0.13 -1.86 1.73 -0.65 0.98 0.00 0.00 173.24 173.56 1gnl h PRO 517 N -1.01 0.39 -0.21 4.02 0.11 -1.97 0.99 132.00 134.31 1gnl h PRO 517 Ca -0.44 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 1gnl h PRO 517 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1gnl h PRO 517 CO 0.53 0.26 -0.43 -0.91 -0.21 0.00 0.00 178.00 177.24 1gnl h ASN 518 N 0.40 0.55 -0.29 -2.05 -0.26 -1.98 -1.10 115.58 110.85 1gnl h ASN 518 Ca 0.39 -0.25 -0.12 0.00 -0.56 0.00 0.00 56.30 55.76 1gnl h ASN 518 Cb 0.58 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1gnl h ASN 518 CO -0.40 0.92 -0.28 0.58 -1.06 0.00 0.00 177.43 177.19 1gnl h VAL 519 N 0.42 1.30 -0.98 2.81 2.07 -1.77 -2.42 116.25 117.68 1gnl h VAL 519 Ca 0.03 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.14 1gnl h VAL 519 Cb 0.93 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 1gnl h VAL 519 CO 0.08 0.46 0.64 0.00 0.02 0.00 0.00 177.57 178.77 1gnl h ALA 520 N 0.71 1.35 -0.87 1.67 0.00 -0.70 -2.15 119.26 119.26 1gnl h ALA 520 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1gnl h ALA 520 Cb 0.84 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1gnl h ALA 520 CO 0.07 0.57 0.46 -0.22 0.00 0.00 0.00 179.25 180.14 1gnl h LYS 521 N 1.26 1.22 -0.60 0.00 1.63 -1.04 -0.10 116.57 118.94 1gnl h LYS 521 Ca 0.38 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1gnl h LYS 521 Cb -0.04 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.32 1gnl h LYS 521 CO -0.11 0.90 0.32 0.28 -3.45 0.00 0.00 179.45 177.40 1gnl h VAL 522 N 1.22 1.20 -0.67 2.00 2.07 -0.93 0.14 116.25 121.27 1gnl h VAL 522 Ca 0.30 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1gnl h VAL 522 Cb 0.05 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1gnl h VAL 522 CO -0.05 0.21 0.16 -0.07 0.02 0.00 0.00 177.57 177.84 1gnl h LEU 523 N 0.81 1.01 -0.04 2.57 3.38 -0.78 0.12 115.31 122.38 1gnl h LEU 523 Ca 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1gnl h LEU 523 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1gnl h LEU 523 CO -0.03 0.98 -0.01 0.58 0.09 0.00 0.00 178.44 180.04 1gnl h VAL 524 N 1.02 1.30 -0.37 1.22 2.07 -0.82 -0.89 116.25 119.77 1gnl h VAL 524 Ca 0.21 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 1gnl h VAL 524 Cb 0.36 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1gnl h VAL 524 CO 0.00 0.25 -0.23 -0.33 0.02 0.00 0.00 177.57 177.28 1gnl h GLU 525 N -0.28 0.81 0.00 1.57 5.08 -0.51 -0.35 114.58 120.89 1gnl h GLU 525 Ca 0.01 -0.37 -0.16 0.00 -1.00 0.00 0.00 59.36 57.84 1gnl h GLU 525 Cb 0.40 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1gnl h GLU 525 CO 0.00 1.00 -1.68 1.04 -1.00 0.00 0.00 179.01 178.38 1gnl n GLN 526 N -4.24 0.64 0.00 2.33 1.13 0.39 -4.56 117.38 113.07 1gnl n GLN 526 Ca -0.02 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1gnl n GLN 526 Cb 0.44 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1gnl n GLN 526 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1gnl n PHE 527 N -2.72 0.00 -4.04 1.08 3.72 -0.42 -5.02 117.46 110.07 1gnl n PHE 527 Ca -0.12 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.96 1gnl n PHE 527 Cb 0.82 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 1gnl n PHE 527 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1gnl n ASN 528 N -0.16 -3.84 -4.77 4.37 4.05 -0.14 -1.13 115.26 113.64 1gnl n ASN 528 Ca 0.00 -0.89 -0.40 0.00 0.45 0.00 0.00 54.58 53.74 1gnl n ASN 528 Cb 0.03 -3.38 -0.02 0.00 1.23 0.00 0.00 39.78 37.64 1gnl n ASN 528 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1gnl s ILE 529 N -3.34 2.92 0.29 -1.44 1.01 -1.09 -3.42 121.20 116.13 1gnl s ILE 529 Ca 0.64 0.91 0.05 0.00 0.00 0.00 0.00 60.65 62.25 1gnl s ILE 529 Cb -0.34 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1gnl s ILE 529 CO 0.87 0.20 0.23 -0.83 0.00 0.00 0.00 174.94 175.41 1gnl s GLY 530 N -0.66 2.06 0.00 6.18 0.00 -0.35 -4.52 107.32 110.03 1gnl s GLY 530 Ca 0.49 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1gnl s GLY 530 CO 0.49 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.74 1gnl n GLY 531 N -0.52 3.40 3.82 0.20 0.00 -1.26 -0.58 105.19 110.25 1gnl n GLY 531 Ca 0.06 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.69 1gnl n GLY 531 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gnl s ILE 532 N -0.08 4.28 0.00 -0.61 -4.36 -1.26 -4.71 121.20 114.46 1gnl s ILE 532 Ca 0.00 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1gnl s ILE 532 Cb 0.00 -3.35 0.00 0.00 1.25 0.00 0.00 42.46 40.36 1gnl s ILE 532 CO 0.00 -0.32 0.00 0.35 0.24 0.00 0.00 174.94 175.21 1gnl n THR 533 N -1.20 0.00 -3.11 8.37 -2.24 -1.26 -5.07 114.28 109.77 1gnl n THR 533 Ca -0.07 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 1gnl n THR 533 Cb 0.58 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1gnl n THR 533 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1gnl s SER 534 N 1.00 6.47 0.19 3.42 1.04 -1.26 -4.97 113.70 119.60 1gnl s SER 534 Ca 0.00 0.90 -0.10 0.00 0.48 0.00 0.00 55.95 57.23 1gnl s SER 534 Cb 0.00 -2.22 0.11 0.00 0.10 0.00 0.00 66.02 64.01 1gnl s SER 534 CO 0.00 -0.29 1.77 1.55 0.98 0.00 0.00 173.24 177.24 1gnl h PRO 535 N 1.46 0.99 -0.43 4.02 0.13 -1.96 -1.40 132.00 134.82 1gnl h PRO 535 Ca -0.47 -0.16 -0.09 0.00 -0.87 0.00 0.00 66.00 64.40 1gnl h PRO 535 Cb 1.19 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1gnl h PRO 535 CO 0.65 0.80 -0.11 -0.56 -0.23 0.00 0.00 178.00 178.55 1gnl h GLN 536 N 0.95 0.77 -0.30 0.86 -0.00 -1.94 -0.06 115.11 115.39 1gnl h GLN 536 Ca 0.23 -0.25 -0.08 0.00 -0.00 0.00 0.00 58.65 58.55 1gnl h GLN 536 Cb 0.15 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.56 1gnl h GLN 536 CO -0.03 0.85 -0.13 -0.44 -0.00 0.00 0.00 178.83 179.09 1gnl h ASP 537 N 0.70 0.64 0.34 0.06 5.19 -1.91 -3.14 116.42 118.30 1gnl h ASP 537 Ca 0.12 -0.40 -0.12 0.00 -0.62 0.00 0.00 57.03 56.01 1gnl h ASP 537 Cb 0.58 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1gnl h ASP 537 CO 0.04 0.89 -0.49 0.44 -3.12 0.00 0.00 179.24 177.00 1gnl h ASP 538 N 0.38 0.19 0.01 6.45 3.32 -1.04 0.63 116.42 126.36 1gnl h ASP 538 Ca 0.07 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1gnl h ASP 538 Cb 0.64 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1gnl h ASP 538 CO 0.04 0.66 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.14 1gnl h LEU 539 N 0.15 0.00 0.00 1.55 3.38 -0.99 0.50 115.31 119.89 1gnl h LEU 539 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1gnl h LEU 539 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1gnl h LEU 539 CO 0.07 0.01 -0.24 0.50 0.09 0.00 0.00 178.44 178.88 1gnl h LYS 540 N 0.00 0.00 -0.64 1.13 3.64 -1.38 -3.40 116.57 115.91 1gnl h LYS 540 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1gnl h LYS 540 Cb 0.02 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1gnl h LYS 540 CO 0.00 0.30 0.18 0.00 -2.27 0.00 0.00 179.45 177.67 1gnl h ALA 541 N -0.75 1.11 0.00 5.00 0.00 -0.69 -2.78 119.26 121.16 1gnl h ALA 541 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1gnl h ALA 541 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gnl h ALA 541 CO -0.02 0.60 0.00 1.19 0.00 0.00 0.00 179.25 181.02 1gnl n PHE 542 N -4.26 0.27 0.36 0.00 3.01 0.15 -5.07 117.46 111.93 1gnl n PHE 542 Ca 0.05 0.10 0.04 0.00 1.01 0.00 0.00 57.45 58.66 1gnl n PHE 542 Cb 0.23 -0.67 0.04 0.00 -0.01 0.00 0.00 39.48 39.06 1gnl n PHE 542 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96