#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnf s ILE 2 N 0.00 1.26 -0.15 0.53 -4.36 -0.16 -4.96 121.20 113.37 1nnf s ILE 2 Ca 0.00 -2.06 -0.02 0.00 -0.26 0.00 0.00 60.65 58.31 1nnf s ILE 2 Cb 0.00 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.84 1nnf s ILE 2 CO 0.00 -0.71 -0.09 -0.89 0.24 0.00 0.00 174.94 173.50 1nnf s THR 3 N -3.20 3.38 -0.21 8.37 2.01 -1.26 -0.94 115.64 123.79 1nnf s THR 3 Ca 0.17 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1nnf s THR 3 Cb 0.02 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 70.10 1nnf s THR 3 CO 0.02 0.50 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 1nnf s VAL 4 N 0.54 2.20 -0.06 3.82 1.01 0.41 -0.55 120.40 127.77 1nnf s VAL 4 Ca -0.06 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 1nnf s VAL 4 Cb -0.15 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1nnf s VAL 4 CO 0.03 0.35 1.19 -0.31 0.00 0.00 0.00 175.10 176.36 1nnf s TYR 5 N 1.24 3.20 -0.25 5.22 1.51 -0.03 -0.71 117.35 127.54 1nnf s TYR 5 Ca 0.01 1.23 0.02 0.00 -1.01 0.00 0.00 57.07 57.32 1nnf s TYR 5 Cb -0.15 -3.41 0.06 0.00 -0.11 0.00 0.00 41.96 38.35 1nnf s TYR 5 CO -0.10 -1.25 -0.08 1.21 -1.11 0.00 0.00 175.55 174.22 1nnf s ASN 6 N 1.46 4.11 0.00 2.29 2.47 0.43 -0.84 114.94 124.86 1nnf s ASN 6 Ca 0.55 -1.27 0.24 0.00 0.42 0.00 0.00 52.86 52.80 1nnf s ASN 6 Cb -0.24 -1.35 0.29 0.00 -1.45 0.00 0.00 41.25 38.50 1nnf s ASN 6 CO 0.21 -0.21 1.26 0.61 -3.72 0.00 0.00 177.10 175.26 1nnf n GLY 7 N 4.56 -0.72 3.86 1.21 0.00 0.42 -1.11 105.19 113.41 1nnf n GLY 7 Ca -0.13 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1nnf n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nnf s GLN 8 N -2.74 3.63 0.19 1.61 2.00 -1.24 -4.32 119.66 118.80 1nnf s GLN 8 Ca 0.16 0.84 -0.32 0.00 -2.00 0.00 0.00 55.36 54.04 1nnf s GLN 8 Cb 0.18 -2.09 -0.15 0.00 0.80 0.00 0.00 33.01 31.75 1nnf s GLN 8 CO 0.66 -0.54 1.16 0.94 -0.50 0.00 0.00 175.29 177.01 1nnf n GLN 9 N -2.42 1.25 -0.02 1.67 7.27 -1.26 -4.79 117.38 119.07 1nnf n GLN 9 Ca 0.06 0.44 0.03 0.00 0.07 0.00 0.00 57.00 57.61 1nnf n GLN 9 Cb 0.54 -1.93 0.39 0.00 2.41 0.00 0.00 30.24 31.65 1nnf n GLN 9 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 1nnf h LYS 10 N 3.24 0.58 -0.42 3.69 5.09 -1.96 -2.38 116.57 124.41 1nnf h LYS 10 Ca -0.43 -0.04 -0.04 0.00 0.09 0.00 0.00 60.65 60.23 1nnf h LYS 10 Cb 1.34 -0.13 -0.02 0.00 0.10 0.00 0.00 32.23 33.52 1nnf h LYS 10 CO 0.69 0.41 0.12 1.05 -2.09 0.00 0.00 179.45 179.63 1nnf h GLU 11 N 0.59 0.66 -0.30 0.07 4.11 -1.96 -0.52 114.58 117.24 1nnf h GLU 11 Ca 0.16 -0.15 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 1nnf h GLU 11 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1nnf h GLU 11 CO -0.03 0.67 0.08 0.00 0.07 0.00 0.00 179.01 179.80 1nnf h ALA 12 N 0.97 0.40 -0.71 1.06 0.00 -1.72 -2.37 119.26 116.88 1nnf h ALA 12 Ca 0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1nnf h ALA 12 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1nnf h ALA 12 CO -0.00 0.05 0.22 0.00 0.00 0.00 0.00 179.25 179.52 1nnf h ALA 13 N 0.91 0.93 -0.76 0.00 0.00 -1.30 -2.31 119.26 116.73 1nnf h ALA 13 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1nnf h ALA 13 Cb 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1nnf h ALA 13 CO -0.00 0.61 0.33 1.15 0.00 0.00 0.00 179.25 181.34 1nnf h THR 14 N 1.05 1.25 -0.15 0.00 2.02 -1.03 -1.59 112.91 114.45 1nnf h THR 14 Ca 0.23 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1nnf h THR 14 Cb 0.30 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1nnf h THR 14 CO -0.01 0.31 0.06 0.00 0.37 0.00 0.00 175.52 176.25 1nnf h ALA 15 N 1.17 0.20 -0.18 6.16 0.00 -1.02 -1.72 119.26 123.86 1nnf h ALA 15 Ca 0.26 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1nnf h ALA 15 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nnf h ALA 15 CO -0.03 -0.22 -0.46 -0.39 0.00 0.00 0.00 179.25 178.15 1nnf h VAL 16 N 0.09 1.32 -0.60 0.00 -1.51 -1.35 -2.21 116.25 111.99 1nnf h VAL 16 Ca 0.05 -1.67 -0.04 0.00 -1.23 0.00 0.00 66.70 63.81 1nnf h VAL 16 Cb 0.17 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 30.99 1nnf h VAL 16 CO -0.00 0.51 0.20 0.00 -1.23 0.00 0.00 177.57 177.05 1nnf h ALA 17 N 1.13 1.23 -0.21 5.19 0.00 -1.17 -1.31 119.26 124.12 1nnf h ALA 17 Ca 0.02 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1nnf h ALA 17 Cb 0.96 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1nnf h ALA 17 CO 0.08 0.55 -0.51 0.87 0.00 0.00 0.00 179.25 180.24 1nnf h LYS 18 N 0.87 0.72 -0.51 0.00 1.57 -1.04 -1.32 116.57 116.86 1nnf h LYS 18 Ca 0.20 -0.49 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1nnf h LYS 18 Cb 0.23 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1nnf h LYS 18 CO -0.01 1.11 0.15 0.00 -0.57 0.00 0.00 179.45 180.14 1nnf h ALA 19 N 0.60 1.33 0.03 3.86 0.00 -1.29 -2.33 119.26 121.45 1nnf h ALA 19 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nnf h ALA 19 Cb 1.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nnf h ALA 19 CO 0.11 0.49 -0.01 0.35 0.00 0.00 0.00 179.25 180.18 1nnf h PHE 20 N 0.73 -0.04 0.00 0.00 3.57 -1.15 -1.34 116.94 118.71 1nnf h PHE 20 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1nnf h PHE 20 Cb 0.22 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1nnf h PHE 20 CO 0.01 0.23 0.14 0.93 -2.23 0.00 0.00 178.31 177.40 1nnf h GLU 21 N -0.31 0.00 0.01 1.11 5.08 -0.95 -1.71 114.58 117.80 1nnf h GLU 21 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 1nnf h GLU 21 Cb 0.29 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1nnf h GLU 21 CO 0.01 0.00 -2.42 0.94 -1.00 0.00 0.00 179.01 176.54 1nnf n GLN 22 N -2.56 0.66 0.16 2.33 0.00 -0.90 -1.69 117.38 115.38 1nnf n GLN 22 Ca -0.02 0.12 0.02 0.00 -0.00 0.00 0.00 57.00 57.12 1nnf n GLN 22 Cb 0.18 -1.54 0.22 0.00 0.00 0.00 0.00 30.24 29.11 1nnf n GLN 22 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1nnf h GLU 23 N 0.00 0.00 0.00 3.69 4.57 -0.90 -3.39 114.58 118.55 1nnf h GLU 23 Ca -0.56 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1nnf h GLU 23 Cb 1.99 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.58 1nnf h GLU 23 CO -0.05 0.52 -0.72 0.25 -1.18 0.00 0.00 179.01 177.83 1nnf n THR 24 N -3.64 0.00 -0.98 0.32 -2.24 -0.68 -5.03 114.28 102.03 1nnf n THR 24 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1nnf n THR 24 Cb 0.59 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1nnf n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nnf n GLY 25 N 2.02 0.81 3.66 3.38 0.00 -0.68 -5.01 105.19 109.36 1nnf n GLY 25 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1nnf n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nnf s ILE 26 N -3.29 5.00 0.36 -0.61 1.01 -1.26 -4.99 121.20 117.42 1nnf s ILE 26 Ca 0.00 1.23 -0.25 0.00 0.00 0.00 0.00 60.65 61.63 1nnf s ILE 26 Cb 0.00 -3.97 -0.10 0.00 0.01 0.00 0.00 42.46 38.41 1nnf s ILE 26 CO 0.00 0.10 1.00 -1.59 0.00 0.00 0.00 174.94 174.44 1nnf s LYS 27 N 1.98 4.40 -0.11 2.79 0.00 -1.26 -3.83 119.74 123.71 1nnf s LYS 27 Ca 0.30 1.42 0.03 0.00 0.00 0.00 0.00 55.97 57.72 1nnf s LYS 27 Cb -0.16 -2.69 -0.00 0.00 0.00 0.00 0.00 37.83 34.98 1nnf s LYS 27 CO 0.10 0.09 -0.21 0.08 0.00 0.00 0.00 175.35 175.41 1nnf s VAL 28 N -1.63 2.28 -0.25 1.79 1.01 -1.26 -0.98 120.40 121.35 1nnf s VAL 28 Ca 0.53 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1nnf s VAL 28 Cb -0.20 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1nnf s VAL 28 CO 0.26 0.55 0.07 -0.89 0.00 0.00 0.00 175.10 175.09 1nnf s THR 29 N 0.37 4.32 -0.14 3.92 2.01 -0.12 -4.98 115.64 121.02 1nnf s THR 29 Ca -0.17 -0.17 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 1nnf s THR 29 Cb -0.17 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1nnf s THR 29 CO 0.08 0.34 0.43 -0.76 -0.69 0.00 0.00 174.62 174.02 1nnf s LEU 30 N 1.56 4.25 -0.35 4.42 1.43 -1.26 -0.44 118.68 128.29 1nnf s LEU 30 Ca 0.06 0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 53.86 1nnf s LEU 30 Cb -0.15 -2.61 0.09 0.00 0.03 0.00 0.00 46.19 43.55 1nnf s LEU 30 CO 0.04 -0.00 0.08 0.20 0.23 0.00 0.00 176.35 176.90 1nnf s ASN 31 N 0.68 4.96 0.10 2.29 0.01 0.11 -4.95 114.94 118.13 1nnf s ASN 31 Ca 0.23 -1.81 -0.03 0.00 -0.71 0.00 0.00 52.86 50.55 1nnf s ASN 31 Cb -0.15 -1.72 -0.05 0.00 0.41 0.00 0.00 41.25 39.74 1nnf s ASN 31 CO 0.09 -0.39 0.30 -0.44 -1.51 0.00 0.00 177.10 175.14 1nnf s SER 32 N 1.36 6.44 -0.01 -1.22 0.01 -1.26 -0.43 113.70 118.59 1nnf s SER 32 Ca 0.04 0.45 -0.08 0.00 1.31 0.00 0.00 55.95 57.68 1nnf s SER 32 Cb -0.21 -2.04 0.02 0.00 0.21 0.00 0.00 66.02 64.01 1nnf s SER 32 CO -0.04 0.12 0.34 0.61 0.41 0.00 0.00 173.24 174.67 1nnf n GLY 33 N 0.25 0.51 3.74 3.44 0.00 -0.27 -4.91 105.19 107.96 1nnf n GLY 33 Ca -0.04 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1nnf n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nnf s LYS 34 N -2.00 4.63 0.25 1.61 1.02 -1.26 -3.92 119.74 120.06 1nnf s LYS 34 Ca 0.08 1.70 -0.04 0.00 0.02 0.00 0.00 55.97 57.73 1nnf s LYS 34 Cb -0.00 -3.26 0.36 0.00 -0.52 0.00 0.00 37.83 34.40 1nnf s LYS 34 CO -0.00 0.14 1.88 0.77 -0.92 0.00 0.00 175.35 177.22 1nnf h SER 35 N 4.80 0.99 -0.69 2.83 0.02 -1.90 0.19 113.55 119.81 1nnf h SER 35 Ca -0.45 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 1nnf h SER 35 Cb 1.21 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 1nnf h SER 35 CO 0.71 0.65 0.16 -0.33 -1.14 0.00 0.00 176.83 176.88 1nnf h GLU 36 N 1.14 1.12 -0.33 3.45 5.08 -1.96 0.32 114.58 123.39 1nnf h GLU 36 Ca 0.40 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1nnf h GLU 36 Cb 0.11 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1nnf h GLU 36 CO -0.16 0.99 0.04 0.37 -1.00 0.00 0.00 179.01 179.26 1nnf h GLN 37 N 1.06 0.56 -0.80 2.33 -0.00 -1.72 -2.05 115.11 114.49 1nnf h GLN 37 Ca 0.22 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.65 58.67 1nnf h GLN 37 Cb 0.38 -0.06 -0.04 0.00 0.00 0.00 0.00 27.48 27.76 1nnf h GLN 37 CO 0.00 0.65 0.33 -0.07 0.00 0.00 0.00 178.83 179.75 1nnf h LEU 38 N 0.39 1.10 -0.60 -2.39 3.38 -0.76 0.03 115.31 116.46 1nnf h LEU 38 Ca 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1nnf h LEU 38 Cb 0.37 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1nnf h LEU 38 CO 0.01 0.97 0.21 0.00 0.09 0.00 0.00 178.44 179.72 1nnf h ALA 39 N 1.19 0.78 -0.86 1.53 0.00 -0.87 0.16 119.26 121.18 1nnf h ALA 39 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nnf h ALA 39 Cb 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1nnf h ALA 39 CO -0.02 0.42 0.56 0.78 0.00 0.00 0.00 179.25 180.98 1nnf h GLY 40 N 0.84 1.21 1.06 0.00 0.00 -0.91 -1.50 103.07 103.78 1nnf h GLY 40 Ca 0.20 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1nnf h GLY 40 CO -0.01 0.45 -0.04 -1.61 0.00 0.00 0.00 176.54 175.33 1nnf h GLN 41 N 1.17 0.98 -0.54 4.80 4.15 -0.49 -1.18 115.11 124.00 1nnf h GLN 41 Ca 0.31 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1nnf h GLN 41 Cb -0.12 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.47 1nnf h GLN 41 CO -0.07 1.00 0.16 -0.07 -1.93 0.00 0.00 178.83 177.93 1nnf h LEU 42 N 0.86 0.75 -0.31 -2.39 3.38 -0.66 0.59 115.31 117.53 1nnf h LEU 42 Ca 0.15 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1nnf h LEU 42 Cb 0.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1nnf h LEU 42 CO 0.04 0.71 -0.25 0.11 0.09 0.00 0.00 178.44 179.14 1nnf h LYS 43 N 0.79 0.72 -0.49 1.13 1.57 -0.99 -0.96 116.57 118.34 1nnf h LYS 43 Ca 0.18 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1nnf h LYS 43 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1nnf h LYS 43 CO -0.01 0.98 -0.11 1.49 -0.57 0.00 0.00 179.45 181.23 1nnf h GLU 44 N 0.48 0.93 -0.19 3.15 4.81 -0.91 -2.95 114.58 119.90 1nnf h GLU 44 Ca 0.06 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 58.81 1nnf h GLU 44 Cb 0.82 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1nnf h GLU 44 CO 0.07 1.01 -0.42 0.93 -0.73 0.00 0.00 179.01 179.87 1nnf h GLU 45 N 0.79 0.44 0.00 1.92 5.08 -0.87 -3.47 114.58 118.47 1nnf h GLU 45 Ca 0.12 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1nnf h GLU 45 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1nnf h GLU 45 CO 0.05 0.79 0.00 0.41 -1.00 0.00 0.00 179.01 179.26 1nnf n GLY 46 N -0.04 3.39 0.00 -3.84 0.00 -0.37 -1.33 105.19 103.01 1nnf n GLY 46 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1nnf n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nnf n ASP 47 N 4.52 0.00 -0.99 1.61 3.85 -1.26 -2.36 116.55 121.92 1nnf n ASP 47 Ca 0.00 0.04 0.09 0.00 -0.71 0.00 0.00 54.79 54.21 1nnf n ASP 47 Cb 0.00 -0.28 0.21 0.00 -1.35 0.00 0.00 41.12 39.70 1nnf n ASP 47 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1nnf n LYS 48 N -1.28 2.48 -2.02 0.11 4.76 -0.44 -4.93 118.16 116.84 1nnf n LYS 48 Ca 0.08 -2.22 -0.40 0.00 -2.87 0.00 0.00 58.31 52.90 1nnf n LYS 48 Cb 0.13 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 31.88 1nnf n LYS 48 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1nnf s THR 49 N -1.15 2.53 -1.74 -0.18 -1.32 -1.00 -4.90 115.64 107.89 1nnf s THR 49 Ca 0.35 0.51 0.29 0.00 -1.21 0.00 0.00 61.69 61.63 1nnf s THR 49 Cb 0.19 -3.32 0.50 0.00 -1.51 0.00 0.00 72.50 68.37 1nnf s THR 49 CO 0.26 0.11 1.89 -0.81 -2.21 0.00 0.00 174.62 173.85 1nnf n PRO 50 N 0.48 0.79 -2.35 7.08 -0.04 -1.26 -4.80 135.00 134.89 1nnf n PRO 50 Ca 0.02 -0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 62.80 1nnf n PRO 50 Cb 0.42 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 1nnf n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nnf s ALA 51 N -2.40 3.45 -0.16 0.55 0.00 -1.26 -4.62 121.76 117.32 1nnf s ALA 51 Ca 0.31 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 1nnf s ALA 51 Cb 0.20 -3.42 -0.23 0.00 0.00 0.00 0.00 23.12 19.67 1nnf s ALA 51 CO 0.45 -0.40 0.19 -0.25 0.00 0.00 0.00 175.76 175.76 1nnf n ASP 52 N 2.50 2.08 -4.03 0.00 8.00 0.28 -4.43 116.55 120.95 1nnf n ASP 52 Ca 0.05 0.13 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 1nnf n ASP 52 Cb 0.44 -0.75 -0.13 0.00 -0.02 0.00 0.00 41.12 40.67 1nnf n ASP 52 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nnf s VAL 53 N -2.54 0.52 -0.23 2.53 1.01 -1.05 -1.38 120.40 119.27 1nnf s VAL 53 Ca -0.26 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1nnf s VAL 53 Cb 0.07 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1nnf s VAL 53 CO 0.71 -0.18 -0.07 0.12 0.00 0.00 0.00 175.10 175.68 1nnf s PHE 54 N -0.89 2.99 -0.20 5.22 5.36 0.15 -0.85 117.98 129.75 1nnf s PHE 54 Ca -0.05 -1.34 -0.04 0.00 -0.96 0.00 0.00 56.93 54.54 1nnf s PHE 54 Cb -0.07 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.53 1nnf s PHE 54 CO 0.00 -0.67 -0.03 -0.47 -1.46 0.00 0.00 175.22 172.59 1nnf s TYR 55 N 1.38 2.98 0.08 10.12 5.04 -0.02 -1.22 117.35 135.70 1nnf s TYR 55 Ca 0.03 -0.70 0.03 0.00 -2.44 0.00 0.00 57.07 53.98 1nnf s TYR 55 Cb -0.15 -2.07 -0.03 0.00 0.35 0.00 0.00 41.96 40.05 1nnf s TYR 55 CO -0.05 -0.39 -0.09 -0.08 -1.34 0.00 0.00 175.55 173.60 1nnf s THR 56 N 1.18 0.79 -1.17 4.34 -1.32 -0.23 -0.43 115.64 118.79 1nnf s THR 56 Ca 0.02 -1.51 0.29 0.00 -1.21 0.00 0.00 61.69 59.29 1nnf s THR 56 Cb -0.14 -1.18 0.32 0.00 -1.51 0.00 0.00 72.50 69.98 1nnf s THR 56 CO -0.00 -0.54 1.92 -1.84 -2.21 0.00 0.00 174.62 171.94 1nnf n GLU 57 N 0.76 0.18 -3.49 7.08 0.00 -1.26 -0.97 120.64 122.94 1nnf n GLU 57 Ca -0.18 -0.02 -0.23 0.00 0.00 0.00 0.00 57.16 56.73 1nnf n GLU 57 Cb 0.57 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.38 1nnf n GLU 57 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1nnf s GLN 58 N -2.84 0.23 0.64 3.44 2.00 -1.19 -3.17 119.66 118.77 1nnf s GLN 58 Ca 0.19 -0.27 0.41 0.00 -2.00 0.00 0.00 55.36 53.70 1nnf s GLN 58 Cb 0.19 -1.04 2.23 0.00 0.80 0.00 0.00 33.01 35.19 1nnf s GLN 58 CO 0.52 -0.95 2.31 1.79 -0.50 0.00 0.00 175.29 178.46 1nnf h THR 59 N 6.35 0.09 -0.35 -0.34 1.35 -0.98 -0.78 112.91 118.24 1nnf h THR 59 Ca -0.17 -0.07 0.10 0.00 -0.55 0.00 0.00 66.41 65.72 1nnf h THR 59 Cb 1.06 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1nnf h THR 59 CO 0.37 0.01 0.28 0.00 -0.25 0.00 0.00 175.52 175.93 1nnf h ALA 60 N 1.99 2.23 0.00 6.62 0.00 -1.88 -1.13 119.26 127.10 1nnf h ALA 60 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nnf h ALA 60 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1nnf h ALA 60 CO 0.00 -0.46 0.00 0.25 0.00 0.00 0.00 179.25 179.04 1nnf n THR 61 N -4.23 0.67 0.18 0.00 -2.24 -0.30 -2.45 114.28 105.92 1nnf n THR 61 Ca 0.06 0.17 0.07 0.00 -2.27 0.00 0.00 64.05 62.07 1nnf n THR 61 Cb 0.45 -0.84 0.19 0.00 -2.10 0.00 0.00 70.33 68.03 1nnf n THR 61 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1nnf h PHE 62 N 0.00 0.00 -0.40 4.78 0.04 -1.39 -3.38 116.94 116.60 1nnf h PHE 62 Ca 0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1nnf h PHE 62 Cb 0.31 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 1nnf h PHE 62 CO 0.00 0.30 0.16 0.00 -0.60 0.00 0.00 178.31 178.17 1nnf h ALA 63 N 1.70 0.48 -0.85 2.45 0.00 -1.62 0.50 119.26 121.91 1nnf h ALA 63 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1nnf h ALA 63 Cb 1.11 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1nnf h ALA 63 CO 0.04 -0.22 0.51 -0.44 0.00 0.00 0.00 179.25 179.13 1nnf h ASP 64 N 0.33 1.03 -0.23 0.00 3.45 -1.80 -0.19 116.42 119.01 1nnf h ASP 64 Ca 0.18 -0.07 -0.13 0.00 0.43 0.00 0.00 57.03 57.44 1nnf h ASP 64 Cb 0.14 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.65 1nnf h ASP 64 CO -0.16 0.80 -0.37 -0.07 -1.57 0.00 0.00 179.24 177.87 1nnf h LEU 65 N 1.18 0.72 -0.76 1.55 3.38 -1.58 -1.89 115.31 117.91 1nnf h LEU 65 Ca 0.31 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1nnf h LEU 65 Cb -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1nnf h LEU 65 CO -0.06 1.11 0.38 -1.28 0.09 0.00 0.00 178.44 178.68 1nnf h SER 66 N 0.36 0.97 0.52 -0.43 0.87 -0.63 -0.88 113.55 114.33 1nnf h SER 66 Ca 0.02 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1nnf h SER 66 Cb 0.96 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1nnf h SER 66 CO 0.08 0.82 -0.24 -0.33 -0.53 0.00 0.00 176.83 176.63 1nnf h GLU 67 N 1.06 0.00 -0.12 2.24 5.08 -0.92 -0.66 114.58 121.25 1nnf h GLU 67 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1nnf h GLU 67 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1nnf h GLU 67 CO -0.04 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 1nnf n ALA 68 N -2.33 2.54 -2.09 3.43 0.00 -0.72 -4.94 120.51 116.41 1nnf n ALA 68 Ca -0.01 -0.47 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 1nnf n ALA 68 Cb 0.35 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1nnf n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnf n GLY 69 N 1.11 0.09 0.57 0.00 0.00 -0.25 -4.93 105.19 101.78 1nnf n GLY 69 Ca 0.17 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1nnf n GLY 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nnf n LEU 70 N -1.46 2.11 -4.55 0.99 4.77 -0.37 -4.87 117.00 113.62 1nnf n LEU 70 Ca -0.12 -0.75 -0.34 0.00 -0.03 0.00 0.00 56.01 54.78 1nnf n LEU 70 Cb 0.56 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.52 1nnf n LEU 70 CO 0.15 0.38 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.43 1nnf s LEU 71 N -2.36 3.07 0.46 2.23 1.43 -1.26 -0.54 118.68 121.71 1nnf s LEU 71 Ca 0.22 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 1nnf s LEU 71 Cb 0.19 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.66 1nnf s LEU 71 CO 0.50 0.35 0.92 0.00 0.23 0.00 0.00 176.35 178.35 1nnf s ALA 72 N -0.76 3.13 0.63 4.21 0.00 0.22 -4.55 121.76 124.64 1nnf s ALA 72 Ca 0.12 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 1nnf s ALA 72 Cb -0.11 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1nnf s ALA 72 CO 0.01 -0.07 1.19 -1.25 0.00 0.00 0.00 175.76 175.65 1nnf s PRO 73 N -3.74 2.75 0.13 0.00 0.05 -1.26 -4.41 135.00 128.53 1nnf s PRO 73 Ca 0.58 1.75 0.06 0.00 0.05 0.00 0.00 61.00 63.44 1nnf s PRO 73 Cb -0.10 -1.91 -0.04 0.00 0.05 0.00 0.00 34.50 32.50 1nnf s PRO 73 CO 0.26 -1.36 0.02 0.42 0.05 0.00 0.00 177.00 176.39 1nnf s ILE 74 N -1.79 3.97 0.23 0.56 1.01 0.38 -4.95 121.20 120.61 1nnf s ILE 74 Ca 0.75 -1.18 -0.32 0.00 0.00 0.00 0.00 60.65 59.91 1nnf s ILE 74 Cb -0.29 -2.95 -0.13 0.00 0.01 0.00 0.00 42.46 39.10 1nnf s ILE 74 CO 0.37 -0.00 1.50 -0.24 0.00 0.00 0.00 174.94 176.57 1nnf n SER 75 N 0.16 3.12 -0.33 3.58 2.88 -1.26 -4.86 113.62 116.91 1nnf n SER 75 Ca -0.10 1.12 0.13 0.00 -1.33 0.00 0.00 58.87 58.70 1nnf n SER 75 Cb 0.54 -1.47 0.32 0.00 -0.75 0.00 0.00 64.21 62.85 1nnf n SER 75 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1nnf h GLU 76 N 4.90 0.57 -0.32 -1.46 4.57 -1.98 -1.08 114.58 119.78 1nnf h GLU 76 Ca -0.45 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 57.60 1nnf h GLU 76 Cb 1.26 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1nnf h GLU 76 CO 0.81 0.38 -0.17 1.96 -1.18 0.00 0.00 179.01 180.80 1nnf h GLN 77 N 0.58 0.58 -0.11 1.92 1.08 -2.00 -1.76 115.11 115.40 1nnf h GLN 77 Ca 0.57 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.53 1nnf h GLN 77 Cb 1.00 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1nnf h GLN 77 CO -0.45 0.73 -0.13 1.15 -0.95 0.00 0.00 178.83 179.18 1nnf h THR 78 N 0.52 1.36 -0.91 -0.54 2.02 -1.66 -3.17 112.91 110.53 1nnf h THR 78 Ca 0.09 -1.31 0.10 0.00 0.77 0.00 0.00 66.41 66.05 1nnf h THR 78 Cb 0.60 1.97 -0.07 0.00 -1.74 0.00 0.00 68.15 68.91 1nnf h THR 78 CO 0.04 0.38 0.59 0.40 0.37 0.00 0.00 175.52 177.29 1nnf h ILE 79 N -0.12 0.96 0.00 3.11 2.04 -1.06 -1.45 117.51 120.99 1nnf h ILE 79 Ca 0.02 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1nnf h ILE 79 Cb 0.67 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1nnf h ILE 79 CO 0.03 0.16 -0.09 1.56 0.00 0.00 0.00 178.15 179.82 1nnf h GLN 80 N 0.90 0.00 0.00 2.37 1.08 -1.30 -2.93 115.11 115.23 1nnf h GLN 80 Ca 0.43 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.62 1nnf h GLN 80 Cb 0.43 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1nnf h GLN 80 CO -0.19 0.09 -0.05 1.96 -0.95 0.00 0.00 178.83 179.69 1nnf h GLN 81 N 0.00 0.00 -0.09 1.46 1.08 -1.25 -2.82 115.11 113.49 1nnf h GLN 81 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1nnf h GLN 81 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1nnf h GLN 81 CO 0.01 0.05 0.00 0.25 -0.95 0.00 0.00 178.83 178.19 1nnf n THR 82 N -4.26 1.13 -1.51 -0.54 -2.24 -1.12 -4.16 114.28 101.58 1nnf n THR 82 Ca -0.03 -1.16 -0.33 0.00 -2.27 0.00 0.00 64.05 60.27 1nnf n THR 82 Cb 0.14 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 1nnf n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nnf n ALA 83 N -0.36 6.93 -1.50 6.98 0.00 -1.06 -4.78 120.51 126.73 1nnf n ALA 83 Ca 0.05 -3.34 -0.34 0.00 0.00 0.00 0.00 53.44 49.81 1nnf n ALA 83 Cb 0.35 -2.79 0.06 0.00 0.00 0.00 0.00 19.45 17.07 1nnf n ALA 83 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1nnf s GLN 84 N 0.21 2.63 0.22 0.00 -0.21 -1.26 -4.91 119.66 116.34 1nnf s GLN 84 Ca 0.62 1.56 -0.32 0.00 0.02 0.00 0.00 55.36 57.25 1nnf s GLN 84 Cb 0.24 -1.91 -0.13 0.00 1.00 0.00 0.00 33.01 32.20 1nnf s GLN 84 CO -0.09 -1.41 1.53 1.63 -2.12 0.00 0.00 175.29 174.83 1nnf n LYS 85 N -2.37 2.26 0.00 2.91 5.02 -1.26 -1.48 118.16 123.24 1nnf n LYS 85 Ca 0.12 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.22 1nnf n LYS 85 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1nnf n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nnf n GLY 86 N 2.74 3.26 3.71 0.72 0.00 -1.26 -4.96 105.19 109.40 1nnf n GLY 86 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1nnf n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nnf s VAL 87 N -2.94 4.50 0.34 1.61 1.01 -0.55 -4.88 120.40 119.50 1nnf s VAL 87 Ca 0.00 1.80 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 1nnf s VAL 87 Cb 0.00 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.12 1nnf s VAL 87 CO 0.00 0.11 1.48 -2.84 0.00 0.00 0.00 175.10 173.84 1nnf s PRO 88 N 1.27 4.17 -0.04 2.72 0.02 -1.26 -4.88 135.00 136.99 1nnf s PRO 88 Ca 0.54 2.49 0.05 0.00 0.02 0.00 0.00 61.00 64.11 1nnf s PRO 88 Cb -0.24 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.25 1nnf s PRO 88 CO 0.27 -0.49 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.75 1nnf s LEU 89 N -1.55 2.45 -0.06 -5.54 1.43 -1.26 -4.44 118.68 109.71 1nnf s LEU 89 Ca 0.55 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 1nnf s LEU 89 Cb -0.45 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1nnf s LEU 89 CO 0.56 0.32 1.52 0.00 0.23 0.00 0.00 176.35 178.99 1nnf s ALA 90 N -0.62 3.62 0.43 4.21 0.00 -1.26 -4.91 121.76 123.23 1nnf s ALA 90 Ca 0.09 0.84 0.13 0.00 0.00 0.00 0.00 51.96 53.02 1nnf s ALA 90 Cb -0.11 -3.68 1.00 0.00 0.00 0.00 0.00 23.12 20.32 1nnf s ALA 90 CO 0.00 -1.23 1.98 -1.00 0.00 0.00 0.00 175.76 175.52 1nnf h PRO 91 N 8.82 0.43 -0.46 0.00 0.13 -1.99 -1.21 132.00 137.73 1nnf h PRO 91 Ca -0.36 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1nnf h PRO 91 Cb 1.16 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1nnf h PRO 91 CO 0.95 0.29 0.00 1.63 -0.23 0.00 0.00 178.00 180.63 1nnf n LYS 92 N -4.47 2.17 -2.90 0.86 5.02 -1.26 -4.93 118.16 112.64 1nnf n LYS 92 Ca 0.09 -1.81 -0.21 0.00 -2.02 0.00 0.00 58.31 54.36 1nnf n LYS 92 Cb 0.34 -1.41 0.02 0.00 -0.02 0.00 0.00 35.03 33.95 1nnf n LYS 92 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1nnf n LYS 93 N 0.98 -3.82 -0.19 1.97 -0.00 -0.46 -4.75 118.16 111.88 1nnf n LYS 93 Ca 0.17 0.84 0.08 0.00 -0.00 0.00 0.00 58.31 59.41 1nnf n LYS 93 Cb 0.44 -5.62 0.17 0.00 -0.00 0.00 0.00 35.03 30.02 1nnf n LYS 93 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1nnf n ASP 94 N -2.33 2.84 -3.76 -5.58 5.75 -1.26 -0.47 116.55 111.74 1nnf n ASP 94 Ca -0.13 -2.91 -0.06 0.00 -0.01 0.00 0.00 54.79 51.69 1nnf n ASP 94 Cb 0.62 -0.42 -0.02 0.00 -1.03 0.00 0.00 41.12 40.28 1nnf n ASP 94 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 1nnf s TRP 95 N -2.58 -0.20 -0.01 2.11 1.48 -1.26 -4.57 118.94 113.91 1nnf s TRP 95 Ca 0.32 -0.15 0.00 0.00 -1.06 0.00 0.00 56.10 55.21 1nnf s TRP 95 Cb 0.26 0.66 0.02 0.00 -1.16 0.00 0.00 33.47 33.25 1nnf s TRP 95 CO 0.05 -0.99 0.01 -1.50 -4.06 0.00 0.00 176.95 170.47 1nnf s ILE 96 N -3.59 -0.02 0.18 0.66 2.07 -0.36 -4.34 121.20 115.80 1nnf s ILE 96 Ca 0.10 0.11 -0.30 0.00 -1.41 0.00 0.00 60.65 59.16 1nnf s ILE 96 Cb -0.03 -0.06 -0.07 0.00 0.13 0.00 0.00 42.46 42.42 1nnf s ILE 96 CO 0.02 0.05 0.95 0.00 -1.91 0.00 0.00 174.94 174.06 1nnf s ALA 97 N 0.59 3.29 0.00 1.50 0.00 -1.26 -1.17 121.76 124.71 1nnf s ALA 97 Ca -0.05 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1nnf s ALA 97 Cb -0.07 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1nnf s ALA 97 CO -0.02 0.09 0.00 1.28 0.00 0.00 0.00 175.76 177.11 1nnf n LEU 98 N 2.13 1.30 -3.86 0.00 4.77 0.46 -4.78 117.00 117.02 1nnf n LEU 98 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1nnf n LEU 98 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1nnf n LEU 98 CO 0.51 0.22 0.46 -0.94 -1.33 0.00 0.00 177.39 176.30 1nnf s SER 99 N -3.38 -0.21 0.05 -1.43 1.04 -1.19 -2.70 113.70 105.88 1nnf s SER 99 Ca 0.00 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 1nnf s SER 99 Cb 0.00 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.83 1nnf s SER 99 CO 0.00 -1.37 0.02 -0.83 0.98 0.00 0.00 173.24 172.03 1nnf s GLY 100 N -2.95 0.33 0.01 7.32 0.00 -0.36 -0.63 107.32 111.05 1nnf s GLY 100 Ca 0.12 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 44.02 1nnf s GLY 100 CO 0.08 -1.02 -0.25 0.50 0.00 0.00 0.00 173.10 172.41 1nnf s ARG 101 N -3.22 1.85 -0.02 2.90 0.52 0.14 -0.45 118.95 120.68 1nnf s ARG 101 Ca 0.00 -0.95 0.06 0.00 -0.52 0.00 0.00 55.73 54.32 1nnf s ARG 101 Cb 0.03 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 1nnf s ARG 101 CO -0.07 0.50 -0.19 0.45 0.02 0.00 0.00 175.30 176.01 1nnf s SER 102 N -0.85 3.65 0.71 0.23 0.15 -1.26 -0.69 113.70 115.64 1nnf s SER 102 Ca 0.10 -0.34 -0.16 0.00 0.70 0.00 0.00 55.95 56.25 1nnf s SER 102 Cb -0.09 -0.63 0.03 0.00 -1.71 0.00 0.00 66.02 63.62 1nnf s SER 102 CO 0.00 0.32 1.24 -0.13 1.20 0.00 0.00 173.24 175.87 1nnf s ARG 103 N -0.84 2.23 0.20 5.44 1.81 -0.53 -0.54 118.95 126.71 1nnf s ARG 103 Ca 0.12 1.89 -0.21 0.00 -1.72 0.00 0.00 55.73 55.81 1nnf s ARG 103 Cb -0.10 -1.83 0.04 0.00 -0.45 0.00 0.00 34.95 32.61 1nnf s ARG 103 CO 0.01 -1.80 0.60 0.54 -0.68 0.00 0.00 175.30 173.97 1nnf s VAL 104 N -1.76 0.01 -0.21 3.52 0.11 -0.29 -4.71 120.40 117.07 1nnf s VAL 104 Ca 0.78 -0.49 -0.06 0.00 -2.93 0.00 0.00 61.98 59.28 1nnf s VAL 104 Cb -0.32 -1.41 -0.03 0.00 -1.53 0.00 0.00 36.38 33.09 1nnf s VAL 104 CO 0.44 -0.05 0.02 -0.69 -3.33 0.00 0.00 175.10 171.49 1nnf s VAL 105 N -3.83 4.05 -0.05 2.04 1.01 -0.86 -1.64 120.40 121.13 1nnf s VAL 105 Ca 0.06 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1nnf s VAL 105 Cb -0.02 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1nnf s VAL 105 CO -0.05 0.40 0.28 0.54 0.00 0.00 0.00 175.10 176.27 1nnf s VAL 106 N 1.18 5.26 0.03 2.92 0.11 0.03 -0.21 120.40 129.72 1nnf s VAL 106 Ca 0.03 0.50 -0.04 0.00 -2.93 0.00 0.00 61.98 59.54 1nnf s VAL 106 Cb -0.14 -3.56 -0.01 0.00 -1.53 0.00 0.00 36.38 31.13 1nnf s VAL 106 CO 0.02 0.57 0.07 -0.72 -3.33 0.00 0.00 175.10 171.71 1nnf s TYR 107 N -1.09 0.22 -0.51 1.54 1.13 0.17 -0.61 117.35 118.20 1nnf s TYR 107 Ca 0.21 -0.51 -0.26 0.00 -1.41 0.00 0.00 57.07 55.10 1nnf s TYR 107 Cb -0.14 -0.16 0.03 0.00 -1.10 0.00 0.00 41.96 40.59 1nnf s TYR 107 CO 0.10 -0.32 0.98 0.34 -2.51 0.00 0.00 175.55 174.13 1nnf s ASP 108 N -1.98 6.44 0.00 -0.18 -1.08 0.36 -0.59 116.67 119.65 1nnf s ASP 108 Ca -0.07 -0.03 0.16 0.00 -0.52 0.00 0.00 52.55 52.08 1nnf s ASP 108 Cb -0.03 -2.46 0.67 0.00 -1.46 0.00 0.00 42.92 39.64 1nnf s ASP 108 CO -0.04 -1.18 1.50 0.00 0.52 0.00 0.00 175.17 175.97 1nnf n HIS 109 N 7.48 0.01 0.87 -5.34 1.44 0.02 -1.18 115.22 118.52 1nnf n HIS 109 Ca 0.05 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.89 1nnf n HIS 109 Cb 0.48 -0.50 0.43 0.00 0.12 0.00 0.00 29.99 30.52 1nnf n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1nnf n THR 110 N -1.50 0.16 -0.02 0.61 -2.24 -1.26 -4.23 114.28 105.79 1nnf n THR 110 Ca 0.04 -0.09 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1nnf n THR 110 Cb 0.18 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 1nnf n THR 110 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1nnf n LYS 111 N -1.72 2.86 -4.20 -0.78 5.02 -0.44 -5.06 118.16 113.85 1nnf n LYS 111 Ca 0.06 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.19 1nnf n LYS 111 Cb 0.37 -1.12 -0.11 0.00 -0.02 0.00 0.00 35.03 34.15 1nnf n LYS 111 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nnf s LEU 112 N -4.46 2.39 0.49 -0.35 1.43 -0.32 -5.07 118.68 112.78 1nnf s LEU 112 Ca -0.03 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1nnf s LEU 112 Cb 0.01 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.81 1nnf s LEU 112 CO 0.18 -0.21 0.01 -0.94 0.23 0.00 0.00 176.35 175.63 1nnf s SER 113 N -2.39 4.00 0.52 2.29 1.04 -1.26 -4.13 113.70 113.77 1nnf s SER 113 Ca 0.06 -1.62 0.20 0.00 0.48 0.00 0.00 55.95 55.07 1nnf s SER 113 Cb -0.04 0.40 1.34 0.00 0.10 0.00 0.00 66.02 67.82 1nnf s SER 113 CO 0.01 -0.80 2.13 -0.33 0.98 0.00 0.00 173.24 175.23 1nnf h GLU 114 N 1.44 0.00 0.00 4.02 5.08 -1.97 -1.05 114.58 122.10 1nnf h GLU 114 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1nnf h GLU 114 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1nnf h GLU 114 CO 0.74 0.06 0.00 0.87 -1.00 0.00 0.00 179.01 179.68 1nnf h LYS 115 N 0.00 0.00 0.00 2.33 1.57 -2.04 -2.26 116.57 116.18 1nnf h LYS 115 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nnf h LYS 115 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1nnf h LYS 115 CO 0.01 0.00 -0.20 -0.25 -0.57 0.00 0.00 179.45 178.44 1nnf n ASP 116 N -3.00 0.52 -4.81 0.86 8.00 -0.40 -4.92 116.55 112.80 1nnf n ASP 116 Ca 0.01 0.35 -0.33 0.00 0.71 0.00 0.00 54.79 55.53 1nnf n ASP 116 Cb 0.31 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 1nnf n ASP 116 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1nnf s MET 117 N -3.07 3.70 0.10 -1.24 -1.94 -0.85 -5.00 119.30 110.99 1nnf s MET 117 Ca 0.11 1.16 -0.17 0.00 -1.71 0.00 0.00 55.69 55.07 1nnf s MET 117 Cb 0.15 -2.09 -0.07 0.00 2.01 0.00 0.00 34.83 34.83 1nnf s MET 117 CO 0.62 -0.49 0.56 -1.21 -0.01 0.00 0.00 175.02 174.48 1nnf s GLU 118 N -3.80 4.12 0.11 2.03 0.41 -1.26 -4.98 118.70 115.33 1nnf s GLU 118 Ca 0.63 0.65 0.27 0.00 -0.41 0.00 0.00 54.97 56.10 1nnf s GLU 118 Cb -0.14 -3.13 0.92 0.00 -1.78 0.00 0.00 34.13 30.01 1nnf s GLU 118 CO 0.29 0.58 1.78 0.36 -0.49 0.00 0.00 175.26 177.78 1nnf n LYS 119 N 1.40 0.15 -5.06 1.61 2.85 -1.26 -4.72 118.16 113.13 1nnf n LYS 119 Ca -0.09 0.11 -0.28 0.00 -1.05 0.00 0.00 58.31 57.00 1nnf n LYS 119 Cb 0.51 -1.66 -0.16 0.00 -0.65 0.00 0.00 35.03 33.07 1nnf n LYS 119 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1nnf s SER 120 N -3.83 2.56 0.55 -5.58 0.15 -1.26 -4.84 113.70 101.44 1nnf s SER 120 Ca 0.12 -0.41 0.25 0.00 0.70 0.00 0.00 55.95 56.61 1nnf s SER 120 Cb 0.15 -0.46 1.57 0.00 -1.71 0.00 0.00 66.02 65.57 1nnf s SER 120 CO 0.59 0.24 2.18 1.62 1.20 0.00 0.00 173.24 179.06 1nnf h VAL 121 N 4.83 0.69 -0.05 4.45 3.04 -1.94 -1.12 116.25 126.14 1nnf h VAL 121 Ca -0.37 -0.16 0.02 0.00 -1.01 0.00 0.00 66.70 65.17 1nnf h VAL 121 Cb 1.15 1.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1nnf h VAL 121 CO 0.48 0.04 0.04 -0.07 -1.01 0.00 0.00 177.57 177.05 1nnf h LEU 122 N 0.00 0.00 0.00 3.16 3.38 -1.97 -2.87 115.31 117.00 1nnf h LEU 122 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nnf h LEU 122 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1nnf h LEU 122 CO 0.01 0.00 -0.16 0.47 0.09 0.00 0.00 178.44 178.85 1nnf n ASP 123 N -4.45 0.42 0.26 -0.43 9.92 -0.42 -2.79 116.55 119.07 1nnf n ASP 123 Ca -0.02 0.36 0.15 0.00 -0.53 0.00 0.00 54.79 54.75 1nnf n ASP 123 Cb 0.14 -0.39 0.61 0.00 -0.64 0.00 0.00 41.12 40.84 1nnf n ASP 123 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1nnf h TYR 124 N 0.00 0.00 -0.68 1.24 0.05 -1.63 -3.24 116.97 112.71 1nnf h TYR 124 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 1nnf h TYR 124 Cb 0.61 0.00 -0.20 0.00 1.01 0.00 0.00 36.73 38.15 1nnf h TYR 124 CO 0.00 0.06 0.59 0.00 -1.05 0.00 0.00 178.16 177.76 1nnf n ALA 125 N -2.13 5.55 -2.37 3.88 0.00 -1.12 -4.60 120.51 119.73 1nnf n ALA 125 Ca 0.01 -2.35 -0.19 0.00 0.00 0.00 0.00 53.44 50.91 1nnf n ALA 125 Cb 0.35 -1.52 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 1nnf n ALA 125 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nnf s THR 126 N -3.24 1.01 0.58 0.00 -4.23 -1.23 -4.33 115.64 104.20 1nnf s THR 126 Ca 0.44 -2.02 0.27 0.00 -1.18 0.00 0.00 61.69 59.20 1nnf s THR 126 Cb 0.35 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.97 1nnf s THR 126 CO -0.00 -0.15 2.18 -0.65 -0.54 0.00 0.00 174.62 175.46 1nnf h PRO 127 N 2.33 0.00 -0.84 3.99 0.11 -1.90 -0.19 132.00 135.49 1nnf h PRO 127 Ca -0.39 0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.93 1nnf h PRO 127 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1nnf h PRO 127 CO 0.66 0.00 0.58 0.87 -0.21 0.00 0.00 178.00 179.90 1nnf h LYS 128 N 0.00 0.20 -0.59 1.05 1.57 -1.94 -2.00 116.57 114.86 1nnf h LYS 128 Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1nnf h LYS 128 Cb 0.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nnf h LYS 128 CO -0.00 0.13 0.00 0.91 -0.57 0.00 0.00 179.45 179.92 1nnf n TRP 129 N -4.40 1.50 -1.68 -1.35 7.02 -0.08 -4.95 117.44 113.50 1nnf n TRP 129 Ca 0.18 -0.65 -0.44 0.00 -1.02 0.00 0.00 57.50 55.57 1nnf n TRP 129 Cb 0.78 -0.29 -0.04 0.00 -2.42 0.00 0.00 31.31 29.35 1nnf n TRP 129 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1nnf n LYS 130 N 0.88 2.64 -0.96 -0.99 4.81 -0.75 -0.28 118.16 123.50 1nnf n LYS 130 Ca 0.25 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.65 1nnf n LYS 130 Cb 0.93 -2.85 0.00 0.00 0.02 0.00 0.00 35.03 33.12 1nnf n LYS 130 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nnf n GLY 131 N 4.30 0.34 0.02 3.14 0.00 0.10 -4.86 105.19 108.24 1nnf n GLY 131 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1nnf n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nnf n LYS 132 N -1.44 2.75 -4.02 1.61 5.02 0.62 -4.79 118.16 117.90 1nnf n LYS 132 Ca 0.00 -0.30 -0.28 0.00 -2.02 0.00 0.00 58.31 55.72 1nnf n LYS 132 Cb 0.17 -0.80 -0.17 0.00 -0.02 0.00 0.00 35.03 34.22 1nnf n LYS 132 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1nnf s ILE 133 N -0.58 1.23 0.30 -0.18 1.10 -1.20 -2.51 121.20 119.35 1nnf s ILE 133 Ca 0.01 -0.43 -0.15 0.00 -0.51 0.00 0.00 60.65 59.57 1nnf s ILE 133 Cb 0.01 -1.19 -0.09 0.00 0.15 0.00 0.00 42.46 41.34 1nnf s ILE 133 CO 0.03 0.40 0.72 -0.83 -2.11 0.00 0.00 174.94 173.15 1nnf s GLY 134 N 1.52 2.38 0.13 1.50 0.00 0.67 -0.39 107.32 113.13 1nnf s GLY 134 Ca 0.03 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.67 1nnf s GLY 134 CO -0.08 0.27 0.32 -2.52 0.00 0.00 0.00 173.10 171.09 1nnf s TYR 135 N -1.88 0.07 -0.46 1.90 1.13 -0.50 -0.78 117.35 116.82 1nnf s TYR 135 Ca 0.52 -0.44 0.03 0.00 -1.41 0.00 0.00 57.07 55.76 1nnf s TYR 135 Cb -0.11 0.09 0.14 0.00 -1.10 0.00 0.00 41.96 40.98 1nnf s TYR 135 CO 0.18 -0.68 0.28 0.08 -2.51 0.00 0.00 175.55 172.91 1nnf s VAL 136 N -3.87 1.38 -0.17 -3.49 1.01 -1.26 -0.77 120.40 113.24 1nnf s VAL 136 Ca 0.08 -2.74 0.29 0.00 0.00 0.00 0.00 61.98 59.61 1nnf s VAL 136 Cb 0.03 -1.96 0.32 0.00 0.00 0.00 0.00 36.38 34.78 1nnf s VAL 136 CO -0.08 -0.96 1.86 0.77 0.00 0.00 0.00 175.10 176.69 1nnf h SER 137 N 6.43 0.00 0.17 3.32 4.64 -1.93 -2.46 113.55 123.73 1nnf h SER 137 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nnf h SER 137 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1nnf h SER 137 CO 0.49 0.00 -0.18 0.35 -0.87 0.00 0.00 176.83 176.62 1nnf n THR 138 N -2.68 0.00 -2.80 2.95 -2.24 -1.26 -4.77 114.28 103.47 1nnf n THR 138 Ca 0.01 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 1nnf n THR 138 Cb 0.26 0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 1nnf n THR 138 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nnf s SER 139 N -2.36 7.09 0.19 3.42 0.15 -0.93 -4.97 113.70 116.30 1nnf s SER 139 Ca 0.28 1.75 -0.11 0.00 0.70 0.00 0.00 55.95 58.57 1nnf s SER 139 Cb 0.20 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 62.06 1nnf s SER 139 CO 0.46 -0.25 1.78 1.23 1.20 0.00 0.00 173.24 177.66 1nnf h GLY 140 N 2.40 1.01 2.00 9.45 0.00 -1.92 -2.05 103.07 113.96 1nnf h GLY 140 Ca -0.48 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.25 1nnf h GLY 140 CO 0.63 0.47 -0.47 0.00 0.00 0.00 0.00 176.54 177.17 1nnf h ALA 141 N 1.15 1.05 -0.57 3.60 0.00 -1.94 -1.29 119.26 121.25 1nnf h ALA 141 Ca 0.23 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1nnf h ALA 141 Cb 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1nnf h ALA 141 CO -0.03 0.59 0.26 0.35 0.00 0.00 0.00 179.25 180.41 1nnf h PHE 142 N 0.00 0.84 -0.69 0.00 3.57 -1.71 0.08 116.94 119.03 1nnf h PHE 142 Ca -0.00 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1nnf h PHE 142 Cb 0.93 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1nnf h PHE 142 CO 0.00 0.66 0.29 1.25 -2.23 0.00 0.00 178.31 178.28 1nnf h LEU 143 N 0.78 0.94 -1.18 0.59 5.85 -0.82 -1.07 115.31 120.40 1nnf h LEU 143 Ca 0.19 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1nnf h LEU 143 Cb 0.15 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1nnf h LEU 143 CO -0.02 0.84 0.56 -0.33 -0.34 0.00 0.00 178.44 179.15 1nnf h GLU 144 N 0.98 1.06 -0.70 1.25 4.39 -0.86 -0.71 114.58 119.98 1nnf h GLU 144 Ca 0.23 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 1nnf h GLU 144 Cb 0.18 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 1nnf h GLU 144 CO -0.02 0.70 0.27 0.37 -1.16 0.00 0.00 179.01 179.17 1nnf h GLN 145 N 1.09 1.04 -0.42 2.33 5.75 -0.15 -0.46 115.11 124.29 1nnf h GLN 145 Ca 0.33 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.58 1nnf h GLN 145 Cb -0.02 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 1nnf h GLN 145 CO -0.09 0.87 0.05 0.28 -2.65 0.00 0.00 178.83 177.29 1nnf h VAL 146 N 0.99 1.25 -0.48 2.39 2.07 -0.43 -0.42 116.25 121.62 1nnf h VAL 146 Ca 0.23 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1nnf h VAL 146 Cb 0.22 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1nnf h VAL 146 CO -0.02 0.32 0.24 0.58 0.02 0.00 0.00 177.57 178.70 1nnf h VAL 147 N 0.56 0.95 -0.64 2.57 2.07 -0.90 -0.83 116.25 120.04 1nnf h VAL 147 Ca 0.13 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1nnf h VAL 147 Cb 0.40 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1nnf h VAL 147 CO 0.01 0.08 0.26 0.00 0.02 0.00 0.00 177.57 177.94 1nnf h ALA 148 N 1.26 0.83 -0.61 1.67 0.00 -0.80 -1.02 119.26 120.60 1nnf h ALA 148 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nnf h ALA 148 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1nnf h ALA 148 CO -0.15 0.45 0.32 -0.07 0.00 0.00 0.00 179.25 179.80 1nnf h LEU 149 N 0.90 0.77 -0.62 0.00 3.38 -0.71 0.84 115.31 119.87 1nnf h LEU 149 Ca 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1nnf h LEU 149 Cb 0.20 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1nnf h LEU 149 CO -0.02 0.66 0.36 0.28 0.09 0.00 0.00 178.44 179.82 1nnf h SER 150 N 0.83 0.75 -0.37 -0.43 0.02 -0.80 0.17 113.55 113.72 1nnf h SER 150 Ca 0.21 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.96 1nnf h SER 150 Cb 0.07 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1nnf h SER 150 CO -0.03 0.60 -0.31 0.11 -1.14 0.00 0.00 176.83 176.06 1nnf h LYS 151 N 0.84 0.85 0.10 3.45 1.57 -0.86 0.02 116.57 122.54 1nnf h LYS 151 Ca 0.22 -0.43 -0.29 0.00 -1.87 0.00 0.00 60.65 58.29 1nnf h LYS 151 Cb -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1nnf h LYS 151 CO -0.04 1.07 -1.41 0.52 -0.57 0.00 0.00 179.45 179.02 1nnf h MET 152 N 0.65 0.21 0.00 3.15 2.86 -0.69 -3.40 114.93 117.71 1nnf h MET 152 Ca 0.07 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1nnf h MET 152 Cb 0.89 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1nnf h MET 152 CO 0.08 1.08 -0.07 1.63 1.06 0.00 0.00 176.91 180.70 1nnf n LYS 153 N -3.43 5.19 0.00 1.72 4.76 0.56 -5.07 118.16 121.88 1nnf n LYS 153 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1nnf n LYS 153 Cb 1.03 -0.44 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1nnf n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nnf n GLY 154 N 0.89 1.18 0.27 0.72 0.00 -0.00 -4.47 105.19 103.78 1nnf n GLY 154 Ca 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.28 1nnf n GLY 154 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nnf h ASP 155 N 0.00 0.37 -0.48 1.61 3.32 -1.85 -2.13 116.42 117.27 1nnf h ASP 155 Ca 0.00 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1nnf h ASP 155 Cb 0.00 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1nnf h ASP 155 CO 0.00 0.40 -0.09 0.11 -1.72 0.00 0.00 179.24 177.94 1nnf h LYS 156 N 0.40 0.90 -0.48 3.56 1.57 -1.95 0.11 116.57 120.69 1nnf h LYS 156 Ca 0.10 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1nnf h LYS 156 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1nnf h LYS 156 CO -0.00 0.98 0.10 0.28 -0.57 0.00 0.00 179.45 180.24 1nnf h VAL 157 N 0.75 1.24 -0.46 0.50 2.07 -1.71 -0.01 116.25 118.64 1nnf h VAL 157 Ca 0.12 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1nnf h VAL 157 Cb 0.63 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1nnf h VAL 157 CO 0.04 0.31 0.21 0.00 0.02 0.00 0.00 177.57 178.15 1nnf h ALA 158 N 0.97 0.59 -0.55 1.67 0.00 -1.21 -0.75 119.26 119.97 1nnf h ALA 158 Ca 0.15 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1nnf h ALA 158 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1nnf h ALA 158 CO 0.01 0.17 0.12 1.25 0.00 0.00 0.00 179.25 180.79 1nnf h LEU 159 N 0.59 0.85 -1.06 0.00 5.85 -0.65 -1.56 115.31 119.34 1nnf h LEU 159 Ca 0.15 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1nnf h LEU 159 Cb 0.14 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1nnf h LEU 159 CO -0.02 0.88 0.56 -1.13 -0.34 0.00 0.00 178.44 178.39 1nnf h ASN 160 N 0.80 1.05 -0.29 1.25 -1.24 -0.75 0.37 115.58 116.77 1nnf h ASN 160 Ca 0.17 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 1nnf h ASN 160 Cb 0.37 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1nnf h ASN 160 CO 0.00 0.79 0.14 -0.25 -1.29 0.00 0.00 177.43 176.82 1nnf h TRP 161 N 1.23 0.42 -0.61 0.67 7.01 -0.76 0.30 115.95 124.20 1nnf h TRP 161 Ca 0.32 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.29 1nnf h TRP 161 Cb -0.09 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 26.81 1nnf h TRP 161 CO 0.00 0.38 0.31 -0.07 -2.79 0.00 0.00 178.44 176.27 1nnf h LEU 162 N 0.33 0.78 -1.16 0.65 3.38 -0.73 0.14 115.31 118.70 1nnf h LEU 162 Ca 0.10 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1nnf h LEU 162 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1nnf h LEU 162 CO -0.01 0.67 -0.03 0.11 0.09 0.00 0.00 178.44 179.27 1nnf h LYS 163 N 0.83 0.55 -0.58 1.13 1.57 -0.79 -0.57 116.57 118.71 1nnf h LYS 163 Ca 0.21 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1nnf h LYS 163 Cb 0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1nnf h LYS 163 CO -0.03 0.60 0.02 0.78 -0.57 0.00 0.00 179.45 180.25 1nnf h GLY 164 N 0.88 1.07 1.16 3.86 0.00 -0.18 -1.44 103.07 108.41 1nnf h GLY 164 Ca 0.11 -0.75 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 1nnf h GLY 164 CO 0.02 0.69 -0.15 1.41 0.00 0.00 0.00 176.54 178.51 1nnf h LEU 165 N 0.92 0.98 -0.47 3.11 3.38 -0.57 0.84 115.31 123.50 1nnf h LEU 165 Ca 0.17 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1nnf h LEU 165 Cb 0.50 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1nnf h LEU 165 CO 0.02 1.12 0.22 0.50 0.09 0.00 0.00 178.44 180.39 1nnf h LYS 166 N 0.86 0.43 -0.06 1.13 1.63 -0.81 0.26 116.57 120.02 1nnf h LYS 166 Ca 0.13 -0.03 -0.23 0.00 -0.85 0.00 0.00 60.65 59.68 1nnf h LYS 166 Cb 0.70 -0.10 0.02 0.00 -0.60 0.00 0.00 32.23 32.25 1nnf h LYS 166 CO 0.05 0.29 -0.84 1.49 -3.45 0.00 0.00 179.45 176.99 1nnf h GLU 167 N 0.45 0.67 0.00 1.90 4.81 -1.12 -3.39 114.58 117.90 1nnf h GLU 167 Ca 0.21 -0.65 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 1nnf h GLU 167 Cb 0.13 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1nnf h GLU 167 CO -0.16 1.25 -1.78 0.09 -0.73 0.00 0.00 179.01 177.68 1nnf n ASN 168 N -3.97 1.55 -4.96 1.04 3.02 0.28 -4.82 115.26 107.39 1nnf n ASN 168 Ca -0.10 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.23 1nnf n ASN 168 Cb 0.78 1.42 0.04 0.00 -0.61 0.00 0.00 39.78 41.41 1nnf n ASN 168 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1nnf s GLY 169 N -4.05 1.75 -0.21 7.41 0.00 0.92 0.01 107.32 113.15 1nnf s GLY 169 Ca -0.06 -1.17 -0.04 0.00 0.00 0.00 0.00 44.72 43.45 1nnf s GLY 169 CO 0.61 -0.88 -0.03 0.54 0.00 0.00 0.00 173.10 173.33 1nnf s LYS 170 N -4.84 3.46 0.06 2.90 1.02 0.47 -4.79 119.74 118.02 1nnf s LYS 170 Ca 0.56 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 1nnf s LYS 170 Cb -0.10 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 1nnf s LYS 170 CO 0.40 -0.10 0.96 -1.17 -0.92 0.00 0.00 175.35 174.52 1nnf s LEU 171 N 1.24 4.44 0.11 3.17 2.96 -1.26 -1.41 118.68 127.94 1nnf s LEU 171 Ca 0.03 1.72 0.10 0.00 -0.22 0.00 0.00 54.13 55.76 1nnf s LEU 171 Cb -0.14 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1nnf s LEU 171 CO -0.01 -0.15 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.31 1nnf s TYR 172 N 0.44 2.18 0.30 5.38 2.02 0.05 -4.92 117.35 122.79 1nnf s TYR 172 Ca 0.49 -0.39 0.10 0.00 -0.37 0.00 0.00 57.07 56.89 1nnf s TYR 172 Cb -0.22 -1.20 0.46 0.00 -0.40 0.00 0.00 41.96 40.60 1nnf s TYR 172 CO 0.29 0.28 1.68 0.00 -1.57 0.00 0.00 175.55 176.22 1nnf h ALA 173 N 4.06 1.09 -2.56 3.71 0.00 -1.96 -3.39 119.26 120.21 1nnf h ALA 173 Ca -0.49 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 53.86 1nnf h ALA 173 Cb 1.17 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 1nnf h ALA 173 CO 0.40 0.65 -0.31 0.15 0.00 0.00 0.00 179.25 180.15 1nnf s LYS 174 N -3.87 0.84 0.26 0.00 1.02 -1.26 -4.80 119.74 111.93 1nnf s LYS 174 Ca -0.03 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.16 1nnf s LYS 174 Cb 0.13 0.35 0.36 0.00 -0.52 0.00 0.00 37.83 38.15 1nnf s LYS 174 CO 0.76 -0.27 1.89 -0.91 -0.92 0.00 0.00 175.35 175.89 1nnf h ASN 175 N 2.92 1.02 -0.87 2.83 2.35 -1.95 -1.37 115.58 120.51 1nnf h ASN 175 Ca -0.33 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.40 1nnf h ASN 175 Cb 1.21 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.32 1nnf h ASN 175 CO 0.51 0.67 0.46 0.77 -1.65 0.00 0.00 177.43 178.19 1nnf h SER 176 N 1.17 1.11 -0.43 5.81 4.64 -1.99 -0.37 113.55 123.49 1nnf h SER 176 Ca 0.41 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.55 1nnf h SER 176 Cb 0.10 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1nnf h SER 176 CO -0.15 0.90 -0.01 0.58 -0.87 0.00 0.00 176.83 177.28 1nnf h VAL 177 N 1.23 1.26 -0.70 0.95 2.07 -1.82 -1.56 116.25 117.67 1nnf h VAL 177 Ca 0.30 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1nnf h VAL 177 Cb 0.06 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1nnf h VAL 177 CO -0.05 0.36 0.40 0.00 0.02 0.00 0.00 177.57 178.31 1nnf h ALA 178 N 0.90 0.90 -0.42 1.67 0.00 -0.87 -0.21 119.26 121.22 1nnf h ALA 178 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nnf h ALA 178 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1nnf h ALA 178 CO 0.02 0.40 0.21 1.25 0.00 0.00 0.00 179.25 181.13 1nnf h LEU 179 N 0.96 0.54 -1.15 0.00 5.85 -0.87 -1.84 115.31 118.81 1nnf h LEU 179 Ca 0.25 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1nnf h LEU 179 Cb 0.01 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1nnf h LEU 179 CO -0.04 0.50 -0.14 1.56 -0.34 0.00 0.00 178.44 179.98 1nnf h GLN 180 N 0.54 0.43 -0.52 1.25 1.08 -1.02 -1.42 115.11 115.45 1nnf h GLN 180 Ca 0.14 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1nnf h GLN 180 Cb 0.10 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1nnf h GLN 180 CO -0.02 0.57 0.13 0.00 -0.95 0.00 0.00 178.83 178.56 1nnf h ALA 181 N 1.46 1.25 -0.10 3.87 0.00 -0.49 0.16 119.26 125.40 1nnf h ALA 181 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1nnf h ALA 181 Cb 0.48 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1nnf h ALA 181 CO 0.03 0.53 -0.11 0.28 0.00 0.00 0.00 179.25 179.98 1nnf h VAL 182 N 0.77 1.37 -0.83 0.00 2.07 -0.89 0.31 116.25 119.05 1nnf h VAL 182 Ca 0.17 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.47 1nnf h VAL 182 Cb 0.28 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1nnf h VAL 182 CO -0.00 0.37 0.54 -0.33 0.02 0.00 0.00 177.57 178.17 1nnf h GLU 183 N -0.18 0.87 -0.02 1.57 4.39 -0.95 -2.60 114.58 117.67 1nnf h GLU 183 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1nnf h GLU 183 Cb 0.64 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1nnf h GLU 183 CO 0.03 0.58 0.00 0.09 -1.16 0.00 0.00 179.01 178.54 1nnf n ASN 184 N -4.49 1.44 0.00 1.42 3.02 0.52 -4.84 115.26 112.33 1nnf n ASN 184 Ca 0.13 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 1nnf n ASN 184 Cb 0.23 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1nnf n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nnf n GLY 185 N 1.17 0.66 0.19 7.41 0.00 -0.97 -4.94 105.19 108.70 1nnf n GLY 185 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1nnf n GLY 185 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nnf h GLU 186 N 1.97 0.40 -3.15 1.61 5.08 -1.19 -3.45 114.58 115.86 1nnf h GLU 186 Ca 0.00 -0.28 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 1nnf h GLU 186 Cb 0.00 0.04 -0.25 0.00 0.50 0.00 0.00 28.75 29.04 1nnf h GLU 186 CO 0.00 0.89 -0.43 0.54 -1.00 0.00 0.00 179.01 179.01 1nnf s VAL 187 N -3.82 0.00 -0.66 3.13 0.11 -1.14 -5.01 120.40 113.01 1nnf s VAL 187 Ca -0.06 -0.03 0.26 0.00 -2.93 0.00 0.00 61.98 59.22 1nnf s VAL 187 Cb 0.11 -0.36 0.29 0.00 -1.53 0.00 0.00 36.38 34.90 1nnf s VAL 187 CO 0.82 -0.02 1.76 1.55 -3.33 0.00 0.00 175.10 175.88 1nnf h PRO 188 N 5.67 0.00 -3.36 1.54 0.13 -1.87 -3.33 132.00 130.77 1nnf h PRO 188 Ca -0.26 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.81 1nnf h PRO 188 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1nnf h PRO 188 CO 0.36 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.02 1nnf s ALA 189 N -3.14 -0.88 0.03 -0.56 0.00 -1.05 -0.48 121.76 115.68 1nnf s ALA 189 Ca 0.09 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.82 1nnf s ALA 189 Cb 0.11 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.88 1nnf s ALA 189 CO 0.58 -0.59 0.47 0.00 0.00 0.00 0.00 175.76 176.22 1nnf s ALA 190 N -3.55 -1.18 -0.39 0.00 0.00 0.22 -0.24 121.76 116.63 1nnf s ALA 190 Ca 0.01 0.51 -0.19 0.00 0.00 0.00 0.00 51.96 52.29 1nnf s ALA 190 Cb 0.02 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1nnf s ALA 190 CO -0.10 -0.45 0.58 -0.51 0.00 0.00 0.00 175.76 175.28 1nnf s LEU 191 N -1.86 4.43 0.00 0.00 1.43 0.04 -0.79 118.68 121.93 1nnf s LEU 191 Ca -0.06 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1nnf s LEU 191 Cb -0.01 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1nnf s LEU 191 CO -0.00 -0.62 0.00 2.30 0.23 0.00 0.00 176.35 178.25 1nnf n ILE 192 N 5.62 0.00 -4.19 -0.59 -5.35 -0.65 -4.46 119.36 109.73 1nnf n ILE 192 Ca -0.03 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.21 1nnf n ILE 192 Cb 0.48 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.32 1nnf n ILE 192 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1nnf s ASN 193 N 0.47 5.02 0.24 7.28 0.01 -1.26 -1.14 114.94 125.56 1nnf s ASN 193 Ca 0.00 -0.40 -0.07 0.00 -0.71 0.00 0.00 52.86 51.68 1nnf s ASN 193 Cb 0.00 -1.13 0.23 0.00 0.41 0.00 0.00 41.25 40.76 1nnf s ASN 193 CO 0.00 0.02 1.89 -0.55 -1.51 0.00 0.00 177.10 176.95 1nnf h ASN 194 N 2.01 1.11 0.47 -1.22 -1.07 -1.10 -3.21 115.58 112.58 1nnf h ASN 194 Ca -0.47 -0.06 -0.07 0.00 0.07 0.00 0.00 56.30 55.77 1nnf h ASN 194 Cb 1.23 -0.28 -0.01 0.00 -2.07 0.00 0.00 38.32 37.19 1nnf h ASN 194 CO 0.60 0.84 -0.34 0.10 0.07 0.00 0.00 177.43 178.70 1nnf h TYR 195 N 1.29 0.00 -0.41 4.14 -0.00 -1.85 -1.90 116.97 118.25 1nnf h TYR 195 Ca 0.34 0.00 0.02 0.00 -0.00 0.00 0.00 58.73 59.09 1nnf h TYR 195 Cb -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.62 1nnf h TYR 195 CO 0.00 0.34 0.23 1.88 -0.00 0.00 0.00 178.16 180.62 1nnf h TYR 196 N 0.00 0.43 -0.12 0.10 0.05 -1.93 0.14 116.97 115.63 1nnf h TYR 196 Ca -0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1nnf h TYR 196 Cb 0.67 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 1nnf h TYR 196 CO 0.00 0.25 -0.10 2.35 -1.05 0.00 0.00 178.16 179.61 1nnf h TRP 197 N 0.47 0.33 -0.24 4.88 7.01 -1.54 -2.15 115.95 124.72 1nnf h TRP 197 Ca 0.16 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1nnf h TRP 197 Cb 0.02 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1nnf h TRP 197 CO -0.08 0.67 -0.03 1.88 -2.79 0.00 0.00 178.44 178.09 1nnf h TYR 198 N -0.10 0.36 -0.20 2.65 0.05 -1.30 0.10 116.97 118.54 1nnf h TYR 198 Ca 0.02 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1nnf h TYR 198 Cb 0.60 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 1nnf h TYR 198 CO 0.08 0.40 0.08 -0.91 -1.05 0.00 0.00 178.16 176.76 1nnf h ASN 199 N 0.35 0.28 -0.54 3.88 -0.26 -0.91 -0.85 115.58 117.53 1nnf h ASN 199 Ca 0.08 -0.17 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 1nnf h ASN 199 Cb 0.28 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 1nnf h ASN 199 CO 0.01 0.37 0.19 0.25 -1.06 0.00 0.00 177.43 177.19 1nnf h LEU 200 N 0.17 0.77 -0.74 1.61 5.85 -0.69 -1.59 115.31 120.68 1nnf h LEU 200 Ca 0.07 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 1nnf h LEU 200 Cb 0.18 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1nnf h LEU 200 CO -0.01 0.75 0.24 0.00 -0.34 0.00 0.00 178.44 179.09 1nnf h ALA 201 N 1.04 0.97 -0.45 1.25 0.00 -0.75 0.02 119.26 121.35 1nnf h ALA 201 Ca 0.18 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1nnf h ALA 201 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1nnf h ALA 201 CO -0.01 0.65 0.01 -0.22 0.00 0.00 0.00 179.25 179.67 1nnf h LYS 202 N 1.10 0.79 -0.12 0.00 1.63 -0.88 0.32 116.57 119.41 1nnf h LYS 202 Ca 0.24 -0.25 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 1nnf h LYS 202 Cb 0.29 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1nnf h LYS 202 CO -0.01 0.85 -0.17 1.49 -3.45 0.00 0.00 179.45 178.16 1nnf h GLU 203 N 0.63 0.32 0.00 1.90 4.81 -1.11 -3.36 114.58 117.78 1nnf h GLU 203 Ca 0.13 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1nnf h GLU 203 Cb 0.49 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1nnf h GLU 203 CO 0.02 0.76 -1.90 1.63 -0.73 0.00 0.00 179.01 178.80 1nnf n LYS 204 N -4.55 0.65 -0.06 1.92 4.76 -0.02 -5.08 118.16 115.78 1nnf n LYS 204 Ca -0.07 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 1nnf n LYS 204 Cb 0.38 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1nnf n LYS 204 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nnf n GLY 205 N 1.29 -0.94 0.26 0.72 0.00 0.11 -4.53 105.19 102.11 1nnf n GLY 205 Ca -0.06 -1.13 0.07 0.00 0.00 0.00 0.00 46.02 44.90 1nnf n GLY 205 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1nnf h VAL 206 N 0.00 1.02 0.00 1.61 3.04 -1.88 0.06 116.25 120.10 1nnf h VAL 206 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1nnf h VAL 206 Cb 0.00 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1nnf h VAL 206 CO 0.00 0.03 0.00 -1.84 -1.01 0.00 0.00 177.57 174.75 1nnf n GLU 207 N -4.50 0.13 -0.20 4.17 0.00 -1.26 -1.66 120.64 117.32 1nnf n GLU 207 Ca -0.03 0.63 0.06 0.00 0.00 0.00 0.00 57.16 57.82 1nnf n GLU 207 Cb 0.11 -1.93 0.16 0.00 0.00 0.00 0.00 31.44 29.78 1nnf n GLU 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1nnf n ASN 208 N -2.21 3.00 -4.49 -1.84 5.03 0.00 -4.99 115.26 109.76 1nnf n ASN 208 Ca -0.01 -2.07 -0.33 0.00 0.87 0.00 0.00 54.58 53.04 1nnf n ASN 208 Cb 0.03 -0.25 -0.13 0.00 -1.02 0.00 0.00 39.78 38.41 1nnf n ASN 208 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1nnf s LEU 209 N -1.13 2.77 0.29 3.41 1.43 -0.66 -5.01 118.68 119.78 1nnf s LEU 209 Ca 0.25 -0.20 0.20 0.00 -1.03 0.00 0.00 54.13 53.35 1nnf s LEU 209 Cb 0.14 -1.57 0.13 0.00 0.03 0.00 0.00 46.19 44.91 1nnf s LEU 209 CO 0.15 0.34 1.32 0.11 0.23 0.00 0.00 176.35 178.50 1nnf h LYS 210 N 5.22 0.00 -6.55 1.70 1.57 -1.88 -3.47 116.57 113.16 1nnf h LYS 210 Ca -0.47 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.79 1nnf h LYS 210 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1nnf h LYS 210 CO 0.50 0.14 -0.06 -1.54 -0.57 0.00 0.00 179.45 177.92 1nnf s SER 211 N -5.97 6.58 0.23 0.86 1.04 -1.26 -0.80 113.70 114.38 1nnf s SER 211 Ca 0.03 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.41 1nnf s SER 211 Cb 0.07 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 1nnf s SER 211 CO 0.74 -0.17 0.13 -0.13 0.98 0.00 0.00 173.24 174.79 1nnf s ARG 212 N -3.18 1.32 -0.00 4.02 1.81 0.24 -4.86 118.95 118.29 1nnf s ARG 212 Ca 0.48 -1.71 0.03 0.00 -1.72 0.00 0.00 55.73 52.81 1nnf s ARG 212 Cb -0.11 0.11 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 1nnf s ARG 212 CO 0.24 -0.39 -0.06 -0.51 -0.68 0.00 0.00 175.30 173.91 1nnf s LEU 213 N -3.23 3.22 -0.13 2.53 1.43 -1.26 -0.66 118.68 120.58 1nnf s LEU 213 Ca 0.39 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1nnf s LEU 213 Cb 0.07 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1nnf s LEU 213 CO 0.14 0.29 -0.19 -0.47 0.23 0.00 0.00 176.35 176.35 1nnf s TYR 214 N -1.00 2.37 -0.23 0.29 5.04 0.70 -4.98 117.35 119.56 1nnf s TYR 214 Ca 0.17 -1.19 -0.08 0.00 -2.44 0.00 0.00 57.07 53.53 1nnf s TYR 214 Cb -0.11 -1.66 -0.03 0.00 0.35 0.00 0.00 41.96 40.51 1nnf s TYR 214 CO 0.07 -0.57 0.08 -0.06 -1.34 0.00 0.00 175.55 173.73 1nnf s PHE 215 N 0.95 3.15 0.20 4.97 0.40 -1.26 -2.02 117.98 124.36 1nnf s PHE 215 Ca -0.06 -0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.03 1nnf s PHE 215 Cb -0.15 -2.19 0.13 0.00 0.51 0.00 0.00 43.02 41.32 1nnf s PHE 215 CO -0.03 -0.16 1.57 -0.39 0.70 0.00 0.00 175.22 176.91 1nnf h VAL 216 N 5.29 1.28 -0.51 -0.44 -1.51 -1.88 -3.48 116.25 115.00 1nnf h VAL 216 Ca -0.37 -1.51 0.00 0.00 -1.23 0.00 0.00 66.70 63.59 1nnf h VAL 216 Cb 1.18 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 1nnf h VAL 216 CO 0.62 0.49 0.00 0.54 -1.23 0.00 0.00 177.57 177.99 1nnf n ARG 217 N -4.06 0.00 -4.06 5.19 1.74 -1.26 -4.87 116.66 109.35 1nnf n ARG 217 Ca -0.01 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 1nnf n ARG 217 Cb 0.50 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.89 1nnf n ARG 217 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1nnf n HIS 218 N 0.00 -1.41 -1.92 -1.55 1.44 -1.26 -1.35 115.22 109.18 1nnf n HIS 218 Ca 0.00 0.55 -0.19 0.00 -2.01 0.00 0.00 57.72 56.07 1nnf n HIS 218 Cb 0.00 -1.85 -0.05 0.00 0.12 0.00 0.00 29.99 28.21 1nnf n HIS 218 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1nnf n GLN 219 N -3.77 -1.58 -1.75 -1.40 6.02 0.42 -4.97 117.38 110.37 1nnf n GLN 219 Ca 0.09 1.06 -0.36 0.00 -0.01 0.00 0.00 57.00 57.77 1nnf n GLN 219 Cb 0.47 -5.54 0.07 0.00 1.02 0.00 0.00 30.24 26.25 1nnf n GLN 219 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1nnf s ASP 220 N -2.39 4.65 0.52 1.08 2.15 -0.46 -4.44 116.67 117.78 1nnf s ASP 220 Ca 0.00 2.53 0.27 0.00 0.43 0.00 0.00 52.55 55.78 1nnf s ASP 220 Cb 0.00 -2.61 1.39 0.00 -0.30 0.00 0.00 42.92 41.40 1nnf s ASP 220 CO 0.00 -1.97 1.92 -0.65 -0.17 0.00 0.00 175.17 174.31 1nnf h PRO 221 N 0.47 0.06 0.00 4.34 0.11 -1.93 -0.33 132.00 134.72 1nnf h PRO 221 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nnf h PRO 221 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1nnf h PRO 221 CO 0.53 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.77 1nnf n GLY 222 N -1.66 -0.92 0.97 -0.55 0.00 -1.26 -2.29 105.19 99.49 1nnf n GLY 222 Ca 0.15 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1nnf n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnf n ALA 223 N -1.17 2.63 -1.63 4.61 0.00 -0.13 -4.46 120.51 120.36 1nnf n ALA 223 Ca 0.14 -0.90 -0.50 0.00 0.00 0.00 0.00 53.44 52.18 1nnf n ALA 223 Cb 0.14 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 1nnf n ALA 223 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1nnf n LEU 224 N 0.76 2.34 -4.46 0.00 7.94 -0.97 -4.24 117.00 118.37 1nnf n LEU 224 Ca 0.16 1.09 -0.33 0.00 -1.11 0.00 0.00 56.01 55.82 1nnf n LEU 224 Cb 0.49 -1.29 -0.13 0.00 0.53 0.00 0.00 43.42 43.02 1nnf n LEU 224 CO 0.13 -0.67 -0.43 -0.69 -1.11 0.00 0.00 177.39 174.62 1nnf s VAL 225 N 1.05 3.21 -0.16 1.96 1.01 -1.26 -1.45 120.40 124.75 1nnf s VAL 225 Ca 0.84 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1nnf s VAL 225 Cb -0.84 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1nnf s VAL 225 CO 0.45 0.56 0.06 -0.44 0.00 0.00 0.00 175.10 175.73 1nnf s SER 226 N -0.31 5.62 -0.17 3.32 0.01 0.13 -4.92 113.70 117.39 1nnf s SER 226 Ca 0.03 0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.38 1nnf s SER 226 Cb -0.13 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 1nnf s SER 226 CO 0.03 0.24 -0.02 -0.31 0.41 0.00 0.00 173.24 173.58 1nnf s TYR 227 N -0.01 3.05 0.51 2.43 1.51 -1.26 -0.68 117.35 122.90 1nnf s TYR 227 Ca 0.06 -0.32 -0.11 0.00 -1.01 0.00 0.00 57.07 55.69 1nnf s TYR 227 Cb -0.12 -2.00 -0.06 0.00 -0.11 0.00 0.00 41.96 39.67 1nnf s TYR 227 CO 0.01 -0.08 0.91 -1.12 -1.11 0.00 0.00 175.55 174.16 1nnf s SER 228 N 0.54 6.42 0.01 2.29 0.01 0.20 -0.34 113.70 122.83 1nnf s SER 228 Ca -0.02 1.31 -0.02 0.00 1.31 0.00 0.00 55.95 58.53 1nnf s SER 228 Cb -0.14 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 63.69 1nnf s SER 228 CO 0.02 -0.62 0.10 0.61 0.41 0.00 0.00 173.24 173.76 1nnf n GLY 229 N -1.97 1.11 3.16 3.44 0.00 -0.14 -0.40 105.19 110.38 1nnf n GLY 229 Ca 0.04 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1nnf n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnf s ALA 230 N -1.10 -0.22 -0.02 4.61 0.00 -0.32 -1.07 121.76 123.65 1nnf s ALA 230 Ca 0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1nnf s ALA 230 Cb -0.00 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.43 1nnf s ALA 230 CO 0.00 -0.37 0.23 0.00 0.00 0.00 0.00 175.76 175.63 1nnf s ALA 231 N -2.81 -0.58 -0.08 0.00 0.00 -0.36 -1.22 121.76 116.72 1nnf s ALA 231 Ca -0.03 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.96 1nnf s ALA 231 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1nnf s ALA 231 CO -0.05 -0.22 0.39 0.08 0.00 0.00 0.00 175.76 175.96 1nnf s VAL 232 N -1.17 5.16 0.10 0.00 1.01 -1.26 -0.68 120.40 123.56 1nnf s VAL 232 Ca -0.12 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1nnf s VAL 232 Cb -0.06 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 1nnf s VAL 232 CO 0.03 0.45 1.13 -0.76 0.00 0.00 0.00 175.10 175.95 1nnf s LEU 233 N -0.16 4.42 0.42 3.92 2.01 -0.48 -0.61 118.68 128.20 1nnf s LEU 233 Ca 0.22 2.00 0.09 0.00 0.01 0.00 0.00 54.13 56.45 1nnf s LEU 233 Cb -0.15 -3.59 0.93 0.00 0.01 0.00 0.00 46.19 43.39 1nnf s LEU 233 CO 0.10 -0.34 2.05 0.50 1.01 0.00 0.00 176.35 179.67 1nnf h LYS 234 N 6.11 0.47 0.00 1.70 3.64 -1.06 -1.71 116.57 125.72 1nnf h LYS 234 Ca -0.43 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1nnf h LYS 234 Cb 1.21 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1nnf h LYS 234 CO 0.77 0.31 0.00 0.00 -2.27 0.00 0.00 179.45 178.26 1nnf n ALA 235 N -2.49 2.22 -1.72 5.00 0.00 -1.26 -4.85 120.51 117.41 1nnf n ALA 235 Ca 0.04 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 1nnf n ALA 235 Cb 0.12 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 1nnf n ALA 235 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nnf n SER 236 N -1.46 3.55 -1.45 0.00 2.88 -0.64 -4.86 113.62 111.64 1nnf n SER 236 Ca 0.08 1.13 0.05 0.00 -1.33 0.00 0.00 58.87 58.79 1nnf n SER 236 Cb 0.29 -1.54 0.28 0.00 -0.75 0.00 0.00 64.21 62.49 1nnf n SER 236 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1nnf n LYS 237 N 2.51 3.65 -3.04 -1.46 4.76 -1.26 -4.06 118.16 119.26 1nnf n LYS 237 Ca 0.11 -2.19 -0.16 0.00 -2.87 0.00 0.00 58.31 53.20 1nnf n LYS 237 Cb 0.34 -2.00 -0.01 0.00 -1.84 0.00 0.00 35.03 31.52 1nnf n LYS 237 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1nnf n ASN 238 N 0.48 1.08 -0.34 4.39 2.85 -1.26 -4.94 115.26 117.51 1nnf n ASN 238 Ca 0.19 -2.95 0.01 0.00 -0.11 0.00 0.00 54.58 51.73 1nnf n ASN 238 Cb 0.89 -0.59 0.15 0.00 1.24 0.00 0.00 39.78 41.46 1nnf n ASN 238 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1nnf h GLN 239 N 3.00 1.07 -0.30 1.20 1.08 -1.94 -1.13 115.11 118.08 1nnf h GLN 239 Ca 0.05 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1nnf h GLN 239 Cb 1.02 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 1nnf h GLN 239 CO 0.51 0.71 0.17 0.00 -0.95 0.00 0.00 178.83 179.27 1nnf h ALA 240 N 1.42 0.39 0.00 3.87 0.00 -1.95 0.50 119.26 123.49 1nnf h ALA 240 Ca 0.40 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 55.05 1nnf h ALA 240 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nnf h ALA 240 CO -0.16 -0.09 -0.87 0.93 0.00 0.00 0.00 179.25 179.06 1nnf h GLU 241 N 0.38 0.15 -0.32 0.00 5.08 -1.94 -1.54 114.58 116.39 1nnf h GLU 241 Ca 0.11 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1nnf h GLU 241 Cb 0.05 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1nnf h GLU 241 CO -0.02 0.92 0.18 0.00 -1.00 0.00 0.00 179.01 179.09 1nnf h ALA 242 N 1.02 0.41 -0.61 3.43 0.00 -0.90 -0.94 119.26 121.67 1nnf h ALA 242 Ca -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1nnf h ALA 242 Cb 1.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1nnf h ALA 242 CO 0.13 -0.06 0.09 1.96 0.00 0.00 0.00 179.25 181.37 1nnf h GLN 243 N 0.40 1.00 -0.99 0.00 1.08 -0.91 -1.95 115.11 113.73 1nnf h GLN 243 Ca 0.11 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1nnf h GLN 243 Cb 0.06 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 1nnf h GLN 243 CO -0.02 0.92 0.65 0.87 -0.95 0.00 0.00 178.83 180.31 1nnf h LYS 244 N 0.94 1.28 -0.20 1.46 6.56 -0.92 0.88 116.57 126.57 1nnf h LYS 244 Ca 0.19 -0.08 -0.03 0.00 -1.06 0.00 0.00 60.65 59.67 1nnf h LYS 244 Cb 0.42 -0.29 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 1nnf h LYS 244 CO 0.01 0.85 -0.00 0.35 -2.06 0.00 0.00 179.45 178.59 1nnf h PHE 245 N 1.32 0.39 -0.71 -1.35 3.57 -0.78 -0.23 116.94 119.16 1nnf h PHE 245 Ca 0.37 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 1nnf h PHE 245 Cb -0.12 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1nnf h PHE 245 CO -0.00 0.56 0.25 0.28 -2.23 0.00 0.00 178.31 177.16 1nnf h VAL 246 N 0.11 1.25 -0.86 1.41 2.07 -1.07 -0.27 116.25 118.90 1nnf h VAL 246 Ca 0.06 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1nnf h VAL 246 Cb 0.40 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1nnf h VAL 246 CO 0.01 0.33 0.54 0.44 0.02 0.00 0.00 177.57 178.91 1nnf h ASP 247 N 1.03 0.86 -0.67 0.57 3.32 -0.73 -1.98 116.42 118.81 1nnf h ASP 247 Ca 0.23 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1nnf h ASP 247 Cb 0.27 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1nnf h ASP 247 CO -0.01 0.56 0.26 0.15 -1.72 0.00 0.00 179.24 178.49 1nnf h PHE 248 N 1.00 1.03 0.00 4.55 3.57 -0.23 -1.61 116.94 125.25 1nnf h PHE 248 Ca 0.36 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1nnf h PHE 248 Cb 0.12 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1nnf h PHE 248 CO -0.03 0.80 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.69 1nnf h LEU 249 N 0.95 0.00 -0.13 0.59 3.38 -0.34 -1.64 115.31 118.12 1nnf h LEU 249 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1nnf h LEU 249 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1nnf h LEU 249 CO -0.02 0.09 -0.47 0.00 0.09 0.00 0.00 178.44 178.13 1nnf n ALA 250 N -2.50 3.51 -1.64 1.53 0.00 -0.95 -3.68 120.51 116.77 1nnf n ALA 250 Ca -0.03 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 1nnf n ALA 250 Cb 0.17 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.56 1nnf n ALA 250 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nnf s SER 251 N -2.87 5.59 0.20 0.00 1.04 -0.63 -4.80 113.70 112.24 1nnf s SER 251 Ca 0.14 1.58 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 1nnf s SER 251 Cb 0.18 -2.49 0.27 0.00 0.10 0.00 0.00 66.02 64.08 1nnf s SER 251 CO 0.67 -1.30 1.71 0.50 0.98 0.00 0.00 173.24 175.80 1nnf h LYS 252 N -0.59 0.26 -0.51 4.02 3.64 -1.91 -0.30 116.57 121.18 1nnf h LYS 252 Ca -0.44 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1nnf h LYS 252 Cb 1.21 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1nnf h LYS 252 CO 0.58 0.18 0.27 0.87 -2.27 0.00 0.00 179.45 179.08 1nnf h LYS 253 N 0.27 0.72 -0.38 1.90 1.57 -1.93 -0.40 116.57 118.33 1nnf h LYS 253 Ca 0.30 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1nnf h LYS 253 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1nnf h LYS 253 CO -0.37 0.57 -0.22 0.78 -0.57 0.00 0.00 179.45 179.64 1nnf h GLY 254 N 0.68 0.81 1.17 3.86 0.00 -1.31 -1.91 103.07 106.36 1nnf h GLY 254 Ca 0.18 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1nnf h GLY 254 CO -0.03 0.62 -0.27 1.46 0.00 0.00 0.00 176.54 178.33 1nnf h GLN 255 N 0.65 0.94 -0.79 4.80 1.08 -0.90 -2.01 115.11 118.88 1nnf h GLN 255 Ca 0.09 -0.42 -0.01 0.00 -1.45 0.00 0.00 58.65 56.86 1nnf h GLN 255 Cb 0.72 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.09 1nnf h GLN 255 CO 0.06 1.09 0.46 0.93 -0.95 0.00 0.00 178.83 180.42 1nnf h GLU 256 N 0.80 1.08 -0.40 1.46 5.08 -0.90 -1.04 114.58 120.66 1nnf h GLU 256 Ca 0.09 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1nnf h GLU 256 Cb 0.84 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1nnf h GLU 256 CO 0.07 0.77 -0.03 0.00 -1.00 0.00 0.00 179.01 178.82 1nnf h ALA 257 N 1.41 0.54 -0.04 3.43 0.00 -1.11 -2.50 119.26 120.99 1nnf h ALA 257 Ca 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nnf h ALA 257 Cb -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1nnf h ALA 257 CO -0.05 0.35 0.02 1.25 0.00 0.00 0.00 179.25 180.82 1nnf h LEU 258 N 0.55 0.05 -1.33 0.00 7.12 -0.96 -2.97 115.31 117.77 1nnf h LEU 258 Ca 0.11 -0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 1nnf h LEU 258 Cb 0.52 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 1nnf h LEU 258 CO 0.03 0.12 -0.17 -0.37 -0.13 0.00 0.00 178.44 177.92 1nnf h VAL 259 N -0.02 0.46 0.00 1.05 -1.51 -1.16 -0.80 116.25 114.27 1nnf h VAL 259 Ca 0.02 -0.91 -0.11 0.00 -1.23 0.00 0.00 66.70 64.47 1nnf h VAL 259 Cb 0.08 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.87 1nnf h VAL 259 CO -0.00 0.17 -0.51 0.00 -1.23 0.00 0.00 177.57 175.99 1nnf h ALA 260 N 1.83 0.98 0.00 5.19 0.00 -1.39 -3.32 119.26 122.56 1nnf h ALA 260 Ca -0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 1nnf h ALA 260 Cb 0.63 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1nnf h ALA 260 CO 0.02 0.64 -1.64 0.00 0.00 0.00 0.00 179.25 178.27 1nnf h ALA 261 N 1.49 0.75 -2.67 0.00 0.00 -1.03 -3.48 119.26 114.32 1nnf h ALA 261 Ca -0.01 -1.37 -0.12 0.00 0.00 0.00 0.00 54.91 53.42 1nnf h ALA 261 Cb 1.01 0.44 -0.23 0.00 0.00 0.00 0.00 17.79 19.02 1nnf h ALA 261 CO 0.07 1.49 -0.24 0.50 0.00 0.00 0.00 179.25 181.07 1nnf s ARG 262 N -2.64 0.55 -0.19 0.00 3.52 -0.64 -4.69 118.95 114.86 1nnf s ARG 262 Ca -0.04 0.31 -0.06 0.00 -0.13 0.00 0.00 55.73 55.80 1nnf s ARG 262 Cb 0.08 0.26 -0.25 0.00 -1.56 0.00 0.00 34.95 33.48 1nnf s ARG 262 CO 0.82 -0.11 3.54 0.00 -0.81 0.00 0.00 175.30 178.75 1nnf n ALA 263 N 2.30 6.52 -2.55 6.12 0.00 -1.26 -4.32 120.51 127.32 1nnf n ALA 263 Ca -0.16 -2.04 -0.31 0.00 0.00 0.00 0.00 53.44 50.93 1nnf n ALA 263 Cb 0.57 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.53 1nnf n ALA 263 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nnf s GLU 264 N 1.10 3.68 -0.07 0.00 2.02 -1.26 -4.44 118.70 119.74 1nnf s GLU 264 Ca 0.67 0.05 -0.30 0.00 0.02 0.00 0.00 54.97 55.41 1nnf s GLU 264 Cb 0.30 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 1nnf s GLU 264 CO -0.01 0.34 1.22 0.71 0.02 0.00 0.00 175.26 177.54 1nnf s TYR 265 N -1.85 3.12 0.53 1.61 1.51 0.41 -4.80 117.35 117.89 1nnf s TYR 265 Ca 0.44 1.16 -0.20 0.00 -1.01 0.00 0.00 57.07 57.47 1nnf s TYR 265 Cb -0.11 -3.45 -0.06 0.00 -0.11 0.00 0.00 41.96 38.23 1nnf s TYR 265 CO 0.25 -1.43 1.11 -1.25 -1.11 0.00 0.00 175.55 173.12 1nnf s PRO 266 N 2.41 3.43 0.00 -1.71 0.04 -1.26 -1.22 135.00 136.68 1nnf s PRO 266 Ca 0.56 1.56 0.19 0.00 0.04 0.00 0.00 61.00 63.35 1nnf s PRO 266 Cb -0.25 -2.02 -0.19 0.00 0.04 0.00 0.00 34.50 32.08 1nnf s PRO 266 CO 0.21 -0.77 0.81 1.28 0.04 0.00 0.00 177.00 178.57 1nnf n LEU 267 N -1.26 0.96 -4.76 -3.56 4.77 -1.10 -4.57 117.00 107.48 1nnf n LEU 267 Ca 0.11 -0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 55.23 1nnf n LEU 267 Cb 0.51 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1nnf n LEU 267 CO 0.42 0.23 0.78 -0.13 -1.33 0.00 0.00 177.39 177.36 1nnf s ARG 268 N -2.73 2.80 0.00 3.23 0.52 -1.26 -4.48 118.95 117.02 1nnf s ARG 268 Ca 0.08 1.61 0.23 0.00 -0.52 0.00 0.00 55.73 57.13 1nnf s ARG 268 Cb 0.14 -1.93 0.48 0.00 0.52 0.00 0.00 34.95 34.16 1nnf s ARG 268 CO 0.75 -1.29 1.43 0.00 0.02 0.00 0.00 175.30 176.20 1nnf n ALA 269 N -2.09 2.45 -1.31 2.13 0.00 -1.26 -4.24 120.51 116.19 1nnf n ALA 269 Ca 0.12 -0.87 0.08 0.00 0.00 0.00 0.00 53.44 52.77 1nnf n ALA 269 Cb 0.51 -0.92 0.14 0.00 0.00 0.00 0.00 19.45 19.18 1nnf n ALA 269 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nnf n ASP 270 N 1.23 1.97 -4.09 0.00 5.75 -1.26 -5.23 116.55 114.91 1nnf n ASP 270 Ca 0.18 -3.15 -0.29 0.00 -0.01 0.00 0.00 54.79 51.53 1nnf n ASP 270 Cb 0.55 -0.43 -0.17 0.00 -1.03 0.00 0.00 41.12 40.04 1nnf n ASP 270 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nnf s VAL 271 N -2.63 1.61 -0.09 2.12 1.01 -1.26 -5.08 120.40 116.08 1nnf s VAL 271 Ca 0.31 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1nnf s VAL 271 Cb 0.28 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1nnf s VAL 271 CO -0.00 0.46 -0.04 0.68 0.00 0.00 0.00 175.10 176.20 1nnf s VAL 272 N 0.79 3.90 0.14 2.92 -7.23 -1.26 -4.86 120.40 114.80 1nnf s VAL 272 Ca -0.10 -0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 59.38 1nnf s VAL 272 Cb -0.16 -2.63 -0.07 0.00 0.56 0.00 0.00 36.38 34.09 1nnf s VAL 272 CO 0.01 0.58 0.92 -0.55 -0.31 0.00 0.00 175.10 175.75 1nnf s SER 273 N -0.57 7.50 0.06 4.85 0.15 -1.26 -4.94 113.70 119.48 1nnf s SER 273 Ca 0.09 1.79 0.16 0.00 0.70 0.00 0.00 55.95 58.68 1nnf s SER 273 Cb -0.12 -2.57 0.68 0.00 -1.71 0.00 0.00 66.02 62.29 1nnf s SER 273 CO 0.02 0.02 1.50 -0.81 1.20 0.00 0.00 173.24 175.17 1nnf n PRO 274 N 2.36 0.04 0.00 5.44 -0.04 -1.26 -1.59 135.00 139.95 1nnf n PRO 274 Ca 0.00 0.30 0.14 0.00 -0.04 0.00 0.00 63.50 63.90 1nnf n PRO 274 Cb 0.49 -1.59 0.77 0.00 -0.04 0.00 0.00 33.50 33.13 1nnf n PRO 274 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1nnf n PHE 275 N -1.67 0.00 -3.05 0.54 3.01 -1.26 -4.93 117.46 110.11 1nnf n PHE 275 Ca 0.03 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.35 1nnf n PHE 275 Cb 0.17 -0.19 0.04 0.00 -0.01 0.00 0.00 39.48 39.50 1nnf n PHE 275 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1nnf n ASN 276 N -1.19 -4.48 -4.78 4.37 5.15 -0.62 -4.91 115.26 108.80 1nnf n ASN 276 Ca 0.16 -0.28 -0.35 0.00 -0.60 0.00 0.00 54.58 53.52 1nnf n ASN 276 Cb 0.18 -3.12 0.00 0.00 -0.53 0.00 0.00 39.78 36.31 1nnf n ASN 276 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nnf s LEU 277 N -4.54 3.72 0.75 1.20 1.43 -1.26 -5.04 118.68 114.93 1nnf s LEU 277 Ca 0.31 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.41 1nnf s LEU 277 Cb -0.14 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.56 1nnf s LEU 277 CO 0.38 -1.19 1.08 -1.61 0.23 0.00 0.00 176.35 175.25 1nnf s GLU 278 N -3.39 2.44 0.44 1.70 2.02 -1.26 -4.74 118.70 115.91 1nnf s GLU 278 Ca 0.71 1.12 -0.26 0.00 0.02 0.00 0.00 54.97 56.56 1nnf s GLU 278 Cb -0.22 -1.92 -0.08 0.00 0.10 0.00 0.00 34.13 32.00 1nnf s GLU 278 CO 0.28 -1.50 1.40 -2.14 0.02 0.00 0.00 175.26 173.32 1nnf s PRO 279 N -4.93 3.78 0.28 0.39 0.02 -1.26 -4.90 135.00 128.38 1nnf s PRO 279 Ca 0.60 2.36 0.02 0.00 0.02 0.00 0.00 61.00 64.00 1nnf s PRO 279 Cb -0.16 -2.70 0.67 0.00 0.02 0.00 0.00 34.50 32.34 1nnf s PRO 279 CO 0.56 -0.72 1.70 -0.92 -0.33 0.00 0.00 177.00 177.28 1nnf h TYR 280 N 2.45 0.58 0.00 6.54 3.20 -1.94 -0.70 116.97 127.10 1nnf h TYR 280 Ca -0.51 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 1nnf h TYR 280 Cb 1.26 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 1nnf h TYR 280 CO 0.51 -0.05 -0.05 1.05 -1.64 0.00 0.00 178.16 177.98 1nnf h GLU 281 N 0.38 0.00 0.00 1.82 4.11 -1.92 -1.42 114.58 117.55 1nnf h GLU 281 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.96 1nnf h GLU 281 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1nnf h GLU 281 CO -0.52 0.05 0.00 0.87 0.07 0.00 0.00 179.01 179.47 1nnf h LYS 282 N 0.00 0.00 0.00 1.06 1.57 -1.48 -2.91 116.57 114.81 1nnf h LYS 282 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1nnf h LYS 282 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1nnf h LYS 282 CO 0.01 0.00 -0.38 -0.07 -0.57 0.00 0.00 179.45 178.44 1nnf h LEU 283 N 0.00 0.00 -2.02 2.94 3.38 -1.32 -3.47 115.31 114.81 1nnf h LEU 283 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1nnf h LEU 283 Cb 0.53 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.35 1nnf h LEU 283 CO 0.00 0.38 -0.85 -0.62 0.09 0.00 0.00 178.44 177.44 1nnf n GLU 284 N -4.04 -4.19 -1.96 1.13 1.02 -1.10 -4.07 120.64 107.43 1nnf n GLU 284 Ca -0.02 0.61 -0.39 0.00 -0.02 0.00 0.00 57.16 57.35 1nnf n GLU 284 Cb 0.42 -5.08 0.01 0.00 -0.02 0.00 0.00 31.44 26.77 1nnf n GLU 284 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nnf s ALA 285 N -3.63 3.06 0.71 0.62 0.00 -1.26 -0.43 121.76 120.82 1nnf s ALA 285 Ca 0.10 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 1nnf s ALA 285 Cb -0.03 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1nnf s ALA 285 CO 0.81 -1.04 1.08 -1.25 0.00 0.00 0.00 175.76 175.37 1nnf s PRO 286 N -2.58 2.67 -0.28 0.00 0.04 -1.26 -4.67 135.00 128.90 1nnf s PRO 286 Ca 0.64 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.68 1nnf s PRO 286 Cb -0.38 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 1nnf s PRO 286 CO 0.47 -1.33 0.45 0.08 0.04 0.00 0.00 177.00 176.72 1nnf s VAL 287 N -2.77 5.10 -0.02 -0.36 1.01 -1.26 -4.79 120.40 117.32 1nnf s VAL 287 Ca 0.62 0.62 0.02 0.00 0.00 0.00 0.00 61.98 63.24 1nnf s VAL 287 Cb -0.17 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1nnf s VAL 287 CO 0.50 0.05 -0.07 -0.69 0.00 0.00 0.00 175.10 174.89 1nnf s VAL 288 N 2.22 0.64 0.81 2.92 1.01 -1.26 -5.07 120.40 121.68 1nnf s VAL 288 Ca 0.18 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1nnf s VAL 288 Cb -0.16 -0.57 0.09 0.00 0.00 0.00 0.00 36.38 35.74 1nnf s VAL 288 CO 0.10 0.20 1.19 -0.94 0.00 0.00 0.00 175.10 175.65 1nnf s SER 289 N 0.12 3.61 0.44 3.32 1.04 -1.26 -4.93 113.70 116.05 1nnf s SER 289 Ca -0.01 2.29 -0.25 0.00 0.48 0.00 0.00 55.95 58.45 1nnf s SER 289 Cb -0.07 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.39 1nnf s SER 289 CO 0.00 -2.65 1.39 0.00 0.98 0.00 0.00 173.24 172.96 1nnf s ALA 290 N -2.28 3.22 0.11 5.32 0.00 -1.26 -4.95 121.76 121.93 1nnf s ALA 290 Ca 0.71 1.39 -0.31 0.00 0.00 0.00 0.00 51.96 53.75 1nnf s ALA 290 Cb -0.27 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.22 1nnf s ALA 290 CO 0.51 -1.09 1.34 0.99 0.00 0.00 0.00 175.76 177.51 1nnf s THR 291 N -1.23 3.46 0.41 0.00 2.01 -1.26 -5.03 115.64 113.99 1nnf s THR 291 Ca 0.60 1.05 0.08 0.00 0.31 0.00 0.00 61.69 63.73 1nnf s THR 291 Cb -0.42 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 1nnf s THR 291 CO 0.53 0.09 0.36 0.42 -0.69 0.00 0.00 174.62 175.33 1nnf s THR 292 N 1.04 2.75 0.24 -0.82 -4.23 -1.26 -4.77 115.64 108.58 1nnf s THR 292 Ca 0.63 -1.36 -0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1nnf s THR 292 Cb -0.35 -3.02 0.22 0.00 1.34 0.00 0.00 72.50 70.69 1nnf s THR 292 CO 0.30 -0.02 1.88 0.00 -0.54 0.00 0.00 174.62 176.25 1nnf h ALA 293 N 1.06 1.17 -0.75 3.99 0.00 -1.98 -1.40 119.26 121.37 1nnf h ALA 293 Ca -0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1nnf h ALA 293 Cb 1.26 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1nnf h ALA 293 CO 0.58 0.43 0.43 0.37 0.00 0.00 0.00 179.25 181.05 1nnf h GLN 294 N 1.12 1.03 -0.51 0.00 4.15 -1.99 -0.57 115.11 118.34 1nnf h GLN 294 Ca 0.35 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.69 1nnf h GLN 294 Cb 0.00 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 1nnf h GLN 294 CO -0.12 0.75 0.31 -0.44 -1.93 0.00 0.00 178.83 177.40 1nnf h ASP 295 N 1.02 0.50 -0.56 -0.69 3.32 -1.76 -1.34 116.42 116.92 1nnf h ASP 295 Ca 0.26 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1nnf h ASP 295 Cb 0.00 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1nnf h ASP 295 CO -0.05 0.36 0.16 0.11 -1.72 0.00 0.00 179.24 178.10 1nnf h LYS 296 N 0.61 0.88 -0.90 3.56 1.57 -0.78 -1.03 116.57 120.48 1nnf h LYS 296 Ca 0.20 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1nnf h LYS 296 Cb 0.01 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1nnf h LYS 296 CO -0.09 0.81 0.60 0.93 -0.57 0.00 0.00 179.45 181.13 1nnf h GLU 297 N 0.79 1.18 -0.49 3.15 5.08 -0.78 0.47 114.58 123.98 1nnf h GLU 297 Ca 0.18 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1nnf h GLU 297 Cb 0.30 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1nnf h GLU 297 CO -0.00 0.78 -0.01 1.25 -1.00 0.00 0.00 179.01 180.03 1nnf h HIS 298 N 1.21 0.94 -0.62 4.33 2.76 -0.96 -1.86 115.15 120.95 1nnf h HIS 298 Ca 0.33 -0.17 -0.09 0.00 -2.20 0.00 0.00 60.37 58.25 1nnf h HIS 298 Cb -0.13 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.56 1nnf h HIS 298 CO -0.01 0.89 0.03 0.00 -1.30 0.00 0.00 177.93 177.54 1nnf h ALA 299 N 0.93 0.88 -0.84 5.26 0.00 -0.68 -1.42 119.26 123.39 1nnf h ALA 299 Ca 0.14 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1nnf h ALA 299 Cb 0.52 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1nnf h ALA 299 CO 0.03 0.67 0.55 0.82 0.00 0.00 0.00 179.25 181.31 1nnf h ILE 300 N 0.98 1.22 -0.83 0.00 2.04 -0.79 -0.81 117.51 119.32 1nnf h ILE 300 Ca 0.18 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1nnf h ILE 300 Cb 0.53 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1nnf h ILE 300 CO 0.03 0.21 0.42 0.11 0.00 0.00 0.00 178.15 178.92 1nnf h LYS 301 N 1.14 1.19 -0.65 2.37 1.79 -0.83 -1.54 116.57 120.04 1nnf h LYS 301 Ca 0.31 -0.16 -0.06 0.00 -2.18 0.00 0.00 60.65 58.56 1nnf h LYS 301 Cb -0.12 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.28 1nnf h LYS 301 CO -0.06 0.90 0.19 -0.07 -1.08 0.00 0.00 179.45 179.32 1nnf h LEU 302 N 1.18 0.96 -0.82 2.94 3.38 -0.67 0.05 115.31 122.33 1nnf h LEU 302 Ca 0.29 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1nnf h LEU 302 Cb 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1nnf h LEU 302 CO -0.04 0.92 0.54 0.40 0.09 0.00 0.00 178.44 180.35 1nnf h ILE 303 N 0.95 1.17 -0.37 1.22 2.04 -0.78 -0.51 117.51 121.23 1nnf h ILE 303 Ca 0.21 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 1nnf h ILE 303 Cb 0.32 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1nnf h ILE 303 CO -0.00 0.20 -0.12 -0.08 0.00 0.00 0.00 178.15 178.14 1nnf h GLU 304 N 1.07 0.73 -0.26 2.37 4.22 -0.99 -1.63 114.58 120.10 1nnf h GLU 304 Ca 0.31 -0.29 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 1nnf h GLU 304 Cb -0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1nnf h GLU 304 CO -0.09 0.89 0.07 1.49 -2.18 0.00 0.00 179.01 179.20 1nnf h GLU 305 N 0.53 0.36 0.00 1.92 4.81 -0.54 -1.31 114.58 120.35 1nnf h GLU 305 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1nnf h GLU 305 Cb 0.64 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1nnf h GLU 305 CO 0.04 0.33 0.00 0.00 -0.73 0.00 0.00 179.01 178.65 1nnf n ALA 306 N -2.49 2.13 -0.37 2.92 0.00 -0.24 -4.88 120.51 117.59 1nnf n ALA 306 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1nnf n ALA 306 Cb 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1nnf n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnf n GLY 307 N 0.86 0.81 0.88 0.00 0.00 -0.49 -5.23 105.19 102.01 1nnf n GLY 307 Ca 0.08 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1nnf n GLY 307 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36