#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fiu n GLN 2 N 0.00 0.26 -1.68 2.12 -0.06 -1.26 -4.83 117.38 111.93 1fiu n GLN 2 Ca 0.00 0.11 -0.41 0.00 -2.00 0.00 0.00 57.00 54.70 1fiu n GLN 2 Cb 0.00 -0.94 0.02 0.00 -4.06 0.00 0.00 30.24 25.26 1fiu n GLN 2 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1fiu n PRO 3 N -3.70 1.70 -0.05 3.69 -0.04 -1.26 -4.75 135.00 130.58 1fiu n PRO 3 Ca -0.18 0.61 0.10 0.00 -0.04 0.00 0.00 63.50 63.99 1fiu n PRO 3 Cb 0.51 -2.31 0.49 0.00 -0.04 0.00 0.00 33.50 32.16 1fiu n PRO 3 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1fiu h LEU 4 N 1.79 0.37 -1.07 1.53 3.38 -1.99 -0.53 115.31 118.79 1fiu h LEU 4 Ca -0.47 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 1fiu h LEU 4 Cb 1.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1fiu h LEU 4 CO 0.58 0.23 -0.35 -0.26 0.09 0.00 0.00 178.44 178.74 1fiu h PHE 5 N 0.42 0.00 -0.15 1.13 0.05 -1.99 0.81 116.94 117.21 1fiu h PHE 5 Ca 0.24 0.00 -0.19 0.00 3.82 0.00 0.00 57.97 61.84 1fiu h PHE 5 Cb 0.40 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.36 1fiu h PHE 5 CO -0.00 0.35 -0.66 1.15 -0.18 0.00 0.00 178.31 178.97 1fiu h THR 6 N 0.00 1.31 -0.71 -1.55 2.02 -1.47 -1.12 112.91 111.39 1fiu h THR 6 Ca -0.00 -1.89 -0.05 0.00 0.77 0.00 0.00 66.41 65.24 1fiu h THR 6 Cb 0.82 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 1fiu h THR 6 CO 0.04 0.59 0.26 1.56 0.37 0.00 0.00 175.52 178.34 1fiu h GLN 7 N 0.41 1.07 -0.69 6.66 4.20 -0.94 -1.69 115.11 124.13 1fiu h GLN 7 Ca -0.04 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.38 1fiu h GLN 7 Cb 1.29 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 1fiu h GLN 7 CO 0.14 0.90 0.14 0.93 -0.67 0.00 0.00 178.83 180.27 1fiu h GLU 8 N 1.02 1.13 -0.83 1.46 4.39 -0.75 -1.04 114.58 119.96 1fiu h GLU 8 Ca 0.23 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1fiu h GLU 8 Cb 0.25 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1fiu h GLU 8 CO -0.01 1.01 0.47 -0.09 -1.16 0.00 0.00 179.01 179.23 1fiu h ARG 9 N 1.06 1.15 -0.44 2.33 2.43 -0.90 -0.82 114.38 119.18 1fiu h ARG 9 Ca 0.21 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.15 1fiu h ARG 9 Cb 0.42 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1fiu h ARG 9 CO 0.01 0.83 -0.16 -0.09 -1.51 0.00 0.00 179.97 179.05 1fiu h ARG 10 N 1.15 0.84 -0.56 0.20 9.65 -0.86 -1.82 114.38 122.99 1fiu h ARG 10 Ca 0.29 -0.32 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1fiu h ARG 10 Cb 0.00 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 1fiu h ARG 10 CO -0.05 0.95 0.29 0.82 2.80 0.00 0.00 179.97 184.78 1fiu h ILE 11 N 0.75 1.19 -0.04 1.20 2.04 -0.84 0.46 117.51 122.28 1fiu h ILE 11 Ca 0.11 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1fiu h ILE 11 Cb 0.68 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1fiu h ILE 11 CO 0.05 0.21 -0.13 0.15 0.00 0.00 0.00 178.15 178.44 1fiu h PHE 12 N 0.76 -0.32 -0.74 1.37 3.57 -0.91 -0.80 116.94 119.87 1fiu h PHE 12 Ca 0.20 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1fiu h PHE 12 Cb 0.08 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1fiu h PHE 12 CO -0.01 -0.19 0.35 0.45 -2.23 0.00 0.00 178.31 176.69 1fiu h HIS 13 N -0.19 1.07 -0.46 0.41 3.86 -1.08 -2.63 115.15 116.11 1fiu h HIS 13 Ca 0.06 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1fiu h HIS 13 Cb 0.27 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1fiu h HIS 13 CO -0.20 0.79 0.26 -0.22 0.86 0.00 0.00 177.93 179.41 1fiu h LYS 14 N 1.04 0.62 -0.45 2.45 3.64 -0.40 -1.68 116.57 121.79 1fiu h LYS 14 Ca 0.25 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1fiu h LYS 14 Cb 0.12 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1fiu h LYS 14 CO -0.03 0.45 -0.07 0.87 -2.27 0.00 0.00 179.45 178.40 1fiu h LYS 15 N 0.63 0.79 -0.23 1.90 1.57 -0.80 0.19 116.57 120.61 1fiu h LYS 15 Ca 0.17 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1fiu h LYS 15 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1fiu h LYS 15 CO -0.03 0.84 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.30 1fiu h LEU 16 N 0.72 0.50 -0.00 2.94 3.38 -1.10 -2.00 115.31 119.75 1fiu h LEU 16 Ca 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1fiu h LEU 16 Cb 0.54 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1fiu h LEU 16 CO 0.03 0.80 -0.21 -0.07 0.09 0.00 0.00 178.44 179.07 1fiu h LEU 17 N 0.42 0.19 -1.84 1.67 3.38 -1.00 -0.40 115.31 117.73 1fiu h LEU 17 Ca 0.05 -0.78 -0.01 0.00 0.09 0.00 0.00 57.88 57.23 1fiu h LEU 17 Cb 0.77 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1fiu h LEU 17 CO 0.06 0.95 0.04 0.44 0.09 0.00 0.00 178.44 180.01 1fiu h ASP 18 N -0.55 0.12 -0.13 -0.43 3.32 -0.62 -0.84 116.42 117.29 1fiu h ASP 18 Ca -0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1fiu h ASP 18 Cb 0.98 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1fiu h ASP 18 CO 0.04 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 1fiu n GLY 19 N -1.44 0.17 2.46 2.75 0.00 -0.76 -4.91 105.19 103.47 1fiu n GLY 19 Ca -0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 1fiu n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fiu n ASN 20 N 0.24 -4.99 -0.05 1.61 5.03 -0.32 -4.87 115.26 111.92 1fiu n ASN 20 Ca 0.17 0.36 -0.14 0.00 0.87 0.00 0.00 54.58 55.83 1fiu n ASN 20 Cb 0.32 -3.96 -0.08 0.00 -1.02 0.00 0.00 39.78 35.04 1fiu n ASN 20 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1fiu h ILE 21 N 0.00 1.37 -3.62 2.41 1.08 -1.34 -3.39 117.51 114.02 1fiu h ILE 21 Ca -0.35 -1.60 -0.70 0.00 -0.39 0.00 0.00 64.86 61.83 1fiu h ILE 21 Cb 1.11 2.05 -0.26 0.00 -3.07 0.00 0.00 36.82 36.65 1fiu h ILE 21 CO 0.49 0.48 -0.56 -0.22 -0.69 0.00 0.00 178.15 177.65 1fiu s LEU 22 N -8.81 4.40 0.33 1.44 2.96 -0.53 -4.76 118.68 113.71 1fiu s LEU 22 Ca -0.13 -0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 52.71 1fiu s LEU 22 Cb 0.05 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1fiu s LEU 22 CO 0.79 -0.32 0.63 0.00 -1.32 0.00 0.00 176.35 176.14 1fiu s ALA 23 N 1.50 -0.28 -0.08 5.97 0.00 -1.26 -4.43 121.76 123.18 1fiu s ALA 23 Ca 0.01 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.09 1fiu s ALA 23 Cb -0.19 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1fiu s ALA 23 CO 0.05 -0.91 -0.24 0.99 0.00 0.00 0.00 175.76 175.64 1fiu s THR 24 N -3.05 2.06 0.69 0.00 2.01 -0.93 -0.15 115.64 116.27 1fiu s THR 24 Ca 0.20 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 1fiu s THR 24 Cb -0.03 -1.76 0.15 0.00 0.01 0.00 0.00 72.50 70.87 1fiu s THR 24 CO 0.13 0.56 0.94 -0.46 -0.69 0.00 0.00 174.62 175.11 1fiu n ASN 25 N 3.27 0.62 0.24 3.53 0.23 -0.52 -1.81 115.26 120.82 1fiu n ASN 25 Ca -0.18 -1.68 0.13 0.00 -0.53 0.00 0.00 54.58 52.32 1fiu n ASN 25 Cb 0.53 -0.67 0.76 0.00 -2.08 0.00 0.00 39.78 38.32 1fiu n ASN 25 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1fiu h ASN 26 N -0.93 0.00 -0.32 0.53 -0.26 -1.90 -0.83 115.58 111.87 1fiu h ASN 26 Ca -0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 1fiu h ASN 26 Cb 0.98 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 1fiu h ASN 26 CO 0.27 0.00 0.00 0.54 -1.06 0.00 0.00 177.43 177.18 1fiu n ARG 27 N -4.19 1.74 -1.02 0.81 1.74 -1.26 -4.91 116.66 109.57 1fiu n ARG 27 Ca -0.01 -1.15 -0.01 0.00 -0.77 0.00 0.00 57.85 55.92 1fiu n ARG 27 Cb 0.18 -1.25 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1fiu n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fiu n GLY 28 N 1.01 0.45 3.66 -0.13 0.00 -0.32 -5.01 105.19 104.85 1fiu n GLY 28 Ca 0.11 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1fiu n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fiu s VAL 29 N -1.87 5.08 0.45 1.61 1.01 -1.26 -4.82 120.40 120.61 1fiu s VAL 29 Ca 0.00 0.99 -0.22 0.00 0.00 0.00 0.00 61.98 62.75 1fiu s VAL 29 Cb 0.00 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 1fiu s VAL 29 CO 0.00 0.15 1.05 -0.69 0.00 0.00 0.00 175.10 175.61 1fiu s VAL 30 N 1.79 3.70 -1.24 2.92 1.01 -1.26 -1.44 120.40 125.88 1fiu s VAL 30 Ca 0.25 1.17 0.06 0.00 0.00 0.00 0.00 61.98 63.45 1fiu s VAL 30 Cb -0.15 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.76 1fiu s VAL 30 CO 0.10 -0.12 1.10 -1.54 0.00 0.00 0.00 175.10 174.63 1fiu n SER 31 N -0.58 0.00 -0.65 3.32 3.41 0.79 -1.09 113.62 118.82 1fiu n SER 31 Ca 0.07 0.34 0.06 0.00 -0.26 0.00 0.00 58.87 59.08 1fiu n SER 31 Cb 0.51 -0.38 0.15 0.00 -0.26 0.00 0.00 64.21 64.22 1fiu n SER 31 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1fiu n ASN 32 N -1.38 2.85 -4.95 4.04 6.94 -1.26 -4.98 115.26 116.52 1fiu n ASN 32 Ca 0.02 -1.93 -0.20 0.00 -0.02 0.00 0.00 54.58 52.45 1fiu n ASN 32 Cb 0.05 -0.21 -0.02 0.00 -2.36 0.00 0.00 39.78 37.25 1fiu n ASN 32 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1fiu s ALA 33 N -1.00 4.06 -0.44 -2.53 0.00 -0.25 -4.31 121.76 117.28 1fiu s ALA 33 Ca 0.23 -1.44 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1fiu s ALA 33 Cb 0.12 -1.57 0.11 0.00 0.00 0.00 0.00 23.12 21.78 1fiu s ALA 33 CO 0.16 0.05 0.29 0.34 0.00 0.00 0.00 175.76 176.60 1fiu s ASP 34 N -4.08 5.55 0.63 0.00 2.15 -1.26 -4.89 116.67 114.78 1fiu s ASP 34 Ca 0.41 -1.86 0.30 0.00 0.43 0.00 0.00 52.55 51.83 1fiu s ASP 34 Cb -0.09 -1.95 1.65 0.00 -0.30 0.00 0.00 42.92 42.23 1fiu s ASP 34 CO 0.29 -0.62 1.98 1.23 -0.17 0.00 0.00 175.17 177.88 1fiu h GLY 35 N 8.33 0.00 1.39 2.66 0.00 -1.95 -0.53 103.07 112.96 1fiu h GLY 35 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1fiu h GLY 35 CO 0.79 0.00 -0.11 -1.14 0.00 0.00 0.00 176.54 176.09 1fiu n SER 36 N -3.29 0.23 -4.27 0.19 3.41 -1.26 -4.68 113.62 103.95 1fiu n SER 36 Ca 0.01 -0.12 -0.38 0.00 -0.26 0.00 0.00 58.87 58.13 1fiu n SER 36 Cb 0.43 -0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 1fiu n SER 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1fiu s ASN 37 N -2.72 5.35 0.24 4.04 3.84 -0.21 -5.00 114.94 120.48 1fiu s ASN 37 Ca 0.22 -1.21 -0.05 0.00 0.21 0.00 0.00 52.86 52.02 1fiu s ASN 37 Cb 0.19 -1.88 0.37 0.00 -0.55 0.00 0.00 41.25 39.39 1fiu s ASN 37 CO 0.52 -0.36 1.79 0.74 -2.79 0.00 0.00 177.10 177.00 1fiu h THR 38 N 6.17 0.86 -0.45 -5.21 2.02 -1.83 -0.35 112.91 114.11 1fiu h THR 38 Ca -0.23 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 1fiu h THR 38 Cb 1.08 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1fiu h THR 38 CO 0.62 0.12 -0.04 0.03 0.37 0.00 0.00 175.52 176.62 1fiu h ARG 39 N 0.66 0.82 -0.29 6.66 3.08 -1.94 -1.51 114.38 121.86 1fiu h ARG 39 Ca 0.38 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1fiu h ARG 39 Cb 0.39 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1fiu h ARG 39 CO -0.27 0.90 0.19 1.03 -1.07 0.00 0.00 179.97 180.75 1fiu h SER 40 N 0.66 0.32 -0.02 7.04 0.87 -1.64 0.54 113.55 121.32 1fiu h SER 40 Ca 0.12 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1fiu h SER 40 Cb 0.55 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1fiu h SER 40 CO 0.03 0.23 -0.10 0.15 -0.53 0.00 0.00 176.83 176.61 1fiu h PHE 41 N 0.39 -0.26 -0.24 2.24 3.57 -0.97 -0.75 116.94 120.92 1fiu h PHE 41 Ca 0.11 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.44 1fiu h PHE 41 Cb -0.03 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1fiu h PHE 41 CO -0.06 -0.16 -0.56 -0.91 -2.23 0.00 0.00 178.31 174.39 1fiu h ASN 42 N -0.16 0.82 -0.15 0.41 2.35 -1.11 -2.29 115.58 115.45 1fiu h ASN 42 Ca 0.05 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 1fiu h ASN 42 Cb 0.23 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1fiu h ASN 42 CO -0.12 1.21 0.01 0.40 -1.65 0.00 0.00 177.43 177.28 1fiu h ILE 43 N 0.56 1.24 -0.99 2.81 2.04 -0.81 -1.87 117.51 120.48 1fiu h ILE 43 Ca 0.01 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1fiu h ILE 43 Cb 1.15 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.64 1fiu h ILE 43 CO 0.12 0.23 0.65 0.00 0.00 0.00 0.00 178.15 179.14 1fiu h ALA 44 N 0.78 1.28 -0.49 1.87 0.00 -1.14 -0.98 119.26 120.57 1fiu h ALA 44 Ca 0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1fiu h ALA 44 Cb 0.34 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1fiu h ALA 44 CO 0.01 0.66 -0.20 -0.22 0.00 0.00 0.00 179.25 179.50 1fiu h LYS 45 N 1.35 1.01 -0.55 0.00 1.63 -1.34 -1.36 116.57 117.31 1fiu h LYS 45 Ca 0.36 -0.42 0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1fiu h LYS 45 Cb -0.14 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 1fiu h LYS 45 CO -0.08 1.10 0.34 0.78 -3.45 0.00 0.00 179.45 178.15 1fiu h GLY 46 N 0.87 0.77 0.96 5.01 0.00 -0.86 -0.23 103.07 109.58 1fiu h GLY 46 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1fiu h GLY 46 CO 0.06 0.23 0.19 -2.22 0.00 0.00 0.00 176.54 174.80 1fiu h ILE 47 N 0.68 1.16 -0.87 2.60 2.04 -1.04 -1.38 117.51 120.70 1fiu h ILE 47 Ca 0.21 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1fiu h ILE 47 Cb -0.01 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1fiu h ILE 47 CO -0.08 0.16 0.57 0.00 0.00 0.00 0.00 178.15 178.81 1fiu h ALA 48 N 1.04 1.42 -0.48 1.87 0.00 -0.90 -0.27 119.26 121.94 1fiu h ALA 48 Ca 0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1fiu h ALA 48 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1fiu h ALA 48 CO -0.02 0.52 -0.03 -0.44 0.00 0.00 0.00 179.25 179.28 1fiu h ASP 49 N 1.13 0.86 0.90 0.00 3.32 -0.71 -0.30 116.42 121.62 1fiu h ASP 49 Ca 0.33 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1fiu h ASP 49 Cb -0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.26 1fiu h ASP 49 CO -0.09 0.98 0.00 -0.07 -1.72 0.00 0.00 179.24 178.34 1fiu h LEU 50 N 0.73 0.00 -1.30 1.55 3.38 -0.28 -1.22 115.31 118.17 1fiu h LEU 50 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1fiu h LEU 50 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1fiu h LEU 50 CO 0.03 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.74 1fiu n LEU 51 N -3.00 1.95 -3.12 1.67 4.77 -0.21 -4.93 117.00 114.14 1fiu n LEU 51 Ca 0.00 -0.80 -0.21 0.00 -0.03 0.00 0.00 56.01 54.98 1fiu n LEU 51 Cb 0.27 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1fiu n LEU 51 CO 0.26 0.40 0.17 1.41 -1.33 0.00 0.00 177.39 178.30 1fiu n HIS 52 N 0.51 -2.39 -2.55 -1.77 8.25 -0.46 -4.96 115.22 111.85 1fiu n HIS 52 Ca 0.17 0.81 -0.41 0.00 -0.26 0.00 0.00 57.72 58.02 1fiu n HIS 52 Cb 0.38 -4.48 -0.04 0.00 1.12 0.00 0.00 29.99 26.98 1fiu n HIS 52 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fiu s SER 53 N -3.17 7.26 0.00 0.41 0.15 -0.18 -4.89 113.70 113.27 1fiu s SER 53 Ca 0.47 1.95 0.00 0.00 0.70 0.00 0.00 55.95 59.07 1fiu s SER 53 Cb -0.21 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1fiu s SER 53 CO 0.58 -0.29 0.10 -0.62 1.20 0.00 0.00 173.24 174.21 1fiu n GLU 54 N 3.19 1.99 -2.65 5.44 1.02 -1.26 -4.77 120.64 123.59 1fiu n GLU 54 Ca 0.05 -0.10 -0.40 0.00 -0.02 0.00 0.00 57.16 56.69 1fiu n GLU 54 Cb 0.47 -0.44 -0.05 0.00 -0.02 0.00 0.00 31.44 31.40 1fiu n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1fiu s THR 55 N -0.31 4.02 -0.13 2.62 2.01 -1.26 -5.00 115.64 117.58 1fiu s THR 55 Ca 0.00 1.89 -0.01 0.00 0.31 0.00 0.00 61.69 63.88 1fiu s THR 55 Cb 0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 1fiu s THR 55 CO 0.00 0.39 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.52 1fiu s VAL 56 N -0.75 3.24 -0.07 3.82 1.01 -1.26 -2.19 120.40 124.20 1fiu s VAL 56 Ca 0.44 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1fiu s VAL 56 Cb -0.27 -2.37 0.09 0.00 0.00 0.00 0.00 36.38 33.83 1fiu s VAL 56 CO 0.34 0.52 0.79 -0.55 0.00 0.00 0.00 175.10 176.20 1fiu s SER 57 N 0.27 -0.54 0.56 3.32 0.15 -0.75 -4.91 113.70 111.80 1fiu s SER 57 Ca -0.08 0.53 -0.17 0.00 0.70 0.00 0.00 55.95 56.93 1fiu s SER 57 Cb -0.15 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.57 1fiu s SER 57 CO 0.05 -0.55 1.06 -1.61 1.20 0.00 0.00 173.24 173.39 1fiu s GLU 58 N -1.44 3.43 0.26 5.44 0.41 -1.26 -3.29 118.70 122.25 1fiu s GLU 58 Ca -0.06 1.30 -0.31 0.00 -0.41 0.00 0.00 54.97 55.49 1fiu s GLU 58 Cb -0.00 -2.04 -0.13 0.00 -1.78 0.00 0.00 34.13 30.18 1fiu s GLU 58 CO 0.05 -0.73 1.52 -2.13 -0.49 0.00 0.00 175.26 173.48 1fiu n ARG 59 N -1.67 2.38 -1.94 1.61 0.63 -1.26 -4.96 116.66 111.44 1fiu n ARG 59 Ca 0.09 0.85 -0.32 0.00 -0.92 0.00 0.00 57.85 57.54 1fiu n ARG 59 Cb 0.52 -2.58 0.02 0.00 0.45 0.00 0.00 32.46 30.88 1fiu n ARG 59 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1fiu s LEU 60 N -0.02 3.43 0.52 6.15 1.43 -1.26 -4.97 118.68 123.96 1fiu s LEU 60 Ca 0.67 1.82 -0.22 0.00 -1.03 0.00 0.00 54.13 55.37 1fiu s LEU 60 Cb -0.58 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.05 1fiu s LEU 60 CO 0.47 -1.27 1.27 -2.65 0.23 0.00 0.00 176.35 174.41 1fiu n PRO 61 N -2.23 1.64 -0.02 1.29 -0.02 -1.26 -4.75 135.00 129.65 1fiu n PRO 61 Ca 0.09 0.60 0.09 0.00 -2.02 0.00 0.00 63.50 62.26 1fiu n PRO 61 Cb 0.53 -2.46 0.50 0.00 -0.02 0.00 0.00 33.50 32.05 1fiu n PRO 61 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1fiu h GLY 62 N 1.47 0.49 1.62 -1.23 0.00 -1.99 -0.16 103.07 103.27 1fiu h GLY 62 Ca -0.50 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 1fiu h GLY 62 CO 0.57 0.12 -0.15 1.46 0.00 0.00 0.00 176.54 178.54 1fiu h GLN 63 N 0.39 0.45 -0.01 4.80 7.50 -1.99 0.08 115.11 126.34 1fiu h GLN 63 Ca 0.21 -0.13 -0.01 0.00 0.50 0.00 0.00 58.65 59.22 1fiu h GLN 63 Cb 0.32 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.80 1fiu h GLN 63 CO -0.05 0.60 -0.02 1.15 -1.50 0.00 0.00 178.83 179.01 1fiu h THR 64 N 0.42 1.49 -0.50 -0.54 2.02 -1.40 -2.44 112.91 111.96 1fiu h THR 64 Ca 0.08 -1.47 -0.07 0.00 0.77 0.00 0.00 66.41 65.72 1fiu h THR 64 Cb 0.51 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 1fiu h THR 64 CO 0.03 0.38 0.01 0.77 0.37 0.00 0.00 175.52 177.09 1fiu h SER 65 N -0.59 0.80 -0.19 4.18 4.64 -1.29 -0.10 113.55 121.00 1fiu h SER 65 Ca -0.00 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.14 1fiu h SER 65 Cb 0.64 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1fiu h SER 65 CO 0.00 0.86 0.08 1.23 -0.87 0.00 0.00 176.83 178.13 1fiu h GLY 66 N 0.98 0.24 0.92 -0.77 0.00 -1.02 0.12 103.07 103.55 1fiu h GLY 66 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1fiu h GLY 66 CO 0.02 0.04 -0.05 -0.57 0.00 0.00 0.00 176.54 175.98 1fiu h ASN 67 N 0.18 0.64 -0.65 0.19 -1.24 -1.25 -2.41 115.58 111.03 1fiu h ASN 67 Ca 0.08 -0.34 -0.07 0.00 0.71 0.00 0.00 56.30 56.67 1fiu h ASN 67 Cb 0.03 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.88 1fiu h ASN 67 CO -0.07 0.83 0.14 0.00 -1.29 0.00 0.00 177.43 177.04 1fiu h ALA 68 N 0.83 0.86 -0.67 1.57 0.00 -0.87 -1.38 119.26 119.61 1fiu h ALA 68 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1fiu h ALA 68 Cb 0.54 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1fiu h ALA 68 CO 0.03 0.60 0.38 0.35 0.00 0.00 0.00 179.25 180.61 1fiu h PHE 69 N 0.98 0.90 -0.13 0.00 3.57 -0.73 -0.04 116.94 121.50 1fiu h PHE 69 Ca 0.20 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1fiu h PHE 69 Cb 0.39 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1fiu h PHE 69 CO 0.03 0.63 0.01 0.93 -2.23 0.00 0.00 178.31 177.68 1fiu h GLU 70 N 0.91 0.06 -0.41 1.11 5.08 -1.09 -0.85 114.58 119.38 1fiu h GLU 70 Ca 0.24 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1fiu h GLU 70 Cb 0.01 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1fiu h GLU 70 CO -0.04 0.04 0.24 0.00 -1.00 0.00 0.00 179.01 178.25 1fiu h ALA 71 N 1.10 0.52 -0.50 3.43 0.00 -0.77 -0.99 119.26 122.06 1fiu h ALA 71 Ca 0.06 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1fiu h ALA 71 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1fiu h ALA 71 CO -0.09 -0.09 -0.15 0.82 0.00 0.00 0.00 179.25 179.74 1fiu h ILE 72 N 0.48 1.27 -0.65 0.00 2.04 -0.90 -1.88 117.51 117.88 1fiu h ILE 72 Ca 0.17 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 1fiu h ILE 72 Cb 0.02 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1fiu h ILE 72 CO -0.08 0.45 0.30 0.00 0.00 0.00 0.00 178.15 178.82 1fiu h SER 74 N 0.90 0.78 -0.63 0.00 0.87 -0.88 -1.06 113.55 113.52 1fiu h SER 74 Ca 0.22 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.69 1fiu h SER 74 Cb 0.14 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1fiu h SER 74 CO -0.03 0.55 0.08 -0.33 -0.53 0.00 0.00 176.83 176.58 1fiu h GLU 75 N 0.92 1.08 -0.00 2.24 5.08 -1.11 -1.15 114.58 121.64 1fiu h GLU 75 Ca 0.27 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1fiu h GLU 75 Cb -0.06 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1fiu h GLU 75 CO -0.08 1.00 0.00 0.35 -1.00 0.00 0.00 179.01 179.29 1fiu h PHE 76 N 1.00 0.00 -0.54 4.33 3.57 -1.00 -1.37 116.94 122.93 1fiu h PHE 76 Ca 0.19 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1fiu h PHE 76 Cb 0.46 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1fiu h PHE 76 CO 0.03 0.15 0.33 0.28 -2.23 0.00 0.00 178.31 176.87 1fiu h VAL 77 N -0.15 1.06 -0.01 1.41 2.07 -1.07 -1.33 116.25 118.23 1fiu h VAL 77 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1fiu h VAL 77 Cb 0.15 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1fiu h VAL 77 CO -0.00 0.12 0.01 -0.61 0.02 0.00 0.00 177.57 177.11 1fiu h GLN 78 N 0.65 0.01 -0.21 1.57 -0.00 -1.09 -0.29 115.11 115.75 1fiu h GLN 78 Ca 0.22 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.86 1fiu h GLN 78 Cb 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.49 1fiu h GLN 78 CO -0.10 0.03 0.11 1.03 0.00 0.00 0.00 178.83 179.90 1fiu h SER 79 N -0.00 0.26 -0.20 -0.69 0.87 -1.04 -2.04 113.55 110.72 1fiu h SER 79 Ca 0.00 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.28 1fiu h SER 79 Cb 0.01 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1fiu h SER 79 CO -0.00 0.28 -0.61 0.00 -0.53 0.00 0.00 176.83 175.97 1fiu h ALA 80 N 0.99 0.34 -0.16 6.23 0.00 -1.24 -3.19 119.26 122.23 1fiu h ALA 80 Ca 0.07 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1fiu h ALA 80 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1fiu h ALA 80 CO -0.01 0.60 -0.18 0.35 0.00 0.00 0.00 179.25 180.01 1fiu h PHE 81 N 0.49 0.28 -0.40 0.00 3.57 -1.03 -2.34 116.94 117.51 1fiu h PHE 81 Ca -0.02 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.56 1fiu h PHE 81 Cb 1.23 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1fiu h PHE 81 CO 0.09 0.44 0.31 1.49 -2.23 0.00 0.00 178.31 178.41 1fiu h GLU 82 N 0.25 0.00 -0.00 1.11 4.81 -1.35 -0.46 114.58 118.93 1fiu h GLU 82 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1fiu h GLU 82 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1fiu h GLU 82 CO 0.03 0.00 -0.00 1.63 -0.73 0.00 0.00 179.01 179.94 1fiu n LYS 83 N -4.29 0.99 -0.55 1.92 5.02 -0.88 -3.65 118.16 116.73 1fiu n LYS 83 Ca 0.07 -0.05 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 1fiu n LYS 83 Cb 0.50 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.30 1fiu n LYS 83 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1fiu n LEU 84 N -0.96 4.30 -0.03 -0.35 4.77 -0.18 -4.64 117.00 119.91 1fiu n LEU 84 Ca 0.23 -2.98 0.19 0.00 -0.03 0.00 0.00 56.01 53.42 1fiu n LEU 84 Cb 0.13 -0.57 0.65 0.00 -2.33 0.00 0.00 43.42 41.30 1fiu n LEU 84 CO 0.18 0.67 1.19 -0.61 -1.33 0.00 0.00 177.39 177.49 1fiu h GLN 85 N 2.33 0.08 0.00 3.23 5.75 -1.71 -0.42 115.11 124.37 1fiu h GLN 85 Ca 0.00 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1fiu h GLN 85 Cb 1.56 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 30.08 1fiu h GLN 85 CO 0.28 0.05 -0.12 1.12 -2.65 0.00 0.00 178.83 177.52 1fiu h HIS 86 N 0.08 0.00 0.00 3.99 2.07 -1.92 -1.72 115.15 117.65 1fiu h HIS 86 Ca 0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.79 1fiu h HIS 86 Cb 0.95 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.93 1fiu h HIS 86 CO -0.00 0.12 -0.89 0.44 -3.07 0.00 0.00 177.93 174.52 1fiu n ILE 87 N -3.19 0.00 -2.93 6.12 -5.35 -0.46 -4.75 119.36 108.80 1fiu n ILE 87 Ca 0.02 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 1fiu n ILE 87 Cb 0.45 0.83 -0.00 0.00 -1.74 0.00 0.00 39.64 39.18 1fiu n ILE 87 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1fiu n ARG 88 N -1.48 0.66 -1.26 6.28 3.00 -0.29 -4.98 116.66 118.58 1fiu n ARG 88 Ca 0.02 -2.31 -0.32 0.00 -0.00 0.00 0.00 57.85 55.24 1fiu n ARG 88 Cb 0.26 -1.42 0.10 0.00 0.00 0.00 0.00 32.46 31.40 1fiu n ARG 88 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1fiu s PRO 89 N 0.19 2.03 0.00 -0.14 0.04 -0.65 -4.44 135.00 132.03 1fiu s PRO 89 Ca 0.32 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1fiu s PRO 89 Cb 0.15 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1fiu s PRO 89 CO -0.17 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1fiu n GLY 90 N -0.36 2.36 3.34 0.56 0.00 -1.26 -5.01 105.19 104.81 1fiu n GLY 90 Ca 0.11 -1.40 -0.46 0.00 0.00 0.00 0.00 46.02 44.27 1fiu n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fiu s ASP 91 N 0.00 6.64 0.06 1.61 2.15 -1.26 -5.04 116.67 120.82 1fiu s ASP 91 Ca 0.00 -2.45 -0.05 0.00 0.43 0.00 0.00 52.55 50.49 1fiu s ASP 91 Cb 0.00 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.34 1fiu s ASP 91 CO 0.00 -0.68 0.29 0.26 -0.17 0.00 0.00 175.17 174.87 1fiu s TRP 92 N 0.69 3.54 -0.01 -5.34 0.52 -1.26 -1.07 118.94 116.00 1fiu s TRP 92 Ca 0.16 0.50 0.03 0.00 0.02 0.00 0.00 56.10 56.82 1fiu s TRP 92 Cb -0.13 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.23 1fiu s TRP 92 CO -0.06 0.56 -0.11 -0.80 0.02 0.00 0.00 176.95 176.56 1fiu s ASN 93 N -2.06 1.30 -0.12 2.95 0.01 -0.55 -4.98 114.94 111.48 1fiu s ASN 93 Ca 0.33 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 52.29 1fiu s ASN 93 Cb -0.13 -0.19 0.02 0.00 0.41 0.00 0.00 41.25 41.35 1fiu s ASN 93 CO 0.21 0.12 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.08 1fiu s VAL 94 N -0.15 1.49 -0.05 1.60 1.01 -1.26 -0.89 120.40 122.15 1fiu s VAL 94 Ca 0.02 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 1fiu s VAL 94 Cb -0.05 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1fiu s VAL 94 CO -0.00 0.44 0.23 -1.59 0.00 0.00 0.00 175.10 174.18 1fiu s LYS 95 N 1.16 0.42 -0.15 2.72 -2.85 -0.48 -4.99 119.74 115.55 1fiu s LYS 95 Ca -0.03 0.04 -0.29 0.00 -1.00 0.00 0.00 55.97 54.68 1fiu s LYS 95 Cb -0.14 0.19 -0.01 0.00 -2.06 0.00 0.00 37.83 35.81 1fiu s LYS 95 CO -0.04 -0.09 1.06 -1.14 0.10 0.00 0.00 175.35 175.24 1fiu s GLN 96 N -0.56 4.34 0.02 1.78 0.74 -1.26 -1.25 119.66 123.46 1fiu s GLN 96 Ca -0.07 1.43 -0.25 0.00 0.05 0.00 0.00 55.36 56.53 1fiu s GLN 96 Cb -0.04 -3.60 -0.17 0.00 1.10 0.00 0.00 33.01 30.30 1fiu s GLN 96 CO 0.01 -0.47 1.33 0.28 -0.55 0.00 0.00 175.29 175.89 1fiu h VAL 97 N 5.25 0.87 -0.40 1.34 2.07 -1.48 -3.49 116.25 120.41 1fiu h VAL 97 Ca -0.27 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1fiu h VAL 97 Cb 1.11 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1fiu h VAL 97 CO 0.91 0.13 0.00 0.61 0.02 0.00 0.00 177.57 179.24 1fiu n GLY 98 N -0.35 -0.82 0.37 2.17 0.00 -1.26 -4.25 105.19 101.05 1fiu n GLY 98 Ca -0.09 -1.17 0.20 0.00 0.00 0.00 0.00 46.02 44.97 1fiu n GLY 98 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fiu h SER 99 N 0.00 0.58 -1.06 1.61 0.02 -2.00 -2.84 113.55 109.86 1fiu h SER 99 Ca 0.00 0.12 -0.74 0.00 -0.84 0.00 0.00 61.79 60.33 1fiu h SER 99 Cb 0.00 0.04 -0.12 0.00 0.14 0.00 0.00 62.40 62.46 1fiu h SER 99 CO 0.00 0.07 2.40 0.54 -1.14 0.00 0.00 176.83 178.70 1fiu n ARG 100 N -4.81 3.82 0.00 3.45 1.74 -1.26 -4.68 116.66 114.92 1fiu n ARG 100 Ca 0.27 -3.30 0.00 0.00 -0.77 0.00 0.00 57.85 54.05 1fiu n ARG 100 Cb 0.83 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1fiu n ARG 100 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1fiu n ASN 101 N 3.48 0.00 -4.73 0.55 0.23 -1.07 -4.64 115.26 109.07 1fiu n ASN 101 Ca 0.50 0.62 -0.66 0.00 -0.53 0.00 0.00 54.58 54.51 1fiu n ASN 101 Cb 0.32 -0.45 -0.10 0.00 -2.08 0.00 0.00 39.78 37.48 1fiu n ASN 101 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1fiu n ARG 102 N -1.85 0.11 -0.88 -3.83 0.63 -1.26 -1.40 116.66 108.17 1fiu n ARG 102 Ca 0.00 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1fiu n ARG 102 Cb 0.00 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.35 1fiu n ARG 102 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1fiu n LEU 103 N 3.96 0.51 0.01 6.15 4.77 -1.12 -4.82 117.00 126.46 1fiu n LEU 103 Ca 0.30 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.29 1fiu n LEU 103 Cb -0.03 -1.18 0.33 0.00 -2.33 0.00 0.00 43.42 40.20 1fiu n LEU 103 CO 0.87 -0.40 0.98 -0.08 -1.33 0.00 0.00 177.39 177.43 1fiu h GLU 104 N 0.93 0.51 -0.48 3.23 4.57 -1.47 -1.56 114.58 120.30 1fiu h GLU 104 Ca 0.00 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1fiu h GLU 104 Cb 0.28 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1fiu h GLU 104 CO 0.00 0.50 0.32 0.97 -1.18 0.00 0.00 179.01 179.63 1fiu h ILE 105 N 0.50 0.93 0.00 2.32 6.09 -1.77 -1.39 117.51 124.19 1fiu h ILE 105 Ca 0.11 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1fiu h ILE 105 Cb 0.26 0.56 0.00 0.00 0.47 0.00 0.00 36.82 38.11 1fiu h ILE 105 CO 0.00 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 175.14 1fiu n ALA 106 N -2.53 2.29 0.96 0.18 0.00 -0.59 -1.96 120.51 118.86 1fiu n ALA 106 Ca 0.07 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.51 1fiu n ALA 106 Cb 0.30 -1.38 0.54 0.00 0.00 0.00 0.00 19.45 18.91 1fiu n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fiu n ARG 107 N -1.11 0.03 -4.11 0.00 1.74 -0.52 -3.99 116.66 108.69 1fiu n ARG 107 Ca 0.15 0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.91 1fiu n ARG 107 Cb 0.12 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 29.96 1fiu n ARG 107 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1fiu s TYR 108 N -3.01 3.31 0.22 -1.55 1.51 -0.83 -4.20 117.35 112.80 1fiu s TYR 108 Ca 0.13 0.24 -0.16 0.00 -1.01 0.00 0.00 57.07 56.27 1fiu s TYR 108 Cb 0.18 -1.76 0.25 0.00 -0.11 0.00 0.00 41.96 40.52 1fiu s TYR 108 CO 0.56 0.56 1.58 0.37 -1.11 0.00 0.00 175.55 177.51 1fiu h GLN 109 N 4.28 -0.05 0.00 -0.62 4.15 -1.33 -0.64 115.11 120.90 1fiu h GLN 109 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1fiu h GLN 109 Cb 1.19 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1fiu h GLN 109 CO 0.61 -0.03 0.00 1.04 -1.93 0.00 0.00 178.83 178.52 1fiu n GLN 110 N -5.49 0.13 -0.05 1.69 3.00 -1.26 -3.25 117.38 112.16 1fiu n GLN 110 Ca 0.09 0.46 0.01 0.00 -0.01 0.00 0.00 57.00 57.55 1fiu n GLN 110 Cb 0.40 -1.80 0.01 0.00 0.00 0.00 0.00 30.24 28.85 1fiu n GLN 110 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1fiu n TYR 111 N -2.06 0.00 -0.08 1.08 4.02 -0.36 -1.90 117.16 117.86 1fiu n TYR 111 Ca 0.01 -0.30 0.12 0.00 -0.01 0.00 0.00 57.90 57.72 1fiu n TYR 111 Cb 0.15 -0.04 0.50 0.00 -0.02 0.00 0.00 39.34 39.93 1fiu n TYR 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fiu h ALA 112 N 0.00 2.00 0.00 -0.72 0.00 -1.22 -1.16 119.26 118.17 1fiu h ALA 112 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fiu h ALA 112 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1fiu h ALA 112 CO 0.00 -0.13 0.00 1.12 0.00 0.00 0.00 179.25 180.24 1fiu h HIS 113 N 0.41 0.00 0.00 0.00 2.07 -1.87 -2.47 115.15 113.30 1fiu h HIS 113 Ca 0.27 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.76 1fiu h HIS 113 Cb 0.52 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.49 1fiu h HIS 113 CO -0.00 0.00 -0.14 -0.07 -3.07 0.00 0.00 177.93 174.65 1fiu h LEU 114 N 0.00 0.00 -0.52 6.12 3.38 -1.57 -2.13 115.31 120.60 1fiu h LEU 114 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1fiu h LEU 114 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1fiu h LEU 114 CO 0.00 0.14 0.14 0.74 0.09 0.00 0.00 178.44 179.55 1fiu h THR 115 N 0.00 1.24 -0.39 0.22 2.02 -1.65 -1.05 112.91 113.30 1fiu h THR 115 Ca -0.00 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 1fiu h THR 115 Cb 0.25 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1fiu h THR 115 CO 0.02 0.30 0.19 0.00 0.37 0.00 0.00 175.52 176.40 1fiu h ALA 116 N 1.01 0.51 -0.54 6.16 0.00 -1.57 -0.50 119.26 124.33 1fiu h ALA 116 Ca 0.16 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1fiu h ALA 116 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1fiu h ALA 116 CO -0.00 0.06 0.33 -0.07 0.00 0.00 0.00 179.25 179.57 1fiu h LEU 117 N 0.50 0.55 -0.55 0.00 3.38 -1.22 -0.72 115.31 117.25 1fiu h LEU 117 Ca 0.14 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1fiu h LEU 117 Cb 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1fiu h LEU 117 CO -0.02 0.39 0.23 0.00 0.09 0.00 0.00 178.44 179.13 1fiu h ALA 118 N 1.23 0.71 -0.35 1.53 0.00 -0.85 -1.97 119.26 119.56 1fiu h ALA 118 Ca 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1fiu h ALA 118 Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1fiu h ALA 118 CO -0.08 0.32 0.14 0.87 0.00 0.00 0.00 179.25 180.49 1fiu h LYS 119 N 0.74 0.53 -0.00 0.00 1.57 -0.78 -1.34 116.57 117.29 1fiu h LYS 119 Ca 0.18 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1fiu h LYS 119 Cb 0.19 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1fiu h LYS 119 CO -0.02 0.52 -0.11 0.00 -0.57 0.00 0.00 179.45 179.27 1fiu h ALA 120 N 0.98 -0.13 -0.74 3.86 0.00 -1.01 -1.92 119.26 120.30 1fiu h ALA 120 Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1fiu h ALA 120 Cb 0.20 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1fiu h ALA 120 CO -0.01 -0.61 0.49 0.00 0.00 0.00 0.00 179.25 179.12 1fiu h ALA 121 N 0.78 1.67 -0.80 0.00 0.00 -1.23 -1.99 119.26 117.69 1fiu h ALA 121 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1fiu h ALA 121 Cb 0.25 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1fiu h ALA 121 CO -0.12 0.22 0.36 0.93 0.00 0.00 0.00 179.25 180.65 1fiu h GLU 122 N 0.80 1.16 0.00 0.00 4.39 -0.47 -2.55 114.58 117.90 1fiu h GLU 122 Ca 0.32 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1fiu h GLU 122 Cb 0.23 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1fiu h GLU 122 CO -0.11 0.91 0.00 1.49 -1.16 0.00 0.00 179.01 180.15 1fiu h GLU 123 N 1.14 0.00 -4.40 2.33 4.81 -0.88 -3.46 114.58 114.12 1fiu h GLU 123 Ca 0.27 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.32 1fiu h GLU 123 Cb 0.15 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.37 1fiu h GLU 123 CO -0.03 0.00 -0.69 1.21 -0.73 0.00 0.00 179.01 178.77 1fiu s ASN 124 N -5.46 0.75 0.00 1.04 2.47 -0.96 -5.13 114.94 107.65 1fiu s ASN 124 Ca 0.05 -0.91 0.00 0.00 0.42 0.00 0.00 52.86 52.43 1fiu s ASN 124 Cb 0.08 0.13 0.00 0.00 -1.45 0.00 0.00 41.25 40.02 1fiu s ASN 124 CO 0.57 -0.48 0.00 -0.81 -3.72 0.00 0.00 177.10 172.66 1fiu n PRO 125 N 0.34 0.00 -0.04 0.43 -0.04 -1.26 -4.57 135.00 129.87 1fiu n PRO 125 Ca -0.15 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.29 1fiu n PRO 125 Cb 0.60 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.04 1fiu n PRO 125 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1fiu h GLU 126 N 0.00 -0.03 0.00 0.54 -0.00 -2.01 -3.33 114.58 109.75 1fiu h GLU 126 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1fiu h GLU 126 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.76 1fiu h GLU 126 CO 0.00 -0.02 0.00 1.28 -0.00 0.00 0.00 179.01 180.27 1fiu n LEU 127 N -3.17 0.00 0.24 3.06 4.77 -1.26 0.62 117.00 121.25 1fiu n LEU 127 Ca -0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1fiu n LEU 127 Cb 0.04 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.75 1fiu n LEU 127 CO -0.01 0.00 0.91 0.00 -1.33 0.00 0.00 177.39 176.97 1fiu h ALA 128 N 0.00 1.34 0.00 -1.18 0.00 -1.84 0.99 119.26 118.57 1fiu h ALA 128 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1fiu h ALA 128 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1fiu h ALA 128 CO 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 179.25 179.20 1fiu h ALA 129 N 1.83 1.09 0.00 0.00 0.00 1.77 0.74 119.26 124.69 1fiu h ALA 129 Ca -0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 54.91 54.25 1fiu h ALA 129 Cb 0.41 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1fiu h ALA 129 CO 0.02 0.33 -2.28 0.00 0.00 0.00 0.00 179.25 177.32 1fiu n ALA 130 N -2.28 1.11 0.17 0.00 0.00 -0.56 -4.50 120.51 114.45 1fiu n ALA 130 Ca -0.01 -0.99 0.02 0.00 0.00 0.00 0.00 53.44 52.47 1fiu n ALA 130 Cb 0.41 0.01 0.28 0.00 0.00 0.00 0.00 19.45 20.15 1fiu n ALA 130 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1fiu h LEU 131 N -1.00 0.00 0.00 0.00 3.38 0.91 -3.50 115.31 115.11 1fiu h LEU 131 Ca -0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1fiu h LEU 131 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1fiu h LEU 131 CO -0.38 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1fiu n GLY 132 N 0.07 -1.95 0.00 0.83 0.00 0.26 -4.84 105.19 99.56 1fiu n GLY 132 Ca -0.01 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1fiu n GLY 132 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fiu n SER 133 N 0.66 0.97 0.01 1.61 2.88 -1.26 -4.71 113.62 113.79 1fiu n SER 133 Ca 0.00 -0.01 0.06 0.00 -1.33 0.00 0.00 58.87 57.58 1fiu n SER 133 Cb 0.00 0.22 0.26 0.00 -0.75 0.00 0.00 64.21 63.94 1fiu n SER 133 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1fiu n ASP 134 N -0.32 0.04 0.24 -3.46 5.75 -1.26 -2.30 116.55 115.24 1fiu n ASP 134 Ca 0.00 0.51 0.16 0.00 -0.01 0.00 0.00 54.79 55.45 1fiu n ASP 134 Cb 0.00 -0.52 0.69 0.00 -1.03 0.00 0.00 41.12 40.26 1fiu n ASP 134 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1fiu h TYR 135 N 0.00 0.00 0.00 2.11 -0.00 -1.88 -2.71 116.97 114.48 1fiu h TYR 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1fiu h TYR 135 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.93 1fiu h TYR 135 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 1fiu n THR 136 N -2.81 0.82 -0.39 -0.90 -2.24 -0.97 -4.87 114.28 102.91 1fiu n THR 136 Ca 0.00 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1fiu n THR 136 Cb 0.24 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 67.49 1fiu n THR 136 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1fiu n ILE 137 N 1.01 0.43 -3.60 2.28 5.41 -1.03 -2.81 119.36 121.05 1fiu n ILE 137 Ca 0.00 -0.11 -0.29 0.00 1.00 0.00 0.00 62.75 63.36 1fiu n ILE 137 Cb 0.31 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.12 1fiu n ILE 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1fiu s THR 138 N -0.21 1.03 0.81 1.39 2.01 -1.26 -4.10 115.64 115.31 1fiu s THR 138 Ca 0.19 -2.55 -0.12 0.00 0.31 0.00 0.00 61.69 59.52 1fiu s THR 138 Cb -0.28 -1.72 0.09 0.00 0.01 0.00 0.00 72.50 70.60 1fiu s THR 138 CO 0.16 -1.00 1.14 -2.84 -0.69 0.00 0.00 174.62 171.39 1fiu s PRO 139 N 0.27 1.76 0.08 4.92 0.02 -1.26 -4.94 135.00 135.85 1fiu s PRO 139 Ca 0.22 1.48 -0.19 0.00 0.02 0.00 0.00 61.00 62.53 1fiu s PRO 139 Cb -0.16 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 1fiu s PRO 139 CO -0.06 -2.07 1.48 -0.44 -0.33 0.00 0.00 177.00 175.59 1fiu h ASP 140 N -1.16 0.43 -3.85 2.53 3.32 -1.96 -3.41 116.42 112.33 1fiu h ASP 140 Ca -0.44 -0.35 -0.34 0.00 0.02 0.00 0.00 57.03 55.92 1fiu h ASP 140 Cb 1.26 -0.12 -0.29 0.00 0.22 0.00 0.00 39.33 40.40 1fiu h ASP 140 CO 0.47 0.68 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.28 1fiu s ILE 141 N -4.82 0.43 0.10 0.35 1.01 -0.78 -1.47 121.20 116.01 1fiu s ILE 141 Ca -0.14 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.39 1fiu s ILE 141 Cb 0.07 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1fiu s ILE 141 CO 0.75 0.13 -0.20 0.27 0.00 0.00 0.00 174.94 175.89 1fiu s ILE 142 N 0.04 1.67 -0.12 2.92 -4.36 -0.38 -0.93 121.20 120.05 1fiu s ILE 142 Ca -0.00 -1.51 0.02 0.00 -0.26 0.00 0.00 60.65 58.90 1fiu s ILE 142 Cb -0.04 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 1fiu s ILE 142 CO -0.00 -0.06 -0.19 -0.69 0.24 0.00 0.00 174.94 174.24 1fiu s VAL 143 N -1.15 2.48 0.18 8.37 1.01 -0.62 -1.39 120.40 129.29 1fiu s VAL 143 Ca 0.06 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1fiu s VAL 143 Cb -0.10 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1fiu s VAL 143 CO 0.04 0.54 -0.15 0.42 0.00 0.00 0.00 175.10 175.95 1fiu s THR 144 N 0.39 1.71 -0.13 3.92 -4.23 -0.07 -0.06 115.64 117.17 1fiu s THR 144 Ca -0.15 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.31 1fiu s THR 144 Cb -0.17 -1.93 0.01 0.00 1.34 0.00 0.00 72.50 71.75 1fiu s THR 144 CO 0.07 -0.50 -0.21 -0.60 -0.54 0.00 0.00 174.62 172.83 1fiu s ARG 145 N -3.30 3.05 0.56 3.99 3.52 0.06 -1.48 118.95 125.35 1fiu s ARG 145 Ca 0.19 -0.85 -0.14 0.00 -0.13 0.00 0.00 55.73 54.80 1fiu s ARG 145 Cb -0.03 -2.43 -0.06 0.00 -1.56 0.00 0.00 34.95 30.87 1fiu s ARG 145 CO 0.06 0.03 1.01 -0.80 -0.81 0.00 0.00 175.30 174.79 1fiu s ASN 146 N 0.72 6.37 0.75 -2.12 0.01 -0.23 -1.12 114.94 119.31 1fiu s ASN 146 Ca -0.09 1.55 -0.11 0.00 -0.71 0.00 0.00 52.86 53.49 1fiu s ASN 146 Cb -0.16 -2.50 0.04 0.00 0.41 0.00 0.00 41.25 39.04 1fiu s ASN 146 CO 0.00 -0.77 1.09 -0.76 -1.51 0.00 0.00 177.10 175.15 1fiu s LEU 147 N -4.53 2.81 -0.05 0.60 1.43 -1.26 -4.57 118.68 113.10 1fiu s LEU 147 Ca 0.58 1.34 -0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1fiu s LEU 147 Cb -0.11 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1fiu s LEU 147 CO 0.40 -1.67 0.00 -0.63 0.23 0.00 0.00 176.35 174.68 1fiu s ILE 148 N -3.18 4.23 0.58 -0.59 1.01 0.03 -4.77 121.20 118.52 1fiu s ILE 148 Ca 0.59 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 1fiu s ILE 148 Cb -0.13 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1fiu s ILE 148 CO 0.54 0.51 0.93 0.00 0.00 0.00 0.00 174.94 176.91 1fiu s ALA 149 N -0.97 3.22 0.38 9.38 0.00 -1.26 -1.34 121.76 131.17 1fiu s ALA 149 Ca 0.16 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.76 1fiu s ALA 149 Cb -0.11 -2.79 0.76 0.00 0.00 0.00 0.00 23.12 20.97 1fiu s ALA 149 CO 0.06 -0.67 2.02 -0.44 0.00 0.00 0.00 175.76 176.72 1fiu h ASP 150 N -0.16 0.60 -0.82 0.00 3.32 -1.98 -1.64 116.42 115.73 1fiu h ASP 150 Ca -0.45 -0.01 0.14 0.00 0.02 0.00 0.00 57.03 56.72 1fiu h ASP 150 Cb 1.22 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 1fiu h ASP 150 CO 0.62 0.42 0.54 0.00 -1.72 0.00 0.00 179.24 179.10 1fiu h ALA 151 N 1.66 1.91 0.16 3.45 0.00 -1.93 0.64 119.26 125.16 1fiu h ALA 151 Ca 0.22 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 1fiu h ALA 151 Cb 0.01 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1fiu h ALA 151 CO -0.05 -0.13 -1.04 1.49 0.00 0.00 0.00 179.25 179.52 1fiu h GLU 152 N 0.60 0.34 -0.96 0.00 4.57 -1.70 -2.04 114.58 115.39 1fiu h GLU 152 Ca 0.40 -0.58 0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1fiu h GLU 152 Cb 0.71 0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 29.46 1fiu h GLU 152 CO -0.16 1.28 0.63 0.82 -1.18 0.00 0.00 179.01 180.40 1fiu h ILE 153 N -0.26 1.21 -0.53 2.32 2.04 -0.82 -1.59 117.51 119.87 1fiu h ILE 153 Ca -0.19 -0.43 -0.18 0.00 1.00 0.00 0.00 64.86 65.06 1fiu h ILE 153 Cb 1.77 -0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 37.58 1fiu h ILE 153 CO 0.16 0.23 0.22 0.59 0.00 0.00 0.00 178.15 179.36 1fiu n ASN 154 N -4.41 3.86 -0.34 1.72 3.02 0.22 -4.62 115.26 114.71 1fiu n ASN 154 Ca 0.12 -2.86 0.05 0.00 -0.03 0.00 0.00 54.58 51.86 1fiu n ASN 154 Cb 0.05 -0.68 0.20 0.00 -0.61 0.00 0.00 39.78 38.75 1fiu n ASN 154 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1fiu h ARG 155 N 1.69 0.91 0.00 3.52 2.43 -0.52 -3.26 114.38 119.15 1fiu h ARG 155 Ca 0.22 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1fiu h ARG 155 Cb 1.89 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 31.22 1fiu h ARG 155 CO 0.54 0.61 -1.59 0.09 -1.51 0.00 0.00 179.97 178.11 1fiu n ASN 156 N -4.65 2.39 -3.93 -3.80 3.02 -1.26 -5.05 115.26 101.98 1fiu n ASN 156 Ca 0.17 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.63 1fiu n ASN 156 Cb 0.31 1.27 -0.08 0.00 -0.61 0.00 0.00 39.78 40.67 1fiu n ASN 156 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1fiu s GLU 157 N -2.62 0.75 -0.99 3.52 2.02 -1.23 -5.08 118.70 115.07 1fiu s GLU 157 Ca -0.05 -1.00 -0.19 0.00 0.02 0.00 0.00 54.97 53.76 1fiu s GLU 157 Cb 0.06 0.29 0.11 0.00 0.10 0.00 0.00 34.13 34.70 1fiu s GLU 157 CO 0.46 -0.21 1.26 0.12 0.02 0.00 0.00 175.26 176.91 1fiu s PHE 158 N -3.70 3.00 -0.10 1.61 5.36 -1.26 -4.27 117.98 118.63 1fiu s PHE 158 Ca 0.04 -1.34 -0.13 0.00 -0.96 0.00 0.00 56.93 54.54 1fiu s PHE 158 Cb 0.05 -4.40 -0.27 0.00 -0.34 0.00 0.00 43.02 38.05 1fiu s PHE 158 CO -0.10 -1.60 0.52 -0.07 -1.46 0.00 0.00 175.22 172.51 1fiu h LEU 159 N 10.99 0.43 -8.42 6.12 3.38 -1.89 -3.49 115.31 122.43 1fiu h LEU 159 Ca 0.19 -0.88 -0.26 0.00 0.09 0.00 0.00 57.88 57.02 1fiu h LEU 159 Cb 1.00 -0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.45 1fiu h LEU 159 CO 1.21 1.71 -0.71 0.68 0.09 0.00 0.00 178.44 181.42 1fiu s VAL 160 N -2.52 0.77 0.00 1.22 -7.23 -1.26 -5.07 120.40 106.31 1fiu s VAL 160 Ca -0.20 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1fiu s VAL 160 Cb 0.05 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.53 1fiu s VAL 160 CO 0.78 -0.72 0.00 -0.90 -0.31 0.00 0.00 175.10 173.95 1fiu n ASP 161 N 0.30 0.20 0.00 4.85 5.68 -1.26 -4.98 116.55 121.35 1fiu n ASP 161 Ca -0.14 -0.58 0.11 0.00 -0.50 0.00 0.00 54.79 53.67 1fiu n ASP 161 Cb 0.59 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.11 1fiu n ASP 161 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1fiu n GLU 162 N 0.00 0.25 -0.23 0.11 0.00 -1.26 -3.62 120.64 115.90 1fiu n GLU 162 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 57.16 57.31 1fiu n GLU 162 Cb 0.00 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.10 1fiu n GLU 162 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1fiu n ASN 163 N -1.33 3.06 -3.97 -1.84 3.02 -1.26 -4.86 115.26 108.08 1fiu n ASN 163 Ca 0.09 -2.41 -0.09 0.00 -0.03 0.00 0.00 54.58 52.14 1fiu n ASN 163 Cb 0.19 -0.31 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 1fiu n ASN 163 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1fiu s ILE 164 N -1.73 0.10 -1.47 2.41 1.10 -1.24 -4.86 121.20 115.51 1fiu s ILE 164 Ca 0.27 -0.84 -0.04 0.00 -0.51 0.00 0.00 60.65 59.52 1fiu s ILE 164 Cb 0.19 -0.26 0.03 0.00 0.15 0.00 0.00 42.46 42.57 1fiu s ILE 164 CO 0.10 -0.46 0.51 0.00 -2.11 0.00 0.00 174.94 172.98 1fiu n ALA 165 N 1.68 -1.83 0.92 1.50 0.00 -1.26 -4.58 120.51 116.93 1fiu n ALA 165 Ca -0.23 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.14 1fiu n ALA 165 Cb 0.55 -1.99 0.57 0.00 0.00 0.00 0.00 19.45 18.58 1fiu n ALA 165 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1fiu n THR 166 N -4.41 0.15 0.12 0.00 -2.24 -1.26 -3.28 114.28 103.36 1fiu n THR 166 Ca -0.22 0.03 0.03 0.00 -2.27 0.00 0.00 64.05 61.62 1fiu n THR 166 Cb 0.64 -0.57 0.05 0.00 -2.10 0.00 0.00 70.33 68.35 1fiu n THR 166 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1fiu n TYR 167 N -1.51 0.10 -1.66 4.78 4.02 -1.26 -5.02 117.16 116.60 1fiu n TYR 167 Ca 0.06 -0.19 -0.48 0.00 -0.01 0.00 0.00 57.90 57.28 1fiu n TYR 167 Cb 0.32 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.57 1fiu n TYR 167 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fiu n ALA 168 N 0.25 0.72 -0.27 -0.72 0.00 -1.20 -4.87 120.51 114.42 1fiu n ALA 168 Ca 0.05 0.41 0.11 0.00 0.00 0.00 0.00 53.44 54.01 1fiu n ALA 168 Cb 0.23 -2.33 0.36 0.00 0.00 0.00 0.00 19.45 17.71 1fiu n ALA 168 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1fiu h SER 169 N 6.59 0.68 0.94 0.00 0.02 -1.95 -2.70 113.55 117.13 1fiu h SER 169 Ca -0.46 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1fiu h SER 169 Cb 1.28 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1fiu h SER 169 CO 0.89 0.36 0.00 -0.07 -1.14 0.00 0.00 176.83 176.87 1fiu h LEU 170 N 0.73 0.00 -9.16 5.07 3.38 -1.96 -3.45 115.31 109.92 1fiu h LEU 170 Ca 0.43 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.84 1fiu h LEU 170 Cb 0.63 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1fiu h LEU 170 CO -0.19 0.00 0.89 -0.13 0.09 0.00 0.00 178.44 179.10 1fiu s ARG 171 N -3.36 4.24 0.27 1.13 0.52 -1.02 -0.79 118.95 119.95 1fiu s ARG 171 Ca 0.05 1.67 -0.29 0.00 -0.52 0.00 0.00 55.73 56.64 1fiu s ARG 171 Cb 0.09 -3.75 -0.10 0.00 0.52 0.00 0.00 34.95 31.71 1fiu s ARG 171 CO 0.46 -0.69 1.29 0.00 0.02 0.00 0.00 175.30 176.38 1fiu s ALA 172 N 3.42 3.51 0.00 2.13 0.00 -0.45 -4.83 121.76 125.54 1fiu s ALA 172 Ca 0.55 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1fiu s ALA 172 Cb -0.22 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1fiu s ALA 172 CO 0.15 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1fiu n GLY 173 N 1.49 2.28 2.79 0.00 0.00 -1.26 -4.91 105.19 105.58 1fiu n GLY 173 Ca 0.02 0.08 -0.50 0.00 0.00 0.00 0.00 46.02 45.62 1fiu n GLY 173 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fiu n ASN 174 N 0.00 0.80 0.00 1.61 3.02 -1.26 -0.20 115.26 119.23 1fiu n ASN 174 Ca 0.00 0.89 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 1fiu n ASN 174 Cb 0.00 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 1fiu n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fiu n GLY 175 N 2.79 2.26 3.71 7.41 0.00 -1.26 -5.08 105.19 115.03 1fiu n GLY 175 Ca 0.22 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1fiu n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fiu s ASN 176 N -0.01 7.37 0.30 1.61 -0.87 0.72 -5.06 114.94 118.99 1fiu s ASN 176 Ca 0.00 1.65 0.07 0.00 -1.57 0.00 0.00 52.86 53.01 1fiu s ASN 176 Cb 0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.64 1fiu s ASN 176 CO 0.00 -0.22 0.26 -0.04 -2.57 0.00 0.00 177.10 174.53 1fiu s MET 177 N 0.82 2.85 0.80 -0.60 -1.94 -1.26 -4.70 119.30 115.27 1fiu s MET 177 Ca 0.50 -1.16 -0.14 0.00 -1.71 0.00 0.00 55.69 53.19 1fiu s MET 177 Cb -0.21 -2.54 0.08 0.00 2.01 0.00 0.00 34.83 34.17 1fiu s MET 177 CO 0.28 0.24 1.22 -2.14 -0.01 0.00 0.00 175.02 174.60 1fiu s PRO 178 N -3.93 1.65 0.01 2.03 0.02 -1.26 -4.31 135.00 129.21 1fiu s PRO 178 Ca 0.37 1.79 -0.11 0.00 0.02 0.00 0.00 61.00 63.07 1fiu s PRO 178 Cb -0.07 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 1fiu s PRO 178 CO 0.26 -2.21 0.35 -0.51 -0.33 0.00 0.00 177.00 174.56 1fiu s LEU 179 N -5.65 4.42 -0.24 -5.54 1.43 -0.28 -1.18 118.68 111.64 1fiu s LEU 179 Ca 0.74 0.80 -0.26 0.00 -1.03 0.00 0.00 54.13 54.38 1fiu s LEU 179 Cb -0.30 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1fiu s LEU 179 CO 0.50 0.29 0.90 -0.22 0.23 0.00 0.00 176.35 178.05 1fiu s LEU 180 N -1.38 4.08 -0.14 1.79 2.96 -1.26 -0.76 118.68 123.97 1fiu s LEU 180 Ca 0.25 1.14 -0.07 0.00 -0.22 0.00 0.00 54.13 55.23 1fiu s LEU 180 Cb -0.15 -3.31 -0.25 0.00 0.50 0.00 0.00 46.19 42.98 1fiu s LEU 180 CO 0.14 -0.58 0.31 1.57 -1.32 0.00 0.00 176.35 176.47 1fiu n HIS 181 N 6.13 1.15 -3.66 5.38 -0.00 0.92 -4.52 115.22 120.61 1fiu n HIS 181 Ca 0.08 0.25 -0.15 0.00 -0.00 0.00 0.00 57.72 57.90 1fiu n HIS 181 Cb 0.47 -1.15 -0.08 0.00 -0.00 0.00 0.00 29.99 29.23 1fiu n HIS 181 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fiu s ALA 182 N -2.55 -1.27 -0.23 1.57 0.00 -0.75 -0.87 121.76 117.67 1fiu s ALA 182 Ca -0.24 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 1fiu s ALA 182 Cb 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1fiu s ALA 182 CO 0.75 -0.29 -0.05 0.45 0.00 0.00 0.00 175.76 176.62 1fiu s SER 183 N -0.67 4.29 -0.29 0.00 0.15 0.17 -1.58 113.70 115.77 1fiu s SER 183 Ca -0.08 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.07 1fiu s SER 183 Cb -0.03 -1.72 0.06 0.00 -1.71 0.00 0.00 66.02 62.61 1fiu s SER 183 CO 0.05 -0.05 -0.04 -0.63 1.20 0.00 0.00 173.24 173.76 1fiu s ILE 184 N 1.45 2.61 -0.07 6.45 1.01 -0.11 -1.63 121.20 130.91 1fiu s ILE 184 Ca 0.05 -1.54 -0.18 0.00 0.00 0.00 0.00 60.65 58.97 1fiu s ILE 184 Cb -0.15 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 1fiu s ILE 184 CO -0.04 -0.10 0.50 -0.55 0.00 0.00 0.00 174.94 174.75 1fiu s SER 185 N 1.19 6.79 -0.04 3.58 0.15 -0.19 -1.87 113.70 123.31 1fiu s SER 185 Ca -0.06 0.94 0.03 0.00 0.70 0.00 0.00 55.95 57.56 1fiu s SER 185 Cb -0.20 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 1fiu s SER 185 CO -0.03 0.08 -0.11 0.00 1.20 0.00 0.00 173.24 174.38 1fiu s LYS 187 N -0.95 0.11 0.14 0.00 1.02 -0.38 -4.95 119.74 114.73 1fiu s LYS 187 Ca 0.13 -0.11 -0.18 0.00 0.02 0.00 0.00 55.97 55.83 1fiu s LYS 187 Cb -0.11 -1.59 -0.02 0.00 -0.52 0.00 0.00 37.83 35.60 1fiu s LYS 187 CO 0.02 -0.74 1.77 2.35 -0.92 0.00 0.00 175.35 177.84 1fiu h TRP 188 N 8.40 0.28 -4.06 3.18 2.91 -1.91 -2.63 115.95 122.12 1fiu h TRP 188 Ca -0.16 0.01 -0.29 0.00 1.13 0.00 0.00 58.89 59.58 1fiu h TRP 188 Cb 1.12 -0.08 -0.15 0.00 -0.51 0.00 0.00 29.16 29.54 1fiu h TRP 188 CO 0.18 0.16 -0.63 0.95 -1.03 0.00 0.00 178.44 178.07 1fiu s THR 189 N -6.17 0.38 0.06 2.65 -4.23 -1.26 -2.62 115.64 104.45 1fiu s THR 189 Ca -0.13 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.46 1fiu s THR 189 Cb 0.10 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1fiu s THR 189 CO 0.70 -0.13 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.84 1fiu s ILE 190 N -3.88 1.48 0.01 2.99 1.01 -1.26 -4.90 121.20 116.65 1fiu s ILE 190 Ca 0.34 -1.22 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1fiu s ILE 190 Cb 0.07 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 1fiu s ILE 190 CO 0.10 0.06 -0.16 -0.13 0.00 0.00 0.00 174.94 174.82 1fiu s ARG 191 N -1.36 1.16 0.62 2.79 1.81 -1.26 -5.00 118.95 117.71 1fiu s ARG 191 Ca 0.05 -0.68 0.35 0.00 -1.72 0.00 0.00 55.73 53.73 1fiu s ARG 191 Cb -0.09 -1.16 2.02 0.00 -0.45 0.00 0.00 34.95 35.27 1fiu s ARG 191 CO 0.02 0.31 2.28 0.66 -0.68 0.00 0.00 175.30 177.89 1fiu h SER 192 N 5.34 0.00 0.00 0.23 4.64 -1.97 -1.19 113.55 120.60 1fiu h SER 192 Ca -0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1fiu h SER 192 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1fiu h SER 192 CO 0.46 0.00 -0.03 -2.24 -0.87 0.00 0.00 176.83 174.15 1fiu h ASP 193 N 0.00 0.00 0.76 4.97 -0.00 -1.98 -3.35 116.42 116.82 1fiu h ASP 193 Ca 0.01 -0.64 0.00 0.00 -0.00 0.00 0.00 57.03 56.40 1fiu h ASP 193 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.38 1fiu h ASP 193 CO -0.00 0.84 0.00 -2.11 -0.00 0.00 0.00 179.24 177.97 1fiu n ARG 194 N -4.66 0.20 0.25 4.15 1.85 -1.08 -2.55 116.66 114.81 1fiu n ARG 194 Ca -0.07 0.41 0.14 0.00 -1.00 0.00 0.00 57.85 57.33 1fiu n ARG 194 Cb 0.32 -1.87 0.58 0.00 -1.05 0.00 0.00 32.46 30.45 1fiu n ARG 194 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1fiu h ALA 195 N 2.28 1.03 0.00 2.89 0.00 -1.35 -3.18 119.26 120.93 1fiu h ALA 195 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fiu h ALA 195 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1fiu h ALA 195 CO 0.00 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.43 1fiu n GLN 196 N -3.27 0.15 0.20 0.00 1.13 -1.06 -2.17 117.38 112.37 1fiu n GLN 196 Ca 0.00 0.44 0.15 0.00 -1.94 0.00 0.00 57.00 55.65 1fiu n GLN 196 Cb 0.36 -1.82 0.67 0.00 0.11 0.00 0.00 30.24 29.56 1fiu n GLN 196 CO 0.00 0.00 0.00 -2.95 -1.44 0.00 0.00 177.06 172.67 1fiu h ASN 197 N 0.00 0.00 0.16 1.08 -1.07 -1.78 -1.39 115.58 112.58 1fiu h ASN 197 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 1fiu h ASN 197 Cb 0.27 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.51 1fiu h ASN 197 CO 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 177.43 176.97 1fiu h ALA 198 N 2.10 0.83 -0.28 4.14 0.00 -1.71 -1.35 119.26 123.00 1fiu h ALA 198 Ca 0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 1fiu h ALA 198 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1fiu h ALA 198 CO 0.00 0.68 -0.57 0.00 0.00 0.00 0.00 179.25 179.36 1fiu h ARG 199 N 0.32 0.88 -0.30 0.00 3.08 -1.46 -1.43 114.38 115.47 1fiu h ARG 199 Ca 0.01 -0.57 -0.16 0.00 0.07 0.00 0.00 59.98 59.33 1fiu h ARG 199 Cb 1.03 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1fiu h ARG 199 CO 0.09 1.20 -0.45 0.66 -1.07 0.00 0.00 179.97 180.41 1fiu h SER 200 N 0.67 0.85 -0.67 7.04 4.64 -1.37 -0.24 113.55 124.47 1fiu h SER 200 Ca 0.01 -0.41 -0.08 0.00 -0.47 0.00 0.00 61.79 60.83 1fiu h SER 200 Cb 1.18 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1fiu h SER 200 CO 0.13 1.17 0.10 -0.33 -0.87 0.00 0.00 176.83 177.03 1fiu h GLU 201 N 0.63 1.12 -0.56 4.77 5.08 -1.27 -1.35 114.58 123.01 1fiu h GLU 201 Ca 0.04 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1fiu h GLU 201 Cb 1.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1fiu h GLU 201 CO 0.10 1.03 0.24 0.78 -1.00 0.00 0.00 179.01 180.15 1fiu h GLY 202 N 1.04 0.88 1.37 -3.84 0.00 -1.03 -2.10 103.07 99.40 1fiu h GLY 202 Ca 0.20 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1fiu h GLY 202 CO 0.01 0.44 0.09 -2.00 0.00 0.00 0.00 176.54 175.09 1fiu h LEU 203 N 0.76 0.73 -0.83 3.11 5.85 -0.74 -1.47 115.31 122.72 1fiu h LEU 203 Ca 0.19 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1fiu h LEU 203 Cb 0.17 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1fiu h LEU 203 CO -0.02 0.75 0.08 0.78 -0.34 0.00 0.00 178.44 179.69 1fiu h ASN 204 N 0.75 0.91 -0.44 1.25 2.35 -0.90 0.64 115.58 120.14 1fiu h ASN 204 Ca 0.16 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 1fiu h ASN 204 Cb 0.32 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1fiu h ASN 204 CO 0.00 0.92 0.02 -0.07 -1.65 0.00 0.00 177.43 176.65 1fiu h LEU 205 N 0.90 0.81 0.11 1.61 3.38 -0.88 -2.26 115.31 118.97 1fiu h LEU 205 Ca 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1fiu h LEU 205 Cb 0.41 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1fiu h LEU 205 CO 0.01 0.86 -0.05 0.58 0.09 0.00 0.00 178.44 179.93 1fiu h VAL 206 N 0.79 1.08 0.00 1.22 2.07 -0.76 -3.17 116.25 117.47 1fiu h VAL 206 Ca 0.15 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1fiu h VAL 206 Cb 0.45 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1fiu h VAL 206 CO 0.02 0.19 -0.28 0.03 0.02 0.00 0.00 177.57 177.55 1fiu h ARG 207 N -0.54 0.00 -0.22 1.57 3.08 -0.85 -3.26 114.38 114.17 1fiu h ARG 207 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1fiu h ARG 207 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1fiu h ARG 207 CO 0.03 0.28 0.00 0.09 -1.07 0.00 0.00 179.97 179.30 1fiu n ASN 208 N -3.87 2.79 -4.80 7.04 3.02 -0.86 -5.03 115.26 113.55 1fiu n ASN 208 Ca -0.02 -1.82 -0.34 0.00 -0.03 0.00 0.00 54.58 52.38 1fiu n ASN 208 Cb 0.36 -0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 1fiu n ASN 208 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fiu s ARG 209 N -1.23 3.61 -0.27 3.52 1.70 -1.20 -4.79 118.95 120.30 1fiu s ARG 209 Ca 0.26 1.34 -0.00 0.00 -0.47 0.00 0.00 55.73 56.85 1fiu s ARG 209 Cb 0.16 -2.07 0.08 0.00 -0.57 0.00 0.00 34.95 32.55 1fiu s ARG 209 CO 0.22 -0.58 0.03 0.15 -1.08 0.00 0.00 175.30 174.03 1fiu s LYS 210 N -3.49 1.10 0.00 3.89 1.02 -0.80 -5.05 119.74 116.41 1fiu s LYS 210 Ca 0.67 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1fiu s LYS 210 Cb -0.17 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1fiu s LYS 210 CO 0.26 -0.78 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1fiu n GLY 211 N 4.76 0.22 3.76 -3.33 0.00 -1.26 -4.03 105.19 105.30 1fiu n GLY 211 Ca -0.06 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 1fiu n GLY 211 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fiu s ARG 212 N -0.39 4.45 0.33 1.61 3.52 -1.26 -4.97 118.95 122.25 1fiu s ARG 212 Ca 0.00 2.05 -0.29 0.00 -0.13 0.00 0.00 55.73 57.36 1fiu s ARG 212 Cb 0.00 -3.14 -0.11 0.00 -1.56 0.00 0.00 34.95 30.15 1fiu s ARG 212 CO 0.00 -0.07 1.42 -1.17 -0.81 0.00 0.00 175.30 174.67 1fiu s LEU 213 N -1.29 4.37 0.90 -0.88 2.96 -1.26 -4.99 118.68 118.50 1fiu s LEU 213 Ca 0.49 2.85 -0.12 0.00 -0.22 0.00 0.00 54.13 57.14 1fiu s LEU 213 Cb -0.36 -3.65 0.13 0.00 0.50 0.00 0.00 46.19 42.81 1fiu s LEU 213 CO 0.46 -0.73 1.10 -2.84 -1.32 0.00 0.00 176.35 173.02 1fiu s PRO 214 N -1.59 1.20 0.44 0.98 0.02 -1.26 -4.97 135.00 129.81 1fiu s PRO 214 Ca 0.53 0.59 -0.26 0.00 0.02 0.00 0.00 61.00 61.89 1fiu s PRO 214 Cb -0.43 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.18 1fiu s PRO 214 CO 0.55 -2.23 1.42 -1.01 -0.33 0.00 0.00 177.00 175.40 1fiu s HIS 215 N -3.06 2.50 -0.26 6.54 3.76 -0.05 -4.86 115.29 119.87 1fiu s HIS 215 Ca 0.63 1.27 -0.00 0.00 -0.15 0.00 0.00 55.06 56.81 1fiu s HIS 215 Cb -0.17 -3.90 0.08 0.00 1.11 0.00 0.00 32.58 29.69 1fiu s HIS 215 CO 0.56 -2.86 0.02 0.42 -0.85 0.00 0.00 174.74 172.03 1fiu s ILE 216 N -1.20 1.15 0.23 0.60 1.01 -1.26 -0.66 121.20 121.07 1fiu s ILE 216 Ca 0.60 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1fiu s ILE 216 Cb -0.43 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1fiu s ILE 216 CO 0.56 -0.35 0.03 0.68 0.00 0.00 0.00 174.94 175.85 1fiu s VAL 217 N 1.53 0.83 -0.03 2.92 -7.23 -0.65 -0.43 120.40 117.35 1fiu s VAL 217 Ca 0.02 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1fiu s VAL 217 Cb -0.18 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1fiu s VAL 217 CO -0.13 -0.25 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.60 1fiu s VAL 218 N -3.56 0.98 -0.07 1.32 1.01 -1.11 -1.02 120.40 117.95 1fiu s VAL 218 Ca 0.30 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1fiu s VAL 218 Cb 0.07 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1fiu s VAL 218 CO 0.09 0.30 -0.17 -0.69 0.00 0.00 0.00 175.10 174.62 1fiu s VAL 219 N 0.13 2.75 0.03 2.92 1.01 0.94 -0.30 120.40 127.89 1fiu s VAL 219 Ca -0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1fiu s VAL 219 Cb -0.09 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 1fiu s VAL 219 CO 0.01 0.57 0.16 0.28 0.00 0.00 0.00 175.10 176.12 1fiu s THR 220 N -0.29 0.11 -1.10 3.92 -1.32 -0.45 -1.25 115.64 115.26 1fiu s THR 220 Ca 0.01 -0.92 0.13 0.00 -1.21 0.00 0.00 61.69 59.70 1fiu s THR 220 Cb -0.13 -0.86 0.38 0.00 -1.51 0.00 0.00 72.50 70.38 1fiu s THR 220 CO 0.03 -0.51 1.32 0.00 -2.21 0.00 0.00 174.62 173.24 1fiu n ALA 221 N 0.79 2.25 -1.68 11.08 0.00 -0.99 -1.18 120.51 130.77 1fiu n ALA 221 Ca -0.19 -1.21 -0.46 0.00 0.00 0.00 0.00 53.44 51.58 1fiu n ALA 221 Cb 0.58 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 1fiu n ALA 221 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1fiu n GLU 222 N 0.70 2.28 0.13 0.00 4.07 -1.08 -4.85 120.64 121.90 1fiu n GLU 222 Ca 0.14 0.83 0.02 0.00 -0.06 0.00 0.00 57.16 58.09 1fiu n GLU 222 Cb 0.48 -2.63 0.02 0.00 -0.06 0.00 0.00 31.44 29.25 1fiu n GLU 222 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1fiu h PRO 223 N 6.93 0.00 -5.77 5.31 0.13 -1.90 -3.46 132.00 133.23 1fiu h PRO 223 Ca -0.46 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.09 1fiu h PRO 223 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 1fiu h PRO 223 CO 0.91 0.54 -0.17 0.95 -0.23 0.00 0.00 178.00 180.00 1fiu s THR 224 N -2.96 5.16 0.32 1.56 -4.23 -1.26 -4.89 115.64 109.35 1fiu s THR 224 Ca 0.04 0.90 0.03 0.00 -1.18 0.00 0.00 61.69 61.47 1fiu s THR 224 Cb 0.08 -3.78 0.29 0.00 1.34 0.00 0.00 72.50 70.42 1fiu s THR 224 CO 0.75 0.38 1.92 -0.65 -0.54 0.00 0.00 174.62 176.48 1fiu h PRO 225 N 6.30 0.90 -0.17 3.99 0.11 -1.89 -1.48 132.00 139.76 1fiu h PRO 225 Ca -0.43 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.65 1fiu h PRO 225 Cb 1.19 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1fiu h PRO 225 CO 0.73 0.59 0.01 0.66 -0.21 0.00 0.00 178.00 179.79 1fiu h SER 226 N 0.92 -0.03 -0.08 -2.05 4.64 -1.93 0.61 113.55 115.64 1fiu h SER 226 Ca 0.37 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.58 1fiu h SER 226 Cb 0.26 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1fiu h SER 226 CO -0.14 0.01 -0.44 0.03 -0.87 0.00 0.00 176.83 175.42 1fiu h ARG 227 N 0.08 0.62 -0.75 4.77 3.08 -1.86 -2.74 114.38 117.57 1fiu h ARG 227 Ca 0.08 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.80 1fiu h ARG 227 Cb 0.08 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1fiu h ARG 227 CO -0.12 0.94 0.49 0.82 -1.07 0.00 0.00 179.97 181.04 1fiu h ILE 228 N 0.50 1.19 0.00 2.04 2.04 -0.89 -2.15 117.51 120.25 1fiu h ILE 228 Ca 0.04 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1fiu h ILE 228 Cb 0.96 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1fiu h ILE 228 CO 0.09 0.19 -0.04 0.77 0.00 0.00 0.00 178.15 179.16 1fiu h SER 229 N 1.02 0.00 0.40 1.72 4.64 -0.57 -1.44 113.55 119.32 1fiu h SER 229 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1fiu h SER 229 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1fiu h SER 229 CO -0.06 0.04 0.00 0.77 -0.87 0.00 0.00 176.83 176.71 1fiu h SER 230 N 0.00 0.00 0.00 4.97 4.64 -1.34 -2.63 113.55 119.19 1fiu h SER 230 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fiu h SER 230 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1fiu h SER 230 CO 0.00 0.00 -0.98 0.00 -0.87 0.00 0.00 176.83 174.98 1fiu n ILE 231 N -2.71 0.00 0.11 0.95 0.13 -0.82 -4.82 119.36 112.19 1fiu n ILE 231 Ca -0.01 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.47 1fiu n ILE 231 Cb 0.15 -0.36 -0.14 0.00 -0.84 0.00 0.00 39.64 38.45 1fiu n ILE 231 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1fiu h ALA 232 N 0.00 0.08 -2.65 1.51 0.00 -1.25 -3.46 119.26 113.48 1fiu h ALA 232 Ca 0.00 -0.92 -0.50 0.00 0.00 0.00 0.00 54.91 53.49 1fiu h ALA 232 Cb 0.57 0.09 0.07 0.00 0.00 0.00 0.00 17.79 18.51 1fiu h ALA 232 CO 0.00 0.95 0.46 -0.51 0.00 0.00 0.00 179.25 180.15 1fiu s LEU 233 N -7.20 3.89 0.00 0.00 1.43 -1.00 -4.83 118.68 110.98 1fiu s LEU 233 Ca -0.06 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 1fiu s LEU 233 Cb 0.06 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.89 1fiu s LEU 233 CO 0.89 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1fiu n GLY 234 N 0.32 0.14 3.13 -3.19 0.00 -1.26 -4.99 105.19 99.34 1fiu n GLY 234 Ca 0.09 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 1fiu n GLY 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fiu s THR 235 N -2.36 0.39 0.00 2.61 -4.23 -1.26 -4.92 115.64 105.87 1fiu s THR 235 Ca 0.00 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1fiu s THR 235 Cb 0.00 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.15 1fiu s THR 235 CO 0.00 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 173.84 1fiu n GLY 236 N 0.01 2.04 0.43 3.99 0.00 -1.26 -4.90 105.19 105.50 1fiu n GLY 236 Ca -0.12 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 1fiu n GLY 236 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fiu n GLU 237 N 0.00 0.26 -4.31 1.61 4.71 -1.26 -4.91 120.64 116.74 1fiu n GLU 237 Ca 0.00 0.09 -0.34 0.00 -0.01 0.00 0.00 57.16 56.90 1fiu n GLU 237 Cb 0.00 -1.03 -0.12 0.00 -1.01 0.00 0.00 31.44 29.28 1fiu n GLU 237 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1fiu s ILE 238 N -2.22 3.84 0.11 -3.67 1.01 -1.26 -4.69 121.20 114.32 1fiu s ILE 238 Ca -0.16 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 1fiu s ILE 238 Cb 0.06 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 1fiu s ILE 238 CO 0.23 0.47 1.57 0.44 0.00 0.00 0.00 174.94 177.65 1fiu h ASP 239 N 6.97 0.55 -4.25 3.58 3.32 -1.14 -3.46 116.42 121.98 1fiu h ASP 239 Ca -0.33 -0.28 0.23 0.00 0.02 0.00 0.00 57.03 56.68 1fiu h ASP 239 Cb 1.19 -0.15 -0.19 0.00 0.22 0.00 0.00 39.33 40.40 1fiu h ASP 239 CO 0.62 0.69 0.77 0.00 -1.72 0.00 0.00 179.24 179.60 1fiu s VAL 241 N -2.43 3.20 -0.10 0.00 1.01 -0.60 -2.75 120.40 118.73 1fiu s VAL 241 Ca 0.09 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1fiu s VAL 241 Cb -0.01 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1fiu s VAL 241 CO -0.05 0.33 -0.17 -0.31 0.00 0.00 0.00 175.10 174.90 1fiu s TYR 242 N -0.99 2.03 0.02 5.22 1.51 0.59 -1.01 117.35 124.72 1fiu s TYR 242 Ca 0.16 -0.89 -0.14 0.00 -1.01 0.00 0.00 57.07 55.19 1fiu s TYR 242 Cb -0.11 -1.43 -0.06 0.00 -0.11 0.00 0.00 41.96 40.25 1fiu s TYR 242 CO 0.07 -0.43 0.41 -1.58 -1.11 0.00 0.00 175.55 172.92 1fiu s HIS 243 N 0.76 3.70 -0.13 2.71 2.46 0.10 -1.35 115.29 123.55 1fiu s HIS 243 Ca -0.11 0.96 0.29 0.00 0.47 0.00 0.00 55.06 56.67 1fiu s HIS 243 Cb -0.16 -2.27 1.30 0.00 -0.13 0.00 0.00 32.58 31.32 1fiu s HIS 243 CO 0.02 0.61 1.87 0.27 -2.47 0.00 0.00 174.74 175.04 1fiu h PHE 244 N 4.46 0.00 -0.60 3.88 -0.00 -1.48 -0.24 116.94 122.96 1fiu h PHE 244 Ca -0.51 0.00 -0.32 0.00 -0.00 0.00 0.00 57.97 57.14 1fiu h PHE 244 Cb 1.21 0.00 -0.22 0.00 -0.00 0.00 0.00 35.95 36.94 1fiu h PHE 244 CO 0.70 0.00 -0.67 0.00 -0.00 0.00 0.00 178.31 178.34 1fiu n ALA 245 N -1.91 -0.09 -0.16 12.09 0.00 -1.26 -4.73 120.51 124.45 1fiu n ALA 245 Ca 0.01 -2.02 -0.09 0.00 0.00 0.00 0.00 53.44 51.33 1fiu n ALA 245 Cb 0.21 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1fiu n ALA 245 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1fiu h LEU 246 N 3.44 0.68 -0.78 0.00 5.85 -1.88 -0.86 115.31 121.75 1fiu h LEU 246 Ca -0.06 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1fiu h LEU 246 Cb 1.03 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1fiu h LEU 246 CO 0.30 0.72 0.37 1.88 -0.34 0.00 0.00 178.44 181.36 1fiu h TYR 247 N 0.61 1.13 -0.38 1.25 0.99 -1.95 -0.80 116.97 117.83 1fiu h TYR 247 Ca 0.15 -0.06 -0.12 0.00 2.00 0.00 0.00 58.73 60.70 1fiu h TYR 247 Cb 0.29 -0.35 -0.01 0.00 1.00 0.00 0.00 36.73 37.66 1fiu h TYR 247 CO 0.02 0.83 -0.22 0.93 -0.00 0.00 0.00 178.16 179.72 1fiu h GLU 248 N 1.11 0.81 -0.67 4.88 3.07 -1.94 -1.32 114.58 120.51 1fiu h GLU 248 Ca 0.27 -0.37 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1fiu h GLU 248 Cb 0.13 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.98 1fiu h GLU 248 CO -0.03 1.00 0.41 1.25 -1.40 0.00 0.00 179.01 180.24 1fiu h LEU 249 N 0.61 0.67 -0.36 1.33 5.85 -0.77 -1.17 115.31 121.47 1fiu h LEU 249 Ca 0.08 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1fiu h LEU 249 Cb 0.78 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1fiu h LEU 249 CO 0.06 0.46 0.13 -0.08 -0.34 0.00 0.00 178.44 178.67 1fiu h GLU 250 N 0.80 0.55 -0.37 1.25 4.81 -0.94 -1.55 114.58 119.14 1fiu h GLU 250 Ca 0.28 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1fiu h GLU 250 Cb 0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1fiu h GLU 250 CO -0.12 0.55 0.23 0.37 -0.73 0.00 0.00 179.01 179.32 1fiu h GLN 251 N 0.44 0.49 -0.18 1.92 4.15 -0.87 -1.79 115.11 119.26 1fiu h GLN 251 Ca 0.12 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.39 1fiu h GLN 251 Cb 0.22 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1fiu h GLN 251 CO -0.01 0.34 -0.36 -0.84 -1.93 0.00 0.00 178.83 176.03 1fiu h ILE 252 N 0.49 1.29 -0.44 2.39 3.07 -1.15 -1.67 117.51 121.49 1fiu h ILE 252 Ca 0.13 -1.45 -0.06 0.00 1.55 0.00 0.00 64.86 65.03 1fiu h ILE 252 Cb -0.03 1.55 -0.02 0.00 -0.27 0.00 0.00 36.82 38.05 1fiu h ILE 252 CO -0.03 0.45 0.02 -0.07 -1.05 0.00 0.00 178.15 177.47 1fiu h LEU 253 N 0.33 0.67 -0.55 0.16 3.38 -0.98 -0.12 115.31 118.20 1fiu h LEU 253 Ca 0.04 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1fiu h LEU 253 Cb 0.79 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1fiu h LEU 253 CO 0.06 0.73 -0.08 1.56 0.09 0.00 0.00 178.44 180.80 1fiu h GLN 254 N 0.67 1.03 -0.06 1.13 1.08 -0.83 -3.21 115.11 114.91 1fiu h GLN 254 Ca 0.14 -0.37 -0.18 0.00 -1.45 0.00 0.00 58.65 56.79 1fiu h GLN 254 Cb 0.39 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1fiu h GLN 254 CO 0.01 1.06 -0.74 0.77 -0.95 0.00 0.00 178.83 178.98 1fiu h SER 255 N 0.91 0.43 1.31 1.46 0.02 -0.81 -3.34 113.55 113.53 1fiu h SER 255 Ca 0.15 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1fiu h SER 255 Cb 0.65 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1fiu h SER 255 CO 0.04 1.02 -0.06 0.18 -1.14 0.00 0.00 176.83 176.88 1fiu n LEU 256 N -3.82 0.63 -1.47 5.07 4.77 -0.10 -4.97 117.00 117.11 1fiu n LEU 256 Ca -0.04 0.52 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 1fiu n LEU 256 Cb 0.71 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1fiu n LEU 256 CO 0.48 -0.13 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.08 1fiu n ASN 257 N -2.08 -3.93 -4.38 -1.43 5.15 -1.21 -4.93 115.26 102.46 1fiu n ASN 257 Ca 0.06 -0.04 -0.46 0.00 -0.60 0.00 0.00 54.58 53.54 1fiu n ASN 257 Cb 0.41 -3.08 -0.02 0.00 -0.53 0.00 0.00 39.78 36.57 1fiu n ASN 257 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1fiu s TYR 258 N -2.66 3.67 0.35 1.20 4.12 -1.26 -4.89 117.35 117.87 1fiu s TYR 258 Ca 0.03 -1.99 0.07 0.00 0.02 0.00 0.00 57.07 55.21 1fiu s TYR 258 Cb -0.01 -4.00 0.64 0.00 -1.52 0.00 0.00 41.96 37.07 1fiu s TYR 258 CO 0.04 -1.15 1.84 0.93 0.02 0.00 0.00 175.55 177.22 1fiu h GLU 259 N 7.78 0.32 -0.42 -0.62 4.39 -1.91 -1.45 114.58 122.66 1fiu h GLU 259 Ca 0.16 -0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 1fiu h GLU 259 Cb 0.99 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1fiu h GLU 259 CO 0.94 0.50 -0.29 0.38 -1.16 0.00 0.00 179.01 179.38 1fiu h ASP 260 N 0.29 0.99 -0.53 1.42 2.03 -1.99 -1.39 116.42 117.24 1fiu h ASP 260 Ca 0.05 -0.43 -0.11 0.00 -0.73 0.00 0.00 57.03 55.81 1fiu h ASP 260 Cb 0.50 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.70 1fiu h ASP 260 CO 0.03 1.21 -0.11 0.00 -1.03 0.00 0.00 179.24 179.34 1fiu h ALA 261 N 0.81 0.78 -0.34 4.15 0.00 -1.93 -0.81 119.26 121.92 1fiu h ALA 261 Ca 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1fiu h ALA 261 Cb 0.88 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1fiu h ALA 261 CO 0.08 0.67 0.08 1.25 0.00 0.00 0.00 179.25 181.33 1fiu h LEU 262 N 0.91 0.51 -0.56 0.00 6.46 -1.20 0.63 115.31 122.07 1fiu h LEU 262 Ca 0.14 -0.23 0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1fiu h LEU 262 Cb 0.68 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1fiu h LEU 262 CO 0.05 0.61 0.35 0.44 -0.62 0.00 0.00 178.44 179.27 1fiu h ASP 263 N 0.39 0.58 -0.53 1.25 3.32 -1.05 -1.50 116.42 118.87 1fiu h ASP 263 Ca 0.11 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1fiu h ASP 263 Cb 0.30 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1fiu h ASP 263 CO 0.00 0.41 0.08 0.25 -1.72 0.00 0.00 179.24 178.26 1fiu h LEU 264 N 0.70 0.86 -0.19 1.55 5.85 -0.89 -1.35 115.31 121.84 1fiu h LEU 264 Ca 0.22 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1fiu h LEU 264 Cb -0.02 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1fiu h LEU 264 CO -0.08 0.91 -0.19 0.15 -0.34 0.00 0.00 178.44 178.89 1fiu h PHE 265 N 0.78 -0.50 -0.10 1.25 3.57 -0.53 -1.73 116.94 119.67 1fiu h PHE 265 Ca 0.16 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1fiu h PHE 265 Cb 0.42 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1fiu h PHE 265 CO 0.03 -0.27 -0.30 1.88 -2.23 0.00 0.00 178.31 177.42 1fiu h TYR 266 N -0.21 0.21 -0.42 0.41 -1.99 -1.00 -0.44 116.97 113.53 1fiu h TYR 266 Ca 0.12 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 1fiu h TYR 266 Cb 0.39 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 1fiu h TYR 266 CO -0.33 0.48 0.24 0.82 -0.00 0.00 0.00 178.16 179.37 1fiu h ILE 267 N 0.17 1.15 -0.37 -2.88 2.04 -0.86 0.24 117.51 116.99 1fiu h ILE 267 Ca 0.02 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 1fiu h ILE 267 Cb 0.63 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1fiu h ILE 267 CO 0.05 0.15 -0.24 0.24 0.00 0.00 0.00 178.15 178.35 1fiu h MET 268 N 0.55 0.82 -0.02 2.37 2.86 -0.90 -0.45 114.93 120.17 1fiu h MET 268 Ca 0.15 -0.38 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 1fiu h MET 268 Cb 0.03 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1fiu h MET 268 CO -0.03 1.02 -0.11 0.28 1.06 0.00 0.00 176.91 179.13 1fiu h VAL 269 N 0.62 1.51 0.00 -2.22 2.07 -0.99 0.21 116.25 117.46 1fiu h VAL 269 Ca 0.08 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 65.89 1fiu h VAL 269 Cb 0.80 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1fiu h VAL 269 CO 0.07 0.45 -0.24 0.78 0.02 0.00 0.00 177.57 178.64 1fiu h ASN 270 N -0.52 0.00 -0.20 0.57 2.35 -0.62 -2.34 115.58 114.82 1fiu h ASN 270 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1fiu h ASN 270 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1fiu h ASN 270 CO 0.02 0.24 0.00 0.61 -1.65 0.00 0.00 177.43 176.65 1fiu n GLY 271 N -0.33 -0.04 3.85 2.83 0.00 -0.18 -4.92 105.19 106.41 1fiu n GLY 271 Ca -0.01 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1fiu n GLY 271 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fiu n LYS 272 N 0.09 -5.94 -0.00 1.61 5.02 -0.88 -4.87 118.16 113.20 1fiu n LYS 272 Ca 0.08 0.64 0.04 0.00 -2.02 0.00 0.00 58.31 57.05 1fiu n LYS 272 Cb 0.18 -5.55 -0.05 0.00 -0.02 0.00 0.00 35.03 29.59 1fiu n LYS 272 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1fiu n ARG 273 N -4.72 2.76 -3.77 1.97 5.12 0.72 -4.87 116.66 113.86 1fiu n ARG 273 Ca 0.02 -0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.77 1fiu n ARG 273 Cb 0.54 -1.01 -0.14 0.00 -1.16 0.00 0.00 32.46 30.69 1fiu n ARG 273 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1fiu s LEU 274 N -2.84 0.97 0.00 0.55 2.96 -0.97 -1.56 118.68 117.79 1fiu s LEU 274 Ca 0.01 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1fiu s LEU 274 Cb 0.06 0.30 -0.01 0.00 0.50 0.00 0.00 46.19 47.04 1fiu s LEU 274 CO 0.35 -0.12 0.10 0.29 -1.32 0.00 0.00 176.35 175.65 1fiu n LYS 275 N 3.93 0.49 -3.36 1.98 5.02 -0.18 -4.34 118.16 121.70 1fiu n LYS 275 Ca -0.23 -1.57 -0.25 0.00 -2.02 0.00 0.00 58.31 54.24 1fiu n LYS 275 Cb 0.53 1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 36.58 1fiu n LYS 275 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1fiu s ASP 276 N -2.12 6.33 0.40 4.39 2.15 -1.26 -0.72 116.67 125.83 1fiu s ASP 276 Ca 0.14 0.51 0.13 0.00 0.43 0.00 0.00 52.55 53.76 1fiu s ASP 276 Cb 0.01 -2.06 0.95 0.00 -0.30 0.00 0.00 42.92 41.52 1fiu s ASP 276 CO 0.10 -0.27 1.90 -0.29 -0.17 0.00 0.00 175.17 176.44 1fiu h ILE 277 N 0.90 0.82 0.00 4.11 6.09 -1.32 -0.15 117.51 127.96 1fiu h ILE 277 Ca -0.49 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 1fiu h ILE 277 Cb 1.21 0.24 0.00 0.00 0.47 0.00 0.00 36.82 38.74 1fiu h ILE 277 CO 0.63 0.10 0.00 -1.54 -3.07 0.00 0.00 178.15 174.26 1fiu n SER 278 N -4.51 0.53 0.13 2.19 3.41 -1.26 -1.95 113.62 112.16 1fiu n SER 278 Ca 0.15 0.65 0.04 0.00 -0.26 0.00 0.00 58.87 59.45 1fiu n SER 278 Cb 0.49 -0.76 0.02 0.00 -0.26 0.00 0.00 64.21 63.70 1fiu n SER 278 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1fiu h ASP 279 N 0.00 0.00 -0.19 4.04 3.32 -1.40 -3.39 116.42 118.80 1fiu h ASP 279 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1fiu h ASP 279 Cb 0.28 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1fiu h ASP 279 CO 0.00 0.43 -0.00 0.25 -1.72 0.00 0.00 179.24 178.20 1fiu h LEU 280 N 0.00 -0.08 -0.47 1.55 5.85 -1.43 -1.35 115.31 119.38 1fiu h LEU 280 Ca -0.03 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1fiu h LEU 280 Cb 1.36 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 1fiu h LEU 280 CO 0.05 -0.02 0.15 -0.65 -0.34 0.00 0.00 178.44 177.63 1fiu h PRO 281 N 0.05 0.30 -0.37 5.25 0.11 -1.76 -0.32 132.00 135.27 1fiu h PRO 281 Ca 0.09 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 1fiu h PRO 281 Cb 0.11 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1fiu h PRO 281 CO -0.15 0.20 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.64 1fiu h LEU 282 N 0.31 0.65 -1.66 2.35 3.38 -1.77 -2.51 115.31 116.06 1fiu h LEU 282 Ca 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1fiu h LEU 282 Cb 0.24 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1fiu h LEU 282 CO -0.24 0.80 -0.14 0.44 0.09 0.00 0.00 178.44 179.39 1fiu h ASP 283 N 0.60 0.00 0.44 -0.43 3.32 -0.25 -1.03 116.42 119.07 1fiu h ASP 283 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1fiu h ASP 283 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1fiu h ASP 283 CO 0.04 0.14 0.00 0.18 -1.72 0.00 0.00 179.24 177.88 1fiu n LEU 284 N -3.48 0.00 -1.09 1.55 4.77 -0.22 -3.32 117.00 115.21 1fiu n LEU 284 Ca -0.01 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 1fiu n LEU 284 Cb 0.30 -0.23 0.21 0.00 -2.33 0.00 0.00 43.42 41.37 1fiu n LEU 284 CO 0.30 -0.01 0.70 0.00 -1.33 0.00 0.00 177.39 177.05 1fiu n ALA 285 N -1.23 2.43 0.17 -1.18 0.00 -0.39 -5.09 120.51 115.22 1fiu n ALA 285 Ca 0.15 -0.92 0.01 0.00 0.00 0.00 0.00 53.44 52.69 1fiu n ALA 285 Cb 0.21 -0.88 0.08 0.00 0.00 0.00 0.00 19.45 18.86 1fiu n ALA 285 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83