#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srr s GLU 4 N 0.00 4.42 -0.05 1.20 0.41 -1.26 -4.83 118.70 118.60 1srr s GLU 4 Ca 0.00 2.01 0.03 0.00 -0.41 0.00 0.00 54.97 56.61 1srr s GLU 4 Cb 0.00 -3.19 -0.03 0.00 -1.78 0.00 0.00 34.13 29.13 1srr s GLU 4 CO 0.00 -0.18 -0.13 0.15 -0.49 0.00 0.00 175.26 174.61 1srr s LYS 5 N -0.37 2.52 -0.06 1.61 1.02 -1.26 0.24 119.74 123.44 1srr s LYS 5 Ca 0.54 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.87 1srr s LYS 5 Cb -0.36 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1srr s LYS 5 CO 0.39 0.63 -0.12 0.42 -0.92 0.00 0.00 175.35 175.75 1srr s ILE 6 N -0.76 1.08 -0.21 2.17 1.01 -0.32 -0.88 121.20 123.30 1srr s ILE 6 Ca 0.12 -0.46 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 1srr s ILE 6 Cb -0.11 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1srr s ILE 6 CO 0.01 0.34 0.05 -0.22 0.00 0.00 0.00 174.94 175.12 1srr s LEU 7 N 0.59 3.55 -0.34 2.97 2.96 -0.20 -0.87 118.68 127.34 1srr s LEU 7 Ca -0.13 -0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 1srr s LEU 7 Cb -0.15 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 1srr s LEU 7 CO 0.03 0.07 0.20 -0.63 -1.32 0.00 0.00 176.35 174.71 1srr s ILE 8 N 0.96 4.86 -0.34 6.68 -1.09 -0.07 -1.22 121.20 130.97 1srr s ILE 8 Ca 0.03 -0.45 -0.11 0.00 -2.23 0.00 0.00 60.65 57.90 1srr s ILE 8 Cb -0.14 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 1srr s ILE 8 CO 0.03 -0.03 0.18 -0.69 -1.23 0.00 0.00 174.94 173.20 1srr s VAL 9 N 1.64 4.66 -0.27 2.92 1.01 0.02 -1.35 120.40 129.03 1srr s VAL 9 Ca 0.05 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 1srr s VAL 9 Cb -0.18 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.81 1srr s VAL 9 CO 0.08 -0.07 0.71 -0.62 0.00 0.00 0.00 175.10 175.20 1srr s ASP 10 N 1.60 -0.82 0.53 3.32 -1.08 -0.41 -1.66 116.67 118.15 1srr s ASP 10 Ca 0.04 1.47 0.34 0.00 -0.52 0.00 0.00 52.55 53.88 1srr s ASP 10 Cb -0.18 1.44 1.42 0.00 -1.46 0.00 0.00 42.92 44.14 1srr s ASP 10 CO 0.07 -0.25 1.99 -2.24 0.52 0.00 0.00 175.17 175.26 1srr h ASP 11 N 5.69 0.00 -3.57 -0.34 2.03 -1.82 -3.37 116.42 115.05 1srr h ASP 11 Ca -0.29 0.00 -0.71 0.00 -0.73 0.00 0.00 57.03 55.30 1srr h ASP 11 Cb 1.18 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.47 1srr h ASP 11 CO 0.09 0.00 -0.46 -1.10 -1.03 0.00 0.00 179.24 176.74 1srr s GLN 12 N -3.67 3.08 0.11 4.15 -0.21 -1.26 -5.00 119.66 116.86 1srr s GLN 12 Ca 0.01 -0.93 -0.34 0.00 0.02 0.00 0.00 55.36 54.12 1srr s GLN 12 Cb 0.09 -3.88 -0.13 0.00 1.00 0.00 0.00 33.01 30.09 1srr s GLN 12 CO 0.51 -0.66 1.56 0.77 -2.12 0.00 0.00 175.29 175.36 1srr h SER 13 N 8.56 -1.53 -0.39 5.90 0.02 -1.98 0.31 113.55 124.43 1srr h SER 13 Ca -0.28 0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1srr h SER 13 Cb 1.13 0.57 -0.05 0.00 0.14 0.00 0.00 62.40 64.19 1srr h SER 13 CO 0.69 -0.54 -0.23 0.61 -1.14 0.00 0.00 176.83 176.22 1srr n GLY 14 N -1.48 -2.56 0.29 -3.77 0.00 -1.26 0.31 105.19 96.72 1srr n GLY 14 Ca -0.08 0.76 -0.08 0.00 0.00 0.00 0.00 46.02 46.62 1srr n GLY 14 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1srr h ILE 15 N 0.00 1.25 -0.59 -0.61 2.10 -1.95 -1.80 117.51 115.91 1srr h ILE 15 Ca 0.06 -0.89 -0.00 0.00 1.08 0.00 0.00 64.86 65.12 1srr h ILE 15 Cb 0.16 0.64 -0.03 0.00 -1.09 0.00 0.00 36.82 36.50 1srr h ILE 15 CO -0.37 0.33 0.36 -0.09 -1.08 0.00 0.00 178.15 177.31 1srr h ARG 16 N 0.90 0.80 -0.07 2.19 2.43 -0.23 -1.31 114.38 119.10 1srr h ARG 16 Ca 0.20 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1srr h ARG 16 Cb 0.33 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1srr h ARG 16 CO -0.00 0.57 -0.45 0.82 -1.51 0.00 0.00 179.97 179.39 1srr h ILE 17 N 0.80 1.33 -0.39 1.20 2.04 0.09 -1.47 117.51 121.10 1srr h ILE 17 Ca 0.21 -1.60 -0.09 0.00 1.00 0.00 0.00 64.86 64.38 1srr h ILE 17 Cb -0.03 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1srr h ILE 17 CO -0.04 0.47 -0.11 0.25 0.00 0.00 0.00 178.15 178.72 1srr h LEU 18 N 0.13 0.78 -0.59 1.44 5.85 -0.92 -2.88 115.31 119.12 1srr h LEU 18 Ca 0.01 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 1srr h LEU 18 Cb 0.85 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1srr h LEU 18 CO 0.07 0.97 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.01 1srr h LEU 19 N 0.58 1.05 -0.38 2.25 3.38 -1.09 -2.53 115.31 118.57 1srr h LEU 19 Ca 0.10 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1srr h LEU 19 Cb 0.64 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1srr h LEU 19 CO 0.04 1.13 0.08 -1.13 0.09 0.00 0.00 178.44 178.65 1srr h ASN 20 N 0.96 0.02 -0.85 -0.43 -0.73 -1.23 -2.23 115.58 111.09 1srr h ASN 20 Ca 0.16 0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 1srr h ASN 20 Cb 0.63 0.08 -0.04 0.00 0.27 0.00 0.00 38.32 39.26 1srr h ASN 20 CO 0.04 0.05 0.50 -0.08 -0.37 0.00 0.00 177.43 177.56 1srr h GLU 21 N 0.21 1.18 -0.72 6.67 4.57 -1.28 0.74 114.58 125.95 1srr h GLU 21 Ca 0.18 -0.12 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1srr h GLU 21 Cb 0.21 -0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 1srr h GLU 21 CO -0.24 0.84 0.39 0.28 -1.18 0.00 0.00 179.01 179.10 1srr h VAL 22 N 1.19 0.91 0.00 0.32 2.07 -0.99 0.28 116.25 120.03 1srr h VAL 22 Ca 0.31 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1srr h VAL 22 Cb -0.01 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1srr h VAL 22 CO -0.05 0.12 -0.54 0.49 0.02 0.00 0.00 177.57 177.61 1srr n PHE 23 N -4.80 0.54 0.05 1.57 3.72 -0.89 -3.01 117.46 114.64 1srr n PHE 23 Ca 0.11 0.16 -0.20 0.00 -0.05 0.00 0.00 57.45 57.46 1srr n PHE 23 Cb 0.23 -0.65 -0.14 0.00 -0.94 0.00 0.00 39.48 37.98 1srr n PHE 23 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1srr h ASN 24 N 0.00 0.50 0.00 4.37 -0.26 -0.28 -1.59 115.58 118.33 1srr h ASN 24 Ca 0.00 -0.94 0.00 0.00 -0.56 0.00 0.00 56.30 54.80 1srr h ASN 24 Cb 0.72 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1srr h ASN 24 CO 0.00 1.40 0.02 0.29 -1.06 0.00 0.00 177.43 178.09 1srr n LYS 25 N -4.10 0.10 0.00 0.81 5.02 0.92 -0.21 118.16 120.70 1srr n LYS 25 Ca -0.14 0.60 0.11 0.00 -2.02 0.00 0.00 58.31 56.86 1srr n LYS 25 Cb 0.83 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1srr n LYS 25 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1srr n GLU 26 N -2.06 0.41 -0.01 1.97 -0.58 -1.08 -4.95 120.64 114.35 1srr n GLU 26 Ca -0.01 -0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 1srr n GLU 26 Cb 0.05 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1srr n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1srr n GLY 27 N 1.47 1.00 3.85 0.62 0.00 0.70 -5.03 105.19 107.80 1srr n GLY 27 Ca 0.06 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1srr n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1srr s TYR 28 N -2.00 3.61 -0.62 1.61 2.02 -0.62 -4.30 117.35 117.05 1srr s TYR 28 Ca 0.00 0.91 -0.26 0.00 -0.37 0.00 0.00 57.07 57.36 1srr s TYR 28 Cb 0.00 -2.25 0.04 0.00 -0.40 0.00 0.00 41.96 39.35 1srr s TYR 28 CO 0.00 0.50 1.09 -1.14 -1.57 0.00 0.00 175.55 174.43 1srr s GLN 29 N -1.84 3.32 0.00 -0.62 0.74 0.14 -4.34 119.66 117.06 1srr s GLN 29 Ca 0.34 -0.19 -0.01 0.00 0.05 0.00 0.00 55.36 55.55 1srr s GLN 29 Cb -0.15 -4.09 -0.04 0.00 1.10 0.00 0.00 33.01 29.83 1srr s GLN 29 CO 0.18 -1.74 0.14 0.95 -0.55 0.00 0.00 175.29 174.28 1srr s THR 30 N 4.65 5.13 0.22 -0.34 -4.23 -1.26 -1.17 115.64 118.64 1srr s THR 30 Ca 0.34 -0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.63 1srr s THR 30 Cb -0.11 -3.39 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 1srr s THR 30 CO 0.19 0.30 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.06 1srr s PHE 31 N -1.30 1.82 0.00 3.99 0.08 -0.05 -4.95 117.98 117.57 1srr s PHE 31 Ca 0.27 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.79 1srr s PHE 31 Cb -0.12 -0.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1srr s PHE 31 CO 0.18 0.42 -0.05 -0.65 -0.10 0.00 0.00 175.22 175.02 1srr s GLN 32 N -3.63 0.36 0.02 0.44 -0.21 -1.26 -0.89 119.66 114.50 1srr s GLN 32 Ca 0.24 -0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.37 1srr s GLN 32 Cb -0.01 -0.30 -0.02 0.00 1.00 0.00 0.00 33.01 33.68 1srr s GLN 32 CO 0.08 0.08 -0.04 0.00 -2.12 0.00 0.00 175.29 173.29 1srr s ALA 33 N -0.35 0.27 -1.30 6.09 0.00 -0.46 -4.94 121.76 121.09 1srr s ALA 33 Ca -0.01 -0.51 0.12 0.00 0.00 0.00 0.00 51.96 51.56 1srr s ALA 33 Cb -0.03 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1srr s ALA 33 CO -0.00 -0.06 0.79 0.00 0.00 0.00 0.00 175.76 176.49 1srr n ALA 34 N 1.95 2.69 -3.62 0.00 0.00 -1.26 -1.29 120.51 118.98 1srr n ALA 34 Ca -0.20 -0.53 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 1srr n ALA 34 Cb 0.56 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 1srr n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1srr s ASN 35 N -1.25 -0.35 0.60 0.00 2.20 -1.26 -4.11 114.94 110.77 1srr s ASN 35 Ca 0.12 -0.24 0.37 0.00 -0.94 0.00 0.00 52.86 52.16 1srr s ASN 35 Cb 0.10 0.55 1.95 0.00 -2.00 0.00 0.00 41.25 41.85 1srr s ASN 35 CO 0.22 -0.96 2.23 1.23 -2.94 0.00 0.00 177.10 176.87 1srr h GLY 36 N 2.00 0.00 0.40 0.45 0.00 -1.98 -1.42 103.07 102.52 1srr h GLY 36 Ca -0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1srr h GLY 36 CO 0.30 0.00 -0.04 0.17 0.00 0.00 0.00 176.54 176.97 1srr h LEU 37 N 0.00 0.05 -0.37 3.11 8.10 -1.99 -1.26 115.31 122.95 1srr h LEU 37 Ca -0.00 -0.64 -0.00 0.00 0.11 0.00 0.00 57.88 57.34 1srr h LEU 37 Cb 0.16 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.35 1srr h LEU 37 CO 0.00 0.68 0.21 1.56 -4.11 0.00 0.00 178.44 176.79 1srr h GLN 38 N -0.58 0.50 0.27 0.17 4.20 -1.93 -1.30 115.11 116.44 1srr h GLN 38 Ca -0.00 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1srr h GLN 38 Cb 0.68 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1srr h GLN 38 CO 0.01 0.39 -0.33 0.00 -0.67 0.00 0.00 178.83 178.23 1srr h ALA 39 N 1.08 -0.67 -0.99 3.87 0.00 -1.30 -0.82 119.26 120.43 1srr h ALA 39 Ca 0.13 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.18 1srr h ALA 39 Cb 0.02 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 1srr h ALA 39 CO -0.02 -0.92 0.64 -0.07 0.00 0.00 0.00 179.25 178.88 1srr h LEU 40 N -0.65 0.47 0.07 0.00 4.07 -0.83 0.27 115.31 118.72 1srr h LEU 40 Ca -0.00 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 1srr h LEU 40 Cb 0.62 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1srr h LEU 40 CO -0.10 0.14 -0.03 -0.78 -1.08 0.00 0.00 178.44 176.58 1srr h ASP 41 N 0.44 -0.08 -0.75 -0.43 3.58 -0.08 -2.38 116.42 116.71 1srr h ASP 41 Ca 0.55 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.85 1srr h ASP 41 Cb 1.33 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.36 1srr h ASP 41 CO -0.26 0.05 0.29 0.40 -2.88 0.00 0.00 179.24 176.84 1srr h ILE 42 N -0.21 1.26 -0.56 2.25 2.04 0.28 0.71 117.51 123.26 1srr h ILE 42 Ca -0.01 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1srr h ILE 42 Cb 0.18 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1srr h ILE 42 CO 0.02 0.33 0.36 0.58 0.00 0.00 0.00 178.15 179.44 1srr h VAL 43 N 1.11 1.11 -0.37 1.67 2.07 -1.00 0.93 116.25 121.78 1srr h VAL 43 Ca 0.25 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1srr h VAL 43 Cb 0.23 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1srr h VAL 43 CO -0.02 0.13 0.24 0.74 0.02 0.00 0.00 177.57 178.69 1srr h THR 44 N 0.72 1.09 0.15 2.57 2.02 -0.82 0.62 112.91 119.26 1srr h THR 44 Ca 0.22 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1srr h THR 44 Cb -0.04 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1srr h THR 44 CO -0.07 0.09 -0.07 0.11 0.37 0.00 0.00 175.52 175.95 1srr h LYS 45 N 0.50 -0.19 0.00 6.66 1.79 -0.53 -3.40 116.57 121.41 1srr h LYS 45 Ca 0.13 0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.48 1srr h LYS 45 Cb -0.06 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1srr h LYS 45 CO -0.03 0.22 -1.64 0.39 -1.08 0.00 0.00 179.45 177.32 1srr n GLU 46 N -4.89 0.64 -3.66 3.15 -0.58 0.32 -5.02 120.64 110.60 1srr n GLU 46 Ca -0.07 0.07 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1srr n GLU 46 Cb 0.25 -1.70 0.04 0.00 -0.57 0.00 0.00 31.44 29.46 1srr n GLU 46 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1srr n ARG 47 N -2.68 -1.23 -1.25 3.49 1.74 0.22 -4.91 116.66 112.03 1srr n ARG 47 Ca -0.10 0.51 -0.33 0.00 -0.77 0.00 0.00 57.85 57.16 1srr n ARG 47 Cb 0.78 -4.12 0.11 0.00 -1.02 0.00 0.00 32.46 28.21 1srr n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1srr s PRO 48 N -5.82 1.97 0.09 5.56 0.05 -1.26 -4.96 135.00 130.62 1srr s PRO 48 Ca 0.44 1.53 -0.14 0.00 0.05 0.00 0.00 61.00 62.89 1srr s PRO 48 Cb -0.16 -1.84 -0.17 0.00 0.05 0.00 0.00 34.50 32.39 1srr s PRO 48 CO 0.86 -1.92 1.29 -0.44 0.05 0.00 0.00 177.00 176.83 1srr h ASP 49 N -0.82 0.91 -4.84 6.66 3.32 -1.36 -3.42 116.42 116.87 1srr h ASP 49 Ca -0.45 -0.64 -0.24 0.00 0.02 0.00 0.00 57.03 55.72 1srr h ASP 49 Cb 1.27 -0.27 -0.21 0.00 0.22 0.00 0.00 39.33 40.34 1srr h ASP 49 CO 0.48 1.40 -0.72 -0.22 -1.72 0.00 0.00 179.24 178.46 1srr s LEU 50 N -8.43 2.25 -0.03 1.55 2.96 -1.04 -1.93 118.68 114.01 1srr s LEU 50 Ca -0.11 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.31 1srr s LEU 50 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 46.19 46.69 1srr s LEU 50 CO 0.90 -0.24 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.82 1srr s VAL 51 N -1.43 1.46 -0.51 1.68 1.01 -0.20 -1.04 120.40 121.38 1srr s VAL 51 Ca -0.12 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1srr s VAL 51 Cb -0.10 -1.24 0.13 0.00 0.00 0.00 0.00 36.38 35.17 1srr s VAL 51 CO -0.00 0.42 0.40 -0.76 0.00 0.00 0.00 175.10 175.15 1srr s LEU 52 N -0.14 5.83 -0.29 3.92 1.02 -0.36 -1.32 118.68 127.34 1srr s LEU 52 Ca 0.00 -1.96 -0.07 0.00 0.02 0.00 0.00 54.13 52.12 1srr s LEU 52 Cb -0.10 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.06 1srr s LEU 52 CO 0.01 -0.71 0.08 -0.22 0.02 0.00 0.00 176.35 175.53 1srr s LEU 53 N 1.31 3.79 -0.15 1.79 2.96 -0.23 -0.80 118.68 127.35 1srr s LEU 53 Ca 0.06 -0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 53.05 1srr s LEU 53 Cb -0.26 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1srr s LEU 53 CO -0.00 -0.17 1.54 -0.62 -1.32 0.00 0.00 176.35 175.78 1srr s ASP 54 N 1.52 6.62 0.00 3.68 2.15 -0.66 -0.12 116.67 129.86 1srr s ASP 54 Ca 0.03 1.85 0.27 0.00 0.43 0.00 0.00 52.55 55.13 1srr s ASP 54 Cb -0.17 -2.53 0.95 0.00 -0.30 0.00 0.00 42.92 40.87 1srr s ASP 54 CO 0.03 -1.02 1.69 0.23 -0.17 0.00 0.00 175.17 175.92 1srr n MET 55 N 7.23 0.93 -3.66 4.34 2.81 -0.72 -4.50 117.12 123.55 1srr n MET 55 Ca 0.17 -0.49 -0.37 0.00 -1.81 0.00 0.00 57.70 55.20 1srr n MET 55 Cb 0.44 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.38 1srr n MET 55 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1srr s LYS 56 N -2.41 2.92 -0.06 0.03 2.20 -1.26 -4.46 119.74 116.70 1srr s LYS 56 Ca 0.28 -2.84 -0.00 0.00 -0.36 0.00 0.00 55.97 53.05 1srr s LYS 56 Cb 0.20 -3.86 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1srr s LYS 56 CO 0.48 -1.22 -0.03 0.42 -0.36 0.00 0.00 175.35 174.63 1srr s ILE 57 N -0.58 0.55 -0.08 5.43 1.01 -1.26 -4.78 121.20 121.48 1srr s ILE 57 Ca 0.21 -0.06 -0.35 0.00 0.00 0.00 0.00 60.65 60.46 1srr s ILE 57 Cb -0.14 -0.63 -0.12 0.00 0.01 0.00 0.00 42.46 41.58 1srr s ILE 57 CO -0.07 0.26 1.84 -2.65 0.00 0.00 0.00 174.94 174.32 1srr n PRO 58 N 4.59 2.07 0.00 2.79 -0.02 -1.26 -0.06 135.00 143.10 1srr n PRO 58 Ca -0.16 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1srr n PRO 58 Cb 0.50 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1srr n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1srr n GLY 59 N 4.29 2.68 3.71 -1.23 0.00 -1.26 -5.01 105.19 108.36 1srr n GLY 59 Ca 0.22 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1srr n GLY 59 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1srr s MET 60 N 0.00 4.24 -0.76 1.61 0.00 0.91 -4.99 119.30 120.30 1srr s MET 60 Ca 0.00 2.27 -0.14 0.00 0.00 0.00 0.00 55.69 57.82 1srr s MET 60 Cb 0.00 -3.33 0.20 0.00 0.00 0.00 0.00 34.83 31.70 1srr s MET 60 CO 0.00 -0.61 0.70 0.34 0.00 0.00 0.00 175.02 175.45 1srr s ASP 61 N 1.54 6.56 0.40 1.11 -1.08 -1.26 -4.54 116.67 119.41 1srr s ASP 61 Ca 0.70 -2.54 0.08 0.00 -0.52 0.00 0.00 52.55 50.27 1srr s ASP 61 Cb -0.40 -2.18 0.87 0.00 -1.46 0.00 0.00 42.92 39.74 1srr s ASP 61 CO 0.31 -0.61 2.03 1.23 0.52 0.00 0.00 175.17 178.65 1srr h GLY 62 N 7.93 0.65 1.69 2.66 0.00 -1.90 -1.14 103.07 112.95 1srr h GLY 62 Ca 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1srr h GLY 62 CO 0.80 0.20 -0.10 -2.22 0.00 0.00 0.00 176.54 175.22 1srr h ILE 63 N 0.57 1.20 -0.00 2.60 1.08 -1.93 -0.75 117.51 120.28 1srr h ILE 63 Ca 0.21 -0.86 -0.27 0.00 -0.39 0.00 0.00 64.86 63.55 1srr h ILE 63 Cb 0.11 1.13 0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1srr h ILE 63 CO -0.05 0.28 -1.04 -0.08 -0.69 0.00 0.00 178.15 176.57 1srr h GLU 64 N 0.36 0.71 -0.25 2.37 4.57 -1.68 -2.35 114.58 118.32 1srr h GLU 64 Ca 0.07 -0.76 -0.07 0.00 -1.18 0.00 0.00 59.36 57.42 1srr h GLU 64 Cb 0.40 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1srr h GLU 64 CO 0.02 1.33 -0.15 -0.84 -1.18 0.00 0.00 179.01 178.19 1srr h ILE 65 N 0.40 1.23 -0.50 2.32 -0.00 -0.94 -1.39 117.51 118.63 1srr h ILE 65 Ca -0.13 -1.03 0.01 0.00 -0.00 0.00 0.00 64.86 63.71 1srr h ILE 65 Cb 1.69 1.21 -0.03 0.00 -0.00 0.00 0.00 36.82 39.70 1srr h ILE 65 CO 0.20 0.33 0.33 0.25 -0.00 0.00 0.00 178.15 179.26 1srr h LEU 66 N 0.39 0.56 -1.20 0.16 6.46 -1.11 0.02 115.31 120.60 1srr h LEU 66 Ca 0.07 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1srr h LEU 66 Cb 0.51 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1srr h LEU 66 CO 0.03 0.40 -0.04 0.11 -0.62 0.00 0.00 178.44 178.33 1srr h LYS 67 N 0.67 0.51 -0.03 1.25 1.57 -0.83 -3.03 116.57 116.67 1srr h LYS 67 Ca 0.19 -0.12 -0.25 0.00 -1.87 0.00 0.00 60.65 58.61 1srr h LYS 67 Cb -0.06 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.20 1srr h LYS 67 CO -0.05 0.56 -0.94 0.00 -0.57 0.00 0.00 179.45 178.46 1srr h ARG 68 N 0.48 0.69 -0.77 3.15 3.08 -0.73 -3.07 114.38 117.22 1srr h ARG 68 Ca 0.10 -0.70 0.12 0.00 0.07 0.00 0.00 59.98 59.57 1srr h ARG 68 Cb 0.37 0.19 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 1srr h ARG 68 CO 0.02 1.29 0.37 0.52 -1.07 0.00 0.00 179.97 181.10 1srr h MET 69 N 0.37 0.57 -0.06 0.04 2.86 -0.88 0.38 114.93 118.20 1srr h MET 69 Ca -0.11 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1srr h MET 69 Cb 1.59 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 1srr h MET 69 CO 0.19 0.38 -0.28 0.87 1.06 0.00 0.00 176.91 179.12 1srr h LYS 70 N 0.59 0.11 -0.01 1.72 1.79 -1.61 0.67 116.57 119.82 1srr h LYS 70 Ca 0.40 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.63 1srr h LYS 70 Cb 0.50 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1srr h LYS 70 CO -0.32 0.38 -0.87 0.28 -1.08 0.00 0.00 179.45 177.84 1srr h VAL 71 N 0.10 1.44 -0.11 0.50 2.07 -0.90 -1.84 116.25 117.51 1srr h VAL 71 Ca 0.01 -2.45 -0.20 0.00 0.82 0.00 0.00 66.70 64.89 1srr h VAL 71 Cb 0.55 2.37 0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1srr h VAL 71 CO 0.04 0.72 -0.70 0.40 0.02 0.00 0.00 177.57 178.05 1srr h ILE 72 N 0.18 1.32 -2.05 4.57 2.04 -0.47 -3.41 117.51 119.68 1srr h ILE 72 Ca -0.05 -1.96 -0.30 0.00 1.00 0.00 0.00 64.86 63.55 1srr h ILE 72 Cb 1.48 2.15 -0.32 0.00 -0.74 0.00 0.00 36.82 39.39 1srr h ILE 72 CO 0.14 0.61 -0.61 -0.62 0.00 0.00 0.00 178.15 177.66 1srr s ASP 73 N -6.95 1.40 0.00 1.72 2.15 0.23 -5.00 116.67 110.22 1srr s ASP 73 Ca -0.11 -0.68 0.14 0.00 0.43 0.00 0.00 52.55 52.33 1srr s ASP 73 Cb 0.07 0.64 0.70 0.00 -0.30 0.00 0.00 42.92 44.02 1srr s ASP 73 CO 0.87 -0.38 1.41 -1.84 -0.17 0.00 0.00 175.17 175.06 1srr n GLU 74 N 5.32 0.15 0.00 4.34 -0.00 -0.70 -2.54 120.64 127.21 1srr n GLU 74 Ca -0.01 0.18 0.12 0.00 -0.00 0.00 0.00 57.16 57.44 1srr n GLU 74 Cb 0.47 -1.50 0.07 0.00 -0.00 0.00 0.00 31.44 30.48 1srr n GLU 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1srr n ASN 75 N -1.34 2.76 -4.74 -1.84 5.03 -1.26 -4.95 115.26 108.91 1srr n ASN 75 Ca 0.06 -1.88 -0.41 0.00 0.87 0.00 0.00 54.58 53.22 1srr n ASN 75 Cb 0.13 0.12 -0.05 0.00 -1.02 0.00 0.00 39.78 38.96 1srr n ASN 75 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1srr s ILE 76 N -2.11 4.09 -0.01 2.41 2.07 -1.05 -4.95 121.20 121.64 1srr s ILE 76 Ca 0.26 1.87 0.03 0.00 -1.41 0.00 0.00 60.65 61.40 1srr s ILE 76 Cb 0.19 -4.19 -0.03 0.00 0.13 0.00 0.00 42.46 38.56 1srr s ILE 76 CO 0.37 0.35 -0.08 -0.13 -1.91 0.00 0.00 174.94 173.53 1srr s ARG 77 N -0.54 2.53 0.05 3.50 1.81 -0.81 -4.93 118.95 120.55 1srr s ARG 77 Ca 0.46 -0.72 0.06 0.00 -1.72 0.00 0.00 55.73 53.81 1srr s ARG 77 Cb -0.27 -2.47 -0.02 0.00 -0.45 0.00 0.00 34.95 31.73 1srr s ARG 77 CO 0.33 0.61 -0.17 0.08 -0.68 0.00 0.00 175.30 175.47 1srr s VAL 78 N -0.94 1.37 -0.16 3.52 1.01 -1.26 -1.03 120.40 122.91 1srr s VAL 78 Ca 0.16 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 1srr s VAL 78 Cb -0.11 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.08 1srr s VAL 78 CO 0.06 0.07 -0.08 -0.63 0.00 0.00 0.00 175.10 174.51 1srr s ILE 79 N -0.87 1.31 0.17 2.22 1.01 -0.43 0.21 121.20 124.82 1srr s ILE 79 Ca 0.04 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1srr s ILE 79 Cb -0.08 -1.39 -0.07 0.00 0.01 0.00 0.00 42.46 40.93 1srr s ILE 79 CO 0.02 0.23 0.52 0.27 0.00 0.00 0.00 174.94 175.98 1srr s ILE 80 N 1.56 4.94 -0.26 2.92 -4.36 -1.12 -1.06 121.20 123.82 1srr s ILE 80 Ca 0.02 0.57 -0.04 0.00 -0.26 0.00 0.00 60.65 60.94 1srr s ILE 80 Cb -0.15 -3.66 0.01 0.00 1.25 0.00 0.00 42.46 39.91 1srr s ILE 80 CO -0.08 0.10 -0.01 -0.04 0.24 0.00 0.00 174.94 175.14 1srr s MET 81 N -2.37 3.02 0.49 0.37 -1.94 0.84 -0.83 119.30 118.87 1srr s MET 81 Ca 0.42 -0.87 0.06 0.00 -1.71 0.00 0.00 55.69 53.59 1srr s MET 81 Cb -0.13 -3.12 0.03 0.00 2.01 0.00 0.00 34.83 33.62 1srr s MET 81 CO 0.20 -0.38 0.67 0.95 -0.01 0.00 0.00 175.02 176.46 1srr s THR 82 N 1.41 2.78 -0.78 2.05 -4.23 0.98 -1.75 115.64 116.10 1srr s THR 82 Ca 0.02 -0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 59.60 1srr s THR 82 Cb -0.16 -2.88 0.20 0.00 1.34 0.00 0.00 72.50 70.99 1srr s THR 82 CO -0.02 0.00 0.64 0.00 -0.54 0.00 0.00 174.62 174.70 1srr s ALA 83 N -2.53 3.96 -0.89 3.99 0.00 -1.26 -1.78 121.76 123.24 1srr s ALA 83 Ca 0.57 -3.54 -0.03 0.00 0.00 0.00 0.00 51.96 48.95 1srr s ALA 83 Cb -0.09 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1srr s ALA 83 CO 0.36 -2.15 0.76 0.98 0.00 0.00 0.00 175.76 175.71 1srr n TYR 84 N 3.00 -1.93 0.00 0.00 9.36 -1.24 -4.73 117.16 121.62 1srr n TYR 84 Ca 0.15 0.71 0.00 0.00 3.32 0.00 0.00 57.90 62.08 1srr n TYR 84 Cb 0.38 -4.03 0.00 0.00 -0.63 0.00 0.00 39.34 35.07 1srr n TYR 84 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1srr n GLY 85 N -1.23 0.00 3.24 2.98 0.00 -1.26 -4.99 105.19 103.93 1srr n GLY 85 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1srr n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1srr s GLU 86 N 0.00 3.15 0.27 1.61 -6.30 -1.26 -5.07 118.70 111.09 1srr s GLU 86 Ca 0.00 -0.76 -0.06 0.00 -2.50 0.00 0.00 54.97 51.65 1srr s GLU 86 Cb 0.00 -2.89 0.50 0.00 0.00 0.00 0.00 34.13 31.74 1srr s GLU 86 CO 0.00 -0.25 1.59 1.37 0.02 0.00 0.00 175.26 177.99 1srr h LEU 87 N 8.05 -0.64 -0.28 2.70 8.10 -1.99 -1.21 115.31 130.04 1srr h LEU 87 Ca -0.41 0.26 -0.20 0.00 0.11 0.00 0.00 57.88 57.64 1srr h LEU 87 Cb 1.14 0.50 0.00 0.00 -0.44 0.00 0.00 40.66 41.86 1srr h LEU 87 CO 0.61 -0.29 -0.77 0.44 -4.11 0.00 0.00 178.44 174.32 1srr h ASP 88 N 0.02 0.69 -0.26 0.17 3.32 -1.98 -1.89 116.42 116.49 1srr h ASP 88 Ca 0.47 -0.46 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1srr h ASP 88 Cb 0.83 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1srr h ASP 88 CO -0.87 1.23 -0.07 -0.03 -1.72 0.00 0.00 179.24 177.78 1srr h MET 89 N 0.39 0.51 -0.95 3.56 4.05 -1.86 0.08 114.93 120.70 1srr h MET 89 Ca -0.04 -0.20 0.01 0.00 -0.28 0.00 0.00 59.70 59.19 1srr h MET 89 Cb 1.37 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 32.09 1srr h MET 89 CO 0.14 0.73 0.63 0.82 0.23 0.00 0.00 176.91 179.46 1srr h ILE 90 N 0.26 1.23 -0.21 1.77 2.04 -1.28 -0.41 117.51 120.91 1srr h ILE 90 Ca 0.07 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1srr h ILE 90 Cb 0.54 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1srr h ILE 90 CO 0.03 0.23 -0.05 -0.61 0.00 0.00 0.00 178.15 177.75 1srr h GLN 91 N 1.27 0.40 -0.50 2.37 5.75 -1.00 -2.02 115.11 121.39 1srr h GLN 91 Ca 0.35 -0.16 -0.08 0.00 -0.15 0.00 0.00 58.65 58.62 1srr h GLN 91 Cb -0.12 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 1srr h GLN 91 CO -0.08 0.65 0.00 0.93 -2.65 0.00 0.00 178.83 177.68 1srr h GLU 92 N 0.13 0.83 -0.76 1.69 5.08 -0.75 -2.11 114.58 118.68 1srr h GLU 92 Ca 0.05 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1srr h GLU 92 Cb 0.51 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1srr h GLU 92 CO 0.02 0.83 0.39 0.66 -1.00 0.00 0.00 179.01 179.91 1srr h SER 93 N 0.77 0.98 -0.46 1.42 4.64 -0.98 0.25 113.55 120.17 1srr h SER 93 Ca 0.15 -0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1srr h SER 93 Cb 0.46 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 1srr h SER 93 CO 0.02 0.82 0.26 0.50 -0.87 0.00 0.00 176.83 177.57 1srr h LYS 94 N 1.07 0.51 -0.75 4.77 3.64 -1.15 0.18 116.57 124.84 1srr h LYS 94 Ca 0.27 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1srr h LYS 94 Cb 0.08 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1srr h LYS 94 CO -0.04 0.34 0.48 0.93 -2.27 0.00 0.00 179.45 178.89 1srr h GLU 95 N 0.53 0.91 0.00 1.90 5.08 -0.76 -1.63 114.58 120.60 1srr h GLU 95 Ca 0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1srr h GLU 95 Cb 0.04 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1srr h GLU 95 CO -0.10 0.60 0.00 1.28 -1.00 0.00 0.00 179.01 179.79 1srr n LEU 96 N -4.62 0.54 0.00 1.33 4.77 0.82 -4.86 117.00 114.97 1srr n LEU 96 Ca 0.08 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1srr n LEU 96 Cb 0.08 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1srr n LEU 96 CO 0.34 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 1srr n GLY 97 N 0.09 0.96 3.67 -0.72 0.00 0.07 -5.06 105.19 104.21 1srr n GLY 97 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1srr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srr n ALA 98 N -1.17 0.78 -0.03 4.61 0.00 0.42 -4.66 120.51 120.46 1srr n ALA 98 Ca 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 1srr n ALA 98 Cb 0.00 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.13 1srr n ALA 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1srr h LEU 99 N 0.99 0.17 0.00 0.00 4.07 -0.57 -3.43 115.31 116.53 1srr h LEU 99 Ca -0.49 -0.70 0.02 0.00 0.08 0.00 0.00 57.88 56.80 1srr h LEU 99 Cb 1.34 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 1srr h LEU 99 CO 0.54 0.84 0.17 1.07 -1.08 0.00 0.00 178.44 179.99 1srr n THR 100 N -4.60 0.00 -4.07 0.22 5.66 -1.26 -5.06 114.28 105.17 1srr n THR 100 Ca -0.09 -0.32 -0.14 0.00 -3.05 0.00 0.00 64.05 60.46 1srr n THR 100 Cb 0.43 0.36 -0.13 0.00 -1.55 0.00 0.00 70.33 69.43 1srr n THR 100 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1srr s HIS 101 N -5.40 0.45 -0.01 1.09 -3.43 -1.26 -2.77 115.29 103.96 1srr s HIS 101 Ca 0.08 -0.26 0.05 0.00 -0.80 0.00 0.00 55.06 54.13 1srr s HIS 101 Cb -0.02 -0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 30.84 1srr s HIS 101 CO 0.04 -0.05 -0.17 -0.06 -2.00 0.00 0.00 174.74 172.50 1srr s PHE 102 N -0.66 1.50 0.12 0.38 0.08 -0.01 -4.99 117.98 114.40 1srr s PHE 102 Ca -0.04 -0.29 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1srr s PHE 102 Cb -0.05 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1srr s PHE 102 CO -0.00 -0.02 0.17 0.00 -0.10 0.00 0.00 175.22 175.28 1srr s ALA 103 N -0.43 3.75 0.06 5.36 0.00 -1.26 -0.01 121.76 129.24 1srr s ALA 103 Ca 0.06 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1srr s ALA 103 Cb -0.07 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1srr s ALA 103 CO -0.00 0.63 0.08 0.15 0.00 0.00 0.00 175.76 176.62 1srr s LYS 104 N -2.85 2.93 0.30 0.00 1.02 -0.74 -3.39 119.74 117.01 1srr s LYS 104 Ca 0.32 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.37 1srr s LYS 104 Cb -0.11 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.34 1srr s LYS 104 CO 0.25 0.58 1.25 -1.25 -0.92 0.00 0.00 175.35 175.26 1srr s PRO 105 N -2.27 4.44 0.39 -1.68 0.04 -1.26 -3.66 135.00 131.00 1srr s PRO 105 Ca 0.28 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.47 1srr s PRO 105 Cb -0.12 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 1srr s PRO 105 CO 0.21 -0.08 0.50 -0.59 0.04 0.00 0.00 177.00 177.08 1srr s PHE 106 N -0.99 2.89 -0.55 0.56 -0.12 -1.22 -5.05 117.98 113.50 1srr s PHE 106 Ca 0.48 -0.35 -0.18 0.00 -0.05 0.00 0.00 56.93 56.83 1srr s PHE 106 Cb -0.37 -2.20 0.09 0.00 -0.63 0.00 0.00 43.02 39.91 1srr s PHE 106 CO 0.48 -0.22 0.62 0.34 -0.05 0.00 0.00 175.22 176.39 1srr s ASP 107 N -4.25 6.19 0.33 1.98 2.15 -1.26 -4.92 116.67 116.90 1srr s ASP 107 Ca 0.50 -1.30 0.02 0.00 0.43 0.00 0.00 52.55 52.20 1srr s ASP 107 Cb -0.09 -2.27 0.60 0.00 -0.30 0.00 0.00 42.92 40.86 1srr s ASP 107 CO 0.31 -0.97 1.97 0.40 -0.17 0.00 0.00 175.17 176.72 1srr h ILE 108 N 5.88 1.12 -0.67 4.11 5.03 -1.99 -0.40 117.51 130.59 1srr h ILE 108 Ca -0.29 -0.32 -0.02 0.00 -0.12 0.00 0.00 64.86 64.11 1srr h ILE 108 Cb 1.09 0.12 -0.03 0.00 -3.03 0.00 0.00 36.82 34.97 1srr h ILE 108 CO 1.03 0.17 0.33 0.44 -0.68 0.00 0.00 178.15 179.43 1srr h ASP 109 N 0.92 0.87 0.12 1.72 3.32 -1.99 -0.47 116.42 120.92 1srr h ASP 109 Ca 0.30 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 1srr h ASP 109 Cb 0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1srr h ASP 109 CO -0.09 0.75 -0.32 1.05 -1.72 0.00 0.00 179.24 178.91 1srr h GLU 110 N 0.93 0.31 -0.23 3.56 4.11 -1.62 0.81 114.58 122.44 1srr h GLU 110 Ca 0.23 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.50 1srr h GLU 110 Cb 0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1srr h GLU 110 CO -0.03 0.60 0.01 0.82 0.07 0.00 0.00 179.01 180.48 1srr h ILE 111 N 0.27 1.25 0.20 -1.06 1.08 -0.61 -0.05 117.51 118.59 1srr h ILE 111 Ca 0.03 -0.87 0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1srr h ILE 111 Cb 0.71 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.80 1srr h ILE 111 CO 0.05 0.27 -0.31 -0.09 -0.69 0.00 0.00 178.15 177.38 1srr h ARG 112 N 0.17 -0.57 -0.73 2.37 2.43 -0.83 0.02 114.38 117.25 1srr h ARG 112 Ca 0.07 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1srr h ARG 112 Cb 0.39 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 1srr h ARG 112 CO 0.01 -0.38 0.40 -0.44 -1.51 0.00 0.00 179.97 178.06 1srr h ASP 113 N -0.59 0.58 -0.13 -3.80 5.19 -0.82 -1.76 116.42 115.09 1srr h ASP 113 Ca 0.01 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1srr h ASP 113 Cb 0.58 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1srr h ASP 113 CO -0.13 0.35 0.08 0.00 -3.12 0.00 0.00 179.24 176.42 1srr h ALA 114 N 1.40 0.16 -0.10 3.45 0.00 0.03 -2.60 119.26 121.60 1srr h ALA 114 Ca 0.34 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1srr h ALA 114 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1srr h ALA 114 CO -0.22 -0.35 -0.47 -0.39 0.00 0.00 0.00 179.25 177.82 1srr h VAL 115 N 0.17 1.33 -0.03 0.00 -1.51 -0.73 -2.00 116.25 113.49 1srr h VAL 115 Ca 0.05 -1.66 -0.04 0.00 -1.23 0.00 0.00 66.70 63.81 1srr h VAL 115 Cb -0.02 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1srr h VAL 115 CO -0.01 0.50 -0.19 0.11 -1.23 0.00 0.00 177.57 176.74 1srr h LYS 116 N 0.21 0.04 0.09 5.19 1.57 -1.21 1.27 116.57 123.73 1srr h LYS 116 Ca 0.01 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1srr h LYS 116 Cb 0.91 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.23 1srr h LYS 116 CO 0.07 0.24 -1.16 -0.22 -0.57 0.00 0.00 179.45 177.82 1srr h LYS 117 N 0.04 0.49 0.07 3.15 3.64 -1.18 -2.39 116.57 120.39 1srr h LYS 117 Ca 0.01 -0.64 -0.27 0.00 -1.27 0.00 0.00 60.65 58.47 1srr h LYS 117 Cb 0.37 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1srr h LYS 117 CO 0.03 1.27 -1.34 1.88 -2.27 0.00 0.00 179.45 179.01 1srr h TYR 118 N 0.22 0.27 -2.14 1.91 0.05 -0.90 -3.39 116.97 112.99 1srr h TYR 118 Ca -0.15 -0.19 -0.56 0.00 0.05 0.00 0.00 58.73 57.88 1srr h TYR 118 Cb 1.83 -0.01 -0.41 0.00 1.01 0.00 0.00 36.73 39.15 1srr h TYR 118 CO 0.09 1.20 -0.84 -0.11 -1.05 0.00 0.00 178.16 177.45 1srr n LEU 119 N -3.38 2.63 -4.75 3.88 7.94 0.43 -5.07 117.00 118.68 1srr n LEU 119 Ca -0.10 -5.27 -0.42 0.00 -1.11 0.00 0.00 56.01 49.11 1srr n LEU 119 Cb 1.01 -0.08 -0.02 0.00 0.53 0.00 0.00 43.42 44.87 1srr n LEU 119 CO 0.49 2.20 1.26 -2.16 -1.11 0.00 0.00 177.39 178.07 1srr s PRO 120 N -2.49 4.12 0.00 1.96 0.04 -0.90 -4.56 135.00 133.16 1srr s PRO 120 Ca 0.42 2.59 0.22 0.00 0.04 0.00 0.00 61.00 64.27 1srr s PRO 120 Cb 0.23 -3.02 1.34 0.00 0.04 0.00 0.00 34.50 33.09 1srr s PRO 120 CO -0.08 -0.64 1.71 1.47 0.04 0.00 0.00 177.00 179.49