#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2flk s ASP 3 N 0.00 7.00 0.60 0.00 -1.08 -1.26 -4.92 116.67 117.01 2flk s ASP 3 Ca 0.00 2.35 0.32 0.00 -0.52 0.00 0.00 52.55 54.69 2flk s ASP 3 Cb 0.00 -2.61 1.90 0.00 -1.46 0.00 0.00 42.92 40.75 2flk s ASP 3 CO 0.00 -0.43 2.26 0.50 0.52 0.00 0.00 175.17 178.03 2flk h LYS 4 N 4.99 0.00 -0.34 4.34 3.64 -2.00 -1.37 116.57 125.84 2flk h LYS 4 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2flk h LYS 4 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2flk h LYS 4 CO 0.74 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.31 2flk n GLU 5 N -3.73 1.98 -1.65 1.90 -0.58 -1.26 -4.11 120.64 113.20 2flk n GLU 5 Ca -0.03 -1.51 -0.49 0.00 -0.42 0.00 0.00 57.16 54.71 2flk n GLU 5 Cb 0.10 -1.38 -0.05 0.00 -0.57 0.00 0.00 31.44 29.53 2flk n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2flk n LEU 6 N 0.72 2.58 -4.61 -4.62 7.94 -0.52 -4.79 117.00 113.70 2flk n LEU 6 Ca 0.16 1.08 -0.42 0.00 -1.11 0.00 0.00 56.01 55.72 2flk n LEU 6 Cb 0.39 -1.31 -0.04 0.00 0.53 0.00 0.00 43.42 42.98 2flk n LEU 6 CO 0.12 -0.53 0.65 -0.75 -1.11 0.00 0.00 177.39 175.77 2flk s LYS 7 N 1.41 3.93 0.09 1.96 2.20 -1.26 -4.50 119.74 123.57 2flk s LYS 7 Ca 0.84 0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 57.03 2flk s LYS 7 Cb -0.81 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 31.71 2flk s LYS 7 CO 0.45 -0.76 0.29 -0.06 -0.36 0.00 0.00 175.35 174.91 2flk s PHE 8 N 3.12 3.51 -0.19 4.03 0.40 0.03 -0.50 117.98 128.38 2flk s PHE 8 Ca 0.34 0.43 0.01 0.00 -0.60 0.00 0.00 56.93 57.12 2flk s PHE 8 Cb -0.13 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.52 2flk s PHE 8 CO 0.14 0.52 -0.18 -1.17 0.70 0.00 0.00 175.22 175.24 2flk s LEU 9 N -2.48 2.27 -0.28 -0.37 2.96 -0.15 -0.72 118.68 119.90 2flk s LEU 9 Ca 0.37 -0.75 -0.10 0.00 -0.22 0.00 0.00 54.13 53.43 2flk s LEU 9 Cb -0.13 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2flk s LEU 9 CO 0.25 -0.04 0.15 -0.69 -1.32 0.00 0.00 176.35 174.70 2flk s VAL 10 N 1.29 4.90 -0.18 1.68 1.01 -0.16 -1.13 120.40 127.81 2flk s VAL 10 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2flk s VAL 10 Cb -0.14 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2flk s VAL 10 CO -0.11 0.22 -0.13 -0.69 0.00 0.00 0.00 175.10 174.39 2flk s VAL 11 N 1.69 2.76 -0.25 2.92 1.01 0.65 -1.56 120.40 127.62 2flk s VAL 11 Ca 0.06 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 2flk s VAL 11 Cb -0.16 -2.20 0.13 0.00 0.00 0.00 0.00 36.38 34.14 2flk s VAL 11 CO 0.08 0.49 1.03 -0.62 0.00 0.00 0.00 175.10 176.08 2flk s ASP 12 N 1.15 -0.42 0.00 3.32 -1.08 -0.98 -0.97 116.67 117.69 2flk s ASP 12 Ca 0.01 0.71 0.29 0.00 -0.52 0.00 0.00 52.55 53.04 2flk s ASP 12 Cb -0.14 0.69 1.19 0.00 -1.46 0.00 0.00 42.92 43.20 2flk s ASP 12 CO -0.05 -0.20 1.88 -0.90 0.52 0.00 0.00 175.17 176.42 2flk n ASP 13 N 1.76 0.12 -4.46 -0.34 5.75 -1.14 -4.26 116.55 113.97 2flk n ASP 13 Ca -0.12 0.16 -0.43 0.00 -0.01 0.00 0.00 54.79 54.39 2flk n ASP 13 Cb 0.56 -0.31 -0.09 0.00 -1.03 0.00 0.00 41.12 40.26 2flk n ASP 13 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2flk s PHE 14 N -2.86 3.18 0.27 2.11 5.36 -1.26 -4.97 117.98 119.80 2flk s PHE 14 Ca 0.18 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 55.65 2flk s PHE 14 Cb 0.19 -2.93 0.47 0.00 -0.34 0.00 0.00 43.02 40.41 2flk s PHE 14 CO 0.53 -0.72 1.84 0.66 -1.46 0.00 0.00 175.22 176.07 2flk h SER 15 N 8.74 0.88 -0.74 6.13 4.64 -1.99 -2.30 113.55 128.90 2flk h SER 15 Ca -0.27 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2flk h SER 15 Cb 1.11 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 2flk h SER 15 CO 0.81 0.50 0.46 0.74 -0.87 0.00 0.00 176.83 178.47 2flk h THR 16 N 0.98 1.20 -0.62 2.95 2.02 -1.97 -1.27 112.91 116.20 2flk h THR 16 Ca 0.45 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 2flk h THR 16 Cb 0.38 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 2flk h THR 16 CO -0.24 0.21 0.09 -0.03 0.37 0.00 0.00 175.52 175.92 2flk h MET 17 N 1.01 1.02 -0.68 6.66 -1.53 -1.85 -0.50 114.93 119.06 2flk h MET 17 Ca 0.27 -0.27 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2flk h MET 17 Cb -0.06 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 30.83 2flk h MET 17 CO -0.05 0.94 0.43 0.00 0.14 0.00 0.00 176.91 178.37 2flk h ARG 18 N 0.96 0.90 -0.61 0.39 3.08 -0.95 0.16 114.38 118.31 2flk h ARG 18 Ca 0.19 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2flk h ARG 18 Cb 0.43 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2flk h ARG 18 CO 0.01 0.62 0.26 -0.09 -1.07 0.00 0.00 179.97 179.69 2flk h ARG 19 N 0.92 0.91 -0.38 0.04 2.43 -0.82 -0.49 114.38 116.99 2flk h ARG 19 Ca 0.25 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2flk h ARG 19 Cb -0.07 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2flk h ARG 19 CO -0.05 0.77 0.16 0.82 -1.51 0.00 0.00 179.97 180.15 2flk h ILE 20 N 0.85 1.19 -0.69 1.20 2.04 -0.54 0.94 117.51 122.51 2flk h ILE 20 Ca 0.21 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 2flk h ILE 20 Cb 0.19 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2flk h ILE 20 CO -0.02 0.21 0.25 0.58 0.00 0.00 0.00 178.15 179.17 2flk h VAL 21 N 0.47 1.25 -0.74 1.67 2.07 -0.77 0.59 116.25 120.79 2flk h VAL 21 Ca 0.13 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2flk h VAL 21 Cb 0.17 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2flk h VAL 21 CO -0.01 0.32 0.47 -0.09 0.02 0.00 0.00 177.57 178.27 2flk h ARG 22 N 0.98 0.99 -0.32 1.57 2.43 -0.82 0.05 114.38 119.26 2flk h ARG 22 Ca 0.23 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2flk h ARG 22 Cb 0.24 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2flk h ARG 22 CO -0.01 0.67 -0.23 -0.91 -1.51 0.00 0.00 179.97 177.98 2flk h ASN 23 N 1.00 0.62 -0.51 -3.80 2.35 -0.28 -0.34 115.58 114.63 2flk h ASN 23 Ca 0.27 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 2flk h ASN 23 Cb -0.08 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2flk h ASN 23 CO -0.05 0.85 0.03 -0.07 -1.65 0.00 0.00 177.43 176.53 2flk h LEU 24 N 0.54 0.86 -0.26 1.61 3.38 -0.37 -1.00 115.31 120.07 2flk h LEU 24 Ca 0.08 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2flk h LEU 24 Cb 0.69 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2flk h LEU 24 CO 0.05 0.94 0.17 -0.07 0.09 0.00 0.00 178.44 179.62 2flk h LEU 25 N 0.75 0.30 -1.02 1.67 3.38 -0.73 -2.04 115.31 117.62 2flk h LEU 25 Ca 0.15 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2flk h LEU 25 Cb 0.48 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 2flk h LEU 25 CO 0.02 0.21 0.64 0.50 0.09 0.00 0.00 178.44 179.90 2flk h LYS 26 N 0.35 1.05 0.00 1.13 3.64 -0.86 0.20 116.57 122.08 2flk h LYS 26 Ca 0.10 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2flk h LYS 26 Cb -0.04 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 2flk h LYS 26 CO -0.02 0.70 -0.07 1.49 -2.27 0.00 0.00 179.45 179.27 2flk h GLU 27 N 1.08 0.00 -0.03 1.90 4.81 -0.49 -0.02 114.58 121.83 2flk h GLU 27 Ca 0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2flk h GLU 27 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2flk h GLU 27 CO -0.22 0.07 0.00 1.28 -0.73 0.00 0.00 179.01 179.41 2flk n LEU 28 N -4.07 1.88 0.00 1.64 4.77 0.60 -4.93 117.00 116.89 2flk n LEU 28 Ca -0.03 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2flk n LEU 28 Cb 0.16 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2flk n LEU 28 CO 0.32 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2flk n GLY 29 N 1.22 0.72 3.37 -0.72 0.00 -0.02 -5.04 105.19 104.71 2flk n GLY 29 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 2flk n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2flk s PHE 30 N -2.19 3.08 -0.14 1.61 0.08 -0.56 -4.84 117.98 115.02 2flk s PHE 30 Ca 0.00 -1.08 0.22 0.00 0.12 0.00 0.00 56.93 56.18 2flk s PHE 30 Cb 0.00 -3.99 -0.16 0.00 -0.57 0.00 0.00 43.02 38.30 2flk s PHE 30 CO 0.00 -1.25 0.77 0.09 -0.10 0.00 0.00 175.22 174.73 2flk n ASN 31 N 6.07 0.48 -4.54 1.36 3.02 -1.26 -2.98 115.26 117.41 2flk n ASN 31 Ca -0.07 0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 2flk n ASN 31 Cb 0.43 1.08 -0.00 0.00 -0.61 0.00 0.00 39.78 40.67 2flk n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2flk s ASN 32 N -5.05 6.87 -0.04 6.41 2.47 -1.26 -4.95 114.94 119.39 2flk s ASN 32 Ca -0.04 -2.51 0.03 0.00 0.42 0.00 0.00 52.86 50.75 2flk s ASN 32 Cb 0.11 -2.51 0.01 0.00 -1.45 0.00 0.00 41.25 37.40 2flk s ASN 32 CO 0.84 -1.06 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.35 2flk s VAL 33 N 3.39 1.03 0.34 -5.21 1.01 -1.26 -0.79 120.40 118.91 2flk s VAL 33 Ca 0.49 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.08 2flk s VAL 33 Cb 0.01 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.40 2flk s VAL 33 CO 0.03 0.32 -0.05 -1.61 0.00 0.00 0.00 175.10 173.79 2flk s GLU 34 N 0.37 1.77 0.16 2.72 2.02 0.11 -4.97 118.70 120.87 2flk s GLU 34 Ca -0.08 -1.94 0.09 0.00 0.02 0.00 0.00 54.97 53.06 2flk s GLU 34 Cb -0.12 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.60 2flk s GLU 34 CO 0.02 0.04 -0.19 -1.21 0.02 0.00 0.00 175.26 173.94 2flk s GLU 35 N -3.69 1.27 0.02 1.61 2.02 -1.26 -0.99 118.70 117.67 2flk s GLU 35 Ca 0.33 -1.37 -0.01 0.00 0.02 0.00 0.00 54.97 53.94 2flk s GLU 35 Cb 0.05 -1.38 -0.02 0.00 0.10 0.00 0.00 34.13 32.88 2flk s GLU 35 CO 0.16 0.29 -0.01 0.00 0.02 0.00 0.00 175.26 175.71 2flk s ALA 36 N -1.86 0.07 -1.20 5.21 0.00 -0.60 -4.91 121.76 118.46 2flk s ALA 36 Ca 0.14 -0.47 0.23 0.00 0.00 0.00 0.00 51.96 51.86 2flk s ALA 36 Cb -0.07 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.25 2flk s ALA 36 CO 0.06 -0.14 1.12 -0.85 0.00 0.00 0.00 175.76 175.95 2flk n GLU 37 N 1.81 0.23 -3.87 0.00 0.28 -1.26 -2.32 120.64 115.51 2flk n GLU 37 Ca -0.22 -0.18 -0.01 0.00 -0.16 0.00 0.00 57.16 56.59 2flk n GLU 37 Cb 0.56 -1.50 0.01 0.00 1.43 0.00 0.00 31.44 31.94 2flk n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2flk s ASP 38 N -2.89 -0.02 0.25 -1.84 1.47 -1.26 -2.91 116.67 109.47 2flk s ASP 38 Ca 0.12 -0.48 -0.04 0.00 1.18 0.00 0.00 52.55 53.33 2flk s ASP 38 Cb 0.17 0.38 0.38 0.00 -0.34 0.00 0.00 42.92 43.50 2flk s ASP 38 CO 0.76 -0.74 1.85 1.23 0.68 0.00 0.00 175.17 178.95 2flk h GLY 39 N 2.00 1.37 0.72 2.12 0.00 -1.59 0.18 103.07 107.87 2flk h GLY 39 Ca -0.26 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 2flk h GLY 39 CO 0.33 0.25 -0.05 -2.08 0.00 0.00 0.00 176.54 174.98 2flk h VAL 40 N 0.98 1.04 -0.92 4.60 2.07 -1.88 0.08 116.25 122.22 2flk h VAL 40 Ca 0.40 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2flk h VAL 40 Cb 0.23 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2flk h VAL 40 CO -0.19 0.15 0.60 -0.78 0.02 0.00 0.00 177.57 177.36 2flk h ASP 41 N -0.44 0.94 -0.13 0.57 3.58 -1.89 0.18 116.42 119.24 2flk h ASP 41 Ca -0.02 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2flk h ASP 41 Cb 0.36 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2flk h ASP 41 CO 0.03 0.61 0.05 0.00 -2.88 0.00 0.00 179.24 177.04 2flk h ALA 42 N 1.49 0.17 -0.56 -0.78 0.00 -0.41 -1.73 119.26 117.44 2flk h ALA 42 Ca 0.39 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2flk h ALA 42 Cb 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2flk h ALA 42 CO -0.14 -0.23 0.14 -0.07 0.00 0.00 0.00 179.25 178.95 2flk h LEU 43 N 0.04 0.81 -0.54 0.00 3.38 -0.38 -0.47 115.31 118.15 2flk h LEU 43 Ca 0.04 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2flk h LEU 43 Cb 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2flk h LEU 43 CO -0.00 0.79 0.33 -1.13 0.09 0.00 0.00 178.44 178.52 2flk h ASN 44 N 0.83 0.55 0.95 -0.43 -0.73 -0.66 -1.80 115.58 114.29 2flk h ASN 44 Ca 0.18 -0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.26 2flk h ASN 44 Cb 0.30 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 2flk h ASN 44 CO -0.00 0.39 -0.41 0.11 -0.37 0.00 0.00 177.43 177.16 2flk h LYS 45 N 0.67 0.00 -0.04 6.67 1.57 -0.91 -3.00 116.57 121.53 2flk h LYS 45 Ca 0.21 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 2flk h LYS 45 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2flk h LYS 45 CO -0.08 0.41 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.65 2flk h LEU 46 N 0.00 0.11 -2.82 2.94 3.38 -0.47 -2.54 115.31 115.91 2flk h LEU 46 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2flk h LEU 46 Cb 0.99 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2flk h LEU 46 CO 0.05 0.58 0.04 -0.61 0.09 0.00 0.00 178.44 178.59 2flk h GLN 47 N 0.08 0.00 0.00 1.13 4.15 -1.19 0.28 115.11 119.56 2flk h GLN 47 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2flk h GLN 47 Cb 0.89 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 2flk h GLN 47 CO 0.07 0.00 -0.04 0.00 -1.93 0.00 0.00 178.83 176.93 2flk h ALA 48 N 1.93 1.00 0.00 3.38 0.00 -1.58 -3.49 119.26 120.50 2flk h ALA 48 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2flk h ALA 48 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2flk h ALA 48 CO -0.00 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2flk n GLY 49 N 0.15 -1.36 1.96 0.00 0.00 0.08 -4.99 105.19 101.02 2flk n GLY 49 Ca 0.01 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2flk n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2flk n GLY 50 N -1.66 2.99 3.77 -0.02 0.00 -1.26 -5.00 105.19 104.00 2flk n GLY 50 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2flk n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2flk s PHE 51 N -2.06 3.03 0.00 1.61 0.08 -1.26 -4.53 117.98 114.84 2flk s PHE 51 Ca 0.00 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.39 2flk s PHE 51 Cb 0.00 -3.72 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 2flk s PHE 51 CO 0.00 -2.04 0.18 0.41 -0.10 0.00 0.00 175.22 173.68 2flk n GLY 52 N 1.04 0.09 3.63 4.36 0.00 0.35 -4.94 105.19 109.72 2flk n GLY 52 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2flk n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2flk s PHE 53 N -0.57 -0.81 -0.08 1.61 2.19 -0.99 -4.33 117.98 115.01 2flk s PHE 53 Ca 0.00 1.90 0.05 0.00 0.33 0.00 0.00 56.93 59.21 2flk s PHE 53 Cb 0.00 0.33 -0.00 0.00 -1.31 0.00 0.00 43.02 42.03 2flk s PHE 53 CO 0.00 -0.39 -0.24 0.42 1.83 0.00 0.00 175.22 176.84 2flk s ILE 54 N 0.55 2.01 -0.21 3.12 -1.09 -0.48 -0.98 121.20 124.11 2flk s ILE 54 Ca -0.01 -1.01 0.02 0.00 -2.23 0.00 0.00 60.65 57.42 2flk s ILE 54 Cb -0.05 -1.73 0.04 0.00 -1.58 0.00 0.00 42.46 39.14 2flk s ILE 54 CO -0.02 0.55 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.45 2flk s ILE 55 N 0.18 2.12 -0.01 2.92 1.01 -0.28 -0.48 121.20 126.65 2flk s ILE 55 Ca -0.13 -1.23 0.05 0.00 0.00 0.00 0.00 60.65 59.33 2flk s ILE 55 Cb -0.16 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 2flk s ILE 55 CO 0.07 0.30 -0.16 -0.55 0.00 0.00 0.00 174.94 174.60 2flk s SER 56 N 1.21 1.85 0.72 3.58 0.15 -0.46 -0.25 113.70 120.50 2flk s SER 56 Ca -0.01 -0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.25 2flk s SER 56 Cb -0.16 -0.21 0.02 0.00 -1.71 0.00 0.00 66.02 63.96 2flk s SER 56 CO -0.10 0.19 1.07 -0.62 1.20 0.00 0.00 173.24 174.99 2flk s ASP 57 N -0.36 5.08 -0.04 5.45 2.15 -0.15 -0.45 116.67 128.34 2flk s ASP 57 Ca 0.06 1.70 -0.22 0.00 0.43 0.00 0.00 52.55 54.52 2flk s ASP 57 Cb -0.06 -2.51 -0.28 0.00 -0.30 0.00 0.00 42.92 39.77 2flk s ASP 57 CO -0.01 -1.65 0.95 -0.25 -0.17 0.00 0.00 175.17 174.05 2flk h TRP 58 N -0.82 0.47 -3.57 -5.34 2.91 -1.27 -3.15 115.95 105.17 2flk h TRP 58 Ca -0.44 -0.31 -0.67 0.00 1.13 0.00 0.00 58.89 58.60 2flk h TRP 58 Cb 1.22 -0.03 -0.27 0.00 -0.51 0.00 0.00 29.16 29.56 2flk h TRP 58 CO 0.60 1.19 -0.66 1.21 -1.03 0.00 0.00 178.44 179.76 2flk s ASN 59 N -6.76 4.89 0.01 2.65 2.47 -1.26 -1.13 114.94 115.81 2flk s ASN 59 Ca -0.14 -0.69 -0.14 0.00 0.42 0.00 0.00 52.86 52.31 2flk s ASN 59 Cb 0.01 -1.82 0.02 0.00 -1.45 0.00 0.00 41.25 38.01 2flk s ASN 59 CO 0.80 -0.15 0.30 -0.04 -3.72 0.00 0.00 177.10 174.29 2flk s MET 60 N 1.47 0.71 0.72 0.43 -1.94 -1.26 -4.74 119.30 114.69 2flk s MET 60 Ca 0.03 -0.31 -0.11 0.00 -1.71 0.00 0.00 55.69 53.58 2flk s MET 60 Cb -0.17 0.31 0.02 0.00 2.01 0.00 0.00 34.83 37.01 2flk s MET 60 CO 0.01 -0.21 1.08 -1.25 -0.01 0.00 0.00 175.02 174.64 2flk s PRO 61 N -1.77 2.76 0.00 2.03 0.04 -1.26 -3.53 135.00 133.26 2flk s PRO 61 Ca -0.10 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2flk s PRO 61 Cb -0.04 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2flk s PRO 61 CO 0.01 -1.15 0.00 0.09 0.04 0.00 0.00 177.00 176.00 2flk n ASN 62 N -3.11 0.00 -3.56 6.66 3.02 -1.26 -4.49 115.26 112.52 2flk n ASN 62 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.52 2flk n ASN 62 Cb 0.56 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.63 2flk n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2flk s MET 63 N 0.00 0.29 0.44 3.52 1.75 -1.26 -4.91 119.30 119.12 2flk s MET 63 Ca 0.00 0.79 -0.06 0.00 -1.25 0.00 0.00 55.69 55.17 2flk s MET 63 Cb 0.00 -0.06 0.10 0.00 2.84 0.00 0.00 34.83 37.71 2flk s MET 63 CO 0.00 -0.39 0.60 -0.40 -0.65 0.00 0.00 175.02 174.17 2flk n ASP 64 N 5.37 0.18 -0.12 1.11 5.68 -1.23 -1.83 116.55 125.71 2flk n ASP 64 Ca -0.06 -1.30 -0.10 0.00 -0.50 0.00 0.00 54.79 52.83 2flk n ASP 64 Cb 0.50 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 40.02 2flk n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2flk h GLY 65 N -0.71 0.61 1.00 6.12 0.00 -1.08 -1.13 103.07 107.87 2flk h GLY 65 Ca -0.19 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 2flk h GLY 65 CO 0.15 0.34 0.27 -2.00 0.00 0.00 0.00 176.54 175.29 2flk h LEU 66 N 0.44 0.87 -0.83 3.11 5.85 -1.84 -0.00 115.31 122.90 2flk h LEU 66 Ca 0.12 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 2flk h LEU 66 Cb 0.25 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2flk h LEU 66 CO -0.00 0.79 0.15 -0.33 -0.34 0.00 0.00 178.44 178.71 2flk h GLU 67 N 0.89 1.02 -0.22 1.25 5.08 -1.91 -1.06 114.58 119.63 2flk h GLU 67 Ca 0.21 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2flk h GLU 67 Cb 0.19 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2flk h GLU 67 CO -0.02 0.91 0.06 1.25 -1.00 0.00 0.00 179.01 180.21 2flk h LEU 68 N 0.97 0.32 -0.29 1.33 5.85 -0.92 -2.07 115.31 120.50 2flk h LEU 68 Ca 0.20 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2flk h LEU 68 Cb 0.35 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2flk h LEU 68 CO 0.00 0.46 0.08 0.25 -0.34 0.00 0.00 178.44 178.89 2flk h LEU 69 N 0.18 0.07 -0.64 2.25 5.85 -0.72 -1.34 115.31 120.95 2flk h LEU 69 Ca 0.07 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2flk h LEU 69 Cb 0.25 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2flk h LEU 69 CO -0.00 0.07 0.40 0.11 -0.34 0.00 0.00 178.44 178.68 2flk h LYS 70 N 0.20 0.86 -0.61 1.25 1.57 -1.11 -1.42 116.57 117.32 2flk h LYS 70 Ca 0.13 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2flk h LYS 70 Cb 0.12 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2flk h LYS 70 CO -0.16 0.60 0.37 1.15 -0.57 0.00 0.00 179.45 180.84 2flk h THR 71 N 0.87 1.05 -0.21 -0.16 2.02 -0.92 -0.24 112.91 115.32 2flk h THR 71 Ca 0.23 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2flk h THR 71 Cb -0.05 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2flk h THR 71 CO -0.05 0.13 0.11 0.40 0.37 0.00 0.00 175.52 176.49 2flk h ILE 72 N 0.72 1.12 0.00 3.11 2.04 -0.95 -2.95 117.51 120.59 2flk h ILE 72 Ca 0.25 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2flk h ILE 72 Cb 0.05 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2flk h ILE 72 CO -0.11 0.12 -0.17 0.03 0.00 0.00 0.00 178.15 178.02 2flk h ARG 73 N 0.23 0.00 -0.10 2.37 2.47 -0.69 -2.58 114.38 116.07 2flk h ARG 73 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2flk h ARG 73 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2flk h ARG 73 CO -0.01 0.17 0.00 0.00 0.56 0.00 0.00 179.97 180.69 2flk n ALA 74 N -2.24 2.52 -2.66 0.04 0.00 -0.15 -4.64 120.51 113.37 2flk n ALA 74 Ca -0.01 -0.58 -0.37 0.00 0.00 0.00 0.00 53.44 52.48 2flk n ALA 74 Cb 0.33 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 2flk n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2flk s ASP 75 N -1.83 6.22 0.34 0.00 2.15 -0.99 -5.00 116.67 117.56 2flk s ASP 75 Ca 0.35 0.25 0.09 0.00 0.43 0.00 0.00 52.55 53.66 2flk s ASP 75 Cb 0.20 -2.15 0.82 0.00 -0.30 0.00 0.00 42.92 41.49 2flk s ASP 75 CO 0.31 0.02 1.82 0.77 -0.17 0.00 0.00 175.17 177.91 2flk h SER 76 N 7.47 0.68 0.76 -0.34 4.64 -1.89 0.17 113.55 125.04 2flk h SER 76 Ca -0.37 0.07 -0.24 0.00 -0.47 0.00 0.00 61.79 60.77 2flk h SER 76 Cb 1.17 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 2flk h SER 76 CO 0.68 0.28 -1.35 0.00 -0.87 0.00 0.00 176.83 175.57 2flk h ALA 77 N 1.61 0.60 -0.02 5.18 0.00 -1.94 -3.37 119.26 121.32 2flk h ALA 77 Ca 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2flk h ALA 77 Cb 0.89 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2flk h ALA 77 CO -0.28 1.35 -0.23 -1.33 0.00 0.00 0.00 179.25 178.76 2flk n MET 78 N -3.16 1.57 -0.25 0.00 2.81 -0.93 -4.71 117.12 112.46 2flk n MET 78 Ca -0.09 -1.10 0.32 0.00 -1.81 0.00 0.00 57.70 55.02 2flk n MET 78 Cb 0.97 -1.32 0.74 0.00 -0.71 0.00 0.00 33.22 32.90 2flk n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2flk h SER 79 N 2.47 0.00 0.02 7.83 4.64 -0.47 -1.23 113.55 126.82 2flk h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2flk h SER 79 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2flk h SER 79 CO 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 175.58 2flk n ALA 80 N -2.72 3.35 -1.64 5.18 0.00 -1.26 -4.58 120.51 118.83 2flk n ALA 80 Ca 0.22 -0.61 -0.48 0.00 0.00 0.00 0.00 53.44 52.57 2flk n ALA 80 Cb 1.13 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 2flk n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2flk n LEU 81 N 0.03 2.62 -4.76 0.00 4.77 -0.47 -4.91 117.00 114.28 2flk n LEU 81 Ca 0.10 1.09 -0.41 0.00 -0.03 0.00 0.00 56.01 56.76 2flk n LEU 81 Cb 0.46 -1.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.19 2flk n LEU 81 CO 0.26 -0.53 1.20 -2.84 -1.33 0.00 0.00 177.39 174.15 2flk s PRO 82 N 0.85 4.14 -0.11 3.23 0.02 -1.26 -4.93 135.00 136.94 2flk s PRO 82 Ca 0.81 2.54 -0.02 0.00 0.02 0.00 0.00 61.00 64.35 2flk s PRO 82 Cb -0.77 -3.02 0.04 0.00 0.02 0.00 0.00 34.50 30.77 2flk s PRO 82 CO 0.41 -0.57 0.01 0.08 -0.33 0.00 0.00 177.00 176.60 2flk s VAL 83 N -0.34 0.43 -0.30 3.83 1.01 -1.26 -1.39 120.40 122.39 2flk s VAL 83 Ca 0.60 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 2flk s VAL 83 Cb -0.47 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2flk s VAL 83 CO 0.52 0.11 0.19 -0.22 0.00 0.00 0.00 175.10 175.70 2flk s LEU 84 N 1.94 4.13 0.05 3.92 2.96 0.37 -0.40 118.68 131.64 2flk s LEU 84 Ca 0.03 -0.16 -0.19 0.00 -0.22 0.00 0.00 54.13 53.58 2flk s LEU 84 Cb -0.14 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.38 2flk s LEU 84 CO -0.06 -0.11 0.57 -0.04 -1.32 0.00 0.00 176.35 175.39 2flk s MET 85 N 1.73 4.22 -0.09 1.98 -1.94 -0.15 -1.35 119.30 123.70 2flk s MET 85 Ca 0.07 0.72 0.03 0.00 -1.71 0.00 0.00 55.69 54.80 2flk s MET 85 Cb -0.16 -3.27 -0.01 0.00 2.01 0.00 0.00 34.83 33.40 2flk s MET 85 CO 0.10 0.57 -0.21 0.08 -0.01 0.00 0.00 175.02 175.55 2flk s VAL 86 N -0.86 2.39 0.06 -6.03 1.01 0.40 -0.33 120.40 117.04 2flk s VAL 86 Ca 0.29 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2flk s VAL 86 Cb -0.19 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2flk s VAL 86 CO 0.18 0.56 -0.07 0.28 0.00 0.00 0.00 175.10 176.05 2flk s THR 87 N 0.14 0.56 -0.21 3.92 -1.32 -0.46 -0.70 115.64 117.56 2flk s THR 87 Ca -0.11 -1.47 0.23 0.00 -1.21 0.00 0.00 61.69 59.13 2flk s THR 87 Cb -0.16 -1.09 0.26 0.00 -1.51 0.00 0.00 72.50 70.00 2flk s THR 87 CO 0.06 -0.63 1.65 0.00 -2.21 0.00 0.00 174.62 173.49 2flk h ALA 88 N 3.78 0.92 -2.42 11.08 0.00 -1.88 0.82 119.26 131.56 2flk h ALA 88 Ca -0.35 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2flk h ALA 88 Cb 1.18 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.70 2flk h ALA 88 CO 0.52 0.20 -0.25 -2.00 0.00 0.00 0.00 179.25 177.73 2flk s GLU 89 N -3.27 0.45 -0.06 0.00 2.12 -1.26 -4.73 118.70 111.94 2flk s GLU 89 Ca 0.04 1.02 -0.30 0.00 0.36 0.00 0.00 54.97 56.10 2flk s GLU 89 Cb 0.07 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 2flk s GLU 89 CO 0.67 -0.19 1.33 0.00 -0.54 0.00 0.00 175.26 176.52 2flk s ALA 90 N 2.00 3.58 0.00 6.30 0.00 -1.26 -5.01 121.76 127.36 2flk s ALA 90 Ca -0.07 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.63 2flk s ALA 90 Cb -0.09 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 2flk s ALA 90 CO -0.15 -0.97 -0.09 0.15 0.00 0.00 0.00 175.76 174.70 2flk s LYS 91 N 2.73 0.72 0.14 0.00 1.02 -1.26 -5.06 119.74 118.03 2flk s LYS 91 Ca 0.60 -0.40 -0.26 0.00 0.02 0.00 0.00 55.97 55.94 2flk s LYS 91 Cb -0.27 -0.68 -0.01 0.00 -0.52 0.00 0.00 37.83 36.34 2flk s LYS 91 CO 0.23 0.18 1.60 0.87 -0.92 0.00 0.00 175.35 177.31 2flk h LYS 92 N 5.71 -0.37 -0.78 1.68 1.57 -1.99 0.11 116.57 122.50 2flk h LYS 92 Ca -0.32 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.55 2flk h LYS 92 Cb 1.18 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.52 2flk h LYS 92 CO 0.48 -0.25 0.47 1.49 -0.57 0.00 0.00 179.45 181.08 2flk h GLU 93 N -0.38 0.83 -0.24 3.15 4.81 -1.99 -0.20 114.58 120.56 2flk h GLU 93 Ca 0.11 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 2flk h GLU 93 Cb 0.56 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2flk h GLU 93 CO -0.41 0.55 -0.46 -0.91 -0.73 0.00 0.00 179.01 177.05 2flk h ASN 94 N 0.86 0.68 -0.36 1.04 2.35 -1.75 -0.41 115.58 117.98 2flk h ASN 94 Ca 0.34 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2flk h ASN 94 Cb 0.17 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2flk h ASN 94 CO -0.17 1.04 0.13 0.40 -1.65 0.00 0.00 177.43 177.17 2flk h ILE 95 N 0.50 1.20 -0.54 2.81 2.04 -0.23 -0.04 117.51 123.26 2flk h ILE 95 Ca 0.03 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 2flk h ILE 95 Cb 1.00 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2flk h ILE 95 CO 0.09 0.23 -0.06 0.40 0.00 0.00 0.00 178.15 178.81 2flk h ILE 96 N 0.43 1.26 -0.84 -0.67 1.08 -0.95 -1.40 117.51 116.42 2flk h ILE 96 Ca 0.12 -1.18 -0.03 0.00 -0.39 0.00 0.00 64.86 63.37 2flk h ILE 96 Cb 0.23 0.91 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 2flk h ILE 96 CO -0.01 0.42 0.40 0.00 -0.69 0.00 0.00 178.15 178.27 2flk h ALA 97 N 1.05 1.11 -0.66 1.87 0.00 -0.84 -1.08 119.26 120.71 2flk h ALA 97 Ca 0.15 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2flk h ALA 97 Cb 0.59 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2flk h ALA 97 CO 0.04 0.67 0.09 0.00 0.00 0.00 0.00 179.25 180.04 2flk h ALA 98 N 1.23 0.88 -0.06 0.00 0.00 -0.64 -1.72 119.26 118.93 2flk h ALA 98 Ca 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2flk h ALA 98 Cb 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2flk h ALA 98 CO -0.03 0.66 0.02 0.00 0.00 0.00 0.00 179.25 179.89 2flk h ALA 99 N 1.04 0.08 -0.73 0.00 0.00 -0.96 -0.33 119.26 118.37 2flk h ALA 99 Ca 0.20 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2flk h ALA 99 Cb 0.46 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 2flk h ALA 99 CO 0.02 -0.32 0.48 1.96 0.00 0.00 0.00 179.25 181.39 2flk h GLN 100 N -0.07 0.74 0.00 0.00 4.20 -0.98 -1.99 115.11 117.01 2flk h GLN 100 Ca 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2flk h GLN 100 Cb 0.19 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2flk h GLN 100 CO -0.00 0.49 -0.17 0.00 -0.67 0.00 0.00 178.83 178.48 2flk n ALA 101 N -2.45 2.60 -0.10 3.87 0.00 -0.67 -4.95 120.51 118.81 2flk n ALA 101 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2flk n ALA 101 Cb 0.23 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2flk n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2flk n GLY 102 N 1.42 1.37 3.75 0.00 0.00 -0.75 -4.59 105.19 106.38 2flk n GLY 102 Ca 0.06 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2flk n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flk s ALA 103 N -2.00 3.78 0.17 4.61 0.00 -0.18 -4.85 121.76 123.28 2flk s ALA 103 Ca 0.00 1.59 0.01 0.00 0.00 0.00 0.00 51.96 53.56 2flk s ALA 103 Cb 0.00 -3.66 0.03 0.00 0.00 0.00 0.00 23.12 19.49 2flk s ALA 103 CO 0.00 -0.99 1.40 0.77 0.00 0.00 0.00 175.76 176.94 2flk h SER 104 N 5.09 0.32 -5.22 0.00 0.02 -1.07 -3.46 113.55 109.23 2flk h SER 104 Ca -0.47 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.18 2flk h SER 104 Cb 1.22 -0.10 -0.10 0.00 0.14 0.00 0.00 62.40 63.56 2flk h SER 104 CO 0.82 1.01 -0.15 -0.83 -1.14 0.00 0.00 176.83 176.54 2flk s GLY 105 N -4.45 0.41 -0.15 -3.77 0.00 -0.97 -4.86 107.32 93.53 2flk s GLY 105 Ca -0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 43.88 2flk s GLY 105 CO 0.83 -0.62 0.27 -0.47 0.00 0.00 0.00 173.10 173.10 2flk s TYR 106 N -3.98 -0.44 0.03 1.90 6.14 -1.26 -0.98 117.35 118.76 2flk s TYR 106 Ca 0.19 0.84 0.02 0.00 0.64 0.00 0.00 57.07 58.75 2flk s TYR 106 Cb 0.00 -0.08 -0.02 0.00 0.42 0.00 0.00 41.96 42.28 2flk s TYR 106 CO 0.04 -0.43 -0.06 0.54 0.64 0.00 0.00 175.55 176.28 2flk s VAL 107 N 2.42 0.40 -0.09 3.14 0.11 0.55 -4.97 120.40 121.96 2flk s VAL 107 Ca 0.03 -0.80 -0.18 0.00 -2.93 0.00 0.00 61.98 58.10 2flk s VAL 107 Cb -0.13 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 2flk s VAL 107 CO -0.10 -0.28 0.49 -0.69 -3.33 0.00 0.00 175.10 171.19 2flk s VAL 108 N -1.04 5.13 0.25 2.04 1.01 -1.26 -1.36 120.40 125.17 2flk s VAL 108 Ca -0.08 0.99 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 2flk s VAL 108 Cb -0.08 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 2flk s VAL 108 CO -0.00 0.37 0.52 -1.59 0.00 0.00 0.00 175.10 174.40 2flk s LYS 109 N 0.31 3.68 0.53 2.72 -2.85 0.28 -4.07 119.74 120.34 2flk s LYS 109 Ca 0.27 0.07 -0.15 0.00 -1.00 0.00 0.00 55.97 55.15 2flk s LYS 109 Cb -0.16 -2.68 -0.07 0.00 -2.06 0.00 0.00 37.83 32.86 2flk s LYS 109 CO 0.12 0.29 0.98 -1.25 0.10 0.00 0.00 175.35 175.59 2flk s PRO 110 N -3.19 3.86 0.08 1.78 0.04 -1.26 -4.68 135.00 131.63 2flk s PRO 110 Ca 0.44 0.88 0.01 0.00 0.04 0.00 0.00 61.00 62.38 2flk s PRO 110 Cb -0.11 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2flk s PRO 110 CO 0.26 -0.32 -0.06 -0.59 0.04 0.00 0.00 177.00 176.33 2flk s PHE 111 N -2.74 0.77 0.71 0.56 -0.12 -1.26 -5.16 117.98 110.75 2flk s PHE 111 Ca 0.58 -0.82 -0.06 0.00 -0.05 0.00 0.00 56.93 56.58 2flk s PHE 111 Cb -0.10 -0.46 0.08 0.00 -0.63 0.00 0.00 43.02 41.90 2flk s PHE 111 CO 0.36 -0.16 1.02 0.95 -0.05 0.00 0.00 175.22 177.34 2flk s THR 112 N -3.04 2.27 0.20 -4.49 -4.23 -1.26 -4.92 115.64 100.17 2flk s THR 112 Ca 0.05 -0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 60.13 2flk s THR 112 Cb 0.01 -2.96 0.12 0.00 1.34 0.00 0.00 72.50 71.02 2flk s THR 112 CO -0.04 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.89 2flk h ALA 113 N -0.62 0.85 -0.65 3.99 0.00 -1.99 -1.38 119.26 119.46 2flk h ALA 113 Ca -0.43 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2flk h ALA 113 Cb 1.30 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2flk h ALA 113 CO 0.56 0.23 0.40 0.00 0.00 0.00 0.00 179.25 180.44 2flk h ALA 114 N 1.26 0.86 -0.19 0.00 0.00 -1.97 0.17 119.26 119.39 2flk h ALA 114 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2flk h ALA 114 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2flk h ALA 114 CO -0.07 0.14 0.06 1.15 0.00 0.00 0.00 179.25 180.53 2flk h THR 115 N 0.77 1.18 -0.22 0.00 2.02 -1.84 -1.18 112.91 113.65 2flk h THR 115 Ca 0.27 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 66.94 2flk h THR 115 Cb 0.05 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2flk h THR 115 CO -0.12 0.17 -0.06 0.25 0.37 0.00 0.00 175.52 176.14 2flk h LEU 116 N 0.14 -0.21 -0.80 2.58 5.85 -0.75 -0.03 115.31 122.10 2flk h LEU 116 Ca 0.06 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.94 2flk h LEU 116 Cb 0.21 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 2flk h LEU 116 CO -0.00 -0.07 0.44 -0.08 -0.34 0.00 0.00 178.44 178.39 2flk h GLU 117 N -0.00 0.72 -0.46 1.25 4.81 -0.51 0.28 114.58 120.67 2flk h GLU 117 Ca 0.10 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2flk h GLU 117 Cb 0.16 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2flk h GLU 117 CO -0.22 0.48 0.23 1.49 -0.73 0.00 0.00 179.01 180.25 2flk h GLU 118 N 0.74 0.66 -0.42 1.92 4.81 -0.41 -0.38 114.58 121.50 2flk h GLU 118 Ca 0.39 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 2flk h GLU 118 Cb 0.37 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2flk h GLU 118 CO -0.25 0.55 -0.10 0.87 -0.73 0.00 0.00 179.01 179.34 2flk h LYS 119 N 0.60 0.81 -0.43 1.92 1.79 -0.10 -1.68 116.57 119.48 2flk h LYS 119 Ca 0.16 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.30 2flk h LYS 119 Cb 0.10 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2flk h LYS 119 CO -0.02 0.93 0.21 -0.07 -1.08 0.00 0.00 179.45 179.42 2flk h LEU 120 N 0.64 0.56 -1.20 2.94 3.38 -0.82 -2.60 115.31 118.20 2flk h LEU 120 Ca 0.11 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2flk h LEU 120 Cb 0.63 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2flk h LEU 120 CO 0.04 0.53 -0.10 0.78 0.09 0.00 0.00 178.44 179.78 2flk h ASN 121 N 0.55 0.41 -0.77 -0.43 2.35 -0.94 0.82 115.58 117.58 2flk h ASN 121 Ca 0.15 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2flk h ASN 121 Cb 0.11 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2flk h ASN 121 CO -0.02 0.55 0.33 0.11 -1.65 0.00 0.00 177.43 176.75 2flk h LYS 122 N 0.41 1.13 -0.17 0.81 1.57 -1.05 -1.48 116.57 117.80 2flk h LYS 122 Ca 0.08 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 2flk h LYS 122 Cb 0.42 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2flk h LYS 122 CO 0.02 0.91 -0.23 0.82 -0.57 0.00 0.00 179.45 180.40 2flk h ILE 123 N 1.10 1.35 -0.46 1.86 2.04 -0.99 -2.07 117.51 120.34 2flk h ILE 123 Ca 0.26 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.72 2flk h ILE 123 Cb 0.18 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2flk h ILE 123 CO -0.02 0.43 0.22 -0.26 0.00 0.00 0.00 178.15 178.51 2flk h PHE 124 N 0.09 0.40 -0.21 1.37 0.04 -0.77 -0.63 116.94 117.23 2flk h PHE 124 Ca 0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2flk h PHE 124 Cb 0.80 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2flk h PHE 124 CO 0.09 0.19 0.12 0.93 -0.60 0.00 0.00 178.31 179.04 2flk h GLU 125 N 0.43 0.29 -0.82 1.51 5.08 -1.26 0.29 114.58 120.09 2flk h GLU 125 Ca 0.20 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 2flk h GLU 125 Cb 0.13 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2flk h GLU 125 CO -0.15 0.25 0.49 -0.22 -1.00 0.00 0.00 179.01 178.38 2flk h LYS 126 N 0.24 0.86 -0.14 2.33 3.11 -0.98 -2.23 116.57 119.77 2flk h LYS 126 Ca 0.07 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2flk h LYS 126 Cb 0.04 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.08 2flk h LYS 126 CO -0.01 0.57 0.00 1.28 -2.81 0.00 0.00 179.45 178.48 2flk n LEU 127 N -4.67 1.72 -2.30 5.20 4.77 -0.28 -4.93 117.00 116.51 2flk n LEU 127 Ca 0.12 -0.69 -0.19 0.00 -0.03 0.00 0.00 56.01 55.22 2flk n LEU 127 Cb 0.20 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2flk n LEU 127 CO 0.30 0.34 -0.16 0.61 -1.33 0.00 0.00 177.39 177.15 2flk n GLY 128 N 1.16 -0.39 0.58 -0.72 0.00 0.11 -5.04 105.19 100.88 2flk n GLY 128 Ca 0.17 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.26 2flk n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35