#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fka s ASP 3 N 0.00 6.61 0.63 0.00 -1.08 -1.26 -4.90 116.67 116.67 2fka s ASP 3 Ca 0.00 2.61 0.35 0.00 -0.52 0.00 0.00 52.55 54.99 2fka s ASP 3 Cb 0.00 -2.60 1.94 0.00 -1.46 0.00 0.00 42.92 40.80 2fka s ASP 3 CO 0.00 -0.79 2.18 0.50 0.52 0.00 0.00 175.17 177.57 2fka h LYS 4 N 6.45 0.00 -0.53 4.34 3.64 -2.01 -0.27 116.57 128.19 2fka h LYS 4 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2fka h LYS 4 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2fka h LYS 4 CO 0.88 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 178.45 2fka n GLU 5 N -3.39 2.34 -1.62 1.90 -0.58 -1.26 -4.22 120.64 113.81 2fka n GLU 5 Ca -0.01 -2.07 -0.51 0.00 -0.42 0.00 0.00 57.16 54.15 2fka n GLU 5 Cb 0.22 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 2fka n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2fka n LEU 6 N 1.20 2.11 -4.59 -4.62 7.94 -0.11 -4.80 117.00 114.14 2fka n LEU 6 Ca 0.19 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.78 2fka n LEU 6 Cb 0.50 -1.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.13 2fka n LEU 6 CO 0.14 -0.79 0.42 -0.75 -1.11 0.00 0.00 177.39 175.30 2fka s LYS 7 N 0.83 3.80 0.15 1.96 2.20 -1.26 -4.49 119.74 122.94 2fka s LYS 7 Ca 0.84 0.22 -0.05 0.00 -0.36 0.00 0.00 55.97 56.62 2fka s LYS 7 Cb -0.88 -3.77 -0.06 0.00 -1.51 0.00 0.00 37.83 31.62 2fka s LYS 7 CO 0.45 -0.67 0.39 -0.06 -0.36 0.00 0.00 175.35 175.10 2fka s PHE 8 N 2.72 3.47 -0.18 4.03 0.40 -0.25 -0.54 117.98 127.64 2fka s PHE 8 Ca 0.26 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 2fka s PHE 8 Cb -0.14 -2.03 0.01 0.00 0.51 0.00 0.00 43.02 41.37 2fka s PHE 8 CO 0.13 0.42 -0.17 -1.17 0.70 0.00 0.00 175.22 175.14 2fka s LEU 9 N -2.65 2.28 -0.28 -0.37 2.96 -0.21 -1.08 118.68 119.34 2fka s LEU 9 Ca 0.41 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 2fka s LEU 9 Cb -0.12 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2fka s LEU 9 CO 0.24 0.01 0.13 -0.69 -1.32 0.00 0.00 176.35 174.72 2fka s VAL 10 N 1.22 4.60 -0.17 1.68 1.01 -0.13 -1.14 120.40 127.46 2fka s VAL 10 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2fka s VAL 10 Cb -0.14 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 2fka s VAL 10 CO -0.09 0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.40 2fka s VAL 11 N 1.64 2.90 -0.26 2.92 1.01 0.09 -1.39 120.40 127.31 2fka s VAL 11 Ca 0.06 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 2fka s VAL 11 Cb -0.16 -2.26 0.12 0.00 0.00 0.00 0.00 36.38 34.08 2fka s VAL 11 CO 0.06 0.49 1.02 -0.62 0.00 0.00 0.00 175.10 176.05 2fka s ASP 12 N 1.00 -0.44 0.00 3.32 -1.08 -0.87 -0.89 116.67 117.71 2fka s ASP 12 Ca -0.01 0.79 0.30 0.00 -0.52 0.00 0.00 52.55 53.11 2fka s ASP 12 Cb -0.15 0.77 1.60 0.00 -1.46 0.00 0.00 42.92 43.68 2fka s ASP 12 CO -0.02 -0.19 2.08 -0.90 0.52 0.00 0.00 175.17 176.66 2fka n ASP 13 N 1.93 0.00 -4.34 -0.34 5.75 -1.20 -4.29 116.55 114.06 2fka n ASP 13 Ca -0.12 -0.33 -0.37 0.00 -0.01 0.00 0.00 54.79 53.95 2fka n ASP 13 Cb 0.56 -0.22 -0.12 0.00 -1.03 0.00 0.00 41.12 40.31 2fka n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2fka s PHE 14 N -2.44 3.17 0.30 2.11 0.40 -1.26 -4.99 117.98 115.26 2fka s PHE 14 Ca 0.33 -1.03 0.05 0.00 -0.60 0.00 0.00 56.93 55.68 2fka s PHE 14 Cb 0.20 -2.27 0.68 0.00 0.51 0.00 0.00 43.02 42.15 2fka s PHE 14 CO 0.43 -0.60 1.81 0.66 0.70 0.00 0.00 175.22 178.23 2fka h SER 15 N 8.24 0.83 -0.64 1.36 4.64 -1.99 -2.17 113.55 123.82 2fka h SER 15 Ca -0.30 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 2fka h SER 15 Cb 1.12 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2fka h SER 15 CO 0.61 0.36 0.14 0.74 -0.87 0.00 0.00 176.83 177.81 2fka h THR 16 N 0.85 1.26 -0.74 2.95 2.02 -1.97 -1.46 112.91 115.82 2fka h THR 16 Ca 0.54 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 2fka h THR 16 Cb 0.74 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2fka h THR 16 CO -0.32 0.37 0.21 -0.03 0.37 0.00 0.00 175.52 176.11 2fka h MET 17 N 1.00 1.16 -0.68 6.66 -1.53 -1.82 -0.72 114.93 119.01 2fka h MET 17 Ca 0.21 -0.26 -0.03 0.00 -3.44 0.00 0.00 59.70 56.17 2fka h MET 17 Cb 0.38 -0.16 -0.03 0.00 -0.55 0.00 0.00 31.60 31.24 2fka h MET 17 CO 0.00 1.00 0.31 0.00 0.14 0.00 0.00 176.91 178.37 2fka h ARG 18 N 1.11 0.98 -0.57 0.39 3.08 -1.15 -0.94 114.38 117.28 2fka h ARG 18 Ca 0.23 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2fka h ARG 18 Cb 0.34 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2fka h ARG 18 CO -0.00 0.79 0.28 -0.09 -1.07 0.00 0.00 179.97 179.88 2fka h ARG 19 N 0.94 0.82 -0.37 0.04 2.43 -0.91 -0.29 114.38 117.04 2fka h ARG 19 Ca 0.23 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2fka h ARG 19 Cb 0.15 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2fka h ARG 19 CO -0.03 0.66 0.21 0.82 -1.51 0.00 0.00 179.97 180.13 2fka h ILE 20 N 0.77 1.13 -0.65 1.20 2.04 -0.71 0.20 117.51 121.49 2fka h ILE 20 Ca 0.20 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2fka h ILE 20 Cb 0.11 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 2fka h ILE 20 CO -0.03 0.14 0.25 0.58 0.00 0.00 0.00 178.15 179.10 2fka h VAL 21 N 0.47 1.24 -0.79 1.67 2.07 -0.95 0.02 116.25 119.98 2fka h VAL 21 Ca 0.13 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.92 2fka h VAL 21 Cb 0.03 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2fka h VAL 21 CO -0.02 0.30 0.52 -0.09 0.02 0.00 0.00 177.57 178.29 2fka h ARG 22 N 0.92 0.99 -0.33 1.57 2.43 -0.75 -0.63 114.38 118.60 2fka h ARG 22 Ca 0.22 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 2fka h ARG 22 Cb 0.22 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2fka h ARG 22 CO -0.02 0.66 -0.31 -0.91 -1.51 0.00 0.00 179.97 177.88 2fka h ASN 23 N 1.02 0.72 -0.60 -3.80 2.35 -0.43 -0.93 115.58 113.92 2fka h ASN 23 Ca 0.31 -0.29 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2fka h ASN 23 Cb -0.04 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2fka h ASN 23 CO -0.09 0.98 0.13 -0.07 -1.65 0.00 0.00 177.43 176.72 2fka h LEU 24 N 0.59 0.92 -0.41 1.61 3.38 -0.49 -0.63 115.31 120.27 2fka h LEU 24 Ca 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2fka h LEU 24 Cb 0.82 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2fka h LEU 24 CO 0.07 0.93 0.23 -0.07 0.09 0.00 0.00 178.44 179.69 2fka h LEU 25 N 0.87 0.51 -0.89 1.67 3.38 -0.94 -2.01 115.31 117.91 2fka h LEU 25 Ca 0.18 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2fka h LEU 25 Cb 0.38 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2fka h LEU 25 CO 0.01 0.44 0.57 0.50 0.09 0.00 0.00 178.44 180.05 2fka h LYS 26 N 0.54 1.06 0.00 1.13 3.64 -0.85 0.11 116.57 122.20 2fka h LYS 26 Ca 0.15 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2fka h LYS 26 Cb 0.04 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2fka h LYS 26 CO -0.02 0.70 -0.05 1.49 -2.27 0.00 0.00 179.45 179.30 2fka h GLU 27 N 1.09 0.00 -0.01 1.90 4.81 -0.51 0.14 114.58 122.00 2fka h GLU 27 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 2fka h GLU 27 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2fka h GLU 27 CO -0.13 0.05 -0.21 1.28 -0.73 0.00 0.00 179.01 179.27 2fka n LEU 28 N -4.08 0.92 0.00 1.64 4.77 0.23 -4.92 117.00 115.56 2fka n LEU 28 Ca -0.03 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2fka n LEU 28 Cb 0.14 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2fka n LEU 28 CO 0.31 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2fka n GLY 29 N 1.32 0.57 3.42 -0.72 0.00 0.48 -5.03 105.19 105.22 2fka n GLY 29 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 2fka n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fka s PHE 30 N -2.06 2.93 -0.30 1.61 0.08 -0.29 -4.86 117.98 115.09 2fka s PHE 30 Ca 0.00 -0.94 0.23 0.00 0.12 0.00 0.00 56.93 56.34 2fka s PHE 30 Cb 0.00 -4.16 -0.04 0.00 -0.57 0.00 0.00 43.02 38.25 2fka s PHE 30 CO 0.00 -1.45 0.94 0.09 -0.10 0.00 0.00 175.22 174.69 2fka n ASN 31 N 6.79 0.61 -4.48 1.36 3.02 -1.26 -3.12 115.26 118.18 2fka n ASN 31 Ca 0.00 0.13 -0.44 0.00 -0.03 0.00 0.00 54.58 54.24 2fka n ASN 31 Cb 0.45 0.83 -0.02 0.00 -0.61 0.00 0.00 39.78 40.44 2fka n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2fka s ASN 32 N -4.79 6.79 -0.03 6.41 2.47 -1.26 -4.97 114.94 119.55 2fka s ASN 32 Ca -0.01 -2.35 0.02 0.00 0.42 0.00 0.00 52.86 50.94 2fka s ASN 32 Cb 0.12 -2.43 0.01 0.00 -1.45 0.00 0.00 41.25 37.50 2fka s ASN 32 CO 0.81 -1.01 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.44 2fka s VAL 33 N 2.65 0.59 0.32 -5.21 1.01 -1.26 -1.09 120.40 117.41 2fka s VAL 33 Ca 0.39 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.23 2fka s VAL 33 Cb -0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 2fka s VAL 33 CO -0.05 0.21 -0.09 -1.61 0.00 0.00 0.00 175.10 173.56 2fka s GLU 34 N 0.46 1.72 0.20 2.72 2.02 -0.24 -4.98 118.70 120.60 2fka s GLU 34 Ca -0.06 -1.88 0.10 0.00 0.02 0.00 0.00 54.97 53.15 2fka s GLU 34 Cb -0.10 -1.52 -0.04 0.00 0.10 0.00 0.00 34.13 32.56 2fka s GLU 34 CO 0.00 0.12 -0.19 -1.21 0.02 0.00 0.00 175.26 174.00 2fka s GLU 35 N -3.64 1.41 -0.03 1.61 2.02 -1.26 -0.95 118.70 117.85 2fka s GLU 35 Ca 0.31 -1.54 -0.08 0.00 0.02 0.00 0.00 54.97 53.69 2fka s GLU 35 Cb 0.02 -1.46 0.01 0.00 0.10 0.00 0.00 34.13 32.80 2fka s GLU 35 CO 0.15 0.29 0.17 0.00 0.02 0.00 0.00 175.26 175.88 2fka s ALA 36 N -2.27 -0.41 -1.45 5.21 0.00 -0.48 -4.90 121.76 117.45 2fka s ALA 36 Ca 0.21 0.16 0.23 0.00 0.00 0.00 0.00 51.96 52.56 2fka s ALA 36 Cb -0.05 -0.06 0.13 0.00 0.00 0.00 0.00 23.12 23.14 2fka s ALA 36 CO 0.09 -0.16 1.16 -0.85 0.00 0.00 0.00 175.76 175.99 2fka n GLU 37 N 2.05 0.52 -3.89 0.00 0.28 -1.26 -2.06 120.64 116.27 2fka n GLU 37 Ca -0.19 -0.40 -0.02 0.00 -0.16 0.00 0.00 57.16 56.40 2fka n GLU 37 Cb 0.57 -1.49 0.02 0.00 1.43 0.00 0.00 31.44 31.96 2fka n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2fka s ASP 38 N -2.75 -0.00 0.27 -1.84 1.47 -1.26 -3.28 116.67 109.27 2fka s ASP 38 Ca 0.15 -0.56 -0.05 0.00 1.18 0.00 0.00 52.55 53.27 2fka s ASP 38 Cb 0.17 0.42 0.32 0.00 -0.34 0.00 0.00 42.92 43.50 2fka s ASP 38 CO 0.69 -0.83 1.94 1.23 0.68 0.00 0.00 175.17 178.88 2fka h GLY 39 N 2.00 1.35 0.68 2.12 0.00 -1.52 0.66 103.07 108.36 2fka h GLY 39 Ca -0.26 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 2fka h GLY 39 CO 0.34 0.48 -0.01 -2.08 0.00 0.00 0.00 176.54 175.27 2fka h VAL 40 N 1.28 1.22 -0.95 4.60 2.07 -1.88 -0.62 116.25 121.97 2fka h VAL 40 Ca 0.35 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.19 2fka h VAL 40 Cb -0.13 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 2fka h VAL 40 CO -0.08 0.19 0.61 -0.78 0.02 0.00 0.00 177.57 177.53 2fka h ASP 41 N -0.35 0.99 -0.31 0.57 3.58 -1.92 -0.60 116.42 118.38 2fka h ASP 41 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2fka h ASP 41 Cb 0.33 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2fka h ASP 41 CO 0.00 0.65 0.14 0.00 -2.88 0.00 0.00 179.24 177.16 2fka h ALA 42 N 1.42 0.40 -0.68 -0.78 0.00 -0.56 -1.96 119.26 117.10 2fka h ALA 42 Ca 0.40 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2fka h ALA 42 Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2fka h ALA 42 CO -0.15 -0.03 0.30 -0.07 0.00 0.00 0.00 179.25 179.29 2fka h LEU 43 N 0.36 0.90 -0.39 0.00 3.38 -0.55 0.22 115.31 119.23 2fka h LEU 43 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fka h LEU 43 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2fka h LEU 43 CO -0.01 0.78 0.26 -1.13 0.09 0.00 0.00 178.44 178.43 2fka h ASN 44 N 0.97 0.45 0.77 -0.43 -0.73 -0.67 -2.10 115.58 113.85 2fka h ASN 44 Ca 0.23 -0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.28 2fka h ASN 44 Cb 0.15 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 2fka h ASN 44 CO -0.03 0.34 -0.49 0.11 -0.37 0.00 0.00 177.43 176.99 2fka h LYS 45 N 0.53 0.00 0.00 6.67 1.57 -0.96 -2.78 116.57 121.60 2fka h LYS 45 Ca 0.14 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2fka h LYS 45 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2fka h LYS 45 CO -0.03 0.49 -0.31 -0.07 -0.57 0.00 0.00 179.45 178.96 2fka h LEU 46 N 0.00 0.00 -2.22 2.94 3.38 -0.50 -2.33 115.31 116.58 2fka h LEU 46 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2fka h LEU 46 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2fka h LEU 46 CO 0.06 0.31 0.00 1.56 0.09 0.00 0.00 178.44 180.47 2fka h GLN 47 N 0.00 0.00 0.00 1.13 4.20 -1.09 -0.55 115.11 118.80 2fka h GLN 47 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2fka h GLN 47 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2fka h GLN 47 CO 0.04 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 2fka n ALA 48 N -2.04 1.97 -0.51 3.87 0.00 -0.87 -5.02 120.51 117.91 2fka n ALA 48 Ca -0.01 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2fka n ALA 48 Cb 0.16 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 2fka n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fka n GLY 49 N 0.67 -2.09 1.13 0.00 0.00 -0.22 -4.97 105.19 99.72 2fka n GLY 49 Ca 0.04 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2fka n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fka n GLY 50 N -2.98 3.24 3.77 -0.02 0.00 -1.26 -5.00 105.19 102.93 2fka n GLY 50 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2fka n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fka s PHE 51 N -2.42 3.07 0.00 1.61 0.40 -1.26 -4.55 117.98 114.82 2fka s PHE 51 Ca 0.00 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.85 2fka s PHE 51 Cb 0.00 -3.49 0.00 0.00 0.51 0.00 0.00 43.02 40.04 2fka s PHE 51 CO 0.00 -1.49 0.32 0.41 0.70 0.00 0.00 175.22 175.16 2fka n GLY 52 N 0.73 -0.59 3.64 4.36 0.00 0.30 -4.94 105.19 108.69 2fka n GLY 52 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2fka n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fka s PHE 53 N -0.15 -0.74 -0.08 1.61 2.19 -1.06 -4.36 117.98 115.39 2fka s PHE 53 Ca 0.00 1.64 0.04 0.00 0.33 0.00 0.00 56.93 58.94 2fka s PHE 53 Cb 0.00 0.41 -0.01 0.00 -1.31 0.00 0.00 43.02 42.11 2fka s PHE 53 CO 0.00 -0.36 -0.22 0.42 1.83 0.00 0.00 175.22 176.89 2fka s ILE 54 N 0.87 2.32 -0.22 3.12 -1.09 -0.41 -1.04 121.20 124.75 2fka s ILE 54 Ca -0.04 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.45 2fka s ILE 54 Cb -0.05 -1.88 0.04 0.00 -1.58 0.00 0.00 42.46 38.99 2fka s ILE 54 CO -0.10 0.56 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.39 2fka s ILE 55 N 0.02 2.15 -0.03 2.92 1.01 -0.29 -0.76 121.20 126.22 2fka s ILE 55 Ca -0.08 -1.23 0.05 0.00 0.00 0.00 0.00 60.65 59.39 2fka s ILE 55 Cb -0.15 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 2fka s ILE 55 CO 0.05 0.29 -0.17 -0.55 0.00 0.00 0.00 174.94 174.56 2fka s SER 56 N 1.21 2.09 0.74 3.58 0.15 -0.09 -0.73 113.70 120.64 2fka s SER 56 Ca -0.01 -0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.20 2fka s SER 56 Cb -0.16 -0.38 0.03 0.00 -1.71 0.00 0.00 66.02 63.80 2fka s SER 56 CO -0.09 0.19 1.08 -0.62 1.20 0.00 0.00 173.24 174.99 2fka s ASP 57 N -0.22 4.89 -0.11 5.45 2.15 -0.07 -0.79 116.67 127.98 2fka s ASP 57 Ca 0.02 1.74 -0.03 0.00 0.43 0.00 0.00 52.55 54.71 2fka s ASP 57 Cb -0.09 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 40.01 2fka s ASP 57 CO 0.00 -1.77 -0.06 -0.25 -0.17 0.00 0.00 175.17 172.92 2fka h TRP 58 N -0.91 0.00 -3.58 -5.34 2.91 -1.65 -3.20 115.95 104.18 2fka h TRP 58 Ca -0.44 0.00 -0.64 0.00 1.13 0.00 0.00 58.89 58.94 2fka h TRP 58 Cb 1.22 0.00 -0.14 0.00 -0.51 0.00 0.00 29.16 29.73 2fka h TRP 58 CO 0.59 0.00 0.16 -0.80 -1.03 0.00 0.00 178.44 177.37 2fka s ASN 59 N -5.41 6.38 -0.02 2.65 0.01 -1.26 -0.57 114.94 116.72 2fka s ASN 59 Ca -0.05 -0.07 -0.10 0.00 -0.71 0.00 0.00 52.86 51.92 2fka s ASN 59 Cb 0.01 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.35 2fka s ASN 59 CO 0.08 -0.71 0.21 -0.04 -1.51 0.00 0.00 177.10 175.13 2fka s MET 60 N 2.83 0.52 0.79 -0.60 -1.94 -1.26 -4.72 119.30 114.91 2fka s MET 60 Ca 0.24 -0.23 -0.11 0.00 -1.71 0.00 0.00 55.69 53.88 2fka s MET 60 Cb -0.14 0.23 0.06 0.00 2.01 0.00 0.00 34.83 36.99 2fka s MET 60 CO 0.17 -0.13 1.09 -1.25 -0.01 0.00 0.00 175.02 174.89 2fka s PRO 61 N -1.16 2.16 0.00 2.03 0.04 -1.26 -3.47 135.00 133.34 2fka s PRO 61 Ca -0.12 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2fka s PRO 61 Cb -0.06 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2fka s PRO 61 CO 0.02 -1.60 0.00 0.09 0.04 0.00 0.00 177.00 175.55 2fka n ASN 62 N -3.44 0.00 -3.57 6.66 3.02 -1.26 -4.45 115.26 112.23 2fka n ASN 62 Ca 0.07 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.57 2fka n ASN 62 Cb 0.55 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.66 2fka n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2fka s MET 63 N 0.00 0.43 0.87 3.52 1.75 -1.26 -4.91 119.30 119.70 2fka s MET 63 Ca 0.00 1.10 -0.14 0.00 -1.25 0.00 0.00 55.69 55.40 2fka s MET 63 Cb 0.00 0.42 0.20 0.00 2.84 0.00 0.00 34.83 38.29 2fka s MET 63 CO 0.00 -0.32 1.19 -0.40 -0.65 0.00 0.00 175.02 174.84 2fka n ASP 64 N 5.41 0.21 -0.18 1.11 5.68 -1.23 -1.63 116.55 125.92 2fka n ASP 64 Ca -0.08 -1.50 -0.06 0.00 -0.50 0.00 0.00 54.79 52.65 2fka n ASP 64 Cb 0.50 -0.90 0.11 0.00 -1.14 0.00 0.00 41.12 39.69 2fka n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2fka h GLY 65 N -1.49 1.04 0.94 6.12 0.00 -0.83 -0.69 103.07 108.16 2fka h GLY 65 Ca -0.38 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.21 2fka h GLY 65 CO 0.28 0.63 0.01 -2.00 0.00 0.00 0.00 176.54 175.46 2fka h LEU 66 N 0.91 0.67 -0.69 3.11 5.85 -1.84 -0.44 115.31 122.88 2fka h LEU 66 Ca 0.18 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2fka h LEU 66 Cb 0.41 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2fka h LEU 66 CO 0.01 0.80 0.33 -0.33 -0.34 0.00 0.00 178.44 178.91 2fka h GLU 67 N 0.51 1.00 -0.17 1.25 5.08 -1.87 -1.00 114.58 119.38 2fka h GLU 67 Ca 0.11 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2fka h GLU 67 Cb 0.45 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2fka h GLU 67 CO 0.02 0.80 0.08 1.25 -1.00 0.00 0.00 179.01 180.16 2fka h LEU 68 N 0.97 0.22 -0.37 1.33 5.85 -0.96 -1.60 115.31 120.75 2fka h LEU 68 Ca 0.24 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2fka h LEU 68 Cb 0.13 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2fka h LEU 68 CO -0.03 0.27 0.08 0.25 -0.34 0.00 0.00 178.44 178.68 2fka h LEU 69 N 0.15 0.03 -0.66 2.25 5.85 -0.73 -0.74 115.31 121.46 2fka h LEU 69 Ca 0.06 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2fka h LEU 69 Cb 0.11 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2fka h LEU 69 CO -0.01 0.05 0.36 0.11 -0.34 0.00 0.00 178.44 178.62 2fka h LYS 70 N 0.21 0.92 -0.66 1.25 1.57 -1.03 -1.07 116.57 117.76 2fka h LYS 70 Ca 0.18 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2fka h LYS 70 Cb 0.20 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 2fka h LYS 70 CO -0.22 0.69 0.42 1.15 -0.57 0.00 0.00 179.45 180.92 2fka h THR 71 N 0.90 1.10 -0.10 -0.16 2.02 -0.75 -0.47 112.91 115.46 2fka h THR 71 Ca 0.23 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2fka h THR 71 Cb 0.04 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2fka h THR 71 CO -0.04 0.15 0.04 0.40 0.37 0.00 0.00 175.52 176.44 2fka h ILE 72 N 0.83 1.14 0.00 3.11 2.04 -0.85 -2.90 117.51 120.87 2fka h ILE 72 Ca 0.26 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2fka h ILE 72 Cb -0.01 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2fka h ILE 72 CO -0.09 0.12 -0.18 0.03 0.00 0.00 0.00 178.15 178.02 2fka h ARG 73 N 0.01 0.00 -0.06 2.37 2.47 -0.84 -2.52 114.38 115.82 2fka h ARG 73 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2fka h ARG 73 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2fka h ARG 73 CO -0.00 0.18 0.00 0.00 0.56 0.00 0.00 179.97 180.71 2fka n ALA 74 N -2.31 2.55 -2.75 0.04 0.00 -0.22 -4.64 120.51 113.19 2fka n ALA 74 Ca -0.02 -0.50 -0.36 0.00 0.00 0.00 0.00 53.44 52.57 2fka n ALA 74 Cb 0.30 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 2fka n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2fka s ASP 75 N -1.90 5.90 0.31 0.00 -1.08 -0.97 -5.00 116.67 113.92 2fka s ASP 75 Ca 0.36 0.08 0.05 0.00 -0.52 0.00 0.00 52.55 52.52 2fka s ASP 75 Cb 0.20 -2.05 0.70 0.00 -1.46 0.00 0.00 42.92 40.31 2fka s ASP 75 CO 0.32 0.09 1.81 0.77 0.52 0.00 0.00 175.17 178.68 2fka h SER 76 N 7.33 0.81 1.26 -0.34 4.64 -1.89 0.23 113.55 125.59 2fka h SER 76 Ca -0.38 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 60.94 2fka h SER 76 Cb 1.17 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2fka h SER 76 CO 0.67 0.36 -0.77 0.00 -0.87 0.00 0.00 176.83 176.21 2fka h ALA 77 N 1.60 0.69 -0.00 5.18 0.00 -1.94 -3.37 119.26 121.41 2fka h ALA 77 Ca 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2fka h ALA 77 Cb 0.74 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2fka h ALA 77 CO -0.31 0.42 -0.46 -1.33 0.00 0.00 0.00 179.25 177.58 2fka n MET 78 N -2.97 2.53 0.06 0.00 2.81 -0.90 -4.75 117.12 113.89 2fka n MET 78 Ca -0.01 -0.28 0.21 0.00 -1.81 0.00 0.00 57.70 55.81 2fka n MET 78 Cb 0.68 -1.12 0.71 0.00 -0.71 0.00 0.00 33.22 32.78 2fka n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2fka h SER 79 N 0.57 0.00 0.15 7.83 4.64 -0.35 -1.20 113.55 125.19 2fka h SER 79 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2fka h SER 79 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2fka h SER 79 CO 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 176.83 175.42 2fka n ALA 80 N -2.33 3.69 -1.67 5.18 0.00 -1.26 -4.63 120.51 119.49 2fka n ALA 80 Ca 0.09 -0.52 -0.45 0.00 0.00 0.00 0.00 53.44 52.56 2fka n ALA 80 Cb 0.73 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 2fka n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fka n LEU 81 N -0.79 3.20 -4.76 0.00 4.77 -0.46 -4.93 117.00 114.03 2fka n LEU 81 Ca 0.08 1.09 -0.41 0.00 -0.03 0.00 0.00 56.01 56.74 2fka n LEU 81 Cb 0.38 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.01 2fka n LEU 81 CO 0.32 -0.27 1.10 -2.84 -1.33 0.00 0.00 177.39 174.37 2fka s PRO 82 N 0.70 4.22 -0.12 3.23 0.02 -1.26 -4.92 135.00 136.87 2fka s PRO 82 Ca 0.77 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 64.18 2fka s PRO 82 Cb -0.66 -3.04 0.04 0.00 0.02 0.00 0.00 34.50 30.86 2fka s PRO 82 CO 0.39 -0.43 -0.01 0.08 -0.33 0.00 0.00 177.00 176.71 2fka s VAL 83 N -0.64 0.62 -0.31 3.83 1.01 -1.26 -1.29 120.40 122.36 2fka s VAL 83 Ca 0.55 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 2fka s VAL 83 Cb -0.44 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2fka s VAL 83 CO 0.53 0.14 0.20 -0.22 0.00 0.00 0.00 175.10 175.74 2fka s LEU 84 N 1.85 4.20 0.08 3.92 2.96 0.06 -0.51 118.68 131.24 2fka s LEU 84 Ca 0.03 -0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 53.46 2fka s LEU 84 Cb -0.14 -2.10 -0.06 0.00 0.50 0.00 0.00 46.19 44.38 2fka s LEU 84 CO -0.07 -0.14 0.69 -0.04 -1.32 0.00 0.00 176.35 175.47 2fka s MET 85 N 1.72 4.42 -0.03 1.98 -1.94 -0.64 -0.92 119.30 123.90 2fka s MET 85 Ca 0.06 0.96 0.07 0.00 -1.71 0.00 0.00 55.69 55.07 2fka s MET 85 Cb -0.17 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.35 2fka s MET 85 CO 0.10 0.46 -0.23 0.14 -0.01 0.00 0.00 175.02 175.48 2fka s VAL 86 N -0.62 1.83 0.00 -6.03 -7.23 0.03 -0.23 120.40 108.17 2fka s VAL 86 Ca 0.34 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 2fka s VAL 86 Cb -0.21 -1.53 -0.00 0.00 0.56 0.00 0.00 36.38 35.20 2fka s VAL 86 CO 0.22 0.52 0.09 0.28 -0.31 0.00 0.00 175.10 175.90 2fka s THR 87 N -0.43 0.08 0.26 5.32 -1.32 -0.61 -1.61 115.64 117.34 2fka s THR 87 Ca 0.06 -0.69 0.18 0.00 -1.21 0.00 0.00 61.69 60.02 2fka s THR 87 Cb -0.10 -0.36 0.13 0.00 -1.51 0.00 0.00 72.50 70.65 2fka s THR 87 CO 0.00 -0.38 1.78 0.00 -2.21 0.00 0.00 174.62 173.81 2fka h ALA 88 N 4.52 1.11 -2.76 11.08 0.00 -1.89 0.12 119.26 131.44 2fka h ALA 88 Ca -0.31 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.12 2fka h ALA 88 Cb 1.20 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.65 2fka h ALA 88 CO 0.41 0.46 -0.38 -2.00 0.00 0.00 0.00 179.25 177.74 2fka s GLU 89 N -3.81 0.31 -0.18 0.00 2.12 -1.26 -4.66 118.70 111.21 2fka s GLU 89 Ca -0.01 0.73 -0.25 0.00 0.36 0.00 0.00 54.97 55.80 2fka s GLU 89 Cb 0.12 -0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.48 2fka s GLU 89 CO 0.69 -0.18 0.82 0.00 -0.54 0.00 0.00 175.26 176.05 2fka s ALA 90 N 1.58 3.54 -0.02 6.30 0.00 -1.26 -5.03 121.76 126.87 2fka s ALA 90 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 51.96 51.93 2fka s ALA 90 Cb -0.10 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2fka s ALA 90 CO -0.11 -0.69 -0.17 0.15 0.00 0.00 0.00 175.76 174.94 2fka s LYS 91 N 2.25 1.42 0.28 0.00 1.02 -1.26 -5.04 119.74 118.40 2fka s LYS 91 Ca 0.37 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.79 2fka s LYS 91 Cb -0.16 -1.34 0.61 0.00 -0.52 0.00 0.00 37.83 36.42 2fka s LYS 91 CO 0.11 0.33 1.76 0.87 -0.92 0.00 0.00 175.35 177.51 2fka h LYS 92 N 5.83 0.64 -0.84 1.68 1.57 -1.99 -1.43 116.57 122.03 2fka h LYS 92 Ca -0.36 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.35 2fka h LYS 92 Cb 1.16 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 2fka h LYS 92 CO 0.48 0.42 0.38 1.49 -0.57 0.00 0.00 179.45 181.65 2fka h GLU 93 N 0.66 1.22 -0.06 3.15 4.81 -1.99 -0.75 114.58 121.62 2fka h GLU 93 Ca 0.51 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 59.37 2fka h GLU 93 Cb 0.76 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2fka h GLU 93 CO -0.38 0.95 -0.70 -0.91 -0.73 0.00 0.00 179.01 177.24 2fka h ASN 94 N 1.20 0.34 -0.33 1.04 2.35 -1.71 -1.33 115.58 117.14 2fka h ASN 94 Ca 0.28 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2fka h ASN 94 Cb 0.15 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2fka h ASN 94 CO -0.03 0.94 0.02 0.40 -1.65 0.00 0.00 177.43 177.11 2fka h ILE 95 N 0.20 1.25 -0.39 2.81 2.04 -1.00 0.86 117.51 123.28 2fka h ILE 95 Ca -0.02 -0.92 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 2fka h ILE 95 Cb 1.26 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 2fka h ILE 95 CO 0.11 0.30 -0.14 0.40 0.00 0.00 0.00 178.15 178.82 2fka h ILE 96 N 0.39 1.26 -0.67 -0.67 1.08 -1.11 -1.28 117.51 116.51 2fka h ILE 96 Ca 0.10 -1.19 -0.05 0.00 -0.39 0.00 0.00 64.86 63.33 2fka h ILE 96 Cb 0.42 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.25 2fka h ILE 96 CO 0.01 0.40 0.22 0.00 -0.69 0.00 0.00 178.15 178.09 2fka h ALA 97 N 1.20 0.87 -0.62 1.87 0.00 -1.00 -1.43 119.26 120.15 2fka h ALA 97 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2fka h ALA 97 Cb 0.61 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2fka h ALA 97 CO 0.04 0.54 0.31 0.00 0.00 0.00 0.00 179.25 180.13 2fka h ALA 98 N 1.09 0.80 -0.32 0.00 0.00 -0.30 -1.63 119.26 118.90 2fka h ALA 98 Ca 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2fka h ALA 98 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2fka h ALA 98 CO -0.01 0.36 0.10 0.00 0.00 0.00 0.00 179.25 179.70 2fka h ALA 99 N 1.14 0.42 -0.55 0.00 0.00 -1.03 -0.02 119.26 119.22 2fka h ALA 99 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2fka h ALA 99 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2fka h ALA 99 CO -0.03 0.06 0.32 1.96 0.00 0.00 0.00 179.25 181.56 2fka h GLN 100 N 0.37 0.75 -0.00 0.00 4.20 -1.01 -2.34 115.11 117.07 2fka h GLN 100 Ca 0.10 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2fka h GLN 100 Cb 0.24 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2fka h GLN 100 CO -0.00 0.54 -0.14 0.00 -0.67 0.00 0.00 178.83 178.56 2fka n ALA 101 N -2.45 2.74 -0.25 3.87 0.00 -0.63 -4.94 120.51 118.84 2fka n ALA 101 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2fka n ALA 101 Cb 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2fka n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fka n GLY 102 N 1.41 1.27 3.75 0.00 0.00 -0.88 -4.63 105.19 106.12 2fka n GLY 102 Ca 0.10 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 2fka n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fka s ALA 103 N -2.00 3.74 0.15 4.61 0.00 -0.07 -4.84 121.76 123.35 2fka s ALA 103 Ca 0.00 1.58 0.06 0.00 0.00 0.00 0.00 51.96 53.60 2fka s ALA 103 Cb 0.00 -3.65 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 2fka s ALA 103 CO 0.00 -1.00 1.33 0.77 0.00 0.00 0.00 175.76 176.87 2fka h SER 104 N 4.76 0.05 -5.17 0.00 0.02 -1.14 -3.46 113.55 108.62 2fka h SER 104 Ca -0.47 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.41 2fka h SER 104 Cb 1.22 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.66 2fka h SER 104 CO 0.79 0.96 -0.02 -0.83 -1.14 0.00 0.00 176.83 176.59 2fka s GLY 105 N -4.65 0.34 -0.22 -3.77 0.00 -1.07 -4.85 107.32 93.10 2fka s GLY 105 Ca -0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 44.72 43.97 2fka s GLY 105 CO 0.82 -0.46 0.42 -0.47 0.00 0.00 0.00 173.10 173.40 2fka s TYR 106 N -3.98 -0.85 0.00 1.90 5.04 -1.26 -1.62 117.35 116.59 2fka s TYR 106 Ca 0.19 1.39 0.02 0.00 -2.44 0.00 0.00 57.07 56.23 2fka s TYR 106 Cb -0.02 0.26 -0.01 0.00 0.35 0.00 0.00 41.96 42.54 2fka s TYR 106 CO 0.08 -0.56 -0.07 0.54 -1.34 0.00 0.00 175.55 174.20 2fka s VAL 107 N 2.61 0.57 -0.07 3.14 0.11 0.69 -4.97 120.40 122.47 2fka s VAL 107 Ca 0.02 -0.39 -0.20 0.00 -2.93 0.00 0.00 61.98 58.48 2fka s VAL 107 Cb -0.13 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2fka s VAL 107 CO -0.14 0.10 0.57 -0.69 -3.33 0.00 0.00 175.10 171.62 2fka s VAL 108 N -0.29 5.08 0.33 2.04 1.01 -1.26 -1.57 120.40 125.73 2fka s VAL 108 Ca 0.02 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 2fka s VAL 108 Cb -0.03 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2fka s VAL 108 CO -0.00 0.33 0.59 -1.59 0.00 0.00 0.00 175.10 174.42 2fka s LYS 109 N 0.45 3.59 0.66 2.72 -2.85 0.42 -4.21 119.74 120.53 2fka s LYS 109 Ca 0.31 -0.04 -0.11 0.00 -1.00 0.00 0.00 55.97 55.13 2fka s LYS 109 Cb -0.17 -2.61 -0.01 0.00 -2.06 0.00 0.00 37.83 32.98 2fka s LYS 109 CO 0.14 0.14 1.05 -1.25 0.10 0.00 0.00 175.35 175.53 2fka s PRO 110 N -3.88 3.18 0.03 1.78 0.04 -1.26 -4.73 135.00 130.16 2fka s PRO 110 Ca 0.44 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 2fka s PRO 110 Cb -0.10 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2fka s PRO 110 CO 0.33 -0.91 0.05 -0.59 0.04 0.00 0.00 177.00 175.92 2fka s PHE 111 N -3.04 0.25 0.70 0.56 -0.12 -1.26 -5.17 117.98 109.90 2fka s PHE 111 Ca 0.57 -0.56 -0.06 0.00 -0.05 0.00 0.00 56.93 56.84 2fka s PHE 111 Cb -0.13 -0.18 0.07 0.00 -0.63 0.00 0.00 43.02 42.15 2fka s PHE 111 CO 0.53 -0.31 1.01 0.95 -0.05 0.00 0.00 175.22 177.35 2fka s THR 112 N -2.37 2.29 0.27 -4.49 -4.23 -1.26 -4.91 115.64 100.93 2fka s THR 112 Ca -0.07 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.08 2fka s THR 112 Cb -0.03 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 71.05 2fka s THR 112 CO -0.04 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 175.92 2fka h ALA 113 N -0.59 1.25 -0.58 3.99 0.00 -1.99 -0.68 119.26 120.67 2fka h ALA 113 Ca -0.44 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.35 2fka h ALA 113 Cb 1.31 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2fka h ALA 113 CO 0.57 0.59 0.38 0.00 0.00 0.00 0.00 179.25 180.80 2fka h ALA 114 N 1.36 0.73 -0.34 0.00 0.00 -1.97 0.32 119.26 119.36 2fka h ALA 114 Ca 0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2fka h ALA 114 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2fka h ALA 114 CO -0.04 0.17 0.06 1.15 0.00 0.00 0.00 179.25 180.59 2fka h THR 115 N 0.78 1.23 -0.43 0.00 2.02 -1.78 -1.43 112.91 113.31 2fka h THR 115 Ca 0.21 -0.81 0.05 0.00 0.77 0.00 0.00 66.41 66.63 2fka h THR 115 Cb -0.09 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 2fka h THR 115 CO -0.05 0.27 0.16 0.25 0.37 0.00 0.00 175.52 176.53 2fka h LEU 116 N 0.39 0.19 -0.82 2.58 5.85 -0.74 -0.79 115.31 121.96 2fka h LEU 116 Ca 0.10 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2fka h LEU 116 Cb 0.34 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2fka h LEU 116 CO 0.01 0.14 0.52 -0.08 -0.34 0.00 0.00 178.44 178.69 2fka h GLU 117 N 0.34 0.97 -0.37 1.25 4.81 -0.79 0.26 114.58 121.04 2fka h GLU 117 Ca 0.20 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2fka h GLU 117 Cb 0.17 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2fka h GLU 117 CO -0.19 0.64 0.15 1.49 -0.73 0.00 0.00 179.01 180.37 2fka h GLU 118 N 1.00 0.56 -0.46 1.92 4.81 -0.57 -0.64 114.58 121.20 2fka h GLU 118 Ca 0.34 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.34 2fka h GLU 118 Cb 0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2fka h GLU 118 CO -0.13 0.54 -0.21 0.87 -0.73 0.00 0.00 179.01 179.35 2fka h LYS 119 N 0.46 0.96 -0.41 1.92 1.79 -0.66 -1.59 116.57 119.03 2fka h LYS 119 Ca 0.12 -0.41 -0.01 0.00 -2.18 0.00 0.00 60.65 58.17 2fka h LYS 119 Cb 0.20 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2fka h LYS 119 CO -0.01 1.08 0.21 -0.07 -1.08 0.00 0.00 179.45 179.58 2fka h LEU 120 N 0.80 0.53 -1.08 2.94 3.38 -0.86 -2.69 115.31 118.33 2fka h LEU 120 Ca 0.10 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2fka h LEU 120 Cb 0.79 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2fka h LEU 120 CO 0.07 0.49 -0.05 0.78 0.09 0.00 0.00 178.44 179.82 2fka h ASN 121 N 0.53 0.57 -0.76 -0.43 2.35 -0.96 0.98 115.58 117.85 2fka h ASN 121 Ca 0.14 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2fka h ASN 121 Cb 0.09 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2fka h ASN 121 CO -0.02 0.67 0.50 0.11 -1.65 0.00 0.00 177.43 177.04 2fka h LYS 122 N 0.56 1.01 -0.19 0.81 1.57 -1.12 -0.50 116.57 118.70 2fka h LYS 122 Ca 0.11 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2fka h LYS 122 Cb 0.43 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2fka h LYS 122 CO 0.02 0.67 -0.16 0.82 -0.57 0.00 0.00 179.45 180.23 2fka h ILE 123 N 1.03 1.33 -0.68 1.86 2.04 -1.03 -1.80 117.51 120.26 2fka h ILE 123 Ca 0.28 -1.29 0.06 0.00 1.00 0.00 0.00 64.86 64.91 2fka h ILE 123 Cb -0.11 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 2fka h ILE 123 CO -0.06 0.39 0.38 -0.26 0.00 0.00 0.00 178.15 178.60 2fka h PHE 124 N 0.12 0.69 -0.31 1.37 0.04 -0.63 -1.09 116.94 117.12 2fka h PHE 124 Ca 0.04 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 2fka h PHE 124 Cb 0.68 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2fka h PHE 124 CO 0.08 0.32 0.09 0.93 -0.60 0.00 0.00 178.31 179.13 2fka h GLU 125 N 0.69 0.49 -0.92 1.51 5.08 -1.01 0.14 114.58 120.57 2fka h GLU 125 Ca 0.31 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2fka h GLU 125 Cb 0.20 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2fka h GLU 125 CO -0.19 0.55 0.61 -0.22 -1.00 0.00 0.00 179.01 178.76 2fka h LYS 126 N 0.34 1.20 -0.05 2.33 3.64 -0.90 -2.91 116.57 120.22 2fka h LYS 126 Ca 0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2fka h LYS 126 Cb 0.27 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2fka h LYS 126 CO -0.00 0.79 0.00 1.28 -2.27 0.00 0.00 179.45 179.25 2fka n LEU 127 N -4.45 1.79 -1.25 5.20 4.77 -0.45 -4.94 117.00 117.66 2fka n LEU 127 Ca 0.10 -0.62 -0.11 0.00 -0.03 0.00 0.00 56.01 55.35 2fka n LEU 127 Cb 0.02 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2fka n LEU 127 CO 0.36 0.31 -0.14 0.61 -1.33 0.00 0.00 177.39 177.20 2fka n GLY 128 N 1.20 -0.04 0.60 -0.72 0.00 -0.30 -5.06 105.19 100.89 2fka n GLY 128 Ca 0.18 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.91 2fka n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35