#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfj n THR 2 N 0.00 0.00 -2.23 1.12 -1.04 -1.26 -4.96 114.28 105.91 1sfj n THR 2 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1sfj n THR 2 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 1sfj n THR 2 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1sfj n HIS 3 N -0.54 1.46 -2.15 -1.42 -0.00 -1.26 -5.07 115.22 106.24 1sfj n HIS 3 Ca 0.00 -1.84 -0.35 0.00 -0.00 0.00 0.00 57.72 55.53 1sfj n HIS 3 Cb 0.00 -0.27 0.01 0.00 -0.00 0.00 0.00 29.99 29.74 1sfj n HIS 3 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1sfj s VAL 4 N -3.53 3.08 -0.14 1.59 1.01 -1.26 -4.98 120.40 116.17 1sfj s VAL 4 Ca 0.40 0.65 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 1sfj s VAL 4 Cb 0.38 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1sfj s VAL 4 CO -0.03 -0.17 0.00 -1.61 0.00 0.00 0.00 175.10 173.30 1sfj s GLU 5 N -3.40 3.53 -0.11 2.72 2.02 -0.21 -4.99 118.70 118.27 1sfj s GLU 5 Ca 0.73 -0.43 -0.22 0.00 0.02 0.00 0.00 54.97 55.07 1sfj s GLU 5 Cb -0.25 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 1sfj s GLU 5 CO 0.30 0.41 0.64 0.08 0.02 0.00 0.00 175.26 176.71 1sfj s VAL 6 N -0.06 5.07 -0.11 2.63 1.01 -1.26 -1.89 120.40 125.78 1sfj s VAL 6 Ca 0.04 1.29 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 1sfj s VAL 6 Cb -0.13 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1sfj s VAL 6 CO 0.02 0.23 -0.01 -0.69 0.00 0.00 0.00 175.10 174.65 1sfj s VAL 7 N 1.04 4.19 -0.26 2.92 1.01 0.57 -1.47 120.40 128.39 1sfj s VAL 7 Ca 0.33 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 1sfj s VAL 7 Cb -0.17 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1sfj s VAL 7 CO 0.15 0.57 0.05 0.00 0.00 0.00 0.00 175.10 175.86 1sfj s ALA 8 N -0.47 3.06 -0.20 5.51 0.00 0.54 -0.21 121.76 129.99 1sfj s ALA 8 Ca 0.08 -1.26 -0.17 0.00 0.00 0.00 0.00 51.96 50.61 1sfj s ALA 8 Cb -0.12 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1sfj s ALA 8 CO 0.02 -0.65 0.44 0.99 0.00 0.00 0.00 175.76 176.56 1sfj s THR 9 N 1.54 5.17 0.08 0.00 2.01 -0.12 0.72 115.64 125.04 1sfj s THR 9 Ca 0.05 0.79 0.07 0.00 0.31 0.00 0.00 61.69 62.90 1sfj s THR 9 Cb -0.16 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1sfj s THR 9 CO 0.02 0.23 -0.18 0.27 -0.69 0.00 0.00 174.62 174.27 1sfj s ILE 10 N 1.41 1.45 -0.41 1.82 -4.36 -0.38 -4.37 121.20 116.36 1sfj s ILE 10 Ca 0.21 -1.36 0.11 0.00 -0.26 0.00 0.00 60.65 59.35 1sfj s ILE 10 Cb -0.15 -1.33 0.36 0.00 1.25 0.00 0.00 42.46 42.59 1sfj s ILE 10 CO 0.09 -0.07 0.80 0.35 0.24 0.00 0.00 174.94 176.35 1sfj n THR 11 N 1.35 0.65 -1.21 8.37 -2.24 -1.26 -1.15 114.28 118.79 1sfj n THR 11 Ca -0.20 -4.70 -0.29 0.00 -2.27 0.00 0.00 64.05 56.60 1sfj n THR 11 Cb 0.54 -0.46 0.20 0.00 -2.10 0.00 0.00 70.33 68.51 1sfj n THR 11 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1sfj s PRO 12 N -2.72 -0.10 0.48 -0.78 0.04 -1.26 -4.99 135.00 125.66 1sfj s PRO 12 Ca 0.41 0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.77 1sfj s PRO 12 Cb 0.34 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 33.21 1sfj s PRO 12 CO -0.09 -3.03 0.57 -0.65 0.04 0.00 0.00 177.00 173.85 1sfj s GLN 13 N -5.19 2.55 0.35 4.56 -1.52 -1.26 -4.90 119.66 114.25 1sfj s GLN 13 Ca 0.67 -1.50 0.14 0.00 -1.95 0.00 0.00 55.36 52.72 1sfj s GLN 13 Cb -0.15 -2.57 1.14 0.00 -0.22 0.00 0.00 33.01 31.21 1sfj s GLN 13 CO 0.56 -0.46 1.56 1.28 -0.25 0.00 0.00 175.29 177.98 1sfj n LEU 14 N -1.89 0.19 0.00 2.90 7.99 -1.26 -5.13 117.00 119.80 1sfj n LEU 14 Ca 0.08 1.65 0.00 0.00 -0.01 0.00 0.00 56.01 57.74 1sfj n LEU 14 Cb 0.61 -0.74 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 1sfj n LEU 14 CO 0.40 -1.79 0.00 0.00 -1.51 0.00 0.00 177.39 174.49 1sfj n TYR 15 N -5.32 0.00 0.00 -1.77 -0.00 -1.26 -4.92 117.16 103.89 1sfj n TYR 15 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.23 1sfj n TYR 15 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.44 1sfj n TYR 15 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1sfj n GLU 18 N 0.00 0.20 -0.07 -3.48 4.07 -1.26 -5.02 120.64 115.07 1sfj n GLU 18 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1sfj n GLU 18 Cb 0.00 -0.56 -0.01 0.00 -0.06 0.00 0.00 31.44 30.81 1sfj n GLU 18 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1sfj h THR 19 N 0.00 0.91 -0.26 6.31 2.02 -2.05 -2.08 112.91 117.76 1sfj h THR 19 Ca 0.00 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.15 1sfj h THR 19 Cb 0.13 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 1sfj h THR 19 CO 0.00 0.04 -0.53 0.25 0.37 0.00 0.00 175.52 175.64 1sfj h LEU 20 N 0.20 -1.73 -2.09 2.58 5.85 -2.01 0.81 115.31 118.92 1sfj h LEU 20 Ca 0.12 0.22 0.09 0.00 0.84 0.00 0.00 57.88 59.15 1sfj h LEU 20 Cb 0.10 0.69 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1sfj h LEU 20 CO -0.14 -0.44 0.25 -0.29 -0.34 0.00 0.00 178.44 177.48 1sfj h ILE 21 N -0.49 0.64 0.25 4.05 6.09 -1.94 0.20 117.51 126.30 1sfj h ILE 21 Ca 0.06 0.00 -0.34 0.00 -1.37 0.00 0.00 64.86 63.21 1sfj h ILE 21 Cb 0.64 0.81 0.03 0.00 0.47 0.00 0.00 36.82 38.78 1sfj h ILE 21 CO -0.51 0.00 -1.54 -0.61 -3.07 0.00 0.00 178.15 172.43 1sfj h GLN 22 N 0.00 0.52 -1.00 2.19 4.15 -0.04 -2.61 115.11 118.32 1sfj h GLN 22 Ca 0.14 -0.89 0.01 0.00 0.77 0.00 0.00 58.65 58.68 1sfj h GLN 22 Cb 0.65 0.33 -0.05 0.00 0.21 0.00 0.00 27.48 28.62 1sfj h GLN 22 CO -0.00 1.42 0.66 0.87 -1.93 0.00 0.00 178.83 179.85 1sfj h LYS 23 N 0.14 1.32 -0.44 1.69 1.57 0.21 -0.05 116.57 121.01 1sfj h LYS 23 Ca -0.27 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1sfj h LYS 23 Cb 2.16 -0.30 -0.02 0.00 0.08 0.00 0.00 32.23 34.16 1sfj h LYS 23 CO 0.26 0.87 0.26 0.82 -0.57 0.00 0.00 179.45 181.09 1sfj h ILE 24 N 1.35 1.15 0.00 1.86 1.08 -0.70 -2.23 117.51 120.02 1sfj h ILE 24 Ca 0.36 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.44 1sfj h ILE 24 Cb -0.15 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 1sfj h ILE 24 CO -0.08 0.15 -0.20 0.78 -0.69 0.00 0.00 178.15 178.11 1sfj h ASN 25 N 0.58 0.00 0.91 1.72 4.21 -0.97 -1.80 115.58 120.23 1sfj h ASN 25 Ca 0.16 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.67 1sfj h ASN 25 Cb 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1sfj h ASN 25 CO -0.03 0.20 0.00 1.41 -1.29 0.00 0.00 177.43 177.72 1sfj n HIS 26 N -3.54 0.55 -0.29 1.19 8.25 -0.10 -3.20 115.22 118.09 1sfj n HIS 26 Ca -0.01 0.19 0.01 0.00 -0.26 0.00 0.00 57.72 57.65 1sfj n HIS 26 Cb 0.35 -0.81 0.02 0.00 1.12 0.00 0.00 29.99 30.67 1sfj n HIS 26 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1sfj n ARG 27 N -1.98 2.38 0.02 -0.41 1.74 -0.74 -4.83 116.66 112.85 1sfj n ARG 27 Ca 0.04 -1.51 0.21 0.00 -0.77 0.00 0.00 57.85 55.82 1sfj n ARG 27 Cb 0.28 -0.99 0.56 0.00 -1.02 0.00 0.00 32.46 31.29 1sfj n ARG 27 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1sfj h ILE 28 N 0.48 0.14 -0.01 0.55 2.10 -1.36 0.62 117.51 120.03 1sfj h ILE 28 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1sfj h ILE 28 Cb 0.64 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1sfj h ILE 28 CO 0.00 0.00 -0.32 -0.90 -1.08 0.00 0.00 178.15 175.85 1sfj n ASP 29 N -3.30 0.86 -0.00 2.19 5.75 -1.26 -3.67 116.55 117.12 1sfj n ASP 29 Ca 0.12 -0.70 0.06 0.00 -0.01 0.00 0.00 54.79 54.26 1sfj n ASP 29 Cb 1.00 0.16 -0.07 0.00 -1.03 0.00 0.00 41.12 41.18 1sfj n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sfj n ALA 30 N -0.90 3.63 -2.88 2.12 0.00 0.21 -4.94 120.51 117.76 1sfj n ALA 30 Ca 0.10 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.80 1sfj n ALA 30 Cb 0.34 -0.46 -0.12 0.00 0.00 0.00 0.00 19.45 19.22 1sfj n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sfj s ILE 31 N -2.20 4.60 -0.17 0.00 -1.09 -0.98 -4.65 121.20 116.71 1sfj s ILE 31 Ca 0.05 -0.38 0.14 0.00 -2.23 0.00 0.00 60.65 58.23 1sfj s ILE 31 Cb 0.10 -3.33 -0.24 0.00 -1.58 0.00 0.00 42.46 37.41 1sfj s ILE 31 CO 0.52 0.10 0.19 0.47 -1.23 0.00 0.00 174.94 174.99 1sfj n ASP 32 N 4.98 0.54 -3.82 3.58 8.00 -0.54 -4.72 116.55 124.57 1sfj n ASP 32 Ca -0.14 0.09 -0.16 0.00 0.71 0.00 0.00 54.79 55.30 1sfj n ASP 32 Cb 0.49 0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 41.93 1sfj n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sfj s VAL 33 N -2.52 0.09 -0.27 2.53 1.01 -0.88 -2.19 120.40 118.17 1sfj s VAL 33 Ca -0.12 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1sfj s VAL 33 Cb 0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 1sfj s VAL 33 CO 0.80 0.10 0.18 -0.22 0.00 0.00 0.00 175.10 175.96 1sfj s LEU 34 N 0.81 3.99 -0.48 3.92 2.96 -0.34 -0.34 118.68 129.20 1sfj s LEU 34 Ca -0.08 -0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 53.68 1sfj s LEU 34 Cb -0.11 -2.10 0.08 0.00 0.50 0.00 0.00 46.19 44.56 1sfj s LEU 34 CO -0.02 -0.03 0.40 -0.70 -1.32 0.00 0.00 176.35 174.68 1sfj s GLU 35 N 1.63 2.93 -0.69 1.98 2.12 0.22 -0.98 118.70 125.92 1sfj s GLU 35 Ca 0.07 -1.43 -0.22 0.00 0.36 0.00 0.00 54.97 53.75 1sfj s GLU 35 Cb -0.16 -4.12 0.08 0.00 0.26 0.00 0.00 34.13 30.19 1sfj s GLU 35 CO 0.09 -1.07 0.98 -1.17 -0.54 0.00 0.00 175.26 173.55 1sfj s LEU 36 N 1.61 4.46 0.52 2.70 2.96 0.12 -1.25 118.68 129.80 1sfj s LEU 36 Ca 0.04 -1.11 -0.19 0.00 -0.22 0.00 0.00 54.13 52.65 1sfj s LEU 36 Cb -0.25 -2.42 -0.07 0.00 0.50 0.00 0.00 46.19 43.96 1sfj s LEU 36 CO 0.05 -1.40 1.07 -0.13 -1.32 0.00 0.00 176.35 174.62 1sfj s ARG 37 N 3.91 3.57 0.00 1.98 1.81 -0.30 -1.53 118.95 128.40 1sfj s ARG 37 Ca 0.23 1.42 0.00 0.00 -1.72 0.00 0.00 55.73 55.66 1sfj s ARG 37 Cb -0.16 -2.05 0.00 0.00 -0.45 0.00 0.00 34.95 32.29 1sfj s ARG 37 CO 0.08 -0.63 0.06 0.44 -0.68 0.00 0.00 175.30 174.57 1sfj n ILE 38 N -1.24 0.00 0.29 1.52 -5.35 -0.24 -4.63 119.36 109.70 1sfj n ILE 38 Ca 0.10 -0.07 0.14 0.00 -0.27 0.00 0.00 62.75 62.65 1sfj n ILE 38 Cb 0.52 1.73 0.66 0.00 -1.74 0.00 0.00 39.64 40.81 1sfj n ILE 38 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1sfj h ASP 39 N 0.00 0.00 -0.06 7.28 2.03 -1.85 -2.30 116.42 121.52 1sfj h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1sfj h ASP 39 Cb 0.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 1sfj h ASP 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1sfj n GLN 40 N -2.49 1.27 -3.88 4.15 0.00 -1.26 -3.32 117.38 111.85 1sfj n GLN 40 Ca -0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 57.00 56.38 1sfj n GLN 40 Cb 0.15 -1.35 -0.14 0.00 0.00 0.00 0.00 30.24 28.90 1sfj n GLN 40 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1sfj s PHE 41 N -1.48 3.05 -0.11 2.61 2.99 -0.87 -4.98 117.98 119.20 1sfj s PHE 41 Ca 0.05 -1.14 -0.30 0.00 0.00 0.00 0.00 56.93 55.54 1sfj s PHE 41 Cb 0.03 -2.14 -0.03 0.00 0.00 0.00 0.00 43.02 40.88 1sfj s PHE 41 CO 0.02 -0.61 1.34 -2.00 -0.00 0.00 0.00 175.22 173.97 1sfj s GLU 42 N 1.44 4.24 -1.10 0.44 2.12 -1.26 -2.60 118.70 121.99 1sfj s GLU 42 Ca 0.03 1.79 -0.01 0.00 0.36 0.00 0.00 54.97 57.14 1sfj s GLU 42 Cb -0.16 -3.76 0.00 0.00 0.26 0.00 0.00 34.13 30.48 1sfj s GLU 42 CO -0.02 -0.68 0.18 0.09 -0.54 0.00 0.00 175.26 174.29 1sfj n ASN 43 N 6.38 -4.36 -4.69 -1.70 3.02 -1.26 -4.95 115.26 107.71 1sfj n ASN 43 Ca 0.14 -0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 1sfj n ASN 43 Cb 0.44 -3.40 0.01 0.00 -0.61 0.00 0.00 39.78 36.23 1sfj n ASN 43 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1sfj n VAL 44 N -4.04 2.60 -4.33 2.41 3.14 -1.07 -5.00 118.33 112.05 1sfj n VAL 44 Ca -0.12 -0.50 -0.19 0.00 -2.96 0.00 0.00 64.34 60.57 1sfj n VAL 44 Cb 0.60 -1.49 -0.10 0.00 -1.06 0.00 0.00 33.84 31.79 1sfj n VAL 44 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1sfj s THR 45 N -1.22 1.69 0.42 1.55 -4.23 -1.26 -5.03 115.64 107.56 1sfj s THR 45 Ca 0.62 -2.08 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1sfj s THR 45 Cb -0.51 -1.93 0.27 0.00 1.34 0.00 0.00 72.50 71.67 1sfj s THR 45 CO 0.57 -0.52 2.05 0.58 -0.54 0.00 0.00 174.62 176.77 1sfj h VAL 46 N 2.84 1.08 -0.34 2.29 2.07 -1.94 -1.67 116.25 120.57 1sfj h VAL 46 Ca -0.39 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1sfj h VAL 46 Cb 1.21 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1sfj h VAL 46 CO 0.58 0.09 0.02 0.44 0.02 0.00 0.00 177.57 178.73 1sfj h ASP 47 N 0.52 0.57 -0.51 0.57 5.19 -1.97 -1.22 116.42 119.56 1sfj h ASP 47 Ca 0.16 -0.29 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1sfj h ASP 47 Cb 0.01 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.34 1sfj h ASP 47 CO -0.04 0.72 0.33 1.56 -3.12 0.00 0.00 179.24 178.70 1sfj h GLN 48 N 0.40 0.66 -0.34 3.56 4.20 -1.79 -2.24 115.11 119.56 1sfj h GLN 48 Ca 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1sfj h GLN 48 Cb 0.41 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1sfj h GLN 48 CO 0.01 0.44 0.17 0.28 -0.67 0.00 0.00 178.83 179.06 1sfj h VAL 49 N 0.68 1.15 -0.69 -0.54 2.07 -1.19 -2.45 116.25 115.29 1sfj h VAL 49 Ca 0.19 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1sfj h VAL 49 Cb -0.07 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1sfj h VAL 49 CO -0.05 0.16 0.45 0.00 0.02 0.00 0.00 177.57 178.16 1sfj h ALA 50 N 1.03 1.74 -0.42 1.67 0.00 -0.97 0.11 119.26 122.42 1sfj h ALA 50 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1sfj h ALA 50 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1sfj h ALA 50 CO -0.02 0.15 -0.26 0.93 0.00 0.00 0.00 179.25 180.06 1sfj h GLU 51 N 0.70 0.87 -0.46 0.00 5.08 -1.10 -1.96 114.58 117.71 1sfj h GLU 51 Ca 0.30 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1sfj h GLU 51 Cb 0.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1sfj h GLU 51 CO -0.10 1.03 -0.04 0.52 -1.00 0.00 0.00 179.01 179.42 1sfj h MET 52 N 0.75 0.84 0.13 2.33 2.86 -0.69 -1.78 114.93 119.38 1sfj h MET 52 Ca 0.09 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1sfj h MET 52 Cb 0.81 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1sfj h MET 52 CO 0.07 0.92 -0.11 0.82 1.06 0.00 0.00 176.91 179.66 1sfj h ILE 53 N 0.69 0.76 -0.77 -1.22 1.08 -0.71 -1.49 117.51 115.85 1sfj h ILE 53 Ca 0.13 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.70 1sfj h ILE 53 Cb 0.56 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 1sfj h ILE 53 CO 0.03 0.00 0.51 0.71 -0.69 0.00 0.00 178.15 178.71 1sfj h THR 54 N -0.26 0.93 0.00 -0.27 1.35 -1.32 0.56 112.91 113.90 1sfj h THR 54 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1sfj h THR 54 Cb 0.24 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1sfj h THR 54 CO -0.01 0.12 0.00 1.17 -0.25 0.00 0.00 175.52 176.55 1sfj n LYS 55 N -4.50 0.06 -3.96 4.72 0.00 -0.58 -5.00 118.16 108.90 1sfj n LYS 55 Ca 0.13 0.27 -0.27 0.00 0.00 0.00 0.00 58.31 58.44 1sfj n LYS 55 Cb 0.34 -1.50 -0.17 0.00 0.00 0.00 0.00 35.03 33.70 1sfj n LYS 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1sfj s LEU 56 N -2.65 1.25 0.00 3.14 1.43 0.19 -5.07 118.68 116.97 1sfj s LEU 56 Ca 0.04 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1sfj s LEU 56 Cb 0.03 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1sfj s LEU 56 CO 0.08 -0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.55 1sfj n GLN 60 N 4.85 0.00 0.00 1.70 -0.00 -1.26 -5.04 117.38 117.63 1sfj n GLN 60 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.87 1sfj n GLN 60 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.74 1sfj n GLN 60 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1sfj n ASP 61 N -0.79 0.00 0.12 2.61 5.68 -1.26 -4.96 116.55 117.95 1sfj n ASP 61 Ca 0.00 -0.22 0.12 0.00 -0.50 0.00 0.00 54.79 54.19 1sfj n ASP 61 Cb 0.00 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.45 1sfj n ASP 61 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1sfj n SER 62 N 0.00 0.67 -3.78 -1.12 7.64 -1.26 -4.87 113.62 110.90 1sfj n SER 62 Ca 0.00 0.64 -0.10 0.00 1.01 0.00 0.00 58.87 60.42 1sfj n SER 62 Cb 0.05 -0.79 -0.07 0.00 -1.01 0.00 0.00 64.21 62.40 1sfj n SER 62 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1sfj s PHE 63 N -3.25 -0.00 0.52 1.43 -0.71 -1.26 -4.86 117.98 109.84 1sfj s PHE 63 Ca 0.06 -0.32 -0.18 0.00 -1.04 0.00 0.00 56.93 55.46 1sfj s PHE 63 Cb 0.10 0.06 -0.07 0.00 -1.21 0.00 0.00 43.02 41.90 1sfj s PHE 63 CO 0.44 -0.56 1.02 0.15 -1.34 0.00 0.00 175.22 174.93 1sfj s LYS 64 N -3.43 3.75 -0.21 1.99 1.02 -0.93 -4.87 119.74 117.06 1sfj s LYS 64 Ca 0.01 1.17 -0.05 0.00 0.02 0.00 0.00 55.97 57.13 1sfj s LYS 64 Cb 0.02 -2.10 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 1sfj s LYS 64 CO -0.09 -0.45 -0.00 -1.17 -0.92 0.00 0.00 175.35 172.71 1sfj s LEU 65 N -3.91 3.18 -0.17 3.17 1.98 -1.26 -1.19 118.68 120.48 1sfj s LEU 65 Ca 0.63 -0.25 0.01 0.00 -2.89 0.00 0.00 54.13 51.63 1sfj s LEU 65 Cb -0.14 -1.81 0.01 0.00 0.66 0.00 0.00 46.19 44.92 1sfj s LEU 65 CO 0.27 0.03 -0.19 -0.22 -1.89 0.00 0.00 176.35 174.36 1sfj s LEU 66 N 1.17 2.21 -0.18 -0.68 2.96 -0.15 -0.78 118.68 123.23 1sfj s LEU 66 Ca 0.03 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.27 1sfj s LEU 66 Cb -0.14 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1sfj s LEU 66 CO 0.01 0.04 0.06 -0.69 -1.32 0.00 0.00 176.35 174.45 1sfj s VAL 67 N 1.09 4.79 -0.08 1.68 1.01 -0.39 0.14 120.40 128.63 1sfj s VAL 67 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1sfj s VAL 67 Cb -0.14 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.11 1sfj s VAL 67 CO -0.07 0.46 -0.03 -0.89 0.00 0.00 0.00 175.10 174.57 1sfj s THR 68 N 0.38 0.57 -0.44 3.92 2.01 -0.58 -2.32 115.64 119.18 1sfj s THR 68 Ca 0.03 -0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.91 1sfj s THR 68 Cb -0.12 -0.67 0.09 0.00 0.01 0.00 0.00 72.50 71.81 1sfj s THR 68 CO 0.00 0.28 0.30 -0.47 -0.69 0.00 0.00 174.62 174.05 1sfj s TYR 69 N 1.75 3.36 -0.32 4.92 6.14 -1.26 -1.08 117.35 130.85 1sfj s TYR 69 Ca 0.03 -1.60 -0.18 0.00 0.64 0.00 0.00 57.07 55.96 1sfj s TYR 69 Cb -0.13 -3.16 -0.01 0.00 0.42 0.00 0.00 41.96 39.08 1sfj s TYR 69 CO -0.05 -0.90 0.50 0.50 0.64 0.00 0.00 175.55 176.24 1sfj s ARG 70 N 1.42 3.74 0.53 4.97 6.06 -1.26 -4.91 118.95 129.51 1sfj s ARG 70 Ca 0.04 -0.05 -0.19 0.00 -2.50 0.00 0.00 55.73 53.03 1sfj s ARG 70 Cb -0.24 -3.76 -0.06 0.00 0.06 0.00 0.00 34.95 30.94 1sfj s ARG 70 CO 0.01 -0.55 1.08 0.95 -2.50 0.00 0.00 175.30 174.29 1sfj s THR 71 N 2.34 3.55 0.37 4.11 -4.23 -1.26 -1.72 115.64 118.80 1sfj s THR 71 Ca 0.19 0.91 0.04 0.00 -1.18 0.00 0.00 61.69 61.64 1sfj s THR 71 Cb -0.16 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.59 1sfj s THR 71 CO 0.12 -0.26 2.01 0.07 -0.54 0.00 0.00 174.62 176.02 1sfj h LYS 72 N 1.16 0.76 0.00 3.99 2.10 -0.94 0.22 116.57 123.86 1sfj h LYS 72 Ca -0.49 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 1sfj h LYS 72 Cb 1.24 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1sfj h LYS 72 CO 0.58 0.50 0.00 -0.11 -2.00 0.00 0.00 179.45 178.42 1sfj n LEU 73 N -4.45 0.15 -0.57 7.07 -0.00 -1.26 -0.89 117.00 117.05 1sfj n LEU 73 Ca 0.06 0.57 0.06 0.00 -0.00 0.00 0.00 56.01 56.71 1sfj n LEU 73 Cb 0.08 -0.58 0.16 0.00 -0.00 0.00 0.00 43.42 43.07 1sfj n LEU 73 CO 0.35 -0.59 0.37 0.00 -0.00 0.00 0.00 177.39 177.52 1sfj n GLN 74 N -1.70 1.24 -0.58 1.96 1.13 -0.02 -4.95 117.38 114.45 1sfj n GLN 74 Ca -0.00 -2.85 0.00 0.00 -1.94 0.00 0.00 57.00 52.21 1sfj n GLN 74 Cb 0.03 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1sfj n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sfj n GLY 75 N -0.94 0.74 0.00 1.08 0.00 -0.06 -4.83 105.19 101.17 1sfj n GLY 75 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1sfj n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfj n GLY 76 N -2.33 1.59 0.01 -0.02 0.00 0.57 -4.91 105.19 100.09 1sfj n GLY 76 Ca 0.00 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 44.04 1sfj n GLY 76 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sfj n TYR 77 N -0.78 0.00 -1.68 1.61 4.01 -0.97 -3.46 117.16 115.89 1sfj n TYR 77 Ca 0.00 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.25 1sfj n TYR 77 Cb 0.00 -0.32 -0.05 0.00 -0.31 0.00 0.00 39.34 38.66 1sfj n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sfj n GLY 78 N 1.67 1.42 0.66 2.72 0.00 -0.70 -4.56 105.19 106.40 1sfj n GLY 78 Ca -0.02 0.87 0.09 0.00 0.00 0.00 0.00 46.02 46.95 1sfj n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sfj n GLN 79 N 6.71 1.52 -1.66 1.61 6.02 -1.26 -0.69 117.38 129.62 1sfj n GLN 79 Ca 0.23 -1.45 -0.43 0.00 -0.01 0.00 0.00 57.00 55.34 1sfj n GLN 79 Cb 0.29 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 1sfj n GLN 79 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1sfj n PHE 80 N 0.82 1.97 -0.53 1.08 0.99 -1.26 -4.94 117.46 115.58 1sfj n PHE 80 Ca 0.10 0.59 -0.28 0.00 -0.00 0.00 0.00 57.45 57.86 1sfj n PHE 80 Cb 0.43 -2.37 0.20 0.00 -1.00 0.00 0.00 39.48 36.75 1sfj n PHE 80 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1sfj n THR 81 N 0.38 0.00 0.23 4.37 -1.04 -1.26 -4.60 114.28 112.36 1sfj n THR 81 Ca 0.06 -0.23 0.11 0.00 -2.04 0.00 0.00 64.05 61.95 1sfj n THR 81 Cb 0.35 -0.70 0.51 0.00 -1.82 0.00 0.00 70.33 68.66 1sfj n THR 81 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1sfj h ASN 82 N -2.58 0.00 0.18 8.00 -1.24 -1.99 -1.48 115.58 116.47 1sfj h ASN 82 Ca -0.47 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.22 1sfj h ASN 82 Cb 1.21 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.28 1sfj h ASN 82 CO 0.33 0.20 -1.57 0.44 -1.29 0.00 0.00 177.43 175.53 1sfj h ASP 83 N 0.00 0.59 0.42 1.15 3.32 -1.99 -2.76 116.42 117.15 1sfj h ASP 83 Ca -0.00 -0.92 -0.06 0.00 0.02 0.00 0.00 57.03 56.07 1sfj h ASP 83 Cb 0.68 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1sfj h ASP 83 CO 0.03 1.72 -0.28 0.28 -1.72 0.00 0.00 179.24 179.26 1sfj h SER 84 N -0.02 0.00 0.43 6.45 0.02 -1.87 -1.78 113.55 116.78 1sfj h SER 84 Ca -0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1sfj h SER 84 Cb 2.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 1sfj h SER 84 CO 0.16 0.28 -0.21 0.22 -1.14 0.00 0.00 176.83 176.14 1sfj h TYR 85 N 0.00 -0.54 -0.43 3.45 3.20 -1.33 -1.43 116.97 119.89 1sfj h TYR 85 Ca -0.00 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.97 1sfj h TYR 85 Cb 0.56 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1sfj h TYR 85 CO 0.00 -0.33 0.31 -0.07 -1.64 0.00 0.00 178.16 176.42 1sfj h LEU 86 N -0.77 0.02 -0.32 2.82 3.38 -1.43 0.29 115.31 119.30 1sfj h LEU 86 Ca -0.06 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1sfj h LEU 86 Cb 0.44 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1sfj h LEU 86 CO 0.10 0.01 -0.85 0.78 0.09 0.00 0.00 178.44 178.57 1sfj h ASN 87 N 0.02 0.28 0.15 -0.43 -0.26 -1.34 -1.28 115.58 112.73 1sfj h ASN 87 Ca 0.20 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1sfj h ASN 87 Cb 0.79 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 1sfj h ASN 87 CO -0.01 1.00 -0.07 0.25 -1.06 0.00 0.00 177.43 177.54 1sfj h LEU 88 N 0.13 -0.17 -0.69 1.61 5.85 0.33 -0.01 115.31 122.35 1sfj h LEU 88 Ca -0.04 -0.33 0.12 0.00 0.84 0.00 0.00 57.88 58.46 1sfj h LEU 88 Cb 1.46 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.45 1sfj h LEU 88 CO 0.13 0.28 0.28 0.40 -0.34 0.00 0.00 178.44 179.19 1sfj h ILE 89 N -0.68 0.72 -0.30 4.05 1.08 -0.61 -1.59 117.51 120.18 1sfj h ILE 89 Ca -0.02 -0.15 -0.10 0.00 -0.39 0.00 0.00 64.86 64.19 1sfj h ILE 89 Cb 0.50 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1sfj h ILE 89 CO 0.03 0.08 -0.24 -1.28 -0.69 0.00 0.00 178.15 176.06 1sfj h SER 90 N 0.45 0.59 0.38 1.72 0.87 -1.18 -2.99 113.55 113.39 1sfj h SER 90 Ca 0.36 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1sfj h SER 90 Cb 0.49 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1sfj h SER 90 CO -0.35 0.81 -0.02 0.47 -0.53 0.00 0.00 176.83 177.21 1sfj n ASP 91 N -4.12 0.12 0.00 6.23 8.00 -0.03 -3.20 116.55 123.55 1sfj n ASP 91 Ca -0.00 -0.46 0.13 0.00 0.71 0.00 0.00 54.79 55.17 1sfj n ASP 91 Cb 0.41 -0.17 0.62 0.00 -0.02 0.00 0.00 41.12 41.96 1sfj n ASP 91 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sfj n LEU 92 N -1.13 0.00 0.20 0.64 4.77 -0.92 -3.09 117.00 117.47 1sfj n LEU 92 Ca 0.17 0.39 0.08 0.00 -0.03 0.00 0.00 56.01 56.62 1sfj n LEU 92 Cb 0.22 -0.39 0.29 0.00 -2.33 0.00 0.00 43.42 41.21 1sfj n LEU 92 CO 0.22 -0.04 0.70 0.00 -1.33 0.00 0.00 177.39 176.93 1sfj h ALA 93 N 3.08 0.91 0.00 -1.18 0.00 -1.73 -3.04 119.26 117.30 1sfj h ALA 93 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1sfj h ALA 93 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sfj h ALA 93 CO 0.00 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.70 1sfj n ASN 94 N -3.30 0.04 -4.52 0.00 3.02 -1.18 -4.61 115.26 104.71 1sfj n ASN 94 Ca 0.01 0.51 -0.43 0.00 -0.03 0.00 0.00 54.58 54.64 1sfj n ASN 94 Cb 0.54 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 1sfj n ASN 94 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sfj s ILE 95 N -3.01 4.59 0.50 2.41 1.01 -1.15 -4.92 121.20 120.62 1sfj s ILE 95 Ca 0.11 0.20 0.19 0.00 0.00 0.00 0.00 60.65 61.14 1sfj s ILE 95 Cb 0.15 -4.40 0.33 0.00 0.01 0.00 0.00 42.46 38.55 1sfj s ILE 95 CO 0.44 -0.89 2.04 -1.13 0.00 0.00 0.00 174.94 175.40 1sfj h ASN 96 N 9.12 0.12 0.66 3.58 -1.24 -1.88 -2.53 115.58 123.41 1sfj h ASN 96 Ca -0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.75 1sfj h ASN 96 Cb 1.08 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.11 1sfj h ASN 96 CO 1.01 0.08 0.00 0.61 -1.29 0.00 0.00 177.43 177.84 1sfj n GLY 97 N -1.57 -1.19 3.73 1.57 0.00 -1.26 -4.77 105.19 101.69 1sfj n GLY 97 Ca 0.06 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1sfj n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sfj s ILE 98 N -2.88 5.01 -0.19 -0.61 1.01 -0.96 -4.65 121.20 117.93 1sfj s ILE 98 Ca 0.14 1.39 0.10 0.00 0.00 0.00 0.00 60.65 62.27 1sfj s ILE 98 Cb 0.15 -4.01 -0.18 0.00 0.01 0.00 0.00 42.46 38.42 1sfj s ILE 98 CO 0.38 0.29 -0.04 0.47 0.00 0.00 0.00 174.94 176.05 1sfj n ASP 99 N 3.52 1.46 -3.95 3.58 8.00 -0.30 -4.89 116.55 123.97 1sfj n ASP 99 Ca -0.03 -0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.26 1sfj n ASP 99 Cb 0.51 0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 41.87 1sfj n ASP 99 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1sfj s MET 100 N -2.41 0.48 0.02 -1.24 -1.94 0.04 -1.64 119.30 112.61 1sfj s MET 100 Ca -0.17 -0.17 0.08 0.00 -1.71 0.00 0.00 55.69 53.72 1sfj s MET 100 Cb 0.06 -0.48 -0.02 0.00 2.01 0.00 0.00 34.83 36.39 1sfj s MET 100 CO 0.61 0.08 -0.23 0.42 -0.01 0.00 0.00 175.02 175.89 1sfj s ILE 101 N 0.06 1.83 -0.25 2.53 1.01 -0.62 -1.27 121.20 124.50 1sfj s ILE 101 Ca -0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 1sfj s ILE 101 Cb -0.04 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1sfj s ILE 101 CO -0.00 0.35 0.11 -0.62 0.00 0.00 0.00 174.94 174.77 1sfj s ASP 102 N -0.98 5.55 -0.11 3.58 -1.08 -0.98 -0.72 116.67 121.92 1sfj s ASP 102 Ca 0.09 -0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.08 1sfj s ASP 102 Cb -0.09 -2.00 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 1sfj s ASP 102 CO 0.01 0.01 -0.23 -0.51 0.52 0.00 0.00 175.17 174.97 1sfj s ILE 103 N 1.40 2.02 0.48 4.11 1.10 0.01 -4.53 121.20 125.79 1sfj s ILE 103 Ca 0.06 -0.98 -0.19 0.00 -0.51 0.00 0.00 60.65 59.03 1sfj s ILE 103 Cb -0.15 -1.76 -0.09 0.00 0.15 0.00 0.00 42.46 40.61 1sfj s ILE 103 CO 0.05 0.55 0.98 -1.61 -2.11 0.00 0.00 174.94 172.80 1sfj s GLU 104 N 0.54 4.00 0.04 3.50 2.02 -1.26 -1.19 118.70 126.34 1sfj s GLU 104 Ca -0.14 1.09 0.04 0.00 0.02 0.00 0.00 54.97 55.97 1sfj s GLU 104 Cb -0.17 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 1sfj s GLU 104 CO 0.05 -0.23 -0.11 -0.46 0.02 0.00 0.00 175.26 174.52 1sfj s TRP 105 N -2.36 0.99 0.14 1.61 -0.00 -0.03 -4.81 118.94 114.48 1sfj s TRP 105 Ca 0.61 -0.40 -0.24 0.00 -0.00 0.00 0.00 56.10 56.08 1sfj s TRP 105 Cb -0.11 -0.58 0.07 0.00 -0.00 0.00 0.00 33.47 32.85 1sfj s TRP 105 CO 0.23 0.00 0.63 1.14 -0.00 0.00 0.00 176.95 178.95 1sfj s GLN 106 N -1.34 1.24 0.25 5.86 -2.07 -1.26 -4.55 119.66 117.78 1sfj s GLN 106 Ca -0.03 -0.43 -0.07 0.00 -1.82 0.00 0.00 55.36 53.01 1sfj s GLN 106 Cb -0.09 0.57 0.43 0.00 -1.09 0.00 0.00 33.01 32.84 1sfj s GLN 106 CO 0.01 -0.54 1.63 0.00 -1.32 0.00 0.00 175.29 175.08 1sfj h ALA 107 N 2.03 0.77 -0.10 2.60 0.00 -2.02 -2.78 119.26 119.76 1sfj h ALA 107 Ca -0.33 0.25 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1sfj h ALA 107 Cb 1.30 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 19.45 1sfj h ALA 107 CO 0.37 -0.43 0.48 -0.40 0.00 0.00 0.00 179.25 179.27 1sfj n ASP 108 N -5.36 6.07 -4.70 0.00 5.68 -1.26 -4.92 116.55 112.06 1sfj n ASP 108 Ca 0.14 -2.63 -0.33 0.00 -0.50 0.00 0.00 54.79 51.47 1sfj n ASP 108 Cb 0.47 -1.41 -0.09 0.00 -1.14 0.00 0.00 41.12 38.96 1sfj n ASP 108 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1sfj s ILE 109 N 0.61 4.30 -1.06 2.12 1.10 -1.05 -5.02 121.20 122.19 1sfj s ILE 109 Ca 0.66 -0.51 -0.22 0.00 -0.51 0.00 0.00 60.65 60.06 1sfj s ILE 109 Cb 0.30 -2.91 0.04 0.00 0.15 0.00 0.00 42.46 40.04 1sfj s ILE 109 CO -0.05 0.40 1.55 -0.62 -2.11 0.00 0.00 174.94 174.12 1sfj s ASP 110 N -1.51 6.40 0.17 4.50 3.68 -1.26 -4.86 116.67 123.79 1sfj s ASP 110 Ca 0.19 -1.54 -0.29 0.00 2.13 0.00 0.00 52.55 53.04 1sfj s ASP 110 Cb -0.12 -2.57 -0.03 0.00 -1.45 0.00 0.00 42.92 38.75 1sfj s ASP 110 CO 0.10 -1.60 1.54 0.40 0.13 0.00 0.00 175.17 175.74 1sfj h ILE 111 N 6.64 0.00 -0.34 4.11 2.04 -1.96 0.69 117.51 128.70 1sfj h ILE 111 Ca 0.23 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.16 1sfj h ILE 111 Cb 0.99 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1sfj h ILE 111 CO 1.41 0.00 -0.09 -0.33 0.00 0.00 0.00 178.15 179.14 1sfj h GLU 112 N -0.01 -0.01 -0.75 2.37 5.08 -2.00 -0.98 114.58 118.28 1sfj h GLU 112 Ca 0.18 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1sfj h GLU 112 Cb 0.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1sfj h GLU 112 CO -0.94 -0.01 0.49 -0.22 -1.00 0.00 0.00 179.01 177.34 1sfj h LYS 113 N -0.01 0.99 -0.16 2.33 3.64 -1.64 -2.39 116.57 119.34 1sfj h LYS 113 Ca 0.16 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1sfj h LYS 113 Cb 0.26 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1sfj h LYS 113 CO -0.35 0.66 0.06 0.45 -2.27 0.00 0.00 179.45 178.00 1sfj h HIS 114 N 1.02 0.25 -0.29 1.91 3.86 -0.35 -2.77 115.15 118.77 1sfj h HIS 114 Ca 0.27 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 1sfj h HIS 114 Cb -0.11 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1sfj h HIS 114 CO -0.02 0.32 0.19 0.37 0.86 0.00 0.00 177.93 179.65 1sfj h GLN 115 N 0.10 0.35 -0.44 2.45 5.75 -1.05 -1.27 115.11 121.00 1sfj h GLN 115 Ca 0.05 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 1sfj h GLN 115 Cb 0.18 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1sfj h GLN 115 CO -0.00 0.23 -0.01 -0.09 -2.65 0.00 0.00 178.83 176.31 1sfj h ARG 116 N 0.36 0.79 -0.33 1.69 2.43 -1.18 -0.25 114.38 117.89 1sfj h ARG 116 Ca 0.11 -0.26 -0.16 0.00 -0.81 0.00 0.00 59.98 58.86 1sfj h ARG 116 Cb 0.00 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1sfj h ARG 116 CO -0.02 0.86 -0.44 0.82 -1.51 0.00 0.00 179.97 179.68 1sfj h ILE 117 N 0.63 1.28 -0.40 1.20 2.04 -1.16 -1.88 117.51 119.22 1sfj h ILE 117 Ca 0.12 -1.62 -0.07 0.00 1.00 0.00 0.00 64.86 64.30 1sfj h ILE 117 Cb 0.51 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1sfj h ILE 117 CO 0.02 0.53 -0.03 0.40 0.00 0.00 0.00 178.15 179.08 1sfj h ILE 118 N 0.67 1.27 -0.72 -0.67 2.04 -1.15 -0.29 117.51 118.66 1sfj h ILE 118 Ca 0.04 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 1sfj h ILE 118 Cb 1.04 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1sfj h ILE 118 CO 0.10 0.36 0.32 0.74 0.00 0.00 0.00 178.15 179.67 1sfj h THR 119 N 0.55 1.24 0.25 -0.27 2.02 -1.06 -1.30 112.91 114.34 1sfj h THR 119 Ca 0.11 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.58 1sfj h THR 119 Cb 0.52 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1sfj h THR 119 CO 0.03 0.29 -0.35 -0.74 0.37 0.00 0.00 175.52 175.12 1sfj h HIS 120 N 1.02 -0.94 -0.82 3.16 -0.00 -1.01 0.13 115.15 116.69 1sfj h HIS 120 Ca 0.24 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.68 1sfj h HIS 120 Cb 0.16 0.38 -0.06 0.00 -0.00 0.00 0.00 27.41 27.90 1sfj h HIS 120 CO 0.01 -0.47 0.50 -0.07 -0.00 0.00 0.00 177.93 177.90 1sfj h LEU 121 N -0.66 0.79 -0.82 0.26 3.38 -0.87 -1.69 115.31 115.71 1sfj h LEU 121 Ca -0.00 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1sfj h LEU 121 Cb 0.63 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1sfj h LEU 121 CO -0.12 0.52 -0.39 1.56 0.09 0.00 0.00 178.44 180.10 1sfj h GLN 122 N 0.93 0.41 0.00 1.13 4.20 -0.90 -0.06 115.11 120.82 1sfj h GLN 122 Ca 0.35 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1sfj h GLN 122 Cb 0.14 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1sfj h GLN 122 CO -0.16 0.74 0.00 1.04 -0.67 0.00 0.00 178.83 179.78 1sfj n GLN 123 N -4.04 0.19 -0.80 1.46 6.02 0.43 -1.35 117.38 119.29 1sfj n GLN 123 Ca -0.01 0.35 0.07 0.00 -0.01 0.00 0.00 57.00 57.40 1sfj n GLN 123 Cb 0.49 -1.82 0.37 0.00 1.02 0.00 0.00 30.24 30.30 1sfj n GLN 123 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1sfj n TYR 124 N -2.16 1.85 -2.33 1.08 4.02 -0.77 -4.90 117.16 113.95 1sfj n TYR 124 Ca 0.03 -0.65 -0.14 0.00 -0.01 0.00 0.00 57.90 57.14 1sfj n TYR 124 Cb 0.27 -0.45 -0.00 0.00 -0.02 0.00 0.00 39.34 39.14 1sfj n TYR 124 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1sfj n ASN 125 N 0.62 -4.22 -4.51 7.72 5.03 -0.46 -5.02 115.26 114.42 1sfj n ASN 125 Ca 0.25 -0.04 -0.34 0.00 0.87 0.00 0.00 54.58 55.33 1sfj n ASN 125 Cb 1.09 -3.36 -0.12 0.00 -1.02 0.00 0.00 39.78 36.37 1sfj n ASN 125 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sfj s LYS 126 N -4.76 3.71 0.18 3.52 -0.14 -0.10 -4.95 119.74 117.20 1sfj s LYS 126 Ca 0.03 -0.50 -0.30 0.00 -1.36 0.00 0.00 55.97 53.84 1sfj s LYS 126 Cb -0.01 -2.96 -0.08 0.00 -1.68 0.00 0.00 37.83 33.10 1sfj s LYS 126 CO 0.03 0.23 1.07 -1.21 -0.76 0.00 0.00 175.35 174.71 1sfj s GLU 127 N 0.40 4.63 -0.12 1.68 2.02 -0.65 -3.52 118.70 123.13 1sfj s GLU 127 Ca -0.03 1.67 -0.03 0.00 0.02 0.00 0.00 54.97 56.60 1sfj s GLU 127 Cb -0.14 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 1sfj s GLU 127 CO 0.03 0.14 -0.01 0.08 0.02 0.00 0.00 175.26 175.52 1sfj s VAL 128 N -0.35 4.19 -0.35 2.63 1.01 -1.26 -1.58 120.40 124.68 1sfj s VAL 128 Ca 0.48 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1sfj s VAL 128 Cb -0.28 -2.81 0.09 0.00 0.00 0.00 0.00 36.38 33.38 1sfj s VAL 128 CO 0.34 0.54 0.09 -0.63 0.00 0.00 0.00 175.10 175.45 1sfj s ILE 129 N -0.23 2.92 -0.14 2.22 1.01 0.10 -1.52 121.20 125.57 1sfj s ILE 129 Ca 0.05 -1.89 -0.22 0.00 0.00 0.00 0.00 60.65 58.59 1sfj s ILE 129 Cb -0.12 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1sfj s ILE 129 CO 0.02 -0.46 0.68 -0.63 0.00 0.00 0.00 174.94 174.55 1sfj s ILE 130 N 1.12 5.02 0.18 2.92 1.01 -0.83 -0.81 121.20 129.81 1sfj s ILE 130 Ca 0.04 1.34 0.08 0.00 0.00 0.00 0.00 60.65 62.12 1sfj s ILE 130 Cb -0.21 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1sfj s ILE 130 CO -0.04 0.17 -0.17 -0.94 0.00 0.00 0.00 174.94 173.95 1sfj s SER 131 N 0.99 2.66 -0.04 3.58 1.04 -0.33 -1.02 113.70 120.57 1sfj s SER 131 Ca 0.33 -0.90 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 1sfj s SER 131 Cb -0.17 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.83 1sfj s SER 131 CO 0.14 -0.07 0.08 -2.28 0.98 0.00 0.00 173.24 172.09 1sfj s HIS 132 N -2.27 -0.05 -0.02 5.02 2.46 0.07 -0.85 115.29 119.65 1sfj s HIS 132 Ca 0.17 0.29 0.07 0.00 0.47 0.00 0.00 55.06 56.07 1sfj s HIS 132 Cb -0.05 -0.19 -0.02 0.00 -0.13 0.00 0.00 32.58 32.20 1sfj s HIS 132 CO 0.07 -0.13 -0.24 -1.01 -2.47 0.00 0.00 174.74 170.96 1sfj s HIS 133 N 1.20 2.18 -0.29 3.88 3.76 -1.26 -0.91 115.29 123.85 1sfj s HIS 133 Ca -0.08 -0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 54.37 1sfj s HIS 133 Cb -0.12 -1.40 0.10 0.00 1.11 0.00 0.00 32.58 32.26 1sfj s HIS 133 CO -0.04 -0.05 0.12 1.21 -0.85 0.00 0.00 174.74 175.13 1sfj s ASN 134 N -0.53 3.66 0.00 1.40 3.84 0.08 -4.95 114.94 118.44 1sfj s ASN 134 Ca 0.08 -1.38 0.28 0.00 0.21 0.00 0.00 52.86 52.06 1sfj s ASN 134 Cb -0.10 -0.49 1.09 0.00 -0.55 0.00 0.00 41.25 41.20 1sfj s ASN 134 CO -0.01 -0.43 1.78 0.49 -2.79 0.00 0.00 177.10 176.15 1sfj n PHE 135 N 5.14 0.00 -0.07 0.43 3.01 -1.26 -1.27 117.46 123.44 1sfj n PHE 135 Ca -0.05 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.24 1sfj n PHE 135 Cb 0.42 -0.24 -0.13 0.00 -0.01 0.00 0.00 39.48 39.52 1sfj n PHE 135 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1sfj h GLU 136 N 0.42 0.03 0.00 -1.08 3.07 -1.94 -3.43 114.58 111.65 1sfj h GLU 136 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1sfj h GLU 136 Cb 0.41 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1sfj h GLU 136 CO 0.00 1.02 0.00 -1.13 -1.40 0.00 0.00 179.01 177.50 1sfj n SER 137 N -4.50 0.00 -3.98 1.42 3.41 -1.25 -4.85 113.62 103.86 1sfj n SER 137 Ca -0.17 -0.78 -0.31 0.00 -0.26 0.00 0.00 58.87 57.34 1sfj n SER 137 Cb 0.58 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 1sfj n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sfj s THR 138 N -2.98 1.91 0.91 6.66 2.01 -0.67 -2.11 115.64 121.37 1sfj s THR 138 Ca 0.00 -1.77 -0.13 0.00 0.31 0.00 0.00 61.69 60.10 1sfj s THR 138 Cb 0.00 -2.24 0.05 0.00 0.01 0.00 0.00 72.50 70.31 1sfj s THR 138 CO 0.00 -0.33 0.58 -2.65 -0.69 0.00 0.00 174.62 171.53 1sfj n PRO 139 N 4.47 -0.21 -0.81 4.92 -0.02 -1.26 -4.91 135.00 137.19 1sfj n PRO 139 Ca -0.06 -0.01 -0.33 0.00 -2.02 0.00 0.00 63.50 61.09 1sfj n PRO 139 Cb 0.42 -1.96 0.13 0.00 -0.02 0.00 0.00 33.50 32.07 1sfj n PRO 139 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sfj n PRO 140 N -2.04 -0.28 -0.18 0.52 -0.02 -1.26 -4.52 135.00 127.22 1sfj n PRO 140 Ca 0.08 -0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 1sfj n PRO 140 Cb 0.53 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 1sfj n PRO 140 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sfj h LEU 141 N -1.56 -1.56 -1.07 2.45 6.46 -1.90 0.62 115.31 118.75 1sfj h LEU 141 Ca -0.44 0.22 0.24 0.00 -0.12 0.00 0.00 57.88 57.78 1sfj h LEU 141 Cb 1.28 0.66 -0.12 0.00 -0.73 0.00 0.00 40.66 41.75 1sfj h LEU 141 CO 0.38 -0.27 0.61 0.44 -0.62 0.00 0.00 178.44 178.97 1sfj h ASP 142 N -0.21 0.65 0.09 1.25 3.45 -1.97 0.02 116.42 119.71 1sfj h ASP 142 Ca 0.08 0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 1sfj h ASP 142 Cb 0.42 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 1sfj h ASP 142 CO -0.56 0.12 -0.05 -0.33 -1.57 0.00 0.00 179.24 176.86 1sfj h GLU 143 N 0.57 -0.12 -0.44 3.56 4.39 -1.25 -1.69 114.58 119.60 1sfj h GLU 143 Ca 0.63 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.43 1sfj h GLU 143 Cb 1.23 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.82 1sfj h GLU 143 CO -0.43 0.08 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.22 1sfj h LEU 144 N -0.31 -0.71 -1.27 1.33 3.38 0.32 0.53 115.31 118.58 1sfj h LEU 144 Ca -0.01 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1sfj h LEU 144 Cb 0.26 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1sfj h LEU 144 CO 0.02 -0.24 0.51 1.56 0.09 0.00 0.00 178.44 180.38 1sfj h GLN 145 N -0.12 0.95 -0.46 1.13 4.20 -1.15 -1.48 115.11 118.18 1sfj h GLN 145 Ca 0.21 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 1sfj h GLN 145 Cb 0.44 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1sfj h GLN 145 CO -0.51 0.63 0.03 0.35 -0.67 0.00 0.00 178.83 178.65 1sfj h PHE 146 N 0.98 0.85 -0.87 2.96 3.57 -0.13 0.21 116.94 124.51 1sfj h PHE 146 Ca 0.30 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1sfj h PHE 146 Cb -0.02 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 1sfj h PHE 146 CO -0.00 0.82 0.57 0.82 -2.23 0.00 0.00 178.31 178.29 1sfj h ILE 147 N 0.64 1.18 -0.42 1.41 1.08 0.02 -1.07 117.51 120.35 1sfj h ILE 147 Ca 0.13 -0.39 -0.10 0.00 -0.39 0.00 0.00 64.86 64.12 1sfj h ILE 147 Cb 0.46 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 1sfj h ILE 147 CO 0.02 0.21 -0.13 -0.26 -0.69 0.00 0.00 178.15 177.29 1sfj h PHE 148 N 1.14 0.86 -0.43 1.37 0.05 -1.03 -2.34 116.94 116.55 1sfj h PHE 148 Ca 0.33 -0.16 -0.03 0.00 3.82 0.00 0.00 57.97 61.93 1sfj h PHE 148 Cb -0.07 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 37.65 1sfj h PHE 148 CO -0.01 0.86 0.16 0.35 -0.18 0.00 0.00 178.31 179.49 1sfj h PHE 149 N 0.70 0.66 -0.22 -0.55 3.57 -0.10 -1.90 116.94 119.10 1sfj h PHE 149 Ca 0.11 -0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 1sfj h PHE 149 Cb 0.62 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1sfj h PHE 149 CO 0.03 0.58 -0.60 0.87 -2.23 0.00 0.00 178.31 176.96 1sfj h LYS 150 N 0.55 0.72 -0.69 1.11 1.57 -1.18 -3.04 116.57 115.62 1sfj h LYS 150 Ca 0.14 -0.49 -0.07 0.00 -1.87 0.00 0.00 60.65 58.36 1sfj h LYS 150 Cb 0.21 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1sfj h LYS 150 CO -0.01 1.11 0.14 0.52 -0.57 0.00 0.00 179.45 180.64 1sfj h MET 151 N 0.54 1.12 0.00 3.15 2.86 -1.34 -1.77 114.93 119.49 1sfj h MET 151 Ca -0.00 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1sfj h MET 151 Cb 1.19 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1sfj h MET 151 CO 0.12 1.00 0.00 0.00 1.06 0.00 0.00 176.91 179.10 1sfj n GLN 152 N -4.23 0.24 0.20 1.72 -0.00 -0.72 -2.60 117.38 111.98 1sfj n GLN 152 Ca 0.05 0.11 0.04 0.00 -0.00 0.00 0.00 57.00 57.20 1sfj n GLN 152 Cb 0.28 -1.50 0.44 0.00 -0.00 0.00 0.00 30.24 29.45 1sfj n GLN 152 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1sfj h LYS 153 N 0.00 0.02 0.00 2.61 1.79 -1.20 -1.64 116.57 118.16 1sfj h LYS 153 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1sfj h LYS 153 Cb 0.20 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1sfj h LYS 153 CO 0.00 0.27 0.00 1.19 -1.08 0.00 0.00 179.45 179.83 1sfj n PHE 154 N -4.23 0.00 -3.57 -1.35 3.01 -1.07 -4.94 117.46 105.31 1sfj n PHE 154 Ca -0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.22 1sfj n PHE 154 Cb 0.31 -0.08 0.05 0.00 -0.01 0.00 0.00 39.48 39.74 1sfj n PHE 154 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1sfj n ASN 155 N -1.08 -3.71 -4.18 4.37 4.13 -0.62 -4.92 115.26 109.24 1sfj n ASN 155 Ca 0.21 -0.84 -0.28 0.00 1.68 0.00 0.00 54.58 55.35 1sfj n ASN 155 Cb 0.15 -4.22 0.18 0.00 -1.54 0.00 0.00 39.78 34.34 1sfj n ASN 155 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1sfj s PRO 156 N -5.55 0.74 0.10 3.52 0.04 -1.26 -4.99 135.00 127.60 1sfj s PRO 156 Ca 0.25 -0.68 0.11 0.00 0.04 0.00 0.00 61.00 60.71 1sfj s PRO 156 Cb -0.06 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.35 1sfj s PRO 156 CO 0.80 -2.27 1.11 0.93 0.04 0.00 0.00 177.00 177.61 1sfj h GLU 157 N -1.43 0.00 -3.71 4.56 3.07 -1.64 -3.45 114.58 111.98 1sfj h GLU 157 Ca -0.42 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.23 1sfj h GLU 157 Cb 1.23 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.88 1sfj h GLU 157 CO 0.35 0.72 -0.68 0.71 -1.40 0.00 0.00 179.01 178.71 1sfj s TYR 158 N -2.74 0.03 -0.11 4.33 2.02 -0.77 -2.43 117.35 117.68 1sfj s TYR 158 Ca -0.00 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 1sfj s TYR 158 Cb 0.09 -0.03 -0.01 0.00 -0.40 0.00 0.00 41.96 41.61 1sfj s TYR 158 CO 0.81 -0.06 -0.18 0.14 -1.57 0.00 0.00 175.55 174.69 1sfj s VAL 159 N -0.34 2.65 -0.07 0.71 -7.23 -0.23 -1.97 120.40 113.91 1sfj s VAL 159 Ca -0.04 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1sfj s VAL 159 Cb -0.03 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.86 1sfj s VAL 159 CO -0.00 0.54 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.47 1sfj s LYS 160 N 0.24 1.69 -0.09 4.82 2.20 -0.19 0.10 119.74 128.51 1sfj s LYS 160 Ca -0.12 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1sfj s LYS 160 Cb -0.16 -1.44 0.03 0.00 -1.51 0.00 0.00 37.83 34.74 1sfj s LYS 160 CO 0.06 -0.02 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.83 1sfj s LEU 161 N 0.81 0.85 -0.14 5.43 2.96 -0.51 -0.75 118.68 127.34 1sfj s LEU 161 Ca -0.12 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1sfj s LEU 161 Cb -0.15 -0.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.92 1sfj s LEU 161 CO 0.02 -0.16 -0.18 0.00 -1.32 0.00 0.00 176.35 174.71 1sfj s ALA 162 N 1.85 2.40 0.15 5.97 0.00 -0.09 -1.06 121.76 130.98 1sfj s ALA 162 Ca 0.05 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1sfj s ALA 162 Cb -0.12 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1sfj s ALA 162 CO -0.06 0.06 -0.10 0.14 0.00 0.00 0.00 175.76 175.79 1sfj s VAL 163 N 0.67 1.17 -0.30 0.00 -7.23 -0.21 -0.74 120.40 113.77 1sfj s VAL 163 Ca -0.09 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 57.92 1sfj s VAL 163 Cb -0.16 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 1sfj s VAL 163 CO 0.02 -0.74 0.15 -0.32 -0.31 0.00 0.00 175.10 173.89 1sfj s MET 164 N -3.75 3.43 0.43 4.82 1.75 -0.40 -0.88 119.30 124.71 1sfj s MET 164 Ca 0.17 -0.66 -0.18 0.00 -1.25 0.00 0.00 55.69 53.77 1sfj s MET 164 Cb 0.03 -3.55 -0.09 0.00 2.84 0.00 0.00 34.83 34.05 1sfj s MET 164 CO 0.01 -0.37 0.91 -1.25 -0.65 0.00 0.00 175.02 173.66 1sfj s PRO 165 N 1.63 4.08 0.00 4.11 0.04 -1.26 -1.67 135.00 141.93 1sfj s PRO 165 Ca 0.05 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1sfj s PRO 165 Cb -0.17 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1sfj s PRO 165 CO 0.06 -0.06 0.02 0.72 0.04 0.00 0.00 177.00 177.78 1sfj n HIS 166 N -0.90 0.00 -3.82 0.56 8.25 -1.26 -4.97 115.22 113.08 1sfj n HIS 166 Ca 0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.43 1sfj n HIS 166 Cb 0.54 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.67 1sfj n HIS 166 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1sfj s ASN 167 N -0.90 0.08 0.25 0.41 2.20 -1.26 -5.05 114.94 110.68 1sfj s ASN 167 Ca 0.00 -1.20 -0.02 0.00 -0.94 0.00 0.00 52.86 50.70 1sfj s ASN 167 Cb 0.00 0.85 0.31 0.00 -2.00 0.00 0.00 41.25 40.41 1sfj s ASN 167 CO 0.00 -1.69 1.72 0.11 -2.94 0.00 0.00 177.10 174.30 1sfj h LYS 168 N 2.00 0.73 -0.44 3.55 1.57 -1.98 -2.93 116.57 119.07 1sfj h LYS 168 Ca -0.33 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.15 1sfj h LYS 168 Cb 1.25 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1sfj h LYS 168 CO 0.42 0.81 0.01 -0.91 -0.57 0.00 0.00 179.45 179.20 1sfj h ASN 169 N 0.66 0.68 -0.62 0.86 2.35 -1.98 -1.31 115.58 116.21 1sfj h ASN 169 Ca 0.11 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1sfj h ASN 169 Cb 0.57 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1sfj h ASN 169 CO 0.04 0.75 0.38 0.44 -1.65 0.00 0.00 177.43 177.38 1sfj h ASP 170 N 0.68 0.76 -0.19 5.81 3.32 -1.90 0.17 116.42 125.06 1sfj h ASP 170 Ca 0.14 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 1sfj h ASP 170 Cb 0.41 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1sfj h ASP 170 CO 0.02 0.59 -0.61 0.58 -1.72 0.00 0.00 179.24 178.09 1sfj h VAL 171 N 0.87 1.30 -0.37 -1.35 2.07 -1.35 -2.50 116.25 114.92 1sfj h VAL 171 Ca 0.23 -1.83 -0.09 0.00 0.82 0.00 0.00 66.70 65.83 1sfj h VAL 171 Cb -0.03 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1sfj h VAL 171 CO -0.04 0.58 -0.13 -0.07 0.02 0.00 0.00 177.57 177.92 1sfj h LEU 172 N 0.47 0.66 -0.27 2.57 3.38 -0.75 -1.58 115.31 119.79 1sfj h LEU 172 Ca -0.02 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1sfj h LEU 172 Cb 1.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1sfj h LEU 172 CO 0.13 0.82 -0.03 0.78 0.09 0.00 0.00 178.44 180.23 1sfj h ASN 173 N 0.61 0.49 -0.35 -0.43 -0.26 -0.67 0.30 115.58 115.27 1sfj h ASN 173 Ca 0.10 -0.34 0.04 0.00 -0.56 0.00 0.00 56.30 55.54 1sfj h ASN 173 Cb 0.58 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.67 1sfj h ASN 173 CO 0.04 0.71 0.13 0.25 -1.06 0.00 0.00 177.43 177.49 1sfj h LEU 174 N 0.26 0.15 -0.69 1.61 7.12 -1.25 0.29 115.31 122.80 1sfj h LEU 174 Ca 0.07 0.03 -0.04 0.00 0.13 0.00 0.00 57.88 58.07 1sfj h LEU 174 Cb 0.48 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.59 1sfj h LEU 174 CO 0.02 0.12 0.27 -0.07 -0.13 0.00 0.00 178.44 178.65 1sfj h LEU 175 N 0.28 0.96 -0.11 2.25 3.38 -1.11 -2.06 115.31 118.91 1sfj h LEU 175 Ca 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1sfj h LEU 175 Cb 0.12 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1sfj h LEU 175 CO -0.15 0.87 0.02 -0.61 0.09 0.00 0.00 178.44 178.66 1sfj h GLN 176 N 0.99 0.18 -0.51 1.13 5.75 0.28 -1.04 115.11 121.89 1sfj h GLN 176 Ca 0.23 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.74 1sfj h GLN 176 Cb 0.22 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.69 1sfj h GLN 176 CO -0.02 0.37 0.21 0.00 -2.65 0.00 0.00 178.83 176.74 1sfj h ALA 177 N 0.80 0.63 -0.60 3.38 0.00 -0.32 0.17 119.26 123.32 1sfj h ALA 177 Ca 0.03 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1sfj h ALA 177 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1sfj h ALA 177 CO 0.00 -0.17 -0.03 1.98 0.00 0.00 0.00 179.25 181.03 1sfj h MET 178 N 0.41 1.08 -0.48 0.00 1.85 -1.32 -0.92 114.93 115.54 1sfj h MET 178 Ca 0.24 -0.36 -0.12 0.00 -0.61 0.00 0.00 59.70 58.85 1sfj h MET 178 Cb 0.22 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.15 1sfj h MET 178 CO -0.22 1.06 -0.17 1.03 -0.40 0.00 0.00 176.91 178.22 1sfj h SER 179 N 0.97 0.97 -0.39 1.39 0.87 -0.50 -0.88 113.55 115.99 1sfj h SER 179 Ca 0.17 -0.38 -0.09 0.00 -1.23 0.00 0.00 61.79 60.25 1sfj h SER 179 Cb 0.59 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1sfj h SER 179 CO 0.04 1.14 -0.13 0.74 -0.53 0.00 0.00 176.83 178.08 1sfj h THR 180 N 0.81 1.28 -0.67 2.23 2.02 -0.58 -2.32 112.91 115.66 1sfj h THR 180 Ca 0.11 -1.23 0.07 0.00 0.77 0.00 0.00 66.41 66.13 1sfj h THR 180 Cb 0.74 1.27 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 1sfj h THR 180 CO 0.06 0.41 0.35 0.15 0.37 0.00 0.00 175.52 176.86 1sfj h PHE 181 N 0.57 0.64 -0.96 3.16 3.57 -1.01 -2.37 116.94 120.55 1sfj h PHE 181 Ca 0.09 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1sfj h PHE 181 Cb 0.66 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1sfj h PHE 181 CO 0.05 0.28 0.63 1.03 -2.23 0.00 0.00 178.31 178.07 1sfj h SER 182 N 0.64 1.06 1.08 0.41 0.87 -0.85 -0.74 113.55 116.02 1sfj h SER 182 Ca 0.31 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1sfj h SER 182 Cb 0.26 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1sfj h SER 182 CO -0.22 0.74 -0.10 0.44 -0.53 0.00 0.00 176.83 177.16 1sfj h ASP 183 N 1.24 0.00 0.00 6.23 3.32 -0.91 -3.40 116.42 122.90 1sfj h ASP 183 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1sfj h ASP 183 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1sfj h ASP 183 CO -0.11 0.10 -0.27 0.35 -1.72 0.00 0.00 179.24 177.58 1sfj n THR 184 N -3.21 0.75 -1.77 0.35 -2.24 -0.91 -5.06 114.28 102.19 1sfj n THR 184 Ca 0.01 0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.66 1sfj n THR 184 Cb 0.38 -1.65 0.03 0.00 -2.10 0.00 0.00 70.33 67.00 1sfj n THR 184 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1sfj s MET 185 N -1.80 3.32 -1.10 -0.78 -1.94 -0.33 -4.92 119.30 111.75 1sfj s MET 185 Ca -0.08 2.32 -0.02 0.00 -1.71 0.00 0.00 55.69 56.20 1sfj s MET 185 Cb 0.01 -2.40 0.28 0.00 2.01 0.00 0.00 34.83 34.73 1sfj s MET 185 CO 0.12 -1.08 1.94 -3.47 -0.01 0.00 0.00 175.02 172.52 1sfj n ASP 186 N -0.74 7.48 -3.61 3.03 2.03 -1.26 -4.82 116.55 118.66 1sfj n ASP 186 Ca 0.08 -3.56 -0.15 0.00 0.52 0.00 0.00 54.79 51.68 1sfj n ASP 186 Cb 0.44 -1.22 -0.07 0.00 -0.72 0.00 0.00 41.12 39.55 1sfj n ASP 186 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sfj s LYS 188 N -0.43 4.39 0.15 0.00 1.02 -1.02 -4.91 119.74 118.95 1sfj s LYS 188 Ca -0.06 1.69 0.10 0.00 0.02 0.00 0.00 55.97 57.72 1sfj s LYS 188 Cb -0.03 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1sfj s LYS 188 CO 0.05 0.02 -0.22 0.54 -0.92 0.00 0.00 175.35 174.82 1sfj s VAL 189 N -1.39 2.01 -0.11 3.17 0.11 -1.26 -1.07 120.40 121.87 1sfj s VAL 189 Ca 0.51 -1.82 -0.02 0.00 -2.93 0.00 0.00 61.98 57.73 1sfj s VAL 189 Cb -0.28 -1.87 0.04 0.00 -1.53 0.00 0.00 36.38 32.74 1sfj s VAL 189 CO 0.35 -0.12 0.01 -0.69 -3.33 0.00 0.00 175.10 171.33 1sfj s VAL 190 N -1.52 0.44 -0.14 2.04 1.01 0.11 -1.07 120.40 121.27 1sfj s VAL 190 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1sfj s VAL 190 Cb -0.08 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 1sfj s VAL 190 CO 0.07 0.12 -0.17 -0.83 0.00 0.00 0.00 175.10 174.29 1sfj s GLY 191 N 1.93 1.45 -0.08 4.51 0.00 -1.26 -1.42 107.32 112.45 1sfj s GLY 191 Ca 0.03 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1sfj s GLY 191 CO -0.06 -0.06 -0.07 -0.42 0.00 0.00 0.00 173.10 172.48 1sfj s ILE 192 N 0.68 0.87 -0.34 0.90 1.01 -0.22 -4.75 121.20 119.35 1sfj s ILE 192 Ca -0.08 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 1sfj s ILE 192 Cb -0.16 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.47 1sfj s ILE 192 CO 0.02 0.32 0.14 -0.55 0.00 0.00 0.00 174.94 174.86 1sfj s SER 193 N 1.21 5.43 0.98 3.58 0.15 -1.26 -1.04 113.70 122.75 1sfj s SER 193 Ca -0.05 -1.01 -0.13 0.00 0.70 0.00 0.00 55.95 55.45 1sfj s SER 193 Cb -0.14 -1.92 0.18 0.00 -1.71 0.00 0.00 66.02 62.42 1sfj s SER 193 CO -0.02 -0.32 1.12 -0.04 1.20 0.00 0.00 173.24 175.18 1sfj s MET 194 N 1.47 0.59 0.15 5.44 1.00 -0.06 -4.08 119.30 123.82 1sfj s MET 194 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 55.69 56.01 1sfj s MET 194 Cb -0.19 -1.77 0.00 0.00 0.00 0.00 0.00 34.83 32.87 1sfj s MET 194 CO 0.04 -2.57 0.00 -1.13 0.00 0.00 0.00 175.02 171.36 1sfj n SER 195 N -4.03 -2.96 -0.17 3.03 3.41 -0.30 -3.18 113.62 109.42 1sfj n SER 195 Ca 0.07 0.29 -0.02 0.00 -0.26 0.00 0.00 58.87 58.95 1sfj n SER 195 Cb 0.59 -1.56 0.20 0.00 -0.26 0.00 0.00 64.21 63.18 1sfj n SER 195 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1sfj h LYS 196 N -0.47 0.91 -0.80 4.33 3.64 -1.90 -1.89 116.57 120.39 1sfj h LYS 196 Ca -0.01 -0.13 0.16 0.00 -1.27 0.00 0.00 60.65 59.40 1sfj h LYS 196 Cb 0.46 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1sfj h LYS 196 CO 0.01 0.73 0.53 1.25 -2.27 0.00 0.00 179.45 179.70 1sfj h LEU 197 N 0.90 0.40 -2.29 5.20 6.46 -1.93 -1.57 115.31 122.49 1sfj h LEU 197 Ca 0.22 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1sfj h LEU 197 Cb 0.14 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1sfj h LEU 197 CO -0.02 0.20 0.00 0.61 -0.62 0.00 0.00 178.44 178.60 1sfj n GLY 198 N -1.52 1.82 0.44 3.75 0.00 -0.72 -4.60 105.19 104.35 1sfj n GLY 198 Ca 0.16 -0.70 0.25 0.00 0.00 0.00 0.00 46.02 45.72 1sfj n GLY 198 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sfj h LEU 199 N 3.95 0.28 -1.57 0.99 5.85 -1.12 -0.26 115.31 123.42 1sfj h LEU 199 Ca 0.00 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1sfj h LEU 199 Cb 0.89 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1sfj h LEU 199 CO 0.00 0.08 0.37 -0.29 -0.34 0.00 0.00 178.44 178.26 1sfj h ILE 200 N 0.26 0.99 -0.36 4.05 -0.00 -1.82 -0.04 117.51 120.60 1sfj h ILE 200 Ca 0.52 -0.18 -0.04 0.00 -0.00 0.00 0.00 64.86 65.15 1sfj h ILE 200 Cb 1.55 0.42 -0.02 0.00 -0.00 0.00 0.00 36.82 38.77 1sfj h ILE 200 CO -0.16 0.10 0.04 0.77 -0.00 0.00 0.00 178.15 178.90 1sfj h SER 201 N 0.53 0.50 0.30 2.19 4.64 -1.34 -0.14 113.55 120.23 1sfj h SER 201 Ca 0.24 -0.08 -0.27 0.00 -0.47 0.00 0.00 61.79 61.21 1sfj h SER 201 Cb 0.27 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1sfj h SER 201 CO -0.07 0.55 -1.13 0.03 -0.87 0.00 0.00 176.83 175.34 1sfj h ARG 202 N 0.53 0.48 0.16 4.77 3.08 -1.13 -2.82 114.38 119.45 1sfj h ARG 202 Ca 0.12 -0.62 -0.33 0.00 0.07 0.00 0.00 59.98 59.22 1sfj h ARG 202 Cb 0.28 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1sfj h ARG 202 CO 0.00 1.25 -1.65 1.79 -1.07 0.00 0.00 179.97 180.29 1sfj h THR 203 N 0.23 1.04 -0.59 2.04 1.35 -1.25 -3.33 112.91 112.39 1sfj h THR 203 Ca -0.14 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 1sfj h THR 203 Cb 1.79 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.98 1sfj h THR 203 CO 0.20 0.83 0.00 0.00 -0.25 0.00 0.00 175.52 176.31 1sfj n ALA 204 N -2.77 3.35 -0.30 6.62 0.00 -0.08 -4.18 120.51 123.16 1sfj n ALA 204 Ca -0.21 -1.61 0.09 0.00 0.00 0.00 0.00 53.44 51.71 1sfj n ALA 204 Cb 1.06 -1.06 0.22 0.00 0.00 0.00 0.00 19.45 19.67 1sfj n ALA 204 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1sfj h GLN 205 N 3.87 0.07 0.00 0.00 5.75 -1.61 0.21 115.11 123.40 1sfj h GLN 205 Ca 0.00 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1sfj h GLN 205 Cb 1.59 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.11 1sfj h GLN 205 CO 0.31 0.05 -0.21 0.78 -2.65 0.00 0.00 178.83 177.11 1sfj h GLY 206 N 0.07 0.00 1.39 2.39 0.00 -1.82 0.09 103.07 105.20 1sfj h GLY 206 Ca 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.76 1sfj h GLY 206 CO -0.79 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 173.65 1sfj h VAL 207 N 0.00 1.24 -0.83 4.60 2.07 -0.91 -3.01 116.25 119.41 1sfj h VAL 207 Ca -0.00 -1.01 -0.35 0.00 0.82 0.00 0.00 66.70 66.16 1sfj h VAL 207 Cb 0.51 0.93 -0.21 0.00 -1.52 0.00 0.00 31.29 31.00 1sfj h VAL 207 CO 0.03 0.35 0.43 0.49 0.02 0.00 0.00 177.57 178.88 1sfj n PHE 208 N -4.21 2.65 0.00 1.57 3.72 -1.10 -4.93 117.46 115.15 1sfj n PHE 208 Ca 0.02 -1.52 0.00 0.00 -0.05 0.00 0.00 57.45 55.90 1sfj n PHE 208 Cb 0.31 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 1sfj n PHE 208 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sfj n GLY 209 N -0.68 1.64 3.76 1.37 0.00 -1.14 -3.37 105.19 106.78 1sfj n GLY 209 Ca 0.49 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 1sfj n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sfj s GLY 210 N -2.04 2.90 -0.04 -0.02 0.00 0.00 -4.64 107.32 103.48 1sfj s GLY 210 Ca 0.00 1.38 0.21 0.00 0.00 0.00 0.00 44.72 46.30 1sfj s GLY 210 CO 0.00 1.93 0.43 0.00 0.00 0.00 0.00 173.10 175.46 1sfj n ALA 211 N -0.72 2.69 -2.87 3.20 0.00 -0.24 -4.14 120.51 118.43 1sfj n ALA 211 Ca 0.08 -0.54 -0.12 0.00 0.00 0.00 0.00 53.44 52.86 1sfj n ALA 211 Cb 0.44 -0.68 -0.12 0.00 0.00 0.00 0.00 19.45 19.09 1sfj n ALA 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sfj s LEU 212 N -4.50 2.15 -0.03 0.00 1.02 -1.26 -1.05 118.68 115.01 1sfj s LEU 212 Ca -0.08 -0.34 -0.00 0.00 0.02 0.00 0.00 54.13 53.73 1sfj s LEU 212 Cb 0.13 -0.09 0.03 0.00 0.02 0.00 0.00 46.19 46.28 1sfj s LEU 212 CO 0.86 -0.13 0.04 0.28 0.02 0.00 0.00 176.35 177.42 1sfj s THR 213 N -0.88 -0.06 -0.08 5.49 -1.32 -0.79 -4.73 115.64 113.26 1sfj s THR 213 Ca -0.07 0.23 -0.13 0.00 -1.21 0.00 0.00 61.69 60.50 1sfj s THR 213 Cb -0.07 -0.10 -0.05 0.00 -1.51 0.00 0.00 72.50 70.78 1sfj s THR 213 CO -0.00 0.09 0.33 -0.31 -2.21 0.00 0.00 174.62 172.52 1sfj s TYR 214 N 1.14 3.61 0.31 9.09 1.51 -1.26 -0.32 117.35 131.43 1sfj s TYR 214 Ca -0.08 0.78 0.05 0.00 -1.01 0.00 0.00 57.07 56.81 1sfj s TYR 214 Cb -0.13 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1sfj s TYR 214 CO -0.03 0.52 0.27 0.20 -1.11 0.00 0.00 175.55 175.39 1sfj s GLY 215 N -0.51 2.11 0.45 0.71 0.00 0.71 -4.61 107.32 106.17 1sfj s GLY 215 Ca 0.20 -1.97 0.05 0.00 0.00 0.00 0.00 44.72 43.01 1sfj s GLY 215 CO 0.09 -1.42 0.07 0.00 0.00 0.00 0.00 173.10 171.84 1sfj n ILE 217 N -1.17 1.38 0.00 0.00 -0.00 -1.26 -0.91 119.36 117.40 1sfj n ILE 217 Ca -0.08 -0.64 0.00 0.00 -0.00 0.00 0.00 62.75 62.03 1sfj n ILE 217 Cb 0.66 -1.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.26 1sfj n ILE 217 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1sfj n GLY 218 N 2.13 0.87 3.89 7.39 0.00 -1.26 -4.92 105.19 113.29 1sfj n GLY 218 Ca -0.39 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 1sfj n GLY 218 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sfj s GLU 219 N 0.48 3.71 0.21 1.61 2.56 -1.26 -4.85 118.70 121.16 1sfj s GLU 219 Ca 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 54.97 54.91 1sfj s GLU 219 Cb 0.00 -2.51 -0.11 0.00 2.00 0.00 0.00 34.13 33.51 1sfj s GLU 219 CO 0.00 0.09 1.61 -2.14 -0.56 0.00 0.00 175.26 174.26 1sfj s PRO 220 N -3.67 4.18 0.00 4.30 0.02 -1.26 -4.78 135.00 133.78 1sfj s PRO 220 Ca 0.48 2.47 0.28 0.00 0.02 0.00 0.00 61.00 64.25 1sfj s PRO 220 Cb -0.10 -3.10 0.97 0.00 0.02 0.00 0.00 34.50 32.28 1sfj s PRO 220 CO 0.30 -0.64 1.70 1.04 -0.33 0.00 0.00 177.00 179.06 1sfj n GLN 221 N 3.58 1.12 -3.49 5.54 1.13 -1.26 -4.89 117.38 119.11 1sfj n GLN 221 Ca 0.13 -0.61 -0.14 0.00 -1.94 0.00 0.00 57.00 54.45 1sfj n GLN 221 Cb 0.37 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.20 1sfj n GLN 221 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sfj s ALA 222 N -2.30 -1.73 -0.14 -1.58 0.00 -1.26 -5.09 121.76 109.66 1sfj s ALA 222 Ca 0.31 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 1sfj s ALA 222 Cb 0.20 0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.56 1sfj s ALA 222 CO 0.44 -0.55 2.13 -1.25 0.00 0.00 0.00 175.76 176.53 1sfj s PRO 223 N -2.34 3.45 0.00 0.00 0.04 -1.26 -2.31 135.00 132.58 1sfj s PRO 223 Ca -0.04 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1sfj s PRO 223 Cb -0.01 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1sfj s PRO 223 CO -0.01 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 175.70 1sfj n GLY 224 N 5.37 2.10 3.77 0.56 0.00 -1.26 -1.15 105.19 114.57 1sfj n GLY 224 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1sfj n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sfj s GLN 225 N -0.22 2.89 0.24 1.61 -0.21 -0.98 -4.88 119.66 118.11 1sfj s GLN 225 Ca 0.00 1.52 0.01 0.00 0.02 0.00 0.00 55.36 56.91 1sfj s GLN 225 Cb 0.00 -1.95 -0.05 0.00 1.00 0.00 0.00 33.01 32.01 1sfj s GLN 225 CO 0.00 -1.20 0.09 0.96 -2.12 0.00 0.00 175.29 173.02 1sfj s ILE 226 N -2.10 0.51 0.42 1.08 -4.36 -1.26 -4.73 121.20 110.75 1sfj s ILE 226 Ca 0.70 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.84 1sfj s ILE 226 Cb -0.23 -2.54 -0.10 0.00 1.25 0.00 0.00 42.46 40.84 1sfj s ILE 226 CO 0.37 -0.07 1.23 -0.67 0.24 0.00 0.00 174.94 176.05 1sfj n ASP 227 N -0.41 2.37 0.29 4.36 2.03 -1.26 -1.62 116.55 122.31 1sfj n ASP 227 Ca -0.01 1.10 0.15 0.00 0.52 0.00 0.00 54.79 56.56 1sfj n ASP 227 Cb 0.66 -1.48 0.88 0.00 -0.72 0.00 0.00 41.12 40.46 1sfj n ASP 227 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1sfj h VAL 228 N 2.02 0.43 -0.32 5.18 -1.51 -1.33 0.00 116.25 120.72 1sfj h VAL 228 Ca -0.47 -0.25 -0.17 0.00 -1.23 0.00 0.00 66.70 64.58 1sfj h VAL 228 Cb 1.30 1.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1sfj h VAL 228 CO 0.60 0.05 -0.48 0.74 -1.23 0.00 0.00 177.57 177.25 1sfj h THR 229 N 0.00 1.27 -0.01 7.19 2.02 -1.89 0.20 112.91 121.69 1sfj h THR 229 Ca -0.00 -1.66 -0.23 0.00 0.77 0.00 0.00 66.41 65.29 1sfj h THR 229 Cb 0.16 1.55 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1sfj h THR 229 CO 0.01 0.55 -0.94 0.44 0.37 0.00 0.00 175.52 175.94 1sfj h ASP 230 N 0.69 0.62 -0.38 4.18 3.32 -1.73 -1.99 116.42 121.13 1sfj h ASP 230 Ca 0.03 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 1sfj h ASP 230 Cb 1.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1sfj h ASP 230 CO 0.11 1.29 0.05 0.25 -1.72 0.00 0.00 179.24 179.21 1sfj h LEU 231 N 0.28 0.61 -0.49 1.55 5.85 -0.95 0.28 115.31 122.44 1sfj h LEU 231 Ca -0.09 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.43 1sfj h LEU 231 Cb 1.58 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.39 1sfj h LEU 231 CO 0.17 0.73 0.16 0.50 -0.34 0.00 0.00 178.44 179.66 1sfj h LYS 232 N 0.47 0.32 -0.47 1.25 1.63 -0.58 0.22 116.57 119.41 1sfj h LYS 232 Ca 0.11 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 1sfj h LYS 232 Cb 0.38 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1sfj h LYS 232 CO 0.01 0.21 0.06 0.00 -3.45 0.00 0.00 179.45 176.28 1sfj h ALA 233 N 1.33 1.23 -0.34 5.00 0.00 -0.80 -1.90 119.26 123.79 1sfj h ALA 233 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1sfj h ALA 233 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1sfj h ALA 233 CO -0.25 0.52 0.04 1.96 0.00 0.00 0.00 179.25 181.52 1sfj h GLN 234 N 0.70 0.57 0.00 0.00 1.08 0.12 -2.02 115.11 115.56 1sfj h GLN 234 Ca 0.15 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1sfj h GLN 234 Cb 0.34 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1sfj h GLN 234 CO 0.01 0.67 -0.12 0.28 -0.95 0.00 0.00 178.83 178.71 1sfj h VAL 235 N 0.39 0.61 0.00 -0.54 2.07 -0.41 -1.78 116.25 116.59 1sfj h VAL 235 Ca 0.10 -0.54 -0.14 0.00 0.82 0.00 0.00 66.70 66.94 1sfj h VAL 235 Cb 0.39 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1sfj h VAL 235 CO 0.01 0.12 -0.68 0.74 0.02 0.00 0.00 177.57 177.78 1sfj h THR 236 N 0.00 1.16 -0.11 2.57 2.02 -1.03 -3.29 112.91 114.23 1sfj h THR 236 Ca -0.00 -2.64 -0.22 0.00 0.77 0.00 0.00 66.41 64.32 1sfj h THR 236 Cb 0.33 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1sfj h THR 236 CO 0.02 0.66 -0.83 0.25 0.37 0.00 0.00 175.52 175.99 1sfj h LEU 237 N 0.00 0.84 -0.96 2.58 5.85 -0.60 -3.46 115.31 119.55 1sfj h LEU 237 Ca -0.01 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1sfj h LEU 237 Cb 1.52 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1sfj h LEU 237 CO 0.09 1.37 0.00 -1.22 -0.34 0.00 0.00 178.44 178.33