#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfj s VAL 4 N 0.00 4.88 -0.09 3.57 1.01 -1.26 -4.86 120.40 123.65 1sfj s VAL 4 Ca 0.00 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 1sfj s VAL 4 Cb 0.00 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1sfj s VAL 4 CO 0.00 0.26 0.30 -1.61 0.00 0.00 0.00 175.10 174.05 1sfj s GLU 5 N 0.58 3.92 -0.19 2.72 2.02 -0.55 -4.97 118.70 122.23 1sfj s GLU 5 Ca 0.42 0.16 -0.18 0.00 0.02 0.00 0.00 54.97 55.39 1sfj s GLU 5 Cb -0.20 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 1sfj s GLU 5 CO 0.23 0.55 0.51 0.08 0.02 0.00 0.00 175.26 176.64 1sfj s VAL 6 N -0.50 5.12 -0.13 2.63 1.01 -1.26 -1.50 120.40 125.77 1sfj s VAL 6 Ca 0.19 0.95 -0.04 0.00 0.00 0.00 0.00 61.98 63.08 1sfj s VAL 6 Cb -0.14 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1sfj s VAL 6 CO 0.08 0.20 0.01 -0.69 0.00 0.00 0.00 175.10 174.70 1sfj s VAL 7 N 1.46 4.32 -0.23 2.92 1.01 0.49 -1.79 120.40 128.58 1sfj s VAL 7 Ca 0.24 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 1sfj s VAL 7 Cb -0.15 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1sfj s VAL 7 CO 0.10 0.53 0.05 0.00 0.00 0.00 0.00 175.10 175.78 1sfj s ALA 8 N -0.16 3.16 -0.22 5.51 0.00 -0.47 -0.13 121.76 129.44 1sfj s ALA 8 Ca 0.05 -1.05 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 1sfj s ALA 8 Cb -0.13 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1sfj s ALA 8 CO 0.02 -0.33 0.37 0.99 0.00 0.00 0.00 175.76 176.81 1sfj s THR 9 N 1.32 5.21 0.20 0.00 2.01 -0.98 -0.87 115.64 122.54 1sfj s THR 9 Ca 0.05 0.63 0.09 0.00 0.31 0.00 0.00 61.69 62.77 1sfj s THR 9 Cb -0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1sfj s THR 9 CO 0.03 0.24 -0.18 0.27 -0.69 0.00 0.00 174.62 174.29 1sfj s ILE 10 N 1.45 1.96 -0.42 1.82 -4.36 -0.62 -4.36 121.20 116.67 1sfj s ILE 10 Ca 0.17 -2.10 0.05 0.00 -0.26 0.00 0.00 60.65 58.51 1sfj s ILE 10 Cb -0.15 -2.01 0.19 0.00 1.25 0.00 0.00 42.46 41.74 1sfj s ILE 10 CO 0.08 -0.40 0.43 0.41 0.24 0.00 0.00 174.94 175.70 1sfj n THR 11 N -0.07 -0.98 -0.02 8.37 -1.04 -1.26 -1.88 114.28 117.40 1sfj n THR 11 Ca -0.10 -3.27 0.00 0.00 -2.04 0.00 0.00 64.05 58.64 1sfj n THR 11 Cb 0.58 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 1sfj n THR 11 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1sfj n PRO 12 N 2.53 3.76 0.00 -2.82 -0.04 -1.26 -5.09 135.00 132.08 1sfj n PRO 12 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1sfj n PRO 12 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1sfj n PRO 12 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1sfj n GLN 13 N 0.00 0.00 0.00 0.54 1.13 -1.26 -4.94 117.38 112.85 1sfj n GLN 13 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1sfj n GLN 13 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 30.24 30.33 1sfj n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1sfj n GLU 18 N -2.30 0.00 0.24 -1.09 4.07 -1.26 -5.12 120.64 115.17 1sfj n GLU 18 Ca 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.25 1sfj n GLU 18 Cb 0.00 -0.61 0.82 0.00 -0.06 0.00 0.00 31.44 31.59 1sfj n GLU 18 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sfj h THR 19 N 0.00 0.60 0.00 6.31 1.03 -2.06 0.12 112.91 118.91 1sfj h THR 19 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.28 1sfj h THR 19 Cb 0.80 0.92 -0.02 0.00 -1.07 0.00 0.00 68.15 68.79 1sfj h THR 19 CO 0.00 0.00 -0.59 0.25 -0.01 0.00 0.00 175.52 175.17 1sfj h LEU 20 N 0.00 0.00 -0.60 0.00 6.46 -2.02 -2.30 115.31 116.85 1sfj h LEU 20 Ca 0.05 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.68 1sfj h LEU 20 Cb 0.25 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1sfj h LEU 20 CO -0.00 0.59 -0.63 0.40 -0.62 0.00 0.00 178.44 178.18 1sfj h ILE 21 N 0.00 1.34 -0.21 4.05 5.03 -1.23 -0.90 117.51 125.59 1sfj h ILE 21 Ca -0.01 -2.26 -0.02 0.00 -0.12 0.00 0.00 64.86 62.46 1sfj h ILE 21 Cb 1.18 2.26 -0.01 0.00 -3.03 0.00 0.00 36.82 37.22 1sfj h ILE 21 CO 0.08 0.62 0.05 -0.61 -0.68 0.00 0.00 178.15 177.61 1sfj h GLN 22 N 0.00 0.33 0.00 2.37 4.15 -0.93 -2.71 115.11 118.32 1sfj h GLN 22 Ca -0.01 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.21 1sfj h GLN 22 Cb 1.21 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1sfj h GLN 22 CO 0.08 0.45 -0.62 0.87 -1.93 0.00 0.00 178.83 177.68 1sfj h LYS 23 N 0.15 0.00 0.46 1.69 1.57 -1.26 -3.12 116.57 116.06 1sfj h LYS 23 Ca 0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1sfj h LYS 23 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1sfj h LYS 23 CO 0.00 0.62 -0.22 0.82 -0.57 0.00 0.00 179.45 180.10 1sfj h ILE 24 N 0.00 0.00 -0.08 1.86 1.08 -1.05 -2.97 117.51 116.34 1sfj h ILE 24 Ca -0.01 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1sfj h ILE 24 Cb 1.11 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1sfj h ILE 24 CO 0.08 0.00 0.45 0.78 -0.69 0.00 0.00 178.15 178.77 1sfj h ASN 25 N -0.90 0.00 -0.40 1.72 4.21 -1.59 0.78 115.58 119.40 1sfj h ASN 25 Ca -0.06 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.31 1sfj h ASN 25 Cb 0.47 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.66 1sfj h ASN 25 CO 0.10 0.00 -0.29 -0.74 -1.29 0.00 0.00 177.43 175.21 1sfj h HIS 26 N 0.00 1.09 -0.62 1.19 2.76 -1.46 -2.98 115.15 115.13 1sfj h HIS 26 Ca 0.04 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 1sfj h HIS 26 Cb 0.94 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1sfj h HIS 26 CO 0.00 1.10 0.00 0.54 -1.30 0.00 0.00 177.93 178.27 1sfj n ARG 27 N -4.09 4.16 -0.29 5.26 1.74 0.26 -4.65 116.66 119.05 1sfj n ARG 27 Ca -0.01 -3.00 0.27 0.00 -0.77 0.00 0.00 57.85 54.34 1sfj n ARG 27 Cb 0.49 -2.03 0.60 0.00 -1.02 0.00 0.00 32.46 30.50 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 4.02 0.51 0.00 0.55 -0.00 -1.08 0.18 117.51 121.70 1sfj h ILE 28 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 64.86 64.78 1sfj h ILE 28 Cb 1.65 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 38.73 1sfj h ILE 28 CO 0.33 0.04 -0.03 0.47 -0.00 0.00 0.00 178.15 178.96 1sfj n ASP 29 N -4.45 0.43 -0.43 2.19 8.00 -1.26 -3.06 116.55 117.98 1sfj n ASP 29 Ca 0.24 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.35 1sfj n ASP 29 Cb 0.97 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1sfj n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sfj n ALA 30 N -1.65 3.73 -3.22 2.24 0.00 0.61 -4.91 120.51 117.31 1sfj n ALA 30 Ca 0.06 -0.64 -0.36 0.00 0.00 0.00 0.00 53.44 52.50 1sfj n ALA 30 Cb 0.39 -0.79 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.55 3.95 -0.05 0.00 1.01 -0.98 -4.70 121.20 117.89 1sfj s ILE 31 Ca 0.17 -0.30 0.15 0.00 0.00 0.00 0.00 60.65 60.67 1sfj s ILE 31 Cb 0.18 -2.82 -0.23 0.00 0.01 0.00 0.00 42.46 39.60 1sfj s ILE 31 CO 0.61 0.38 0.28 0.47 0.00 0.00 0.00 174.94 176.68 1sfj n ASP 32 N 4.82 1.46 -3.70 3.58 8.00 -0.88 -4.58 116.55 125.24 1sfj n ASP 32 Ca -0.17 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.21 1sfj n ASP 32 Cb 0.51 1.53 -0.13 0.00 -0.02 0.00 0.00 41.12 43.02 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 -2.93 -0.18 -0.24 2.53 1.01 -0.74 -1.25 120.40 118.60 1sfj s VAL 33 Ca -0.06 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1sfj s VAL 33 Cb 0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1sfj s VAL 33 CO 0.63 0.08 0.12 -0.22 0.00 0.00 0.00 175.10 175.71 1sfj s LEU 34 N 1.70 3.78 -0.41 3.92 2.96 0.21 -1.37 118.68 129.47 1sfj s LEU 34 Ca -0.06 -0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 1sfj s LEU 34 Cb -0.11 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.62 1sfj s LEU 34 CO -0.09 0.02 0.27 -0.70 -1.32 0.00 0.00 176.35 174.53 1sfj s GLU 35 N 1.33 2.80 -0.78 1.98 2.12 -0.05 -0.17 118.70 125.94 1sfj s GLU 35 Ca 0.06 -1.26 -0.22 0.00 0.36 0.00 0.00 54.97 53.91 1sfj s GLU 35 Cb -0.15 -3.86 0.08 0.00 0.26 0.00 0.00 34.13 30.46 1sfj s GLU 35 CO 0.05 -0.86 1.10 -1.17 -0.54 0.00 0.00 175.26 173.85 1sfj s LEU 36 N 1.55 4.28 0.23 2.70 2.96 0.17 -1.60 118.68 128.97 1sfj s LEU 36 Ca 0.03 -1.23 -0.30 0.00 -0.22 0.00 0.00 54.13 52.42 1sfj s LEU 36 Cb -0.22 -2.45 -0.09 0.00 0.50 0.00 0.00 46.19 43.94 1sfj s LEU 36 CO 0.06 -1.41 1.17 -0.13 -1.32 0.00 0.00 176.35 174.72 1sfj s ARG 37 N 4.06 4.53 -0.00 1.98 1.81 -0.79 -1.95 118.95 128.59 1sfj s ARG 37 Ca 0.29 1.88 0.01 0.00 -1.72 0.00 0.00 55.73 56.19 1sfj s ARG 37 Cb -0.11 -3.21 -0.01 0.00 -0.45 0.00 0.00 34.95 31.17 1sfj s ARG 37 CO 0.04 -0.00 0.01 0.44 -0.68 0.00 0.00 175.30 175.11 1sfj n ILE 38 N 1.95 0.00 0.00 1.52 -5.35 -0.12 -4.60 119.36 112.75 1sfj n ILE 38 Ca 0.02 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1sfj n ILE 38 Cb 0.44 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1sfj n ILE 38 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1sfj n ASP 39 N -1.37 0.00 -1.36 7.28 5.75 -1.25 -1.75 116.55 123.84 1sfj n ASP 39 Ca -0.00 0.03 0.08 0.00 -0.01 0.00 0.00 54.79 54.88 1sfj n ASP 39 Cb 0.01 -0.03 0.30 0.00 -1.03 0.00 0.00 41.12 40.37 1sfj n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sfj n GLN 40 N -0.94 3.27 -5.25 0.11 0.00 -1.26 -3.38 117.38 109.93 1sfj n GLN 40 Ca 0.00 -2.34 -0.31 0.00 0.00 0.00 0.00 57.00 54.34 1sfj n GLN 40 Cb 0.01 -1.79 -0.17 0.00 0.00 0.00 0.00 30.24 28.29 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 -1.81 2.44 0.02 2.61 2.99 -0.72 -5.04 117.98 118.46 1sfj s PHE 41 Ca 0.42 -0.76 -0.30 0.00 0.00 0.00 0.00 56.93 56.29 1sfj s PHE 41 Cb 0.27 -1.60 -0.04 0.00 0.00 0.00 0.00 43.02 41.65 1sfj s PHE 41 CO 0.20 -0.24 1.04 -2.00 -0.00 0.00 0.00 175.22 174.22 1sfj s GLU 42 N -0.10 4.52 -1.14 0.44 2.12 -1.26 -3.82 118.70 119.46 1sfj s GLU 42 Ca -0.05 1.52 -0.03 0.00 0.36 0.00 0.00 54.97 56.76 1sfj s GLU 42 Cb -0.14 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 1sfj s GLU 42 CO 0.04 -0.11 0.95 0.09 -0.54 0.00 0.00 175.26 175.69 1sfj n ASN 43 N 3.90 -4.09 -4.77 -1.70 5.03 -1.26 -4.95 115.26 107.42 1sfj n ASN 43 Ca 0.07 -0.68 -0.38 0.00 0.87 0.00 0.00 54.58 54.46 1sfj n ASN 43 Cb 0.50 -5.07 -0.01 0.00 -1.02 0.00 0.00 39.78 34.17 1sfj n ASN 43 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1sfj s VAL 44 N -3.39 3.14 0.14 2.41 -7.23 -1.25 -5.05 120.40 109.17 1sfj s VAL 44 Ca 0.21 0.89 0.08 0.00 -1.81 0.00 0.00 61.98 61.36 1sfj s VAL 44 Cb -0.03 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 1sfj s VAL 44 CO 0.74 0.03 -0.18 0.42 -0.31 0.00 0.00 175.10 175.80 1sfj s THR 45 N -1.49 1.70 0.47 5.32 -4.23 -1.26 -5.02 115.64 111.14 1sfj s THR 45 Ca 0.61 -1.79 0.15 0.00 -1.18 0.00 0.00 61.69 59.47 1sfj s THR 45 Cb -0.29 -1.72 0.22 0.00 1.34 0.00 0.00 72.50 72.05 1sfj s THR 45 CO 0.36 -0.28 2.05 0.58 -0.54 0.00 0.00 174.62 176.80 1sfj h VAL 46 N 3.49 1.08 -0.23 2.29 2.07 -1.96 -1.00 116.25 121.99 1sfj h VAL 46 Ca -0.43 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1sfj h VAL 46 Cb 1.20 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1sfj h VAL 46 CO 0.48 0.11 0.05 0.44 0.02 0.00 0.00 177.57 178.67 1sfj h ASP 47 N 0.00 0.36 -0.27 0.57 5.19 -1.98 0.11 116.42 120.41 1sfj h ASP 47 Ca -0.00 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1sfj h ASP 47 Cb 0.20 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1sfj h ASP 47 CO 0.01 0.51 0.15 1.56 -3.12 0.00 0.00 179.24 178.35 1sfj h GLN 48 N 0.19 0.37 -0.08 3.56 4.20 -1.77 -0.76 115.11 120.84 1sfj h GLN 48 Ca 0.07 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.76 1sfj h GLN 48 Cb 0.29 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1sfj h GLN 48 CO 0.00 0.33 -0.07 0.28 -0.67 0.00 0.00 178.83 178.69 1sfj h VAL 49 N 0.32 0.79 -0.20 -0.54 2.07 -1.06 -1.17 116.25 116.45 1sfj h VAL 49 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1sfj h VAL 49 Cb 0.06 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1sfj h VAL 49 CO -0.02 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.71 1sfj h ALA 50 N 0.97 2.03 -0.06 1.67 0.00 -0.55 -0.04 119.26 123.28 1sfj h ALA 50 Ca 0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1sfj h ALA 50 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1sfj h ALA 50 CO -0.13 -0.07 -0.65 1.49 0.00 0.00 0.00 179.25 179.89 1sfj h GLU 51 N 0.13 0.24 -0.01 0.00 4.57 -0.12 -2.73 114.58 116.66 1sfj h GLU 51 Ca 0.09 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1sfj h GLU 51 Cb 0.19 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1sfj h GLU 51 CO -0.01 0.81 -0.01 0.52 -1.18 0.00 0.00 179.01 179.13 1sfj h MET 52 N 0.17 0.02 -0.34 1.92 2.86 0.09 -3.25 114.93 116.40 1sfj h MET 52 Ca -0.01 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1sfj h MET 52 Cb 1.18 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.79 1sfj h MET 52 CO 0.10 0.57 0.05 0.82 1.06 0.00 0.00 176.91 179.51 1sfj h ILE 53 N -0.52 0.80 0.00 -1.22 2.04 -1.27 -0.27 117.51 117.06 1sfj h ILE 53 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1sfj h ILE 53 Cb 0.57 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1sfj h ILE 53 CO 0.00 0.03 0.06 0.71 0.00 0.00 0.00 178.15 178.95 1sfj h THR 54 N 0.16 0.00 -0.01 -0.27 1.35 -1.57 0.49 112.91 113.05 1sfj h THR 54 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1sfj h THR 54 Cb 0.20 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1sfj h THR 54 CO -0.23 0.00 -0.07 0.29 -0.25 0.00 0.00 175.52 175.25 1sfj n LYS 55 N -2.56 1.29 -2.14 4.72 5.02 -0.12 -5.12 118.16 119.25 1sfj n LYS 55 Ca -0.02 -0.67 -0.02 0.00 -2.02 0.00 0.00 58.31 55.59 1sfj n LYS 55 Cb 0.10 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1sfj n LYS 55 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sfj n LEU 56 N -0.27 0.00 0.00 -0.35 4.77 0.17 -5.11 117.00 116.21 1sfj n LEU 56 Ca 0.17 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1sfj n LEU 56 Cb 0.32 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1sfj n LEU 56 CO 0.20 -0.02 0.00 -0.24 -1.33 0.00 0.00 177.39 175.99 1sfj n SER 62 N -1.07 0.00 -4.29 -1.43 2.88 -1.26 -5.10 113.62 103.34 1sfj n SER 62 Ca -0.01 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.30 1sfj n SER 62 Cb 0.03 -0.60 -0.12 0.00 -0.75 0.00 0.00 64.21 62.77 1sfj n SER 62 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1sfj s PHE 63 N -0.14 1.77 0.71 0.66 -0.71 -1.26 -4.86 117.98 114.15 1sfj s PHE 63 Ca 0.00 -0.43 -0.13 0.00 -1.04 0.00 0.00 56.93 55.33 1sfj s PHE 63 Cb 0.00 -0.95 0.03 0.00 -1.21 0.00 0.00 43.02 40.88 1sfj s PHE 63 CO 0.00 0.23 1.10 0.15 -1.34 0.00 0.00 175.22 175.36 1sfj s LYS 64 N -2.12 2.57 -0.19 1.99 1.02 -0.38 -4.77 119.74 117.86 1sfj s LYS 64 Ca 0.08 1.27 -0.02 0.00 0.02 0.00 0.00 55.97 57.33 1sfj s LYS 64 Cb -0.09 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1sfj s LYS 64 CO 0.05 -1.41 -0.11 -1.17 -0.92 0.00 0.00 175.35 171.78 1sfj s LEU 65 N -5.36 2.60 -0.11 3.17 2.96 -1.26 -0.61 118.68 120.06 1sfj s LEU 65 Ca 0.64 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 1sfj s LEU 65 Cb -0.19 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1sfj s LEU 65 CO 0.48 0.01 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.28 1sfj s LEU 66 N 1.27 3.37 -0.17 -0.68 2.96 0.76 -1.03 118.68 125.16 1sfj s LEU 66 Ca 0.03 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1sfj s LEU 66 Cb -0.14 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.78 1sfj s LEU 66 CO -0.05 0.29 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.41 1sfj s VAL 67 N -0.35 2.45 -0.07 1.68 1.01 0.50 0.42 120.40 126.03 1sfj s VAL 67 Ca 0.06 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1sfj s VAL 67 Cb -0.12 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1sfj s VAL 67 CO 0.02 0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 174.57 1sfj s THR 68 N 1.12 1.53 -0.37 3.92 2.01 -0.82 -2.39 115.64 120.64 1sfj s THR 68 Ca 0.01 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 1sfj s THR 68 Cb -0.14 -1.35 0.10 0.00 0.01 0.00 0.00 72.50 71.12 1sfj s THR 68 CO -0.06 0.44 0.12 -0.47 -0.69 0.00 0.00 174.62 173.96 1sfj s TYR 69 N 0.44 3.60 -0.33 4.92 6.14 -1.26 -0.95 117.35 129.91 1sfj s TYR 69 Ca -0.14 -2.53 -0.18 0.00 0.64 0.00 0.00 57.07 54.86 1sfj s TYR 69 Cb -0.16 -2.97 -0.01 0.00 0.42 0.00 0.00 41.96 39.25 1sfj s TYR 69 CO 0.05 -0.94 0.49 0.50 0.64 0.00 0.00 175.55 176.30 1sfj s ARG 70 N 1.08 3.69 0.33 4.97 6.06 -1.26 -4.89 118.95 128.93 1sfj s ARG 70 Ca 0.07 -0.11 -0.29 0.00 -2.50 0.00 0.00 55.73 52.90 1sfj s ARG 70 Cb -0.21 -3.78 -0.10 0.00 0.06 0.00 0.00 34.95 30.92 1sfj s ARG 70 CO -0.05 -0.58 1.26 0.95 -2.50 0.00 0.00 175.30 174.37 1sfj s THR 71 N 2.34 2.90 0.57 4.11 -4.23 -1.26 -1.67 115.64 118.39 1sfj s THR 71 Ca 0.18 0.89 0.30 0.00 -1.18 0.00 0.00 61.69 61.88 1sfj s THR 71 Cb -0.16 -3.56 0.42 0.00 1.34 0.00 0.00 72.50 70.54 1sfj s THR 71 CO 0.13 0.20 1.86 0.50 -0.54 0.00 0.00 174.62 176.77 1sfj h LYS 72 N 3.41 0.00 0.00 3.99 3.64 -1.18 0.99 116.57 127.42 1sfj h LYS 72 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1sfj h LYS 72 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1sfj h LYS 72 CO 0.65 0.00 0.00 -0.11 -2.27 0.00 0.00 179.45 177.72 1sfj n LEU 73 N -3.91 0.00 -1.46 5.20 0.00 -1.26 -2.93 117.00 112.65 1sfj n LEU 73 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.16 1sfj n LEU 73 Cb 0.83 0.00 0.01 0.00 0.00 0.00 0.00 43.42 44.26 1sfj n LEU 73 CO 0.32 0.00 0.11 0.00 0.00 0.00 0.00 177.39 177.82 1sfj n GLN 74 N -0.76 0.05 0.00 1.96 6.02 0.34 -4.96 117.38 120.02 1sfj n GLN 74 Ca 0.08 -1.87 0.00 0.00 -0.01 0.00 0.00 57.00 55.19 1sfj n GLN 74 Cb 0.03 0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.34 1sfj n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sfj n GLY 75 N 0.39 1.17 3.18 1.08 0.00 -1.15 -4.81 105.19 105.05 1sfj n GLY 75 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 -0.77 0.48 -0.02 0.00 -0.78 -4.92 105.19 97.17 1sfj n GLY 76 Ca 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.22 0.06 -2.15 1.61 4.01 -1.08 -3.28 117.16 113.11 1sfj n TYR 77 Ca 0.14 -0.06 -0.42 0.00 -0.16 0.00 0.00 57.90 57.39 1sfj n TYR 77 Cb 0.48 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 1sfj n TYR 77 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1sfj s GLY 78 N -0.95 1.76 -0.77 2.72 0.00 -0.67 -4.66 107.32 104.76 1sfj s GLY 78 Ca 0.15 0.95 0.03 0.00 0.00 0.00 0.00 44.72 45.84 1sfj s GLY 78 CO 0.14 2.63 0.88 -1.06 0.00 0.00 0.00 173.10 175.70 1sfj n GLN 79 N 5.56 2.89 -4.62 2.90 6.02 -1.26 -1.30 117.38 127.57 1sfj n GLN 79 Ca 0.14 -4.62 -0.22 0.00 -0.01 0.00 0.00 57.00 52.29 1sfj n GLN 79 Cb 0.43 -2.33 -0.15 0.00 1.02 0.00 0.00 30.24 29.21 1sfj n GLN 79 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1sfj s PHE 80 N -2.35 1.30 1.16 1.08 2.99 -1.26 -5.04 117.98 115.86 1sfj s PHE 80 Ca 0.35 -0.26 -0.17 0.00 0.00 0.00 0.00 56.93 56.85 1sfj s PHE 80 Cb 0.09 -0.83 0.18 0.00 0.00 0.00 0.00 43.02 42.46 1sfj s PHE 80 CO -0.01 -0.01 0.32 2.41 -0.00 0.00 0.00 175.22 177.93 1sfj n THR 81 N 2.58 0.00 -0.02 0.64 -1.04 -1.26 -4.56 114.28 110.63 1sfj n THR 81 Ca -0.15 -0.30 -0.03 0.00 -2.04 0.00 0.00 64.05 61.53 1sfj n THR 81 Cb 0.55 -0.71 0.20 0.00 -1.82 0.00 0.00 70.33 68.55 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 -2.43 0.56 0.02 8.00 -1.24 -2.01 -0.86 115.58 117.61 1sfj h ASN 82 Ca -0.52 -0.16 -0.10 0.00 0.71 0.00 0.00 56.30 56.23 1sfj h ASN 82 Cb 1.29 -0.15 0.01 0.00 0.73 0.00 0.00 38.32 40.20 1sfj h ASN 82 CO 0.38 0.74 -0.40 0.44 -1.29 0.00 0.00 177.43 177.29 1sfj h ASP 83 N 0.51 0.32 0.26 1.15 3.32 -1.98 -1.27 116.42 118.73 1sfj h ASP 83 Ca 0.09 -0.81 -0.09 0.00 0.02 0.00 0.00 57.03 56.24 1sfj h ASP 83 Cb 0.57 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1sfj h ASP 83 CO 0.04 1.10 -0.36 0.77 -1.72 0.00 0.00 179.24 179.07 1sfj h SER 84 N -0.41 0.14 0.15 6.45 4.64 -1.89 -0.50 113.55 122.13 1sfj h SER 84 Ca -0.06 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1sfj h SER 84 Cb 1.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1sfj h SER 84 CO 0.08 0.49 -0.07 0.22 -0.87 0.00 0.00 176.83 176.67 1sfj h TYR 85 N 0.12 -0.19 -0.98 4.77 3.20 -1.22 -2.36 116.97 120.31 1sfj h TYR 85 Ca 0.01 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.95 1sfj h TYR 85 Cb 0.69 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.96 1sfj h TYR 85 CO 0.01 0.20 0.63 -0.07 -1.64 0.00 0.00 178.16 177.29 1sfj h LEU 86 N -0.64 1.00 -0.75 2.82 3.38 -1.04 -1.59 115.31 118.48 1sfj h LEU 86 Ca -0.02 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1sfj h LEU 86 Cb 0.48 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1sfj h LEU 86 CO 0.03 0.62 -0.48 0.78 0.09 0.00 0.00 178.44 179.49 1sfj h ASN 87 N 1.12 0.37 -0.52 -0.43 2.35 -1.11 -1.82 115.58 115.54 1sfj h ASN 87 Ca 0.43 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 1sfj h ASN 87 Cb 0.21 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1sfj h ASN 87 CO -0.18 0.80 0.01 0.25 -1.65 0.00 0.00 177.43 176.66 1sfj h LEU 88 N 0.28 0.93 -0.39 1.61 5.85 -0.76 0.19 115.31 123.02 1sfj h LEU 88 Ca 0.02 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1sfj h LEU 88 Cb 0.95 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1sfj h LEU 88 CO 0.08 0.99 0.07 0.40 -0.34 0.00 0.00 178.44 179.64 1sfj h ILE 89 N 0.89 1.24 -0.48 4.05 1.08 -1.10 -0.26 117.51 122.93 1sfj h ILE 89 Ca 0.16 -0.83 -0.06 0.00 -0.39 0.00 0.00 64.86 63.74 1sfj h ILE 89 Cb 0.51 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 1sfj h ILE 89 CO 0.02 0.28 0.05 -1.28 -0.69 0.00 0.00 178.15 176.54 1sfj h SER 90 N 0.48 0.79 -0.06 1.72 0.87 -1.03 -2.85 113.55 113.47 1sfj h SER 90 Ca 0.12 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.33 1sfj h SER 90 Cb 0.34 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1sfj h SER 90 CO 0.01 0.87 -0.16 0.44 -0.53 0.00 0.00 176.83 177.46 1sfj h ASP 91 N 0.68 0.40 -0.66 6.23 3.32 -0.46 -2.35 116.42 123.58 1sfj h ASP 91 Ca 0.14 -0.10 0.19 0.00 0.02 0.00 0.00 57.03 57.28 1sfj h ASP 91 Cb 0.44 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1sfj h ASP 91 CO 0.01 0.58 0.51 -0.07 -1.72 0.00 0.00 179.24 178.55 1sfj h LEU 92 N 0.38 0.00 -2.13 1.55 3.38 -0.79 -0.56 115.31 117.14 1sfj h LEU 92 Ca 0.07 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1sfj h LEU 92 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1sfj h LEU 92 CO 0.03 0.00 0.20 0.00 0.09 0.00 0.00 178.44 178.76 1sfj h ALA 93 N 1.60 2.01 0.00 1.53 0.00 -1.46 -2.59 119.26 120.35 1sfj h ALA 93 Ca 0.31 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1sfj h ALA 93 Cb 1.33 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1sfj h ALA 93 CO -0.00 -0.32 -0.37 -0.91 0.00 0.00 0.00 179.25 177.65 1sfj h ASN 94 N 0.00 0.00 -2.89 0.00 2.35 -1.29 -3.43 115.58 110.33 1sfj h ASN 94 Ca 0.11 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.29 1sfj h ASN 94 Cb 0.51 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1sfj h ASN 94 CO -0.00 0.37 1.07 -0.63 -1.65 0.00 0.00 177.43 176.59 1sfj s ILE 95 N -4.11 3.84 0.25 2.81 1.01 -0.98 -4.91 121.20 119.11 1sfj s ILE 95 Ca -0.02 0.95 -0.03 0.00 0.00 0.00 0.00 60.65 61.55 1sfj s ILE 95 Cb 0.14 -3.85 0.14 0.00 0.01 0.00 0.00 42.46 38.90 1sfj s ILE 95 CO 0.71 -0.35 1.79 0.78 0.00 0.00 0.00 174.94 177.88 1sfj h ASN 96 N 10.21 0.87 0.25 3.58 4.21 -1.89 -2.96 115.58 129.85 1sfj h ASN 96 Ca -0.31 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1sfj h ASN 96 Cb 1.13 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 1sfj h ASN 96 CO 1.01 0.85 0.00 0.61 -1.29 0.00 0.00 177.43 178.61 1sfj n GLY 97 N -0.80 -0.72 3.67 2.83 0.00 -1.26 -4.65 105.19 104.26 1sfj n GLY 97 Ca 0.04 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.84 5.00 -0.21 -0.61 1.01 -1.12 -4.63 121.20 117.79 1sfj s ILE 98 Ca 0.06 1.31 0.14 0.00 0.00 0.00 0.00 60.65 62.16 1sfj s ILE 98 Cb 0.06 -4.00 -0.23 0.00 0.01 0.00 0.00 42.46 38.30 1sfj s ILE 98 CO 0.15 0.12 0.01 0.47 0.00 0.00 0.00 174.94 175.69 1sfj n ASP 99 N 4.86 0.50 -3.93 3.58 8.00 -0.40 -4.88 116.55 124.28 1sfj n ASP 99 Ca -0.00 -0.02 -0.17 0.00 0.71 0.00 0.00 54.79 55.30 1sfj n ASP 99 Cb 0.50 0.63 -0.15 0.00 -0.02 0.00 0.00 41.12 42.08 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 -2.50 0.51 -0.02 -1.24 -1.94 -0.20 0.21 119.30 114.13 1sfj s MET 100 Ca -0.16 -0.14 0.07 0.00 -1.71 0.00 0.00 55.69 53.75 1sfj s MET 100 Cb 0.07 -0.53 -0.02 0.00 2.01 0.00 0.00 34.83 36.36 1sfj s MET 100 CO 0.78 0.04 -0.23 0.42 -0.01 0.00 0.00 175.02 176.02 1sfj s ILE 101 N 0.24 1.86 -0.28 2.53 1.01 -0.58 -0.37 121.20 125.60 1sfj s ILE 101 Ca -0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 1sfj s ILE 101 Cb -0.06 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1sfj s ILE 101 CO -0.00 0.53 0.12 -0.62 0.00 0.00 0.00 174.94 174.97 1sfj s ASP 102 N -0.49 5.46 -0.15 3.58 -1.08 -1.01 -1.32 116.67 121.67 1sfj s ASP 102 Ca 0.07 -0.28 -0.00 0.00 -0.52 0.00 0.00 52.55 51.82 1sfj s ASP 102 Cb -0.10 -1.99 -0.01 0.00 -1.46 0.00 0.00 42.92 39.36 1sfj s ASP 102 CO -0.00 -0.10 -0.13 -0.51 0.52 0.00 0.00 175.17 174.95 1sfj s ILE 103 N 1.64 2.95 0.60 4.11 1.10 -0.48 -4.45 121.20 126.67 1sfj s ILE 103 Ca 0.06 -0.68 -0.15 0.00 -0.51 0.00 0.00 60.65 59.37 1sfj s ILE 103 Cb -0.16 -2.25 -0.04 0.00 0.15 0.00 0.00 42.46 40.16 1sfj s ILE 103 CO 0.06 0.51 1.04 -1.61 -2.11 0.00 0.00 174.94 172.83 1sfj s GLU 104 N 0.59 3.41 0.15 3.50 2.02 -1.26 -1.48 118.70 125.64 1sfj s GLU 104 Ca -0.08 1.07 0.10 0.00 0.02 0.00 0.00 54.97 56.08 1sfj s GLU 104 Cb -0.16 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1sfj s GLU 104 CO 0.03 -0.72 -0.23 -0.46 0.02 0.00 0.00 175.26 173.90 1sfj s TRP 105 N -2.65 2.06 -0.30 1.61 -0.00 0.93 -4.78 118.94 115.81 1sfj s TRP 105 Ca 0.61 -0.40 -0.17 0.00 -0.00 0.00 0.00 56.10 56.13 1sfj s TRP 105 Cb -0.14 -1.07 0.18 0.00 -0.00 0.00 0.00 33.47 32.44 1sfj s TRP 105 CO 0.40 0.35 1.20 1.14 -0.00 0.00 0.00 176.95 180.04 1sfj s GLN 106 N -2.37 0.08 0.07 5.86 -2.07 -1.26 -4.72 119.66 115.25 1sfj s GLN 106 Ca 0.14 0.16 -0.01 0.00 -1.82 0.00 0.00 55.36 53.83 1sfj s GLN 106 Cb -0.08 0.09 0.13 0.00 -1.09 0.00 0.00 33.01 32.05 1sfj s GLN 106 CO 0.07 -0.07 0.36 0.00 -1.32 0.00 0.00 175.29 174.33 1sfj n ALA 107 N 5.22 0.07 0.88 2.60 0.00 -1.26 0.12 120.51 128.15 1sfj n ALA 107 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1sfj n ALA 107 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1sfj n ALA 107 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sfj n ASP 108 N -4.28 0.03 -4.77 0.00 5.68 -1.26 -4.80 116.55 107.15 1sfj n ASP 108 Ca 0.04 -0.91 -0.35 0.00 -0.50 0.00 0.00 54.79 53.07 1sfj n ASP 108 Cb 0.13 -0.01 0.01 0.00 -1.14 0.00 0.00 41.12 40.11 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 -1.93 3.05 -0.95 2.12 1.10 0.32 -4.92 121.20 119.99 1sfj s ILE 109 Ca 0.00 0.66 -0.23 0.00 -0.51 0.00 0.00 60.65 60.57 1sfj s ILE 109 Cb 0.00 -3.27 0.05 0.00 0.15 0.00 0.00 42.46 39.40 1sfj s ILE 109 CO 0.00 -0.14 1.37 -0.62 -2.11 0.00 0.00 174.94 173.45 1sfj s ASP 110 N -1.72 6.44 0.00 4.50 3.68 -1.26 -4.91 116.67 123.39 1sfj s ASP 110 Ca 0.73 -1.30 0.00 0.00 2.13 0.00 0.00 52.55 54.12 1sfj s ASP 110 Cb -0.25 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.67 1sfj s ASP 110 CO 0.28 -1.53 0.59 -0.38 0.13 0.00 0.00 175.17 174.27 1sfj n ILE 111 N 6.64 0.00 -0.29 4.11 5.41 -1.26 -1.46 119.36 132.51 1sfj n ILE 111 Ca 0.25 1.09 0.00 0.00 1.00 0.00 0.00 62.75 65.10 1sfj n ILE 111 Cb 0.50 -1.61 0.05 0.00 -0.71 0.00 0.00 39.64 37.87 1sfj n ILE 111 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1sfj n GLU 112 N -1.35 -0.15 -0.16 0.38 1.02 -1.26 0.69 120.64 119.81 1sfj n GLU 112 Ca 0.00 1.17 -0.03 0.00 -0.02 0.00 0.00 57.16 58.27 1sfj n GLU 112 Cb 0.00 -1.73 0.06 0.00 -0.02 0.00 0.00 31.44 29.75 1sfj n GLU 112 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1sfj h LYS 113 N 0.00 0.36 0.50 3.49 3.64 -1.90 0.24 116.57 122.90 1sfj h LYS 113 Ca 0.28 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1sfj h LYS 113 Cb 0.47 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1sfj h LYS 113 CO -0.76 0.24 -0.27 0.45 -2.27 0.00 0.00 179.45 176.84 1sfj h HIS 114 N 0.37 -0.70 -0.29 1.91 3.86 0.14 0.14 115.15 120.58 1sfj h HIS 114 Ca 0.23 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.52 1sfj h HIS 114 Cb 0.24 0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1sfj h HIS 114 CO -0.15 -0.42 0.25 0.37 0.86 0.00 0.00 177.93 178.84 1sfj h GLN 115 N -0.71 0.00 -0.02 2.45 5.75 -0.56 0.35 115.11 122.36 1sfj h GLN 115 Ca -0.06 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 1sfj h GLN 115 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1sfj h GLN 115 CO 0.09 0.00 -0.17 -0.09 -2.65 0.00 0.00 178.83 176.01 1sfj h ARG 116 N 0.00 0.15 -0.40 1.69 2.43 0.13 -2.53 114.38 115.86 1sfj h ARG 116 Ca 0.14 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1sfj h ARG 116 Cb 0.64 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1sfj h ARG 116 CO -0.00 0.83 -0.07 0.82 -1.51 0.00 0.00 179.97 180.04 1sfj h ILE 117 N -0.47 1.24 -0.12 1.20 1.08 0.14 -2.64 117.51 117.93 1sfj h ILE 117 Ca -0.02 -1.03 -0.04 0.00 -0.39 0.00 0.00 64.86 63.38 1sfj h ILE 117 Cb 0.87 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1sfj h ILE 117 CO 0.03 0.35 -0.08 0.40 -0.69 0.00 0.00 178.15 178.17 1sfj h ILE 118 N 0.62 1.33 -0.44 -0.67 2.04 -0.48 -2.49 117.51 117.43 1sfj h ILE 118 Ca 0.12 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1sfj h ILE 118 Cb 0.49 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1sfj h ILE 118 CO 0.03 0.33 0.29 0.74 0.00 0.00 0.00 178.15 179.54 1sfj h THR 119 N -0.11 1.12 -0.17 -0.27 2.02 -1.42 -1.64 112.91 112.43 1sfj h THR 119 Ca 0.02 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1sfj h THR 119 Cb 0.56 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1sfj h THR 119 CO 0.02 0.11 0.06 -0.74 0.37 0.00 0.00 175.52 175.34 1sfj h HIS 120 N 0.60 0.26 -0.81 3.16 -0.00 -1.40 -0.49 115.15 116.47 1sfj h HIS 120 Ca 0.16 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.48 1sfj h HIS 120 Cb -0.06 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.23 1sfj h HIS 120 CO 0.00 0.34 0.39 -0.07 -0.00 0.00 0.00 177.93 178.59 1sfj h LEU 121 N 0.10 1.05 -1.04 0.26 3.38 -0.92 -1.43 115.31 116.71 1sfj h LEU 121 Ca 0.05 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1sfj h LEU 121 Cb 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1sfj h LEU 121 CO -0.00 0.88 -0.38 1.56 0.09 0.00 0.00 178.44 180.59 1sfj h GLN 122 N 1.15 0.00 0.00 1.13 4.20 -1.18 -1.83 115.11 118.58 1sfj h GLN 122 Ca 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1sfj h GLN 122 Cb 0.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1sfj h GLN 122 CO -0.04 0.38 -0.06 0.37 -0.67 0.00 0.00 178.83 178.81 1sfj h GLN 123 N 0.00 0.00 -0.63 1.46 4.15 0.02 0.14 115.11 120.24 1sfj h GLN 123 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1sfj h GLN 123 Cb 0.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1sfj h GLN 123 CO 0.05 0.06 0.00 0.66 -1.93 0.00 0.00 178.83 177.67 1sfj n TYR 124 N -3.25 1.75 -3.57 3.99 4.02 -0.78 -4.94 117.16 114.38 1sfj n TYR 124 Ca -0.01 -0.65 -0.26 0.00 -0.01 0.00 0.00 57.90 56.97 1sfj n TYR 124 Cb 0.27 -0.36 0.05 0.00 -0.02 0.00 0.00 39.34 39.28 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 0.95 -5.69 -4.80 7.72 3.02 0.04 -4.98 115.26 111.52 1sfj n ASN 125 Ca 0.27 -0.55 -0.36 0.00 -0.03 0.00 0.00 54.58 53.90 1sfj n ASN 125 Cb 1.02 -4.52 -0.07 0.00 -0.61 0.00 0.00 39.78 35.60 1sfj n ASN 125 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sfj s LYS 126 N -6.28 3.50 -0.11 3.52 -0.14 -0.76 -4.97 119.74 114.50 1sfj s LYS 126 Ca 0.55 -0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 54.64 1sfj s LYS 126 Cb -0.26 -3.14 -0.01 0.00 -1.68 0.00 0.00 37.83 32.74 1sfj s LYS 126 CO 0.68 0.65 1.01 -1.21 -0.76 0.00 0.00 175.35 175.72 1sfj s GLU 127 N -0.69 4.41 -0.09 1.68 2.02 0.13 -4.19 118.70 121.99 1sfj s GLU 127 Ca 0.13 1.40 -0.13 0.00 0.02 0.00 0.00 54.97 56.38 1sfj s GLU 127 Cb -0.12 -3.55 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 1sfj s GLU 127 CO 0.03 -0.33 0.32 0.08 0.02 0.00 0.00 175.26 175.37 1sfj s VAL 128 N 2.07 5.23 -0.31 2.63 1.01 -1.26 -1.53 120.40 128.24 1sfj s VAL 128 Ca 0.48 0.62 0.02 0.00 0.00 0.00 0.00 61.98 63.10 1sfj s VAL 128 Cb -0.18 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.66 1sfj s VAL 128 CO 0.17 0.51 0.03 -0.63 0.00 0.00 0.00 175.10 175.18 1sfj s ILE 129 N -0.43 1.77 -0.17 2.22 1.01 -0.44 -0.91 121.20 124.25 1sfj s ILE 129 Ca 0.20 -1.84 -0.25 0.00 0.00 0.00 0.00 60.65 58.75 1sfj s ILE 129 Cb -0.14 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1sfj s ILE 129 CO 0.08 -0.48 0.83 -0.51 0.00 0.00 0.00 174.94 174.85 1sfj s ILE 130 N 1.19 4.88 0.19 2.92 1.10 -0.50 -1.38 121.20 129.61 1sfj s ILE 130 Ca 0.06 1.63 0.08 0.00 -0.51 0.00 0.00 60.65 61.91 1sfj s ILE 130 Cb -0.19 -4.14 -0.04 0.00 0.15 0.00 0.00 42.46 38.24 1sfj s ILE 130 CO -0.12 0.03 -0.16 -0.94 -2.11 0.00 0.00 174.94 171.64 1sfj s SER 131 N 1.15 2.67 -0.09 4.50 1.04 -0.55 0.16 113.70 122.58 1sfj s SER 131 Ca 0.38 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.81 1sfj s SER 131 Cb -0.17 -0.15 0.04 0.00 0.10 0.00 0.00 66.02 65.84 1sfj s SER 131 CO 0.12 -0.11 0.22 -2.28 0.98 0.00 0.00 173.24 172.18 1sfj s HIS 132 N -2.59 -0.29 0.15 5.02 2.46 0.05 -0.05 115.29 120.05 1sfj s HIS 132 Ca 0.20 0.71 0.11 0.00 0.47 0.00 0.00 55.06 56.55 1sfj s HIS 132 Cb -0.03 0.01 -0.04 0.00 -0.13 0.00 0.00 32.58 32.39 1sfj s HIS 132 CO 0.07 -0.22 -0.23 -1.01 -2.47 0.00 0.00 174.74 170.88 1sfj s HIS 133 N 1.26 2.37 -0.37 3.88 3.76 -1.26 -1.24 115.29 123.69 1sfj s HIS 133 Ca -0.09 -0.34 0.04 0.00 -0.15 0.00 0.00 55.06 54.52 1sfj s HIS 133 Cb -0.11 -1.23 0.16 0.00 1.11 0.00 0.00 32.58 32.51 1sfj s HIS 133 CO -0.08 0.42 0.45 1.21 -0.85 0.00 0.00 174.74 175.89 1sfj s ASN 134 N -2.34 0.32 0.00 1.40 3.84 -0.67 -4.98 114.94 112.51 1sfj s ASN 134 Ca 0.18 -1.17 0.24 0.00 0.21 0.00 0.00 52.86 52.32 1sfj s ASN 134 Cb -0.09 1.02 1.44 0.00 -0.55 0.00 0.00 41.25 43.07 1sfj s ASN 134 CO 0.09 -0.25 1.91 0.49 -2.79 0.00 0.00 177.10 176.54 1sfj n PHE 135 N 4.48 0.00 -0.11 0.43 3.01 -1.26 -1.22 117.46 122.79 1sfj n PHE 135 Ca 0.09 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.42 1sfj n PHE 135 Cb 0.49 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.81 1sfj n PHE 135 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1sfj n GLU 136 N -0.89 0.68 -3.92 -1.08 4.71 -1.26 -4.75 120.64 114.12 1sfj n GLU 136 Ca 0.18 0.06 -0.02 0.00 -0.01 0.00 0.00 57.16 57.38 1sfj n GLU 136 Cb 0.08 -1.53 0.02 0.00 -1.01 0.00 0.00 31.44 29.00 1sfj n GLU 136 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1sfj s SER 137 N -5.91 0.01 -0.29 1.62 1.04 -1.25 -4.90 113.70 104.03 1sfj s SER 137 Ca -0.19 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 1sfj s SER 137 Cb 0.07 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1sfj s SER 137 CO 0.75 -0.83 -0.03 -0.89 0.98 0.00 0.00 173.24 173.21 1sfj s THR 138 N -2.09 2.81 0.83 2.02 2.01 0.04 -3.04 115.64 118.22 1sfj s THR 138 Ca 0.24 -1.40 -0.13 0.00 0.31 0.00 0.00 61.69 60.72 1sfj s THR 138 Cb -0.02 -2.60 0.08 0.00 0.01 0.00 0.00 72.50 69.97 1sfj s THR 138 CO 0.04 -0.06 1.10 -2.65 -0.69 0.00 0.00 174.62 172.36 1sfj n PRO 139 N 4.59 0.08 -0.74 4.92 -0.02 -1.26 -4.95 135.00 137.62 1sfj n PRO 139 Ca -0.14 0.10 -0.32 0.00 -2.02 0.00 0.00 63.50 61.12 1sfj n PRO 139 Cb 0.43 -2.35 0.14 0.00 -0.02 0.00 0.00 33.50 31.71 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 -3.11 -0.55 -0.07 0.52 -0.02 -1.26 -4.55 135.00 125.96 1sfj n PRO 140 Ca 0.13 -0.11 -0.11 0.00 -2.02 0.00 0.00 63.50 61.39 1sfj n PRO 140 Cb 0.51 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.74 -1.30 -0.95 2.45 5.85 -1.92 -1.06 115.31 116.63 1sfj h LEU 141 Ca -0.45 0.19 0.17 0.00 0.84 0.00 0.00 57.88 58.63 1sfj h LEU 141 Cb 1.29 0.56 -0.10 0.00 0.37 0.00 0.00 40.66 42.77 1sfj h LEU 141 CO 0.37 -0.38 0.55 -2.24 -0.34 0.00 0.00 178.44 176.40 1sfj h ASP 142 N -0.38 0.72 0.24 1.25 2.03 -1.97 0.13 116.42 118.43 1sfj h ASP 142 Ca 0.12 0.09 -0.12 0.00 -0.73 0.00 0.00 57.03 56.39 1sfj h ASP 142 Cb 0.59 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.04 1sfj h ASP 142 CO -0.49 0.28 -0.47 -0.08 -1.03 0.00 0.00 179.24 177.46 1sfj h GLU 143 N 0.74 0.27 0.04 4.15 4.57 -1.66 0.11 114.58 122.81 1sfj h GLU 143 Ca 0.53 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1sfj h GLU 143 Cb 0.77 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1sfj h GLU 143 CO -0.36 0.68 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.06 1sfj h LEU 144 N 0.22 -0.05 -1.45 1.64 3.38 0.35 0.13 115.31 119.53 1sfj h LEU 144 Ca 0.01 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1sfj h LEU 144 Cb 0.91 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 1sfj h LEU 144 CO 0.07 0.31 0.42 -0.61 0.09 0.00 0.00 178.44 178.71 1sfj h GLN 145 N -0.40 0.68 0.07 1.13 4.15 -0.71 -1.77 115.11 118.25 1sfj h GLN 145 Ca -0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1sfj h GLN 145 Cb 0.37 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1sfj h GLN 145 CO 0.01 0.45 -0.03 0.35 -1.93 0.00 0.00 178.83 177.67 1sfj h PHE 146 N 0.70 -0.09 -0.60 3.99 3.57 -0.74 -2.11 116.94 121.66 1sfj h PHE 146 Ca 0.26 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.82 1sfj h PHE 146 Cb 0.15 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1sfj h PHE 146 CO -0.00 0.33 0.40 0.97 -2.23 0.00 0.00 178.31 177.78 1sfj h ILE 147 N -0.54 1.00 -0.66 1.41 -0.00 -0.64 0.78 117.51 118.86 1sfj h ILE 147 Ca -0.01 -0.20 -0.09 0.00 -0.00 0.00 0.00 64.86 64.56 1sfj h ILE 147 Cb 0.46 0.36 -0.03 0.00 -0.00 0.00 0.00 36.82 37.62 1sfj h ILE 147 CO 0.02 0.11 0.08 -0.26 -0.00 0.00 0.00 178.15 178.09 1sfj h PHE 148 N 0.58 1.19 0.29 2.19 0.05 -1.25 -2.65 116.94 117.34 1sfj h PHE 148 Ca 0.26 -0.18 -0.01 0.00 3.82 0.00 0.00 57.97 61.86 1sfj h PHE 148 Cb 0.28 -0.32 0.00 0.00 2.00 0.00 0.00 35.95 37.91 1sfj h PHE 148 CO -0.00 1.01 -0.15 0.35 -0.18 0.00 0.00 178.31 179.34 1sfj h PHE 149 N 1.03 -0.38 -0.72 -0.55 3.57 -0.19 -2.14 116.94 117.56 1sfj h PHE 149 Ca 0.20 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1sfj h PHE 149 Cb 0.48 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1sfj h PHE 149 CO 0.04 -0.23 0.40 0.87 -2.23 0.00 0.00 178.31 177.15 1sfj h LYS 150 N -0.40 0.69 0.00 1.11 1.79 -1.19 -2.18 116.57 116.40 1sfj h LYS 150 Ca -0.04 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 1sfj h LYS 150 Cb 0.31 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1sfj h LYS 150 CO 0.06 0.46 -0.30 0.52 -1.08 0.00 0.00 179.45 179.11 1sfj h MET 151 N 0.71 0.00 -0.07 3.15 2.86 -1.31 -2.66 114.93 117.61 1sfj h MET 151 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1sfj h MET 151 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1sfj h MET 151 CO -0.21 0.30 0.00 0.00 1.06 0.00 0.00 176.91 178.06 1sfj n GLN 152 N -3.77 1.66 0.26 1.72 -0.00 -0.82 -3.79 117.38 112.65 1sfj n GLN 152 Ca -0.01 -0.98 0.15 0.00 -0.00 0.00 0.00 57.00 56.16 1sfj n GLN 152 Cb 0.39 -1.45 0.58 0.00 -0.00 0.00 0.00 30.24 29.76 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 2.22 0.00 -0.59 2.61 1.79 -1.24 -2.43 116.57 118.93 1sfj h LYS 153 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sfj h LYS 153 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1sfj h LYS 153 CO 0.00 0.07 0.00 1.19 -1.08 0.00 0.00 179.45 179.63 1sfj n PHE 154 N -3.18 0.92 -3.76 -1.35 3.01 -1.25 -4.96 117.46 106.89 1sfj n PHE 154 Ca 0.01 -0.37 -0.27 0.00 1.01 0.00 0.00 57.45 57.83 1sfj n PHE 154 Cb 0.36 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 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 0.63 -4.10 -4.73 4.37 4.13 -0.92 -4.92 115.26 109.71 1sfj n ASN 155 Ca 0.16 -0.95 -0.23 0.00 1.68 0.00 0.00 54.58 55.24 1sfj n ASN 155 Cb 0.59 -1.41 0.09 0.00 -1.54 0.00 0.00 39.78 37.51 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 -5.29 1.84 0.01 3.52 0.04 -1.26 -5.02 135.00 128.84 1sfj s PRO 156 Ca 0.11 -1.02 -0.19 0.00 0.04 0.00 0.00 61.00 59.93 1sfj s PRO 156 Cb -0.06 -2.35 -0.22 0.00 0.04 0.00 0.00 34.50 31.91 1sfj s PRO 156 CO 0.82 -1.32 1.14 0.93 0.04 0.00 0.00 177.00 178.60 1sfj h GLU 157 N -0.43 0.43 -4.89 4.56 3.07 -1.56 -3.45 114.58 112.32 1sfj h GLU 157 Ca -0.38 -0.43 -0.38 0.00 -0.50 0.00 0.00 59.36 57.68 1sfj h GLU 157 Cb 1.27 0.11 -0.25 0.00 -0.84 0.00 0.00 28.75 29.04 1sfj h GLU 157 CO 0.43 1.08 -0.77 0.71 -1.40 0.00 0.00 179.01 179.06 1sfj s TYR 158 N -3.35 0.91 -0.15 4.33 2.02 -0.09 -2.43 117.35 118.59 1sfj s TYR 158 Ca -0.13 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.25 1sfj s TYR 158 Cb 0.04 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 41.04 1sfj s TYR 158 CO 0.82 -0.01 -0.12 0.54 -1.57 0.00 0.00 175.55 175.22 1sfj s VAL 159 N -0.74 3.06 -0.07 0.71 0.11 -0.65 -1.41 120.40 121.42 1sfj s VAL 159 Ca -0.01 -0.64 0.05 0.00 -2.93 0.00 0.00 61.98 58.45 1sfj s VAL 159 Cb -0.07 -2.31 -0.00 0.00 -1.53 0.00 0.00 36.38 32.47 1sfj s VAL 159 CO 0.01 0.51 -0.22 -0.75 -3.33 0.00 0.00 175.10 171.31 1sfj s LYS 160 N 0.63 2.48 -0.18 1.54 2.20 0.12 -0.25 119.74 126.28 1sfj s LYS 160 Ca -0.07 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 54.71 1sfj s LYS 160 Cb -0.15 -2.01 0.06 0.00 -1.51 0.00 0.00 37.83 34.21 1sfj s LYS 160 CO 0.03 0.26 0.08 -1.17 -0.36 0.00 0.00 175.35 174.19 1sfj s LEU 161 N 0.11 0.55 -0.15 5.43 2.96 -0.05 -0.77 118.68 126.76 1sfj s LEU 161 Ca -0.09 -0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 53.07 1sfj s LEU 161 Cb -0.15 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.18 1sfj s LEU 161 CO 0.05 -0.35 -0.01 0.00 -1.32 0.00 0.00 176.35 174.72 1sfj s ALA 162 N 2.07 3.12 0.02 5.97 0.00 -0.37 -0.81 121.76 131.77 1sfj s ALA 162 Ca 0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1sfj s ALA 162 Cb -0.16 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 1sfj s ALA 162 CO -0.10 0.25 0.02 0.14 0.00 0.00 0.00 175.76 176.07 1sfj s VAL 163 N 0.22 0.12 -0.32 0.00 -7.23 0.32 -1.67 120.40 111.83 1sfj s VAL 163 Ca -0.01 -0.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.99 1sfj s VAL 163 Cb -0.13 -0.50 -0.01 0.00 0.56 0.00 0.00 36.38 36.30 1sfj s VAL 163 CO 0.02 -0.54 0.58 -0.32 -0.31 0.00 0.00 175.10 174.53 1sfj s MET 164 N -1.84 3.79 0.53 4.82 1.75 -0.36 -0.58 119.30 127.41 1sfj s MET 164 Ca -0.12 0.11 -0.14 0.00 -1.25 0.00 0.00 55.69 54.30 1sfj s MET 164 Cb -0.07 -3.76 -0.06 0.00 2.84 0.00 0.00 34.83 33.78 1sfj s MET 164 CO -0.02 -0.60 0.96 -1.25 -0.65 0.00 0.00 175.02 173.46 1sfj s PRO 165 N 2.53 3.81 0.00 4.11 0.04 -1.26 -0.78 135.00 143.45 1sfj s PRO 165 Ca 0.23 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1sfj s PRO 165 Cb -0.15 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1sfj s PRO 165 CO 0.13 -0.32 0.13 0.72 0.04 0.00 0.00 177.00 177.69 1sfj n HIS 166 N -1.91 0.00 -3.81 0.56 8.25 -1.26 -4.91 115.22 112.14 1sfj n HIS 166 Ca 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1sfj n HIS 166 Cb 0.54 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 -0.50 -0.13 0.22 0.41 2.20 -1.26 -5.04 114.94 110.84 1sfj s ASN 167 Ca 0.00 -0.64 -0.08 0.00 -0.94 0.00 0.00 52.86 51.20 1sfj s ASN 167 Cb 0.00 0.61 0.25 0.00 -2.00 0.00 0.00 41.25 40.11 1sfj s ASN 167 CO 0.00 -1.17 1.85 0.11 -2.94 0.00 0.00 177.10 174.95 1sfj h LYS 168 N 2.00 0.86 -0.37 3.55 1.57 -1.98 -2.63 116.57 119.57 1sfj h LYS 168 Ca -0.25 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1sfj h LYS 168 Cb 1.24 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1sfj h LYS 168 CO 0.30 0.57 0.22 -0.91 -0.57 0.00 0.00 179.45 179.06 1sfj h ASN 169 N 0.89 0.44 0.19 0.86 2.35 -1.99 -0.09 115.58 118.23 1sfj h ASN 169 Ca 0.32 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1sfj h ASN 169 Cb 0.09 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1sfj h ASN 169 CO -0.14 0.34 -0.15 0.44 -1.65 0.00 0.00 177.43 176.28 1sfj h ASP 170 N 0.51 0.00 0.00 5.81 3.32 -1.85 0.11 116.42 124.33 1sfj h ASP 170 Ca 0.13 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1sfj h ASP 170 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1sfj h ASP 170 CO -0.03 0.15 -0.22 0.58 -1.72 0.00 0.00 179.24 178.00 1sfj h VAL 171 N 0.00 1.57 -0.50 -1.35 2.07 -1.04 -2.68 116.25 114.32 1sfj h VAL 171 Ca -0.00 -1.97 -0.06 0.00 0.82 0.00 0.00 66.70 65.49 1sfj h VAL 171 Cb 0.28 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1sfj h VAL 171 CO 0.02 0.54 0.08 -0.07 0.02 0.00 0.00 177.57 178.16 1sfj h LEU 172 N -0.55 0.74 -0.36 2.57 3.38 -1.07 -1.54 115.31 118.48 1sfj h LEU 172 Ca -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1sfj h LEU 172 Cb 1.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1sfj h LEU 172 CO 0.04 0.75 0.19 0.78 0.09 0.00 0.00 178.44 180.30 1sfj h ASN 173 N 0.75 0.46 -0.77 -0.43 -0.26 -0.84 0.46 115.58 114.96 1sfj h ASN 173 Ca 0.16 -0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1sfj h ASN 173 Cb 0.33 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.44 1sfj h ASN 173 CO 0.00 0.43 0.41 0.25 -1.06 0.00 0.00 177.43 177.46 1sfj h LEU 174 N 0.46 0.98 -0.40 1.61 7.12 -1.18 -0.74 115.31 123.16 1sfj h LEU 174 Ca 0.13 -0.09 -0.12 0.00 0.13 0.00 0.00 57.88 57.92 1sfj h LEU 174 Cb 0.08 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 1sfj h LEU 174 CO -0.02 0.80 -0.23 -0.07 -0.13 0.00 0.00 178.44 178.79 1sfj h LEU 175 N 1.09 0.89 -0.38 2.25 3.38 -0.65 -2.58 115.31 119.31 1sfj h LEU 175 Ca 0.27 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1sfj h LEU 175 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1sfj h LEU 175 CO -0.04 1.12 0.09 -0.61 0.09 0.00 0.00 178.44 179.09 1sfj h GLN 176 N 0.67 0.61 0.18 1.13 5.75 0.28 -0.99 115.11 122.75 1sfj h GLN 176 Ca 0.08 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1sfj h GLN 176 Cb 0.80 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1sfj h GLN 176 CO 0.07 0.64 -0.16 0.00 -2.65 0.00 0.00 178.83 176.73 1sfj h ALA 177 N 0.94 -0.33 -0.58 3.38 0.00 -1.13 0.20 119.26 121.73 1sfj h ALA 177 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1sfj h ALA 177 Cb 0.31 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1sfj h ALA 177 CO 0.00 -0.70 0.20 0.00 0.00 0.00 0.00 179.25 178.75 1sfj h MET 178 N -0.36 0.86 0.37 0.00 -0.00 -1.42 -1.07 114.93 113.32 1sfj h MET 178 Ca -0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 1sfj h MET 178 Cb 0.33 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1sfj h MET 178 CO -0.02 0.73 -0.18 1.03 -0.00 0.00 0.00 176.91 178.47 1sfj h SER 179 N 0.84 -0.42 -0.63 -0.10 0.87 -0.79 -0.84 113.55 112.47 1sfj h SER 179 Ca 0.19 -0.07 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 1sfj h SER 179 Cb 0.22 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.21 1sfj h SER 179 CO -0.01 -0.18 0.26 0.74 -0.53 0.00 0.00 176.83 177.10 1sfj h THR 180 N -0.65 0.79 0.10 2.23 2.02 -0.81 -2.29 112.91 114.30 1sfj h THR 180 Ca -0.05 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1sfj h THR 180 Cb 0.47 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1sfj h THR 180 CO 0.08 0.08 -0.13 0.15 0.37 0.00 0.00 175.52 176.08 1sfj h PHE 181 N 0.46 -0.33 0.00 3.16 3.57 -1.02 -1.75 116.94 121.02 1sfj h PHE 181 Ca 0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1sfj h PHE 181 Cb 0.38 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1sfj h PHE 181 CO -0.15 -0.19 0.00 0.66 -2.23 0.00 0.00 178.31 176.39 1sfj h SER 182 N -0.27 0.00 0.82 0.41 4.64 -0.71 -0.21 113.55 118.24 1sfj h SER 182 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1sfj h SER 182 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1sfj h SER 182 CO -0.05 0.00 -0.67 0.47 -0.87 0.00 0.00 176.83 175.71 1sfj n ASP 183 N -2.56 0.69 -0.00 4.97 8.00 -0.69 -4.66 116.55 122.31 1sfj n ASP 183 Ca -0.01 0.09 -0.02 0.00 0.71 0.00 0.00 54.79 55.56 1sfj n ASP 183 Cb 0.08 0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 1sfj n ASP 183 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1sfj n THR 184 N -2.10 0.63 -1.60 -3.53 -1.04 -0.19 -5.07 114.28 101.37 1sfj n THR 184 Ca 0.03 0.24 -0.37 0.00 -2.04 0.00 0.00 64.05 61.92 1sfj n THR 184 Cb 0.44 -1.51 0.07 0.00 -1.82 0.00 0.00 70.33 67.51 1sfj n THR 184 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1sfj n MET 185 N -3.14 0.89 -0.90 -2.82 2.81 -0.58 -4.91 117.12 108.47 1sfj n MET 185 Ca -0.02 0.36 -0.01 0.00 -1.81 0.00 0.00 57.70 56.22 1sfj n MET 185 Cb 0.09 -2.39 0.32 0.00 -0.71 0.00 0.00 33.22 30.53 1sfj n MET 185 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1sfj n ASP 186 N -1.70 4.93 -4.58 7.83 9.92 -1.26 -4.83 116.55 126.86 1sfj n ASP 186 Ca 0.15 -3.00 -0.30 0.00 -0.53 0.00 0.00 54.79 51.11 1sfj n ASP 186 Cb 0.48 -0.71 -0.10 0.00 -0.64 0.00 0.00 41.12 40.16 1sfj n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sfj s LYS 188 N -2.20 4.39 0.07 0.00 1.02 -1.02 -4.87 119.74 117.13 1sfj s LYS 188 Ca 0.21 1.29 0.08 0.00 0.02 0.00 0.00 55.97 57.57 1sfj s LYS 188 Cb -0.11 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1sfj s LYS 188 CO 0.14 0.10 -0.22 0.54 -0.92 0.00 0.00 175.35 174.98 1sfj s VAL 189 N -1.82 1.83 -0.17 3.17 0.11 -1.26 -1.63 120.40 120.62 1sfj s VAL 189 Ca 0.56 -1.38 -0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1sfj s VAL 189 Cb -0.16 -1.60 0.05 0.00 -1.53 0.00 0.00 36.38 33.14 1sfj s VAL 189 CO 0.21 0.15 0.01 -0.69 -3.33 0.00 0.00 175.10 171.45 1sfj s VAL 190 N -0.92 0.65 -0.11 2.04 1.01 0.65 -0.82 120.40 122.90 1sfj s VAL 190 Ca 0.09 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1sfj s VAL 190 Cb -0.09 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1sfj s VAL 190 CO 0.03 -0.08 -0.14 -0.83 0.00 0.00 0.00 175.10 174.08 1sfj s GLY 191 N 1.81 1.52 -0.09 4.51 0.00 -1.26 -0.87 107.32 112.94 1sfj s GLY 191 Ca -0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 43.79 1sfj s GLY 191 CO -0.07 -0.33 -0.02 -0.42 0.00 0.00 0.00 173.10 172.26 1sfj s ILE 192 N 0.12 0.59 -0.34 0.90 1.01 0.01 -4.76 121.20 118.74 1sfj s ILE 192 Ca -0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 1sfj s ILE 192 Cb -0.15 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1sfj s ILE 192 CO 0.05 0.27 0.25 -0.55 0.00 0.00 0.00 174.94 174.96 1sfj s SER 193 N 1.88 6.07 1.01 3.58 0.15 -1.26 -0.52 113.70 124.62 1sfj s SER 193 Ca 0.05 -0.44 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 1sfj s SER 193 Cb -0.13 -2.14 0.20 0.00 -1.71 0.00 0.00 66.02 62.24 1sfj s SER 193 CO -0.06 -0.26 1.18 -0.04 1.20 0.00 0.00 173.24 175.26 1sfj s MET 194 N 1.75 0.28 0.17 5.44 1.00 0.25 -4.23 119.30 123.96 1sfj s MET 194 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 55.69 55.75 1sfj s MET 194 Cb -0.17 -1.77 0.00 0.00 0.00 0.00 0.00 34.83 32.89 1sfj s MET 194 CO 0.11 -2.72 0.00 -1.13 0.00 0.00 0.00 175.02 171.28 1sfj n SER 195 N -4.07 -2.84 0.23 3.03 3.41 -0.39 -3.08 113.62 109.91 1sfj n SER 195 Ca 0.11 0.37 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1sfj n SER 195 Cb 0.59 -1.57 0.56 0.00 -0.26 0.00 0.00 64.21 63.53 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 -0.46 0.00 -0.11 4.33 3.64 -1.87 -1.24 116.57 120.86 1sfj h LYS 196 Ca -0.04 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1sfj h LYS 196 Cb 0.45 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1sfj h LYS 196 CO 0.02 0.20 0.08 1.25 -2.27 0.00 0.00 179.45 178.73 1sfj h LEU 197 N 0.00 0.00 -2.86 5.20 6.46 -1.94 -1.54 115.31 120.63 1sfj h LEU 197 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1sfj h LEU 197 Cb 0.41 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 1sfj h LEU 197 CO 0.03 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.46 1sfj n GLY 198 N -1.55 2.71 0.48 3.75 0.00 -0.49 -4.63 105.19 105.46 1sfj n GLY 198 Ca -0.00 -0.59 0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 3.02 0.20 -1.53 0.99 5.85 -1.03 0.20 115.31 123.00 1sfj h LEU 199 Ca 0.00 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1sfj h LEU 199 Cb 0.90 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1sfj h LEU 199 CO 0.02 0.02 0.43 -0.29 -0.34 0.00 0.00 178.44 178.29 1sfj h ILE 200 N 0.17 0.94 -0.37 4.05 -0.00 -1.82 -0.57 117.51 119.91 1sfj h ILE 200 Ca 0.59 -0.19 -0.06 0.00 -0.00 0.00 0.00 64.86 65.21 1sfj h ILE 200 Cb 1.97 0.35 -0.02 0.00 -0.00 0.00 0.00 36.82 39.12 1sfj h ILE 200 CO -0.15 0.10 -0.01 0.77 -0.00 0.00 0.00 178.15 178.86 1sfj h SER 201 N 0.54 0.56 -0.04 2.19 4.64 -0.89 -0.71 113.55 119.84 1sfj h SER 201 Ca 0.30 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 1sfj h SER 201 Cb 0.44 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1sfj h SER 201 CO -0.09 0.63 -0.48 0.03 -0.87 0.00 0.00 176.83 176.05 1sfj h ARG 202 N 0.56 0.39 0.04 4.77 3.08 -1.23 -2.81 114.38 119.19 1sfj h ARG 202 Ca 0.12 -0.37 -0.25 0.00 0.07 0.00 0.00 59.98 59.55 1sfj h ARG 202 Cb 0.37 0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.52 1sfj h ARG 202 CO 0.01 1.03 -1.05 1.79 -1.07 0.00 0.00 179.97 180.69 1sfj h THR 203 N -0.11 1.40 -0.61 2.04 1.35 -1.27 -3.31 112.91 112.41 1sfj h THR 203 Ca -0.05 -2.58 -0.31 0.00 -0.55 0.00 0.00 66.41 62.92 1sfj h THR 203 Cb 1.17 2.56 -0.18 0.00 -1.73 0.00 0.00 68.15 69.97 1sfj h THR 203 CO 0.10 0.77 0.21 0.00 -0.25 0.00 0.00 175.52 176.34 1sfj n ALA 204 N -2.56 4.82 -0.31 6.62 0.00 -0.28 -4.18 120.51 124.62 1sfj n ALA 204 Ca -0.08 -3.03 0.04 0.00 0.00 0.00 0.00 53.44 50.37 1sfj n ALA 204 Cb 0.89 -1.02 0.24 0.00 0.00 0.00 0.00 19.45 19.56 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 1.05 1.00 -0.07 0.00 5.75 -1.59 -2.29 115.11 118.95 1sfj h GLN 205 Ca 0.38 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.70 1sfj h GLN 205 Cb 2.14 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 30.45 1sfj h GLN 205 CO 0.67 0.66 -0.49 0.78 -2.65 0.00 0.00 178.83 177.80 1sfj h GLY 206 N 1.03 0.20 0.96 2.39 0.00 -1.84 0.58 103.07 106.39 1sfj h GLY 206 Ca 0.40 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.58 1sfj h GLY 206 CO -0.16 0.19 0.56 -2.08 0.00 0.00 0.00 176.54 175.04 1sfj h VAL 207 N 0.14 1.09 -0.63 4.60 2.07 -1.74 -2.47 116.25 119.31 1sfj h VAL 207 Ca 0.01 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.05 1sfj h VAL 207 Cb 0.92 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1sfj h VAL 207 CO 0.07 0.18 0.16 0.49 0.02 0.00 0.00 177.57 178.49 1sfj n PHE 208 N -4.47 2.16 -0.35 1.57 3.72 -1.16 -4.92 117.46 114.01 1sfj n PHE 208 Ca 0.12 -1.06 0.00 0.00 -0.05 0.00 0.00 57.45 56.46 1sfj n PHE 208 Cb 0.17 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.11 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 -0.02 1.08 3.76 1.37 0.00 -0.93 -3.56 105.19 106.89 1sfj n GLY 209 Ca 0.35 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.71 2.91 -0.05 -0.02 0.00 0.20 -4.55 107.32 104.11 1sfj s GLY 210 Ca 0.00 1.42 0.17 0.00 0.00 0.00 0.00 44.72 46.31 1sfj s GLY 210 CO 0.00 2.01 0.32 0.00 0.00 0.00 0.00 173.10 175.43 1sfj n ALA 211 N -0.38 2.46 -2.79 3.20 0.00 -0.00 -4.07 120.51 118.92 1sfj n ALA 211 Ca 0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 1sfj n ALA 211 Cb 0.43 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.24 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 -4.36 2.07 -0.03 0.00 1.02 -1.26 -1.48 118.68 114.64 1sfj s LEU 212 Ca -0.07 -0.21 0.01 0.00 0.02 0.00 0.00 54.13 53.88 1sfj s LEU 212 Cb 0.10 -0.22 0.02 0.00 0.02 0.00 0.00 46.19 46.11 1sfj s LEU 212 CO 0.71 -0.01 -0.01 0.28 0.02 0.00 0.00 176.35 177.33 1sfj s THR 213 N -0.44 0.23 -0.18 5.49 -1.32 -0.56 -4.75 115.64 114.10 1sfj s THR 213 Ca -0.01 0.03 -0.08 0.00 -1.21 0.00 0.00 61.69 60.42 1sfj s THR 213 Cb -0.04 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.61 1sfj s THR 213 CO -0.00 0.14 0.08 -0.31 -2.21 0.00 0.00 174.62 172.33 1sfj s TYR 214 N 0.85 3.32 0.04 9.09 1.51 -1.26 -0.38 117.35 130.52 1sfj s TYR 214 Ca -0.09 0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 1sfj s TYR 214 Cb -0.12 -2.09 -0.00 0.00 -0.11 0.00 0.00 41.96 39.64 1sfj s TYR 214 CO -0.01 0.24 0.01 0.41 -1.11 0.00 0.00 175.55 175.08 1sfj n GLY 215 N 3.40 4.09 3.60 0.71 0.00 0.81 -4.60 105.19 113.20 1sfj n GLY 215 Ca -0.17 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.48 1sfj n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfj n ILE 217 N -0.96 0.96 0.00 0.00 0.13 -1.26 -0.25 119.36 117.98 1sfj n ILE 217 Ca -0.08 -0.98 0.00 0.00 -1.10 0.00 0.00 62.75 60.59 1sfj n ILE 217 Cb 0.67 0.53 0.00 0.00 -0.84 0.00 0.00 39.64 40.00 1sfj n ILE 217 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1sfj n GLY 218 N 0.50 -2.13 3.61 4.50 0.00 -1.26 -5.00 105.19 105.41 1sfj n GLY 218 Ca 0.11 0.70 -0.34 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 2.91 0.16 1.61 2.56 -1.26 -4.90 118.70 119.78 1sfj s GLU 219 Ca 0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 54.97 54.13 1sfj s GLU 219 Cb 0.00 -2.69 -0.14 0.00 2.00 0.00 0.00 34.13 33.31 1sfj s GLU 219 CO 0.00 0.64 1.57 -0.35 -0.56 0.00 0.00 175.26 176.56 1sfj n PRO 220 N 2.31 2.13 0.02 4.30 -0.04 -1.26 -4.85 135.00 137.61 1sfj n PRO 220 Ca -0.18 0.77 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 1sfj n PRO 220 Cb 0.53 -2.53 0.24 0.00 -0.04 0.00 0.00 33.50 31.69 1sfj n PRO 220 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1sfj n GLN 221 N 3.40 0.10 -3.74 0.54 1.13 -1.26 -4.91 117.38 112.64 1sfj n GLN 221 Ca 0.17 0.03 -0.11 0.00 -1.94 0.00 0.00 57.00 55.15 1sfj n GLN 221 Cb 0.29 -1.56 -0.06 0.00 0.11 0.00 0.00 30.24 29.01 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 -3.06 -0.67 -0.13 -1.58 0.00 -1.26 -5.10 121.76 109.96 1sfj s ALA 222 Ca 0.09 -0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.60 1sfj s ALA 222 Cb 0.16 0.48 -0.09 0.00 0.00 0.00 0.00 23.12 23.67 1sfj s ALA 222 CO 0.70 -0.51 2.07 -2.30 0.00 0.00 0.00 175.76 175.72 1sfj n PRO 223 N 0.17 2.18 0.00 0.00 -0.02 -1.26 -2.42 135.00 133.66 1sfj n PRO 223 Ca -0.17 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1sfj n PRO 223 Cb 0.61 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1sfj n PRO 223 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sfj n GLY 224 N 5.17 0.05 3.77 -1.23 0.00 -1.26 -1.26 105.19 110.43 1sfj n GLY 224 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.97 3.77 0.33 1.61 -0.21 -1.01 -4.80 119.66 118.38 1sfj s GLN 225 Ca 0.00 1.75 0.06 0.00 0.02 0.00 0.00 55.36 57.19 1sfj s GLN 225 Cb 0.00 -2.40 -0.07 0.00 1.00 0.00 0.00 33.01 31.54 1sfj s GLN 225 CO 0.00 -0.53 0.01 0.96 -2.12 0.00 0.00 175.29 173.60 1sfj s ILE 226 N -1.56 1.55 0.24 1.08 -0.00 -1.26 -4.67 121.20 116.58 1sfj s ILE 226 Ca 0.63 -2.04 -0.31 0.00 -0.00 0.00 0.00 60.65 58.93 1sfj s ILE 226 Cb -0.28 -2.73 -0.13 0.00 -0.00 0.00 0.00 42.46 39.32 1sfj s ILE 226 CO 0.34 -0.10 1.46 -0.67 -0.00 0.00 0.00 174.94 175.97 1sfj n ASP 227 N -0.72 3.02 0.25 4.36 2.03 -1.26 -0.20 116.55 124.02 1sfj n ASP 227 Ca -0.04 1.14 0.18 0.00 0.52 0.00 0.00 54.79 56.59 1sfj n ASP 227 Cb 0.66 -1.46 0.89 0.00 -0.72 0.00 0.00 41.12 40.48 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 3.17 0.26 -0.51 5.18 -1.51 -0.91 0.22 116.25 122.14 1sfj h VAL 228 Ca -0.45 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.89 1sfj h VAL 228 Cb 1.26 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1sfj h VAL 228 CO 0.78 0.00 -0.17 0.74 -1.23 0.00 0.00 177.57 177.69 1sfj h THR 229 N 0.00 1.27 0.03 7.19 2.02 -1.88 0.17 112.91 121.70 1sfj h THR 229 Ca 0.06 -1.33 -0.14 0.00 0.77 0.00 0.00 66.41 65.77 1sfj h THR 229 Cb 0.51 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1sfj h THR 229 CO -0.00 0.46 -0.55 0.44 0.37 0.00 0.00 175.52 176.24 1sfj h ASP 230 N 0.88 0.43 -0.99 4.18 3.32 -1.06 -2.91 116.42 120.27 1sfj h ASP 230 Ca 0.12 -0.82 0.11 0.00 0.02 0.00 0.00 57.03 56.46 1sfj h ASP 230 Cb 0.74 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.08 1sfj h ASP 230 CO 0.06 1.20 0.63 0.25 -1.72 0.00 0.00 179.24 179.66 1sfj h LEU 231 N -0.29 0.93 -0.47 1.55 5.85 -0.73 0.33 115.31 122.49 1sfj h LEU 231 Ca -0.08 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1sfj h LEU 231 Cb 1.31 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1sfj h LEU 231 CO 0.11 0.52 0.10 0.50 -0.34 0.00 0.00 178.44 179.33 1sfj h LYS 232 N 1.01 0.76 -0.73 1.25 1.63 -0.70 -0.73 116.57 119.06 1sfj h LYS 232 Ca 0.47 -0.19 0.02 0.00 -0.85 0.00 0.00 60.65 60.11 1sfj h LYS 232 Cb 0.42 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.92 1sfj h LYS 232 CO -0.23 0.76 0.47 0.00 -3.45 0.00 0.00 179.45 176.99 1sfj h ALA 233 N 0.97 0.95 0.04 5.00 0.00 -0.92 -2.02 119.26 123.28 1sfj h ALA 233 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sfj h ALA 233 Cb 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sfj h ALA 233 CO 0.00 0.28 -0.02 1.96 0.00 0.00 0.00 179.25 181.48 1sfj h GLN 234 N 0.93 -0.05 0.00 0.00 1.08 -0.62 -2.65 115.11 113.79 1sfj h GLN 234 Ca 0.29 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1sfj h GLN 234 Cb -0.03 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1sfj h GLN 234 CO -0.09 0.13 -0.01 0.28 -0.95 0.00 0.00 178.83 178.19 1sfj h VAL 235 N -0.22 0.40 -0.05 -0.54 2.07 -0.96 -0.47 116.25 116.48 1sfj h VAL 235 Ca -0.01 -0.03 -0.16 0.00 0.82 0.00 0.00 66.70 67.32 1sfj h VAL 235 Cb 0.20 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1sfj h VAL 235 CO 0.01 0.01 -0.69 0.74 0.02 0.00 0.00 177.57 177.65 1sfj h THR 236 N 0.00 1.42 -0.16 2.57 2.02 -1.03 -3.28 112.91 114.45 1sfj h THR 236 Ca -0.00 -2.17 -0.03 0.00 0.77 0.00 0.00 66.41 64.98 1sfj h THR 236 Cb 0.02 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1sfj h THR 236 CO 0.00 0.64 -0.02 0.25 0.37 0.00 0.00 175.52 176.77 1sfj h LEU 237 N 0.17 0.29 -0.40 2.58 6.46 -0.84 -3.52 115.31 120.06 1sfj h LEU 237 Ca -0.02 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 1sfj h LEU 237 Cb 1.24 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1sfj h LEU 237 CO 0.11 0.56 0.00 -1.22 -0.62 0.00 0.00 178.44 177.27