#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfl s VAL 4 N 0.00 4.96 -0.18 3.57 1.01 -1.26 -4.84 120.40 123.65 1sfl s VAL 4 Ca 0.00 1.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.56 1sfl s VAL 4 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1sfl s VAL 4 CO 0.00 0.20 0.42 -1.61 0.00 0.00 0.00 175.10 174.11 1sfl s GLU 5 N 0.93 4.21 -0.12 2.72 2.02 0.01 -4.95 118.70 123.52 1sfl s GLU 5 Ca 0.44 0.26 -0.27 0.00 0.02 0.00 0.00 54.97 55.43 1sfl s GLU 5 Cb -0.19 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 1sfl s GLU 5 CO 0.23 0.00 0.88 0.08 0.02 0.00 0.00 175.26 176.47 1sfl s VAL 6 N 1.17 4.87 -0.15 2.63 1.01 -1.26 -1.86 120.40 126.82 1sfl s VAL 6 Ca 0.21 1.76 -0.07 0.00 0.00 0.00 0.00 61.98 63.87 1sfl s VAL 6 Cb -0.15 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1sfl s VAL 6 CO 0.08 0.06 0.11 -0.69 0.00 0.00 0.00 175.10 174.66 1sfl s VAL 7 N 1.85 5.25 -0.25 2.92 1.01 0.17 -1.86 120.40 129.51 1sfl s VAL 7 Ca 0.42 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 1sfl s VAL 7 Cb -0.18 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1sfl s VAL 7 CO 0.16 0.54 -0.03 0.00 0.00 0.00 0.00 175.10 175.78 1sfl s ALA 8 N -0.42 2.81 -0.19 5.51 0.00 -0.53 0.49 121.76 129.44 1sfl s ALA 8 Ca 0.11 -1.36 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 1sfl s ALA 8 Cb -0.12 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 1sfl s ALA 8 CO 0.02 -0.70 0.27 0.99 0.00 0.00 0.00 175.76 176.34 1sfl s THR 9 N 1.42 5.31 0.14 0.00 2.01 -0.90 -0.33 115.64 123.29 1sfl s THR 9 Ca 0.03 0.48 0.08 0.00 0.31 0.00 0.00 61.69 62.58 1sfl s THR 9 Cb -0.16 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1sfl s THR 9 CO -0.03 0.36 -0.18 0.27 -0.69 0.00 0.00 174.62 174.36 1sfl s ILE 10 N 0.70 1.68 -0.42 1.82 -4.36 -0.46 -4.46 121.20 115.71 1sfl s ILE 10 Ca 0.15 -1.79 0.06 0.00 -0.26 0.00 0.00 60.65 58.81 1sfl s ILE 10 Cb -0.13 -1.71 0.22 0.00 1.25 0.00 0.00 42.46 42.09 1sfl s ILE 10 CO 0.04 -0.29 0.54 0.41 0.24 0.00 0.00 174.94 175.88 1sfl n THR 11 N 0.51 -0.69 0.00 8.37 -1.04 -1.26 -1.76 114.28 118.40 1sfl n THR 11 Ca -0.15 -3.22 0.00 0.00 -2.04 0.00 0.00 64.05 58.64 1sfl n THR 11 Cb 0.56 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 1sfl n THR 11 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1sfl n PRO 12 N 1.98 1.69 -2.81 -2.82 -0.04 -1.26 -5.06 135.00 126.68 1sfl n PRO 12 Ca 0.22 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.64 1sfl n PRO 12 Cb 0.53 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.00 1sfl n PRO 12 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1sfl s GLN 13 N 0.00 0.97 -0.56 0.54 -1.52 -1.26 -4.94 119.66 112.89 1sfl s GLN 13 Ca 0.00 -0.89 0.00 0.00 -1.95 0.00 0.00 55.36 52.52 1sfl s GLN 13 Cb 0.00 -0.03 0.00 0.00 -0.22 0.00 0.00 33.01 32.76 1sfl s GLN 13 CO 0.00 -1.21 0.00 1.28 -0.25 0.00 0.00 175.29 175.11 1sfl n LEU 14 N 3.09 -0.36 0.00 2.90 7.99 -1.26 -5.21 117.00 124.15 1sfl n LEU 14 Ca 0.16 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.30 1sfl n LEU 14 Cb 0.57 -1.15 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 1sfl n LEU 14 CO -0.02 -0.30 0.00 1.21 -1.51 0.00 0.00 177.39 176.76 1sfl n GLU 18 N -1.23 2.31 0.27 3.23 2.13 -1.26 -4.98 120.64 121.11 1sfl n GLU 18 Ca -0.05 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.88 1sfl n GLU 18 Cb 0.19 -0.19 0.74 0.00 0.27 0.00 0.00 31.44 32.45 1sfl n GLU 18 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sfl h THR 19 N 0.00 0.74 0.02 6.31 1.03 -2.06 -0.38 112.91 118.57 1sfl h THR 19 Ca 0.00 -0.25 -0.22 0.00 -0.01 0.00 0.00 66.41 65.93 1sfl h THR 19 Cb 0.00 1.15 0.02 0.00 -1.07 0.00 0.00 68.15 68.25 1sfl h THR 19 CO 0.00 0.06 -0.88 0.25 -0.01 0.00 0.00 175.52 174.94 1sfl h LEU 20 N 0.00 0.74 -1.60 0.00 6.46 -2.04 -2.72 115.31 116.15 1sfl h LEU 20 Ca -0.00 -0.77 0.16 0.00 -0.12 0.00 0.00 57.88 57.15 1sfl h LEU 20 Cb 0.14 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 39.79 1sfl h LEU 20 CO 0.01 1.42 0.51 0.40 -0.62 0.00 0.00 178.44 180.16 1sfl h ILE 21 N 0.15 0.77 0.18 4.05 1.08 -1.53 0.24 117.51 122.45 1sfl h ILE 21 Ca -0.12 -0.13 -0.27 0.00 -0.39 0.00 0.00 64.86 63.95 1sfl h ILE 21 Cb 1.57 0.35 0.03 0.00 -3.07 0.00 0.00 36.82 35.71 1sfl h ILE 21 CO 0.17 0.07 -1.18 -0.61 -0.69 0.00 0.00 178.15 175.92 1sfl h GLN 22 N 0.38 0.48 0.00 2.37 4.15 -1.34 -2.82 115.11 118.33 1sfl h GLN 22 Ca 0.38 -0.76 -0.06 0.00 0.77 0.00 0.00 58.65 58.99 1sfl h GLN 22 Cb 0.93 0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 1sfl h GLN 22 CO -0.12 1.35 -0.26 0.87 -1.93 0.00 0.00 178.83 178.74 1sfl h LYS 23 N -0.01 0.00 0.14 1.69 1.57 -0.96 -1.34 116.57 117.66 1sfl h LYS 23 Ca -0.20 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.31 1sfl h LYS 23 Cb 1.91 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.25 1sfl h LYS 23 CO 0.22 0.26 -1.13 -0.84 -0.57 0.00 0.00 179.45 177.39 1sfl h ILE 24 N 0.00 1.34 0.00 1.86 -0.00 -1.07 -3.06 117.51 116.58 1sfl h ILE 24 Ca -0.00 -2.48 -0.04 0.00 -0.00 0.00 0.00 64.86 62.34 1sfl h ILE 24 Cb 0.58 2.86 -0.01 0.00 -0.00 0.00 0.00 36.82 40.25 1sfl h ILE 24 CO 0.03 0.74 -0.20 -1.13 -0.00 0.00 0.00 178.15 177.59 1sfl h ASN 25 N 0.08 0.00 -0.57 2.16 -1.24 -1.23 0.36 115.58 115.13 1sfl h ASN 25 Ca -0.18 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.73 1sfl h ASN 25 Cb 1.85 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.88 1sfl h ASN 25 CO 0.22 0.20 -0.02 -0.74 -1.29 0.00 0.00 177.43 175.80 1sfl h HIS 26 N 0.00 1.12 -0.61 0.67 2.76 -1.25 -2.88 115.15 114.97 1sfl h HIS 26 Ca -0.00 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1sfl h HIS 26 Cb 0.44 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1sfl h HIS 26 CO 0.00 1.01 0.00 0.54 -1.30 0.00 0.00 177.93 178.18 1sfl n ARG 27 N -4.21 4.18 -0.02 5.26 1.74 -0.73 -4.60 116.66 118.27 1sfl n ARG 27 Ca 0.02 -3.00 0.24 0.00 -0.77 0.00 0.00 57.85 54.34 1sfl n ARG 27 Cb 0.35 -2.04 0.72 0.00 -1.02 0.00 0.00 32.46 30.47 1sfl n ARG 27 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1sfl h ILE 28 N 3.96 0.42 0.00 0.55 2.10 -0.72 0.25 117.51 124.07 1sfl h ILE 28 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1sfl h ILE 28 Cb 1.67 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 1sfl h ILE 28 CO 0.34 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.85 1sfl h ASP 29 N 0.00 0.00 -0.00 2.19 3.32 -1.84 -3.17 116.42 116.92 1sfl h ASP 29 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1sfl h ASP 29 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1sfl h ASP 29 CO -0.00 0.00 -0.30 0.00 -1.72 0.00 0.00 179.24 177.21 1sfl n ALA 30 N -2.00 3.17 -2.74 3.45 0.00 0.06 -4.91 120.51 117.54 1sfl n ALA 30 Ca 0.04 -0.63 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 1sfl n ALA 30 Cb 0.45 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 1sfl n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sfl s ILE 31 N -2.32 4.89 -0.14 0.00 1.01 -1.15 -4.63 121.20 118.86 1sfl s ILE 31 Ca 0.22 -0.26 0.18 0.00 0.00 0.00 0.00 60.65 60.79 1sfl s ILE 31 Cb 0.19 -3.46 -0.26 0.00 0.01 0.00 0.00 42.46 38.94 1sfl s ILE 31 CO 0.48 0.09 0.18 0.47 0.00 0.00 0.00 174.94 176.15 1sfl n ASP 32 N 5.03 0.29 -3.83 3.58 8.00 -0.77 -4.59 116.55 124.26 1sfl n ASP 32 Ca -0.14 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.23 1sfl n ASP 32 Cb 0.50 1.25 -0.14 0.00 -0.02 0.00 0.00 41.12 42.71 1sfl n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sfl s VAL 33 N -2.74 -0.02 -0.39 2.53 1.01 -0.83 -1.38 120.40 118.58 1sfl s VAL 33 Ca -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1sfl s VAL 33 Cb 0.08 -0.06 0.09 0.00 0.00 0.00 0.00 36.38 36.49 1sfl s VAL 33 CO 0.80 0.03 0.17 -0.22 0.00 0.00 0.00 175.10 175.88 1sfl s LEU 34 N 0.34 4.96 -0.32 3.92 2.96 -0.40 -1.45 118.68 128.69 1sfl s LEU 34 Ca -0.03 -1.82 -0.29 0.00 -0.22 0.00 0.00 54.13 51.78 1sfl s LEU 34 Cb -0.04 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.85 1sfl s LEU 34 CO -0.01 -0.48 1.08 -0.70 -1.32 0.00 0.00 176.35 174.92 1sfl s GLU 35 N 1.19 4.06 -0.51 1.98 2.12 0.55 -2.06 118.70 126.04 1sfl s GLU 35 Ca 0.05 1.07 -0.15 0.00 0.36 0.00 0.00 54.97 56.31 1sfl s GLU 35 Cb -0.22 -3.74 0.11 0.00 0.26 0.00 0.00 34.13 30.54 1sfl s GLU 35 CO -0.03 -0.91 0.45 -1.17 -0.54 0.00 0.00 175.26 173.06 1sfl s LEU 36 N 3.67 5.97 0.16 2.70 1.98 0.29 -1.35 118.68 132.10 1sfl s LEU 36 Ca 0.46 -1.69 -0.30 0.00 -2.89 0.00 0.00 54.13 49.71 1sfl s LEU 36 Cb -0.12 -2.17 -0.07 0.00 0.66 0.00 0.00 46.19 44.48 1sfl s LEU 36 CO 0.16 -0.78 0.95 -0.13 -1.89 0.00 0.00 176.35 174.66 1sfl s ARG 37 N 1.58 4.76 0.00 1.98 1.81 -0.73 -0.21 118.95 128.14 1sfl s ARG 37 Ca 0.04 1.47 0.00 0.00 -1.72 0.00 0.00 55.73 55.51 1sfl s ARG 37 Cb -0.28 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 30.88 1sfl s ARG 37 CO 0.03 0.33 0.00 0.44 -0.68 0.00 0.00 175.30 175.42 1sfl n ILE 38 N 2.29 0.00 0.06 1.52 -5.35 0.55 -4.61 119.36 113.82 1sfl n ILE 38 Ca 0.01 -0.45 0.01 0.00 -0.27 0.00 0.00 62.75 62.04 1sfl n ILE 38 Cb 0.48 0.99 0.03 0.00 -1.74 0.00 0.00 39.64 39.40 1sfl n ILE 38 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1sfl n ASP 39 N -0.93 0.00 -0.59 7.28 5.75 -1.25 -1.25 116.55 125.56 1sfl n ASP 39 Ca 0.00 0.32 0.07 0.00 -0.01 0.00 0.00 54.79 55.17 1sfl n ASP 39 Cb 0.00 -0.33 0.22 0.00 -1.03 0.00 0.00 41.12 39.98 1sfl n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sfl n GLN 40 N -1.33 1.74 -4.81 0.11 0.00 -1.26 -2.76 117.38 109.07 1sfl n GLN 40 Ca 0.01 -1.15 -0.33 0.00 0.00 0.00 0.00 57.00 55.53 1sfl n GLN 40 Cb 0.01 -1.30 -0.14 0.00 0.00 0.00 0.00 30.24 28.81 1sfl n GLN 40 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1sfl s PHE 41 N -1.63 2.79 -0.06 2.61 2.99 -0.38 -5.04 117.98 119.27 1sfl s PHE 41 Ca 0.25 -0.56 -0.30 0.00 0.00 0.00 0.00 56.93 56.32 1sfl s PHE 41 Cb 0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 43.02 41.32 1sfl s PHE 41 CO 0.18 -0.14 1.19 -1.83 -0.00 0.00 0.00 175.22 174.62 1sfl s GLU 42 N 0.16 4.36 -0.90 0.44 1.03 -1.26 -3.84 118.70 118.69 1sfl s GLU 42 Ca -0.07 1.65 -0.05 0.00 0.03 0.00 0.00 54.97 56.54 1sfl s GLU 42 Cb -0.15 -3.55 -0.03 0.00 -0.80 0.00 0.00 34.13 29.60 1sfl s GLU 42 CO 0.05 -0.43 0.78 0.09 -1.33 0.00 0.00 175.26 174.42 1sfl n ASN 43 N 5.14 -6.92 -4.72 0.83 3.02 -1.26 -4.93 115.26 106.43 1sfl n ASN 43 Ca 0.11 -0.47 -0.42 0.00 -0.03 0.00 0.00 54.58 53.77 1sfl n ASN 43 Cb 0.46 -4.80 -0.03 0.00 -0.61 0.00 0.00 39.78 34.79 1sfl n ASN 43 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1sfl s VAL 44 N -3.19 4.40 0.05 2.41 -7.23 -1.25 -5.04 120.40 110.56 1sfl s VAL 44 Ca 0.22 1.83 0.06 0.00 -1.81 0.00 0.00 61.98 62.28 1sfl s VAL 44 Cb -0.04 -4.17 -0.03 0.00 0.56 0.00 0.00 36.38 32.69 1sfl s VAL 44 CO 0.77 0.20 -0.14 0.42 -0.31 0.00 0.00 175.10 176.04 1sfl s THR 45 N 0.59 3.11 0.64 5.32 -4.23 -1.26 -4.99 115.64 114.82 1sfl s THR 45 Ca 0.52 -1.13 0.36 0.00 -1.18 0.00 0.00 61.69 60.26 1sfl s THR 45 Cb -0.25 -2.36 0.39 0.00 1.34 0.00 0.00 72.50 71.62 1sfl s THR 45 CO 0.30 0.29 2.20 0.58 -0.54 0.00 0.00 174.62 177.45 1sfl h VAL 46 N 3.73 0.16 -0.08 2.29 2.07 -1.95 -1.18 116.25 121.30 1sfl h VAL 46 Ca -0.48 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 1sfl h VAL 46 Cb 1.16 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1sfl h VAL 46 CO 0.50 0.00 -0.22 0.44 0.02 0.00 0.00 177.57 178.31 1sfl h ASP 47 N 0.00 0.33 -0.71 0.57 5.19 -1.98 -1.70 116.42 118.12 1sfl h ASP 47 Ca 0.02 -0.59 -0.04 0.00 -0.62 0.00 0.00 57.03 55.79 1sfl h ASP 47 Cb 0.26 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 1sfl h ASP 47 CO -0.00 0.86 0.28 1.56 -3.12 0.00 0.00 179.24 178.82 1sfl h GLN 48 N -0.19 1.08 -0.33 3.56 4.20 -1.65 -1.35 115.11 120.43 1sfl h GLN 48 Ca -0.00 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.54 1sfl h GLN 48 Cb 0.83 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 1sfl h GLN 48 CO 0.05 0.88 0.15 0.28 -0.67 0.00 0.00 178.83 179.52 1sfl h VAL 49 N 1.05 0.96 -0.71 -0.54 2.07 -1.33 -1.36 116.25 116.39 1sfl h VAL 49 Ca 0.24 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1sfl h VAL 49 Cb 0.22 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1sfl h VAL 49 CO -0.02 0.06 0.38 0.00 0.02 0.00 0.00 177.57 178.01 1sfl h ALA 50 N 1.19 1.33 -0.36 1.67 0.00 -0.82 -1.82 119.26 120.45 1sfl h ALA 50 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sfl h ALA 50 Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1sfl h ALA 50 CO -0.12 0.54 0.24 0.93 0.00 0.00 0.00 179.25 180.84 1sfl h GLU 51 N 1.00 0.47 -0.10 0.00 4.39 -0.32 -2.32 114.58 117.69 1sfl h GLU 51 Ca 0.25 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1sfl h GLU 51 Cb 0.03 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1sfl h GLU 51 CO -0.04 0.31 0.01 0.52 -1.16 0.00 0.00 179.01 178.65 1sfl h MET 52 N 0.49 0.18 -0.65 2.33 2.86 -0.99 -2.93 114.93 116.22 1sfl h MET 52 Ca 0.13 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 1sfl h MET 52 Cb -0.05 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.52 1sfl h MET 52 CO -0.03 0.40 0.28 0.82 1.06 0.00 0.00 176.91 179.44 1sfl h ILE 53 N -0.07 0.80 0.00 -1.22 2.04 -1.25 -0.89 117.51 116.91 1sfl h ILE 53 Ca 0.03 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1sfl h ILE 53 Cb 0.32 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1sfl h ILE 53 CO 0.00 0.09 -0.23 0.71 0.00 0.00 0.00 178.15 178.72 1sfl h THR 54 N 0.49 1.09 0.00 -0.27 1.35 -1.41 0.94 112.91 115.10 1sfl h THR 54 Ca 0.33 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1sfl h THR 54 Cb 0.38 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1sfl h THR 54 CO -0.29 0.23 0.00 0.11 -0.25 0.00 0.00 175.52 175.32 1sfl h LYS 55 N 0.00 0.00 0.00 4.72 1.57 -0.99 -3.34 116.57 118.53 1sfl h LYS 55 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sfl h LYS 55 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1sfl h LYS 55 CO 0.03 0.00 -0.73 1.28 -0.57 0.00 0.00 179.45 179.46 1sfl n LEU 56 N -2.44 1.51 -4.70 2.94 4.77 -0.72 -5.10 117.00 113.26 1sfl n LEU 56 Ca 0.04 0.30 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 1sfl n LEU 56 Cb 0.40 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1sfl n LEU 56 CO 0.29 -0.34 1.00 1.17 -1.33 0.00 0.00 177.39 178.17 1sfl n LYS 57 N -4.05 2.18 -2.69 3.23 4.81 0.25 -5.11 118.16 116.77 1sfl n LYS 57 Ca -0.10 0.77 -0.06 0.00 -0.87 0.00 0.00 58.31 58.05 1sfl n LYS 57 Cb 0.38 -2.41 0.11 0.00 0.02 0.00 0.00 35.03 33.12 1sfl n LYS 57 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1sfl n ASP 61 N 1.51 -1.38 0.00 3.14 5.68 -1.26 -5.07 116.55 119.17 1sfl n ASP 61 Ca 0.08 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.94 1sfl n ASP 61 Cb 0.34 0.76 0.00 0.00 -1.14 0.00 0.00 41.12 41.08 1sfl n ASP 61 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1sfl n SER 62 N -0.71 1.78 -3.73 -1.12 7.64 -1.26 -5.05 113.62 111.18 1sfl n SER 62 Ca -0.04 -1.79 -0.12 0.00 1.01 0.00 0.00 58.87 57.93 1sfl n SER 62 Cb 0.85 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.98 1sfl n SER 62 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1sfl s PHE 63 N -0.79 -0.16 0.70 1.43 -0.71 -1.26 -4.76 117.98 112.42 1sfl s PHE 63 Ca 0.00 0.06 -0.11 0.00 -1.04 0.00 0.00 56.93 55.84 1sfl s PHE 63 Cb 0.00 0.13 0.01 0.00 -1.21 0.00 0.00 43.02 41.95 1sfl s PHE 63 CO 0.00 -0.52 1.06 0.15 -1.34 0.00 0.00 175.22 174.57 1sfl s LYS 64 N -2.49 2.91 -0.27 1.99 1.02 -0.48 -4.87 119.74 117.56 1sfl s LYS 64 Ca -0.05 0.88 -0.00 0.00 0.02 0.00 0.00 55.97 56.82 1sfl s LYS 64 Cb -0.01 -1.99 0.05 0.00 -0.52 0.00 0.00 37.83 35.35 1sfl s LYS 64 CO -0.03 -1.10 -0.05 -1.17 -0.92 0.00 0.00 175.35 172.08 1sfl s LEU 65 N -5.53 3.55 -0.19 3.17 2.96 -1.26 -1.28 118.68 120.10 1sfl s LEU 65 Ca 0.58 -1.20 -0.09 0.00 -0.22 0.00 0.00 54.13 53.20 1sfl s LEU 65 Cb -0.14 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1sfl s LEU 65 CO 0.55 -0.20 0.11 -0.22 -1.32 0.00 0.00 176.35 175.27 1sfl s LEU 66 N 1.23 4.11 -0.20 -0.68 2.96 -0.87 -0.74 118.68 124.49 1sfl s LEU 66 Ca -0.05 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1sfl s LEU 66 Cb -0.19 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1sfl s LEU 66 CO -0.03 0.18 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.46 1sfl s VAL 67 N 0.33 3.66 -0.11 1.68 1.01 -0.61 0.11 120.40 126.47 1sfl s VAL 67 Ca 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1sfl s VAL 67 Cb -0.11 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1sfl s VAL 67 CO -0.01 0.43 -0.16 -0.89 0.00 0.00 0.00 175.10 174.47 1sfl s THR 68 N 1.11 1.54 -0.39 3.92 2.01 0.71 -2.66 115.64 121.88 1sfl s THR 68 Ca 0.02 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 1sfl s THR 68 Cb -0.15 -1.40 0.10 0.00 0.01 0.00 0.00 72.50 71.06 1sfl s THR 68 CO 0.00 0.45 0.16 -0.47 -0.69 0.00 0.00 174.62 174.08 1sfl s TYR 69 N 0.95 3.59 -0.35 4.92 6.14 -1.26 -0.33 117.35 131.01 1sfl s TYR 69 Ca -0.07 -2.47 -0.17 0.00 0.64 0.00 0.00 57.07 55.00 1sfl s TYR 69 Cb -0.15 -3.09 -0.01 0.00 0.42 0.00 0.00 41.96 39.14 1sfl s TYR 69 CO -0.01 -0.96 0.47 0.50 0.64 0.00 0.00 175.55 176.19 1sfl s ARG 70 N 1.11 3.60 0.48 4.97 6.06 -1.26 -4.90 118.95 129.01 1sfl s ARG 70 Ca 0.08 -0.24 -0.22 0.00 -2.50 0.00 0.00 55.73 52.85 1sfl s ARG 70 Cb -0.22 -3.81 -0.07 0.00 0.06 0.00 0.00 34.95 30.91 1sfl s ARG 70 CO -0.05 -0.61 1.13 0.95 -2.50 0.00 0.00 175.30 174.22 1sfl s THR 71 N 2.28 3.25 0.27 4.11 -4.23 -1.26 -1.86 115.64 118.19 1sfl s THR 71 Ca 0.17 0.88 -0.05 0.00 -1.18 0.00 0.00 61.69 61.51 1sfl s THR 71 Cb -0.16 -3.42 0.34 0.00 1.34 0.00 0.00 72.50 70.60 1sfl s THR 71 CO 0.13 -0.06 1.60 0.50 -0.54 0.00 0.00 174.62 176.25 1sfl h LYS 72 N 1.85 0.05 -0.61 3.99 1.63 -1.38 0.00 116.57 122.11 1sfl h LYS 72 Ca -0.49 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.40 1sfl h LYS 72 Cb 1.24 -0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 32.75 1sfl h LYS 72 CO 0.60 0.03 -0.38 1.25 -3.45 0.00 0.00 179.45 177.50 1sfl h LEU 73 N 0.05 -1.30 -3.60 5.20 5.85 -1.86 -1.98 115.31 117.67 1sfl h LEU 73 Ca 0.47 0.24 -0.36 0.00 0.84 0.00 0.00 57.88 59.06 1sfl h LEU 73 Cb 0.85 0.62 -0.15 0.00 0.37 0.00 0.00 40.66 42.35 1sfl h LEU 73 CO -0.79 -0.32 0.44 0.00 -0.34 0.00 0.00 178.44 177.43 1sfl n GLN 74 N -5.43 1.92 -0.53 1.25 6.02 -0.09 -4.80 117.38 115.73 1sfl n GLN 74 Ca 0.03 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.28 1sfl n GLN 74 Cb 0.36 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1sfl n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sfl n GLY 75 N 0.31 1.20 0.00 1.08 0.00 -0.74 -4.81 105.19 102.23 1sfl n GLY 75 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1sfl n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfl n GLY 76 N -2.00 1.27 0.00 -0.02 0.00 -0.76 -4.95 105.19 98.73 1sfl n GLY 76 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1sfl n GLY 76 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sfl n TYR 77 N 0.00 0.00 -1.48 1.61 4.01 -1.04 -4.11 117.16 116.14 1sfl n TYR 77 Ca 0.00 0.00 -0.54 0.00 -0.16 0.00 0.00 57.90 57.20 1sfl n TYR 77 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 1sfl n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sfl n GLY 78 N 1.83 0.48 2.73 2.72 0.00 -0.78 -4.44 105.19 107.74 1sfl n GLY 78 Ca 0.00 0.97 -0.37 0.00 0.00 0.00 0.00 46.02 46.62 1sfl n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sfl n GLN 79 N 7.34 4.76 -4.19 1.61 6.02 -1.26 -1.40 117.38 130.26 1sfl n GLN 79 Ca 0.40 -4.72 -0.26 0.00 -0.01 0.00 0.00 57.00 52.41 1sfl n GLN 79 Cb 0.16 -2.41 -0.07 0.00 1.02 0.00 0.00 30.24 28.94 1sfl n GLN 79 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1sfl s PHE 80 N -3.99 2.88 0.91 1.08 2.99 -1.26 -5.04 117.98 115.54 1sfl s PHE 80 Ca 0.41 -0.13 -0.11 0.00 0.00 0.00 0.00 56.93 57.11 1sfl s PHE 80 Cb 0.21 -1.38 0.14 0.00 0.00 0.00 0.00 43.02 41.98 1sfl s PHE 80 CO -0.12 0.52 1.11 0.99 -0.00 0.00 0.00 175.22 177.72 1sfl s THR 81 N -1.77 2.48 0.38 0.64 2.01 -1.26 -4.75 115.64 113.38 1sfl s THR 81 Ca 0.28 0.16 0.13 0.00 0.31 0.00 0.00 61.69 62.56 1sfl s THR 81 Cb -0.09 -2.39 0.11 0.00 0.01 0.00 0.00 72.50 70.14 1sfl s THR 81 CO 0.19 -0.21 1.85 -1.13 -0.69 0.00 0.00 174.62 174.64 1sfl h ASN 82 N -1.74 0.02 -0.02 3.53 -1.24 -1.99 -0.22 115.58 113.93 1sfl h ASN 82 Ca -0.47 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.52 1sfl h ASN 82 Cb 1.27 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 40.32 1sfl h ASN 82 CO 0.48 0.35 -0.03 0.44 -1.29 0.00 0.00 177.43 177.38 1sfl h ASP 83 N 0.02 0.07 0.71 1.15 3.32 -1.98 -0.67 116.42 119.04 1sfl h ASP 83 Ca 0.00 -0.54 -0.08 0.00 0.02 0.00 0.00 57.03 56.43 1sfl h ASP 83 Cb 0.60 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1sfl h ASP 83 CO 0.04 0.59 -0.38 0.77 -1.72 0.00 0.00 179.24 178.55 1sfl h SER 84 N -0.45 0.00 0.11 6.45 4.64 -1.89 -1.33 113.55 121.08 1sfl h SER 84 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1sfl h SER 84 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1sfl h SER 84 CO 0.01 0.38 -0.05 0.22 -0.87 0.00 0.00 176.83 176.51 1sfl h TYR 85 N 0.00 -0.14 0.00 4.77 3.20 -1.02 0.30 116.97 124.08 1sfl h TYR 85 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1sfl h TYR 85 Cb 0.84 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 1sfl h TYR 85 CO 0.00 0.33 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.71 1sfl h LEU 86 N -0.72 0.00 0.02 2.82 3.38 -1.07 -1.31 115.31 118.43 1sfl h LEU 86 Ca -0.02 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1sfl h LEU 86 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1sfl h LEU 86 CO 0.03 0.07 -1.37 0.78 0.09 0.00 0.00 178.44 178.04 1sfl h ASN 87 N 0.00 0.05 -0.49 -0.43 2.35 -1.20 -2.91 115.58 112.96 1sfl h ASN 87 Ca -0.00 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 1sfl h ASN 87 Cb 0.31 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1sfl h ASN 87 CO 0.01 1.06 0.04 0.25 -1.65 0.00 0.00 177.43 177.14 1sfl h LEU 88 N 0.01 0.81 -0.88 1.61 5.85 -0.05 -1.88 115.31 120.80 1sfl h LEU 88 Ca -0.16 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.19 1sfl h LEU 88 Cb 1.90 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 1sfl h LEU 88 CO 0.11 0.90 -0.12 0.40 -0.34 0.00 0.00 178.44 179.38 1sfl h ILE 89 N 0.71 1.25 -0.47 4.05 2.04 -1.35 -2.29 117.51 121.45 1sfl h ILE 89 Ca 0.14 -1.15 -0.12 0.00 1.00 0.00 0.00 64.86 64.74 1sfl h ILE 89 Cb 0.45 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1sfl h ILE 89 CO 0.02 0.39 -0.17 -1.28 0.00 0.00 0.00 178.15 177.11 1sfl h SER 90 N 0.63 0.96 1.06 1.72 0.87 -1.36 -3.03 113.55 114.39 1sfl h SER 90 Ca 0.11 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1sfl h SER 90 Cb 0.58 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1sfl h SER 90 CO 0.04 1.12 -0.09 0.44 -0.53 0.00 0.00 176.83 177.81 1sfl h ASP 91 N 0.78 0.00 0.67 6.23 3.32 -1.13 -2.99 116.42 123.31 1sfl h ASP 91 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1sfl h ASP 91 Cb 0.73 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 1sfl h ASP 91 CO 0.06 0.09 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.53 1sfl h LEU 92 N 0.00 0.00 -2.73 1.55 3.38 -1.28 -2.61 115.31 113.61 1sfl h LEU 92 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sfl h LEU 92 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1sfl h LEU 92 CO 0.01 0.07 -0.00 0.00 0.09 0.00 0.00 178.44 178.61 1sfl h ALA 93 N 1.93 1.01 0.00 1.53 0.00 -1.64 -2.00 119.26 120.09 1sfl h ALA 93 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1sfl h ALA 93 Cb 0.42 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sfl h ALA 93 CO 0.01 0.00 -0.09 -0.91 0.00 0.00 0.00 179.25 178.26 1sfl h ASN 94 N 0.00 0.00 -3.37 0.00 2.35 -1.69 -3.43 115.58 109.44 1sfl h ASN 94 Ca -0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 1sfl h ASN 94 Cb 0.09 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.39 1sfl h ASN 94 CO 0.00 0.09 0.99 -0.63 -1.65 0.00 0.00 177.43 176.23 1sfl s ILE 95 N -3.27 4.04 0.44 2.81 1.01 -0.76 -4.89 121.20 120.58 1sfl s ILE 95 Ca 0.05 1.00 0.13 0.00 0.00 0.00 0.00 60.65 61.84 1sfl s ILE 95 Cb 0.06 -4.57 0.31 0.00 0.01 0.00 0.00 42.46 38.27 1sfl s ILE 95 CO 0.66 -1.11 2.01 0.78 0.00 0.00 0.00 174.94 177.28 1sfl h ASN 96 N 9.77 0.34 0.69 3.58 4.21 -1.87 -2.42 115.58 129.87 1sfl h ASN 96 Ca -0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.27 1sfl h ASN 96 Cb 1.07 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.20 1sfl h ASN 96 CO 1.15 0.22 0.00 1.23 -1.29 0.00 0.00 177.43 178.74 1sfl h GLY 97 N 0.38 0.00 -4.56 2.83 0.00 -1.96 -3.43 103.07 96.33 1sfl h GLY 97 Ca 0.23 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.01 1sfl h GLY 97 CO -0.06 0.00 0.25 -0.42 0.00 0.00 0.00 176.54 176.32 1sfl s ILE 98 N -3.56 4.85 -0.15 2.60 1.01 -0.91 -4.63 121.20 120.41 1sfl s ILE 98 Ca 0.01 1.82 0.12 0.00 0.00 0.00 0.00 60.65 62.60 1sfl s ILE 98 Cb 0.09 -4.21 -0.17 0.00 0.01 0.00 0.00 42.46 38.18 1sfl s ILE 98 CO 0.43 0.24 0.03 0.47 0.00 0.00 0.00 174.94 176.11 1sfl n ASP 99 N 3.52 1.53 -4.03 3.58 8.00 0.08 -4.92 116.55 124.32 1sfl n ASP 99 Ca 0.02 -0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.36 1sfl n ASP 99 Cb 0.51 0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 42.21 1sfl n ASP 99 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1sfl s MET 100 N -2.35 0.53 -0.04 -1.24 -1.94 -0.48 -0.95 119.30 112.83 1sfl s MET 100 Ca -0.09 -0.54 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 1sfl s MET 100 Cb 0.05 -0.41 0.01 0.00 2.01 0.00 0.00 34.83 36.48 1sfl s MET 100 CO 0.58 0.09 -0.10 0.42 -0.01 0.00 0.00 175.02 176.00 1sfl s ILE 101 N -0.83 0.91 -0.24 2.53 1.01 -0.34 -1.57 121.20 122.67 1sfl s ILE 101 Ca -0.04 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 1sfl s ILE 101 Cb -0.07 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1sfl s ILE 101 CO 0.00 0.29 0.34 -0.62 0.00 0.00 0.00 174.94 174.95 1sfl s ASP 102 N 0.32 6.29 -0.13 3.58 -1.08 -1.09 -1.07 116.67 123.49 1sfl s ASP 102 Ca -0.06 0.33 0.02 0.00 -0.52 0.00 0.00 52.55 52.33 1sfl s ASP 102 Cb -0.11 -2.20 0.01 0.00 -1.46 0.00 0.00 42.92 39.16 1sfl s ASP 102 CO 0.01 -0.10 -0.20 -0.51 0.52 0.00 0.00 175.17 174.89 1sfl s ILE 103 N 1.63 1.91 0.44 4.11 2.07 -0.23 -4.59 121.20 126.54 1sfl s ILE 103 Ca 0.15 -0.89 -0.22 0.00 -1.41 0.00 0.00 60.65 58.28 1sfl s ILE 103 Cb -0.15 -1.70 -0.09 0.00 0.13 0.00 0.00 42.46 40.65 1sfl s ILE 103 CO 0.08 0.52 1.03 -1.61 -1.91 0.00 0.00 174.94 173.06 1sfl s GLU 104 N 0.84 4.03 0.15 3.50 2.02 -1.26 -1.53 118.70 126.44 1sfl s GLU 104 Ca -0.07 1.40 0.10 0.00 0.02 0.00 0.00 54.97 56.41 1sfl s GLU 104 Cb -0.15 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 1sfl s GLU 104 CO -0.01 -0.24 -0.22 -0.46 0.02 0.00 0.00 175.26 174.34 1sfl s TRP 105 N -1.85 2.01 -0.30 1.61 -0.00 0.16 -4.84 118.94 115.72 1sfl s TRP 105 Ca 0.62 -0.41 -0.16 0.00 -0.00 0.00 0.00 56.10 56.15 1sfl s TRP 105 Cb -0.18 -1.05 0.18 0.00 -0.00 0.00 0.00 33.47 32.42 1sfl s TRP 105 CO 0.22 0.33 1.09 1.14 -0.00 0.00 0.00 176.95 179.73 1sfl s GLN 106 N -2.36 0.19 0.04 5.86 -2.07 -1.26 -4.66 119.66 115.40 1sfl s GLN 106 Ca 0.14 0.44 0.03 0.00 -1.82 0.00 0.00 55.36 54.14 1sfl s GLN 106 Cb -0.08 0.26 0.10 0.00 -1.09 0.00 0.00 33.01 32.19 1sfl s GLN 106 CO 0.06 -0.11 0.10 0.00 -1.32 0.00 0.00 175.29 174.02 1sfl n ALA 107 N 5.02 0.11 0.12 2.60 0.00 -1.26 -0.27 120.51 126.83 1sfl n ALA 107 Ca -0.08 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1sfl n ALA 107 Cb 0.54 -0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.94 1sfl n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1sfl h ASP 108 N 0.00 0.00 -2.66 0.00 3.04 -2.04 -3.48 116.42 111.28 1sfl h ASP 108 Ca 0.05 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.31 1sfl h ASP 108 Cb 0.23 0.00 0.23 0.00 -1.04 0.00 0.00 39.33 38.75 1sfl h ASP 108 CO -0.00 0.30 -1.24 2.30 -2.04 0.00 0.00 179.24 178.56 1sfl n ILE 109 N -2.98 0.00 -2.60 4.15 -0.00 0.63 -4.86 119.36 113.70 1sfl n ILE 109 Ca -0.01 -0.32 -0.42 0.00 -0.00 0.00 0.00 62.75 62.00 1sfl n ILE 109 Cb 0.68 -0.33 -0.03 0.00 -0.00 0.00 0.00 39.64 39.96 1sfl n ILE 109 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1sfl s ASP 110 N -1.54 6.30 0.17 7.28 3.68 -1.26 -4.92 116.67 126.39 1sfl s ASP 110 Ca 0.49 -0.22 -0.18 0.00 2.13 0.00 0.00 52.55 54.77 1sfl s ASP 110 Cb -0.18 -2.54 0.11 0.00 -1.45 0.00 0.00 42.92 38.86 1sfl s ASP 110 CO 0.74 -1.62 1.64 0.40 0.13 0.00 0.00 175.17 176.46 1sfl h ILE 111 N 6.08 0.47 -0.27 4.11 2.04 -1.96 -0.55 117.51 127.43 1sfl h ILE 111 Ca -0.27 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 1sfl h ILE 111 Cb 1.06 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1sfl h ILE 111 CO 1.22 0.00 -0.26 -0.33 0.00 0.00 0.00 178.15 178.78 1sfl h GLU 112 N -0.08 0.52 -0.35 2.37 5.08 -1.99 -0.43 114.58 119.71 1sfl h GLU 112 Ca 0.21 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1sfl h GLU 112 Cb 0.39 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1sfl h GLU 112 CO -0.48 0.74 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.69 1sfl h LYS 113 N 0.46 0.81 -0.24 2.33 3.64 -1.87 -0.44 116.57 121.27 1sfl h LYS 113 Ca 0.06 -0.41 -0.04 0.00 -1.27 0.00 0.00 60.65 59.00 1sfl h LYS 113 Cb 0.70 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1sfl h LYS 113 CO 0.05 1.04 0.00 0.45 -2.27 0.00 0.00 179.45 178.73 1sfl h HIS 114 N 0.67 0.46 -0.49 1.91 3.86 -0.89 -1.35 115.15 119.31 1sfl h HIS 114 Ca 0.06 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1sfl h HIS 114 Cb 0.92 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 1sfl h HIS 114 CO 0.05 0.59 0.23 0.37 0.86 0.00 0.00 177.93 180.03 1sfl h GLN 115 N 0.20 0.69 -0.61 2.45 5.75 -0.99 0.18 115.11 122.77 1sfl h GLN 115 Ca 0.07 -0.08 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 1sfl h GLN 115 Cb 0.41 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1sfl h GLN 115 CO 0.01 0.55 0.07 -0.09 -2.65 0.00 0.00 178.83 176.72 1sfl h ARG 116 N 0.69 1.02 0.05 1.69 2.43 -0.77 -1.62 114.38 117.87 1sfl h ARG 116 Ca 0.17 -0.28 -0.26 0.00 -0.81 0.00 0.00 59.98 58.81 1sfl h ARG 116 Cb 0.09 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1sfl h ARG 116 CO -0.02 0.96 -1.08 0.82 -1.51 0.00 0.00 179.97 179.14 1sfl h ILE 117 N 0.95 1.38 0.07 1.20 2.04 -0.23 -2.71 117.51 120.20 1sfl h ILE 117 Ca 0.19 -2.54 -0.00 0.00 1.00 0.00 0.00 64.86 63.50 1sfl h ILE 117 Cb 0.45 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1sfl h ILE 117 CO 0.02 0.76 -0.03 0.40 0.00 0.00 0.00 178.15 179.29 1sfl h ILE 118 N 0.23 1.12 -0.97 -0.67 2.04 -0.62 -1.99 117.51 116.66 1sfl h ILE 118 Ca -0.12 -0.67 0.08 0.00 1.00 0.00 0.00 64.86 65.15 1sfl h ILE 118 Cb 1.74 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 39.31 1sfl h ILE 118 CO 0.19 0.17 0.62 0.74 0.00 0.00 0.00 178.15 179.87 1sfl h THR 119 N -0.39 1.03 -0.05 -0.27 2.02 -1.39 -1.48 112.91 112.37 1sfl h THR 119 Ca -0.01 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.84 1sfl h THR 119 Cb 0.34 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 1sfl h THR 119 CO 0.02 0.19 -0.19 -0.74 0.37 0.00 0.00 175.52 175.17 1sfl h HIS 120 N 1.06 -0.50 -0.89 3.16 -0.00 -1.27 -1.04 115.15 115.68 1sfl h HIS 120 Ca 0.44 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.82 1sfl h HIS 120 Cb 0.29 0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.89 1sfl h HIS 120 CO -0.00 -0.27 0.54 -0.07 -0.00 0.00 0.00 177.93 178.12 1sfl h LEU 121 N -0.28 1.06 -1.24 0.26 3.38 -0.65 -1.66 115.31 116.18 1sfl h LEU 121 Ca 0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sfl h LEU 121 Cb 0.38 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sfl h LEU 121 CO -0.22 0.81 -0.00 1.56 0.09 0.00 0.00 178.44 180.69 1sfl h GLN 122 N 1.22 0.00 0.00 1.13 4.20 -0.87 -1.14 115.11 119.65 1sfl h GLN 122 Ca 0.32 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.91 1sfl h GLN 122 Cb -0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1sfl h GLN 122 CO -0.06 0.00 -0.57 1.96 -0.67 0.00 0.00 178.83 179.49 1sfl h GLN 123 N 0.00 0.00 -0.67 1.46 4.20 -0.23 -2.49 115.11 117.38 1sfl h GLN 123 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sfl h GLN 123 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1sfl h GLN 123 CO 0.00 0.57 0.00 0.66 -0.67 0.00 0.00 178.83 179.39 1sfl n TYR 124 N -3.49 1.33 -3.80 2.96 4.02 -0.87 -4.93 117.16 112.38 1sfl n TYR 124 Ca 0.00 -0.48 -0.26 0.00 -0.01 0.00 0.00 57.90 57.15 1sfl n TYR 124 Cb 0.66 -0.32 0.03 0.00 -0.02 0.00 0.00 39.34 39.70 1sfl n TYR 124 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1sfl n ASN 125 N 0.56 -3.09 -4.69 7.72 5.03 -0.94 -5.00 115.26 114.86 1sfl n ASN 125 Ca 0.19 -0.79 -0.34 0.00 0.87 0.00 0.00 54.58 54.52 1sfl n ASN 125 Cb 0.83 -4.02 -0.09 0.00 -1.02 0.00 0.00 39.78 35.48 1sfl n ASN 125 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sfl s LYS 126 N -6.30 2.89 -0.15 3.52 -0.14 -0.49 -4.97 119.74 114.11 1sfl s LYS 126 Ca 0.34 -0.52 -0.26 0.00 -1.36 0.00 0.00 55.97 54.17 1sfl s LYS 126 Cb -0.17 -2.73 -0.01 0.00 -1.68 0.00 0.00 37.83 33.24 1sfl s LYS 126 CO 0.82 0.66 0.88 -1.21 -0.76 0.00 0.00 175.35 175.74 1sfl s GLU 127 N -1.28 4.34 -0.16 1.68 2.02 -0.13 -4.14 118.70 121.03 1sfl s GLU 127 Ca 0.17 1.13 -0.15 0.00 0.02 0.00 0.00 54.97 56.14 1sfl s GLU 127 Cb -0.11 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 1sfl s GLU 127 CO 0.07 -0.31 0.35 0.08 0.02 0.00 0.00 175.26 175.47 1sfl s VAL 128 N 2.07 5.26 -0.37 2.63 1.01 -1.26 -1.20 120.40 128.54 1sfl s VAL 128 Ca 0.41 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 63.04 1sfl s VAL 128 Cb -0.17 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.61 1sfl s VAL 128 CO 0.14 0.35 0.13 -0.63 0.00 0.00 0.00 175.10 175.09 1sfl s ILE 129 N 0.66 3.19 -0.17 2.22 1.09 -0.23 -0.88 121.20 127.08 1sfl s ILE 129 Ca 0.19 -1.82 -0.23 0.00 -1.10 0.00 0.00 60.65 57.69 1sfl s ILE 129 Cb -0.14 -3.08 -0.02 0.00 -1.06 0.00 0.00 42.46 38.16 1sfl s ILE 129 CO 0.06 -0.49 0.71 -0.51 -0.10 0.00 0.00 174.94 174.61 1sfl s ILE 130 N 1.18 4.97 0.15 2.92 1.10 -0.45 -1.06 121.20 130.01 1sfl s ILE 130 Ca 0.04 1.39 0.07 0.00 -0.51 0.00 0.00 60.65 61.64 1sfl s ILE 130 Cb -0.22 -4.03 -0.04 0.00 0.15 0.00 0.00 42.46 38.33 1sfl s ILE 130 CO -0.03 0.10 -0.16 -0.94 -2.11 0.00 0.00 174.94 171.80 1sfl s SER 131 N 1.13 2.35 -0.08 4.50 1.04 -0.58 0.35 113.70 122.41 1sfl s SER 131 Ca 0.33 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 1sfl s SER 131 Cb -0.16 -0.11 0.04 0.00 0.10 0.00 0.00 66.02 65.89 1sfl s SER 131 CO 0.12 -0.10 0.17 -2.28 0.98 0.00 0.00 173.24 172.13 1sfl s HIS 132 N -2.16 -0.20 -0.04 5.02 2.46 0.23 -0.67 115.29 119.92 1sfl s HIS 132 Ca 0.13 0.57 0.06 0.00 0.47 0.00 0.00 55.06 56.28 1sfl s HIS 132 Cb -0.05 -0.10 -0.01 0.00 -0.13 0.00 0.00 32.58 32.30 1sfl s HIS 132 CO 0.05 -0.20 -0.21 -1.01 -2.47 0.00 0.00 174.74 170.89 1sfl s HIS 133 N 1.43 2.06 -0.32 3.88 3.76 -1.26 -0.97 115.29 123.87 1sfl s HIS 133 Ca -0.07 -0.56 -0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1sfl s HIS 133 Cb -0.12 -1.36 0.10 0.00 1.11 0.00 0.00 32.58 32.32 1sfl s HIS 133 CO -0.06 -0.16 0.10 1.21 -0.85 0.00 0.00 174.74 174.97 1sfl s ASN 134 N -0.15 4.10 0.00 1.40 3.84 0.05 -4.87 114.94 119.31 1sfl s ASN 134 Ca -0.01 -1.72 0.31 0.00 0.21 0.00 0.00 52.86 51.65 1sfl s ASN 134 Cb -0.12 -0.95 1.60 0.00 -0.55 0.00 0.00 41.25 41.23 1sfl s ASN 134 CO 0.02 -0.41 2.08 0.49 -2.79 0.00 0.00 177.10 176.49 1sfl n PHE 135 N 4.75 0.00 -0.10 0.43 3.01 -1.26 -1.62 117.46 122.67 1sfl n PHE 135 Ca -0.01 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.23 1sfl n PHE 135 Cb 0.42 -0.16 -0.12 0.00 -0.01 0.00 0.00 39.48 39.61 1sfl n PHE 135 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1sfl n GLU 136 N -1.09 0.65 -2.77 -1.08 4.71 -1.26 -4.71 120.64 115.09 1sfl n GLU 136 Ca 0.18 0.24 -0.07 0.00 -0.01 0.00 0.00 57.16 57.51 1sfl n GLU 136 Cb 0.20 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 1sfl n GLU 136 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1sfl n SER 137 N -3.67 -1.12 -3.98 1.62 3.41 -1.25 -4.82 113.62 103.81 1sfl n SER 137 Ca -0.44 -2.01 -0.30 0.00 -0.26 0.00 0.00 58.87 55.86 1sfl n SER 137 Cb 0.94 1.94 -0.16 0.00 -0.26 0.00 0.00 64.21 66.67 1sfl n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sfl s THR 138 N -2.55 1.56 1.10 6.66 2.01 -0.71 -2.53 115.64 121.17 1sfl s THR 138 Ca 0.12 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 1sfl s THR 138 Cb -0.02 -1.68 0.25 0.00 0.01 0.00 0.00 72.50 71.06 1sfl s THR 138 CO 0.09 0.13 1.06 -2.84 -0.69 0.00 0.00 174.62 172.37 1sfl s PRO 139 N 1.42 -0.43 0.81 4.92 0.02 -1.26 -4.97 135.00 135.52 1sfl s PRO 139 Ca -0.02 0.98 -0.12 0.00 0.02 0.00 0.00 61.00 61.86 1sfl s PRO 139 Cb -0.16 -1.60 0.09 0.00 0.02 0.00 0.00 34.50 32.84 1sfl s PRO 139 CO -0.08 -3.44 1.15 -2.14 -0.33 0.00 0.00 177.00 172.17 1sfl s PRO 140 N -4.53 1.71 0.21 5.54 0.02 -1.26 -4.64 135.00 132.05 1sfl s PRO 140 Ca 0.68 1.53 -0.17 0.00 0.02 0.00 0.00 61.00 63.06 1sfl s PRO 140 Cb -0.24 -1.81 0.21 0.00 0.02 0.00 0.00 34.50 32.68 1sfl s PRO 140 CO 0.63 -2.11 1.58 1.25 -0.33 0.00 0.00 177.00 178.02 1sfl h LEU 141 N -1.13 -1.08 -0.71 -5.54 5.85 -1.93 0.13 115.31 110.89 1sfl h LEU 141 Ca -0.45 0.25 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1sfl h LEU 141 Cb 1.27 0.58 -0.08 0.00 0.37 0.00 0.00 40.66 42.80 1sfl h LEU 141 CO 0.47 -0.29 0.31 -2.24 -0.34 0.00 0.00 178.44 176.35 1sfl h ASP 142 N -0.08 0.35 0.31 1.25 2.03 -1.97 -0.46 116.42 117.84 1sfl h ASP 142 Ca 0.30 0.08 -0.11 0.00 -0.73 0.00 0.00 57.03 56.57 1sfl h ASP 142 Cb 0.57 0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 1sfl h ASP 142 CO -0.78 0.18 -0.45 -0.33 -1.03 0.00 0.00 179.24 176.83 1sfl h GLU 143 N 0.51 0.17 -0.35 4.15 4.39 -1.37 -0.47 114.58 121.61 1sfl h GLU 143 Ca 0.37 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1sfl h GLU 143 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1sfl h GLU 143 CO -0.33 0.59 0.10 -0.07 -1.16 0.00 0.00 179.01 178.14 1sfl h LEU 144 N 0.14 0.51 -1.36 1.33 3.38 0.25 -0.92 115.31 118.64 1sfl h LEU 144 Ca 0.01 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 1sfl h LEU 144 Cb 0.85 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1sfl h LEU 144 CO 0.07 0.59 -0.20 -0.61 0.09 0.00 0.00 178.44 178.38 1sfl h GLN 145 N 0.41 0.18 -0.22 1.13 4.15 -0.85 -2.10 115.11 117.80 1sfl h GLN 145 Ca 0.11 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 1sfl h GLN 145 Cb 0.27 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1sfl h GLN 145 CO -0.00 0.38 -0.00 0.35 -1.93 0.00 0.00 178.83 177.62 1sfl h PHE 146 N 0.17 0.43 -0.17 3.99 3.57 -0.49 -1.95 116.94 122.48 1sfl h PHE 146 Ca 0.03 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1sfl h PHE 146 Cb 0.45 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1sfl h PHE 146 CO 0.01 0.58 0.10 0.82 -2.23 0.00 0.00 178.31 177.58 1sfl h ILE 147 N 0.16 1.01 -0.40 1.41 1.08 -0.85 -2.42 117.51 117.50 1sfl h ILE 147 Ca 0.06 -0.07 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 1sfl h ILE 147 Cb 0.41 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 34.91 1sfl h ILE 147 CO 0.01 0.04 0.14 -0.26 -0.69 0.00 0.00 178.15 177.38 1sfl h PHE 148 N 0.20 0.24 -0.78 1.37 0.05 -1.34 -2.25 116.94 114.43 1sfl h PHE 148 Ca 0.07 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.90 1sfl h PHE 148 Cb -0.00 -0.05 -0.04 0.00 2.00 0.00 0.00 35.95 37.86 1sfl h PHE 148 CO -0.08 0.09 0.50 0.35 -0.18 0.00 0.00 178.31 178.99 1sfl h PHE 149 N 0.29 0.95 -0.17 -0.55 3.57 -1.17 0.79 116.94 120.65 1sfl h PHE 149 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1sfl h PHE 149 Cb 0.17 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1sfl h PHE 149 CO -0.15 0.57 0.05 0.87 -2.23 0.00 0.00 178.31 177.42 1sfl h LYS 150 N 1.00 0.27 -0.45 1.11 1.79 -1.18 -2.65 116.57 116.47 1sfl h LYS 150 Ca 0.30 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.64 1sfl h LYS 150 Cb -0.04 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1sfl h LYS 150 CO -0.09 0.38 -0.03 0.52 -1.08 0.00 0.00 179.45 179.14 1sfl h MET 151 N 0.10 0.75 -0.54 3.15 2.86 -1.15 -2.90 114.93 117.19 1sfl h MET 151 Ca 0.06 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1sfl h MET 151 Cb 0.22 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1sfl h MET 151 CO -0.00 0.78 0.27 0.37 1.06 0.00 0.00 176.91 179.39 1sfl h GLN 152 N 0.70 0.75 -0.97 1.72 -0.00 -0.70 -2.87 115.11 113.74 1sfl h GLN 152 Ca 0.13 -0.08 0.25 0.00 -0.00 0.00 0.00 58.65 58.95 1sfl h GLN 152 Cb 0.48 -0.15 -0.06 0.00 0.00 0.00 0.00 27.48 27.74 1sfl h GLN 152 CO 0.02 0.57 0.66 0.87 0.00 0.00 0.00 178.83 180.96 1sfl h LYS 153 N 0.76 0.24 0.00 1.69 1.79 -1.25 0.65 116.57 120.45 1sfl h LYS 153 Ca 0.19 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1sfl h LYS 153 Cb 0.06 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1sfl h LYS 153 CO -0.03 0.16 0.00 1.19 -1.08 0.00 0.00 179.45 179.69 1sfl n PHE 154 N -4.44 0.00 -3.97 -1.35 3.01 -1.08 -4.91 117.46 104.72 1sfl n PHE 154 Ca 0.22 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.26 1sfl n PHE 154 Cb 0.88 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.37 1sfl n PHE 154 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1sfl n ASN 155 N -0.83 -4.23 -4.57 4.37 5.03 0.22 -4.91 115.26 110.34 1sfl n ASN 155 Ca 0.12 -1.21 -0.25 0.00 0.87 0.00 0.00 54.58 54.11 1sfl n ASN 155 Cb 0.05 -2.21 0.12 0.00 -1.02 0.00 0.00 39.78 36.73 1sfl n ASN 155 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1sfl s PRO 156 N -6.99 1.48 0.10 3.52 0.04 -1.26 -5.01 135.00 126.88 1sfl s PRO 156 Ca 0.46 -0.95 -0.13 0.00 0.04 0.00 0.00 61.00 60.43 1sfl s PRO 156 Cb -0.23 -2.23 -0.17 0.00 0.04 0.00 0.00 34.50 31.92 1sfl s PRO 156 CO 0.94 -1.64 1.29 0.93 0.04 0.00 0.00 177.00 178.56 1sfl h GLU 157 N -0.76 0.79 -4.36 4.56 3.07 -1.50 -3.44 114.58 112.94 1sfl h GLU 157 Ca -0.38 -0.67 -0.28 0.00 -0.50 0.00 0.00 59.36 57.53 1sfl h GLU 157 Cb 1.26 0.15 -0.24 0.00 -0.84 0.00 0.00 28.75 29.08 1sfl h GLU 157 CO 0.40 1.27 -0.74 0.71 -1.40 0.00 0.00 179.01 179.26 1sfl s TYR 158 N -3.68 0.51 -0.17 4.33 2.02 -0.06 -2.00 117.35 118.30 1sfl s TYR 158 Ca -0.10 -0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 1sfl s TYR 158 Cb 0.08 -0.32 -0.00 0.00 -0.40 0.00 0.00 41.96 41.32 1sfl s TYR 158 CO 0.91 -0.07 -0.13 0.54 -1.57 0.00 0.00 175.55 175.23 1sfl s VAL 159 N -0.89 2.81 -0.12 0.71 0.11 0.05 -1.34 120.40 121.74 1sfl s VAL 159 Ca -0.06 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1sfl s VAL 159 Cb -0.07 -2.20 -0.00 0.00 -1.53 0.00 0.00 36.38 32.57 1sfl s VAL 159 CO 0.00 0.50 -0.19 -0.75 -3.33 0.00 0.00 175.10 171.33 1sfl s LYS 160 N 0.90 3.18 -0.13 1.54 2.20 0.16 -0.03 119.74 127.56 1sfl s LYS 160 Ca -0.03 -0.79 -0.01 0.00 -0.36 0.00 0.00 55.97 54.78 1sfl s LYS 160 Cb -0.15 -2.47 0.03 0.00 -1.51 0.00 0.00 37.83 33.73 1sfl s LYS 160 CO -0.01 0.14 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.91 1sfl s LEU 161 N 0.47 1.27 -0.15 5.43 2.96 0.01 -0.60 118.68 128.07 1sfl s LEU 161 Ca -0.13 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1sfl s LEU 161 Cb -0.17 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1sfl s LEU 161 CO 0.05 -0.17 -0.12 0.00 -1.32 0.00 0.00 176.35 174.80 1sfl s ALA 162 N 1.73 2.64 0.06 5.97 0.00 -0.15 -1.17 121.76 130.84 1sfl s ALA 162 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1sfl s ALA 162 Cb -0.14 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1sfl s ALA 162 CO -0.08 0.13 -0.07 0.14 0.00 0.00 0.00 175.76 175.88 1sfl s VAL 163 N 0.55 0.55 -0.35 0.00 -7.23 -0.14 -0.77 120.40 113.00 1sfl s VAL 163 Ca -0.08 -1.32 -0.15 0.00 -1.81 0.00 0.00 61.98 58.62 1sfl s VAL 163 Cb -0.16 -0.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.87 1sfl s VAL 163 CO 0.04 -0.54 0.33 -0.32 -0.31 0.00 0.00 175.10 174.29 1sfl s MET 164 N -2.25 3.46 0.46 4.82 -2.45 -0.64 0.03 119.30 122.74 1sfl s MET 164 Ca -0.04 -0.56 -0.19 0.00 -1.25 0.00 0.00 55.69 53.65 1sfl s MET 164 Cb -0.05 -3.83 -0.10 0.00 1.25 0.00 0.00 34.83 32.10 1sfl s MET 164 CO -0.01 -0.54 0.97 -1.25 1.05 0.00 0.00 175.02 175.23 1sfl s PRO 165 N 1.91 4.10 -0.05 4.11 0.04 -1.26 -1.75 135.00 142.10 1sfl s PRO 165 Ca 0.09 1.08 0.09 0.00 0.04 0.00 0.00 61.00 62.30 1sfl s PRO 165 Cb -0.17 -2.16 -0.13 0.00 0.04 0.00 0.00 34.50 32.09 1sfl s PRO 165 CO 0.11 -0.15 0.12 0.72 0.04 0.00 0.00 177.00 177.85 1sfl n HIS 166 N -0.99 0.00 -4.06 0.56 8.25 -1.26 -4.95 115.22 112.76 1sfl n HIS 166 Ca 0.07 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1sfl n HIS 166 Cb 0.54 -0.32 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 1sfl n HIS 166 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1sfl s ASN 167 N -3.57 0.35 0.31 0.41 2.20 -1.26 -5.06 114.94 108.33 1sfl s ASN 167 Ca -0.04 -1.23 0.03 0.00 -0.94 0.00 0.00 52.86 50.68 1sfl s ASN 167 Cb 0.04 0.59 0.61 0.00 -2.00 0.00 0.00 41.25 40.49 1sfl s ASN 167 CO 0.37 -1.17 1.89 0.11 -2.94 0.00 0.00 177.10 175.36 1sfl h LYS 168 N 2.25 0.91 -0.28 3.55 1.57 -1.97 -2.03 116.57 120.57 1sfl h LYS 168 Ca -0.29 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1sfl h LYS 168 Cb 1.25 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1sfl h LYS 168 CO 0.40 0.60 0.03 -0.91 -0.57 0.00 0.00 179.45 179.00 1sfl h ASN 169 N 0.93 0.38 -0.22 0.86 2.35 -1.98 -1.61 115.58 116.29 1sfl h ASN 169 Ca 0.42 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 56.05 1sfl h ASN 169 Cb 0.38 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1sfl h ASN 169 CO -0.18 0.42 -0.09 0.44 -1.65 0.00 0.00 177.43 176.37 1sfl h ASP 170 N 0.41 0.57 -0.07 5.81 3.32 -1.76 0.19 116.42 124.89 1sfl h ASP 170 Ca 0.10 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1sfl h ASP 170 Cb 0.22 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1sfl h ASP 170 CO 0.00 0.70 -0.11 0.58 -1.72 0.00 0.00 179.24 178.69 1sfl h VAL 171 N 0.55 1.40 -0.47 -1.35 2.07 -1.32 -2.40 116.25 114.74 1sfl h VAL 171 Ca 0.10 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1sfl h VAL 171 Cb 0.49 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1sfl h VAL 171 CO 0.03 0.38 0.15 -0.07 0.02 0.00 0.00 177.57 178.08 1sfl h LEU 172 N -0.28 0.63 -0.47 2.57 3.38 -1.19 -1.33 115.31 118.63 1sfl h LEU 172 Ca 0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1sfl h LEU 172 Cb 0.68 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1sfl h LEU 172 CO 0.03 0.61 0.10 0.78 0.09 0.00 0.00 178.44 180.04 1sfl h ASN 173 N 0.68 0.73 -0.39 -0.43 -0.26 -0.60 0.13 115.58 115.44 1sfl h ASN 173 Ca 0.16 -0.24 -0.02 0.00 -0.56 0.00 0.00 56.30 55.63 1sfl h ASN 173 Cb 0.20 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 1sfl h ASN 173 CO -0.01 0.79 0.15 0.25 -1.06 0.00 0.00 177.43 177.54 1sfl h LEU 174 N 0.64 0.54 -0.97 1.61 7.12 -1.00 0.58 115.31 123.83 1sfl h LEU 174 Ca 0.15 -0.18 -0.03 0.00 0.13 0.00 0.00 57.88 57.95 1sfl h LEU 174 Cb 0.35 -0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.31 1sfl h LEU 174 CO 0.00 0.57 0.36 -0.07 -0.13 0.00 0.00 178.44 179.18 1sfl h LEU 175 N 0.48 1.00 -0.05 2.25 3.38 -1.05 -1.20 115.31 120.13 1sfl h LEU 175 Ca 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1sfl h LEU 175 Cb 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1sfl h LEU 175 CO -0.01 0.85 -0.01 -0.61 0.09 0.00 0.00 178.44 178.74 1sfl h GLN 176 N 1.09 0.09 -0.29 1.13 5.75 -0.46 -0.05 115.11 122.37 1sfl h GLN 176 Ca 0.26 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.78 1sfl h GLN 176 Cb 0.12 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.61 1sfl h GLN 176 CO -0.03 0.44 -0.05 0.00 -2.65 0.00 0.00 178.83 176.53 1sfl h ALA 177 N 0.65 0.21 -0.75 3.38 0.00 -0.65 0.01 119.26 122.11 1sfl h ALA 177 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1sfl h ALA 177 Cb 0.41 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1sfl h ALA 177 CO 0.00 -0.45 0.36 1.98 0.00 0.00 0.00 179.25 181.14 1sfl h MET 178 N 0.02 1.06 0.05 0.00 1.85 -1.19 -1.62 114.93 115.11 1sfl h MET 178 Ca 0.14 -0.15 -0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1sfl h MET 178 Cb 0.21 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 32.04 1sfl h MET 178 CO -0.28 0.82 -0.03 1.03 -0.40 0.00 0.00 176.91 178.05 1sfl h SER 179 N 1.06 -0.06 -0.80 1.39 0.87 -0.17 -1.35 113.55 114.49 1sfl h SER 179 Ca 0.26 -0.36 0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1sfl h SER 179 Cb 0.11 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1sfl h SER 179 CO -0.03 0.33 0.53 0.74 -0.53 0.00 0.00 176.83 177.87 1sfl h THR 180 N -0.47 1.16 0.00 2.23 2.02 -0.94 -1.24 112.91 115.67 1sfl h THR 180 Ca -0.01 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1sfl h THR 180 Cb 0.41 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1sfl h THR 180 CO 0.01 0.19 -0.00 0.15 0.37 0.00 0.00 175.52 176.24 1sfl h PHE 181 N 1.02 -0.00 -1.02 3.16 3.57 -1.28 -2.88 116.94 119.51 1sfl h PHE 181 Ca 0.31 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 62.07 1sfl h PHE 181 Cb -0.02 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.60 1sfl h PHE 181 CO -0.00 0.20 0.62 1.03 -2.23 0.00 0.00 178.31 177.93 1sfl h SER 182 N -0.21 0.59 1.63 0.41 0.87 -0.13 -0.94 113.55 115.79 1sfl h SER 182 Ca -0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1sfl h SER 182 Cb 0.21 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1sfl h SER 182 CO 0.00 0.07 0.00 0.44 -0.53 0.00 0.00 176.83 176.81 1sfl h ASP 183 N 0.50 0.00 0.00 6.23 3.32 -1.09 -3.40 116.42 121.97 1sfl h ASP 183 Ca 0.65 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.63 1sfl h ASP 183 Cb 1.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 1sfl h ASP 183 CO -0.44 0.00 -0.88 0.41 -1.72 0.00 0.00 179.24 176.61 1sfl n THR 184 N -3.09 0.83 -0.78 0.35 -1.04 -0.51 -5.08 114.28 104.96 1sfl n THR 184 Ca 0.03 0.10 -0.33 0.00 -2.04 0.00 0.00 64.05 61.81 1sfl n THR 184 Cb 0.45 -1.69 0.13 0.00 -1.82 0.00 0.00 70.33 67.39 1sfl n THR 184 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1sfl n MET 185 N -3.53 -0.36 -0.45 -2.82 2.81 -0.47 -4.96 117.12 107.34 1sfl n MET 185 Ca -0.10 -0.06 0.08 0.00 -1.81 0.00 0.00 57.70 55.81 1sfl n MET 185 Cb 0.39 -1.89 0.27 0.00 -0.71 0.00 0.00 33.22 31.28 1sfl n MET 185 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1sfl n ASP 186 N -1.56 4.01 -4.23 7.83 9.92 -1.26 -4.93 116.55 126.32 1sfl n ASP 186 Ca 0.07 -2.55 -0.13 0.00 -0.53 0.00 0.00 54.79 51.64 1sfl n ASP 186 Cb 0.54 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 40.44 1sfl n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sfl s LYS 188 N -3.77 3.65 0.07 0.00 1.02 -0.85 -4.91 119.74 114.97 1sfl s LYS 188 Ca 0.16 1.64 0.09 0.00 0.02 0.00 0.00 55.97 57.88 1sfl s LYS 188 Cb 0.03 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 1sfl s LYS 188 CO -0.00 -0.61 -0.23 0.54 -0.92 0.00 0.00 175.35 174.13 1sfl s VAL 189 N -1.69 1.89 -0.08 3.17 0.11 -1.26 -0.77 120.40 121.77 1sfl s VAL 189 Ca 0.67 -1.43 -0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1sfl s VAL 189 Cb -0.25 -1.66 0.03 0.00 -1.53 0.00 0.00 36.38 32.97 1sfl s VAL 189 CO 0.29 0.16 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.49 1sfl s VAL 190 N -0.94 0.66 -0.08 2.04 1.01 0.96 -1.65 120.40 122.40 1sfl s VAL 190 Ca 0.09 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1sfl s VAL 190 Cb -0.10 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1sfl s VAL 190 CO 0.03 0.30 -0.24 -0.83 0.00 0.00 0.00 175.10 174.36 1sfl s GLY 191 N 1.72 1.28 -0.08 4.51 0.00 -1.26 -0.81 107.32 112.68 1sfl s GLY 191 Ca 0.03 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.79 1sfl s GLY 191 CO -0.05 -0.46 -0.11 -0.42 0.00 0.00 0.00 173.10 172.06 1sfl s ILE 192 N 0.11 1.09 -0.29 0.90 1.01 -0.32 -4.78 121.20 118.93 1sfl s ILE 192 Ca -0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 1sfl s ILE 192 Cb -0.16 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1sfl s ILE 192 CO 0.06 0.35 0.05 -0.55 0.00 0.00 0.00 174.94 174.86 1sfl s SER 193 N 0.95 4.98 1.14 3.58 0.15 -1.26 -0.97 113.70 122.27 1sfl s SER 193 Ca -0.09 -0.75 -0.18 0.00 0.70 0.00 0.00 55.95 55.63 1sfl s SER 193 Cb -0.15 -1.84 0.26 0.00 -1.71 0.00 0.00 66.02 62.58 1sfl s SER 193 CO 0.00 -0.18 1.14 -0.04 1.20 0.00 0.00 173.24 175.36 1sfl s MET 194 N 1.46 -0.73 0.24 5.44 1.00 0.11 -4.13 119.30 122.69 1sfl s MET 194 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 55.69 55.66 1sfl s MET 194 Cb -0.17 -1.65 0.00 0.00 0.00 0.00 0.00 34.83 33.01 1sfl s MET 194 CO 0.01 -3.39 0.00 -1.13 0.00 0.00 0.00 175.02 170.51 1sfl n SER 195 N -4.54 -4.39 0.21 3.03 3.41 -1.20 -2.65 113.62 107.49 1sfl n SER 195 Ca 0.12 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.30 1sfl n SER 195 Cb 0.59 -2.36 0.47 0.00 -0.26 0.00 0.00 64.21 62.65 1sfl n SER 195 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1sfl h LYS 196 N -0.70 0.00 -0.46 4.33 3.64 -1.91 -1.85 116.57 119.62 1sfl h LYS 196 Ca -0.04 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1sfl h LYS 196 Cb 0.69 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1sfl h LYS 196 CO 0.02 0.28 0.31 1.25 -2.27 0.00 0.00 179.45 179.04 1sfl h LEU 197 N 0.00 0.35 -2.26 5.20 6.46 -1.93 -1.81 115.31 121.32 1sfl h LEU 197 Ca -0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1sfl h LEU 197 Cb 0.55 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1sfl h LEU 197 CO 0.04 0.23 0.00 0.61 -0.62 0.00 0.00 178.44 178.70 1sfl n GLY 198 N -1.51 1.83 0.36 3.75 0.00 -0.71 -4.52 105.19 104.40 1sfl n GLY 198 Ca 0.06 -0.68 0.15 0.00 0.00 0.00 0.00 46.02 45.55 1sfl n GLY 198 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sfl h LEU 199 N 3.73 0.72 -1.84 0.99 5.85 -1.23 0.28 115.31 123.81 1sfl h LEU 199 Ca 0.00 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1sfl h LEU 199 Cb 0.85 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1sfl h LEU 199 CO 0.00 0.21 0.35 -0.29 -0.34 0.00 0.00 178.44 178.36 1sfl h ILE 200 N 0.67 0.83 0.00 4.05 -0.00 -1.81 -0.39 117.51 120.86 1sfl h ILE 200 Ca 0.60 -0.06 -0.04 0.00 -0.00 0.00 0.00 64.86 65.36 1sfl h ILE 200 Cb 1.05 0.64 -0.01 0.00 -0.00 0.00 0.00 36.82 38.50 1sfl h ILE 200 CO -0.40 0.03 -0.19 0.77 -0.00 0.00 0.00 178.15 178.36 1sfl h SER 201 N 0.17 0.00 0.16 2.19 4.64 -1.24 0.49 113.55 119.96 1sfl h SER 201 Ca 0.24 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.31 1sfl h SER 201 Cb 0.70 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1sfl h SER 201 CO -0.04 0.19 -1.16 0.03 -0.87 0.00 0.00 176.83 174.99 1sfl h ARG 202 N 0.00 0.35 -0.10 4.77 3.08 -1.18 -2.86 114.38 118.44 1sfl h ARG 202 Ca -0.00 -0.59 -0.21 0.00 0.07 0.00 0.00 59.98 59.25 1sfl h ARG 202 Cb 0.36 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1sfl h ARG 202 CO 0.03 1.28 -0.80 1.79 -1.07 0.00 0.00 179.97 181.20 1sfl h THR 203 N -0.22 1.33 -0.68 2.04 1.35 -1.34 -3.23 112.91 112.17 1sfl h THR 203 Ca -0.22 -2.10 -0.31 0.00 -0.55 0.00 0.00 66.41 63.23 1sfl h THR 203 Cb 1.81 2.10 -0.19 0.00 -1.73 0.00 0.00 68.15 70.15 1sfl h THR 203 CO 0.16 0.65 0.29 0.00 -0.25 0.00 0.00 175.52 176.36 1sfl n ALA 204 N -2.57 4.81 -0.09 6.62 0.00 0.15 -4.10 120.51 125.33 1sfl n ALA 204 Ca -0.07 -2.87 -0.06 0.00 0.00 0.00 0.00 53.44 50.45 1sfl n ALA 204 Cb 0.75 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1sfl n ALA 204 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1sfl h GLN 205 N 1.32 -0.11 0.00 0.00 5.75 -1.52 -1.41 115.11 119.14 1sfl h GLN 205 Ca 0.39 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.88 1sfl h GLN 205 Cb 2.26 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 30.83 1sfl h GLN 205 CO 0.73 -0.08 -0.07 0.78 -2.65 0.00 0.00 178.83 177.55 1sfl h GLY 206 N -0.12 0.00 1.19 2.39 0.00 -1.84 -0.87 103.07 103.82 1sfl h GLY 206 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1sfl h GLY 206 CO -0.41 0.00 0.37 -2.08 0.00 0.00 0.00 176.54 174.42 1sfl h VAL 207 N 0.00 1.23 -0.62 4.60 2.07 -1.58 -2.97 116.25 118.98 1sfl h VAL 207 Ca -0.00 -0.63 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 1sfl h VAL 207 Cb 0.30 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 1sfl h VAL 207 CO 0.01 0.27 0.16 0.49 0.02 0.00 0.00 177.57 178.52 1sfl n PHE 208 N -4.33 2.12 -0.20 1.57 3.72 -0.99 -4.92 117.46 114.43 1sfl n PHE 208 Ca 0.07 -1.07 0.00 0.00 -0.05 0.00 0.00 57.45 56.40 1sfl n PHE 208 Cb 0.13 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 1sfl n PHE 208 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sfl n GLY 209 N -0.06 0.70 3.76 1.37 0.00 -1.12 -3.29 105.19 106.55 1sfl n GLY 209 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 1sfl n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sfl s GLY 210 N -1.50 2.80 -0.01 -0.02 0.00 -0.37 -4.55 107.32 103.67 1sfl s GLY 210 Ca 0.00 1.09 0.11 0.00 0.00 0.00 0.00 44.72 45.92 1sfl s GLY 210 CO 0.00 1.54 0.27 0.00 0.00 0.00 0.00 173.10 174.91 1sfl n ALA 211 N -1.06 2.51 -2.76 3.20 0.00 -0.66 -4.02 120.51 117.72 1sfl n ALA 211 Ca 0.11 -0.28 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 1sfl n ALA 211 Cb 0.48 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 19.39 1sfl n ALA 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sfl s LEU 212 N -3.69 2.03 -0.03 0.00 1.02 -1.26 -0.80 118.68 115.95 1sfl s LEU 212 Ca -0.03 -0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.00 1sfl s LEU 212 Cb 0.07 -0.26 0.01 0.00 0.02 0.00 0.00 46.19 46.03 1sfl s LEU 212 CO 0.47 0.05 -0.05 0.28 0.02 0.00 0.00 176.35 177.12 1sfl s THR 213 N -0.21 0.48 -0.17 5.49 -1.32 -0.77 -4.71 115.64 114.43 1sfl s THR 213 Ca 0.01 -0.16 -0.10 0.00 -1.21 0.00 0.00 61.69 60.24 1sfl s THR 213 Cb -0.03 -0.47 -0.05 0.00 -1.51 0.00 0.00 72.50 70.45 1sfl s THR 213 CO -0.00 0.18 0.16 -0.31 -2.21 0.00 0.00 174.62 172.44 1sfl s TYR 214 N 0.50 3.47 0.36 9.09 1.51 -1.26 0.44 117.35 131.46 1sfl s TYR 214 Ca -0.06 0.43 0.04 0.00 -1.01 0.00 0.00 57.07 56.47 1sfl s TYR 214 Cb -0.10 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1sfl s TYR 214 CO -0.00 0.40 0.14 0.41 -1.11 0.00 0.00 175.55 175.39 1sfl n GLY 215 N 3.08 3.31 3.63 0.71 0.00 0.18 -4.62 105.19 111.48 1sfl n GLY 215 Ca -0.16 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1sfl n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfl n ILE 217 N -1.25 0.00 0.00 0.00 0.13 -1.26 -1.31 119.36 115.66 1sfl n ILE 217 Ca -0.20 -0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.36 1sfl n ILE 217 Cb 0.64 0.82 0.00 0.00 -0.84 0.00 0.00 39.64 40.26 1sfl n ILE 217 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1sfl n GLY 218 N 1.45 1.76 3.35 4.50 0.00 -1.26 -4.97 105.19 110.02 1sfl n GLY 218 Ca 0.07 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1sfl n GLY 218 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sfl s GLU 219 N 0.00 3.35 0.41 1.61 2.56 -1.26 -4.95 118.70 120.42 1sfl s GLU 219 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 54.97 54.08 1sfl s GLU 219 Cb 0.00 -3.18 -0.09 0.00 2.00 0.00 0.00 34.13 32.85 1sfl s GLU 219 CO 0.00 -0.27 1.02 -1.25 -0.56 0.00 0.00 175.26 174.21 1sfl s PRO 220 N 1.51 4.16 -0.14 4.30 0.04 -1.26 -4.96 135.00 138.65 1sfl s PRO 220 Ca 0.05 1.42 0.17 0.00 0.04 0.00 0.00 61.00 62.67 1sfl s PRO 220 Cb -0.15 -2.45 0.68 0.00 0.04 0.00 0.00 34.50 32.62 1sfl s PRO 220 CO -0.00 -0.13 1.59 1.04 0.04 0.00 0.00 177.00 179.54 1sfl n GLN 221 N -0.22 3.79 0.00 4.56 6.02 -1.26 -4.99 117.38 125.28 1sfl n GLN 221 Ca 0.06 -2.87 0.00 0.00 -0.01 0.00 0.00 57.00 54.17 1sfl n GLN 221 Cb 0.51 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1sfl n GLN 221 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sfl n ALA 222 N 0.71 0.00 -1.77 -1.58 0.00 -1.26 -5.13 120.51 111.49 1sfl n ALA 222 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 1sfl n ALA 222 Cb 0.92 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.31 1sfl n ALA 222 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1sfl s PRO 223 N -2.00 4.61 0.00 0.00 0.02 -1.26 -3.77 135.00 132.59 1sfl s PRO 223 Ca 0.00 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.53 1sfl s PRO 223 Cb 0.00 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.54 1sfl s PRO 223 CO 0.00 0.27 0.00 0.41 -0.33 0.00 0.00 177.00 177.35 1sfl n GLY 224 N 0.93 1.68 3.80 0.52 0.00 -1.26 -3.25 105.19 107.61 1sfl n GLY 224 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1sfl n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sfl s GLN 225 N -0.64 4.42 0.03 1.61 -0.21 -1.25 -4.81 119.66 118.81 1sfl s GLN 225 Ca 0.00 1.08 0.04 0.00 0.02 0.00 0.00 55.36 56.49 1sfl s GLN 225 Cb 0.00 -2.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.07 1sfl s GLN 225 CO 0.00 0.39 -0.11 -1.50 -2.12 0.00 0.00 175.29 171.95 1sfl s ILE 226 N -1.49 0.84 0.27 1.08 1.10 -1.26 -4.96 121.20 116.78 1sfl s ILE 226 Ca 0.44 -0.82 -0.30 0.00 -0.51 0.00 0.00 60.65 59.46 1sfl s ILE 226 Cb -0.18 -0.78 -0.11 0.00 0.15 0.00 0.00 42.46 41.54 1sfl s ILE 226 CO 0.23 -0.03 1.52 -0.62 -2.11 0.00 0.00 174.94 173.92 1sfl s ASP 227 N -0.96 6.51 0.58 4.50 2.15 -1.26 -0.24 116.67 127.95 1sfl s ASP 227 Ca -0.01 2.82 0.29 0.00 0.43 0.00 0.00 52.55 56.08 1sfl s ASP 227 Cb -0.07 -2.63 1.49 0.00 -0.30 0.00 0.00 42.92 41.41 1sfl s ASP 227 CO 0.01 -0.81 1.93 -0.37 -0.17 0.00 0.00 175.17 175.76 1sfl h VAL 228 N 3.45 0.42 -0.24 1.11 -1.51 -1.50 0.27 116.25 118.26 1sfl h VAL 228 Ca -0.47 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 64.81 1sfl h VAL 228 Cb 1.22 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1sfl h VAL 228 CO 0.78 0.00 -0.59 0.74 -1.23 0.00 0.00 177.57 177.27 1sfl h THR 229 N 0.00 1.28 0.04 7.19 2.02 -1.88 0.55 112.91 122.11 1sfl h THR 229 Ca 0.21 -1.79 -0.23 0.00 0.77 0.00 0.00 66.41 65.38 1sfl h THR 229 Cb 1.11 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1sfl h THR 229 CO -0.00 0.57 -1.01 0.44 0.37 0.00 0.00 175.52 175.89 1sfl h ASP 230 N 0.57 0.38 -0.48 4.18 3.32 -1.31 -2.75 116.42 120.34 1sfl h ASP 230 Ca -0.01 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 1sfl h ASP 230 Cb 1.21 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1sfl h ASP 230 CO 0.13 1.18 0.17 0.25 -1.72 0.00 0.00 179.24 179.25 1sfl h LEU 231 N 0.13 0.68 -0.87 1.55 5.85 -0.51 -1.31 115.31 120.83 1sfl h LEU 231 Ca -0.08 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1sfl h LEU 231 Cb 1.67 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.49 1sfl h LEU 231 CO 0.16 0.68 0.42 0.50 -0.34 0.00 0.00 178.44 179.87 1sfl h LYS 232 N 0.63 1.24 -0.64 1.25 1.63 -0.90 0.23 116.57 120.01 1sfl h LYS 232 Ca 0.16 -0.18 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 1sfl h LYS 232 Cb 0.23 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 1sfl h LYS 232 CO -0.01 0.94 0.23 0.00 -3.45 0.00 0.00 179.45 177.16 1sfl h ALA 233 N 1.23 1.19 -0.07 5.00 0.00 -1.15 -1.47 119.26 123.99 1sfl h ALA 233 Ca 0.30 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1sfl h ALA 233 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sfl h ALA 233 CO -0.04 0.57 -0.29 1.96 0.00 0.00 0.00 179.25 181.45 1sfl h GLN 234 N 0.93 0.33 -0.98 0.00 1.08 -0.71 -3.21 115.11 112.54 1sfl h GLN 234 Ca 0.21 -0.25 0.10 0.00 -1.45 0.00 0.00 58.65 57.26 1sfl h GLN 234 Cb 0.23 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 1sfl h GLN 234 CO -0.01 0.89 0.63 0.28 -0.95 0.00 0.00 178.83 179.66 1sfl h VAL 235 N -0.16 0.97 0.00 -0.54 2.07 -0.84 -0.89 116.25 116.85 1sfl h VAL 235 Ca -0.02 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1sfl h VAL 235 Cb 0.93 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1sfl h VAL 235 CO 0.06 0.18 -0.00 0.74 0.02 0.00 0.00 177.57 178.57 1sfl h THR 236 N 1.01 0.06 0.00 2.57 2.02 -1.27 -2.64 112.91 114.66 1sfl h THR 236 Ca 0.46 -0.10 -0.14 0.00 0.77 0.00 0.00 66.41 67.40 1sfl h THR 236 Cb 0.40 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1sfl h THR 236 CO -0.22 0.00 -0.69 -0.07 0.37 0.00 0.00 175.52 174.91 1sfl h LEU 237 N 0.00 0.00 -1.55 2.58 3.38 -1.21 -3.51 115.31 115.00 1sfl h LEU 237 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sfl h LEU 237 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1sfl h LEU 237 CO 0.00 0.69 0.00 -1.22 0.09 0.00 0.00 178.44 178.00