#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6i s LEU 2 N 0.00 4.41 0.07 -3.43 1.43 -1.26 0.55 118.68 120.46 3f6i s LEU 2 Ca 0.00 1.67 -0.07 0.00 -1.03 0.00 0.00 54.13 54.70 3f6i s LEU 2 Cb 0.00 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 3f6i s LEU 2 CO 0.00 -0.18 0.14 0.00 0.23 0.00 0.00 176.35 176.54 3f6i s ALA 3 N 0.63 -0.10 0.37 4.21 0.00 0.05 -4.93 121.76 121.99 3f6i s ALA 3 Ca 0.49 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.87 3f6i s ALA 3 Cb -0.22 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 3f6i s ALA 3 CO 0.28 -0.44 0.13 0.14 0.00 0.00 0.00 175.76 175.87 3f6i s VAL 4 N -3.53 2.66 0.18 0.00 -7.23 -1.26 0.90 120.40 112.12 3f6i s VAL 4 Ca 0.03 -1.75 -0.10 0.00 -1.81 0.00 0.00 61.98 58.34 3f6i s VAL 4 Cb 0.04 -2.94 0.07 0.00 0.56 0.00 0.00 36.38 34.10 3f6i s VAL 4 CO -0.09 -0.12 1.66 -2.24 -0.31 0.00 0.00 175.10 174.00 3f6i h ASP 5 N 1.56 1.01 -0.67 4.85 2.03 -1.99 -3.47 116.42 119.74 3f6i h ASP 5 Ca -0.43 -0.28 -0.61 0.00 -0.73 0.00 0.00 57.03 54.98 3f6i h ASP 5 Cb 1.25 -0.27 -0.08 0.00 -0.83 0.00 0.00 39.33 39.41 3f6i h ASP 5 CO 0.66 1.04 -0.39 -1.10 -1.03 0.00 0.00 179.24 178.42 3f6i s GLN 6 N -5.13 2.24 0.01 4.15 1.11 -1.26 -5.05 119.66 115.73 3f6i s GLN 6 Ca -0.12 -2.09 0.22 0.00 0.01 0.00 0.00 55.36 53.38 3f6i s GLN 6 Cb 0.13 -1.93 -0.23 0.00 -1.01 0.00 0.00 33.01 29.97 3f6i s GLN 6 CO 0.85 -0.47 0.71 -2.37 0.01 0.00 0.00 175.29 174.01 3f6i n THR 7 N -1.55 0.07 -3.90 -0.19 5.66 -1.26 -4.98 114.28 108.12 3f6i n THR 7 Ca -0.06 -0.34 -0.09 0.00 -3.05 0.00 0.00 64.05 60.50 3f6i n THR 7 Cb 0.65 0.25 -0.05 0.00 -1.55 0.00 0.00 70.33 69.63 3f6i n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f6i s ARG 8 N -3.33 1.41 0.07 1.09 1.70 -1.26 -4.51 118.95 114.12 3f6i s ARG 8 Ca -0.02 -1.09 0.03 0.00 -0.47 0.00 0.00 55.73 54.18 3f6i s ARG 8 Cb 0.14 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.97 3f6i s ARG 8 CO 0.87 -0.58 -0.09 0.71 -1.08 0.00 0.00 175.30 175.13 3f6i s TYR 9 N -3.95 0.89 -0.29 5.89 1.51 -0.98 -5.03 117.35 115.38 3f6i s TYR 9 Ca 0.16 -0.57 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3f6i s TYR 9 Cb -0.00 -0.51 0.07 0.00 -0.11 0.00 0.00 41.96 41.41 3f6i s TYR 9 CO 0.03 -0.04 -0.04 0.42 -1.11 0.00 0.00 175.55 174.81 3f6i s ILE 10 N -1.85 2.29 -0.40 2.71 -1.09 -1.26 -0.95 121.20 120.65 3f6i s ILE 10 Ca -0.02 -1.88 -0.29 0.00 -2.23 0.00 0.00 60.65 56.22 3f6i s ILE 10 Cb -0.07 -2.48 0.02 0.00 -1.58 0.00 0.00 42.46 38.35 3f6i s ILE 10 CO 0.00 -0.25 1.20 0.12 -1.23 0.00 0.00 174.94 174.78 3f6i s PHE 11 N 1.04 2.79 0.03 3.97 2.19 0.28 -4.94 117.98 123.34 3f6i s PHE 11 Ca -0.01 0.84 -0.23 0.00 0.33 0.00 0.00 56.93 57.86 3f6i s PHE 11 Cb -0.20 -4.15 -0.05 0.00 -1.31 0.00 0.00 43.02 37.31 3f6i s PHE 11 CO -0.06 -1.37 0.71 -0.98 1.83 0.00 0.00 175.22 175.35 3f6i s ARG 12 N 4.31 4.43 0.00 10.12 1.04 -1.26 -0.70 118.95 136.89 3f6i s ARG 12 Ca 0.51 0.95 0.07 0.00 -1.04 0.00 0.00 55.73 56.22 3f6i s ARG 12 Cb -0.11 -3.35 0.31 0.00 -2.04 0.00 0.00 34.95 29.75 3f6i s ARG 12 CO 0.27 0.32 1.18 0.41 -0.04 0.00 0.00 175.30 177.43 3f6i n GLY 13 N 2.39 -0.67 1.20 3.88 0.00 0.23 -1.45 105.19 110.77 3f6i n GLY 13 Ca -0.04 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.04 3f6i n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f6i n ASP 14 N -1.44 4.11 -4.47 1.61 3.85 -1.26 -4.33 116.55 114.62 3f6i n ASP 14 Ca 0.02 -2.45 -0.27 0.00 -0.71 0.00 0.00 54.79 51.39 3f6i n ASP 14 Cb 0.07 -0.48 -0.11 0.00 -1.35 0.00 0.00 41.12 39.25 3f6i n ASP 14 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3f6i s GLU 15 N -1.83 1.69 0.25 0.11 0.41 -0.53 -5.04 118.70 113.76 3f6i s GLU 15 Ca 0.42 -1.48 0.20 0.00 -0.41 0.00 0.00 54.97 53.70 3f6i s GLU 15 Cb 0.28 -1.92 0.08 0.00 -1.78 0.00 0.00 34.13 30.78 3f6i s GLU 15 CO 0.19 0.40 1.23 -0.44 -0.49 0.00 0.00 175.26 176.15 3f6i h ASP 16 N 3.02 0.00 -4.90 -0.19 3.32 -1.94 -3.48 116.42 112.26 3f6i h ASP 16 Ca -0.46 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.62 3f6i h ASP 16 Cb 1.21 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.64 3f6i h ASP 16 CO 0.51 0.20 0.31 0.00 -1.72 0.00 0.00 179.24 178.54 3f6i s ALA 17 N -3.17 -1.65 -0.10 3.45 0.00 -1.26 -4.74 121.76 114.29 3f6i s ALA 17 Ca 0.02 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.60 3f6i s ALA 17 Cb 0.08 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 3f6i s ALA 17 CO 0.75 -0.77 -0.15 -1.17 0.00 0.00 0.00 175.76 174.42 3f6i s LEU 18 N -2.68 2.61 -0.18 0.00 1.98 0.98 -4.93 118.68 116.45 3f6i s LEU 18 Ca 0.03 -0.33 -0.03 0.00 -2.89 0.00 0.00 54.13 50.91 3f6i s LEU 18 Cb -0.01 -1.56 -0.02 0.00 0.66 0.00 0.00 46.19 45.26 3f6i s LEU 18 CO -0.10 0.22 -0.06 0.28 -1.89 0.00 0.00 176.35 174.80 3f6i s THR 19 N -0.01 3.50 -0.06 3.68 -1.32 -1.26 -0.23 115.64 119.95 3f6i s THR 19 Ca -0.05 -0.47 0.05 0.00 -1.21 0.00 0.00 61.69 60.01 3f6i s THR 19 Cb -0.14 -2.55 -0.01 0.00 -1.51 0.00 0.00 72.50 68.29 3f6i s THR 19 CO 0.04 0.46 -0.22 -0.63 -2.21 0.00 0.00 174.62 172.06 3f6i s ILE 20 N 0.88 1.85 -0.29 5.08 -1.09 -0.08 -4.94 121.20 122.61 3f6i s ILE 20 Ca -0.01 -0.94 -0.05 0.00 -2.23 0.00 0.00 60.65 57.42 3f6i s ILE 20 Cb -0.15 -1.57 0.03 0.00 -1.58 0.00 0.00 42.46 39.18 3f6i s ILE 20 CO 0.01 0.52 0.04 0.28 -1.23 0.00 0.00 174.94 174.55 3f6i s THR 21 N -0.01 3.49 0.19 2.92 -1.32 -1.26 0.20 115.64 119.86 3f6i s THR 21 Ca -0.06 -0.98 -0.15 0.00 -1.21 0.00 0.00 61.69 59.29 3f6i s THR 21 Cb -0.14 -2.86 -0.08 0.00 -1.51 0.00 0.00 72.50 67.92 3f6i s THR 21 CO 0.04 0.03 0.61 0.68 -2.21 0.00 0.00 174.62 173.77 3f6i s VAL 22 N 1.40 4.77 0.10 5.08 -7.23 0.29 -3.79 120.40 121.02 3f6i s VAL 22 Ca -0.00 0.92 0.06 0.00 -1.81 0.00 0.00 61.98 61.14 3f6i s VAL 22 Cb -0.18 -3.74 -0.03 0.00 0.56 0.00 0.00 36.38 32.99 3f6i s VAL 22 CO 0.00 0.15 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.90 3f6i s THR 23 N -1.58 1.33 -0.41 5.32 2.01 0.26 -0.30 115.64 122.27 3f6i s THR 23 Ca 0.42 -1.52 -0.17 0.00 0.31 0.00 0.00 61.69 60.74 3f6i s THR 23 Cb -0.14 -1.35 0.02 0.00 0.01 0.00 0.00 72.50 71.03 3f6i s THR 23 CO 0.20 -0.26 0.41 0.21 -0.69 0.00 0.00 174.62 174.48 3f6i s ASN 24 N -2.05 6.18 0.00 3.53 3.84 -0.79 -0.77 114.94 124.88 3f6i s ASN 24 Ca 0.04 -0.66 0.06 0.00 0.21 0.00 0.00 52.86 52.51 3f6i s ASN 24 Cb -0.08 -2.21 0.29 0.00 -0.55 0.00 0.00 41.25 38.70 3f6i s ASN 24 CO 0.03 -0.54 1.10 -0.46 -2.79 0.00 0.00 177.10 174.44 3f6i n ASN 25 N 5.52 0.00 -3.98 -4.21 0.23 0.19 -3.88 115.26 109.12 3f6i n ASN 25 Ca -0.08 0.31 -0.10 0.00 -0.53 0.00 0.00 54.58 54.19 3f6i n ASN 25 Cb 0.47 -0.37 -0.07 0.00 -2.08 0.00 0.00 39.78 37.73 3f6i n ASN 25 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 3f6i s ASP 26 N -2.73 0.08 -1.06 0.53 -4.77 -1.26 -4.60 116.67 102.84 3f6i s ASP 26 Ca 0.05 -0.91 -0.08 0.00 -3.30 0.00 0.00 52.55 48.31 3f6i s ASP 26 Cb 0.04 0.42 0.27 0.00 -1.09 0.00 0.00 42.92 42.55 3f6i s ASP 26 CO 0.10 -0.87 1.04 -0.54 0.70 0.00 0.00 175.17 175.60 3f6i s LYS 27 N -3.98 4.00 0.00 2.11 3.01 -1.26 -2.23 119.74 121.39 3f6i s LYS 27 Ca 0.18 -3.23 0.00 0.00 -1.01 0.00 0.00 55.97 51.91 3f6i s LYS 27 Cb 0.04 -4.43 0.00 0.00 -1.01 0.00 0.00 37.83 32.43 3f6i s LYS 27 CO 0.00 -1.25 0.00 -0.85 0.51 0.00 0.00 175.35 173.77 3f6i n GLU 28 N 2.63 0.00 0.00 1.68 -0.00 -1.26 -5.01 120.64 118.68 3f6i n GLU 28 Ca 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.39 3f6i n GLU 28 Cb 0.39 0.15 0.00 0.00 -0.00 0.00 0.00 31.44 31.98 3f6i n GLU 28 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3f6i n ARG 29 N 0.00 0.00 -2.72 3.44 1.85 -1.26 -4.93 116.66 113.04 3f6i n ARG 29 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 3f6i n ARG 29 Cb 0.07 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.51 3f6i n ARG 29 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3f6i n THR 30 N -0.84 -0.93 -3.45 8.89 -1.04 -0.24 -1.57 114.28 115.10 3f6i n THR 30 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 3f6i n THR 30 Cb 0.00 -2.18 -0.06 0.00 -1.82 0.00 0.00 70.33 66.27 3f6i n THR 30 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3f6i s PHE 31 N -2.94 3.60 0.42 -1.42 0.40 -1.14 -4.10 117.98 112.79 3f6i s PHE 31 Ca 0.17 0.87 -0.23 0.00 -0.60 0.00 0.00 56.93 57.14 3f6i s PHE 31 Cb -0.07 -2.38 -0.09 0.00 0.51 0.00 0.00 43.02 40.98 3f6i s PHE 31 CO 0.20 0.40 1.05 0.20 0.70 0.00 0.00 175.22 177.77 3f6i s GLY 32 N -0.19 2.68 0.02 4.36 0.00 0.28 -1.70 107.32 112.77 3f6i s GLY 32 Ca 0.23 0.68 0.03 0.00 0.00 0.00 0.00 44.72 45.66 3f6i s GLY 32 CO 0.10 1.08 -0.10 -0.32 0.00 0.00 0.00 173.10 173.86 3f6i s GLY 33 N -1.67 0.53 -0.14 0.20 0.00 0.29 0.12 107.32 106.66 3f6i s GLY 33 Ca 0.60 -0.58 -0.07 0.00 0.00 0.00 0.00 44.72 44.67 3f6i s GLY 33 CO 0.26 -0.56 0.32 1.62 0.00 0.00 0.00 173.10 174.73 3f6i s GLN 34 N -0.81 0.28 -0.02 2.90 0.74 -0.06 -0.48 119.66 122.19 3f6i s GLN 34 Ca -0.01 0.68 0.03 0.00 0.05 0.00 0.00 55.36 56.11 3f6i s GLN 34 Cb -0.06 -0.05 -0.00 0.00 1.10 0.00 0.00 33.01 33.99 3f6i s GLN 34 CO 0.00 -0.18 -0.11 0.00 -0.55 0.00 0.00 175.29 174.46 3f6i s ALA 35 N 1.49 1.01 0.14 1.58 0.00 0.25 -0.65 121.76 125.58 3f6i s ALA 35 Ca -0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 3f6i s ALA 35 Cb -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3f6i s ALA 35 CO -0.10 0.19 0.28 1.67 0.00 0.00 0.00 175.76 177.80 3f6i s TRP 36 N 0.04 0.21 -0.18 0.00 -2.14 -1.00 -4.67 118.94 111.21 3f6i s TRP 36 Ca -0.01 -0.59 -0.00 0.00 2.66 0.00 0.00 56.10 58.16 3f6i s TRP 36 Cb -0.08 0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.31 3f6i s TRP 36 CO 0.00 -0.67 -0.15 0.08 -2.66 0.00 0.00 176.95 173.56 3f6i s VAL 37 N -3.91 2.62 0.27 -0.66 1.01 -1.26 0.46 120.40 118.92 3f6i s VAL 37 Ca 0.11 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 3f6i s VAL 37 Cb 0.03 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 3f6i s VAL 37 CO -0.05 0.50 0.56 -1.81 0.00 0.00 0.00 175.10 174.30 3f6i s ASP 38 N 1.10 6.53 0.45 3.32 1.01 0.05 -4.74 116.67 124.39 3f6i s ASP 38 Ca 0.00 0.82 -0.15 0.00 0.71 0.00 0.00 52.55 53.94 3f6i s ASP 38 Cb -0.14 -2.19 -0.08 0.00 1.01 0.00 0.00 42.92 41.52 3f6i s ASP 38 CO -0.05 -0.15 0.89 0.20 0.21 0.00 0.00 175.17 176.27 3f6i s ASN 39 N -2.79 6.64 -0.12 0.27 0.02 -1.26 -1.96 114.94 115.75 3f6i s ASN 39 Ca 0.46 1.41 -0.06 0.00 -1.02 0.00 0.00 52.86 53.65 3f6i s ASN 39 Cb -0.11 -2.44 -0.05 0.00 0.02 0.00 0.00 41.25 38.67 3f6i s ASN 39 CO 0.26 -0.46 -0.15 -0.38 0.02 0.00 0.00 177.10 176.40 3f6i n ILE 40 N -1.24 0.63 -0.09 0.60 5.41 -1.26 -4.82 119.36 118.59 3f6i n ILE 40 Ca 0.05 -0.16 -0.15 0.00 1.00 0.00 0.00 62.75 63.48 3f6i n ILE 40 Cb 0.54 -1.63 -0.09 0.00 -0.71 0.00 0.00 39.64 37.74 3f6i n ILE 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3f6i h VAL 41 N -0.40 0.89 -1.52 1.39 2.07 -1.95 -3.46 116.25 113.26 3f6i h VAL 41 Ca -0.29 -1.92 -0.73 0.00 0.82 0.00 0.00 66.70 64.58 3f6i h VAL 41 Cb 1.26 1.93 0.03 0.00 -1.52 0.00 0.00 31.29 32.99 3f6i h VAL 41 CO -0.17 0.30 0.66 -0.62 0.02 0.00 0.00 177.57 177.76 3f6i n GLU 42 N -4.54 1.00 0.00 1.57 4.71 -1.26 -4.84 120.64 117.28 3f6i n GLU 42 Ca -0.20 0.36 0.15 0.00 -0.01 0.00 0.00 57.16 57.46 3f6i n GLU 42 Cb 0.51 -2.01 0.64 0.00 -1.01 0.00 0.00 31.44 29.57 3f6i n GLU 42 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3f6i n LYS 43 N 3.96 1.46 -4.14 3.49 0.00 -1.26 -4.82 118.16 116.84 3f6i n LYS 43 Ca 0.23 -0.68 -0.27 0.00 -0.00 0.00 0.00 58.31 57.59 3f6i n LYS 43 Cb 0.14 -1.49 -0.07 0.00 -0.00 0.00 0.00 35.03 33.61 3f6i n LYS 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 3f6i s ASP 44 N -2.02 5.13 0.00 -5.58 -4.77 -1.26 -5.02 116.67 103.16 3f6i s ASP 44 Ca 0.40 -0.24 0.29 0.00 -3.30 0.00 0.00 52.55 49.70 3f6i s ASP 44 Cb 0.21 -1.23 1.29 0.00 -1.09 0.00 0.00 42.92 42.10 3f6i s ASP 44 CO 0.35 0.10 1.94 0.35 0.70 0.00 0.00 175.17 178.61 3f6i n THR 45 N -0.04 0.05 -1.75 2.11 -2.24 -1.26 -4.77 114.28 106.38 3f6i n THR 45 Ca -0.09 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3f6i n THR 45 Cb 0.54 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 3f6i n THR 45 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3f6i s ARG 46 N -2.87 4.15 0.22 -0.78 3.52 -1.26 -4.93 118.95 117.01 3f6i s ARG 46 Ca 0.18 2.52 -0.30 0.00 -0.13 0.00 0.00 55.73 58.00 3f6i s ARG 46 Cb 0.19 -3.95 -0.10 0.00 -1.56 0.00 0.00 34.95 29.53 3f6i s ARG 46 CO 0.49 -0.89 1.41 -2.14 -0.81 0.00 0.00 175.30 173.36 3f6i s PRO 47 N 3.82 4.30 0.05 5.12 0.02 -1.26 -4.89 135.00 142.17 3f6i s PRO 47 Ca 0.83 2.22 0.24 0.00 0.02 0.00 0.00 61.00 64.31 3f6i s PRO 47 Cb -0.42 -3.15 0.37 0.00 0.02 0.00 0.00 34.50 31.33 3f6i s PRO 47 CO 0.38 -0.39 1.32 0.25 -0.33 0.00 0.00 177.00 178.22 3f6i n THR 48 N 2.68 0.17 -4.33 0.99 -2.24 -1.26 -4.48 114.28 105.80 3f6i n THR 48 Ca 0.08 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 3f6i n THR 48 Cb 0.41 0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.61 3f6i n THR 48 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3f6i s PHE 49 N -3.10 1.61 -0.06 4.78 0.40 -1.26 -0.72 117.98 119.63 3f6i s PHE 49 Ca 0.08 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 3f6i s PHE 49 Cb 0.15 -0.90 -0.00 0.00 0.51 0.00 0.00 43.02 42.78 3f6i s PHE 49 CO 0.72 0.14 -0.18 0.08 0.70 0.00 0.00 175.22 176.67 3f6i s VAL 50 N -1.09 1.56 -0.04 -0.44 1.01 0.80 -4.61 120.40 117.60 3f6i s VAL 50 Ca 0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3f6i s VAL 50 Cb -0.10 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3f6i s VAL 50 CO 0.03 0.45 0.04 -0.69 0.00 0.00 0.00 175.10 174.93 3f6i s VAL 51 N 0.15 4.53 -0.30 2.92 1.01 -1.26 -1.64 120.40 125.81 3f6i s VAL 51 Ca -0.08 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3f6i s VAL 51 Cb -0.13 -3.00 0.15 0.00 0.00 0.00 0.00 36.38 33.39 3f6i s VAL 51 CO 0.04 0.45 0.67 0.28 0.00 0.00 0.00 175.10 176.53 3f6i s THR 52 N -1.07 -0.95 0.44 3.92 -1.32 -0.91 -3.88 115.64 111.86 3f6i s THR 52 Ca 0.19 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.44 3f6i s THR 52 Cb -0.12 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.79 3f6i s THR 52 CO 0.09 0.00 1.08 -2.16 -2.21 0.00 0.00 174.62 171.42 3f6i s PRO 53 N 2.86 3.94 -0.01 7.08 0.05 -1.26 -1.41 135.00 146.25 3f6i s PRO 53 Ca 0.02 1.56 0.21 0.00 0.05 0.00 0.00 61.00 62.84 3f6i s PRO 53 Cb -0.12 -2.39 -0.24 0.00 0.05 0.00 0.00 34.50 31.79 3f6i s PRO 53 CO -0.19 -0.35 0.54 -1.13 0.05 0.00 0.00 177.00 175.92 3f6i n SER 54 N -0.42 0.25 -3.76 6.66 3.41 -1.25 -4.66 113.62 113.85 3f6i n SER 54 Ca 0.07 0.10 -0.16 0.00 -0.26 0.00 0.00 58.87 58.62 3f6i n SER 54 Cb 0.50 1.33 -0.16 0.00 -0.26 0.00 0.00 64.21 65.62 3f6i n SER 54 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3f6i s PHE 55 N -3.24 0.10 0.21 7.33 5.99 -1.26 -0.58 117.98 126.54 3f6i s PHE 55 Ca -0.06 0.12 -0.23 0.00 0.00 0.00 0.00 56.93 56.75 3f6i s PHE 55 Cb 0.11 -0.32 0.04 0.00 0.00 0.00 0.00 43.02 42.85 3f6i s PHE 55 CO 0.86 -0.12 0.83 -0.59 -0.00 0.00 0.00 175.22 176.20 3f6i s PHE 56 N 1.26 -0.18 0.10 10.12 -0.12 0.36 -4.98 117.98 124.55 3f6i s PHE 56 Ca -0.07 -0.19 0.10 0.00 -0.05 0.00 0.00 56.93 56.72 3f6i s PHE 56 Cb -0.13 0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 3f6i s PHE 56 CO -0.03 -1.02 -0.24 0.15 -0.05 0.00 0.00 175.22 174.04 3f6i s LYS 57 N -3.60 1.64 -0.19 1.99 3.01 -1.26 0.11 119.74 121.42 3f6i s LYS 57 Ca 0.11 -1.23 -0.01 0.00 -1.01 0.00 0.00 55.97 53.83 3f6i s LYS 57 Cb -0.04 -2.00 0.06 0.00 -1.01 0.00 0.00 37.83 34.84 3f6i s LYS 57 CO 0.04 0.48 -0.01 0.08 0.51 0.00 0.00 175.35 176.45 3f6i s VAL 58 N -1.03 0.89 1.05 3.17 1.01 -0.69 -4.95 120.40 119.85 3f6i s VAL 58 Ca 0.15 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 3f6i s VAL 58 Cb -0.10 -1.26 0.18 0.00 0.00 0.00 0.00 36.38 35.20 3f6i s VAL 58 CO 0.06 -0.10 0.86 2.29 0.00 0.00 0.00 175.10 178.22 3f6i n LYS 59 N 4.92 -1.36 -1.66 2.72 0.00 -1.26 -1.08 118.16 120.45 3f6i n LYS 59 Ca -0.10 -0.35 -0.51 0.00 -0.00 0.00 0.00 58.31 57.34 3f6i n LYS 59 Cb 0.47 -2.15 -0.06 0.00 -0.00 0.00 0.00 35.03 33.29 3f6i n LYS 59 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3f6i n PRO 60 N -3.93 1.57 -1.75 -1.58 -0.02 -0.61 -0.02 135.00 128.66 3f6i n PRO 60 Ca 0.06 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 3f6i n PRO 60 Cb 0.54 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 3f6i n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3f6i n ASN 61 N 4.21 -5.60 -4.77 2.55 3.02 -0.95 -4.92 115.26 108.79 3f6i n ASN 61 Ca 0.21 0.43 -0.25 0.00 -0.03 0.00 0.00 54.58 54.94 3f6i n ASN 61 Cb 0.22 -4.89 0.09 0.00 -0.61 0.00 0.00 39.78 34.58 3f6i n ASN 61 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3f6i s GLY 62 N -2.65 1.74 0.00 7.41 0.00 0.97 -4.86 107.32 109.94 3f6i s GLY 62 Ca 0.00 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.49 3f6i s GLY 62 CO 0.00 -0.77 -0.03 1.20 0.00 0.00 0.00 173.10 173.50 3f6i s GLN 63 N -5.21 0.26 -0.07 2.90 -0.21 -1.26 -1.88 119.66 114.18 3f6i s GLN 63 Ca 0.63 -0.16 0.02 0.00 0.02 0.00 0.00 55.36 55.87 3f6i s GLN 63 Cb -0.08 -0.22 0.01 0.00 1.00 0.00 0.00 33.01 33.72 3f6i s GLN 63 CO 0.44 0.06 -0.12 -1.14 -2.12 0.00 0.00 175.29 172.41 3f6i s GLN 64 N -0.22 1.73 0.07 2.91 2.00 0.59 -4.98 119.66 121.76 3f6i s GLN 64 Ca -0.00 -0.42 -0.12 0.00 -2.00 0.00 0.00 55.36 52.82 3f6i s GLN 64 Cb -0.02 -1.44 -0.06 0.00 0.80 0.00 0.00 33.01 32.29 3f6i s GLN 64 CO -0.00 0.01 0.42 0.95 -0.50 0.00 0.00 175.29 176.17 3f6i s THR 65 N 0.72 5.05 -0.11 -0.34 -4.23 -1.26 0.11 115.64 115.58 3f6i s THR 65 Ca -0.13 0.59 0.02 0.00 -1.18 0.00 0.00 61.69 60.99 3f6i s THR 65 Cb -0.16 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 3f6i s THR 65 CO 0.03 0.35 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.52 3f6i s LEU 66 N -1.71 2.44 -0.32 4.79 1.43 0.55 -4.57 118.68 121.28 3f6i s LEU 66 Ca 0.31 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3f6i s LEU 66 Cb -0.15 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3f6i s LEU 66 CO 0.17 0.18 0.20 -0.60 0.23 0.00 0.00 176.35 176.53 3f6i s ARG 67 N 0.23 3.52 -0.17 1.70 3.52 -0.50 -0.90 118.95 126.35 3f6i s ARG 67 Ca -0.12 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 54.81 3f6i s ARG 67 Cb -0.16 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 3f6i s ARG 67 CO 0.06 -0.38 0.04 0.42 -0.81 0.00 0.00 175.30 174.64 3f6i s ILE 68 N 1.69 4.63 0.00 4.11 1.01 0.68 -2.14 121.20 131.18 3f6i s ILE 68 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3f6i s ILE 68 Cb -0.17 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3f6i s ILE 68 CO 0.09 0.47 0.00 2.30 0.00 0.00 0.00 174.94 177.80 3f6i n ILE 69 N 3.47 0.00 0.00 2.92 -5.35 -0.65 -0.02 119.36 119.73 3f6i n ILE 69 Ca -0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3f6i n ILE 69 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 3f6i n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f6i n ALA 71 N -3.00 0.00 -2.46 -1.28 0.00 0.10 -0.14 120.51 113.74 3f6i n ALA 71 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3f6i n ALA 71 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3f6i n ALA 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3f6i s SER 72 N -0.55 3.91 -0.74 0.00 0.15 -1.02 -5.01 113.70 110.43 3f6i s SER 72 Ca 0.00 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.41 3f6i s SER 72 Cb 0.00 -0.75 0.25 0.00 -1.71 0.00 0.00 66.02 63.81 3f6i s SER 72 CO 0.00 0.32 0.87 -0.67 1.20 0.00 0.00 173.24 174.96 3f6i n ASP 73 N 2.09 4.24 -0.28 5.45 2.03 -1.26 -4.76 116.55 124.05 3f6i n ASP 73 Ca -0.17 -3.41 0.01 0.00 0.52 0.00 0.00 54.79 51.74 3f6i n ASP 73 Cb 0.52 -0.81 0.02 0.00 -0.72 0.00 0.00 41.12 40.13 3f6i n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3f6i n HIS 74 N 1.07 0.00 -3.32 -0.67 1.44 -1.26 -5.10 115.22 107.39 3f6i n HIS 74 Ca 0.28 -0.14 -0.37 0.00 -2.01 0.00 0.00 57.72 55.48 3f6i n HIS 74 Cb 0.39 -0.05 -0.06 0.00 0.12 0.00 0.00 29.99 30.39 3f6i n HIS 74 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3f6i s LEU 75 N -0.38 4.44 0.47 2.39 1.02 -1.26 -5.04 118.68 120.31 3f6i s LEU 75 Ca 0.04 1.17 -0.22 0.00 0.02 0.00 0.00 54.13 55.14 3f6i s LEU 75 Cb 0.03 -3.06 -0.11 0.00 0.02 0.00 0.00 46.19 43.07 3f6i s LEU 75 CO 0.00 0.20 0.67 -2.65 0.02 0.00 0.00 176.35 174.59 3f6i n PRO 76 N 1.30 0.75 -0.19 1.29 -0.02 -1.26 -4.91 135.00 131.95 3f6i n PRO 76 Ca -0.08 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.77 3f6i n PRO 76 Cb 0.51 -1.71 0.19 0.00 -0.02 0.00 0.00 33.50 32.47 3f6i n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3f6i n LYS 77 N 0.24 2.37 0.00 -0.52 4.76 -1.26 -4.51 118.16 119.24 3f6i n LYS 77 Ca 0.11 -2.12 0.00 0.00 -2.87 0.00 0.00 58.31 53.43 3f6i n LYS 77 Cb 0.42 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 3f6i n LYS 77 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3f6i n ASP 78 N 1.11 0.06 -3.82 4.39 5.75 -1.26 -4.56 116.55 118.21 3f6i n ASP 78 Ca 0.16 -0.36 -0.11 0.00 -0.01 0.00 0.00 54.79 54.47 3f6i n ASP 78 Cb 0.51 0.73 -0.09 0.00 -1.03 0.00 0.00 41.12 41.24 3f6i n ASP 78 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3f6i s LYS 79 N -0.75 0.63 0.59 0.11 -2.85 -1.26 -4.72 119.74 111.50 3f6i s LYS 79 Ca 0.00 -0.44 -0.11 0.00 -1.00 0.00 0.00 55.97 54.43 3f6i s LYS 79 Cb 0.00 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 3f6i s LYS 79 CO 0.00 -0.17 0.99 -1.83 0.10 0.00 0.00 175.35 174.43 3f6i s GLU 80 N -1.89 3.62 0.11 1.78 -1.05 -0.67 -4.66 118.70 115.94 3f6i s GLU 80 Ca -0.10 0.68 0.05 0.00 -0.15 0.00 0.00 54.97 55.45 3f6i s GLU 80 Cb -0.04 -2.13 -0.04 0.00 -0.44 0.00 0.00 34.13 31.48 3f6i s GLU 80 CO -0.00 -0.48 -0.12 -1.54 0.95 0.00 0.00 175.26 174.06 3f6i s SER 81 N -4.06 1.74 0.10 0.83 1.04 -1.09 -4.81 113.70 107.45 3f6i s SER 81 Ca 0.54 -0.79 0.06 0.00 0.48 0.00 0.00 55.95 56.24 3f6i s SER 81 Cb -0.11 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 3f6i s SER 81 CO 0.50 -0.18 -0.05 -0.69 0.98 0.00 0.00 173.24 173.80 3f6i s VAL 82 N -2.16 3.70 0.06 5.02 1.01 -1.26 -1.22 120.40 125.55 3f6i s VAL 82 Ca 0.06 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 3f6i s VAL 82 Cb -0.05 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3f6i s VAL 82 CO 0.02 0.11 0.04 -0.31 0.00 0.00 0.00 175.10 174.96 3f6i s TYR 83 N -1.27 0.42 -0.38 5.22 1.51 0.42 -4.09 117.35 119.17 3f6i s TYR 83 Ca 0.24 -0.93 -0.15 0.00 -1.01 0.00 0.00 57.07 55.22 3f6i s TYR 83 Cb -0.11 -0.29 0.01 0.00 -0.11 0.00 0.00 41.96 41.45 3f6i s TYR 83 CO 0.16 -0.44 0.30 -1.58 -1.11 0.00 0.00 175.55 172.88 3f6i s TRP 84 N -3.91 3.23 -0.12 2.71 0.52 -0.83 0.15 118.94 120.69 3f6i s TRP 84 Ca 0.07 -0.41 -0.28 0.00 0.02 0.00 0.00 56.10 55.49 3f6i s TRP 84 Cb 0.07 -2.58 -0.01 0.00 -1.15 0.00 0.00 33.47 29.79 3f6i s TRP 84 CO -0.10 -0.51 0.96 -1.17 0.02 0.00 0.00 176.95 176.15 3f6i s LEU 85 N 1.75 4.23 -0.07 2.99 2.96 0.12 -0.77 118.68 129.90 3f6i s LEU 85 Ca 0.06 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.43 3f6i s LEU 85 Cb -0.18 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3f6i s LEU 85 CO 0.11 -0.43 -0.09 0.20 -1.32 0.00 0.00 176.35 174.81 3f6i s ASN 86 N 1.10 4.44 -0.22 3.68 0.01 0.17 -0.86 114.94 123.26 3f6i s ASN 86 Ca 0.46 -0.09 -0.01 0.00 -0.71 0.00 0.00 52.86 52.51 3f6i s ASN 86 Cb -0.18 -1.09 0.06 0.00 0.41 0.00 0.00 41.25 40.45 3f6i s ASN 86 CO 0.16 0.35 0.01 -0.22 -1.51 0.00 0.00 177.10 175.89 3f6i s LEU 87 N -0.73 1.74 -0.23 0.60 0.20 -0.07 -2.37 118.68 117.81 3f6i s LEU 87 Ca 0.11 -1.01 -0.06 0.00 0.69 0.00 0.00 54.13 53.87 3f6i s LEU 87 Cb -0.11 -0.81 -0.02 0.00 -0.43 0.00 0.00 46.19 44.81 3f6i s LEU 87 CO 0.01 -0.29 0.03 -1.58 -0.29 0.00 0.00 176.35 174.23 3f6i s GLN 88 N 1.68 3.59 0.56 1.98 2.00 0.18 -0.53 119.66 129.13 3f6i s GLN 88 Ca -0.02 -0.52 -0.01 0.00 -2.00 0.00 0.00 55.36 52.82 3f6i s GLN 88 Cb -0.18 -3.19 0.03 0.00 0.80 0.00 0.00 33.01 30.47 3f6i s GLN 88 CO -0.09 -0.13 0.81 0.16 -0.50 0.00 0.00 175.29 175.54 3f6i s ASP 89 N 1.41 5.30 -0.27 6.67 1.47 -0.80 -0.89 116.67 129.57 3f6i s ASP 89 Ca 0.05 0.16 -0.03 0.00 1.18 0.00 0.00 52.55 53.90 3f6i s ASP 89 Cb -0.15 -1.06 0.10 0.00 -0.34 0.00 0.00 42.92 41.48 3f6i s ASP 89 CO 0.02 -1.15 0.17 -0.63 0.68 0.00 0.00 175.17 174.25 3f6i s ILE 90 N -2.83 -0.17 0.82 2.11 1.01 0.33 -4.49 121.20 117.98 3f6i s ILE 90 Ca 0.56 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 60.53 3f6i s ILE 90 Cb -0.10 -0.90 0.09 0.00 0.01 0.00 0.00 42.46 41.56 3f6i s ILE 90 CO 0.40 -0.56 1.19 -2.84 0.00 0.00 0.00 174.94 173.12 3f6i s PRO 91 N 2.19 1.59 0.85 2.79 0.02 -1.26 0.99 135.00 142.17 3f6i s PRO 91 Ca 0.08 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 62.67 3f6i s PRO 91 Cb -0.15 -1.78 0.10 0.00 0.02 0.00 0.00 34.50 32.69 3f6i s PRO 91 CO -0.30 -2.24 1.09 -2.14 -0.33 0.00 0.00 177.00 173.09 3f6i s PRO 92 N -4.25 1.66 0.50 5.54 0.02 -1.26 -4.77 135.00 132.44 3f6i s PRO 92 Ca 0.71 0.78 -0.23 0.00 0.02 0.00 0.00 61.00 62.28 3f6i s PRO 92 Cb -0.27 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 3f6i s PRO 92 CO 0.52 -1.96 1.38 0.00 -0.33 0.00 0.00 177.00 176.61 3f6i s ALA 93 N -3.01 2.99 0.30 -1.55 0.00 -1.26 -4.97 121.76 114.26 3f6i s ALA 93 Ca 0.62 1.37 -0.28 0.00 0.00 0.00 0.00 51.96 53.68 3f6i s ALA 93 Cb -0.17 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.29 3f6i s ALA 93 CO 0.56 -1.28 1.02 -0.51 0.00 0.00 0.00 175.76 175.55 3f6i s LEU 94 N -3.18 4.44 -0.80 0.00 1.43 -1.26 -4.98 118.68 114.33 3f6i s LEU 94 Ca 0.67 2.05 -0.26 0.00 -1.03 0.00 0.00 54.13 55.56 3f6i s LEU 94 Cb -0.41 -3.83 0.03 0.00 0.03 0.00 0.00 46.19 42.02 3f6i s LEU 94 CO 0.51 -0.13 1.33 -1.83 0.23 0.00 0.00 176.35 176.46 3f6i s GLU 95 N -1.74 3.27 3.46 1.70 4.04 -1.26 -4.80 118.70 123.38 3f6i s GLU 95 Ca 0.48 -0.42 0.00 0.00 0.04 0.00 0.00 54.97 55.06 3f6i s GLU 95 Cb -0.26 -4.45 0.00 0.00 0.02 0.00 0.00 34.13 29.44 3f6i s GLU 95 CO 0.32 -2.18 0.00 0.41 -1.84 0.00 0.00 175.26 171.97 3f6i n GLY 96 N 5.73 0.46 3.97 -3.83 0.00 -1.26 -4.92 105.19 105.34 3f6i n GLY 96 Ca 0.10 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 3f6i n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f6i s SER 97 N -4.00 5.88 0.00 1.61 1.04 -1.26 -5.05 113.70 111.92 3f6i s SER 97 Ca 0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3f6i s SER 97 Cb 0.00 -1.19 0.00 0.00 0.10 0.00 0.00 66.02 64.93 3f6i s SER 97 CO 0.00 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3f6i n GLY 98 N -1.61 0.29 2.80 7.32 0.00 -1.26 -5.08 105.19 107.64 3f6i n GLY 98 Ca -0.00 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 3f6i n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6i s ILE 99 N -3.89 0.20 -0.17 -0.61 1.01 -1.26 -5.14 121.20 111.34 3f6i s ILE 99 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 3f6i s ILE 99 Cb 0.00 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 3f6i s ILE 99 CO 0.00 0.18 0.05 0.00 0.00 0.00 0.00 174.94 175.17 3f6i s ALA 100 N 1.33 3.39 -0.24 9.38 0.00 -1.26 -5.09 121.76 129.27 3f6i s ALA 100 Ca -0.05 -0.75 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 3f6i s ALA 100 Cb -0.13 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3f6i s ALA 100 CO -0.02 0.22 0.30 0.14 0.00 0.00 0.00 175.76 176.40 3f6i s VAL 101 N 0.25 5.25 -0.12 0.00 -7.23 -1.26 -5.07 120.40 112.22 3f6i s VAL 101 Ca 0.03 0.45 0.01 0.00 -1.81 0.00 0.00 61.98 60.66 3f6i s VAL 101 Cb -0.12 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.17 3f6i s VAL 101 CO 0.00 0.25 -0.16 0.00 -0.31 0.00 0.00 175.10 174.89 3f6i s ALA 102 N 1.52 2.51 -0.16 1.32 0.00 -1.26 -4.61 121.76 121.08 3f6i s ALA 102 Ca 0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 3f6i s ALA 102 Cb -0.15 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 3f6i s ALA 102 CO 0.08 0.27 -0.07 -0.51 0.00 0.00 0.00 175.76 175.53 3f6i s LEU 103 N 0.33 3.01 -0.21 0.00 1.43 -1.26 -4.99 118.68 116.98 3f6i s LEU 103 Ca -0.13 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3f6i s LEU 103 Cb -0.16 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3f6i s LEU 103 CO 0.06 0.13 0.06 -0.60 0.23 0.00 0.00 176.35 176.23 3f6i s ARG 104 N 0.57 3.78 -0.14 1.70 3.52 -1.26 -1.91 118.95 125.22 3f6i s ARG 104 Ca -0.05 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3f6i s ARG 104 Cb -0.15 -3.24 -0.00 0.00 -1.56 0.00 0.00 34.95 30.00 3f6i s ARG 104 CO 0.03 0.03 -0.18 -0.08 -0.81 0.00 0.00 175.30 174.30 3f6i s THR 105 N 1.01 2.50 -0.17 4.11 -1.32 0.31 -4.97 115.64 117.12 3f6i s THR 105 Ca 0.04 -0.84 0.01 0.00 -1.21 0.00 0.00 61.69 59.69 3f6i s THR 105 Cb -0.14 -2.03 0.01 0.00 -1.51 0.00 0.00 72.50 68.83 3f6i s THR 105 CO 0.03 0.53 -0.18 -0.75 -2.21 0.00 0.00 174.62 172.03 3f6i s LYS 106 N 0.64 3.07 0.05 7.08 2.20 -1.26 -0.89 119.74 130.63 3f6i s LYS 106 Ca -0.09 -0.81 0.05 0.00 -0.36 0.00 0.00 55.97 54.76 3f6i s LYS 106 Cb -0.16 -2.57 -0.02 0.00 -1.51 0.00 0.00 37.83 33.56 3f6i s LYS 106 CO 0.02 -0.10 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.26 3f6i s LEU 107 N 1.06 2.20 -0.03 5.43 1.43 -0.04 -4.97 118.68 123.76 3f6i s LEU 107 Ca -0.01 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 3f6i s LEU 107 Cb -0.14 -0.58 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 3f6i s LEU 107 CO -0.06 0.01 1.39 -0.54 0.23 0.00 0.00 176.35 177.37 3f6i s LYS 108 N -1.28 4.27 -0.35 1.70 1.02 -1.26 0.11 119.74 123.95 3f6i s LYS 108 Ca 0.01 1.92 -0.08 0.00 0.02 0.00 0.00 55.97 57.83 3f6i s LYS 108 Cb -0.08 -3.64 0.03 0.00 -0.52 0.00 0.00 37.83 33.62 3f6i s LYS 108 CO 0.01 -0.60 0.14 -1.17 -0.92 0.00 0.00 175.35 172.81 3f6i s LEU 109 N 2.67 4.40 -0.06 3.17 2.96 0.39 -2.33 118.68 129.89 3f6i s LEU 109 Ca 0.63 -1.00 -0.20 0.00 -0.22 0.00 0.00 54.13 53.34 3f6i s LEU 109 Cb -0.30 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 3f6i s LEU 109 CO 0.25 -0.33 0.57 -0.36 -1.32 0.00 0.00 176.35 175.16 3f6i s PHE 110 N 1.48 3.60 -0.27 5.38 0.40 -0.13 -0.43 117.98 128.02 3f6i s PHE 110 Ca 0.01 1.09 -0.13 0.00 -0.60 0.00 0.00 56.93 57.30 3f6i s PHE 110 Cb -0.19 -2.62 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 3f6i s PHE 110 CO 0.04 0.24 0.29 -0.47 0.70 0.00 0.00 175.22 176.03 3f6i s TYR 111 N 0.27 3.25 -0.36 0.36 5.04 -0.36 0.10 117.35 125.65 3f6i s TYR 111 Ca 0.30 0.30 -0.02 0.00 -2.44 0.00 0.00 57.07 55.22 3f6i s TYR 111 Cb -0.17 -2.47 0.09 0.00 0.35 0.00 0.00 41.96 39.75 3f6i s TYR 111 CO 0.15 -0.16 0.11 0.50 -1.34 0.00 0.00 175.55 174.80 3f6i s ARG 112 N 1.82 2.08 0.79 4.97 3.52 0.12 -2.69 118.95 129.57 3f6i s ARG 112 Ca 0.12 -1.63 -0.15 0.00 -0.13 0.00 0.00 55.73 53.94 3f6i s ARG 112 Cb -0.16 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 3f6i s ARG 112 CO 0.10 -0.89 0.62 -2.30 -0.81 0.00 0.00 175.30 172.01 3f6i n PRO 113 N 4.56 0.15 -0.24 5.12 -0.02 -1.26 0.78 135.00 144.09 3f6i n PRO 113 Ca -0.05 0.10 -0.02 0.00 -2.02 0.00 0.00 63.50 61.51 3f6i n PRO 113 Cb 0.42 -1.95 0.04 0.00 -0.02 0.00 0.00 33.50 32.00 3f6i n PRO 113 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3f6i h LYS 114 N -0.75 -0.08 -1.02 -0.52 -0.00 -1.87 -0.50 116.57 111.83 3f6i h LYS 114 Ca -0.45 0.01 0.29 0.00 -0.00 0.00 0.00 60.65 60.49 3f6i h LYS 114 Cb 1.32 0.02 -0.05 0.00 -0.00 0.00 0.00 32.23 33.52 3f6i h LYS 114 CO 0.41 -0.05 0.72 0.00 -0.00 0.00 0.00 179.45 180.53 3f6i h ALA 115 N 1.34 2.85 -0.02 0.07 0.00 -1.90 -2.58 119.26 119.02 3f6i h ALA 115 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3f6i h ALA 115 Cb 0.55 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3f6i h ALA 115 CO -0.73 -1.15 -0.32 1.28 0.00 0.00 0.00 179.25 178.32 3f6i n LEU 116 N -4.29 2.27 -0.29 0.00 4.32 -0.20 -4.36 117.00 114.46 3f6i n LEU 116 Ca 0.22 -0.81 0.04 0.00 -0.02 0.00 0.00 56.01 55.44 3f6i n LEU 116 Cb 1.04 -0.00 0.24 0.00 -1.62 0.00 0.00 43.42 43.08 3f6i n LEU 116 CO 0.38 0.41 1.25 -0.07 -1.22 0.00 0.00 177.39 178.13 3f6i h LEU 117 N 3.07 0.90 -0.96 2.23 3.38 -1.47 -2.48 115.31 119.98 3f6i h LEU 117 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3f6i h LEU 117 Cb 0.82 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3f6i h LEU 117 CO 0.00 0.59 -0.13 -0.33 0.09 0.00 0.00 178.44 178.65 3f6i h GLU 118 N 1.03 0.60 0.00 1.13 5.08 -1.81 -3.45 114.58 117.16 3f6i h GLU 118 Ca 0.38 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3f6i h GLU 118 Cb 0.16 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3f6i h GLU 118 CO -0.13 0.72 0.00 0.41 -1.00 0.00 0.00 179.01 179.01 3f6i n GLY 119 N -0.52 -0.97 0.00 -3.84 0.00 -0.94 -4.83 105.19 94.09 3f6i n GLY 119 Ca 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3f6i n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f6i n ARG 120 N 0.00 0.00 -1.48 1.61 5.12 -1.26 -5.02 116.66 115.63 3f6i n ARG 120 Ca 0.00 0.00 -0.53 0.00 -1.93 0.00 0.00 57.85 55.39 3f6i n ARG 120 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 3f6i n ARG 120 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3f6i n LYS 121 N 0.00 1.01 -0.16 5.56 4.76 -1.26 0.19 118.16 128.26 3f6i n LYS 121 Ca 0.00 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 3f6i n LYS 121 Cb 0.00 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 30.90 3f6i n LYS 121 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f6i n GLY 122 N 6.13 1.73 0.33 0.72 0.00 -1.26 -4.91 105.19 107.93 3f6i n GLY 122 Ca 0.39 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.60 3f6i n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6i h ALA 123 N 0.00 1.46 -2.37 4.61 0.00 0.16 -2.76 119.26 120.36 3f6i h ALA 123 Ca 0.00 0.29 -0.63 0.00 0.00 0.00 0.00 54.91 54.57 3f6i h ALA 123 Cb 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 18.10 3f6i h ALA 123 CO 0.00 -0.64 0.10 -1.83 0.00 0.00 0.00 179.25 176.88 3f6i s GLU 124 N -5.86 3.72 0.03 0.00 1.03 -1.26 -3.28 118.70 113.08 3f6i s GLU 124 Ca -0.12 0.07 0.01 0.00 0.03 0.00 0.00 54.97 54.96 3f6i s GLU 124 Cb 0.29 -3.79 -0.02 0.00 -0.80 0.00 0.00 34.13 29.82 3f6i s GLU 124 CO 0.78 -0.67 -0.06 -1.21 -1.33 0.00 0.00 175.26 172.77 3f6i s GLU 125 N 2.62 0.41 4.60 -4.83 0.41 -1.04 -4.66 118.70 116.21 3f6i s GLU 125 Ca 0.23 -0.58 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 3f6i s GLU 125 Cb -0.15 -0.18 0.00 0.00 -1.78 0.00 0.00 34.13 32.02 3f6i s GLU 125 CO 0.14 0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.35 3f6i n GLY 126 N 1.84 1.73 2.21 -1.39 0.00 -1.20 -4.53 105.19 103.85 3f6i n GLY 126 Ca -0.21 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 3f6i n GLY 126 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3f6i n ILE 127 N 0.00 0.00 -2.36 -0.61 2.08 -1.26 -4.47 119.36 112.73 3f6i n ILE 127 Ca 0.00 0.00 -0.27 0.00 0.56 0.00 0.00 62.75 63.04 3f6i n ILE 127 Cb 0.00 -0.34 0.03 0.00 -0.75 0.00 0.00 39.64 38.59 3f6i n ILE 127 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3f6i s SER 128 N 3.94 5.55 -0.25 4.38 0.15 0.55 -4.80 113.70 123.22 3f6i s SER 128 Ca 0.80 0.72 0.00 0.00 0.70 0.00 0.00 55.95 58.18 3f6i s SER 128 Cb -1.01 -1.69 0.07 0.00 -1.71 0.00 0.00 66.02 61.68 3f6i s SER 128 CO 0.45 -1.10 -0.00 -0.22 1.20 0.00 0.00 173.24 173.57 3f6i s LEU 129 N -5.02 2.41 -0.07 3.45 1.98 -1.26 0.26 118.68 120.43 3f6i s LEU 129 Ca 0.54 -1.27 0.11 0.00 -2.89 0.00 0.00 54.13 50.62 3f6i s LEU 129 Cb -0.11 -1.04 -0.15 0.00 0.66 0.00 0.00 46.19 45.55 3f6i s LEU 129 CO 0.45 -0.29 0.12 0.00 -1.89 0.00 0.00 176.35 174.74 3f6i n GLN 130 N 4.74 1.51 -2.14 1.98 0.00 -1.26 -5.03 117.38 117.18 3f6i n GLN 130 Ca -0.08 -0.04 -0.43 0.00 0.00 0.00 0.00 57.00 56.45 3f6i n GLN 130 Cb 0.44 -1.28 -0.03 0.00 0.00 0.00 0.00 30.24 29.38 3f6i n GLN 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3f6i s LEU 139 N -4.43 4.17 -0.32 2.61 2.01 -0.41 -5.23 118.68 117.08 3f6i s LEU 139 Ca -0.05 1.93 0.03 0.00 0.01 0.00 0.00 54.13 56.05 3f6i s LEU 139 Cb 0.05 -3.53 0.09 0.00 0.01 0.00 0.00 46.19 42.81 3f6i s LEU 139 CO 0.46 -0.97 0.04 -0.69 1.01 0.00 0.00 176.35 176.19 3f6i s VAL 140 N 4.21 2.01 -0.87 -1.59 1.01 0.14 -2.48 120.40 122.83 3f6i s VAL 140 Ca 0.68 -2.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.36 3f6i s VAL 140 Cb -0.28 -2.44 -0.19 0.00 0.00 0.00 0.00 36.38 33.47 3f6i s VAL 140 CO 0.26 -0.53 2.18 -3.20 0.00 0.00 0.00 175.10 173.81 3f6i n ASN 141 N 4.38 1.11 -1.68 3.32 2.85 -1.05 -0.33 115.26 123.87 3f6i n ASN 141 Ca 0.00 -1.82 -0.11 0.00 -0.11 0.00 0.00 54.58 52.55 3f6i n ASN 141 Cb 0.42 -1.54 0.14 0.00 1.24 0.00 0.00 39.78 40.05 3f6i n ASN 141 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3f6i n THR 142 N 8.40 2.23 -4.38 -0.44 -2.24 -1.26 -0.47 114.28 116.12 3f6i n THR 142 Ca 0.43 -1.12 -0.24 0.00 -2.27 0.00 0.00 64.05 60.85 3f6i n THR 142 Cb 0.43 -0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 67.97 3f6i n THR 142 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f6i s THR 143 N -2.05 2.76 -0.58 4.28 -4.23 -1.26 -4.89 115.64 109.67 3f6i s THR 143 Ca 0.35 -2.09 0.05 0.00 -1.18 0.00 0.00 61.69 58.82 3f6i s THR 143 Cb 0.29 -2.67 0.36 0.00 1.34 0.00 0.00 72.50 71.82 3f6i s THR 143 CO 0.07 -0.29 1.12 -0.81 -0.54 0.00 0.00 174.62 174.17 3f6i n PRO 144 N -0.84 2.54 -4.37 3.99 -0.05 -1.26 -4.32 135.00 130.69 3f6i n PRO 144 Ca -0.05 -1.40 -0.29 0.00 -0.05 0.00 0.00 63.50 61.71 3f6i n PRO 144 Cb 0.61 -1.79 -0.12 0.00 -0.05 0.00 0.00 33.50 32.15 3f6i n PRO 144 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 3f6i s TYR 145 N -1.73 2.38 -0.29 0.54 1.51 -1.26 -1.67 117.35 116.82 3f6i s TYR 145 Ca 0.25 -0.34 -0.13 0.00 -1.01 0.00 0.00 57.07 55.84 3f6i s TYR 145 Cb 0.19 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 3f6i s TYR 145 CO 0.07 0.39 0.27 0.42 -1.11 0.00 0.00 175.55 175.60 3f6i s ILE 146 N -1.25 5.25 0.05 2.71 1.01 -1.26 -3.60 121.20 124.11 3f6i s ILE 146 Ca 0.17 0.24 0.02 0.00 0.00 0.00 0.00 60.65 61.08 3f6i s ILE 146 Cb -0.10 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3f6i s ILE 146 CO 0.08 0.15 0.05 -0.36 0.00 0.00 0.00 174.94 174.87 3f6i s PHE 147 N 1.89 3.16 -0.78 3.97 2.99 -0.29 -4.93 117.98 123.98 3f6i s PHE 147 Ca 0.10 0.09 0.03 0.00 0.00 0.00 0.00 56.93 57.14 3f6i s PHE 147 Cb -0.16 -1.64 0.20 0.00 0.00 0.00 0.00 43.02 41.42 3f6i s PHE 147 CO 0.11 0.51 0.65 0.00 -0.00 0.00 0.00 175.22 176.49 3f6i n ALA 148 N 0.80 3.68 -2.22 5.36 0.00 -1.26 -1.12 120.51 125.76 3f6i n ALA 148 Ca -0.11 -4.60 -0.42 0.00 0.00 0.00 0.00 53.44 48.31 3f6i n ALA 148 Cb 0.52 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 3f6i n ALA 148 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3f6i s ILE 149 N -1.61 3.70 -0.55 0.00 1.09 -0.45 -1.61 121.20 121.78 3f6i s ILE 149 Ca 0.28 0.68 0.23 0.00 -1.10 0.00 0.00 60.65 60.73 3f6i s ILE 149 Cb -0.03 -4.04 -0.12 0.00 -1.06 0.00 0.00 42.46 37.22 3f6i s ILE 149 CO -0.13 -0.73 1.00 0.61 -0.10 0.00 0.00 174.94 175.59 3f6i n GLY 150 N 5.27 -1.22 1.15 6.18 0.00 -1.13 -4.01 105.19 111.43 3f6i n GLY 150 Ca 0.18 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 3f6i n GLY 150 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3f6i n SER 151 N -2.04 -0.56 0.00 1.61 7.64 -1.24 -5.04 113.62 113.99 3f6i n SER 151 Ca 0.01 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.31 3f6i n SER 151 Cb 0.45 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 3f6i n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f6i n LEU 152 N 0.00 0.00 0.00 -3.43 -0.00 -1.26 -3.85 117.00 108.46 3f6i n LEU 152 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 3f6i n LEU 152 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 3f6i n LEU 152 CO 0.09 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 176.81 3f6i n ASP 163 N 0.00 0.00 0.00 1.45 4.64 -1.26 -4.67 116.55 116.71 3f6i n ASP 163 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3f6i n ASP 163 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3f6i n ASP 163 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3f6i n ASN 164 N 0.00 0.00 0.07 1.67 2.04 -1.26 -4.83 115.26 112.95 3f6i n ASN 164 Ca 0.00 0.00 -0.07 0.00 -0.44 0.00 0.00 54.58 54.07 3f6i n ASN 164 Cb 0.00 0.00 0.07 0.00 -2.53 0.00 0.00 39.78 37.32 3f6i n ASN 164 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 3f6i h GLY 165 N 0.00 0.31 -0.95 4.83 0.00 -2.06 -2.86 103.07 102.34 3f6i h GLY 165 Ca 0.00 -0.43 0.18 0.00 0.00 0.00 0.00 47.33 47.07 3f6i h GLY 165 CO 0.00 0.39 -0.28 2.41 0.00 0.00 0.00 176.54 179.05 3f6i n THR 166 N -3.82 -0.43 -0.37 4.70 -1.04 -1.26 -0.79 114.28 111.26 3f6i n THR 166 Ca -0.03 2.20 -0.07 0.00 -2.04 0.00 0.00 64.05 64.11 3f6i n THR 166 Cb 0.68 -3.00 -0.04 0.00 -1.82 0.00 0.00 70.33 66.14 3f6i n THR 166 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3f6i h THR 167 N 0.00 0.01 0.00 12.58 2.02 -1.82 0.62 112.91 126.32 3f6i h THR 167 Ca 0.42 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.59 3f6i h THR 167 Cb 0.66 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3f6i h THR 167 CO -0.97 0.00 -0.03 1.56 0.37 0.00 0.00 175.52 176.45 3f6i h GLN 168 N -0.04 0.00 0.10 6.66 1.08 -1.09 -1.03 115.11 120.79 3f6i h GLN 168 Ca 0.22 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.16 3f6i h GLN 168 Cb 0.50 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3f6i h GLN 168 CO -0.92 0.03 -1.19 0.87 -0.95 0.00 0.00 178.83 176.67 3f6i h LYS 169 N 0.00 0.22 0.00 1.46 1.79 0.60 -3.20 116.57 117.43 3f6i h LYS 169 Ca -0.00 -0.37 -0.03 0.00 -2.18 0.00 0.00 60.65 58.07 3f6i h LYS 169 Cb 0.12 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 3f6i h LYS 169 CO 0.00 1.18 -0.16 -0.07 -1.08 0.00 0.00 179.45 179.32 3f6i h LEU 170 N 0.06 0.00 -2.62 2.94 4.07 0.55 -3.06 115.31 117.25 3f6i h LEU 170 Ca -0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.85 3f6i h LEU 170 Cb 1.93 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.67 3f6i h LEU 170 CO 0.19 0.16 0.00 0.18 -1.08 0.00 0.00 178.44 177.89 3f6i n LEU 171 N -3.32 4.26 0.00 1.67 4.77 -0.66 -1.34 117.00 122.38 3f6i n LEU 171 Ca 0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 3f6i n LEU 171 Cb 0.39 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3f6i n LEU 171 CO 0.32 0.78 0.00 0.33 -1.33 0.00 0.00 177.39 177.48 3f6i n PHE 173 N 1.12 0.00 -2.72 -1.77 7.35 -0.27 -4.42 117.46 116.75 3f6i n PHE 173 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 3f6i n PHE 173 Cb 0.48 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.28 3f6i n PHE 173 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3f6i s PRO 175 N -2.25 4.51 0.00 -7.13 0.02 -1.24 -1.14 135.00 127.78 3f6i s PRO 175 Ca 0.00 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.40 3f6i s PRO 175 Cb 0.00 -3.48 0.00 0.00 0.02 0.00 0.00 34.50 31.04 3f6i s PRO 175 CO 0.00 -0.12 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 3f6i n GLY 176 N 2.97 0.75 3.78 0.52 0.00 0.38 -5.03 105.19 108.57 3f6i n GLY 176 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3f6i n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f6i s ASP 177 N -2.53 5.35 -0.08 1.61 -0.00 -1.26 -4.82 116.67 114.95 3f6i s ASP 177 Ca 0.00 1.93 -0.01 0.00 -0.00 0.00 0.00 52.55 54.47 3f6i s ASP 177 Cb 0.00 -2.54 0.03 0.00 -0.00 0.00 0.00 42.92 40.40 3f6i s ASP 177 CO 0.00 -1.46 -0.01 -1.61 -0.00 0.00 0.00 175.17 172.09 3f6i s GLU 178 N -4.09 0.79 -0.13 8.23 2.02 -1.26 -2.52 118.70 121.74 3f6i s GLU 178 Ca 0.66 0.04 0.03 0.00 0.02 0.00 0.00 54.97 55.71 3f6i s GLU 178 Cb -0.19 -1.10 0.00 0.00 0.10 0.00 0.00 34.13 32.95 3f6i s GLU 178 CO 0.40 -0.30 -0.21 0.54 0.02 0.00 0.00 175.26 175.71 3f6i s VAL 179 N 1.92 2.19 0.07 2.63 0.11 -1.04 -5.01 120.40 121.28 3f6i s VAL 179 Ca 0.05 -0.95 -0.30 0.00 -2.93 0.00 0.00 61.98 57.85 3f6i s VAL 179 Cb -0.12 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 3f6i s VAL 179 CO -0.06 0.55 1.06 -1.10 -3.33 0.00 0.00 175.10 172.22 3f6i s GLN 180 N 0.64 4.56 0.00 1.54 -1.52 -1.26 -1.29 119.66 122.32 3f6i s GLN 180 Ca -0.11 1.58 0.00 0.00 -1.95 0.00 0.00 55.36 54.88 3f6i s GLN 180 Cb -0.16 -3.38 0.00 0.00 -0.22 0.00 0.00 33.01 29.25 3f6i s GLN 180 CO 0.02 -0.03 0.00 1.33 -0.25 0.00 0.00 175.29 176.36 3f6i n VAL 181 N 3.39 0.00 -0.07 1.09 0.24 -1.26 -4.93 118.33 116.79 3f6i n VAL 181 Ca 0.05 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.29 3f6i n VAL 181 Cb 0.48 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.83 3f6i n VAL 181 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3f6i n LYS 182 N 0.00 0.42 0.00 7.34 4.01 -1.26 -5.00 118.16 123.67 3f6i n LYS 182 Ca 0.00 0.26 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 3f6i n LYS 182 Cb 0.00 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 3f6i n LYS 182 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 3f6i n VAL 185 N -4.14 0.00 0.00 -0.18 0.24 -1.26 -5.16 118.33 107.83 3f6i n VAL 185 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 3f6i n VAL 185 Cb 0.37 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 3f6i n VAL 185 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 3f6i n VAL 186 N 0.00 0.00 -4.41 3.34 3.14 -1.26 -4.85 118.33 114.30 3f6i n VAL 186 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 3f6i n VAL 186 Cb 0.00 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 3f6i n VAL 186 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3f6i s LYS 187 N 0.00 1.62 -0.11 1.45 3.01 -1.26 -1.80 119.74 122.65 3f6i s LYS 187 Ca 0.00 -1.92 -0.27 0.00 -1.01 0.00 0.00 55.97 52.77 3f6i s LYS 187 Cb 0.00 -0.52 0.06 0.00 -1.01 0.00 0.00 37.83 36.36 3f6i s LYS 187 CO 0.00 -0.31 0.64 0.08 0.51 0.00 0.00 175.35 176.27 3f6i s VAL 188 N -3.47 0.01 -0.24 3.17 1.01 0.56 -4.86 120.40 116.58 3f6i s VAL 188 Ca 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.29 3f6i s VAL 188 Cb 0.07 -0.95 0.06 0.00 0.00 0.00 0.00 36.38 35.57 3f6i s VAL 188 CO 0.15 -0.02 -0.04 1.51 0.00 0.00 0.00 175.10 176.69 3f6i s ASP 189 N -0.72 3.88 0.21 3.32 -4.77 -1.25 0.14 116.67 117.49 3f6i s ASP 189 Ca -0.08 -1.23 0.05 0.00 -3.30 0.00 0.00 52.55 48.00 3f6i s ASP 189 Cb -0.02 -1.18 -0.03 0.00 -1.09 0.00 0.00 42.92 40.60 3f6i s ASP 189 CO 0.07 -0.25 0.27 -0.55 0.70 0.00 0.00 175.17 175.41 3f6i s SER 190 N 1.39 5.98 -0.39 2.11 0.15 0.05 -2.85 113.70 120.14 3f6i s SER 190 Ca -0.05 -0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.29 3f6i s SER 190 Cb -0.19 -1.68 0.02 0.00 -1.71 0.00 0.00 66.02 62.46 3f6i s SER 190 CO -0.07 -0.02 1.09 -1.48 1.20 0.00 0.00 173.24 173.96 3f6i s LEU 191 N -3.67 3.82 1.19 3.45 -0.00 -0.63 -1.86 118.68 120.98 3f6i s LEU 191 Ca 0.33 0.77 -0.20 0.00 -0.00 0.00 0.00 54.13 55.04 3f6i s LEU 191 Cb -0.09 -3.52 0.29 0.00 -0.00 0.00 0.00 46.19 42.87 3f6i s LEU 191 CO 0.27 -1.03 1.15 0.54 -0.00 0.00 0.00 176.35 177.28 3f6i s ASN 192 N 2.00 1.01 0.60 1.48 2.20 -0.00 -4.58 114.94 117.65 3f6i s ASN 192 Ca 0.46 0.48 0.29 0.00 -0.94 0.00 0.00 52.86 53.15 3f6i s ASN 192 Cb -0.10 -0.62 1.53 0.00 -2.00 0.00 0.00 41.25 40.06 3f6i s ASN 192 CO 0.22 -4.05 1.93 0.44 -2.94 0.00 0.00 177.10 172.70 3f6i h ASP 193 N -2.54 0.00 -0.02 3.54 5.19 -1.96 -1.82 116.42 118.82 3f6i h ASP 193 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 3f6i h ASP 193 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 3f6i h ASP 193 CO 0.31 0.00 -0.39 -1.22 -3.12 0.00 0.00 179.24 174.81 3f6i n TYR 194 N -3.61 0.00 0.00 4.55 4.02 -1.26 -4.81 117.16 116.05 3f6i n TYR 194 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 3f6i n TYR 194 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 3f6i n TYR 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f6i n GLY 195 N 1.35 0.58 3.89 2.72 0.00 -0.68 -4.71 105.19 108.33 3f6i n GLY 195 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3f6i n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f6i s GLU 196 N -0.63 3.64 -0.54 1.61 0.41 -1.26 -4.77 118.70 117.16 3f6i s GLU 196 Ca 0.00 -0.03 -0.21 0.00 -0.41 0.00 0.00 54.97 54.32 3f6i s GLU 196 Cb 0.00 -2.87 0.06 0.00 -1.78 0.00 0.00 34.13 29.53 3f6i s GLU 196 CO 0.00 0.48 0.76 -0.48 -0.49 0.00 0.00 175.26 175.53 3f6i s LEU 197 N -2.50 4.70 0.21 1.80 2.34 -1.26 -0.82 118.68 123.15 3f6i s LEU 197 Ca 0.39 -0.81 0.07 0.00 0.06 0.00 0.00 54.13 53.84 3f6i s LEU 197 Cb -0.12 -2.54 -0.04 0.00 -0.56 0.00 0.00 46.19 42.93 3f6i s LEU 197 CO 0.23 -1.07 0.14 -1.10 -1.06 0.00 0.00 176.35 173.49 3f6i s GLN 198 N 3.16 2.81 0.19 1.48 -0.21 -0.78 -4.93 119.66 121.38 3f6i s GLN 198 Ca 0.20 -1.03 0.07 0.00 0.02 0.00 0.00 55.36 54.62 3f6i s GLN 198 Cb -0.17 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.26 3f6i s GLN 198 CO 0.13 0.43 0.07 0.99 -2.12 0.00 0.00 175.29 174.80 3f6i s THR 199 N -1.97 4.04 0.08 -0.19 2.01 -1.26 -0.77 115.64 117.57 3f6i s THR 199 Ca 0.31 -1.37 -0.19 0.00 0.31 0.00 0.00 61.69 60.75 3f6i s THR 199 Cb -0.09 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.39 3f6i s THR 199 CO 0.23 -0.18 0.45 0.26 -0.69 0.00 0.00 174.62 174.70 3f6i s TRP 200 N -1.87 -0.31 0.43 4.92 0.52 0.38 -4.93 118.94 118.07 3f6i s TRP 200 Ca 0.30 0.19 -0.00 0.00 0.02 0.00 0.00 56.10 56.60 3f6i s TRP 200 Cb -0.09 0.29 -0.01 0.00 -1.15 0.00 0.00 33.47 32.51 3f6i s TRP 200 CO 0.21 -0.66 0.66 0.99 0.02 0.00 0.00 176.95 178.17 3f6i s THR 201 N -3.01 4.33 -0.05 2.01 2.01 -1.26 -0.32 115.64 119.34 3f6i s THR 201 Ca -0.02 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.56 3f6i s THR 201 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.91 3f6i s THR 201 CO -0.06 -0.43 0.51 -0.38 -0.69 0.00 0.00 174.62 173.57