#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7u s TYR 7 N -4.07 3.48 0.27 0.00 2.02 -1.26 -3.69 117.35 114.09 3f7u s TYR 7 Ca 0.29 1.17 -0.06 0.00 -0.37 0.00 0.00 57.07 58.10 3f7u s TYR 7 Cb 0.02 -2.56 0.49 0.00 -0.40 0.00 0.00 41.96 39.51 3f7u s TYR 7 CO 0.10 -0.23 1.59 0.93 -1.57 0.00 0.00 175.55 176.38 3f7u h GLU 8 N 1.01 0.03 -0.07 -0.62 5.08 -1.88 0.13 114.58 118.25 3f7u h GLU 8 Ca -0.47 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 3f7u h GLU 8 Cb 1.19 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3f7u h GLU 8 CO 0.63 0.02 -0.09 -0.24 -1.00 0.00 0.00 179.01 178.33 3f7u h VAL 9 N 0.03 1.11 -0.17 3.13 3.04 -1.91 -1.66 116.25 119.82 3f7u h VAL 9 Ca 0.46 -0.48 -0.20 0.00 -1.01 0.00 0.00 66.70 65.47 3f7u h VAL 9 Cb 0.81 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 3f7u h VAL 9 CO -0.84 0.15 -0.70 1.56 -1.01 0.00 0.00 177.57 176.72 3f7u h GLN 10 N 0.11 0.71 -0.06 4.17 4.20 -1.10 -2.75 115.11 120.39 3f7u h GLN 10 Ca 0.02 -0.54 -0.13 0.00 0.06 0.00 0.00 58.65 58.06 3f7u h GLN 10 Cb 0.23 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3f7u h GLN 10 CO 0.01 1.16 -0.56 0.00 -0.67 0.00 0.00 178.83 178.78 3f7u h ALA 11 N 0.70 0.95 0.00 3.87 0.00 -1.36 -1.57 119.26 121.84 3f7u h ALA 11 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3f7u h ALA 11 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3f7u h ALA 11 CO 0.14 0.70 0.00 0.39 0.00 0.00 0.00 179.25 180.48 3f7u n GLU 11 N -3.90 0.18 0.00 0.00 1.02 -0.67 -5.03 120.64 112.24 3f7u n GLU 11 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3f7u n GLU 11 Cb 0.58 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 3f7u n GLU 11 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3f7u n SER 11 N -0.28 0.00 0.00 1.62 7.64 -0.60 -5.06 113.62 116.94 3f7u n SER 11 Ca 0.00 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.88 3f7u n SER 11 Cb 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3f7u n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f7u s LEU 11 N 0.00 5.67 0.97 0.00 2.96 -1.26 -4.87 118.68 122.15 3f7u s LEU 11 Ca 0.00 -1.47 -0.12 0.00 -0.22 0.00 0.00 54.13 52.33 3f7u s LEU 11 Cb 0.00 -2.15 0.17 0.00 0.50 0.00 0.00 46.19 44.71 3f7u s LEU 11 CO 0.00 -0.67 1.09 0.68 -1.32 0.00 0.00 176.35 176.12 3f7u s VAL 12 N 1.59 2.38 0.36 1.68 -7.23 -1.26 -1.35 120.40 116.58 3f7u s VAL 12 Ca 0.04 0.12 0.04 0.00 -1.81 0.00 0.00 61.98 60.37 3f7u s VAL 12 Cb -0.25 -2.46 0.27 0.00 0.56 0.00 0.00 36.38 34.50 3f7u s VAL 12 CO 0.05 -0.16 2.00 -0.65 -0.31 0.00 0.00 175.10 176.03 3f7u h PRO 13 N -1.86 0.76 -0.09 4.82 0.11 -1.91 0.12 132.00 133.95 3f7u h PRO 13 Ca -0.52 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.57 3f7u h PRO 13 Cb 1.30 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3f7u h PRO 13 CO 0.52 0.50 0.20 -0.39 -0.21 0.00 0.00 178.00 178.62 3f7u h VAL 14 N 0.78 0.20 -0.25 3.15 -1.51 -1.94 -2.61 116.25 114.07 3f7u h VAL 14 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.71 3f7u h VAL 14 Cb 0.01 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 3f7u h VAL 14 CO -0.06 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.57 3f7u n LYS 15 N -3.33 2.55 -1.64 5.19 5.02 0.39 -5.03 118.16 121.32 3f7u n LYS 15 Ca -0.01 -1.83 -0.46 0.00 -2.02 0.00 0.00 58.31 54.00 3f7u n LYS 15 Cb 0.29 -1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 3f7u n LYS 15 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3f7u n TRP 16 N 0.35 1.81 0.00 2.13 8.01 -0.98 -4.89 117.44 123.87 3f7u n TRP 16 Ca 0.09 0.55 0.00 0.00 -1.31 0.00 0.00 57.50 56.83 3f7u n TRP 16 Cb 0.37 -2.38 0.00 0.00 -2.01 0.00 0.00 31.31 27.30 3f7u n TRP 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3f7u n GLY 20 N 1.84 1.28 7.00 6.99 0.00 -1.26 -4.52 105.19 116.53 3f7u n GLY 20 Ca 0.12 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3f7u n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7u n GLY 21 N 5.00 2.71 0.39 -0.02 0.00 -1.26 -1.47 105.19 110.54 3f7u n GLY 21 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.69 3f7u n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f7u n ASN 22 N 0.42 1.15 0.01 1.61 3.02 -0.54 -4.36 115.26 116.56 3f7u n ASN 22 Ca 0.00 -1.96 0.09 0.00 -0.03 0.00 0.00 54.58 52.68 3f7u n ASN 22 Cb 0.00 -0.14 0.38 0.00 -0.61 0.00 0.00 39.78 39.41 3f7u n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f7u n GLN 24 N -1.56 3.46 -0.16 0.00 1.13 -1.26 -4.98 117.38 114.01 3f7u n GLN 24 Ca 0.04 -2.74 0.00 0.00 -1.94 0.00 0.00 57.00 52.36 3f7u n GLN 24 Cb 0.21 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.78 3f7u n GLN 24 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3f7u n LYS 25 N 0.76 0.93 -0.01 -1.09 5.02 -0.94 -5.06 118.16 117.77 3f7u n LYS 25 Ca 0.23 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.63 3f7u n LYS 25 Cb 0.81 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.66 3f7u n LYS 25 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3f7u n ASP 26 N -1.57 0.04 -2.79 4.39 9.92 -1.26 -4.56 116.55 120.72 3f7u n ASP 26 Ca 0.00 -0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 3f7u n ASP 26 Cb 0.00 1.94 -0.02 0.00 -0.64 0.00 0.00 41.12 42.40 3f7u n ASP 26 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3f7u n ARG 27 N -2.26 2.73 -2.72 -1.24 1.74 -1.26 -4.77 116.66 108.87 3f7u n ARG 27 Ca -0.04 -4.34 -0.23 0.00 -0.77 0.00 0.00 57.85 52.47 3f7u n ARG 27 Cb 0.57 -2.05 0.03 0.00 -1.02 0.00 0.00 32.46 29.99 3f7u n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3f7u s GLN 28 N -3.31 2.83 0.09 5.56 -1.52 -1.26 -3.35 119.66 118.69 3f7u s GLN 28 Ca 0.45 -0.47 0.04 0.00 -1.95 0.00 0.00 55.36 53.43 3f7u s GLN 28 Cb 0.35 -2.46 -0.03 0.00 -0.22 0.00 0.00 33.01 30.65 3f7u s GLN 28 CO -0.13 -0.54 -0.11 -1.12 -0.25 0.00 0.00 175.29 173.14 3f7u s SER 29 N -4.31 1.51 0.71 5.90 0.01 -1.26 -4.57 113.70 111.68 3f7u s SER 29 Ca 0.53 -0.75 -0.03 0.00 1.31 0.00 0.00 55.95 57.01 3f7u s SER 29 Cb -0.10 -0.01 0.10 0.00 0.21 0.00 0.00 66.02 66.22 3f7u s SER 29 CO 0.40 -0.21 0.99 -2.16 0.41 0.00 0.00 173.24 172.67 3f7u s PRO 30 N -2.46 1.84 0.20 12.44 0.04 -1.26 -4.52 135.00 141.28 3f7u s PRO 30 Ca 0.03 -0.80 -0.00 0.00 0.04 0.00 0.00 61.00 60.27 3f7u s PRO 30 Cb -0.05 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 3f7u s PRO 30 CO 0.01 -1.36 0.09 0.96 0.04 0.00 0.00 177.00 176.74 3f7u s ILE 31 N -3.17 0.27 0.08 0.56 -4.36 -1.26 -0.27 121.20 113.05 3f7u s ILE 31 Ca 0.64 -1.98 -0.25 0.00 -0.26 0.00 0.00 60.65 58.81 3f7u s ILE 31 Cb -0.07 -2.39 -0.06 0.00 1.25 0.00 0.00 42.46 41.18 3f7u s ILE 31 CO 0.44 -0.16 0.75 0.21 0.24 0.00 0.00 174.94 176.42 3f7u s ASN 32 N -3.18 7.25 -0.34 4.36 2.47 -1.26 -2.93 114.94 121.30 3f7u s ASN 32 Ca 0.34 1.48 -0.06 0.00 0.42 0.00 0.00 52.86 55.04 3f7u s ASN 32 Cb 0.07 -2.47 0.05 0.00 -1.45 0.00 0.00 41.25 37.45 3f7u s ASN 32 CO 0.09 0.08 0.11 -0.63 -3.72 0.00 0.00 177.10 173.03 3f7u s ILE 33 N -0.40 3.72 -0.58 -5.21 1.01 0.21 -4.96 121.20 114.99 3f7u s ILE 33 Ca 0.37 -1.20 -0.28 0.00 0.00 0.00 0.00 60.65 59.54 3f7u s ILE 33 Cb -0.21 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.13 3f7u s ILE 33 CO 0.23 -0.21 1.48 -0.69 0.00 0.00 0.00 174.94 175.75 3f7u s VAL 34 N 1.38 3.71 0.30 2.92 1.01 -1.26 -0.03 120.40 128.43 3f7u s VAL 34 Ca -0.01 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.62 3f7u s VAL 34 Cb -0.20 -4.39 0.03 0.00 0.00 0.00 0.00 36.38 31.82 3f7u s VAL 34 CO 0.02 -1.18 1.70 0.71 0.00 0.00 0.00 175.10 176.35 3f7u h THR 35 N 6.42 1.33 0.00 3.92 1.35 -1.96 -2.13 112.91 121.84 3f7u h THR 35 Ca -0.27 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 3f7u h THR 35 Cb 1.10 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3f7u h THR 35 CO 1.19 0.47 0.00 0.71 -0.25 0.00 0.00 175.52 177.64 3f7u h THR 36 N 0.14 0.00 0.00 6.82 1.35 -2.02 -2.91 112.91 116.28 3f7u h THR 36 Ca 0.01 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3f7u h THR 36 Cb 0.85 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3f7u h THR 36 CO 0.07 0.00 -0.60 0.29 -0.25 0.00 0.00 175.52 175.02 3f7u n LYS 37 N -2.91 0.04 -2.30 4.72 5.02 -0.82 -4.82 118.16 117.08 3f7u n LYS 37 Ca 0.04 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 3f7u n LYS 37 Cb 0.49 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 3f7u n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f7u s ALA 38 N -3.02 3.58 0.15 7.82 0.00 -1.10 -4.91 121.76 124.28 3f7u s ALA 38 Ca 0.10 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 3f7u s ALA 38 Cb 0.17 -3.69 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 3f7u s ALA 38 CO 0.73 -1.36 1.03 0.15 0.00 0.00 0.00 175.76 176.30 3f7u s LYS 39 N 3.80 4.66 0.33 0.00 1.02 -1.18 -4.66 119.74 123.71 3f7u s LYS 39 Ca 0.60 1.58 -0.29 0.00 0.02 0.00 0.00 55.97 57.89 3f7u s LYS 39 Cb -0.24 -3.32 -0.11 0.00 -0.52 0.00 0.00 37.83 33.64 3f7u s LYS 39 CO 0.20 0.17 1.52 0.08 -0.92 0.00 0.00 175.35 176.41 3f7u s VAL 40 N -0.22 2.13 -0.15 3.17 1.01 -1.26 -2.15 120.40 122.93 3f7u s VAL 40 Ca 0.48 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 3f7u s VAL 40 Cb -0.26 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.08 3f7u s VAL 40 CO 0.32 0.02 -0.03 -0.62 0.00 0.00 0.00 175.10 174.80 3f7u s ASP 41 N 0.16 2.54 0.49 3.32 -1.08 0.26 -4.86 116.67 117.50 3f7u s ASP 41 Ca 0.58 -0.55 0.32 0.00 -0.52 0.00 0.00 52.55 52.39 3f7u s ASP 41 Cb -0.46 -0.76 1.44 0.00 -1.46 0.00 0.00 42.92 41.67 3f7u s ASP 41 CO 0.54 -0.20 1.96 0.11 0.52 0.00 0.00 175.17 178.11 3f7u h LYS 42 N 8.19 0.00 0.00 4.34 1.57 -1.94 -1.20 116.57 127.52 3f7u h LYS 42 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3f7u h LYS 42 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3f7u h LYS 42 CO 0.36 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.87 3f7u n LYS 43 N -2.84 0.50 -2.89 3.15 5.02 -1.26 -4.38 118.16 115.47 3f7u n LYS 43 Ca 0.00 0.01 -0.44 0.00 -2.02 0.00 0.00 58.31 55.87 3f7u n LYS 43 Cb 0.23 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3f7u n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f7u s LEU 44 N -2.46 4.88 0.00 -0.35 1.43 -0.45 -3.86 118.68 117.87 3f7u s LEU 44 Ca 0.30 -2.37 0.02 0.00 -1.03 0.00 0.00 54.13 51.05 3f7u s LEU 44 Cb 0.19 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 44.06 3f7u s LEU 44 CO 0.42 -0.98 0.49 0.61 0.23 0.00 0.00 176.35 177.11 3f7u n GLY 45 N 5.08 1.22 3.71 -3.19 0.00 -1.26 -4.69 105.19 106.06 3f7u n GLY 45 Ca 0.31 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3f7u n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3f7u s ARG 46 N -3.65 1.43 0.39 1.61 1.70 -1.26 -3.10 118.95 116.07 3f7u s ARG 46 Ca 0.34 1.40 -0.15 0.00 -0.47 0.00 0.00 55.73 56.85 3f7u s ARG 46 Cb -0.02 -1.79 -0.09 0.00 -0.57 0.00 0.00 34.95 32.49 3f7u s ARG 46 CO 0.22 -2.30 0.82 -0.06 -1.08 0.00 0.00 175.30 172.91 3f7u s PHE 47 N -2.74 3.39 -0.27 5.89 0.40 -1.26 -1.12 117.98 122.27 3f7u s PHE 47 Ca 0.65 1.29 -0.06 0.00 -0.60 0.00 0.00 56.93 58.21 3f7u s PHE 47 Cb -0.21 -2.61 0.00 0.00 0.51 0.00 0.00 43.02 40.71 3f7u s PHE 47 CO 0.57 -0.06 0.05 -0.06 0.70 0.00 0.00 175.22 176.43 3f7u s PHE 48 N -2.20 3.10 0.09 0.36 0.08 -0.54 -4.89 117.98 113.98 3f7u s PHE 48 Ca 0.56 -0.90 -0.09 0.00 0.12 0.00 0.00 56.93 56.62 3f7u s PHE 48 Cb -0.10 -2.22 -0.06 0.00 -0.57 0.00 0.00 43.02 40.08 3f7u s PHE 48 CO 0.21 -0.54 0.40 -0.06 -0.10 0.00 0.00 175.22 175.13 3f7u s PHE 49 N 1.51 3.56 -0.05 0.36 0.08 -1.26 -1.84 117.98 120.34 3f7u s PHE 49 Ca 0.04 0.76 0.00 0.00 0.12 0.00 0.00 56.93 57.85 3f7u s PHE 49 Cb -0.16 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.17 3f7u s PHE 49 CO 0.01 0.50 -0.03 0.45 -0.10 0.00 0.00 175.22 176.06 3f7u s SER 50 N -1.86 1.07 0.00 1.36 0.15 -0.09 -4.73 113.70 109.61 3f7u s SER 50 Ca 0.34 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.88 3f7u s SER 50 Cb -0.14 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 3f7u s SER 50 CO 0.19 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.15 3f7u n GLY 50 N 4.32 0.85 0.15 9.45 0.00 -1.26 -1.46 105.19 117.23 3f7u n GLY 50 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3f7u n GLY 50 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3f7u h TYR 51 N 0.00 0.00 0.02 1.61 -1.99 -1.85 -3.34 116.97 111.42 3f7u h TYR 51 Ca 0.00 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.65 3f7u h TYR 51 Cb 0.01 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.75 3f7u h TYR 51 CO 0.01 0.00 -0.34 0.38 -0.00 0.00 0.00 178.16 178.21 3f7u h ASP 52 N 0.00 0.26 -3.48 3.88 3.04 -1.92 -0.04 116.42 118.16 3f7u h ASP 52 Ca 0.00 -0.84 -0.52 0.00 -3.24 0.00 0.00 57.03 52.42 3f7u h ASP 52 Cb 0.82 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 39.02 3f7u h ASP 52 CO 0.00 1.07 0.42 -0.75 -2.04 0.00 0.00 179.24 177.94 3f7u s LYS 53 N -2.87 4.60 0.16 4.15 2.20 -1.25 -4.84 119.74 121.89 3f7u s LYS 53 Ca -0.16 1.55 -0.30 0.00 -0.36 0.00 0.00 55.97 56.70 3f7u s LYS 53 Cb 0.00 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.88 3f7u s LYS 53 CO 0.76 0.05 1.26 0.15 -0.36 0.00 0.00 175.35 177.21 3f7u s LYS 54 N 0.30 4.43 0.06 4.03 -0.14 -1.26 -4.44 119.74 122.71 3f7u s LYS 54 Ca 0.50 1.94 0.00 0.00 -1.36 0.00 0.00 55.97 57.05 3f7u s LYS 54 Cb -0.25 -3.25 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 3f7u s LYS 54 CO 0.30 -0.22 -0.04 -0.65 -0.76 0.00 0.00 175.35 173.98 3f7u s GLN 55 N 0.23 0.62 -0.71 1.68 -1.52 -0.10 -4.83 119.66 115.03 3f7u s GLN 55 Ca 0.57 -1.12 -0.13 0.00 -1.95 0.00 0.00 55.36 52.73 3f7u s GLN 55 Cb -0.34 0.03 0.18 0.00 -0.22 0.00 0.00 33.01 32.67 3f7u s GLN 55 CO 0.35 -0.06 0.63 0.95 -0.25 0.00 0.00 175.29 176.91 3f7u s THR 56 N -3.24 5.17 0.57 -0.19 -4.23 -1.26 -1.59 115.64 110.86 3f7u s THR 56 Ca 0.03 -2.26 -0.17 0.00 -1.18 0.00 0.00 61.69 58.11 3f7u s THR 56 Cb 0.03 -4.25 -0.05 0.00 1.34 0.00 0.00 72.50 69.57 3f7u s THR 56 CO -0.06 -0.95 1.06 0.26 -0.54 0.00 0.00 174.62 174.39 3f7u s TRP 57 N 0.55 2.94 -0.06 3.99 0.52 -1.26 -4.61 118.94 121.01 3f7u s TRP 57 Ca 0.13 1.53 -0.25 0.00 0.02 0.00 0.00 56.10 57.53 3f7u s TRP 57 Cb -0.17 -3.06 -0.03 0.00 -1.15 0.00 0.00 33.47 29.06 3f7u s TRP 57 CO -0.05 -1.13 0.79 0.99 0.02 0.00 0.00 176.95 177.58 3f7u s THR 58 N -2.28 4.98 -0.02 2.01 2.01 -1.26 0.15 115.64 121.23 3f7u s THR 58 Ca 0.65 1.64 0.06 0.00 0.31 0.00 0.00 61.69 64.35 3f7u s THR 58 Cb -0.17 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 3f7u s THR 58 CO 0.32 0.21 -0.20 0.54 -0.69 0.00 0.00 174.62 174.80 3f7u s VAL 59 N 0.97 1.60 0.05 3.82 0.11 -0.53 -1.04 120.40 125.38 3f7u s VAL 59 Ca 0.42 -0.85 -0.00 0.00 -2.93 0.00 0.00 61.98 58.61 3f7u s VAL 59 Cb -0.19 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 3f7u s VAL 59 CO 0.20 0.45 -0.04 0.00 -3.33 0.00 0.00 175.10 172.39 3f7u s GLN 60 N -0.39 0.57 -0.32 1.54 -2.07 -0.63 -0.86 119.66 117.50 3f7u s GLN 60 Ca 0.06 -1.08 -0.11 0.00 -1.82 0.00 0.00 55.36 52.41 3f7u s GLN 60 Cb -0.09 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 31.93 3f7u s GLN 60 CO -0.00 -0.08 0.18 1.21 -1.32 0.00 0.00 175.29 175.28 3f7u s ASN 61 N -2.55 5.73 -0.02 12.60 3.84 -0.88 -0.99 114.94 132.67 3f7u s ASN 61 Ca 0.02 -0.47 0.21 0.00 0.21 0.00 0.00 52.86 52.83 3f7u s ASN 61 Cb 0.03 -2.05 0.64 0.00 -0.55 0.00 0.00 41.25 39.32 3f7u s ASN 61 CO -0.07 -0.20 1.54 -0.46 -2.79 0.00 0.00 177.10 175.12 3f7u n ASN 62 N 5.02 4.05 0.00 -4.21 0.23 -1.06 0.19 115.26 119.48 3f7u n ASN 62 Ca -0.13 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 51.84 3f7u n ASN 62 Cb 0.49 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3f7u n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3f7u n GLY 63 N 1.50 1.16 0.00 4.83 0.00 -1.26 -4.77 105.19 106.65 3f7u n GLY 63 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3f7u n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3f7u n HIS 64 N -2.00 0.00 -3.46 1.61 8.25 -1.26 -4.75 115.22 113.61 3f7u n HIS 64 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 3f7u n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 3f7u n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3f7u n SER 65 N -0.70 -1.08 -4.48 0.41 2.88 -1.26 -4.88 113.62 104.52 3f7u n SER 65 Ca 0.00 -1.71 -0.33 0.00 -1.33 0.00 0.00 58.87 55.50 3f7u n SER 65 Cb 0.00 1.79 -0.13 0.00 -0.75 0.00 0.00 64.21 65.12 3f7u n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3f7u s VAL 66 N -2.50 3.13 -0.06 2.46 0.11 -1.26 -2.55 120.40 119.74 3f7u s VAL 66 Ca 0.09 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.43 3f7u s VAL 66 Cb -0.02 -2.24 0.03 0.00 -1.53 0.00 0.00 36.38 32.62 3f7u s VAL 66 CO 0.05 0.59 0.02 -0.32 -3.33 0.00 0.00 175.10 172.11 3f7u s MET 67 N -0.65 0.32 0.09 1.54 0.00 -0.17 -3.52 119.30 116.92 3f7u s MET 67 Ca 0.10 0.21 -0.23 0.00 0.00 0.00 0.00 55.69 55.76 3f7u s MET 67 Cb -0.11 -0.75 -0.07 0.00 0.00 0.00 0.00 34.83 33.90 3f7u s MET 67 CO 0.01 -0.30 0.70 -1.64 0.00 0.00 0.00 175.02 173.79 3f7u s MET 68 N 1.96 4.43 -0.36 4.11 -1.94 0.71 -1.60 119.30 126.61 3f7u s MET 68 Ca 0.04 0.98 -0.24 0.00 -1.71 0.00 0.00 55.69 54.76 3f7u s MET 68 Cb -0.12 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.44 3f7u s MET 68 CO -0.04 0.49 0.82 -0.51 -0.01 0.00 0.00 175.02 175.77 3f7u s LEU 69 N -0.75 4.10 0.05 -0.03 1.43 -0.20 -1.46 118.68 121.82 3f7u s LEU 69 Ca 0.34 0.41 0.22 0.00 -1.03 0.00 0.00 54.13 54.08 3f7u s LEU 69 Cb -0.21 -3.09 -0.17 0.00 0.03 0.00 0.00 46.19 42.75 3f7u s LEU 69 CO 0.23 -0.76 0.76 0.18 0.23 0.00 0.00 176.35 176.98 3f7u n LEU 70 N 6.51 0.40 -3.74 1.79 4.77 0.44 -4.55 117.00 122.63 3f7u n LEU 70 Ca 0.04 0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.78 3f7u n LEU 70 Cb 0.48 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 3f7u n LEU 70 CO 0.55 -0.02 0.06 -0.62 -1.33 0.00 0.00 177.39 176.03 3f7u n GLU 71 N -2.25 -4.91 -1.27 3.23 1.02 -1.12 -0.81 120.64 114.53 3f7u n GLU 71 Ca -0.01 0.59 -0.10 0.00 -0.02 0.00 0.00 57.16 57.62 3f7u n GLU 71 Cb 0.52 -5.43 -0.04 0.00 -0.02 0.00 0.00 31.44 26.47 3f7u n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3f7u n ASN 72 N -2.68 -2.65 0.00 1.62 3.02 -0.42 -4.83 115.26 109.31 3f7u n ASN 72 Ca 0.02 0.24 0.07 0.00 -0.03 0.00 0.00 54.58 54.88 3f7u n ASN 72 Cb 0.53 -2.58 0.38 0.00 -0.61 0.00 0.00 39.78 37.51 3f7u n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3f7u n LYS 76 N -1.61 0.38 -3.78 3.52 5.02 0.01 -4.88 118.16 116.82 3f7u n LYS 76 Ca -0.10 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.12 3f7u n LYS 76 Cb 0.33 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3f7u n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f7u s ALA 77 N -2.08 -0.48 0.22 7.82 0.00 -1.26 -4.50 121.76 121.47 3f7u s ALA 77 Ca 0.19 -0.41 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 3f7u s ALA 77 Cb 0.09 0.58 0.04 0.00 0.00 0.00 0.00 23.12 23.84 3f7u s ALA 77 CO 0.16 -0.57 0.65 -1.54 0.00 0.00 0.00 175.76 174.46 3f7u s SER 78 N -2.84 -0.40 0.14 0.00 1.04 -0.54 -0.96 113.70 110.14 3f7u s SER 78 Ca 0.05 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.18 3f7u s SER 78 Cb 0.04 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 3f7u s SER 78 CO -0.11 -1.16 -0.05 0.27 0.98 0.00 0.00 173.24 173.18 3f7u s ILE 79 N -3.84 0.83 0.15 -1.02 -4.36 -0.48 -0.91 121.20 111.57 3f7u s ILE 79 Ca 0.06 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.44 3f7u s ILE 79 Cb -0.03 -1.91 0.01 0.00 1.25 0.00 0.00 42.46 41.78 3f7u s ILE 79 CO -0.03 -0.68 0.25 -1.54 0.24 0.00 0.00 174.94 173.19 3f7u n SER 80 N -0.17 -0.72 -0.02 4.36 3.41 -0.77 -0.82 113.62 118.89 3f7u n SER 80 Ca -0.09 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 3f7u n SER 80 Cb 0.62 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 3f7u n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f7u n GLY 81 N -0.24 -0.59 2.20 5.00 0.00 -1.26 -1.46 105.19 108.84 3f7u n GLY 81 Ca -0.01 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 3f7u n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7u n GLY 82 N 0.00 0.11 2.54 -0.02 0.00 -0.28 -1.47 105.19 106.08 3f7u n GLY 82 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 3f7u n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f7u n GLY 83 N -1.11 1.22 3.86 -0.02 0.00 -1.25 -4.78 105.19 103.11 3f7u n GLY 83 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3f7u n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f7u s LEU 84 N -3.10 3.49 0.22 0.99 1.43 -0.54 -4.97 118.68 116.20 3f7u s LEU 84 Ca 0.00 1.43 0.25 0.00 -1.03 0.00 0.00 54.13 54.79 3f7u s LEU 84 Cb 0.00 -4.41 0.68 0.00 0.03 0.00 0.00 46.19 42.49 3f7u s LEU 84 CO 0.00 -0.68 1.68 1.55 0.23 0.00 0.00 176.35 179.13 3f7u h PRO 85 N 0.43 0.00 -3.18 1.29 0.13 -1.93 -3.44 132.00 125.30 3f7u h PRO 85 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 3f7u h PRO 85 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 3f7u h PRO 85 CO 0.62 0.00 0.14 0.00 -0.23 0.00 0.00 178.00 178.53 3f7u s ALA 86 N -3.13 -0.91 0.50 -0.56 0.00 -1.26 -5.11 121.76 111.30 3f7u s ALA 86 Ca 0.09 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.35 3f7u s ALA 86 Cb 0.12 0.90 -0.07 0.00 0.00 0.00 0.00 23.12 24.06 3f7u s ALA 86 CO 0.63 -0.99 1.09 -2.14 0.00 0.00 0.00 175.76 174.35 3f7u s PRO 87 N -3.81 3.63 -0.04 0.00 0.02 -1.26 -4.77 135.00 128.78 3f7u s PRO 87 Ca 0.14 1.52 0.06 0.00 0.02 0.00 0.00 61.00 62.74 3f7u s PRO 87 Cb -0.05 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 3f7u s PRO 87 CO 0.08 -0.60 -0.21 0.71 -0.33 0.00 0.00 177.00 176.65 3f7u s TYR 88 N -1.82 2.02 -0.08 6.54 1.51 -0.00 -1.42 117.35 124.09 3f7u s TYR 88 Ca 0.69 -0.51 -0.13 0.00 -1.01 0.00 0.00 57.07 56.11 3f7u s TYR 88 Cb -0.21 -1.33 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 3f7u s TYR 88 CO 0.25 -0.13 0.32 -0.65 -1.11 0.00 0.00 175.55 174.23 3f7u s GLN 89 N -0.24 3.93 0.12 -0.62 -0.21 0.68 -1.39 119.66 121.93 3f7u s GLN 89 Ca 0.01 0.20 -0.31 0.00 0.02 0.00 0.00 55.36 55.28 3f7u s GLN 89 Cb -0.11 -3.29 -0.07 0.00 1.00 0.00 0.00 33.01 30.54 3f7u s GLN 89 CO 0.01 0.55 1.26 0.00 -2.12 0.00 0.00 175.29 174.99 3f7u s ALA 90 N -0.52 3.47 -0.18 6.09 0.00 -0.13 -0.45 121.76 130.03 3f7u s ALA 90 Ca 0.20 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 53.04 3f7u s ALA 90 Cb -0.14 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 3f7u s ALA 90 CO 0.08 -0.47 -0.23 1.63 0.00 0.00 0.00 175.76 176.77 3f7u n LYS 91 N 3.46 0.39 -3.47 0.00 4.76 0.17 -1.31 118.16 122.16 3f7u n LYS 91 Ca 0.08 0.16 -0.11 0.00 -2.87 0.00 0.00 58.31 55.57 3f7u n LYS 91 Cb 0.45 -1.17 -0.02 0.00 -1.84 0.00 0.00 35.03 32.45 3f7u n LYS 91 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3f7u s GLN 92 N -2.34 1.33 -0.03 1.97 1.03 -1.20 -0.42 119.66 120.01 3f7u s GLN 92 Ca -0.25 -0.53 0.03 0.00 0.04 0.00 0.00 55.36 54.65 3f7u s GLN 92 Cb 0.09 0.59 -0.00 0.00 0.03 0.00 0.00 33.01 33.72 3f7u s GLN 92 CO 0.33 -0.59 -0.12 -1.17 -2.54 0.00 0.00 175.29 171.21 3f7u s LEU 93 N -2.76 1.87 0.36 2.60 0.20 -0.53 -1.05 118.68 119.36 3f7u s LEU 93 Ca 0.02 -0.23 -0.03 0.00 0.69 0.00 0.00 54.13 54.58 3f7u s LEU 93 Cb -0.02 -0.67 0.01 0.00 -0.43 0.00 0.00 46.19 45.09 3f7u s LEU 93 CO -0.11 0.10 0.51 -1.38 -0.29 0.00 0.00 176.35 175.19 3f7u s HIS 94 N 0.05 1.05 0.06 5.38 -3.43 -0.64 -0.20 115.29 117.56 3f7u s HIS 94 Ca -0.01 -1.31 0.01 0.00 -0.80 0.00 0.00 55.06 52.95 3f7u s HIS 94 Cb -0.08 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.02 3f7u s HIS 94 CO 0.01 -1.21 -0.05 -0.51 -2.00 0.00 0.00 174.74 170.98 3f7u s LEU 95 N -3.25 2.42 0.06 5.38 1.02 -1.23 -0.51 118.68 122.57 3f7u s LEU 95 Ca 0.30 -0.85 0.09 0.00 0.02 0.00 0.00 54.13 53.68 3f7u s LEU 95 Cb -0.01 0.03 -0.03 0.00 0.02 0.00 0.00 46.19 46.20 3f7u s LEU 95 CO 0.21 -0.44 -0.24 -1.00 0.02 0.00 0.00 176.35 174.90 3f7u s HIS 96 N -3.03 2.10 0.21 0.29 3.76 0.12 -4.63 115.29 114.11 3f7u s HIS 96 Ca 0.02 -0.40 -0.23 0.00 -0.15 0.00 0.00 55.06 54.31 3f7u s HIS 96 Cb 0.01 -1.23 0.05 0.00 1.11 0.00 0.00 32.58 32.52 3f7u s HIS 96 CO -0.05 0.15 0.82 1.67 -0.85 0.00 0.00 174.74 176.48 3f7u s TRP 97 N -0.87 -0.19 0.00 1.40 -2.14 -1.12 -0.84 118.94 115.18 3f7u s TRP 97 Ca 0.10 -0.17 0.00 0.00 2.66 0.00 0.00 56.10 58.69 3f7u s TRP 97 Cb -0.10 0.66 0.00 0.00 -3.10 0.00 0.00 33.47 30.94 3f7u s TRP 97 CO 0.03 -1.01 0.00 0.45 -2.66 0.00 0.00 176.95 173.76 3f7u n SER 98 N -0.45 0.10 -0.13 -2.66 2.88 -1.17 -0.67 113.62 111.51 3f7u n SER 98 Ca -0.06 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.49 3f7u n SER 98 Cb 0.60 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.08 3f7u n SER 98 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3f7u n ASP 99 N 0.00 0.72 -4.22 -3.46 5.68 -1.26 -4.78 116.55 109.23 3f7u n ASP 99 Ca 0.00 -1.73 -0.26 0.00 -0.50 0.00 0.00 54.79 52.30 3f7u n ASP 99 Cb 0.00 -0.11 -0.15 0.00 -1.14 0.00 0.00 41.12 39.72 3f7u n ASP 99 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3f7u s LEU 100 N -0.58 2.08 0.43 -2.12 1.43 -1.26 -5.02 118.68 113.64 3f7u s LEU 100 Ca 0.04 -0.41 0.29 0.00 -1.03 0.00 0.00 54.13 53.02 3f7u s LEU 100 Cb 0.04 -1.00 1.00 0.00 0.03 0.00 0.00 46.19 46.25 3f7u s LEU 100 CO 0.00 0.22 1.82 1.55 0.23 0.00 0.00 176.35 180.18 3f7u h PRO 101 N 5.41 0.00 -0.65 1.29 0.13 -1.95 -2.79 132.00 133.43 3f7u h PRO 101 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3f7u h PRO 101 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3f7u h PRO 101 CO 0.47 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.72 3f7u n TYR 102 N -2.85 1.56 -2.02 1.56 0.18 -1.26 -3.17 117.16 111.16 3f7u n TYR 102 Ca 0.02 -0.61 -0.01 0.00 1.88 0.00 0.00 57.90 59.18 3f7u n TYR 102 Cb 0.36 -0.28 -0.01 0.00 -0.38 0.00 0.00 39.34 39.02 3f7u n TYR 102 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3f7u n LYS 103 N 1.06 0.00 -0.25 -3.48 2.85 -1.05 -4.38 118.16 112.90 3f7u n LYS 103 Ca 0.26 -0.39 0.12 0.00 -1.05 0.00 0.00 58.31 57.25 3f7u n LYS 103 Cb 0.92 0.04 0.25 0.00 -0.65 0.00 0.00 35.03 35.59 3f7u n LYS 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3f7u n GLY 104 N 0.02 2.01 3.92 2.58 0.00 0.18 -4.60 105.19 109.30 3f7u n GLY 104 Ca -0.05 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 3f7u n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f7u s SER 105 N -1.31 5.73 -0.15 1.61 1.04 0.17 -2.81 113.70 117.98 3f7u s SER 105 Ca 0.42 0.63 -0.10 0.00 0.48 0.00 0.00 55.95 57.38 3f7u s SER 105 Cb 0.24 -1.72 -0.05 0.00 0.10 0.00 0.00 66.02 64.59 3f7u s SER 105 CO 0.32 -0.92 -0.13 -0.33 0.98 0.00 0.00 173.24 173.16 3f7u h GLU 106 N 0.02 0.00 -7.08 4.02 5.08 -1.90 -3.45 114.58 111.26 3f7u h GLU 106 Ca -0.46 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.35 3f7u h GLU 106 Cb 1.25 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.64 3f7u h GLU 106 CO 0.60 0.12 0.56 -1.01 -1.00 0.00 0.00 179.01 178.27 3f7u s HIS 107 N -2.24 2.20 0.18 4.33 3.76 -1.26 -4.61 115.29 117.64 3f7u s HIS 107 Ca -0.16 1.43 0.11 0.00 -0.15 0.00 0.00 55.06 56.29 3f7u s HIS 107 Cb 0.02 -3.73 -0.04 0.00 1.11 0.00 0.00 32.58 29.95 3f7u s HIS 107 CO 0.26 -2.85 -0.20 -1.54 -0.85 0.00 0.00 174.74 169.55 3f7u s SER 108 N -1.20 3.66 -0.22 1.40 1.04 -1.15 -4.58 113.70 112.65 3f7u s SER 108 Ca 0.77 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 56.44 3f7u s SER 108 Cb -0.38 -0.39 0.02 0.00 0.10 0.00 0.00 66.02 65.37 3f7u s SER 108 CO 0.43 0.13 -0.11 -0.76 0.98 0.00 0.00 173.24 173.91 3f7u s LEU 109 N -2.59 2.76 -1.43 2.42 1.43 -0.58 -0.62 118.68 120.08 3f7u s LEU 109 Ca 0.21 -0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 3f7u s LEU 109 Cb -0.09 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.60 3f7u s LEU 109 CO 0.11 -0.06 0.69 0.47 0.23 0.00 0.00 176.35 177.78 3f7u n ASP 110 N 4.66 -4.58 0.00 2.29 8.00 0.96 -1.26 116.55 126.62 3f7u n ASP 110 Ca -0.18 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.80 3f7u n ASP 110 Cb 0.49 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 3f7u n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f7u n GLY 111 N -1.43 0.90 3.66 0.44 0.00 -1.26 -5.00 105.19 102.50 3f7u n GLY 111 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3f7u n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f7u s GLU 112 N -0.03 4.10 0.34 1.61 2.02 -0.39 -5.04 118.70 121.31 3f7u s GLU 112 Ca 0.00 -0.08 0.01 0.00 0.02 0.00 0.00 54.97 54.92 3f7u s GLU 112 Cb 0.00 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 3f7u s GLU 112 CO 0.00 -0.01 0.54 -1.01 0.02 0.00 0.00 175.26 174.80 3f7u s HIS 113 N 1.25 3.47 0.48 1.61 3.76 -1.26 -1.52 115.29 123.07 3f7u s HIS 113 Ca 0.12 0.29 0.04 0.00 -0.15 0.00 0.00 55.06 55.37 3f7u s HIS 113 Cb -0.14 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.63 3f7u s HIS 113 CO 0.06 0.11 0.13 -0.06 -0.85 0.00 0.00 174.74 174.13 3f7u s PHE 114 N -2.30 2.08 0.23 1.40 0.40 -1.26 -4.49 117.98 114.04 3f7u s PHE 114 Ca 0.40 -0.81 0.19 0.00 -0.60 0.00 0.00 56.93 56.12 3f7u s PHE 114 Cb -0.10 -1.78 0.78 0.00 0.51 0.00 0.00 43.02 42.43 3f7u s PHE 114 CO 0.35 0.11 1.78 0.00 0.70 0.00 0.00 175.22 178.17 3f7u h ALA 115 N 1.31 1.08 -2.94 5.36 0.00 -1.17 0.58 119.26 123.48 3f7u h ALA 115 Ca -0.42 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.18 3f7u h ALA 115 Cb 1.29 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3f7u h ALA 115 CO 0.71 0.43 0.12 -1.64 0.00 0.00 0.00 179.25 178.87 3f7u s MET 116 N -3.75 1.53 -0.02 0.00 -1.94 -1.18 -3.02 119.30 110.90 3f7u s MET 116 Ca -0.01 -0.88 -0.00 0.00 -1.71 0.00 0.00 55.69 53.09 3f7u s MET 116 Cb 0.12 0.56 0.03 0.00 2.01 0.00 0.00 34.83 37.55 3f7u s MET 116 CO 0.68 -0.67 0.04 -2.00 -0.01 0.00 0.00 175.02 173.06 3f7u s GLU 117 N -3.88 -0.03 -0.14 2.03 2.12 -0.02 -0.60 118.70 118.19 3f7u s GLU 117 Ca 0.10 0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.59 3f7u s GLU 117 Cb -0.03 -0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.07 3f7u s GLU 117 CO 0.00 -0.18 0.05 1.41 -0.54 0.00 0.00 175.26 176.01 3f7u s MET 118 N 1.15 3.54 -0.12 4.30 -2.45 0.14 -0.70 119.30 125.16 3f7u s MET 118 Ca -0.08 -0.33 0.02 0.00 -1.25 0.00 0.00 55.69 54.05 3f7u s MET 118 Cb -0.13 -3.06 -0.01 0.00 1.25 0.00 0.00 34.83 32.89 3f7u s MET 118 CO -0.03 0.52 -0.19 -1.01 1.05 0.00 0.00 175.02 175.35 3f7u s HIS 119 N -0.32 2.68 -0.27 4.11 3.76 0.33 -0.19 115.29 125.38 3f7u s HIS 119 Ca 0.08 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 54.08 3f7u s HIS 119 Cb -0.12 -1.78 0.03 0.00 1.11 0.00 0.00 32.58 31.82 3f7u s HIS 119 CO 0.02 -0.34 -0.03 0.42 -0.85 0.00 0.00 174.74 173.95 3f7u s ILE 120 N 0.38 3.01 -0.30 0.60 1.01 0.22 -1.62 121.20 124.50 3f7u s ILE 120 Ca -0.15 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.29 3f7u s ILE 120 Cb -0.17 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 3f7u s ILE 120 CO 0.07 0.11 0.28 -0.69 0.00 0.00 0.00 174.94 174.72 3f7u s VAL 121 N 1.32 5.24 0.31 2.92 1.01 -0.22 -0.54 120.40 130.45 3f7u s VAL 121 Ca -0.01 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.25 3f7u s VAL 121 Cb -0.17 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 3f7u s VAL 121 CO -0.03 0.10 -0.13 -1.00 0.00 0.00 0.00 175.10 174.04 3f7u s HIS 122 N 1.89 2.37 -0.10 5.22 3.76 0.11 -0.65 115.29 127.89 3f7u s HIS 122 Ca 0.10 -0.41 0.04 0.00 -0.15 0.00 0.00 55.06 54.64 3f7u s HIS 122 Cb -0.16 -1.20 -0.00 0.00 1.11 0.00 0.00 32.58 32.32 3f7u s HIS 122 CO 0.11 0.64 -0.23 -2.00 -0.85 0.00 0.00 174.74 172.40 3f7u s GLU 123 N -3.57 3.06 0.37 1.40 2.56 0.40 -1.60 118.70 121.32 3f7u s GLU 123 Ca 0.31 -0.87 -0.28 0.00 0.00 0.00 0.00 54.97 54.14 3f7u s GLU 123 Cb -0.01 -2.32 -0.10 0.00 2.00 0.00 0.00 34.13 33.70 3f7u s GLU 123 CO 0.16 0.17 1.36 0.21 -0.56 0.00 0.00 175.26 176.61 3f7u s LYS 124 N 0.36 4.15 -0.74 4.30 2.20 0.12 -0.23 119.74 129.90 3f7u s LYS 124 Ca -0.18 2.31 -0.21 0.00 -0.36 0.00 0.00 55.97 57.52 3f7u s LYS 124 Cb -0.18 -2.94 0.09 0.00 -1.51 0.00 0.00 37.83 33.29 3f7u s LYS 124 CO 0.08 -0.40 1.01 -1.21 -0.36 0.00 0.00 175.35 174.47 3f7u s GLU 125 N -2.03 3.25 0.00 4.03 2.02 -0.51 -4.85 118.70 120.61 3f7u s GLU 125 Ca 0.53 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.40 3f7u s GLU 125 Cb -0.41 -4.45 0.00 0.00 0.10 0.00 0.00 34.13 29.37 3f7u s GLU 125 CO 0.55 -1.80 0.00 1.63 0.02 0.00 0.00 175.26 175.66 3f7u n LYS 126 N 7.35 3.38 0.00 1.61 5.02 -1.26 -4.73 118.16 129.52 3f7u n LYS 126 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3f7u n LYS 126 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 3f7u n LYS 126 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3f7u n PRO 137 N 0.00 0.00 0.10 1.97 -0.04 -1.26 -5.18 135.00 130.59 3f7u n PRO 137 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 3f7u n PRO 137 Cb 0.00 0.00 0.45 0.00 -0.04 0.00 0.00 33.50 33.91 3f7u n PRO 137 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3f7u n GLU 138 N 0.00 0.15 -0.89 0.54 0.28 -1.26 -2.80 120.64 116.66 3f7u n GLU 138 Ca 0.00 0.37 0.05 0.00 -0.16 0.00 0.00 57.16 57.42 3f7u n GLU 138 Cb 0.00 -1.78 0.14 0.00 1.43 0.00 0.00 31.44 31.23 3f7u n GLU 138 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3f7u n ASP 139 N -2.07 1.46 0.12 -1.84 3.85 -1.25 -2.35 116.55 114.47 3f7u n ASP 139 Ca 0.03 -3.22 0.05 0.00 -0.71 0.00 0.00 54.79 50.94 3f7u n ASP 139 Cb 0.23 -0.45 0.49 0.00 -1.35 0.00 0.00 41.12 40.04 3f7u n ASP 139 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3f7u h GLU 140 N 0.96 0.28 -5.65 0.11 4.57 -1.26 -3.41 114.58 110.17 3f7u h GLU 140 Ca -0.08 -0.03 -0.68 0.00 -1.18 0.00 0.00 59.36 57.40 3f7u h GLU 140 Cb 1.31 -0.06 -0.30 0.00 -0.16 0.00 0.00 28.75 29.55 3f7u h GLU 140 CO 0.03 0.24 -0.84 0.42 -1.18 0.00 0.00 179.01 177.69 3f7u s ILE 141 N -5.15 2.44 -0.28 2.32 1.01 -0.56 -0.70 121.20 120.28 3f7u s ILE 141 Ca -0.06 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 3f7u s ILE 141 Cb 0.17 -1.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 3f7u s ILE 141 CO 0.71 0.56 0.08 0.00 0.00 0.00 0.00 174.94 176.28 3f7u s ALA 142 N 0.07 3.09 -0.20 9.38 0.00 -0.63 0.23 121.76 133.71 3f7u s ALA 142 Ca -0.09 -1.36 -0.09 0.00 0.00 0.00 0.00 51.96 50.43 3f7u s ALA 142 Cb -0.15 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 3f7u s ALA 142 CO 0.06 -0.79 0.11 0.08 0.00 0.00 0.00 175.76 175.21 3f7u s VAL 143 N 1.54 5.11 -0.27 0.00 1.01 -1.03 0.05 120.40 126.80 3f7u s VAL 143 Ca 0.04 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 3f7u s VAL 143 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3f7u s VAL 143 CO 0.03 0.42 0.47 -0.76 0.00 0.00 0.00 175.10 175.25 3f7u s LEU 144 N 0.58 4.08 -0.13 3.92 1.43 0.30 -1.91 118.68 126.95 3f7u s LEU 144 Ca 0.06 0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.53 3f7u s LEU 144 Cb -0.12 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 3f7u s LEU 144 CO 0.01 -0.28 -0.13 0.00 0.23 0.00 0.00 176.35 176.18 3f7u s ALA 145 N 2.24 2.64 -0.05 4.21 0.00 -0.10 -0.61 121.76 130.10 3f7u s ALA 145 Ca 0.19 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.32 3f7u s ALA 145 Cb -0.16 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 3f7u s ALA 145 CO 0.10 0.26 -0.23 -0.06 0.00 0.00 0.00 175.76 175.83 3f7u s PHE 146 N 0.30 2.27 0.00 0.00 0.40 0.73 -1.86 117.98 119.82 3f7u s PHE 146 Ca -0.10 -0.66 -0.08 0.00 -0.60 0.00 0.00 56.93 55.50 3f7u s PHE 146 Cb -0.16 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.83 3f7u s PHE 146 CO 0.05 -0.20 0.28 -0.51 0.70 0.00 0.00 175.22 175.54 3f7u s LEU 147 N -0.14 4.38 -0.13 -0.37 1.43 -1.26 0.28 118.68 122.86 3f7u s LEU 147 Ca -0.03 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 3f7u s LEU 147 Cb -0.13 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.46 3f7u s LEU 147 CO 0.03 0.27 -0.21 -0.69 0.23 0.00 0.00 176.35 175.98 3f7u s VAL 148 N -1.26 2.20 0.02 -1.59 1.01 0.23 -0.41 120.40 120.60 3f7u s VAL 148 Ca 0.26 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3f7u s VAL 148 Cb -0.13 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3f7u s VAL 148 CO 0.15 0.54 -0.02 -1.83 0.00 0.00 0.00 175.10 173.94 3f7u s GLU 149 N 0.71 2.66 0.19 2.72 -1.05 0.83 -1.36 118.70 123.40 3f7u s GLU 149 Ca -0.09 -0.70 -0.24 0.00 -0.15 0.00 0.00 54.97 53.79 3f7u s GLU 149 Cb -0.16 -2.59 -0.08 0.00 -0.44 0.00 0.00 34.13 30.86 3f7u s GLU 149 CO 0.01 0.60 0.77 0.00 0.95 0.00 0.00 175.26 177.59 3f7u s ALA 150 N -1.12 3.42 0.00 -0.84 0.00 -1.26 -1.65 121.76 120.31 3f7u s ALA 150 Ca 0.20 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.48 3f7u s ALA 150 Cb -0.11 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3f7u s ALA 150 CO 0.11 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3f7u n GLY 151 N 1.26 3.28 0.44 0.00 0.00 -0.10 -4.89 105.19 105.18 3f7u n GLY 151 Ca -0.04 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.56 3f7u n GLY 151 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f7u n THR 151 N 0.00 0.42 -2.94 2.61 -2.24 -1.26 -0.81 114.28 110.07 3f7u n THR 151 Ca 0.00 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 3f7u n THR 151 Cb 0.00 0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 3f7u n THR 151 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3f7u s GLN 152 N -0.87 3.99 -0.00 -0.78 0.74 -1.26 -4.92 119.66 116.55 3f7u s GLN 152 Ca 0.14 0.62 -0.30 0.00 0.05 0.00 0.00 55.36 55.88 3f7u s GLN 152 Cb 0.09 -3.72 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 3f7u s GLN 152 CO 0.12 -0.66 1.34 0.08 -0.55 0.00 0.00 175.29 175.62 3f7u s VAL 153 N 2.95 3.84 -0.54 1.34 1.01 -1.26 -2.57 120.40 125.17 3f7u s VAL 153 Ca 0.33 1.23 -0.19 0.00 0.00 0.00 0.00 61.98 63.34 3f7u s VAL 153 Cb -0.14 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.53 3f7u s VAL 153 CO 0.12 0.01 0.66 0.21 0.00 0.00 0.00 175.10 176.10 3f7u s ASN 154 N 1.70 6.21 0.26 3.32 3.84 -1.26 -4.90 114.94 124.10 3f7u s ASN 154 Ca 0.62 -1.13 -0.05 0.00 0.21 0.00 0.00 52.86 52.51 3f7u s ASN 154 Cb -0.30 -2.29 0.32 0.00 -0.55 0.00 0.00 41.25 38.43 3f7u s ASN 154 CO 0.26 -0.98 1.92 -0.33 -2.79 0.00 0.00 177.10 175.18 3f7u h GLU 155 N 9.07 1.21 0.00 0.43 4.39 -1.94 -2.92 114.58 124.83 3f7u h GLU 155 Ca -0.28 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 3f7u h GLU 155 Cb 1.09 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3f7u h GLU 155 CO 1.02 0.83 -0.11 0.78 -1.16 0.00 0.00 179.01 180.37 3f7u h GLY 156 N 1.24 0.00 1.68 -3.84 0.00 -1.91 -2.45 103.07 97.79 3f7u h GLY 156 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3f7u h GLY 156 CO -0.06 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.17 3f7u n PHE 157 N -3.91 0.00 -0.10 5.60 3.01 -1.10 -4.35 117.46 116.61 3f7u n PHE 157 Ca -0.02 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.34 3f7u n PHE 157 Cb 0.21 -0.34 0.05 0.00 -0.01 0.00 0.00 39.48 39.39 3f7u n PHE 157 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3f7u h GLN 158 N 0.00 0.83 -0.89 -1.08 1.08 -1.53 -1.09 115.11 112.44 3f7u h GLN 158 Ca 0.00 -0.37 0.05 0.00 -1.45 0.00 0.00 58.65 56.88 3f7u h GLN 158 Cb 0.33 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 3f7u h GLN 158 CO 0.00 1.00 0.56 -1.35 -0.95 0.00 0.00 178.83 178.10 3f7u h PRO 159 N 0.71 1.04 -0.08 1.46 0.11 -1.80 0.35 132.00 133.79 3f7u h PRO 159 Ca 0.09 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 3f7u h PRO 159 Cb 0.81 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 3f7u h PRO 159 CO 0.07 0.69 -0.02 1.25 -0.21 0.00 0.00 178.00 179.78 3f7u h LEU 160 N 1.07 0.16 -0.80 2.35 5.85 -1.73 -2.04 115.31 120.15 3f7u h LEU 160 Ca 0.37 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3f7u h LEU 160 Cb 0.07 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3f7u h LEU 160 CO -0.14 0.49 0.08 0.58 -0.34 0.00 0.00 178.44 179.11 3f7u h VAL 161 N -0.18 1.25 -0.49 1.05 2.07 -0.65 -1.05 116.25 118.25 3f7u h VAL 161 Ca 0.02 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 3f7u h VAL 161 Cb 0.42 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3f7u h VAL 161 CO 0.01 0.37 0.17 -0.33 0.02 0.00 0.00 177.57 177.81 3f7u h GLU 162 N 0.92 0.71 0.00 1.57 5.08 -0.35 -2.97 114.58 119.55 3f7u h GLU 162 Ca 0.18 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3f7u h GLU 162 Cb 0.42 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3f7u h GLU 162 CO 0.01 0.61 -0.27 0.00 -1.00 0.00 0.00 179.01 178.36 3f7u h ALA 163 N 1.49 1.19 -0.53 3.43 0.00 -0.44 -3.14 119.26 121.25 3f7u h ALA 163 Ca 0.17 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3f7u h ALA 163 Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3f7u h ALA 163 CO -0.01 0.34 0.36 -0.07 0.00 0.00 0.00 179.25 179.87 3f7u h LEU 164 N 0.00 0.29 0.00 0.00 3.38 -1.25 0.80 115.31 118.53 3f7u h LEU 164 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f7u h LEU 164 Cb 0.64 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3f7u h LEU 164 CO 0.04 0.18 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 3f7u n SER 165 N -4.46 0.00 -0.56 -0.43 3.41 -1.19 -1.50 113.62 108.90 3f7u n SER 165 Ca 0.08 -0.38 0.13 0.00 -0.26 0.00 0.00 58.87 58.44 3f7u n SER 165 Cb 0.37 -0.17 0.26 0.00 -0.26 0.00 0.00 64.21 64.41 3f7u n SER 165 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3f7u n ASN 166 N -1.17 1.91 -2.81 4.04 3.02 0.27 -4.43 115.26 116.09 3f7u n ASN 166 Ca 0.15 -1.50 -0.20 0.00 -0.03 0.00 0.00 54.58 53.01 3f7u n ASN 166 Cb 0.16 0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 3f7u n ASN 166 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3f7u n ILE 167 N 0.25 1.55 0.21 2.41 -5.35 -0.56 -4.82 119.36 113.06 3f7u n ILE 167 Ca 0.14 -4.51 0.08 0.00 -0.27 0.00 0.00 62.75 58.19 3f7u n ILE 167 Cb 0.44 -0.54 0.43 0.00 -1.74 0.00 0.00 39.64 38.24 3f7u n ILE 167 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3f7u h PRO 168 N 2.89 0.00 -6.66 6.28 0.13 -1.74 -3.43 132.00 129.46 3f7u h PRO 168 Ca 0.11 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.55 3f7u h PRO 168 Cb 0.90 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.83 3f7u h PRO 168 CO 0.66 0.29 -0.81 0.15 -0.23 0.00 0.00 178.00 178.07 3f7u s LYS 169 N -3.76 1.91 0.29 0.86 1.02 -1.26 0.05 119.74 118.84 3f7u s LYS 169 Ca -0.01 -1.09 -0.28 0.00 0.02 0.00 0.00 55.97 54.61 3f7u s LYS 169 Cb 0.11 -2.14 -0.14 0.00 -0.52 0.00 0.00 37.83 35.15 3f7u s LYS 169 CO 0.66 0.51 1.07 -2.30 -0.92 0.00 0.00 175.35 174.36 3f7u n PRO 170 N 1.17 1.48 -1.02 -1.68 -0.01 -1.26 -2.08 135.00 131.60 3f7u n PRO 170 Ca -0.16 0.52 -0.01 0.00 -0.01 0.00 0.00 63.50 63.84 3f7u n PRO 170 Cb 0.52 -1.93 -0.00 0.00 -0.01 0.00 0.00 33.50 32.08 3f7u n PRO 170 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 3f7u n GLU 171 N 0.77 -0.18 -3.55 -0.52 1.02 0.50 -4.90 120.64 113.77 3f7u n GLU 171 Ca 0.09 0.23 -0.36 0.00 -0.02 0.00 0.00 57.16 57.09 3f7u n GLU 171 Cb 0.32 -3.53 -0.06 0.00 -0.02 0.00 0.00 31.44 28.16 3f7u n GLU 171 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3f7u s MET 172 N -0.87 3.83 0.18 3.49 -1.94 -0.88 -4.95 119.30 118.15 3f7u s MET 172 Ca 0.00 0.28 0.04 0.00 -1.71 0.00 0.00 55.69 54.31 3f7u s MET 172 Cb 0.00 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.69 3f7u s MET 172 CO 0.00 0.63 -0.07 -1.54 -0.01 0.00 0.00 175.02 174.02 3f7u s SER 173 N -1.41 1.86 0.25 3.03 1.04 -1.26 -2.07 113.70 115.14 3f7u s SER 173 Ca 0.28 -1.08 -0.14 0.00 0.48 0.00 0.00 55.95 55.50 3f7u s SER 173 Cb -0.15 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.95 3f7u s SER 173 CO 0.15 -0.38 0.50 0.28 0.98 0.00 0.00 173.24 174.78 3f7u s THR 174 N -3.33 0.00 -0.16 2.02 -1.32 -0.04 -4.95 115.64 107.86 3f7u s THR 174 Ca 0.21 -1.37 -0.03 0.00 -1.21 0.00 0.00 61.69 59.29 3f7u s THR 174 Cb 0.03 -2.18 -0.02 0.00 -1.51 0.00 0.00 72.50 68.82 3f7u s THR 174 CO 0.03 -0.00 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.50 3f7u s THR 175 N -4.01 3.64 0.49 5.08 2.01 -1.26 -1.45 115.64 120.14 3f7u s THR 175 Ca 0.21 -0.44 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 3f7u s THR 175 Cb -0.01 -2.59 -0.08 0.00 0.01 0.00 0.00 72.50 69.83 3f7u s THR 175 CO 0.09 0.49 0.93 -0.04 -0.69 0.00 0.00 174.62 175.40 3f7u s MET 176 N 0.50 3.91 0.67 4.92 -1.94 0.12 -4.98 119.30 122.50 3f7u s MET 176 Ca -0.05 0.83 -0.15 0.00 -1.71 0.00 0.00 55.69 54.61 3f7u s MET 176 Cb -0.15 -2.20 0.01 0.00 2.01 0.00 0.00 34.83 34.50 3f7u s MET 176 CO 0.03 -0.21 1.14 0.00 -0.01 0.00 0.00 175.02 175.97 3f7u s ALA 177 N -2.56 2.38 0.33 3.03 0.00 -1.26 -4.08 121.76 119.60 3f7u s ALA 177 Ca 0.57 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.92 3f7u s ALA 177 Cb -0.10 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 3f7u s ALA 177 CO 0.31 -1.42 0.85 0.39 0.00 0.00 0.00 175.76 175.90 3f7u n GLU 178 N -2.45 1.03 -3.78 0.00 -0.58 -1.26 -4.75 120.64 108.85 3f7u n GLU 178 Ca 0.11 0.36 0.02 0.00 -0.42 0.00 0.00 57.16 57.23 3f7u n GLU 178 Cb 0.51 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 3f7u n GLU 178 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3f7u s SER 179 N -0.73 -0.03 0.37 1.62 1.04 -0.62 -4.89 113.70 110.46 3f7u s SER 179 Ca 0.61 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.91 3f7u s SER 179 Cb -0.68 0.17 -0.07 0.00 0.10 0.00 0.00 66.02 65.54 3f7u s SER 179 CO 0.59 -0.33 0.03 -0.94 0.98 0.00 0.00 173.24 173.57 3f7u s SER 180 N -3.33 3.16 0.18 7.02 1.04 -1.26 -0.92 113.70 119.59 3f7u s SER 180 Ca 0.21 -1.36 -0.04 0.00 0.48 0.00 0.00 55.95 55.23 3f7u s SER 180 Cb 0.02 -0.25 0.08 0.00 0.10 0.00 0.00 66.02 65.98 3f7u s SER 180 CO -0.02 -0.51 1.48 -0.07 0.98 0.00 0.00 173.24 175.10 3f7u h LEU 181 N 1.95 0.65 -1.87 2.42 3.38 -1.76 -3.01 115.31 117.07 3f7u h LEU 181 Ca -0.42 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.17 3f7u h LEU 181 Cb 1.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3f7u h LEU 181 CO 0.75 1.08 -0.07 -0.07 0.09 0.00 0.00 178.44 180.22 3f7u h LEU 182 N 0.44 0.00 -1.94 1.67 4.07 -1.35 -0.02 115.31 118.17 3f7u h LEU 182 Ca 0.00 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.15 3f7u h LEU 182 Cb 1.12 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.83 3f7u h LEU 182 CO 0.11 0.07 0.47 0.44 -1.08 0.00 0.00 178.44 178.45 3f7u h ASP 183 N 0.00 0.05 0.80 -0.43 3.32 -1.79 -1.92 116.42 116.44 3f7u h ASP 183 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3f7u h ASP 183 Cb 0.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3f7u h ASP 183 CO 0.01 0.02 -0.36 0.18 -1.72 0.00 0.00 179.24 177.37 3f7u n LEU 184 N -4.36 0.45 -4.68 1.55 4.77 -0.03 -4.19 117.00 110.51 3f7u n LEU 184 Ca 0.13 0.23 -0.25 0.00 -0.03 0.00 0.00 56.01 56.09 3f7u n LEU 184 Cb 0.69 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 3f7u n LEU 184 CO 0.37 0.02 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.46 3f7u s LEU 185 N -3.43 3.05 1.02 2.23 1.43 -0.72 -5.00 118.68 117.26 3f7u s LEU 185 Ca 0.11 -1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 52.05 3f7u s LEU 185 Cb 0.16 -1.37 0.20 0.00 0.03 0.00 0.00 46.19 45.21 3f7u s LEU 185 CO 0.65 -0.38 1.08 -2.84 0.23 0.00 0.00 176.35 175.09 3f7u s PRO 186 N -3.80 0.24 0.00 1.29 0.02 -1.26 -4.98 135.00 126.52 3f7u s PRO 186 Ca 0.37 0.96 0.00 0.00 0.02 0.00 0.00 61.00 62.36 3f7u s PRO 186 Cb 0.02 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.86 3f7u s PRO 186 CO 0.21 -2.97 0.00 1.63 -0.33 0.00 0.00 177.00 175.53 3f7u n LYS 187 N -4.41 3.14 0.00 5.54 5.02 -1.26 -4.93 118.16 121.26 3f7u n LYS 187 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3f7u n LYS 187 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 3f7u n LYS 187 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3f7u n GLU 187 N 0.00 0.00 -0.06 1.97 1.02 -1.26 -3.44 120.64 118.88 3f7u n GLU 187 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 3f7u n GLU 187 Cb 0.00 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 31.73 3f7u n GLU 187 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3f7u n LYS 188 N 0.00 2.04 -0.61 3.49 5.02 -1.26 -4.29 118.16 122.56 3f7u n LYS 188 Ca 0.00 -1.54 0.10 0.00 -2.02 0.00 0.00 58.31 54.84 3f7u n LYS 188 Cb 0.00 -1.46 0.36 0.00 -0.02 0.00 0.00 35.03 33.91 3f7u n LYS 188 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3f7u n LEU 189 N 0.82 4.75 0.20 -0.35 4.77 -1.22 -4.42 117.00 121.54 3f7u n LEU 189 Ca 0.17 -2.44 0.04 0.00 -0.03 0.00 0.00 56.01 53.75 3f7u n LEU 189 Cb 0.47 -0.58 0.43 0.00 -2.33 0.00 0.00 43.42 41.41 3f7u n LEU 189 CO 0.15 0.82 0.81 0.03 -1.33 0.00 0.00 177.39 177.87 3f7u h ARG 189 N 4.08 0.00 -5.33 3.23 3.08 -1.93 -3.43 114.38 114.08 3f7u h ARG 189 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3f7u h ARG 189 Cb 1.44 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.35 3f7u h ARG 189 CO 0.22 0.28 -0.02 -1.01 -1.07 0.00 0.00 179.97 178.38 3f7u s HIS 190 N -4.39 3.23 0.17 3.04 3.76 -1.26 -4.76 115.29 115.08 3f7u s HIS 190 Ca -0.03 0.48 -0.14 0.00 -0.15 0.00 0.00 55.06 55.22 3f7u s HIS 190 Cb 0.15 -2.80 0.01 0.00 1.11 0.00 0.00 32.58 31.05 3f7u s HIS 190 CO 0.71 -0.38 0.40 1.52 -0.85 0.00 0.00 174.74 176.15 3f7u s TYR 191 N 2.36 0.06 0.09 1.40 -0.85 -1.26 -1.92 117.35 117.22 3f7u s TYR 191 Ca 0.21 -0.41 0.04 0.00 -0.52 0.00 0.00 57.07 56.39 3f7u s TYR 191 Cb -0.15 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 3f7u s TYR 191 CO 0.11 -0.80 0.03 -0.06 -1.52 0.00 0.00 175.55 173.31 3f7u s PHE 192 N -3.89 3.05 -0.03 -3.49 0.08 0.83 -1.56 117.98 112.97 3f7u s PHE 192 Ca 0.11 0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.16 3f7u s PHE 192 Cb 0.01 -1.56 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 3f7u s PHE 192 CO -0.04 0.49 0.01 0.50 -0.10 0.00 0.00 175.22 176.09 3f7u s ARG 193 N -2.36 0.19 0.24 0.44 6.06 0.64 -0.98 118.95 123.16 3f7u s ARG 193 Ca 0.27 0.13 -0.21 0.00 -2.50 0.00 0.00 55.73 53.42 3f7u s ARG 193 Cb -0.12 -0.43 0.03 0.00 0.06 0.00 0.00 34.95 34.50 3f7u s ARG 193 CO 0.20 -0.16 0.66 1.52 -2.50 0.00 0.00 175.30 175.01 3f7u s TYR 194 N 1.14 -0.26 -0.13 5.12 1.13 -1.03 -1.30 117.35 122.01 3f7u s TYR 194 Ca -0.08 -0.11 -0.07 0.00 -1.41 0.00 0.00 57.07 55.39 3f7u s TYR 194 Cb -0.13 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 3f7u s TYR 194 CO -0.02 -1.09 0.14 -0.51 -2.51 0.00 0.00 175.55 171.56 3f7u s LEU 195 N -2.87 4.35 0.00 -3.49 1.43 -1.26 -0.87 118.68 115.97 3f7u s LEU 195 Ca 0.08 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 3f7u s LEU 195 Cb -0.04 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3f7u s LEU 195 CO 0.00 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.57 3f7u n GLY 196 N 2.24 2.50 3.37 -3.19 0.00 -0.68 -4.91 105.19 104.53 3f7u n GLY 196 Ca -0.19 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 3f7u n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f7u s SER 197 N 2.00 2.57 0.50 1.61 1.04 -1.21 -1.86 113.70 118.35 3f7u s SER 197 Ca 0.00 -1.10 -0.23 0.00 0.48 0.00 0.00 55.95 55.09 3f7u s SER 197 Cb 0.00 -0.13 -0.06 0.00 0.10 0.00 0.00 66.02 65.92 3f7u s SER 197 CO 0.00 -0.27 1.40 -0.76 0.98 0.00 0.00 173.24 174.59 3f7u s LEU 198 N -3.36 3.97 0.00 2.42 1.43 -0.70 -4.35 118.68 118.08 3f7u s LEU 198 Ca 0.26 2.85 0.20 0.00 -1.03 0.00 0.00 54.13 56.41 3f7u s LEU 198 Cb 0.02 -4.12 0.55 0.00 0.03 0.00 0.00 46.19 42.66 3f7u s LEU 198 CO 0.09 -1.41 1.44 0.35 0.23 0.00 0.00 176.35 177.05 3f7u n THR 199 N -0.66 0.46 -4.27 5.49 -2.24 -1.26 -4.33 114.28 107.47 3f7u n THR 199 Ca 0.08 -0.59 -0.17 0.00 -2.27 0.00 0.00 64.05 61.10 3f7u n THR 199 Cb 0.43 0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 69.12 3f7u n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3f7u s THR 200 N -1.54 1.39 0.36 4.28 -4.23 -1.26 -4.67 115.64 109.96 3f7u s THR 200 Ca 0.35 -1.90 -0.27 0.00 -1.18 0.00 0.00 61.69 58.69 3f7u s THR 200 Cb 0.19 -1.72 -0.12 0.00 1.34 0.00 0.00 72.50 72.20 3f7u s THR 200 CO 0.27 -0.53 1.12 -2.65 -0.54 0.00 0.00 174.62 172.29 3f7u n PRO 201 N 0.17 1.64 -0.40 3.99 -0.02 -1.26 -1.06 135.00 138.06 3f7u n PRO 201 Ca -0.13 0.58 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 3f7u n PRO 201 Cb 0.58 -2.10 0.18 0.00 -0.02 0.00 0.00 33.50 32.15 3f7u n PRO 201 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3f7u n THR 202 N -0.01 1.21 -2.90 3.45 -2.24 -1.26 -4.97 114.28 107.56 3f7u n THR 202 Ca 0.08 -0.62 -0.20 0.00 -2.27 0.00 0.00 64.05 61.04 3f7u n THR 202 Cb 0.36 -0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.21 3f7u n THR 202 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f7u n ASP 204 N -2.24 2.77 -3.83 0.00 9.92 -1.26 -4.37 116.55 117.54 3f7u n ASP 204 Ca -0.12 1.19 -0.42 0.00 -0.53 0.00 0.00 54.79 54.91 3f7u n ASP 204 Cb 0.61 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 3f7u n ASP 204 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3f7u n GLU 205 N 0.45 3.93 -0.99 -1.24 1.02 -1.26 -1.72 120.64 120.82 3f7u n GLU 205 Ca 0.05 -3.70 0.03 0.00 -0.02 0.00 0.00 57.16 53.51 3f7u n GLU 205 Cb 0.37 -2.81 0.02 0.00 -0.02 0.00 0.00 31.44 29.00 3f7u n GLU 205 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3f7u n LYS 206 N 3.08 0.10 -4.33 3.49 2.85 -1.17 -4.61 118.16 117.57 3f7u n LYS 206 Ca 0.41 -1.64 -0.34 0.00 -1.05 0.00 0.00 58.31 55.69 3f7u n LYS 206 Cb 0.34 -0.32 -0.11 0.00 -0.65 0.00 0.00 35.03 34.29 3f7u n LYS 206 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3f7u s VAL 207 N -0.21 4.10 -0.30 0.58 1.01 -0.78 -1.50 120.40 123.30 3f7u s VAL 207 Ca 0.20 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 3f7u s VAL 207 Cb 0.22 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3f7u s VAL 207 CO -0.09 0.50 0.47 0.54 0.00 0.00 0.00 175.10 176.52 3f7u s VAL 208 N 0.21 5.09 0.05 2.92 0.11 0.14 -1.68 120.40 127.23 3f7u s VAL 208 Ca -0.01 0.56 -0.19 0.00 -2.93 0.00 0.00 61.98 59.42 3f7u s VAL 208 Cb -0.13 -3.84 -0.06 0.00 -1.53 0.00 0.00 36.38 30.81 3f7u s VAL 208 CO 0.02 -0.01 0.54 0.26 -3.33 0.00 0.00 175.10 172.59 3f7u s TRP 209 N 2.26 3.77 -0.12 1.54 0.52 -0.05 -2.47 118.94 124.39 3f7u s TRP 209 Ca 0.18 1.21 0.01 0.00 0.02 0.00 0.00 56.10 57.52 3f7u s TRP 209 Cb -0.16 -2.48 0.02 0.00 -1.15 0.00 0.00 33.47 29.70 3f7u s TRP 209 CO 0.11 0.56 -0.14 0.99 0.02 0.00 0.00 176.95 178.48 3f7u s THR 210 N -0.94 1.48 -0.21 2.01 2.01 -0.81 -2.48 115.64 116.71 3f7u s THR 210 Ca 0.28 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3f7u s THR 210 Cb -0.19 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 70.98 3f7u s THR 210 CO 0.18 0.44 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.72 3f7u s VAL 211 N 1.15 2.43 0.22 3.82 1.01 -0.15 -0.92 120.40 127.97 3f7u s VAL 211 Ca -0.03 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 3f7u s VAL 211 Cb -0.14 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 3f7u s VAL 211 CO -0.04 0.37 1.12 -0.36 0.00 0.00 0.00 175.10 176.19 3f7u s PHE 212 N 1.30 3.56 0.30 5.22 0.40 -0.77 -0.12 117.98 127.87 3f7u s PHE 212 Ca 0.02 1.61 0.02 0.00 -0.60 0.00 0.00 56.93 57.99 3f7u s PHE 212 Cb -0.15 -3.30 0.49 0.00 0.51 0.00 0.00 43.02 40.56 3f7u s PHE 212 CO -0.09 -0.68 1.82 -0.09 0.70 0.00 0.00 175.22 176.88 3f7u h ARG 213 N 4.56 0.62 -5.91 0.44 2.43 -1.73 -3.43 114.38 111.35 3f7u h ARG 213 Ca -0.45 -0.15 -0.58 0.00 -0.81 0.00 0.00 59.98 57.98 3f7u h ARG 213 Cb 1.21 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.61 3f7u h ARG 213 CO 0.70 0.65 0.34 -2.00 -1.51 0.00 0.00 179.97 178.16 3f7u s GLU 214 N -4.94 4.29 0.64 0.20 2.56 -1.26 -5.02 118.70 115.17 3f7u s GLU 214 Ca -0.08 0.96 -0.12 0.00 0.00 0.00 0.00 54.97 55.73 3f7u s GLU 214 Cb 0.15 -3.57 -0.02 0.00 2.00 0.00 0.00 34.13 32.69 3f7u s GLU 214 CO 0.78 -0.30 1.04 -2.14 -0.56 0.00 0.00 175.26 174.08 3f7u s PRO 215 N 2.07 3.29 0.10 4.30 0.02 -1.26 -4.68 135.00 138.84 3f7u s PRO 215 Ca 0.37 0.93 -0.24 0.00 0.02 0.00 0.00 61.00 62.07 3f7u s PRO 215 Cb -0.16 -2.04 -0.07 0.00 0.02 0.00 0.00 34.50 32.25 3f7u s PRO 215 CO 0.12 -0.82 0.75 0.42 -0.33 0.00 0.00 177.00 177.14 3f7u s ILE 216 N -2.96 4.58 -0.21 2.83 1.01 0.45 -4.83 121.20 122.06 3f7u s ILE 216 Ca 0.58 1.61 -0.15 0.00 0.00 0.00 0.00 60.65 62.69 3f7u s ILE 216 Cb -0.13 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3f7u s ILE 216 CO 0.50 0.45 0.35 -1.10 0.00 0.00 0.00 174.94 175.14 3f7u s GLN 217 N -0.64 4.15 0.04 2.79 -1.52 -1.26 -0.12 119.66 123.09 3f7u s GLN 217 Ca 0.36 0.10 0.05 0.00 -1.95 0.00 0.00 55.36 53.92 3f7u s GLN 217 Cb -0.21 -3.54 -0.02 0.00 -0.22 0.00 0.00 33.01 29.01 3f7u s GLN 217 CO 0.24 -0.03 -0.16 -0.51 -0.25 0.00 0.00 175.29 174.58 3f7u s LEU 218 N 1.29 2.18 0.53 2.90 1.02 -0.66 -4.59 118.68 121.34 3f7u s LEU 218 Ca 0.16 -0.48 -0.22 0.00 0.02 0.00 0.00 54.13 53.61 3f7u s LEU 218 Cb -0.14 -0.69 -0.05 0.00 0.02 0.00 0.00 46.19 45.32 3f7u s LEU 218 CO 0.07 0.06 1.33 -2.28 0.02 0.00 0.00 176.35 175.55 3f7u s HIS 219 N -0.86 2.40 0.27 0.29 2.46 -1.06 -0.92 115.29 117.87 3f7u s HIS 219 Ca 0.03 1.39 0.01 0.00 0.47 0.00 0.00 55.06 56.96 3f7u s HIS 219 Cb -0.08 -3.74 0.62 0.00 -0.13 0.00 0.00 32.58 29.25 3f7u s HIS 219 CO 0.01 -2.67 1.71 0.00 -2.47 0.00 0.00 174.74 171.33 3f7u h ARG 220 N 1.61 0.43 0.00 2.88 3.08 -1.32 0.51 114.38 121.57 3f7u h ARG 220 Ca -0.51 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.52 3f7u h ARG 220 Cb 1.29 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3f7u h ARG 220 CO 0.58 0.28 0.00 0.93 -1.07 0.00 0.00 179.97 180.69 3f7u h GLU 221 N 0.44 0.00 0.02 0.04 5.08 -1.90 0.03 114.58 118.29 3f7u h GLU 221 Ca 0.50 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.64 3f7u h GLU 221 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3f7u h GLU 221 CO -0.48 0.00 -0.97 1.96 -1.00 0.00 0.00 179.01 178.53 3f7u h GLN 222 N 0.00 0.33 -0.24 2.33 4.20 -1.28 -2.18 115.11 118.27 3f7u h GLN 222 Ca 0.00 -0.38 -0.07 0.00 0.06 0.00 0.00 58.65 58.26 3f7u h GLN 222 Cb 0.70 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3f7u h GLN 222 CO 0.00 1.08 -0.12 0.82 -0.67 0.00 0.00 178.83 179.94 3f7u h ILE 223 N 0.17 1.30 -0.40 2.54 2.04 -1.11 -3.09 117.51 118.97 3f7u h ILE 223 Ca -0.08 -1.21 0.09 0.00 1.00 0.00 0.00 64.86 64.67 3f7u h ILE 223 Cb 1.62 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 3f7u h ILE 223 CO 0.16 0.37 0.28 -0.07 0.00 0.00 0.00 178.15 178.89 3f7u h LEU 224 N 0.22 0.10 -1.41 1.44 3.38 -0.99 -2.27 115.31 115.78 3f7u h LEU 224 Ca 0.05 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.28 3f7u h LEU 224 Cb 0.63 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 3f7u h LEU 224 CO 0.04 0.06 0.66 0.00 0.09 0.00 0.00 178.44 179.28 3f7u h ALA 225 N 1.80 2.24 0.11 1.53 0.00 -1.30 0.19 119.26 123.83 3f7u h ALA 225 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3f7u h ALA 225 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3f7u h ALA 225 CO -0.02 -0.62 -0.05 0.74 0.00 0.00 0.00 179.25 179.30 3f7u h PHE 226 N 0.39 -0.14 0.00 0.00 -1.00 -1.53 -0.34 116.94 114.33 3f7u h PHE 226 Ca 0.57 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.34 3f7u h PHE 226 Cb 1.44 0.05 0.00 0.00 3.61 0.00 0.00 35.95 41.05 3f7u h PHE 226 CO -0.00 0.22 0.00 0.66 -1.61 0.00 0.00 178.31 177.58 3f7u h SER 227 N -0.52 0.00 0.91 2.17 4.64 -1.54 -2.80 113.55 116.42 3f7u h SER 227 Ca -0.02 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 3f7u h SER 227 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 3f7u h SER 227 CO 0.02 0.00 -1.13 1.56 -0.87 0.00 0.00 176.83 176.41 3f7u h GLN 227 N 0.00 0.00 0.00 4.77 4.20 -0.45 -3.38 115.11 120.25 3f7u h GLN 227 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3f7u h GLN 227 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3f7u h GLN 227 CO 0.00 0.83 -1.66 1.63 -0.67 0.00 0.00 178.83 178.96 3f7u n LYS 228 N -3.26 0.49 -4.28 1.46 5.02 -0.15 -5.02 118.16 112.41 3f7u n LYS 228 Ca -0.04 -0.13 -0.29 0.00 -2.02 0.00 0.00 58.31 55.83 3f7u n LYS 228 Cb 0.95 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 3f7u n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3f7u s LEU 229 N -4.01 2.86 0.11 -0.35 1.43 -1.06 -4.27 118.68 113.41 3f7u s LEU 229 Ca -0.03 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 3f7u s LEU 229 Cb 0.14 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3f7u s LEU 229 CO 0.88 0.16 -0.17 -0.31 0.23 0.00 0.00 176.35 177.13 3f7u s TYR 230 N -1.34 1.55 0.23 0.29 1.51 0.11 -0.46 117.35 119.24 3f7u s TYR 230 Ca 0.21 -0.48 -0.05 0.00 -1.01 0.00 0.00 57.07 55.74 3f7u s TYR 230 Cb -0.10 -0.83 0.24 0.00 -0.11 0.00 0.00 41.96 41.16 3f7u s TYR 230 CO 0.13 0.18 1.76 1.88 -1.11 0.00 0.00 175.55 178.38 3f7u h TYR 231 N 3.81 1.03 -2.98 2.71 0.05 -1.63 -3.38 116.97 116.58 3f7u h TYR 231 Ca -0.42 -0.12 -0.64 0.00 0.05 0.00 0.00 58.73 57.60 3f7u h TYR 231 Cb 1.19 -0.29 -0.18 0.00 1.01 0.00 0.00 36.73 38.46 3f7u h TYR 231 CO 0.64 0.86 -0.81 0.16 -1.05 0.00 0.00 178.16 177.96 3f7u s ASP 232 N -6.53 3.44 0.00 3.88 -4.77 -1.26 -4.53 116.67 106.90 3f7u s ASP 232 Ca -0.11 -0.90 0.09 0.00 -3.30 0.00 0.00 52.55 48.33 3f7u s ASP 232 Cb 0.15 -0.26 0.41 0.00 -1.09 0.00 0.00 42.92 42.13 3f7u s ASP 232 CO 0.83 0.10 1.28 0.29 0.70 0.00 0.00 175.17 178.37 3f7u n LYS 233 N 0.07 0.02 0.09 2.11 5.02 -1.26 -1.18 118.16 123.03 3f7u n LYS 233 Ca -0.11 0.32 0.13 0.00 -2.02 0.00 0.00 58.31 56.63 3f7u n LYS 233 Cb 0.57 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.53 3f7u n LYS 233 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3f7u n GLU 236 N -1.47 0.21 -3.98 1.97 4.71 -1.26 -4.93 120.64 115.90 3f7u n GLU 236 Ca 0.03 0.19 -0.27 0.00 -0.01 0.00 0.00 57.16 57.09 3f7u n GLU 236 Cb 0.10 -1.75 -0.02 0.00 -1.01 0.00 0.00 31.44 28.76 3f7u n GLU 236 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3f7u n GLN 237 N -2.12 -2.83 0.01 3.49 6.02 -0.32 -4.87 117.38 116.76 3f7u n GLN 237 Ca 0.06 0.37 0.11 0.00 -0.01 0.00 0.00 57.00 57.52 3f7u n GLN 237 Cb 0.40 -4.35 -0.13 0.00 1.02 0.00 0.00 30.24 27.18 3f7u n GLN 237 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3f7u n THR 238 N -4.42 0.09 -3.91 5.09 -2.24 -1.26 -4.84 114.28 102.80 3f7u n THR 238 Ca -0.30 -0.46 -0.28 0.00 -2.27 0.00 0.00 64.05 60.75 3f7u n THR 238 Cb 0.68 0.04 -0.17 0.00 -2.10 0.00 0.00 70.33 68.78 3f7u n THR 238 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3f7u s VAL 239 N -3.44 1.10 0.42 2.28 1.01 -1.26 -5.10 120.40 115.40 3f7u s VAL 239 Ca -0.05 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 3f7u s VAL 239 Cb 0.14 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.26 3f7u s VAL 239 CO 0.89 0.27 1.22 -0.44 0.00 0.00 0.00 175.10 177.03 3f7u s SER 240 N 1.66 6.33 -0.39 3.32 0.01 -1.26 -1.86 113.70 121.51 3f7u s SER 240 Ca 0.03 2.46 -0.29 0.00 1.31 0.00 0.00 55.95 59.46 3f7u s SER 240 Cb -0.14 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.48 3f7u s SER 240 CO -0.08 -0.82 1.32 -0.32 0.41 0.00 0.00 173.24 173.76 3f7u s MET 241 N -2.37 3.70 0.14 12.44 0.00 0.39 -4.63 119.30 128.97 3f7u s MET 241 Ca 0.59 0.96 -0.25 0.00 0.00 0.00 0.00 55.69 56.98 3f7u s MET 241 Cb -0.33 -3.96 0.07 0.00 0.00 0.00 0.00 34.83 30.61 3f7u s MET 241 CO 0.42 -1.40 1.02 -1.59 0.00 0.00 0.00 175.02 173.47 3f7u s LYS 242 N 4.61 1.11 -1.54 4.11 -2.85 -1.26 -3.87 119.74 120.05 3f7u s LYS 242 Ca 0.57 -0.63 -0.15 0.00 -1.00 0.00 0.00 55.97 54.76 3f7u s LYS 242 Cb -0.13 0.37 0.12 0.00 -2.06 0.00 0.00 37.83 36.12 3f7u s LYS 242 CO 0.29 -0.51 0.76 -0.25 0.10 0.00 0.00 175.35 175.74 3f7u n ASP 243 N -0.59 -3.86 -3.55 0.03 8.00 0.15 -4.84 116.55 111.90 3f7u n ASP 243 Ca -0.06 -0.77 -0.41 0.00 0.71 0.00 0.00 54.79 54.27 3f7u n ASP 243 Cb 0.61 -3.14 -0.01 0.00 -0.02 0.00 0.00 41.12 38.55 3f7u n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3f7u n ASN 244 N -2.59 6.90 -3.90 -2.24 6.94 -1.23 -4.67 115.26 114.47 3f7u n ASN 244 Ca 0.04 -2.89 -0.25 0.00 -0.02 0.00 0.00 54.58 51.47 3f7u n ASN 244 Cb 0.51 -1.51 -0.17 0.00 -2.36 0.00 0.00 39.78 36.25 3f7u n ASN 244 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3f7u s VAL 245 N 1.12 0.89 0.15 3.53 1.01 -1.26 -4.53 120.40 121.31 3f7u s VAL 245 Ca 0.55 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 3f7u s VAL 245 Cb 0.16 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 3f7u s VAL 245 CO -0.06 0.34 1.23 -0.60 0.00 0.00 0.00 175.10 176.00 3f7u s ARG 246 N 1.56 4.45 0.93 2.72 3.52 -1.26 -4.84 118.95 126.03 3f7u s ARG 246 Ca 0.01 1.89 -0.12 0.00 -0.13 0.00 0.00 55.73 57.38 3f7u s ARG 246 Cb -0.13 -3.26 0.09 0.00 -1.56 0.00 0.00 34.95 30.09 3f7u s ARG 246 CO -0.06 -0.17 0.79 -0.35 -0.81 0.00 0.00 175.30 174.70 3f7u n PRO 247 N 2.97 -0.34 -2.36 5.12 -0.04 -1.26 -4.77 135.00 134.32 3f7u n PRO 247 Ca 0.06 -0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 3f7u n PRO 247 Cb 0.45 -2.13 -0.03 0.00 -0.04 0.00 0.00 33.50 31.75 3f7u n PRO 247 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3f7u s LEU 248 N -3.86 4.49 0.36 1.53 1.43 -1.26 -4.51 118.68 116.85 3f7u s LEU 248 Ca 0.62 2.35 0.07 0.00 -1.03 0.00 0.00 54.13 56.15 3f7u s LEU 248 Cb -0.23 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 3f7u s LEU 248 CO 0.62 -0.32 0.36 -1.10 0.23 0.00 0.00 176.35 176.14 3f7u s GLN 249 N -1.03 2.74 0.12 1.70 -1.52 0.63 -4.99 119.66 117.31 3f7u s GLN 249 Ca 0.49 -1.31 -0.28 0.00 -1.95 0.00 0.00 55.36 52.31 3f7u s GLN 249 Cb -0.34 -2.52 -0.06 0.00 -0.22 0.00 0.00 33.01 29.86 3f7u s GLN 249 CO 0.42 -0.00 0.90 -0.65 -0.25 0.00 0.00 175.29 175.70 3f7u s GLN 250 N -4.08 4.66 0.29 2.91 -1.52 -1.26 -4.54 119.66 116.12 3f7u s GLN 250 Ca 0.44 1.34 0.02 0.00 -1.95 0.00 0.00 55.36 55.22 3f7u s GLN 250 Cb -0.06 -3.35 0.43 0.00 -0.22 0.00 0.00 33.01 29.81 3f7u s GLN 250 CO 0.28 0.30 1.75 1.25 -0.25 0.00 0.00 175.29 178.62 3f7u h LEU 251 N 5.31 0.52 0.00 2.90 5.85 -1.92 -3.43 115.31 124.55 3f7u h LEU 251 Ca -0.44 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3f7u h LEU 251 Cb 1.21 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3f7u h LEU 251 CO 0.71 0.72 0.00 0.61 -0.34 0.00 0.00 178.44 180.13 3f7u n GLY 252 N -0.49 3.10 0.45 3.75 0.00 -1.26 -2.91 105.19 107.83 3f7u n GLY 252 Ca 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.85 3f7u n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3f7u n GLN 253 N 14.00 1.60 -1.28 1.61 6.02 -1.26 -4.89 117.38 133.18 3f7u n GLN 253 Ca 0.00 -0.89 -0.31 0.00 -0.01 0.00 0.00 57.00 55.78 3f7u n GLN 253 Cb 0.00 -1.40 0.09 0.00 1.02 0.00 0.00 30.24 29.96 3f7u n GLN 253 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3f7u s ARG 254 N -1.85 2.22 0.15 -1.09 0.52 -1.14 -5.08 118.95 112.67 3f7u s ARG 254 Ca 0.33 1.24 0.11 0.00 -0.52 0.00 0.00 55.73 56.89 3f7u s ARG 254 Cb 0.17 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 3f7u s ARG 254 CO 0.27 -1.68 -0.25 0.95 0.02 0.00 0.00 175.30 174.61 3f7u s THR 255 N -2.79 2.22 -0.16 0.02 -4.23 -1.26 -5.01 115.64 104.43 3f7u s THR 255 Ca 0.63 -1.83 -0.07 0.00 -1.18 0.00 0.00 61.69 59.23 3f7u s THR 255 Cb -0.18 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 3f7u s THR 255 CO 0.54 -0.00 0.09 -0.69 -0.54 0.00 0.00 174.62 174.01 3f7u s VAL 256 N -1.30 5.02 0.46 2.29 1.01 -1.26 -4.69 120.40 121.93 3f7u s VAL 256 Ca 0.15 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.23 3f7u s VAL 256 Cb -0.09 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 3f7u s VAL 256 CO 0.07 0.51 0.22 0.27 0.00 0.00 0.00 175.10 176.17 3f7u s ILE 257 N -0.13 1.99 0.03 2.22 -4.36 -0.42 -3.11 121.20 117.42 3f7u s ILE 257 Ca 0.08 -1.67 -0.17 0.00 -0.26 0.00 0.00 60.65 58.63 3f7u s ILE 257 Cb -0.12 -2.66 0.03 0.00 1.25 0.00 0.00 42.46 40.96 3f7u s ILE 257 CO 0.01 0.00 0.38 -1.59 0.24 0.00 0.00 174.94 173.98 3f7u s LYS 258 N -4.01 0.86 0.00 0.37 -2.85 -0.91 -0.26 119.74 112.94 3f7u s LYS 258 Ca 0.34 -0.34 0.23 0.00 -1.00 0.00 0.00 55.97 55.21 3f7u s LYS 258 Cb 0.02 0.38 1.38 0.00 -2.06 0.00 0.00 37.83 37.55 3f7u s LYS 258 CO 0.20 -0.28 1.75 -1.13 0.10 0.00 0.00 175.35 175.98