#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fd6 s ASN 8 N 0.00 6.10 0.09 -2.13 3.84 -1.26 -5.01 114.94 116.58 3fd6 s ASN 8 Ca 0.00 -0.49 -0.30 0.00 0.21 0.00 0.00 52.86 52.28 3fd6 s ASN 8 Cb 0.00 -2.16 -0.12 0.00 -0.55 0.00 0.00 41.25 38.42 3fd6 s ASN 8 CO 0.00 -0.31 1.48 -0.65 -2.79 0.00 0.00 177.10 174.83 3fd6 h PRO 9 N 8.52 -0.58 0.00 0.43 0.11 -1.92 0.16 132.00 138.73 3fd6 h PRO 9 Ca -0.30 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3fd6 h PRO 9 Cb 1.15 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3fd6 h PRO 9 CO 0.67 -0.39 0.25 0.39 -0.21 0.00 0.00 178.00 178.72 3fd6 n GLU 10 N -5.06 0.08 0.12 1.05 1.02 -1.24 0.88 120.64 117.49 3fd6 n GLU 10 Ca -0.07 0.54 0.12 0.00 -0.02 0.00 0.00 57.16 57.73 3fd6 n GLU 10 Cb 0.35 -2.02 0.47 0.00 -0.02 0.00 0.00 31.44 30.22 3fd6 n GLU 10 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3fd6 n SER 11 N -1.97 0.63 -1.86 1.62 7.64 0.56 -3.32 113.62 116.92 3fd6 n SER 11 Ca -0.01 0.64 -0.20 0.00 1.01 0.00 0.00 58.87 60.32 3fd6 n SER 11 Cb 0.27 -0.78 0.04 0.00 -1.01 0.00 0.00 64.21 62.74 3fd6 n SER 11 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3fd6 n TYR 12 N -2.18 2.36 -0.98 1.43 4.01 0.25 -4.93 117.16 117.13 3fd6 n TYR 12 Ca 0.03 -2.12 -0.06 0.00 -0.16 0.00 0.00 57.90 55.58 3fd6 n TYR 12 Cb 0.25 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 38.93 3fd6 n TYR 12 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3fd6 n GLU 13 N -0.75 -1.64 -2.98 -0.72 0.28 -1.21 -4.91 120.64 108.71 3fd6 n GLU 13 Ca 0.40 0.52 -0.25 0.00 -0.16 0.00 0.00 57.16 57.66 3fd6 n GLU 13 Cb 0.93 -4.48 -0.00 0.00 1.43 0.00 0.00 31.44 29.32 3fd6 n GLU 13 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3fd6 s LEU 14 N -1.81 3.76 1.22 -1.84 1.02 -1.23 -5.03 118.68 114.77 3fd6 s LEU 14 Ca 0.00 0.62 -0.19 0.00 0.02 0.00 0.00 54.13 54.58 3fd6 s LEU 14 Cb 0.00 -3.52 0.29 0.00 0.02 0.00 0.00 46.19 42.98 3fd6 s LEU 14 CO 0.00 -0.51 1.09 -1.81 0.02 0.00 0.00 176.35 175.14 3fd6 s ASP 15 N -4.11 0.76 0.06 2.29 1.01 -1.26 -3.59 116.67 111.83 3fd6 s ASP 15 Ca 0.45 0.69 -0.04 0.00 0.71 0.00 0.00 52.55 54.36 3fd6 s ASP 15 Cb -0.10 -0.96 -0.28 0.00 1.01 0.00 0.00 42.92 42.58 3fd6 s ASP 15 CO 0.40 -4.22 1.07 0.07 0.21 0.00 0.00 175.17 172.70 3fd6 h LYS 16 N -2.65 0.26 -0.00 8.23 -0.00 -1.98 -3.35 116.57 117.08 3fd6 h LYS 16 Ca -0.45 -0.45 0.00 0.00 -0.00 0.00 0.00 60.65 59.75 3fd6 h LYS 16 Cb 1.30 0.17 0.00 0.00 -0.00 0.00 0.00 32.23 33.70 3fd6 h LYS 16 CO 0.35 1.19 -0.06 -1.13 -0.00 0.00 0.00 179.45 179.80 3fd6 n SER 17 N -3.51 0.38 -4.76 7.07 3.41 -1.26 -4.87 113.62 110.09 3fd6 n SER 17 Ca -0.10 -0.66 -0.41 0.00 -0.26 0.00 0.00 58.87 57.43 3fd6 n SER 17 Cb 1.03 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.87 3fd6 n SER 17 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3fd6 s PHE 18 N -2.36 2.97 -0.06 7.33 5.36 -1.26 -5.01 117.98 124.95 3fd6 s PHE 18 Ca 0.33 1.15 -0.03 0.00 -0.96 0.00 0.00 56.93 57.43 3fd6 s PHE 18 Cb 0.21 -3.81 0.04 0.00 -0.34 0.00 0.00 43.02 39.12 3fd6 s PHE 18 CO 0.44 -2.49 0.12 1.03 -1.46 0.00 0.00 175.22 172.86 3fd6 s ARG 19 N -1.02 -0.00 0.50 10.12 1.81 -1.26 -5.00 118.95 124.11 3fd6 s ARG 19 Ca 0.55 0.46 0.26 0.00 -1.72 0.00 0.00 55.73 55.28 3fd6 s ARG 19 Cb -0.42 -0.34 1.35 0.00 -0.45 0.00 0.00 34.95 35.09 3fd6 s ARG 19 CO 0.49 -0.29 1.92 1.25 -0.68 0.00 0.00 175.30 177.99 3fd6 h LEU 20 N 8.21 0.11 0.00 2.53 5.85 -1.87 0.36 115.31 130.50 3fd6 h LEU 20 Ca -0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3fd6 h LEU 20 Cb 1.12 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3fd6 h LEU 20 CO 0.19 0.05 0.00 0.35 -0.34 0.00 0.00 178.44 178.69 3fd6 n THR 21 N -4.37 0.19 0.27 1.05 -2.24 -1.26 -2.56 114.28 105.36 3fd6 n THR 21 Ca 0.15 0.05 0.14 0.00 -2.27 0.00 0.00 64.05 62.12 3fd6 n THR 21 Cb 0.76 -0.69 0.72 0.00 -2.10 0.00 0.00 70.33 69.02 3fd6 n THR 21 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3fd6 h ARG 22 N 0.00 0.00 -2.00 -0.78 2.43 -0.66 -3.34 114.38 110.03 3fd6 h ARG 22 Ca 0.00 0.00 -0.76 0.00 -0.81 0.00 0.00 59.98 58.41 3fd6 h ARG 22 Cb 0.11 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.38 3fd6 h ARG 22 CO 0.00 0.11 0.96 1.19 -1.51 0.00 0.00 179.97 180.72 3fd6 n PHE 23 N -3.47 2.99 -0.71 2.20 3.72 -1.06 -4.85 117.46 116.27 3fd6 n PHE 23 Ca -0.01 -2.40 0.00 0.00 -0.05 0.00 0.00 57.45 54.99 3fd6 n PHE 23 Cb 0.26 -1.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.67 3fd6 n PHE 23 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3fd6 n THR 24 N -0.48 0.00 -4.33 4.37 5.66 -1.25 -1.94 114.28 116.31 3fd6 n THR 24 Ca 0.52 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 61.24 3fd6 n THR 24 Cb 0.26 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.92 3fd6 n THR 24 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3fd6 s GLU 25 N -1.59 1.74 -0.20 1.09 0.41 -1.26 -5.05 118.70 113.84 3fd6 s GLU 25 Ca 0.00 -1.26 -0.16 0.00 -0.41 0.00 0.00 54.97 53.15 3fd6 s GLU 25 Cb 0.00 -2.06 -0.04 0.00 -1.78 0.00 0.00 34.13 30.25 3fd6 s GLU 25 CO 0.00 0.46 0.39 -1.17 -0.49 0.00 0.00 175.26 174.45 3fd6 s LEU 26 N -2.30 4.16 -0.06 1.80 2.96 -1.26 -5.02 118.68 118.97 3fd6 s LEU 26 Ca 0.19 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.65 3fd6 s LEU 26 Cb -0.10 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.09 3fd6 s LEU 26 CO 0.10 -0.06 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.35 3fd6 s LYS 27 N 1.22 2.10 0.54 1.98 1.02 -1.26 -5.02 119.74 120.32 3fd6 s LYS 27 Ca 0.19 -0.66 0.24 0.00 0.02 0.00 0.00 55.97 55.75 3fd6 s LYS 27 Cb -0.15 -1.75 1.42 0.00 -0.52 0.00 0.00 37.83 36.84 3fd6 s LYS 27 CO 0.08 0.21 2.05 0.78 -0.92 0.00 0.00 175.35 177.55 3fd6 h GLY 28 N 6.44 0.00 -1.53 -3.33 0.00 -1.99 -2.24 103.07 100.42 3fd6 h GLY 28 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3fd6 h GLY 28 CO 0.47 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.71 3fd6 n THR 29 N -4.29 0.52 0.00 4.70 -2.24 -1.25 -4.50 114.28 107.23 3fd6 n THR 29 Ca 0.05 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3fd6 n THR 29 Cb 0.43 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3fd6 n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fd6 n GLY 30 N 0.90 -0.13 0.00 3.38 0.00 -0.84 -4.73 105.19 103.77 3fd6 n GLY 30 Ca 0.13 -1.88 0.09 0.00 0.00 0.00 0.00 46.02 44.36 3fd6 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fd6 s LYS 32 N -2.97 3.23 0.30 0.00 1.02 -1.26 -4.99 119.74 115.07 3fd6 s LYS 32 Ca 0.03 1.59 -0.29 0.00 0.02 0.00 0.00 55.97 57.32 3fd6 s LYS 32 Cb 0.14 -1.99 -0.11 0.00 -0.52 0.00 0.00 37.83 35.35 3fd6 s LYS 32 CO 0.79 -0.95 1.46 0.08 -0.92 0.00 0.00 175.35 175.81 3fd6 s VAL 33 N -1.85 2.43 0.78 3.17 1.01 -1.26 -4.96 120.40 119.71 3fd6 s VAL 33 Ca 0.72 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.94 3fd6 s VAL 33 Cb -0.24 -3.24 0.07 0.00 0.00 0.00 0.00 36.38 32.96 3fd6 s VAL 33 CO 0.30 0.07 1.22 -2.84 0.00 0.00 0.00 175.10 173.85 3fd6 s PRO 34 N -0.97 1.79 0.22 2.72 0.02 -1.26 -4.76 135.00 132.75 3fd6 s PRO 34 Ca 0.57 1.81 -0.09 0.00 0.02 0.00 0.00 61.00 63.31 3fd6 s PRO 34 Cb -0.44 -1.79 0.21 0.00 0.02 0.00 0.00 34.50 32.51 3fd6 s PRO 34 CO 0.50 -2.11 1.88 0.37 -0.33 0.00 0.00 177.00 177.31 3fd6 h GLN 35 N -0.66 1.04 -0.14 5.54 4.15 -2.00 -1.91 115.11 121.12 3fd6 h GLN 35 Ca -0.47 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 58.68 3fd6 h GLN 35 Cb 1.30 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.76 3fd6 h GLN 35 CO 0.47 0.69 -0.73 0.38 -1.93 0.00 0.00 178.83 177.71 3fd6 h ASP 36 N 1.07 0.76 -0.18 -0.69 2.03 -2.00 -2.71 116.42 114.71 3fd6 h ASP 36 Ca 0.31 -0.49 -0.02 0.00 -0.73 0.00 0.00 57.03 56.11 3fd6 h ASP 36 Cb -0.06 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.21 3fd6 h ASP 36 CO -0.09 1.26 0.05 0.58 -1.03 0.00 0.00 179.24 180.01 3fd6 h VAL 37 N 0.45 1.19 -0.23 4.15 2.07 -1.85 -2.37 116.25 119.67 3fd6 h VAL 37 Ca -0.04 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3fd6 h VAL 37 Cb 1.33 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 3fd6 h VAL 37 CO 0.14 0.19 0.10 0.25 0.02 0.00 0.00 177.57 178.26 3fd6 h LEU 38 N 0.11 0.13 -1.39 2.57 5.85 -1.41 0.13 115.31 121.29 3fd6 h LEU 38 Ca 0.06 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.91 3fd6 h LEU 38 Cb 0.24 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3fd6 h LEU 38 CO -0.00 0.11 0.52 -0.61 -0.34 0.00 0.00 178.44 178.12 3fd6 h GLN 39 N 0.21 0.62 0.51 1.25 4.15 -1.47 0.56 115.11 120.94 3fd6 h GLN 39 Ca 0.09 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3fd6 h GLN 39 Cb 0.04 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3fd6 h GLN 39 CO -0.08 0.41 -0.24 -0.22 -1.93 0.00 0.00 178.83 176.77 3fd6 h LYS 40 N 0.64 -0.66 -0.99 1.69 1.63 -0.76 -3.28 116.57 114.84 3fd6 h LYS 40 Ca 0.38 0.04 0.13 0.00 -0.85 0.00 0.00 60.65 60.36 3fd6 h LYS 40 Cb 0.61 0.15 -0.08 0.00 -0.60 0.00 0.00 32.23 32.30 3fd6 h LYS 40 CO -0.15 -0.44 0.62 -0.07 -3.45 0.00 0.00 179.45 175.96 3fd6 h LEU 41 N -0.89 0.88 -3.65 5.20 3.38 -0.32 -1.65 115.31 118.27 3fd6 h LEU 41 Ca -0.07 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3fd6 h LEU 41 Cb 0.52 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3fd6 h LEU 41 CO 0.11 0.46 -0.12 0.18 0.09 0.00 0.00 178.44 179.16 3fd6 n LEU 42 N -4.62 4.46 -0.09 1.67 4.77 0.19 -4.10 117.00 119.29 3fd6 n LEU 42 Ca 0.19 -2.39 -0.21 0.00 -0.03 0.00 0.00 56.01 53.57 3fd6 n LEU 42 Cb 0.38 -1.07 -0.12 0.00 -2.33 0.00 0.00 43.42 40.28 3fd6 n LEU 42 CO 0.27 1.10 -1.15 -0.62 -1.33 0.00 0.00 177.39 175.66 3fd6 n GLU 43 N 2.07 0.67 0.25 3.23 1.02 -0.62 -4.26 120.64 123.00 3fd6 n GLU 43 Ca 0.18 0.23 0.15 0.00 -0.02 0.00 0.00 57.16 57.70 3fd6 n GLU 43 Cb 0.60 -1.59 0.86 0.00 -0.02 0.00 0.00 31.44 31.28 3fd6 n GLU 43 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3fd6 h SER 44 N -0.19 0.00 -4.01 1.62 4.64 -1.84 -3.53 113.55 110.25 3fd6 h SER 44 Ca -0.54 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.34 3fd6 h SER 44 Cb 1.86 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 64.11 3fd6 h SER 44 CO -0.09 0.00 0.41 -0.76 -0.87 0.00 0.00 176.83 175.52 3fd6 s LEU 45 N -7.79 2.64 0.00 5.97 1.43 -1.26 -5.28 118.68 114.39 3fd6 s LEU 45 Ca -0.05 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3fd6 s LEU 45 Cb 0.15 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 44.06 3fd6 s LEU 45 CO 0.56 -2.78 0.00 0.23 0.23 0.00 0.00 176.35 174.59 3fd6 n MET 61 N -3.80 0.00 -1.93 1.70 2.00 -1.26 -5.06 117.12 108.77 3fd6 n MET 61 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.48 3fd6 n MET 61 Cb 0.59 -0.32 0.04 0.00 0.00 0.00 0.00 33.22 33.53 3fd6 n MET 61 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3fd6 s PRO 62 N -0.16 3.00 -0.00 0.03 0.02 -1.26 -4.97 135.00 131.65 3fd6 s PRO 62 Ca 0.00 1.97 -0.06 0.00 0.02 0.00 0.00 61.00 62.92 3fd6 s PRO 62 Cb 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.49 3fd6 s PRO 62 CO 0.00 -1.22 0.12 -0.98 -0.33 0.00 0.00 177.00 174.59 3fd6 s ARG 63 N -3.18 0.41 -0.09 5.54 1.70 -1.26 -4.50 118.95 117.58 3fd6 s ARG 63 Ca 0.76 -0.32 -0.03 0.00 -0.47 0.00 0.00 55.73 55.67 3fd6 s ARG 63 Cb -0.34 0.17 0.04 0.00 -0.57 0.00 0.00 34.95 34.25 3fd6 s ARG 63 CO 0.38 -0.09 0.05 -1.17 -1.08 0.00 0.00 175.30 173.39 3fd6 s LEU 64 N -1.15 0.37 0.00 -1.89 2.96 -0.48 -4.93 118.68 113.55 3fd6 s LEU 64 Ca -0.12 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3fd6 s LEU 64 Cb -0.07 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.36 3fd6 s LEU 64 CO 0.01 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 3fd6 n GLY 65 N 5.24 0.43 3.60 7.98 0.00 -1.26 -2.08 105.19 119.10 3fd6 n GLY 65 Ca -0.05 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 3fd6 n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fd6 n ILE 66 N 0.00 3.35 0.00 -0.61 5.41 -1.26 -4.22 119.36 122.03 3fd6 n ILE 66 Ca 0.00 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.29 3fd6 n ILE 66 Cb 0.00 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 3fd6 n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fd6 n GLY 67 N 1.29 2.13 0.00 7.39 0.00 -1.26 -5.09 105.19 109.65 3fd6 n GLY 67 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3fd6 n GLY 67 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fd6 n MET 68 N 0.00 3.79 0.03 1.61 2.81 -1.26 -5.00 117.12 119.09 3fd6 n MET 68 Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 3fd6 n MET 68 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.43 3fd6 n MET 68 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3fd6 n ASP 69 N 0.00 0.76 -4.14 7.83 8.00 -1.26 -4.88 116.55 122.86 3fd6 n ASP 69 Ca 0.00 0.33 -0.11 0.00 0.71 0.00 0.00 54.79 55.72 3fd6 n ASP 69 Cb 0.00 0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 41.36 3fd6 n ASP 69 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fd6 s THR 70 N -2.98 0.02 0.35 -3.53 -4.23 -1.26 -4.64 115.64 99.36 3fd6 s THR 70 Ca -0.03 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.62 3fd6 s THR 70 Cb 0.09 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 3fd6 s THR 70 CO 0.82 -0.09 0.59 0.00 -0.54 0.00 0.00 174.62 175.40 3fd6 s VAL 72 N -2.29 0.60 -0.33 0.00 1.01 -0.88 -3.45 120.40 115.06 3fd6 s VAL 72 Ca 0.43 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3fd6 s VAL 72 Cb -0.10 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.23 3fd6 s VAL 72 CO 0.35 -0.25 0.04 -0.63 0.00 0.00 0.00 175.10 174.60 3fd6 s ILE 73 N 1.82 2.73 0.42 2.22 -1.09 -0.62 -1.39 121.20 125.29 3fd6 s ILE 73 Ca -0.00 -1.83 -0.26 0.00 -2.23 0.00 0.00 60.65 56.33 3fd6 s ILE 73 Cb -0.17 -2.75 -0.10 0.00 -1.58 0.00 0.00 42.46 37.86 3fd6 s ILE 73 CO -0.10 -0.35 1.33 -2.65 -1.23 0.00 0.00 174.94 171.94 3fd6 n PRO 74 N 4.49 2.06 -3.03 2.79 -0.02 -1.26 -1.57 135.00 138.45 3fd6 n PRO 74 Ca -0.07 0.73 -0.18 0.00 -2.02 0.00 0.00 63.50 61.97 3fd6 n PRO 74 Cb 0.42 -2.46 0.02 0.00 -0.02 0.00 0.00 33.50 31.46 3fd6 n PRO 74 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fd6 s LEU 75 N -1.95 3.56 0.11 2.45 2.01 0.13 -4.87 118.68 120.12 3fd6 s LEU 75 Ca 0.60 -0.50 -0.10 0.00 0.01 0.00 0.00 54.13 54.14 3fd6 s LEU 75 Cb -0.49 -2.48 -0.15 0.00 0.01 0.00 0.00 46.19 43.08 3fd6 s LEU 75 CO 0.58 -0.85 1.28 0.08 1.01 0.00 0.00 176.35 178.46 3fd6 h ARG 76 N 0.58 0.65 -5.88 1.70 0.11 -1.94 -3.42 114.38 106.18 3fd6 h ARG 76 Ca -0.38 -0.62 -0.57 0.00 0.10 0.00 0.00 59.98 58.51 3fd6 h ARG 76 Cb 1.28 0.15 -0.07 0.00 1.11 0.00 0.00 29.97 32.45 3fd6 h ARG 76 CO 0.45 1.22 0.02 -1.01 0.10 0.00 0.00 179.97 180.75 3fd6 s HIS 77 N -3.50 3.53 0.00 4.08 3.76 -1.26 -4.50 115.29 117.40 3fd6 s HIS 77 Ca -0.09 1.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 3fd6 s HIS 77 Cb 0.08 -2.72 0.00 0.00 1.11 0.00 0.00 32.58 31.05 3fd6 s HIS 77 CO 0.90 0.07 0.00 0.41 -0.85 0.00 0.00 174.74 175.27 3fd6 n GLY 78 N 3.26 0.25 2.37 -2.22 0.00 -1.26 -1.99 105.19 105.61 3fd6 n GLY 78 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 3fd6 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fd6 n GLY 79 N -0.96 -0.28 3.90 -0.02 0.00 -1.26 -5.00 105.19 101.57 3fd6 n GLY 79 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 3fd6 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fd6 s LEU 80 N -5.41 3.97 -0.06 0.99 1.43 -0.84 -4.56 118.68 114.20 3fd6 s LEU 80 Ca 0.00 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 53.93 3fd6 s LEU 80 Cb 0.00 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 3fd6 s LEU 80 CO 0.00 -0.28 -0.18 -0.44 0.23 0.00 0.00 176.35 175.67 3fd6 s SER 81 N -3.36 2.35 -0.22 2.29 0.01 -0.68 0.17 113.70 114.26 3fd6 s SER 81 Ca 0.45 -0.39 -0.23 0.00 1.31 0.00 0.00 55.95 57.09 3fd6 s SER 81 Cb -0.10 -0.78 -0.02 0.00 0.21 0.00 0.00 66.02 65.33 3fd6 s SER 81 CO 0.32 0.15 0.73 -0.22 0.41 0.00 0.00 173.24 174.63 3fd6 s LEU 82 N 0.15 4.11 -0.22 2.44 2.96 -0.61 -0.71 118.68 126.80 3fd6 s LEU 82 Ca -0.08 0.94 -0.02 0.00 -0.22 0.00 0.00 54.13 54.75 3fd6 s LEU 82 Cb -0.13 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.52 3fd6 s LEU 82 CO 0.04 -0.40 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.90 3fd6 s VAL 83 N 2.38 2.96 0.24 1.68 1.01 0.22 -1.59 120.40 127.30 3fd6 s VAL 83 Ca 0.32 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3fd6 s VAL 83 Cb -0.16 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3fd6 s VAL 83 CO 0.09 0.39 0.33 0.00 0.00 0.00 0.00 175.10 175.92 3fd6 s GLN 84 N 1.40 1.45 -0.14 2.72 -2.07 -1.22 -0.99 119.66 120.80 3fd6 s GLN 84 Ca 0.04 -1.48 -0.30 0.00 -1.82 0.00 0.00 55.36 51.80 3fd6 s GLN 84 Cb -0.15 0.38 0.12 0.00 -1.09 0.00 0.00 33.01 32.27 3fd6 s GLN 84 CO -0.06 -0.56 0.94 -0.08 -1.32 0.00 0.00 175.29 174.22 3fd6 s THR 85 N -3.96 0.00 0.09 3.63 -1.32 -1.03 -2.47 115.64 110.57 3fd6 s THR 85 Ca 0.30 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.82 3fd6 s THR 85 Cb 0.03 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 3fd6 s THR 85 CO 0.12 0.00 -0.10 0.28 -2.21 0.00 0.00 174.62 172.71 3fd6 s THR 86 N -1.08 0.88 -0.01 5.08 -1.32 -1.26 -2.05 115.64 115.88 3fd6 s THR 86 Ca -0.03 -1.55 -0.16 0.00 -1.21 0.00 0.00 61.69 58.74 3fd6 s THR 86 Cb -0.00 -1.24 0.03 0.00 -1.51 0.00 0.00 72.50 69.77 3fd6 s THR 86 CO 0.03 -0.53 0.33 -0.62 -2.21 0.00 0.00 174.62 171.63 3fd6 s ASP 87 N -2.30 -0.21 -0.01 8.08 2.15 -0.81 -5.00 116.67 118.56 3fd6 s ASP 87 Ca 0.03 0.09 -0.22 0.00 0.43 0.00 0.00 52.55 52.88 3fd6 s ASP 87 Cb -0.04 0.33 0.04 0.00 -0.30 0.00 0.00 42.92 42.96 3fd6 s ASP 87 CO -0.00 -0.48 0.47 -0.72 -0.17 0.00 0.00 175.17 174.27 3fd6 s TYR 88 N -1.50 -0.38 0.33 -5.34 -0.85 -1.26 -1.12 117.35 107.23 3fd6 s TYR 88 Ca -0.12 0.58 0.01 0.00 -0.52 0.00 0.00 57.07 57.02 3fd6 s TYR 88 Cb -0.04 0.24 -0.00 0.00 0.38 0.00 0.00 41.96 42.54 3fd6 s TYR 88 CO 0.04 -0.51 0.41 0.44 -1.52 0.00 0.00 175.55 174.40 3fd6 n ILE 89 N 0.98 0.00 -4.45 -3.49 -5.35 0.48 -4.99 119.36 102.54 3fd6 n ILE 89 Ca -0.20 -1.85 -0.27 0.00 -0.27 0.00 0.00 62.75 60.17 3fd6 n ILE 89 Cb 0.57 1.06 -0.10 0.00 -1.74 0.00 0.00 39.64 39.44 3fd6 n ILE 89 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3fd6 s TYR 90 N -3.10 2.54 0.19 4.28 2.02 -1.26 -0.98 117.35 121.05 3fd6 s TYR 90 Ca 0.30 -0.63 -0.33 0.00 -0.37 0.00 0.00 57.07 56.05 3fd6 s TYR 90 Cb -0.00 -1.81 -0.13 0.00 -0.40 0.00 0.00 41.96 39.62 3fd6 s TYR 90 CO 0.22 0.37 1.66 -2.30 -1.57 0.00 0.00 175.55 173.92 3fd6 n PRO 91 N -1.05 2.49 0.00 -1.71 -0.02 -1.26 -4.89 135.00 128.57 3fd6 n PRO 91 Ca -0.04 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3fd6 n PRO 91 Cb 0.66 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3fd6 n PRO 91 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3fd6 n ILE 92 N 3.69 0.00 -4.48 4.25 -5.35 -1.26 -4.80 119.36 111.41 3fd6 n ILE 92 Ca 0.16 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.40 3fd6 n ILE 92 Cb 0.32 0.38 -0.10 0.00 -1.74 0.00 0.00 39.64 38.50 3fd6 n ILE 92 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3fd6 s VAL 93 N -1.87 2.41 -1.06 7.28 -7.23 -1.26 -4.83 120.40 113.84 3fd6 s VAL 93 Ca 0.00 -2.37 0.14 0.00 -1.81 0.00 0.00 61.98 57.94 3fd6 s VAL 93 Cb 0.00 -2.34 0.59 0.00 0.56 0.00 0.00 36.38 35.19 3fd6 s VAL 93 CO 0.00 -0.38 1.46 0.47 -0.31 0.00 0.00 175.10 176.34 3fd6 n ASP 94 N -0.64 4.07 -4.07 4.85 8.00 -1.26 -4.59 116.55 122.92 3fd6 n ASP 94 Ca -0.05 -2.43 -0.35 0.00 0.71 0.00 0.00 54.79 52.67 3fd6 n ASP 94 Cb 0.61 -0.54 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 3fd6 n ASP 94 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fd6 s ASP 95 N -0.77 5.02 0.31 -2.24 2.15 -1.26 -4.55 116.67 115.34 3fd6 s ASP 95 Ca 0.41 -2.57 0.08 0.00 0.43 0.00 0.00 52.55 50.90 3fd6 s ASP 95 Cb 0.28 -1.78 0.79 0.00 -0.30 0.00 0.00 42.92 41.91 3fd6 s ASP 95 CO 0.18 -0.40 1.77 -0.65 -0.17 0.00 0.00 175.17 175.91 3fd6 h PRO 96 N 7.29 0.69 0.48 4.34 0.11 -1.93 -0.95 132.00 142.03 3fd6 h PRO 96 Ca -0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 3fd6 h PRO 96 Cb 0.98 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3fd6 h PRO 96 CO 0.68 0.45 -0.23 -0.92 -0.21 0.00 0.00 178.00 177.78 3fd6 h TYR 97 N 0.71 -0.60 -0.97 0.65 3.20 -1.92 -2.92 116.97 115.13 3fd6 h TYR 97 Ca 0.58 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.49 3fd6 h TYR 97 Cb 0.98 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.39 3fd6 h TYR 97 CO -0.00 -0.36 0.63 0.52 -1.64 0.00 0.00 178.16 177.31 3fd6 h MET 98 N -0.66 1.15 -0.34 1.82 2.86 -1.55 -2.52 114.93 115.69 3fd6 h MET 98 Ca -0.07 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3fd6 h MET 98 Cb 0.50 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3fd6 h MET 98 CO 0.11 0.76 0.21 1.98 1.06 0.00 0.00 176.91 181.03 3fd6 h MET 99 N 1.19 0.45 -0.01 1.72 1.85 -1.23 0.26 114.93 119.16 3fd6 h MET 99 Ca 0.39 -0.03 -0.21 0.00 -0.61 0.00 0.00 59.70 59.24 3fd6 h MET 99 Cb 0.06 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 31.99 3fd6 h MET 99 CO -0.13 0.31 -0.89 0.78 -0.40 0.00 0.00 176.91 176.58 3fd6 h GLY 100 N 0.49 0.37 0.74 1.39 0.00 -1.27 0.14 103.07 104.93 3fd6 h GLY 100 Ca 0.12 -0.64 0.02 0.00 0.00 0.00 0.00 47.33 46.84 3fd6 h GLY 100 CO -0.02 0.56 -0.09 3.21 0.00 0.00 0.00 176.54 180.19 3fd6 h ARG 101 N 0.19 -0.15 -0.63 4.80 2.47 -1.01 -0.87 114.38 119.19 3fd6 h ARG 101 Ca -0.06 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3fd6 h ARG 101 Cb 1.52 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.84 3fd6 h ARG 101 CO 0.15 -0.10 0.38 0.82 0.56 0.00 0.00 179.97 181.78 3fd6 h ILE 102 N -0.15 1.18 0.01 2.04 2.04 -0.44 -0.71 117.51 121.48 3fd6 h ILE 102 Ca 0.04 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.54 3fd6 h ILE 102 Cb 0.21 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 3fd6 h ILE 102 CO -0.11 0.19 -0.30 0.00 0.00 0.00 0.00 178.15 177.93 3fd6 h ALA 103 N 1.20 -0.44 -0.55 1.87 0.00 -0.53 -0.36 119.26 120.44 3fd6 h ALA 103 Ca 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3fd6 h ALA 103 Cb -0.03 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3fd6 h ALA 103 CO -0.04 -0.82 0.23 0.00 0.00 0.00 0.00 179.25 178.62 3fd6 h ALA 105 N 1.47 0.71 -0.48 0.00 0.00 -0.89 -2.73 119.26 117.34 3fd6 h ALA 105 Ca 0.19 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fd6 h ALA 105 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fd6 h ALA 105 CO -0.02 0.54 0.29 -0.97 0.00 0.00 0.00 179.25 179.09 3fd6 h ASN 106 N 0.81 0.59 0.01 0.00 -1.24 -0.49 -1.62 115.58 113.63 3fd6 h ASN 106 Ca 0.15 -0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.12 3fd6 h ASN 106 Cb 0.56 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.42 3fd6 h ASN 106 CO 0.03 0.48 -0.20 0.58 -1.29 0.00 0.00 177.43 177.03 3fd6 h VAL 107 N 0.64 0.52 0.00 2.57 2.07 -1.39 -3.01 116.25 117.65 3fd6 h VAL 107 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 3fd6 h VAL 107 Cb 0.01 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3fd6 h VAL 107 CO -0.03 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.46 3fd6 h LEU 108 N -0.33 0.00 -0.83 2.57 3.38 -1.26 -3.07 115.31 115.76 3fd6 h LEU 108 Ca 0.06 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.15 3fd6 h LEU 108 Cb 0.41 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 3fd6 h LEU 108 CO -0.18 0.03 0.44 -1.28 0.09 0.00 0.00 178.44 177.53 3fd6 h SER 109 N 0.00 0.56 -0.85 -0.43 0.87 -1.15 -2.52 113.55 110.03 3fd6 h SER 109 Ca -0.00 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3fd6 h SER 109 Cb 0.54 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 3fd6 h SER 109 CO 0.00 0.27 0.48 0.44 -0.53 0.00 0.00 176.83 177.50 3fd6 h ASP 110 N 0.67 1.04 -0.62 6.23 3.32 -1.68 -1.76 116.42 123.61 3fd6 h ASP 110 Ca 0.43 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.47 3fd6 h ASP 110 Cb 0.54 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 3fd6 h ASP 110 CO -0.32 0.82 0.30 -0.07 -1.72 0.00 0.00 179.24 178.25 3fd6 h LEU 111 N 1.17 0.40 -0.80 1.55 3.38 -1.65 -3.17 115.31 116.18 3fd6 h LEU 111 Ca 0.30 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.19 3fd6 h LEU 111 Cb -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3fd6 h LEU 111 CO -0.05 0.25 -0.57 1.88 0.09 0.00 0.00 178.44 180.03 3fd6 h TYR 112 N 0.54 0.09 0.00 1.13 0.05 -1.00 -1.33 116.97 116.46 3fd6 h TYR 112 Ca 0.29 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.04 3fd6 h TYR 112 Cb 0.27 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3fd6 h TYR 112 CO -0.11 0.63 0.00 0.00 -1.05 0.00 0.00 178.16 177.62 3fd6 h ALA 113 N 1.36 1.00 0.00 3.88 0.00 -1.34 0.21 119.26 124.37 3fd6 h ALA 113 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fd6 h ALA 113 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3fd6 h ALA 113 CO 0.08 0.00 -0.76 -1.33 0.00 0.00 0.00 179.25 177.23 3fd6 n MET 114 N -2.91 0.20 -0.18 0.00 2.81 -0.52 -4.33 117.12 112.19 3fd6 n MET 114 Ca -0.02 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3fd6 n MET 114 Cb 0.11 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 3fd6 n MET 114 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fd6 n GLY 115 N 1.40 0.62 3.61 3.03 0.00 0.73 -1.10 105.19 113.48 3fd6 n GLY 115 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3fd6 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fd6 s VAL 116 N -2.32 4.19 -0.57 1.61 1.01 -1.10 -4.44 120.40 118.78 3fd6 s VAL 116 Ca 0.00 1.25 0.24 0.00 0.00 0.00 0.00 61.98 63.47 3fd6 s VAL 116 Cb 0.00 -4.50 0.22 0.00 0.00 0.00 0.00 36.38 32.10 3fd6 s VAL 116 CO 0.00 -0.88 1.55 0.71 0.00 0.00 0.00 175.10 176.48 3fd6 h THR 117 N 6.19 0.00 -3.81 3.92 1.35 -1.88 -3.38 112.91 115.30 3fd6 h THR 117 Ca -0.23 -0.69 -0.68 0.00 -0.55 0.00 0.00 66.41 64.25 3fd6 h THR 117 Cb 1.07 1.55 -0.23 0.00 -1.73 0.00 0.00 68.15 68.81 3fd6 h THR 117 CO 1.11 0.00 -0.75 -1.61 -0.25 0.00 0.00 175.52 174.02 3fd6 s GLU 118 N -3.18 2.74 -0.25 4.72 0.41 -1.26 -4.97 118.70 116.91 3fd6 s GLU 118 Ca 0.07 -0.65 -0.05 0.00 -0.41 0.00 0.00 54.97 53.94 3fd6 s GLU 118 Cb 0.10 -2.49 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 3fd6 s GLU 118 CO 0.67 0.56 0.00 0.00 -0.49 0.00 0.00 175.26 176.00 3fd6 h ASP 120 N 8.14 0.39 -4.66 0.00 3.32 -1.65 -3.41 116.42 118.55 3fd6 h ASP 120 Ca -0.36 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.47 3fd6 h ASP 120 Cb 1.14 -0.11 -0.20 0.00 0.22 0.00 0.00 39.33 40.37 3fd6 h ASP 120 CO 0.59 0.84 0.29 0.21 -1.72 0.00 0.00 179.24 179.46 3fd6 s ASN 121 N -6.89 -0.58 0.03 6.45 2.47 -0.35 -4.81 114.94 111.25 3fd6 s ASN 121 Ca -0.05 0.67 0.06 0.00 0.42 0.00 0.00 52.86 53.96 3fd6 s ASN 121 Cb 0.12 0.53 -0.02 0.00 -1.45 0.00 0.00 41.25 40.43 3fd6 s ASN 121 CO 0.81 -0.51 -0.18 -0.04 -3.72 0.00 0.00 177.10 173.46 3fd6 s MET 122 N -1.05 1.24 0.06 0.43 -1.94 -0.98 -0.56 119.30 116.50 3fd6 s MET 122 Ca -0.08 -0.82 0.09 0.00 -1.71 0.00 0.00 55.69 53.18 3fd6 s MET 122 Cb -0.00 -1.29 -0.03 0.00 2.01 0.00 0.00 34.83 35.51 3fd6 s MET 122 CO 0.07 0.33 -0.26 -0.51 -0.01 0.00 0.00 175.02 174.64 3fd6 s LEU 123 N -1.02 2.23 -0.15 -0.03 1.43 -0.39 -1.70 118.68 119.06 3fd6 s LEU 123 Ca 0.05 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3fd6 s LEU 123 Cb -0.08 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3fd6 s LEU 123 CO 0.01 0.24 -0.10 -0.32 0.23 0.00 0.00 176.35 176.41 3fd6 s MET 124 N -1.42 3.44 -0.18 1.70 1.75 -0.25 -0.07 119.30 124.27 3fd6 s MET 124 Ca 0.12 -0.64 -0.13 0.00 -1.25 0.00 0.00 55.69 53.79 3fd6 s MET 124 Cb -0.10 -2.74 -0.05 0.00 2.84 0.00 0.00 34.83 34.78 3fd6 s MET 124 CO 0.03 0.16 0.27 -0.51 -0.65 0.00 0.00 175.02 174.32 3fd6 s LEU 125 N 0.51 4.22 0.06 4.11 1.43 -0.32 -1.98 118.68 126.71 3fd6 s LEU 125 Ca -0.07 0.44 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 3fd6 s LEU 125 Cb -0.15 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 3fd6 s LEU 125 CO 0.04 0.09 -0.15 -0.76 0.23 0.00 0.00 176.35 175.79 3fd6 s LEU 126 N 0.59 2.23 -0.15 1.79 1.43 -0.43 -1.47 118.68 122.67 3fd6 s LEU 126 Ca 0.15 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3fd6 s LEU 126 Cb -0.13 -0.60 0.04 0.00 0.03 0.00 0.00 46.19 45.53 3fd6 s LEU 126 CO 0.03 -0.01 -0.03 -0.83 0.23 0.00 0.00 176.35 175.74 3fd6 s GLY 127 N -1.47 0.84 -0.19 -3.19 0.00 -0.04 -2.69 107.32 100.58 3fd6 s GLY 127 Ca 0.01 -0.70 -0.20 0.00 0.00 0.00 0.00 44.72 43.83 3fd6 s GLY 127 CO 0.02 1.04 0.58 0.14 0.00 0.00 0.00 173.10 174.88 3fd6 s VAL 128 N 1.72 5.06 0.21 1.40 1.01 0.06 -1.21 120.40 128.65 3fd6 s VAL 128 Ca 0.01 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 3fd6 s VAL 128 Cb -0.15 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 3fd6 s VAL 128 CO -0.07 0.15 1.40 -0.55 0.00 0.00 0.00 175.10 176.03 3fd6 s SER 129 N 1.15 6.75 0.00 3.32 0.15 -1.24 -1.64 113.70 122.19 3fd6 s SER 129 Ca 0.27 2.54 0.21 0.00 0.70 0.00 0.00 55.95 59.67 3fd6 s SER 129 Cb -0.16 -2.61 1.17 0.00 -1.71 0.00 0.00 66.02 62.71 3fd6 s SER 129 CO 0.10 -0.64 1.67 -0.46 1.20 0.00 0.00 173.24 175.11 3fd6 n ASN 130 N 2.68 0.00 0.00 5.45 0.23 0.29 -2.80 115.26 121.11 3fd6 n ASN 130 Ca 0.07 -0.33 0.11 0.00 -0.53 0.00 0.00 54.58 53.90 3fd6 n ASN 130 Cb 0.41 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 37.93 3fd6 n ASN 130 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3fd6 n LYS 131 N -1.15 0.04 -3.29 -3.83 4.76 -1.26 -4.95 118.16 108.47 3fd6 n LYS 131 Ca 0.13 -0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 55.18 3fd6 n LYS 131 Cb 0.12 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 31.75 3fd6 n LYS 131 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fd6 s MET 132 N -3.03 4.19 0.99 1.97 0.23 -1.12 -5.04 119.30 117.49 3fd6 s MET 132 Ca 0.08 0.67 -0.13 0.00 -1.03 0.00 0.00 55.69 55.28 3fd6 s MET 132 Cb 0.16 -3.27 0.07 0.00 -1.53 0.00 0.00 34.83 30.26 3fd6 s MET 132 CO 0.83 0.56 0.44 0.25 -2.03 0.00 0.00 175.02 175.07 3fd6 n THR 133 N 2.07 0.00 -0.05 3.16 -2.24 -1.26 -4.77 114.28 111.19 3fd6 n THR 133 Ca -0.10 -0.20 -0.06 0.00 -2.27 0.00 0.00 64.05 61.42 3fd6 n THR 133 Cb 0.51 -0.67 0.12 0.00 -2.10 0.00 0.00 70.33 68.19 3fd6 n THR 133 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fd6 h ASP 134 N -1.74 0.67 -0.56 3.42 5.19 -1.98 -1.93 116.42 119.49 3fd6 h ASP 134 Ca -0.46 -0.24 -0.06 0.00 -0.62 0.00 0.00 57.03 55.65 3fd6 h ASP 134 Cb 1.30 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.59 3fd6 h ASP 134 CO 0.36 0.90 0.15 -0.09 -3.12 0.00 0.00 179.24 177.45 3fd6 h ARG 135 N 0.58 0.94 -0.32 3.56 2.43 -1.99 -0.59 114.38 118.99 3fd6 h ARG 135 Ca 0.08 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 3fd6 h ARG 135 Cb 0.73 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3fd6 h ARG 135 CO 0.06 0.83 0.07 0.93 -1.51 0.00 0.00 179.97 180.35 3fd6 h GLU 136 N 0.90 0.51 -0.71 0.20 5.08 -1.87 -2.27 114.58 116.42 3fd6 h GLU 136 Ca 0.19 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3fd6 h GLU 136 Cb 0.32 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3fd6 h GLU 136 CO -0.00 0.58 0.46 -0.09 -1.00 0.00 0.00 179.01 178.96 3fd6 h ARG 137 N 0.35 0.90 0.00 2.33 2.43 -1.09 0.26 114.38 119.55 3fd6 h ARG 137 Ca 0.10 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3fd6 h ARG 137 Cb 0.31 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3fd6 h ARG 137 CO 0.00 0.60 -0.35 -0.44 -1.51 0.00 0.00 179.97 178.26 3fd6 h ASP 138 N 0.93 0.00 0.00 -3.80 3.32 -1.01 -1.46 116.42 114.40 3fd6 h ASP 138 Ca 0.27 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 3fd6 h ASP 138 Cb -0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3fd6 h ASP 138 CO -0.08 0.35 -0.59 0.11 -1.72 0.00 0.00 179.24 177.32 3fd6 h LYS 139 N 0.00 0.01 -0.11 3.56 1.79 -1.21 -3.41 116.57 117.21 3fd6 h LYS 139 Ca -0.00 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.26 3fd6 h LYS 139 Cb 0.92 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3fd6 h LYS 139 CO 0.05 1.01 -0.73 0.28 -1.08 0.00 0.00 179.45 178.97 3fd6 h VAL 140 N -0.98 1.35 -0.12 0.50 2.07 -0.95 -3.34 116.25 114.78 3fd6 h VAL 140 Ca -0.16 -2.07 -0.02 0.00 0.82 0.00 0.00 66.70 65.27 3fd6 h VAL 140 Cb 1.16 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.98 3fd6 h VAL 140 CO -0.09 0.63 -0.00 0.24 0.02 0.00 0.00 177.57 178.37 3fd6 h MET 141 N 0.36 0.22 0.00 1.57 2.86 -1.47 -2.73 114.93 115.74 3fd6 h MET 141 Ca -0.03 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3fd6 h MET 141 Cb 1.32 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 3fd6 h MET 141 CO 0.13 0.47 -0.00 -1.35 1.06 0.00 0.00 176.91 177.22 3fd6 h PRO 142 N -0.06 0.00 0.00 -0.22 0.11 -1.79 0.48 132.00 130.53 3fd6 h PRO 142 Ca 0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 3fd6 h PRO 142 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3fd6 h PRO 142 CO 0.01 0.00 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.65 3fd6 h LEU 143 N 0.00 0.07 -0.41 2.35 3.38 -1.64 -2.63 115.31 116.42 3fd6 h LEU 143 Ca -0.00 -0.83 0.07 0.00 0.09 0.00 0.00 57.88 57.21 3fd6 h LEU 143 Cb 0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3fd6 h LEU 143 CO 0.00 0.89 0.04 0.40 0.09 0.00 0.00 178.44 179.86 3fd6 h ILE 144 N -0.75 0.74 -0.02 1.22 2.04 -1.12 -2.19 117.51 117.42 3fd6 h ILE 144 Ca -0.01 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3fd6 h ILE 144 Cb 0.90 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3fd6 h ILE 144 CO 0.02 0.03 -0.16 0.40 0.00 0.00 0.00 178.15 178.44 3fd6 h ILE 145 N 0.16 1.13 -0.19 -0.67 2.04 -0.98 -2.32 117.51 116.68 3fd6 h ILE 145 Ca 0.20 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 3fd6 h ILE 145 Cb 0.27 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3fd6 h ILE 145 CO -0.30 0.17 0.03 -0.61 0.00 0.00 0.00 178.15 177.44 3fd6 h GLN 146 N 0.03 0.31 -0.70 2.37 5.75 -1.07 -2.71 115.11 119.09 3fd6 h GLN 146 Ca 0.01 -0.08 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3fd6 h GLN 146 Cb 0.30 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 3fd6 h GLN 146 CO 0.02 0.46 0.46 0.78 -2.65 0.00 0.00 178.83 177.90 3fd6 h GLY 147 N 0.10 0.96 0.83 2.39 0.00 -0.89 -2.38 103.07 104.08 3fd6 h GLY 147 Ca 0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3fd6 h GLY 147 CO 0.00 0.30 -0.07 -2.75 0.00 0.00 0.00 176.54 174.02 3fd6 h PHE 148 N 0.85 0.50 0.13 5.60 3.57 -1.45 -3.03 116.94 123.11 3fd6 h PHE 148 Ca 0.28 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3fd6 h PHE 148 Cb 0.04 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3fd6 h PHE 148 CO -0.00 0.69 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.49 3fd6 h LYS 149 N 0.17 -0.16 -0.84 1.11 3.64 -1.13 -1.81 116.57 117.55 3fd6 h LYS 149 Ca 0.06 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3fd6 h LYS 149 Cb 0.53 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 3fd6 h LYS 149 CO 0.02 -0.07 0.55 -0.44 -2.27 0.00 0.00 179.45 177.25 3fd6 h ASP 150 N -0.21 0.94 -0.70 4.20 5.19 -1.54 0.94 116.42 125.23 3fd6 h ASP 150 Ca -0.02 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 3fd6 h ASP 150 Cb 0.17 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 3fd6 h ASP 150 CO 0.03 0.67 0.28 0.00 -3.12 0.00 0.00 179.24 177.09 3fd6 h ALA 151 N 1.32 0.91 -0.45 3.45 0.00 -1.49 -1.22 119.26 121.79 3fd6 h ALA 151 Ca 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3fd6 h ALA 151 Cb -0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3fd6 h ALA 151 CO -0.09 0.54 0.23 0.00 0.00 0.00 0.00 179.25 179.94 3fd6 h ALA 152 N 1.13 0.57 -0.46 0.00 0.00 -0.53 -2.42 119.26 117.56 3fd6 h ALA 152 Ca 0.23 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3fd6 h ALA 152 Cb 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3fd6 h ALA 152 CO -0.02 0.11 0.12 1.49 0.00 0.00 0.00 179.25 180.95 3fd6 h GLU 153 N 0.58 0.26 -0.45 0.00 4.81 -0.45 -0.59 114.58 118.74 3fd6 h GLU 153 Ca 0.16 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3fd6 h GLU 153 Cb 0.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3fd6 h GLU 153 CO -0.02 0.17 0.31 1.49 -0.73 0.00 0.00 179.01 180.23 3fd6 h GLU 154 N 0.27 0.22 -0.00 1.92 4.81 -1.06 -0.69 114.58 120.05 3fd6 h GLU 154 Ca 0.22 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3fd6 h GLU 154 Cb 0.26 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3fd6 h GLU 154 CO -0.27 0.15 -0.06 0.00 -0.73 0.00 0.00 179.01 178.10 3fd6 n ALA 155 N -2.55 2.60 -1.54 2.92 0.00 -0.32 -4.91 120.51 116.71 3fd6 n ALA 155 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3fd6 n ALA 155 Cb 0.36 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3fd6 n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fd6 n GLY 156 N 1.33 0.45 1.01 0.00 0.00 -0.27 -4.28 105.19 103.43 3fd6 n GLY 156 Ca 0.13 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 3fd6 n GLY 156 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3fd6 n THR 157 N -3.50 0.00 -3.55 2.61 5.66 -0.64 -4.83 114.28 110.03 3fd6 n THR 157 Ca 0.00 -0.75 -0.14 0.00 -3.05 0.00 0.00 64.05 60.11 3fd6 n THR 157 Cb 0.30 0.35 -0.05 0.00 -1.55 0.00 0.00 70.33 69.39 3fd6 n THR 157 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3fd6 s SER 158 N -1.74 -0.47 -0.14 1.09 1.04 -1.26 -3.66 113.70 108.57 3fd6 s SER 158 Ca 0.11 0.16 -0.22 0.00 0.48 0.00 0.00 55.95 56.48 3fd6 s SER 158 Cb 0.01 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 3fd6 s SER 158 CO 0.08 -0.76 0.68 -0.69 0.98 0.00 0.00 173.24 173.53 3fd6 s VAL 159 N -2.64 5.01 -0.01 5.02 1.01 -1.26 -2.31 120.40 125.23 3fd6 s VAL 159 Ca -0.04 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.30 3fd6 s VAL 159 Cb -0.00 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.40 3fd6 s VAL 159 CO -0.03 0.16 0.99 0.35 0.00 0.00 0.00 175.10 176.56 3fd6 n THR 160 N 4.33 1.02 -0.48 3.92 -2.24 -0.69 -4.99 114.28 115.16 3fd6 n THR 160 Ca -0.01 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 3fd6 n THR 160 Cb 0.50 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 3fd6 n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fd6 n GLY 161 N -0.56 -1.53 0.00 3.38 0.00 -1.26 -5.07 105.19 100.16 3fd6 n GLY 161 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3fd6 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fd6 n GLY 162 N -0.22 -0.84 2.94 -0.02 0.00 -1.26 -1.09 105.19 104.70 3fd6 n GLY 162 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 3fd6 n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fd6 s GLN 163 N -1.74 0.11 -0.17 1.61 2.00 -0.84 -4.94 119.66 115.70 3fd6 s GLN 163 Ca 0.00 0.37 -0.01 0.00 -2.00 0.00 0.00 55.36 53.72 3fd6 s GLN 163 Cb 0.00 -0.16 0.04 0.00 0.80 0.00 0.00 33.01 33.70 3fd6 s GLN 163 CO 0.00 -0.16 -0.04 0.99 -0.50 0.00 0.00 175.29 175.59 3fd6 s THR 164 N 1.11 0.99 0.04 -0.34 2.01 -1.26 -1.31 115.64 116.88 3fd6 s THR 164 Ca -0.09 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 3fd6 s THR 164 Cb -0.11 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 3fd6 s THR 164 CO -0.06 0.08 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.25 3fd6 s VAL 165 N 1.68 0.17 0.33 3.82 1.01 -1.09 -4.98 120.40 121.33 3fd6 s VAL 165 Ca 0.01 -1.38 -0.27 0.00 0.00 0.00 0.00 61.98 60.33 3fd6 s VAL 165 Cb -0.15 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 3fd6 s VAL 165 CO -0.07 -0.76 1.05 -0.76 0.00 0.00 0.00 175.10 174.55 3fd6 s LEU 166 N -2.29 4.38 0.15 3.92 1.02 -1.26 -0.76 118.68 123.84 3fd6 s LEU 166 Ca -0.03 2.10 -0.13 0.00 0.02 0.00 0.00 54.13 56.10 3fd6 s LEU 166 Cb 0.00 -3.88 0.01 0.00 0.02 0.00 0.00 46.19 42.34 3fd6 s LEU 166 CO -0.06 -0.24 0.35 0.21 0.02 0.00 0.00 176.35 176.63 3fd6 s ASN 167 N -1.25 -0.08 0.42 2.29 2.47 -0.65 -4.86 114.94 113.28 3fd6 s ASN 167 Ca 0.50 -0.61 0.10 0.00 0.42 0.00 0.00 52.86 53.27 3fd6 s ASN 167 Cb -0.26 0.46 0.89 0.00 -1.45 0.00 0.00 41.25 40.89 3fd6 s ASN 167 CO 0.33 -0.89 2.00 -0.65 -3.72 0.00 0.00 177.10 174.16 3fd6 h PRO 168 N 2.46 0.28 -5.92 0.43 0.11 -1.96 0.83 132.00 128.23 3fd6 h PRO 168 Ca -0.32 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.18 3fd6 h PRO 168 Cb 1.24 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 3fd6 h PRO 168 CO 0.47 0.31 -0.53 -1.58 -0.21 0.00 0.00 178.00 176.46 3fd6 s TRP 169 N -5.00 2.60 -0.07 0.65 0.51 -1.26 -4.28 118.94 112.10 3fd6 s TRP 169 Ca -0.06 -0.55 -0.29 0.00 -2.12 0.00 0.00 56.10 53.08 3fd6 s TRP 169 Cb 0.16 -1.84 -0.02 0.00 -0.81 0.00 0.00 33.47 30.96 3fd6 s TRP 169 CO 0.72 0.27 0.96 0.42 -0.51 0.00 0.00 176.95 178.81 3fd6 s ILE 170 N -2.58 4.84 0.04 2.03 1.01 -0.82 -3.69 121.20 122.04 3fd6 s ILE 170 Ca 0.39 1.98 0.06 0.00 0.00 0.00 0.00 60.65 63.09 3fd6 s ILE 170 Cb 0.03 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3fd6 s ILE 170 CO 0.22 0.08 -0.15 -0.69 0.00 0.00 0.00 174.94 174.41 3fd6 s VAL 171 N 1.54 3.05 -0.00 2.92 1.01 -0.35 -4.13 120.40 124.43 3fd6 s VAL 171 Ca 0.48 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3fd6 s VAL 171 Cb -0.19 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 3fd6 s VAL 171 CO 0.22 0.31 -0.04 -0.76 0.00 0.00 0.00 175.10 174.83 3fd6 s LEU 172 N -1.56 2.01 0.00 3.92 1.02 -0.15 -0.86 118.68 123.07 3fd6 s LEU 172 Ca 0.16 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.23 3fd6 s LEU 172 Cb -0.11 -0.19 0.00 0.00 0.02 0.00 0.00 46.19 45.92 3fd6 s LEU 172 CO 0.07 0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.09 3fd6 n GLY 173 N 2.94 0.44 0.00 -3.19 0.00 -0.54 -0.38 105.19 104.46 3fd6 n GLY 173 Ca -0.13 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3fd6 n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fd6 n GLY 174 N 0.00 -1.22 3.00 -0.02 0.00 -0.27 -1.18 105.19 105.50 3fd6 n GLY 174 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 44.96 3fd6 n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fd6 s VAL 175 N -3.00 0.71 -0.07 1.61 1.01 0.90 -1.92 120.40 119.63 3fd6 s VAL 175 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3fd6 s VAL 175 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 3fd6 s VAL 175 CO 0.00 0.22 -0.20 0.00 0.00 0.00 0.00 175.10 175.12 3fd6 s ALA 176 N 0.10 2.40 -0.03 5.51 0.00 -0.87 -1.26 121.76 127.61 3fd6 s ALA 176 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3fd6 s ALA 176 Cb -0.07 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.21 3fd6 s ALA 176 CO 0.00 0.42 -0.00 0.99 0.00 0.00 0.00 175.76 177.17 3fd6 s THR 177 N -0.22 0.20 -0.02 0.00 2.01 0.28 -2.48 115.64 115.41 3fd6 s THR 177 Ca -0.01 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.10 3fd6 s THR 177 Cb -0.13 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.09 3fd6 s THR 177 CO 0.03 0.15 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.12 3fd6 s THR 178 N 1.04 0.85 -0.41 -0.82 2.01 -0.16 -1.22 115.64 116.92 3fd6 s THR 178 Ca -0.10 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 3fd6 s THR 178 Cb -0.14 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.67 3fd6 s THR 178 CO -0.02 0.25 0.29 -0.69 -0.69 0.00 0.00 174.62 173.76 3fd6 s VAL 179 N 0.05 5.02 0.06 3.82 1.01 -1.26 -0.61 120.40 128.50 3fd6 s VAL 179 Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3fd6 s VAL 179 Cb -0.07 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3fd6 s VAL 179 CO 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 175.10 174.80 3fd6 s GLN 181 N -2.15 3.61 0.59 0.00 -1.52 -1.26 -1.69 119.66 117.23 3fd6 s GLN 181 Ca 0.25 0.94 0.28 0.00 -1.95 0.00 0.00 55.36 54.89 3fd6 s GLN 181 Cb -0.12 -2.08 1.67 0.00 -0.22 0.00 0.00 33.01 32.26 3fd6 s GLN 181 CO 0.18 -0.56 2.12 -1.35 -0.25 0.00 0.00 175.29 175.43 3fd6 h PRO 182 N 0.26 0.00 0.00 2.91 0.11 -1.96 -2.06 132.00 131.26 3fd6 h PRO 182 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fd6 h PRO 182 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fd6 h PRO 182 CO 0.60 0.00 0.00 -2.95 -0.21 0.00 0.00 178.00 175.44 3fd6 h ASN 183 N 0.00 0.00 0.60 -2.05 -1.07 -1.99 -3.28 115.58 107.79 3fd6 h ASN 183 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.35 3fd6 h ASN 183 Cb 0.41 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.65 3fd6 h ASN 183 CO -0.00 0.00 -0.44 -0.33 0.07 0.00 0.00 177.43 176.73 3fd6 h GLU 184 N 0.00 0.00 -6.19 4.14 5.08 -1.76 -3.45 114.58 112.39 3fd6 h GLU 184 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3fd6 h GLU 184 Cb 0.65 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 3fd6 h GLU 184 CO 0.00 0.44 -0.69 -0.59 -1.00 0.00 0.00 179.01 177.17 3fd6 s PHE 185 N -3.82 2.51 -0.27 4.33 -0.12 -1.24 -4.04 117.98 115.34 3fd6 s PHE 185 Ca -0.01 -0.28 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 3fd6 s PHE 185 Cb 0.13 -1.13 0.08 0.00 -0.63 0.00 0.00 43.02 41.46 3fd6 s PHE 185 CO 0.72 0.65 0.00 0.42 -0.05 0.00 0.00 175.22 176.96 3fd6 s ILE 186 N -2.42 1.46 0.20 -4.49 1.01 -0.25 -5.04 121.20 111.67 3fd6 s ILE 186 Ca 0.31 -1.42 -0.33 0.00 0.00 0.00 0.00 60.65 59.21 3fd6 s ILE 186 Cb -0.05 -1.88 -0.14 0.00 0.01 0.00 0.00 42.46 40.39 3fd6 s ILE 186 CO 0.18 -0.32 1.45 0.23 0.00 0.00 0.00 174.94 176.47 3fd6 n MET 187 N 4.66 1.96 -1.27 2.79 2.81 -1.26 -4.80 117.12 122.00 3fd6 n MET 187 Ca -0.07 0.70 -0.30 0.00 -1.81 0.00 0.00 57.70 56.23 3fd6 n MET 187 Cb 0.43 -2.39 -0.08 0.00 -0.71 0.00 0.00 33.22 30.48 3fd6 n MET 187 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3fd6 n PRO 188 N 2.53 3.16 -0.52 0.03 -0.04 -1.26 -4.21 135.00 134.69 3fd6 n PRO 188 Ca 0.14 -1.92 -0.00 0.00 -0.04 0.00 0.00 63.50 61.68 3fd6 n PRO 188 Cb 0.29 -2.49 -0.00 0.00 -0.04 0.00 0.00 33.50 31.26 3fd6 n PRO 188 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3fd6 n ASP 189 N 2.94 -0.07 -1.15 3.54 5.68 -1.22 -4.66 116.55 121.61 3fd6 n ASP 189 Ca 0.64 -1.04 0.08 0.00 -0.50 0.00 0.00 54.79 53.98 3fd6 n ASP 189 Cb 0.47 0.02 0.28 0.00 -1.14 0.00 0.00 41.12 40.76 3fd6 n ASP 189 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3fd6 n ASN 190 N 0.00 4.15 -4.76 -1.12 5.15 0.54 -2.89 115.26 116.34 3fd6 n ASN 190 Ca -0.02 -2.65 -0.38 0.00 -0.60 0.00 0.00 54.58 50.94 3fd6 n ASN 190 Cb 0.50 -0.51 0.01 0.00 -0.53 0.00 0.00 39.78 39.25 3fd6 n ASN 190 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fd6 s ALA 191 N -2.18 2.93 0.08 5.20 0.00 -1.24 -4.82 121.76 121.73 3fd6 s ALA 191 Ca 0.42 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.53 3fd6 s ALA 191 Cb 0.30 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3fd6 s ALA 191 CO 0.15 -0.97 -0.09 0.14 0.00 0.00 0.00 175.76 174.99 3fd6 s VAL 192 N -1.42 0.78 0.19 0.00 -7.23 -1.26 -4.55 120.40 106.90 3fd6 s VAL 192 Ca 0.66 -1.51 -0.33 0.00 -1.81 0.00 0.00 61.98 58.99 3fd6 s VAL 192 Cb -0.34 -1.18 -0.14 0.00 0.56 0.00 0.00 36.38 35.27 3fd6 s VAL 192 CO 0.41 -0.55 1.42 -2.65 -0.31 0.00 0.00 175.10 173.42 3fd6 n PRO 193 N 0.75 1.88 0.00 4.82 -0.02 -1.26 -2.09 135.00 139.07 3fd6 n PRO 193 Ca -0.18 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3fd6 n PRO 193 Cb 0.57 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3fd6 n PRO 193 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fd6 n GLY 194 N 2.56 3.05 3.51 -1.23 0.00 0.18 -4.94 105.19 108.32 3fd6 n GLY 194 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3fd6 n GLY 194 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fd6 n ASP 195 N 0.00 -1.18 -4.44 1.61 8.00 -0.89 -4.47 116.55 115.18 3fd6 n ASP 195 Ca 0.00 0.34 -0.28 0.00 0.71 0.00 0.00 54.79 55.56 3fd6 n ASP 195 Cb 0.00 -1.30 -0.12 0.00 -0.02 0.00 0.00 41.12 39.68 3fd6 n ASP 195 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3fd6 s VAL 196 N -2.48 2.50 -0.22 2.53 -7.23 0.09 -1.39 120.40 114.20 3fd6 s VAL 196 Ca 0.61 -1.82 -0.19 0.00 -1.81 0.00 0.00 61.98 58.77 3fd6 s VAL 196 Cb -0.22 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 3fd6 s VAL 196 CO 0.64 -0.02 0.54 -0.76 -0.31 0.00 0.00 175.10 175.20 3fd6 s LEU 197 N -2.41 4.11 -0.14 1.32 1.43 -0.03 -1.95 118.68 121.01 3fd6 s LEU 197 Ca 0.19 0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 53.92 3fd6 s LEU 197 Cb -0.09 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 3fd6 s LEU 197 CO 0.09 -0.24 -0.07 -0.69 0.23 0.00 0.00 176.35 175.67 3fd6 s VAL 198 N 1.97 3.58 -0.10 -1.59 1.01 -0.20 -1.33 120.40 123.74 3fd6 s VAL 198 Ca 0.24 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3fd6 s VAL 198 Cb -0.16 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 3fd6 s VAL 198 CO 0.09 0.51 -0.23 -0.22 0.00 0.00 0.00 175.10 175.25 3fd6 s LEU 199 N 0.31 2.13 0.00 3.92 2.96 -0.88 -0.69 118.68 126.43 3fd6 s LEU 199 Ca -0.06 -0.54 0.23 0.00 -0.22 0.00 0.00 54.13 53.54 3fd6 s LEU 199 Cb -0.15 -1.42 0.05 0.00 0.50 0.00 0.00 46.19 45.17 3fd6 s LEU 199 CO 0.04 0.17 1.13 0.35 -1.32 0.00 0.00 176.35 176.71 3fd6 n THR 200 N 3.46 0.00 -4.11 3.68 -2.24 -0.70 -1.88 114.28 112.50 3fd6 n THR 200 Ca -0.19 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.11 3fd6 n THR 200 Cb 0.53 1.33 -0.12 0.00 -2.10 0.00 0.00 70.33 69.96 3fd6 n THR 200 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3fd6 s LYS 201 N -2.30 0.53 0.65 -0.78 1.02 -1.26 -4.68 119.74 112.91 3fd6 s LYS 201 Ca 0.21 -0.59 -0.15 0.00 0.02 0.00 0.00 55.97 55.46 3fd6 s LYS 201 Cb 0.18 -0.38 -0.01 0.00 -0.52 0.00 0.00 37.83 37.10 3fd6 s LYS 201 CO 0.48 0.08 1.10 -1.25 -0.92 0.00 0.00 175.35 174.85 3fd6 s PRO 202 N -1.10 2.90 0.67 -1.68 0.04 -1.26 -4.57 135.00 130.00 3fd6 s PRO 202 Ca -0.05 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.29 3fd6 s PRO 202 Cb -0.07 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.55 3fd6 s PRO 202 CO 0.00 -1.17 0.98 -0.51 0.04 0.00 0.00 177.00 176.34 3fd6 s LEU 203 N -4.78 2.92 0.00 -3.56 1.43 0.25 -4.74 118.68 110.20 3fd6 s LEU 203 Ca 0.66 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 3fd6 s LEU 203 Cb -0.20 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.86 3fd6 s LEU 203 CO 0.40 -1.48 0.00 0.61 0.23 0.00 0.00 176.35 176.12 3fd6 n GLY 204 N -2.82 1.08 0.33 -3.19 0.00 -1.26 -1.50 105.19 97.83 3fd6 n GLY 204 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 3fd6 n GLY 204 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fd6 h THR 205 N 0.00 1.15 0.12 2.61 1.35 -1.85 -2.45 112.91 113.85 3fd6 h THR 205 Ca 0.00 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 3fd6 h THR 205 Cb 0.00 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 3fd6 h THR 205 CO 0.00 0.15 -0.06 -0.61 -0.25 0.00 0.00 175.52 174.75 3fd6 h GLN 206 N 0.79 -0.16 -0.48 4.72 5.75 -1.94 -2.40 115.11 121.39 3fd6 h GLN 206 Ca 0.21 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.81 3fd6 h GLN 206 Cb -0.08 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.43 3fd6 h GLN 206 CO -0.04 0.11 0.03 0.28 -2.65 0.00 0.00 178.83 176.55 3fd6 h VAL 207 N -0.41 0.65 -0.40 2.39 2.07 -1.83 0.14 116.25 118.87 3fd6 h VAL 207 Ca -0.02 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.48 3fd6 h VAL 207 Cb 0.33 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3fd6 h VAL 207 CO 0.03 0.03 0.21 0.00 0.02 0.00 0.00 177.57 177.86 3fd6 h ALA 208 N 1.41 0.50 -0.56 1.67 0.00 -1.45 0.01 119.26 120.84 3fd6 h ALA 208 Ca 0.24 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3fd6 h ALA 208 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3fd6 h ALA 208 CO -0.38 -0.14 -0.08 -0.39 0.00 0.00 0.00 179.25 178.27 3fd6 h VAL 209 N 0.43 1.27 0.19 0.00 -1.51 -0.98 -2.75 116.25 112.90 3fd6 h VAL 209 Ca 0.16 -1.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 3fd6 h VAL 209 Cb 0.05 0.92 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 3fd6 h VAL 209 CO -0.10 0.44 -0.20 0.00 -1.23 0.00 0.00 177.57 176.48 3fd6 h ALA 210 N 0.94 -0.40 -0.13 5.19 0.00 -0.28 -2.85 119.26 121.73 3fd6 h ALA 210 Ca 0.15 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3fd6 h ALA 210 Cb 0.65 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3fd6 h ALA 210 CO 0.04 -0.75 -0.37 -0.39 0.00 0.00 0.00 179.25 177.78 3fd6 h VAL 211 N -0.43 1.29 -0.47 0.00 -1.51 -1.04 -3.03 116.25 111.06 3fd6 h VAL 211 Ca 0.00 -1.43 -0.04 0.00 -1.23 0.00 0.00 66.70 64.00 3fd6 h VAL 211 Cb 0.41 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 3fd6 h VAL 211 CO -0.06 0.43 0.13 -0.74 -1.23 0.00 0.00 177.57 176.10 3fd6 h HIS 212 N 0.24 0.78 -0.32 5.19 6.17 -1.39 -1.29 115.15 124.54 3fd6 h HIS 212 Ca 0.03 -0.09 0.09 0.00 0.71 0.00 0.00 60.37 61.11 3fd6 h HIS 212 Cb 0.77 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.46 3fd6 h HIS 212 CO 0.02 0.70 0.23 1.96 0.71 0.00 0.00 177.93 181.55 3fd6 h GLN 213 N 0.64 0.01 0.00 5.26 4.20 -1.38 -2.32 115.11 121.51 3fd6 h GLN 213 Ca 0.15 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 3fd6 h GLN 213 Cb 0.30 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3fd6 h GLN 213 CO -0.00 0.00 -0.19 -1.49 -0.67 0.00 0.00 178.83 176.48 3fd6 h TRP 214 N 0.01 0.00 -0.23 2.96 6.55 -1.17 -3.52 115.95 120.54 3fd6 h TRP 214 Ca 0.15 0.00 -0.36 0.00 0.95 0.00 0.00 58.89 59.63 3fd6 h TRP 214 Cb 0.60 0.00 -0.08 0.00 -0.86 0.00 0.00 29.16 28.82 3fd6 h TRP 214 CO -0.00 0.19 1.59 1.28 -1.05 0.00 0.00 178.44 180.45 3fd6 n LEU 215 N -3.33 -0.01 0.00 -4.49 7.99 -0.88 -5.13 117.00 111.15 3fd6 n LEU 215 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 56.01 55.53 3fd6 n LEU 215 Cb 0.42 -0.94 0.00 0.00 -0.11 0.00 0.00 43.42 42.79 3fd6 n LEU 215 CO 0.33 -1.43 0.00 0.55 -1.51 0.00 0.00 177.39 175.33 3fd6 n VAL 227 N 6.90 0.00 -3.83 4.08 3.14 -1.26 -5.18 118.33 122.18 3fd6 n VAL 227 Ca 0.61 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.87 3fd6 n VAL 227 Cb 0.20 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.88 3fd6 n VAL 227 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3fd6 s VAL 228 N 0.00 0.07 0.40 1.55 0.11 -1.26 -4.98 120.40 116.28 3fd6 s VAL 228 Ca 0.00 -0.55 -0.05 0.00 -2.93 0.00 0.00 61.98 58.45 3fd6 s VAL 228 Cb 0.00 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 3fd6 s VAL 228 CO 0.00 -0.30 0.68 0.42 -3.33 0.00 0.00 175.10 172.56 3fd6 s THR 229 N -1.20 4.96 0.44 5.04 -4.23 -1.26 -4.95 115.64 114.44 3fd6 s THR 229 Ca -0.13 0.07 0.17 0.00 -1.18 0.00 0.00 61.69 60.62 3fd6 s THR 229 Cb -0.06 -3.82 0.37 0.00 1.34 0.00 0.00 72.50 70.33 3fd6 s THR 229 CO 0.02 -0.62 1.91 -0.61 -0.54 0.00 0.00 174.62 174.79 3fd6 h GLN 230 N 0.82 0.35 -0.40 3.99 4.15 -2.02 -0.58 115.11 121.44 3fd6 h GLN 230 Ca -0.48 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 58.77 3fd6 h GLN 230 Cb 1.20 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 3fd6 h GLN 230 CO 0.63 0.23 -0.35 1.49 -1.93 0.00 0.00 178.83 178.90 3fd6 h GLU 231 N 0.36 0.93 -0.49 1.69 4.81 -2.01 -2.59 114.58 117.29 3fd6 h GLU 231 Ca 0.38 -0.47 0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3fd6 h GLU 231 Cb 0.95 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 3fd6 h GLU 231 CO -0.11 1.13 0.33 -0.44 -0.73 0.00 0.00 179.01 179.18 3fd6 h ASP 232 N 0.77 0.29 -0.01 1.04 5.19 -1.51 -2.81 116.42 119.38 3fd6 h ASP 232 Ca 0.07 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 3fd6 h ASP 232 Cb 0.94 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.40 3fd6 h ASP 232 CO 0.09 0.19 -0.19 0.58 -3.12 0.00 0.00 179.24 176.78 3fd6 h VAL 233 N 0.33 1.53 -0.66 -1.35 2.07 -1.07 -3.07 116.25 114.02 3fd6 h VAL 233 Ca 0.22 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 3fd6 h VAL 233 Cb 0.44 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 3fd6 h VAL 233 CO -0.05 0.50 0.22 -0.08 0.02 0.00 0.00 177.57 178.18 3fd6 h GLU 234 N -0.50 1.02 -0.28 1.57 4.57 -1.35 -1.71 114.58 117.90 3fd6 h GLU 234 Ca -0.02 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 57.89 3fd6 h GLU 234 Cb 0.91 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 3fd6 h GLU 234 CO 0.04 0.89 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.60 3fd6 h LEU 235 N 0.96 0.44 0.35 1.64 3.38 -1.62 -1.85 115.31 118.62 3fd6 h LEU 235 Ca 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3fd6 h LEU 235 Cb 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3fd6 h LEU 235 CO -0.01 0.57 -0.17 0.00 0.09 0.00 0.00 178.44 178.92 3fd6 h ALA 236 N 1.49 -0.47 -0.70 1.53 0.00 -1.38 -2.22 119.26 117.51 3fd6 h ALA 236 Ca 0.09 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.90 3fd6 h ALA 236 Cb 0.41 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 3fd6 h ALA 236 CO 0.02 -0.58 0.36 -0.92 0.00 0.00 0.00 179.25 178.13 3fd6 h TYR 237 N -0.83 0.65 -0.34 0.00 3.20 -1.23 0.10 116.97 118.52 3fd6 h TYR 237 Ca -0.05 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 3fd6 h TYR 237 Cb 0.53 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3fd6 h TYR 237 CO 0.02 0.25 -0.08 1.96 -1.64 0.00 0.00 178.16 178.68 3fd6 h GLN 238 N 0.62 0.57 -0.15 1.82 1.08 -1.37 -0.00 115.11 117.68 3fd6 h GLN 238 Ca 0.34 -0.15 -0.15 0.00 -1.45 0.00 0.00 58.65 57.23 3fd6 h GLN 238 Cb 0.33 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3fd6 h GLN 238 CO -0.25 0.65 -0.50 1.49 -0.95 0.00 0.00 178.83 179.27 3fd6 h GLU 239 N 0.53 0.60 -0.47 1.46 4.57 -0.55 -2.31 114.58 118.41 3fd6 h GLU 239 Ca 0.10 -0.45 -0.07 0.00 -1.18 0.00 0.00 59.36 57.76 3fd6 h GLU 239 Cb 0.46 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 3fd6 h GLU 239 CO 0.02 1.07 0.01 0.00 -1.18 0.00 0.00 179.01 178.93 3fd6 h ALA 240 N 0.53 0.64 -0.30 2.92 0.00 -0.69 -1.32 119.26 121.03 3fd6 h ALA 240 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3fd6 h ALA 240 Cb 1.12 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3fd6 h ALA 240 CO 0.11 0.43 -0.08 0.52 0.00 0.00 0.00 179.25 180.23 3fd6 h MET 241 N 0.69 -0.01 -0.31 0.00 2.86 -1.01 -0.00 114.93 117.14 3fd6 h MET 241 Ca 0.14 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3fd6 h MET 241 Cb 0.49 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3fd6 h MET 241 CO 0.02 -0.00 0.19 0.52 1.06 0.00 0.00 176.91 178.70 3fd6 h MET 242 N -0.01 0.43 -0.16 1.72 2.07 -1.18 -2.71 114.93 115.10 3fd6 h MET 242 Ca 0.14 -0.04 -0.09 0.00 -2.07 0.00 0.00 59.70 57.64 3fd6 h MET 242 Cb 0.23 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.85 3fd6 h MET 242 CO -0.31 0.32 -0.32 -0.91 1.07 0.00 0.00 176.91 176.76 3fd6 h ASN 243 N 0.40 0.31 -0.04 1.22 2.35 -1.02 -2.63 115.58 116.18 3fd6 h ASN 243 Ca 0.11 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3fd6 h ASN 243 Cb 0.01 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3fd6 h ASN 243 CO -0.02 0.62 -0.25 0.24 -1.65 0.00 0.00 177.43 176.37 3fd6 h MET 244 N 0.27 0.45 0.00 0.81 2.86 -0.95 -3.08 114.93 115.29 3fd6 h MET 244 Ca 0.04 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 3fd6 h MET 244 Cb 0.70 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 3fd6 h MET 244 CO 0.05 0.67 -0.33 0.00 1.06 0.00 0.00 176.91 178.36 3fd6 h ALA 245 N 1.34 0.88 -2.72 6.32 0.00 -1.22 -3.43 119.26 120.42 3fd6 h ALA 245 Ca 0.06 -0.30 -0.52 0.00 0.00 0.00 0.00 54.91 54.15 3fd6 h ALA 245 Cb 0.65 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.43 3fd6 h ALA 245 CO 0.05 0.41 0.68 0.50 0.00 0.00 0.00 179.25 180.89 3fd6 s ARG 246 N -3.34 4.35 0.25 0.00 3.52 -1.01 -4.83 118.95 117.89 3fd6 s ARG 246 Ca 0.02 2.14 -0.27 0.00 -0.13 0.00 0.00 55.73 57.49 3fd6 s ARG 246 Cb 0.09 -3.16 -0.09 0.00 -1.56 0.00 0.00 34.95 30.23 3fd6 s ARG 246 CO 0.69 -0.29 0.89 -0.51 -0.81 0.00 0.00 175.30 175.27 3fd6 s LEU 247 N -0.38 4.51 0.00 -0.88 1.43 -1.26 -4.95 118.68 117.15 3fd6 s LEU 247 Ca 0.56 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 3fd6 s LEU 247 Cb -0.38 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.15 3fd6 s LEU 247 CO 0.41 0.08 0.81 0.59 0.23 0.00 0.00 176.35 178.47 3fd6 n ASN 248 N 1.14 0.14 -0.21 2.29 3.02 -1.26 -4.35 115.26 116.03 3fd6 n ASN 248 Ca -0.01 -1.75 -0.07 0.00 -0.03 0.00 0.00 54.58 52.71 3fd6 n ASN 248 Cb 0.49 -0.07 0.08 0.00 -0.61 0.00 0.00 39.78 39.66 3fd6 n ASN 248 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3fd6 h ARG 249 N 0.02 1.03 -0.52 3.52 2.43 -1.94 -1.86 114.38 117.06 3fd6 h ARG 249 Ca 0.00 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 3fd6 h ARG 249 Cb 0.07 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3fd6 h ARG 249 CO 0.00 0.96 0.09 1.15 -1.51 0.00 0.00 179.97 180.65 3fd6 h THR 250 N 0.97 1.25 -0.35 0.20 2.02 -1.97 -3.03 112.91 111.99 3fd6 h THR 250 Ca 0.19 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 3fd6 h THR 250 Cb 0.44 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3fd6 h THR 250 CO 0.01 0.34 0.20 0.00 0.37 0.00 0.00 175.52 176.44 3fd6 h ALA 251 N 0.98 0.45 -0.86 6.16 0.00 -1.79 -1.97 119.26 122.23 3fd6 h ALA 251 Ca 0.16 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.18 3fd6 h ALA 251 Cb 0.40 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 3fd6 h ALA 251 CO 0.01 -0.04 0.41 0.00 0.00 0.00 0.00 179.25 179.63 3fd6 h ALA 252 N 1.07 1.34 -0.24 0.00 0.00 -1.36 -2.41 119.26 117.65 3fd6 h ALA 252 Ca 0.12 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3fd6 h ALA 252 Cb 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fd6 h ALA 252 CO -0.02 -0.22 -0.26 0.78 0.00 0.00 0.00 179.25 179.53 3fd6 h GLY 253 N 0.50 0.66 1.96 0.00 0.00 -1.31 -2.99 103.07 101.90 3fd6 h GLY 253 Ca 0.51 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3fd6 h GLY 253 CO -0.45 0.62 0.00 1.04 0.00 0.00 0.00 176.54 177.76 3fd6 n LEU 254 N -4.33 0.00 0.16 3.11 4.77 -0.79 -1.80 117.00 118.11 3fd6 n LEU 254 Ca -0.05 0.48 0.04 0.00 -0.03 0.00 0.00 56.01 56.45 3fd6 n LEU 254 Cb 0.45 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 41.22 3fd6 n LEU 254 CO 0.43 -0.28 0.55 0.24 -1.33 0.00 0.00 177.39 177.01 3fd6 h MET 255 N 0.00 0.00 0.11 3.23 2.86 -1.28 -1.48 114.93 118.36 3fd6 h MET 255 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3fd6 h MET 255 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3fd6 h MET 255 CO 0.00 0.47 -0.05 0.45 1.06 0.00 0.00 176.91 178.83 3fd6 h HIS 256 N 0.00 -0.14 -0.98 -0.22 3.86 -1.45 0.49 115.15 116.71 3fd6 h HIS 256 Ca -0.00 -0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.46 3fd6 h HIS 256 Cb 1.18 0.05 -0.13 0.00 1.06 0.00 0.00 27.41 29.57 3fd6 h HIS 256 CO 0.00 0.24 0.55 1.15 0.86 0.00 0.00 177.93 180.73 3fd6 h THR 257 N -0.97 0.47 -0.49 2.45 2.02 -1.51 -1.88 112.91 113.00 3fd6 h THR 257 Ca -0.02 -0.17 -0.27 0.00 0.77 0.00 0.00 66.41 66.73 3fd6 h THR 257 Cb 0.44 -0.06 -0.16 0.00 -1.74 0.00 0.00 68.15 66.63 3fd6 h THR 257 CO 0.03 0.09 0.02 0.49 0.37 0.00 0.00 175.52 176.52 3fd6 n PHE 258 N -4.95 1.52 -4.15 3.16 3.72 -0.56 -5.00 117.46 111.20 3fd6 n PHE 258 Ca 0.27 -1.73 -0.29 0.00 -0.05 0.00 0.00 57.45 55.64 3fd6 n PHE 258 Cb 0.78 -0.59 -0.06 0.00 -0.94 0.00 0.00 39.48 38.67 3fd6 n PHE 258 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3fd6 n ASN 259 N -1.11 0.12 -4.69 4.37 5.15 -0.71 -4.81 115.26 113.57 3fd6 n ASN 259 Ca 0.39 -1.17 -0.39 0.00 -0.60 0.00 0.00 54.58 52.82 3fd6 n ASN 259 Cb 1.11 -2.22 0.04 0.00 -0.53 0.00 0.00 39.78 38.19 3fd6 n ASN 259 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fd6 n ALA 260 N -4.53 1.05 -0.01 5.20 0.00 0.14 -4.71 120.51 117.66 3fd6 n ALA 260 Ca -0.31 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.33 3fd6 n ALA 260 Cb 0.69 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.72 3fd6 n ALA 260 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fd6 n HIS 261 N -1.13 0.08 -3.55 0.00 -0.00 0.03 -4.98 115.22 105.67 3fd6 n HIS 261 Ca 0.11 0.02 -0.07 0.00 -0.00 0.00 0.00 57.72 57.79 3fd6 n HIS 261 Cb 0.44 -0.59 -0.02 0.00 -0.00 0.00 0.00 29.99 29.82 3fd6 n HIS 261 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3fd6 s ALA 262 N -3.39 -1.95 0.06 -1.41 0.00 -1.24 -0.34 121.76 113.50 3fd6 s ALA 262 Ca -0.08 1.35 -0.26 0.00 0.00 0.00 0.00 51.96 52.98 3fd6 s ALA 262 Cb 0.13 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.34 3fd6 s ALA 262 CO 0.89 -0.60 0.61 0.00 0.00 0.00 0.00 175.76 176.66 3fd6 s ALA 263 N -2.57 -1.60 0.15 0.00 0.00 -1.26 -1.08 121.76 115.40 3fd6 s ALA 263 Ca 0.06 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.83 3fd6 s ALA 263 Cb -0.01 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 3fd6 s ALA 263 CO -0.06 -0.57 0.02 -0.08 0.00 0.00 0.00 175.76 175.07 3fd6 s THR 264 N -2.57 0.46 0.16 0.00 -1.32 -0.54 -4.78 115.64 107.05 3fd6 s THR 264 Ca -0.05 -1.95 0.01 0.00 -1.21 0.00 0.00 61.69 58.50 3fd6 s THR 264 Cb -0.01 -2.06 -0.04 0.00 -1.51 0.00 0.00 72.50 68.89 3fd6 s THR 264 CO -0.03 -0.50 0.31 1.51 -2.21 0.00 0.00 174.62 173.70 3fd6 s ASP 265 N -3.12 6.35 -0.43 8.08 -4.77 -1.26 -0.71 116.67 120.81 3fd6 s ASP 265 Ca 0.23 0.24 -0.15 0.00 -3.30 0.00 0.00 52.55 49.57 3fd6 s ASP 265 Cb 0.07 -1.94 0.04 0.00 -1.09 0.00 0.00 42.92 40.00 3fd6 s ASP 265 CO 0.02 0.03 0.33 -0.63 0.70 0.00 0.00 175.17 175.62 3fd6 s ILE 266 N -1.77 5.16 0.00 2.11 -1.09 -0.90 -4.92 121.20 119.80 3fd6 s ILE 266 Ca 0.36 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3fd6 s ILE 266 Cb -0.11 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 3fd6 s ILE 266 CO 0.29 -0.42 0.00 0.35 -1.23 0.00 0.00 174.94 173.93 3fd6 n THR 267 N 5.16 0.00 0.10 2.92 -2.24 -1.26 -2.16 114.28 116.80 3fd6 n THR 267 Ca -0.12 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.87 3fd6 n THR 267 Cb 0.45 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 69.41 3fd6 n THR 267 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3fd6 h GLY 268 N 0.00 0.00 0.78 3.38 0.00 -1.79 -0.85 103.07 104.59 3fd6 h GLY 268 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fd6 h GLY 268 CO 0.00 0.00 -0.32 0.69 0.00 0.00 0.00 176.54 176.91 3fd6 n PHE 269 N -3.55 0.00 0.00 5.60 3.72 -1.26 -4.09 117.46 117.88 3fd6 n PHE 269 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3fd6 n PHE 269 Cb 0.67 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 3fd6 n PHE 269 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fd6 n GLY 270 N 1.41 -1.10 0.24 1.37 0.00 -0.44 -3.19 105.19 103.48 3fd6 n GLY 270 Ca 0.09 -1.63 0.02 0.00 0.00 0.00 0.00 46.02 44.50 3fd6 n GLY 270 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fd6 h ILE 271 N 0.00 0.55 -0.12 -0.61 6.09 -1.69 -1.85 117.51 119.88 3fd6 h ILE 271 Ca 0.00 -0.07 -0.19 0.00 -1.37 0.00 0.00 64.86 63.23 3fd6 h ILE 271 Cb 0.00 0.34 -0.00 0.00 0.47 0.00 0.00 36.82 37.63 3fd6 h ILE 271 CO 0.00 0.04 -0.72 0.25 -3.07 0.00 0.00 178.15 174.64 3fd6 h LEU 272 N 0.19 0.64 -0.13 2.19 5.85 -0.76 -1.73 115.31 121.56 3fd6 h LEU 272 Ca 0.34 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3fd6 h LEU 272 Cb 0.54 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3fd6 h LEU 272 CO -0.48 1.16 0.07 1.23 -0.34 0.00 0.00 178.44 180.09 3fd6 h GLY 273 N 1.04 0.17 1.81 3.75 0.00 -1.32 -0.94 103.07 107.57 3fd6 h GLY 273 Ca -0.03 -0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.05 3fd6 h GLY 273 CO 0.13 0.05 -0.88 0.45 0.00 0.00 0.00 176.54 176.30 3fd6 h HIS 274 N 0.15 0.26 -0.27 5.60 3.86 -1.43 -2.83 115.15 120.49 3fd6 h HIS 274 Ca 0.05 -0.14 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3fd6 h HIS 274 Cb 0.00 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3fd6 h HIS 274 CO -0.08 0.96 0.12 0.00 0.86 0.00 0.00 177.93 179.79 3fd6 h ALA 275 N 0.99 0.32 -0.93 2.45 0.00 -1.16 -1.28 119.26 119.65 3fd6 h ALA 275 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3fd6 h ALA 275 Cb 1.51 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 3fd6 h ALA 275 CO 0.13 -0.28 0.54 1.96 0.00 0.00 0.00 179.25 181.60 3fd6 h GLN 276 N 0.26 1.28 -0.40 0.00 4.20 -1.13 -1.43 115.11 117.89 3fd6 h GLN 276 Ca 0.11 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.54 3fd6 h GLN 276 Cb 0.05 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3fd6 h GLN 276 CO -0.09 0.91 -0.34 -0.97 -0.67 0.00 0.00 178.83 177.67 3fd6 h ASN 277 N 1.29 0.96 0.02 1.46 -1.24 -1.35 -2.88 115.58 113.84 3fd6 h ASN 277 Ca 0.33 -0.42 -0.00 0.00 0.71 0.00 0.00 56.30 56.92 3fd6 h ASN 277 Cb -0.02 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.76 3fd6 h ASN 277 CO -0.06 1.21 -0.01 0.25 -1.29 0.00 0.00 177.43 177.53 3fd6 h LEU 278 N 0.76 -0.02 -0.24 0.34 5.85 -0.86 -3.19 115.31 117.94 3fd6 h LEU 278 Ca 0.07 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3fd6 h LEU 278 Cb 0.92 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 3fd6 h LEU 278 CO 0.09 0.01 -0.17 0.00 -0.34 0.00 0.00 178.44 178.03 3fd6 h ALA 279 N 0.94 0.00 0.00 1.25 0.00 -1.22 0.51 119.26 120.74 3fd6 h ALA 279 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fd6 h ALA 279 Cb 0.04 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fd6 h ALA 279 CO 0.00 -0.58 0.11 -0.22 0.00 0.00 0.00 179.25 178.56 3fd6 h LYS 280 N -0.16 0.00 0.00 0.00 3.64 -1.52 0.36 116.57 118.89 3fd6 h LYS 280 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3fd6 h LYS 280 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3fd6 h LYS 280 CO -0.34 0.00 -0.27 0.94 -2.27 0.00 0.00 179.45 177.51 3fd6 n GLN 281 N -2.55 0.24 -2.07 1.90 -0.06 0.17 -4.94 117.38 110.07 3fd6 n GLN 281 Ca -0.02 0.13 -0.41 0.00 -2.00 0.00 0.00 57.00 54.70 3fd6 n GLN 281 Cb 0.15 -1.72 -0.03 0.00 -4.06 0.00 0.00 30.24 24.59 3fd6 n GLN 281 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3fd6 s GLN 282 N -3.11 4.30 0.14 3.69 -1.52 0.11 -4.75 119.66 118.52 3fd6 s GLN 282 Ca 0.09 2.23 -0.17 0.00 -1.95 0.00 0.00 55.36 55.56 3fd6 s GLN 282 Cb 0.14 -3.15 -0.00 0.00 -0.22 0.00 0.00 33.01 29.78 3fd6 s GLN 282 CO 0.65 -0.39 1.76 -0.09 -0.25 0.00 0.00 175.29 176.96 3fd6 h ARG 283 N 5.41 0.52 -6.94 2.91 9.65 -1.87 -3.45 114.38 120.62 3fd6 h ARG 283 Ca -0.45 -0.05 -0.48 0.00 -1.10 0.00 0.00 59.98 57.89 3fd6 h ARG 283 Cb 1.21 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3fd6 h ARG 283 CO 0.79 0.41 0.21 -0.80 2.80 0.00 0.00 179.97 183.38 3fd6 s ASN 284 N -5.64 6.64 -0.85 -3.80 0.02 -1.26 -4.99 114.94 105.06 3fd6 s ASN 284 Ca -0.13 1.34 -0.25 0.00 -1.02 0.00 0.00 52.86 52.80 3fd6 s ASN 284 Cb 0.10 -2.41 -0.00 0.00 0.02 0.00 0.00 41.25 38.96 3fd6 s ASN 284 CO 0.73 -0.41 1.69 -1.61 0.02 0.00 0.00 177.10 177.52 3fd6 s GLU 285 N -3.67 2.95 0.11 -0.60 2.02 -1.26 -4.85 118.70 113.41 3fd6 s GLU 285 Ca 0.55 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 55.24 3fd6 s GLU 285 Cb -0.10 -4.87 -0.04 0.00 0.10 0.00 0.00 34.13 29.22 3fd6 s GLU 285 CO 0.27 -2.73 -0.08 0.14 0.02 0.00 0.00 175.26 172.87 3fd6 s VAL 286 N 7.79 0.88 0.04 2.63 -7.23 -1.21 -2.17 120.40 121.13 3fd6 s VAL 286 Ca 0.57 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3fd6 s VAL 286 Cb -0.06 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 3fd6 s VAL 286 CO 0.04 -0.79 -0.06 -0.44 -0.31 0.00 0.00 175.10 173.53 3fd6 s SER 287 N -3.00 0.71 -0.13 4.85 0.01 0.93 0.62 113.70 117.70 3fd6 s SER 287 Ca 0.12 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 3fd6 s SER 287 Cb 0.03 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 3fd6 s SER 287 CO -0.02 -0.27 0.02 -0.36 0.41 0.00 0.00 173.24 173.02 3fd6 s PHE 288 N -1.73 3.20 -0.15 2.43 0.08 0.45 -1.56 117.98 120.70 3fd6 s PHE 288 Ca -0.09 0.10 -0.00 0.00 0.12 0.00 0.00 56.93 57.06 3fd6 s PHE 288 Cb -0.08 -1.91 0.04 0.00 -0.57 0.00 0.00 43.02 40.50 3fd6 s PHE 288 CO -0.01 0.32 -0.06 0.08 -0.10 0.00 0.00 175.22 175.45 3fd6 s VAL 289 N -0.34 1.07 -0.21 -0.44 1.01 -0.48 -1.58 120.40 119.43 3fd6 s VAL 289 Ca 0.08 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3fd6 s VAL 289 Cb -0.12 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3fd6 s VAL 289 CO 0.02 0.22 0.20 -0.63 0.00 0.00 0.00 175.10 174.90 3fd6 s ILE 290 N 1.66 5.35 -0.23 2.22 1.01 -0.89 -0.50 121.20 129.82 3fd6 s ILE 290 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3fd6 s ILE 290 Cb -0.14 -3.54 -0.14 0.00 0.01 0.00 0.00 42.46 38.65 3fd6 s ILE 290 CO -0.08 0.37 -0.22 1.41 0.00 0.00 0.00 174.94 176.42 3fd6 n HIS 291 N 3.99 0.00 -4.17 3.97 8.25 0.61 -2.43 115.22 125.45 3fd6 n HIS 291 Ca -0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.18 3fd6 n HIS 291 Cb 0.52 -0.88 -0.11 0.00 1.12 0.00 0.00 29.99 30.64 3fd6 n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3fd6 s ASN 292 N -6.33 1.38 -0.23 0.41 2.20 -0.71 -2.61 114.94 109.05 3fd6 s ASN 292 Ca -0.31 -0.81 0.02 0.00 -0.94 0.00 0.00 52.86 50.82 3fd6 s ASN 292 Cb 0.09 0.02 0.05 0.00 -2.00 0.00 0.00 41.25 39.40 3fd6 s ASN 292 CO 0.52 -0.27 -0.12 -0.76 -2.94 0.00 0.00 177.10 173.52 3fd6 s LEU 293 N -2.42 2.86 -0.67 3.54 1.43 0.11 -4.74 118.68 118.79 3fd6 s LEU 293 Ca 0.05 -1.13 -0.27 0.00 -1.03 0.00 0.00 54.13 51.75 3fd6 s LEU 293 Cb -0.03 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.79 3fd6 s LEU 293 CO -0.00 -0.15 1.23 -2.84 0.23 0.00 0.00 176.35 174.82 3fd6 s PRO 294 N 1.23 3.33 0.01 1.29 0.02 -1.26 -0.03 135.00 139.59 3fd6 s PRO 294 Ca -0.04 -0.04 0.05 0.00 0.02 0.00 0.00 61.00 60.99 3fd6 s PRO 294 Cb -0.18 -4.11 -0.03 0.00 0.02 0.00 0.00 34.50 30.20 3fd6 s PRO 294 CO -0.07 -1.93 -0.12 0.08 -0.33 0.00 0.00 177.00 174.63 3fd6 s VAL 295 N 5.35 3.28 0.14 3.83 1.01 0.14 0.85 120.40 135.00 3fd6 s VAL 295 Ca 0.38 -0.91 -0.35 0.00 0.00 0.00 0.00 61.98 61.10 3fd6 s VAL 295 Cb -0.08 -2.40 -0.14 0.00 0.00 0.00 0.00 36.38 33.76 3fd6 s VAL 295 CO 0.20 0.40 1.53 0.18 0.00 0.00 0.00 175.10 177.40 3fd6 n LEU 296 N 1.64 2.76 -4.69 3.92 4.77 -0.56 -1.41 117.00 123.43 3fd6 n LEU 296 Ca -0.16 1.09 -0.44 0.00 -0.03 0.00 0.00 56.01 56.47 3fd6 n LEU 296 Cb 0.52 -1.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.22 3fd6 n LEU 296 CO 0.29 -0.46 1.10 0.00 -1.33 0.00 0.00 177.39 176.99 3fd6 n ALA 297 N 3.25 1.57 0.00 -1.18 0.00 -0.88 -2.14 120.51 121.13 3fd6 n ALA 297 Ca 0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3fd6 n ALA 297 Cb 0.26 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.38 3fd6 n ALA 297 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3fd6 n LYS 298 N 2.21 0.00 0.09 0.00 2.85 -1.26 -4.88 118.16 117.18 3fd6 n LYS 298 Ca 0.11 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.34 3fd6 n LYS 298 Cb 0.33 -0.81 -0.04 0.00 -0.65 0.00 0.00 35.03 33.86 3fd6 n LYS 298 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 3fd6 h MET 299 N 2.29 0.00 -0.69 -1.58 2.07 -1.79 -2.79 114.93 112.44 3fd6 h MET 299 Ca 0.00 0.00 0.05 0.00 -2.07 0.00 0.00 59.70 57.68 3fd6 h MET 299 Cb 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 29.68 3fd6 h MET 299 CO 0.00 0.81 0.40 0.00 1.07 0.00 0.00 176.91 179.19 3fd6 h ALA 300 N 1.19 0.91 0.00 6.32 0.00 -1.90 -2.00 119.26 123.78 3fd6 h ALA 300 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fd6 h ALA 300 Cb 1.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3fd6 h ALA 300 CO 0.10 0.11 -0.36 0.00 0.00 0.00 0.00 179.25 179.10 3fd6 h ALA 301 N 1.33 1.40 0.24 0.00 0.00 -1.89 -1.16 119.26 119.18 3fd6 h ALA 301 Ca 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3fd6 h ALA 301 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fd6 h ALA 301 CO -0.16 0.46 -0.12 0.28 0.00 0.00 0.00 179.25 179.71 3fd6 h VAL 302 N 0.00 0.66 -0.86 0.00 2.07 -1.24 -2.54 116.25 114.34 3fd6 h VAL 302 Ca -0.00 -0.91 0.11 0.00 0.82 0.00 0.00 66.70 66.72 3fd6 h VAL 302 Cb 0.65 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 3fd6 h VAL 302 CO 0.05 0.16 0.49 -1.28 0.02 0.00 0.00 177.57 177.00 3fd6 h SER 303 N -0.89 0.67 -0.35 0.57 0.87 -1.23 -0.80 113.55 112.39 3fd6 h SER 303 Ca -0.03 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3fd6 h SER 303 Cb 0.51 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 3fd6 h SER 303 CO 0.06 0.35 0.14 0.11 -0.53 0.00 0.00 176.83 176.96 3fd6 h LYS 304 N 0.78 0.29 0.00 2.24 1.57 -1.28 -1.38 116.57 118.78 3fd6 h LYS 304 Ca 0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3fd6 h LYS 304 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3fd6 h LYS 304 CO -0.28 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 178.79 3fd6 n ALA 305 N -2.31 1.39 -1.03 3.86 0.00 -0.36 -2.42 120.51 119.64 3fd6 n ALA 305 Ca 0.01 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.52 3fd6 n ALA 305 Cb 0.11 -1.18 0.28 0.00 0.00 0.00 0.00 19.45 18.66 3fd6 n ALA 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fd6 n GLY 307 N -0.41 1.51 1.37 0.00 0.00 -1.01 -0.84 105.19 105.82 3fd6 n GLY 307 Ca 0.25 0.51 -0.01 0.00 0.00 0.00 0.00 46.02 46.77 3fd6 n GLY 307 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fd6 n ASN 308 N 8.07 3.74 0.00 1.61 3.02 -1.26 -4.45 115.26 126.00 3fd6 n ASN 308 Ca 0.00 -3.34 -0.03 0.00 -0.03 0.00 0.00 54.58 51.18 3fd6 n ASN 308 Cb 0.00 -0.65 0.20 0.00 -0.61 0.00 0.00 39.78 38.72 3fd6 n ASN 308 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3fd6 h MET 309 N 1.77 0.52 0.00 3.52 -1.53 -1.29 -3.41 114.93 114.50 3fd6 h MET 309 Ca 0.18 -0.18 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3fd6 h MET 309 Cb 1.86 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 32.87 3fd6 h MET 309 CO 0.48 0.70 -0.37 1.19 0.14 0.00 0.00 176.91 179.05 3fd6 n PHE 310 N -4.14 -0.05 -2.14 1.39 3.72 -1.26 -3.83 117.46 111.15 3fd6 n PHE 310 Ca -0.00 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3fd6 n PHE 310 Cb 0.38 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3fd6 n PHE 310 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fd6 n GLY 311 N 3.26 0.66 0.26 1.37 0.00 -1.26 -4.04 105.19 105.44 3fd6 n GLY 311 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.26 3fd6 n GLY 311 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fd6 h LEU 312 N 0.00 0.40 -0.12 0.99 5.85 -1.92 -1.39 115.31 119.13 3fd6 h LEU 312 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3fd6 h LEU 312 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3fd6 h LEU 312 CO 0.00 0.22 0.00 0.23 -0.34 0.00 0.00 178.44 178.55 3fd6 n MET 313 N -4.90 0.10 0.07 1.25 2.81 -1.26 -2.82 117.12 112.36 3fd6 n MET 313 Ca 0.11 0.18 0.11 0.00 -1.81 0.00 0.00 57.70 56.29 3fd6 n MET 313 Cb 0.28 -1.63 -0.00 0.00 -0.71 0.00 0.00 33.22 31.15 3fd6 n MET 313 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3fd6 n HIS 314 N -1.80 0.70 -0.06 2.03 8.25 -0.56 -4.97 115.22 118.81 3fd6 n HIS 314 Ca 0.05 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 3fd6 n HIS 314 Cb 0.30 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.62 3fd6 n HIS 314 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fd6 n GLY 315 N 1.23 0.67 0.84 -1.41 0.00 -1.01 -4.85 105.19 100.67 3fd6 n GLY 315 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3fd6 n GLY 315 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fd6 n THR 316 N -2.02 0.73 -2.13 2.61 -2.24 -1.23 -0.11 114.28 109.89 3fd6 n THR 316 Ca 0.00 -0.87 -0.42 0.00 -2.27 0.00 0.00 64.05 60.49 3fd6 n THR 316 Cb 0.00 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 3fd6 n THR 316 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fd6 n PRO 318 N 6.19 2.24 -4.06 0.00 -0.02 -1.26 -3.89 135.00 134.20 3fd6 n PRO 318 Ca 0.15 0.79 -0.27 0.00 -2.02 0.00 0.00 63.50 62.14 3fd6 n PRO 318 Cb 0.43 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 3fd6 n PRO 318 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3fd6 s GLU 319 N -1.45 2.95 -0.07 -0.52 0.41 -0.51 -3.88 118.70 115.64 3fd6 s GLU 319 Ca 0.59 -0.80 0.02 0.00 -0.41 0.00 0.00 54.97 54.37 3fd6 s GLU 319 Cb -0.57 -2.70 -0.03 0.00 -1.78 0.00 0.00 34.13 29.06 3fd6 s GLU 319 CO 0.58 0.51 -0.11 0.99 -0.49 0.00 0.00 175.26 176.75 3fd6 s THR 320 N -1.65 3.37 -1.31 3.63 2.01 -1.26 -2.10 115.64 118.32 3fd6 s THR 320 Ca 0.31 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 3fd6 s THR 320 Cb -0.11 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.06 3fd6 s THR 320 CO 0.24 0.59 0.17 -0.24 -0.69 0.00 0.00 174.62 174.68 3fd6 n SER 321 N 2.40 -0.40 -3.34 3.53 2.88 -1.26 -4.84 113.62 112.59 3fd6 n SER 321 Ca -0.18 -1.16 -0.22 0.00 -1.33 0.00 0.00 58.87 55.98 3fd6 n SER 321 Cb 0.53 -1.42 0.18 0.00 -0.75 0.00 0.00 64.21 62.74 3fd6 n SER 321 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fd6 n GLY 322 N -2.31 -2.23 0.00 0.46 0.00 -0.92 -4.46 105.19 95.74 3fd6 n GLY 322 Ca -0.24 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3fd6 n GLY 322 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fd6 n GLY 323 N -2.44 0.82 3.82 -0.02 0.00 -1.26 -4.61 105.19 101.50 3fd6 n GLY 323 Ca 0.12 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 3fd6 n GLY 323 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fd6 s LEU 324 N 0.00 4.50 -0.31 0.99 1.43 -1.26 -2.12 118.68 121.91 3fd6 s LEU 324 Ca 0.00 1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 54.13 3fd6 s LEU 324 Cb 0.00 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.49 3fd6 s LEU 324 CO 0.00 0.30 0.11 -0.22 0.23 0.00 0.00 176.35 176.77 3fd6 s LEU 325 N -1.11 3.99 -0.00 1.79 2.96 0.11 -1.71 118.68 124.71 3fd6 s LEU 325 Ca 0.26 -0.71 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3fd6 s LEU 325 Cb -0.18 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3fd6 s LEU 325 CO 0.16 -0.21 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.17 3fd6 s ILE 326 N 1.52 1.40 -0.41 6.68 1.01 0.13 -1.47 121.20 130.07 3fd6 s ILE 326 Ca 0.03 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 3fd6 s ILE 326 Cb -0.17 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.15 3fd6 s ILE 326 CO 0.04 0.35 0.28 0.00 0.00 0.00 0.00 174.94 175.61 3fd6 s LEU 328 N 1.63 2.08 0.77 0.00 1.43 -0.82 -0.79 118.68 122.98 3fd6 s LEU 328 Ca 0.04 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 3fd6 s LEU 328 Cb -0.20 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 45.09 3fd6 s LEU 328 CO 0.08 0.21 1.12 -2.65 0.23 0.00 0.00 176.35 175.35 3fd6 n PRO 329 N 2.37 0.35 -0.05 1.29 -0.02 -1.26 -0.73 135.00 136.96 3fd6 n PRO 329 Ca -0.16 0.19 0.07 0.00 -2.02 0.00 0.00 63.50 61.58 3fd6 n PRO 329 Cb 0.53 -2.37 0.45 0.00 -0.02 0.00 0.00 33.50 32.09 3fd6 n PRO 329 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fd6 h ARG 330 N -0.60 0.50 -0.09 -0.52 2.43 -1.93 -2.53 114.38 111.65 3fd6 h ARG 330 Ca -0.47 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 3fd6 h ARG 330 Cb 1.31 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3fd6 h ARG 330 CO 0.46 0.33 -0.34 0.93 -1.51 0.00 0.00 179.97 179.84 3fd6 h GLU 331 N 0.52 0.38 0.00 0.20 5.08 -1.98 -3.05 114.58 115.74 3fd6 h GLU 331 Ca 0.21 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3fd6 h GLU 331 Cb 0.20 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3fd6 h GLU 331 CO -0.06 0.93 0.00 1.04 -1.00 0.00 0.00 179.01 179.92 3fd6 n GLN 332 N -4.39 0.13 -0.03 2.33 1.13 -0.98 -3.50 117.38 112.07 3fd6 n GLN 332 Ca -0.08 0.57 -0.06 0.00 -1.94 0.00 0.00 57.00 55.49 3fd6 n GLN 332 Cb 0.51 -1.88 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 3fd6 n GLN 332 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fd6 h ALA 333 N 2.07 -0.05 -0.82 -1.58 0.00 -1.36 -0.30 119.26 117.20 3fd6 h ALA 333 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3fd6 h ALA 333 Cb 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3fd6 h ALA 333 CO 0.00 -0.06 0.52 0.00 0.00 0.00 0.00 179.25 179.70 3fd6 h ALA 334 N -0.63 1.05 -0.39 0.00 0.00 -1.66 0.88 119.26 118.51 3fd6 h ALA 334 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fd6 h ALA 334 Cb 0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fd6 h ALA 334 CO 0.01 0.49 0.22 -0.09 0.00 0.00 0.00 179.25 179.88 3fd6 h ARG 335 N 1.12 0.54 -0.34 0.00 2.43 -1.65 0.20 114.38 116.68 3fd6 h ARG 335 Ca 0.30 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3fd6 h ARG 335 Cb -0.08 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3fd6 h ARG 335 CO -0.06 0.42 0.18 0.35 -1.51 0.00 0.00 179.97 179.35 3fd6 h PHE 336 N 0.51 0.34 -0.83 2.20 3.57 -0.77 -1.94 116.94 120.01 3fd6 h PHE 336 Ca 0.14 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3fd6 h PHE 336 Cb 0.03 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 3fd6 h PHE 336 CO -0.03 0.19 0.44 0.00 -2.23 0.00 0.00 178.31 176.68 3fd6 h ALA 338 N 1.32 0.92 0.00 0.00 0.00 -0.40 -3.13 119.26 117.97 3fd6 h ALA 338 Ca 0.29 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3fd6 h ALA 338 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3fd6 h ALA 338 CO -0.04 0.53 -0.59 1.49 0.00 0.00 0.00 179.25 180.63 3fd6 h GLU 339 N 1.00 0.00 -0.01 0.00 4.57 -1.16 -2.35 114.58 116.63 3fd6 h GLU 339 Ca 0.24 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.26 3fd6 h GLU 339 Cb 0.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3fd6 h GLU 339 CO -0.02 0.50 -0.73 -0.84 -1.18 0.00 0.00 179.01 176.74 3fd6 h ILE 340 N 0.00 1.48 0.11 2.32 -0.00 -1.41 -2.94 117.51 117.08 3fd6 h ILE 340 Ca -0.02 -2.40 -0.21 0.00 -0.00 0.00 0.00 64.86 62.24 3fd6 h ILE 340 Cb 1.41 2.29 0.02 0.00 -0.00 0.00 0.00 36.82 40.55 3fd6 h ILE 340 CO 0.07 0.69 -0.88 0.50 -0.00 0.00 0.00 178.15 178.53 3fd6 h LYS 341 N 0.06 0.39 -2.21 0.16 3.64 -1.49 0.51 116.57 117.64 3fd6 h LYS 341 Ca -0.02 -0.58 -0.59 0.00 -1.27 0.00 0.00 60.65 58.20 3fd6 h LYS 341 Cb 1.29 0.20 -0.41 0.00 -0.41 0.00 0.00 32.23 32.90 3fd6 h LYS 341 CO 0.10 1.25 -0.74 0.43 -2.27 0.00 0.00 179.45 178.22 3fd6 n SER 342 N -4.07 2.61 -0.05 4.20 7.64 -0.89 -3.82 113.62 119.25 3fd6 n SER 342 Ca -0.13 -3.19 -0.00 0.00 1.01 0.00 0.00 58.87 56.55 3fd6 n SER 342 Cb 0.83 -0.66 -0.00 0.00 -1.01 0.00 0.00 64.21 63.37 3fd6 n SER 342 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3fd6 h PRO 343 N 4.26 0.00 0.00 1.43 0.11 -1.73 -3.43 132.00 132.64 3fd6 h PRO 343 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3fd6 h PRO 343 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3fd6 h PRO 343 CO 0.71 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.59 3fd6 n GLU 347 N -4.57 0.00 -3.21 1.05 2.13 -1.26 -5.13 120.64 109.65 3fd6 n GLU 347 Ca -0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.52 3fd6 n GLU 347 Cb 0.02 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.69 3fd6 n GLU 347 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3fd6 s GLY 348 N -0.17 1.93 -0.00 8.31 0.00 -1.25 -5.00 107.32 111.14 3fd6 s GLY 348 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 3fd6 s GLY 348 CO 0.00 -0.29 -0.01 0.30 0.00 0.00 0.00 173.10 173.10 3fd6 s HIS 349 N -2.13 0.14 0.50 1.90 3.76 0.17 -4.87 115.29 114.76 3fd6 s HIS 349 Ca 0.46 -0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 55.13 3fd6 s HIS 349 Cb -0.11 -0.10 -0.06 0.00 1.11 0.00 0.00 32.58 33.42 3fd6 s HIS 349 CO 0.29 -0.01 1.21 -1.14 -0.85 0.00 0.00 174.74 174.24 3fd6 s GLN 350 N 0.01 3.50 0.17 1.40 0.74 -1.26 -3.07 119.66 121.16 3fd6 s GLN 350 Ca 0.00 1.86 0.03 0.00 0.05 0.00 0.00 55.36 57.30 3fd6 s GLN 350 Cb -0.01 -2.28 -0.05 0.00 1.10 0.00 0.00 33.01 31.77 3fd6 s GLN 350 CO -0.00 -0.79 -0.03 0.00 -0.55 0.00 0.00 175.29 173.92 3fd6 s ALA 351 N -1.52 1.43 0.03 1.58 0.00 -1.26 -4.67 121.76 117.34 3fd6 s ALA 351 Ca 0.68 -1.58 0.05 0.00 0.00 0.00 0.00 51.96 51.11 3fd6 s ALA 351 Cb -0.31 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 3fd6 s ALA 351 CO 0.36 -0.25 -0.16 -1.58 0.00 0.00 0.00 175.76 174.13 3fd6 s TRP 352 N -3.54 1.39 -0.30 0.00 0.51 -0.79 -5.00 118.94 111.21 3fd6 s TRP 352 Ca 0.22 -0.33 -0.28 0.00 -2.12 0.00 0.00 56.10 53.59 3fd6 s TRP 352 Cb 0.05 -0.84 0.01 0.00 -0.81 0.00 0.00 33.47 31.88 3fd6 s TRP 352 CO 0.03 0.03 1.04 0.42 -0.51 0.00 0.00 176.95 177.96 3fd6 s ILE 353 N -0.69 4.57 -0.06 2.03 -1.09 -1.26 -2.08 121.20 122.61 3fd6 s ILE 353 Ca 0.04 1.73 0.04 0.00 -2.23 0.00 0.00 60.65 60.23 3fd6 s ILE 353 Cb -0.07 -4.37 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 3fd6 s ILE 353 CO 0.01 -0.40 0.10 2.30 -1.23 0.00 0.00 174.94 175.72 3fd6 n ILE 354 N 5.74 0.00 -3.66 2.92 -5.35 -0.44 -4.83 119.36 113.73 3fd6 n ILE 354 Ca 0.11 -0.21 -0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3fd6 n ILE 354 Cb 0.47 0.63 0.01 0.00 -1.74 0.00 0.00 39.64 39.01 3fd6 n ILE 354 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fd6 n GLY 355 N 1.85 0.93 3.30 3.28 0.00 -1.24 0.23 105.19 113.53 3fd6 n GLY 355 Ca -0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 3fd6 n GLY 355 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fd6 s ILE 356 N -2.33 1.65 -0.17 -0.61 1.10 0.35 -0.85 121.20 120.34 3fd6 s ILE 356 Ca 0.08 -1.81 -0.07 0.00 -0.51 0.00 0.00 60.65 58.34 3fd6 s ILE 356 Cb -0.01 -1.71 -0.04 0.00 0.15 0.00 0.00 42.46 40.85 3fd6 s ILE 356 CO 0.01 -0.32 0.06 -0.69 -2.11 0.00 0.00 174.94 171.90 3fd6 s VAL 357 N -1.98 4.82 0.15 4.00 1.01 -0.48 -1.38 120.40 126.54 3fd6 s VAL 357 Ca 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3fd6 s VAL 357 Cb -0.06 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3fd6 s VAL 357 CO 0.05 0.48 -0.03 -1.83 0.00 0.00 0.00 175.10 173.78 3fd6 s GLU 358 N 0.19 1.04 0.23 2.72 -1.05 -0.60 0.47 118.70 121.69 3fd6 s GLU 358 Ca 0.05 -1.48 -0.32 0.00 -0.15 0.00 0.00 54.97 53.07 3fd6 s GLU 358 Cb -0.12 -0.29 -0.13 0.00 -0.44 0.00 0.00 34.13 33.15 3fd6 s GLU 358 CO 0.00 -0.08 1.55 1.63 0.95 0.00 0.00 175.26 179.31 3fd6 n LYS 359 N -0.19 2.34 -0.67 -4.83 5.02 -1.26 -0.05 118.16 118.53 3fd6 n LYS 359 Ca -0.08 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3fd6 n LYS 359 Cb 0.62 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 3fd6 n LYS 359 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fd6 n GLY 360 N 2.75 1.57 1.84 0.72 0.00 -0.92 -4.47 105.19 106.68 3fd6 n GLY 360 Ca 0.13 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 3fd6 n GLY 360 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fd6 n ASN 361 N -0.22 4.86 -3.32 1.61 6.94 -1.25 -3.36 115.26 120.52 3fd6 n ASN 361 Ca 0.00 -3.78 -0.16 0.00 -0.02 0.00 0.00 54.58 50.62 3fd6 n ASN 361 Cb 0.00 -0.59 0.09 0.00 -2.36 0.00 0.00 39.78 36.92 3fd6 n ASN 361 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3fd6 n ARG 362 N -0.89 -6.35 -4.47 -3.83 1.74 0.20 -4.95 116.66 98.12 3fd6 n ARG 362 Ca 0.46 0.81 -0.22 0.00 -0.77 0.00 0.00 57.85 58.12 3fd6 n ARG 362 Cb 0.91 -5.71 -0.11 0.00 -1.02 0.00 0.00 32.46 26.54 3fd6 n ARG 362 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3fd6 s THR 363 N -3.34 1.29 0.08 0.55 -4.23 -1.25 -3.62 115.64 105.12 3fd6 s THR 363 Ca 0.02 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.59 3fd6 s THR 363 Cb -0.01 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 3fd6 s THR 363 CO 0.69 -0.00 -0.17 0.00 -0.54 0.00 0.00 174.62 174.60 3fd6 s ALA 364 N -3.22 1.41 -0.12 3.99 0.00 -1.26 -0.41 121.76 122.14 3fd6 s ALA 364 Ca 0.36 -1.07 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 3fd6 s ALA 364 Cb 0.09 -0.16 0.06 0.00 0.00 0.00 0.00 23.12 23.10 3fd6 s ALA 364 CO 0.16 0.25 0.58 -0.98 0.00 0.00 0.00 175.76 175.76 3fd6 s ARG 365 N -1.73 0.83 0.15 0.00 1.70 -0.61 -4.86 118.95 114.42 3fd6 s ARG 365 Ca 0.01 0.44 -0.07 0.00 -0.47 0.00 0.00 55.73 55.65 3fd6 s ARG 365 Cb -0.10 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 3fd6 s ARG 365 CO 0.03 -0.19 0.42 0.42 -1.08 0.00 0.00 175.30 174.89 3fd6 s ILE 366 N -0.54 5.10 0.91 4.99 1.01 -1.26 -2.10 121.20 129.32 3fd6 s ILE 366 Ca -0.06 0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 3fd6 s ILE 366 Cb -0.03 -3.63 0.14 0.00 0.01 0.00 0.00 42.46 38.95 3fd6 s ILE 366 CO 0.05 0.07 1.09 0.27 0.00 0.00 0.00 174.94 176.42 3fd6 s ILE 367 N -1.64 2.58 0.26 2.92 -4.36 -1.02 -4.91 121.20 115.03 3fd6 s ILE 367 Ca 0.41 0.19 -0.02 0.00 -0.26 0.00 0.00 60.65 60.97 3fd6 s ILE 367 Cb -0.12 -2.66 0.24 0.00 1.25 0.00 0.00 42.46 41.17 3fd6 s ILE 367 CO 0.23 -0.25 1.82 0.44 0.24 0.00 0.00 174.94 177.42 3fd6 h ASP 368 N -1.61 0.76 -3.23 4.36 5.19 -1.97 -3.32 116.42 116.59 3fd6 h ASP 368 Ca -0.50 0.05 -0.60 0.00 -0.62 0.00 0.00 57.03 55.36 3fd6 h ASP 368 Cb 1.29 -0.10 -0.40 0.00 0.18 0.00 0.00 39.33 40.30 3fd6 h ASP 368 CO 0.54 0.42 -0.76 -0.54 -3.12 0.00 0.00 179.24 175.78 3fd6 s LYS 369 N -6.00 1.00 0.47 3.56 1.02 -1.26 -5.13 119.74 113.40 3fd6 s LYS 369 Ca -0.12 -1.65 -0.21 0.00 0.02 0.00 0.00 55.97 54.01 3fd6 s LYS 369 Cb 0.21 -2.03 -0.08 0.00 -0.52 0.00 0.00 37.83 35.40 3fd6 s LYS 369 CO 0.79 -1.13 1.05 -2.14 -0.92 0.00 0.00 175.35 173.00 3fd6 s PRO 370 N 0.80 3.84 -0.06 -1.68 0.02 -1.25 -5.01 135.00 131.65 3fd6 s PRO 370 Ca 0.16 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.32 3fd6 s PRO 370 Cb -0.23 -2.20 -0.02 0.00 0.02 0.00 0.00 34.50 32.07 3fd6 s PRO 370 CO -0.05 -0.41 0.95 0.50 -0.33 0.00 0.00 177.00 177.66 3fd6 s ARG 371 N -3.05 4.47 -0.42 5.54 3.52 -1.07 -4.92 118.95 123.01 3fd6 s ARG 371 Ca 0.65 1.32 -0.16 0.00 -0.13 0.00 0.00 55.73 57.42 3fd6 s ARG 371 Cb -0.19 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.73 3fd6 s ARG 371 CO 0.23 -0.17 0.36 0.42 -0.81 0.00 0.00 175.30 175.33 3fd6 s ILE 372 N 1.50 5.20 -0.25 4.11 -1.09 -1.26 0.08 121.20 129.49 3fd6 s ILE 372 Ca 0.48 -0.62 -0.26 0.00 -2.23 0.00 0.00 60.65 58.02 3fd6 s ILE 372 Cb -0.19 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 3fd6 s ILE 372 CO 0.22 -0.39 0.88 -0.63 -1.23 0.00 0.00 174.94 173.79 3fd6 s ILE 373 N 1.83 4.78 -0.43 2.92 1.01 0.95 -4.94 121.20 127.32 3fd6 s ILE 373 Ca 0.07 1.64 -0.21 0.00 0.00 0.00 0.00 60.65 62.15 3fd6 s ILE 373 Cb -0.19 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.12 3fd6 s ILE 373 CO 0.11 -0.14 0.65 -1.61 0.00 0.00 0.00 174.94 173.95 3fd6 s GLU 374 N 2.98 3.32 -0.42 2.79 0.41 -1.26 0.28 118.70 126.80 3fd6 s GLU 374 Ca 0.37 -0.32 -0.15 0.00 -0.41 0.00 0.00 54.97 54.46 3fd6 s GLU 374 Cb -0.15 -3.94 0.03 0.00 -1.78 0.00 0.00 34.13 28.30 3fd6 s GLU 374 CO 0.08 -1.00 0.32 0.08 -0.49 0.00 0.00 175.26 174.25 3fd6 s VAL 375 N 2.85 5.25 0.53 2.63 1.01 -0.50 -4.81 120.40 127.35 3fd6 s VAL 375 Ca 0.23 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 3fd6 s VAL 375 Cb -0.14 -3.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 3fd6 s VAL 375 CO 0.19 -0.37 1.06 0.00 0.00 0.00 0.00 175.10 175.98 3fd6 s ALA 376 N 1.67 2.80 -1.46 5.51 0.00 -1.26 -2.07 121.76 126.94 3fd6 s ALA 376 Ca 0.05 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3fd6 s ALA 376 Cb -0.20 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3fd6 s ALA 376 CO 0.09 -0.55 0.37 -2.30 0.00 0.00 0.00 175.76 173.37