#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f2o n TYR 31 N 0.00 0.00 -2.62 2.11 4.01 -1.26 -4.97 117.16 114.43 3f2o n TYR 31 Ca 0.00 -1.01 -0.36 0.00 -0.16 0.00 0.00 57.90 56.37 3f2o n TYR 31 Cb 0.00 -0.20 -0.05 0.00 -0.31 0.00 0.00 39.34 38.78 3f2o n TYR 31 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3f2o s LYS 33 N -2.57 4.26 0.69 0.00 1.02 -1.26 -4.98 119.74 116.90 3f2o s LYS 33 Ca 0.58 2.28 -0.17 0.00 0.02 0.00 0.00 55.97 58.68 3f2o s LYS 33 Cb -0.19 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 3f2o s LYS 33 CO 0.24 -0.48 0.50 -2.30 -0.92 0.00 0.00 175.35 172.39 3f2o n PRO 34 N 3.14 0.33 -0.20 -1.68 -0.02 -1.26 -4.75 135.00 130.57 3f2o n PRO 34 Ca 0.10 0.15 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 3f2o n PRO 34 Cb 0.40 -1.78 0.03 0.00 -0.02 0.00 0.00 33.50 32.13 3f2o n PRO 34 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3f2o h THR 35 N -0.25 1.18 -0.98 3.45 2.02 -2.00 -1.87 112.91 114.46 3f2o h THR 35 Ca -0.45 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 66.35 3f2o h THR 35 Cb 1.36 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 68.14 3f2o h THR 35 CO 0.43 0.19 0.63 0.03 0.37 0.00 0.00 175.52 177.17 3f2o h ARG 36 N 0.77 1.10 -0.39 6.66 3.08 -1.99 -1.36 114.38 122.25 3f2o h ARG 36 Ca 0.20 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 3f2o h ARG 36 Cb 0.02 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3f2o h ARG 36 CO -0.03 0.73 -0.12 1.25 -1.07 0.00 0.00 179.97 180.72 3f2o h LEU 37 N 1.14 0.79 -0.88 3.04 5.85 -1.78 -0.52 115.31 122.94 3f2o h LEU 37 Ca 0.42 -0.38 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3f2o h LEU 37 Cb 0.17 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3f2o h LEU 37 CO -0.17 0.99 0.52 0.44 -0.34 0.00 0.00 178.44 179.87 3f2o h ASP 38 N 0.59 0.76 -0.12 1.25 3.32 -1.03 -0.36 116.42 120.82 3f2o h ASP 38 Ca 0.10 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 3f2o h ASP 38 Cb 0.66 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3f2o h ASP 38 CO 0.04 0.42 -0.06 0.25 -1.72 0.00 0.00 179.24 178.18 3f2o h LEU 39 N 0.86 0.27 -0.59 1.55 5.85 -0.82 -0.52 115.31 121.91 3f2o h LEU 39 Ca 0.43 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3f2o h LEU 39 Cb 0.40 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3f2o h LEU 39 CO -0.25 0.62 0.36 0.25 -0.34 0.00 0.00 178.44 179.07 3f2o h LEU 40 N -0.09 0.71 -1.19 2.25 6.46 -0.85 -2.84 115.31 119.77 3f2o h LEU 40 Ca 0.03 -0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.65 3f2o h LEU 40 Cb 0.52 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3f2o h LEU 40 CO 0.02 0.56 -0.32 -0.07 -0.62 0.00 0.00 178.44 178.01 3f2o h LEU 41 N 0.80 0.14 -0.58 2.25 3.38 -0.71 -2.37 115.31 118.22 3f2o h LEU 41 Ca 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3f2o h LEU 41 Cb -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3f2o h LEU 41 CO -0.04 0.46 0.00 0.44 0.09 0.00 0.00 178.44 179.39 3f2o h ASP 42 N 0.12 0.00 -4.17 -0.43 3.32 -0.87 -3.44 116.42 110.95 3f2o h ASP 42 Ca 0.02 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.57 3f2o h ASP 42 Cb 0.64 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.26 3f2o h ASP 42 CO 0.05 0.00 0.39 -0.04 -1.72 0.00 0.00 179.24 177.91 3f2o s MET 43 N -3.34 3.26 0.41 3.56 -1.94 -0.89 -4.99 119.30 115.36 3f2o s MET 43 Ca 0.05 1.33 -0.25 0.00 -1.71 0.00 0.00 55.69 55.11 3f2o s MET 43 Cb 0.09 -2.02 -0.08 0.00 2.01 0.00 0.00 34.83 34.83 3f2o s MET 43 CO 0.56 -0.87 1.22 -1.25 -0.01 0.00 0.00 175.02 174.67 3f2o s PRO 44 N -3.86 4.00 0.54 2.03 0.04 -1.26 -4.97 135.00 131.51 3f2o s PRO 44 Ca 0.66 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 63.46 3f2o s PRO 44 Cb -0.18 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.61 3f2o s PRO 44 CO 0.34 -0.41 1.26 -1.25 0.04 0.00 0.00 177.00 176.99 3f2o s PRO 45 N -2.29 3.23 0.98 0.56 0.04 -1.26 -4.93 135.00 131.33 3f2o s PRO 45 Ca 0.57 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 63.50 3f2o s PRO 45 Cb -0.34 -2.19 0.18 0.00 0.04 0.00 0.00 34.50 32.20 3f2o s PRO 45 CO 0.43 -1.04 1.12 0.14 0.04 0.00 0.00 177.00 177.68 3f2o s VAL 46 N -1.45 2.07 0.88 -0.36 -7.23 0.26 -5.01 120.40 109.57 3f2o s VAL 46 Ca 0.72 0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 60.79 3f2o s VAL 46 Cb -0.34 -2.06 0.12 0.00 0.56 0.00 0.00 36.38 34.66 3f2o s VAL 46 CO 0.40 -0.03 1.13 -0.94 -0.31 0.00 0.00 175.10 175.35 3f2o s SER 47 N -2.64 3.74 0.30 4.85 1.04 -1.26 -4.76 113.70 114.98 3f2o s SER 47 Ca 0.67 1.01 0.03 0.00 0.48 0.00 0.00 55.95 58.14 3f2o s SER 47 Cb -0.23 -1.61 0.63 0.00 0.10 0.00 0.00 66.02 64.91 3f2o s SER 47 CO 0.60 -2.41 1.83 0.22 0.98 0.00 0.00 173.24 174.46 3f2o h TYR 48 N -1.40 1.08 -0.62 5.02 3.20 -1.99 -0.52 116.97 121.75 3f2o h TYR 48 Ca -0.50 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.42 3f2o h TYR 48 Cb 1.32 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 3f2o h TYR 48 CO 0.32 0.40 0.40 -0.44 -1.64 0.00 0.00 178.16 177.20 3f2o h ASP 49 N 0.91 0.68 0.58 -2.11 3.32 -2.00 -0.25 116.42 117.56 3f2o h ASP 49 Ca 0.50 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.37 3f2o h ASP 49 Cb 0.59 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3f2o h ASP 49 CO -0.27 0.49 -0.75 0.58 -1.72 0.00 0.00 179.24 177.58 3f2o h VAL 50 N 0.81 1.48 -0.85 -1.35 2.07 -1.57 -2.89 116.25 113.95 3f2o h VAL 50 Ca 0.23 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 3f2o h VAL 50 Cb -0.07 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3f2o h VAL 50 CO -0.06 0.69 0.50 1.56 0.02 0.00 0.00 177.57 180.29 3f2o h GLN 51 N 0.08 1.15 -0.27 1.57 4.20 -0.50 -1.87 115.11 119.47 3f2o h GLN 51 Ca -0.02 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 3f2o h GLN 51 Cb 1.31 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 3f2o h GLN 51 CO 0.11 0.82 -0.06 1.25 -0.67 0.00 0.00 178.83 180.27 3f2o h LEU 52 N 1.17 0.41 -1.82 1.46 5.85 -0.94 -1.53 115.31 119.89 3f2o h LEU 52 Ca 0.30 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 3f2o h LEU 52 Cb -0.04 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3f2o h LEU 52 CO -0.06 0.52 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.35 3f2o h LEU 53 N 0.41 0.00 -2.09 2.25 3.38 -1.13 -2.87 115.31 115.26 3f2o h LEU 53 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3f2o h LEU 53 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3f2o h LEU 53 CO 0.02 0.15 0.00 1.41 0.09 0.00 0.00 178.44 180.10 3f2o n HIS 54 N -3.84 0.23 -1.54 1.13 8.25 -0.91 -4.42 115.22 114.13 3f2o n HIS 54 Ca -0.02 -0.22 -0.21 0.00 -0.26 0.00 0.00 57.72 57.01 3f2o n HIS 54 Cb 0.24 -0.01 0.15 0.00 1.12 0.00 0.00 29.99 31.50 3f2o n HIS 54 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3f2o n SER 55 N 0.67 -0.24 -4.70 0.41 3.41 -0.63 -4.10 113.62 108.45 3f2o n SER 55 Ca 0.10 -1.29 -0.43 0.00 -0.26 0.00 0.00 58.87 56.99 3f2o n SER 55 Cb 0.37 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 3f2o n SER 55 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3f2o n TRP 56 N -3.48 2.44 -3.03 7.33 5.03 -1.26 -0.60 117.44 123.87 3f2o n TRP 56 Ca 0.12 0.37 -0.43 0.00 3.03 0.00 0.00 57.50 60.58 3f2o n TRP 56 Cb 0.42 -2.51 -0.05 0.00 -1.03 0.00 0.00 31.31 28.13 3f2o n TRP 56 CO 0.00 0.00 0.00 1.21 -0.03 0.00 0.00 177.69 178.87 3f2o s ASN 57 N 0.35 6.28 0.06 -0.99 3.84 0.27 -4.70 114.94 120.04 3f2o s ASN 57 Ca 0.66 -0.65 0.15 0.00 0.21 0.00 0.00 52.86 53.24 3f2o s ASN 57 Cb -0.59 -2.35 0.65 0.00 -0.55 0.00 0.00 41.25 38.42 3f2o s ASN 57 CO 0.50 -1.01 1.48 -3.20 -2.79 0.00 0.00 177.10 172.08 3f2o n ASN 58 N 6.67 0.14 -1.15 -4.21 5.15 -1.26 -0.86 115.26 119.74 3f2o n ASN 58 Ca -0.03 0.54 0.09 0.00 -0.60 0.00 0.00 54.58 54.58 3f2o n ASN 58 Cb 0.46 -0.57 0.27 0.00 -0.53 0.00 0.00 39.78 39.42 3f2o n ASN 58 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3f2o n ASN 59 N -1.66 3.83 -3.16 1.20 3.02 -1.26 -4.59 115.26 112.64 3f2o n ASN 59 Ca 0.03 -2.19 -0.22 0.00 -0.03 0.00 0.00 54.58 52.16 3f2o n ASN 59 Cb 0.16 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 3f2o n ASN 59 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3f2o n ASP 60 N 0.98 0.03 -3.80 6.41 2.03 -0.04 -5.11 116.55 117.05 3f2o n ASP 60 Ca 0.20 -2.76 -0.12 0.00 0.52 0.00 0.00 54.79 52.64 3f2o n ASP 60 Cb 0.65 -0.48 -0.08 0.00 -0.72 0.00 0.00 41.12 40.49 3f2o n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3f2o s ARG 61 N -1.17 0.71 0.32 -0.67 1.70 -1.25 -1.71 118.95 116.88 3f2o s ARG 61 Ca 0.35 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.86 3f2o s ARG 61 Cb 0.19 0.30 -0.12 0.00 -0.57 0.00 0.00 34.95 34.76 3f2o s ARG 61 CO -0.12 -0.21 1.53 0.45 -1.08 0.00 0.00 175.30 175.88 3f2o n SER 62 N 0.87 3.69 0.00 -2.89 2.88 -0.70 -4.91 113.62 112.55 3f2o n SER 62 Ca -0.20 1.18 0.06 0.00 -1.33 0.00 0.00 58.87 58.58 3f2o n SER 62 Cb 0.58 -1.58 0.29 0.00 -0.75 0.00 0.00 64.21 62.75 3f2o n SER 62 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3f2o n LEU 63 N 1.52 0.00 -0.28 2.46 4.77 -1.26 -2.25 117.00 121.96 3f2o n LEU 63 Ca 0.06 0.40 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 3f2o n LEU 63 Cb 0.37 -0.40 0.65 0.00 -2.33 0.00 0.00 43.42 41.71 3f2o n LEU 63 CO 0.64 -0.23 0.93 0.59 -1.33 0.00 0.00 177.39 177.99 3f2o n ASN 64 N -1.40 0.87 -4.50 -1.43 3.02 -1.26 -4.81 115.26 105.76 3f2o n ASN 64 Ca 0.04 -1.36 -0.25 0.00 -0.03 0.00 0.00 54.58 52.99 3f2o n ASN 64 Cb 0.12 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 3f2o n ASN 64 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3f2o s VAL 65 N -1.97 2.39 -0.06 2.41 -7.23 -0.95 -0.88 120.40 114.10 3f2o s VAL 65 Ca 0.39 -2.34 -0.14 0.00 -1.81 0.00 0.00 61.98 58.09 3f2o s VAL 65 Cb 0.20 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.74 3f2o s VAL 65 CO 0.32 -0.33 0.33 0.72 -0.31 0.00 0.00 175.10 175.83 3f2o s PHE 66 N -2.55 -0.27 0.21 2.82 -0.12 -0.14 -4.86 117.98 113.08 3f2o s PHE 66 Ca 0.31 0.55 -0.30 0.00 -0.05 0.00 0.00 56.93 57.44 3f2o s PHE 66 Cb -0.02 0.11 -0.08 0.00 -0.63 0.00 0.00 43.02 42.40 3f2o s PHE 66 CO 0.16 -0.31 1.16 0.08 -0.05 0.00 0.00 175.22 176.26 3f2o s VAL 67 N -0.71 3.56 0.12 -2.49 1.01 -1.26 -0.76 120.40 119.87 3f2o s VAL 67 Ca -0.08 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 3f2o s VAL 67 Cb -0.04 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 3f2o s VAL 67 CO 0.03 0.25 1.13 -0.54 0.00 0.00 0.00 175.10 175.97 3f2o s LYS 68 N -0.61 4.52 0.31 2.72 -0.14 0.11 -4.92 119.74 121.74 3f2o s LYS 68 Ca 0.50 1.72 0.03 0.00 -1.36 0.00 0.00 55.97 56.86 3f2o s LYS 68 Cb -0.32 -3.32 0.53 0.00 -1.68 0.00 0.00 37.83 33.04 3f2o s LYS 68 CO 0.38 -0.07 1.82 0.93 -0.76 0.00 0.00 175.35 177.65 3f2o h GLU 69 N 5.91 0.53 -0.01 1.68 4.39 -1.94 -2.76 114.58 122.38 3f2o h GLU 69 Ca -0.43 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.13 3f2o h GLU 69 Cb 1.21 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3f2o h GLU 69 CO 0.76 0.61 -0.38 -0.40 -1.16 0.00 0.00 179.01 178.44 3f2o n ASP 70 N -4.23 1.14 -3.23 1.42 5.75 -1.26 -4.59 116.55 111.55 3f2o n ASP 70 Ca 0.01 -0.92 -0.03 0.00 -0.01 0.00 0.00 54.79 53.85 3f2o n ASP 70 Cb 0.30 0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.63 3f2o n ASP 70 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3f2o s ASP 71 N -2.61 -0.61 0.00 -1.12 -1.08 -1.05 -5.04 116.67 105.16 3f2o s ASP 71 Ca 0.20 -0.10 0.18 0.00 -0.52 0.00 0.00 52.55 52.30 3f2o s ASP 71 Cb 0.19 1.57 1.04 0.00 -1.46 0.00 0.00 42.92 44.26 3f2o s ASP 71 CO 0.58 -0.33 1.62 0.29 0.52 0.00 0.00 175.17 177.85 3f2o n LYS 72 N 5.39 0.92 0.00 4.34 5.02 -1.15 -1.91 118.16 130.77 3f2o n LYS 72 Ca 0.03 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 3f2o n LYS 72 Cb 0.52 -1.30 0.36 0.00 -0.02 0.00 0.00 35.03 34.59 3f2o n LYS 72 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3f2o n LEU 73 N -0.80 1.03 -4.31 -0.35 4.32 -1.26 -4.34 117.00 111.29 3f2o n LEU 73 Ca 0.13 -0.26 -0.31 0.00 -0.02 0.00 0.00 56.01 55.54 3f2o n LEU 73 Cb 0.06 -0.12 -0.16 0.00 -1.62 0.00 0.00 43.42 41.58 3f2o n LEU 73 CO 0.10 0.19 -0.55 -0.63 -1.22 0.00 0.00 177.39 175.28 3f2o s ILE 74 N -2.53 2.21 0.24 -0.08 1.01 -0.80 -0.81 121.20 120.43 3f2o s ILE 74 Ca 0.23 -1.03 0.10 0.00 0.00 0.00 0.00 60.65 59.95 3f2o s ILE 74 Cb 0.19 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 3f2o s ILE 74 CO 0.53 0.57 -0.07 0.72 0.00 0.00 0.00 174.94 176.70 3f2o s PHE 75 N -0.37 2.61 -0.06 3.97 -0.12 -0.79 -0.71 117.98 122.51 3f2o s PHE 75 Ca 0.03 -0.24 0.06 0.00 -0.05 0.00 0.00 56.93 56.73 3f2o s PHE 75 Cb -0.12 -1.20 -0.01 0.00 -0.63 0.00 0.00 43.02 41.06 3f2o s PHE 75 CO 0.02 0.59 -0.24 -1.58 -0.05 0.00 0.00 175.22 173.96 3f2o s HIS 76 N -2.11 2.45 -0.25 3.49 5.65 0.06 -1.86 115.29 122.72 3f2o s HIS 76 Ca 0.29 -0.67 -0.10 0.00 0.25 0.00 0.00 55.06 54.83 3f2o s HIS 76 Cb -0.07 -1.60 -0.05 0.00 -1.18 0.00 0.00 32.58 29.68 3f2o s HIS 76 CO 0.17 -0.18 0.15 0.50 -0.65 0.00 0.00 174.74 174.74 3f2o s ARG 77 N -0.22 3.97 0.44 2.88 3.52 -0.51 -0.97 118.95 128.06 3f2o s ARG 77 Ca -0.02 -0.32 -0.25 0.00 -0.13 0.00 0.00 55.73 55.01 3f2o s ARG 77 Cb -0.13 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.63 3f2o s ARG 77 CO 0.03 -0.05 1.30 0.72 -0.81 0.00 0.00 175.30 176.50 3f2o n HIS 78 N 4.60 2.23 -1.09 5.12 8.25 -0.06 -0.55 115.22 133.72 3f2o n HIS 78 Ca -0.15 0.48 -0.32 0.00 -0.26 0.00 0.00 57.72 57.47 3f2o n HIS 78 Cb 0.52 -2.39 -0.02 0.00 1.12 0.00 0.00 29.99 29.22 3f2o n HIS 78 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3f2o n PRO 79 N -0.09 2.71 -2.96 -0.41 -0.04 -1.26 -4.54 135.00 128.40 3f2o n PRO 79 Ca 0.07 -1.89 -0.41 0.00 -0.04 0.00 0.00 63.50 61.23 3f2o n PRO 79 Cb 0.40 -2.71 -0.04 0.00 -0.04 0.00 0.00 33.50 31.11 3f2o n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3f2o s VAL 80 N 3.08 4.95 0.37 0.52 1.01 -1.26 -4.95 120.40 124.12 3f2o s VAL 80 Ca 0.53 1.53 -0.26 0.00 0.00 0.00 0.00 61.98 63.78 3f2o s VAL 80 Cb 0.14 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3f2o s VAL 80 CO -0.03 0.11 1.14 0.00 0.00 0.00 0.00 175.10 176.32 3f2o s ALA 81 N 1.65 3.21 -1.18 5.51 0.00 -1.26 -3.82 121.76 125.87 3f2o s ALA 81 Ca 0.37 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 3f2o s ALA 81 Cb -0.17 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3f2o s ALA 81 CO 0.15 -0.39 0.83 1.04 0.00 0.00 0.00 175.76 177.38 3f2o n GLN 82 N 0.33 -3.64 -3.76 0.00 1.13 -1.26 -4.92 117.38 105.25 3f2o n GLN 82 Ca 0.03 0.70 -0.12 0.00 -1.94 0.00 0.00 57.00 55.66 3f2o n GLN 82 Cb 0.46 -5.26 -0.12 0.00 0.11 0.00 0.00 30.24 25.43 3f2o n GLN 82 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3f2o s SER 83 N -3.90 -0.28 -0.12 1.08 0.15 -1.15 -1.81 113.70 107.68 3f2o s SER 83 Ca 0.23 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.44 3f2o s SER 83 Cb -0.05 0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3f2o s SER 83 CO 0.79 -0.12 -0.19 -0.89 1.20 0.00 0.00 173.24 174.02 3f2o s THR 84 N 0.60 2.43 -0.03 6.45 2.01 -0.64 -4.60 115.64 121.86 3f2o s THR 84 Ca -0.04 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.10 3f2o s THR 84 Cb -0.05 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.49 3f2o s THR 84 CO -0.04 0.54 -0.08 -1.81 -0.69 0.00 0.00 174.62 172.55 3f2o s ASP 85 N 0.46 1.12 0.30 3.53 1.01 -0.28 -1.38 116.67 121.42 3f2o s ASP 85 Ca -0.13 -0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.01 3f2o s ASP 85 Cb -0.17 -0.35 -0.06 0.00 1.01 0.00 0.00 42.92 43.35 3f2o s ASP 85 CO 0.06 0.04 -0.02 0.00 0.21 0.00 0.00 175.17 175.45 3f2o s ALA 86 N 0.35 2.44 -0.10 5.23 0.00 0.20 -0.72 121.76 129.16 3f2o s ALA 86 Ca -0.05 -1.99 -0.16 0.00 0.00 0.00 0.00 51.96 49.76 3f2o s ALA 86 Cb -0.10 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.37 3f2o s ALA 86 CO 0.01 -0.14 0.41 -1.50 0.00 0.00 0.00 175.76 174.53 3f2o s ILE 87 N -3.05 0.02 0.05 0.00 2.07 -1.20 -1.73 121.20 117.36 3f2o s ILE 87 Ca 0.32 -0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.41 3f2o s ILE 87 Cb 0.06 -0.63 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 3f2o s ILE 87 CO 0.13 -0.09 0.13 -0.13 -1.91 0.00 0.00 174.94 173.08 3f2o s ARG 88 N -0.43 3.16 0.86 3.50 0.52 -0.69 -3.62 118.95 122.25 3f2o s ARG 88 Ca -0.06 -0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 54.51 3f2o s ARG 88 Cb -0.03 -2.89 0.11 0.00 0.52 0.00 0.00 34.95 32.66 3f2o s ARG 88 CO 0.03 0.60 1.15 0.20 0.02 0.00 0.00 175.30 177.30 3f2o s GLY 89 N -2.30 1.78 0.56 -3.53 0.00 -0.12 -0.56 107.32 103.15 3f2o s GLY 89 Ca 0.30 0.58 0.32 0.00 0.00 0.00 0.00 44.72 45.92 3f2o s GLY 89 CO 0.23 0.98 2.10 0.50 0.00 0.00 0.00 173.10 176.91 3f2o h LYS 90 N -1.51 0.00 -5.27 2.90 1.57 -1.00 -3.41 116.57 109.84 3f2o h LYS 90 Ca -0.44 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.67 3f2o h LYS 90 Cb 1.27 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.26 3f2o h LYS 90 CO 0.44 0.07 -0.84 0.08 -0.57 0.00 0.00 179.45 178.64 3f2o s VAL 91 N -4.03 2.39 -0.27 0.50 1.01 -1.26 -5.02 120.40 113.73 3f2o s VAL 91 Ca -0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 3f2o s VAL 91 Cb 0.12 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3f2o s VAL 91 CO 0.54 0.54 0.31 -0.83 0.00 0.00 0.00 175.10 175.66 3f2o s GLY 92 N 0.54 1.91 0.09 4.51 0.00 -1.26 -4.47 107.32 108.64 3f2o s GLY 92 Ca -0.12 -0.88 -0.17 0.00 0.00 0.00 0.00 44.72 43.55 3f2o s GLY 92 CO 0.04 0.84 0.54 -0.19 0.00 0.00 0.00 173.10 174.34 3f2o s TYR 93 N 1.88 3.73 0.00 1.90 2.02 0.41 -4.68 117.35 122.61 3f2o s TYR 93 Ca 0.12 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 58.00 3f2o s TYR 93 Cb -0.16 -2.43 0.00 0.00 -0.40 0.00 0.00 41.96 38.97 3f2o s TYR 93 CO 0.10 0.54 0.00 0.25 -1.57 0.00 0.00 175.55 174.87 3f2o n THR 94 N 1.42 0.00 -3.69 -0.71 -2.24 -1.26 -1.23 114.28 106.57 3f2o n THR 94 Ca -0.09 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 3f2o n THR 94 Cb 0.51 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 3f2o n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f2o s ARG 95 N -1.38 1.13 0.00 -0.78 1.70 -1.26 -4.74 118.95 113.63 3f2o s ARG 95 Ca 0.00 -0.78 0.00 0.00 -0.47 0.00 0.00 55.73 54.48 3f2o s ARG 95 Cb 0.00 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 3f2o s ARG 95 CO 0.00 -0.45 0.00 0.41 -1.08 0.00 0.00 175.30 174.18 3f2o n GLY 96 N -0.24 -1.24 3.73 3.88 0.00 -1.26 -4.76 105.19 105.30 3f2o n GLY 96 Ca -0.14 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 3f2o n GLY 96 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f2o s LEU 97 N -2.82 4.20 -0.05 0.99 2.96 -0.10 -1.15 118.68 122.71 3f2o s LEU 97 Ca 0.00 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3f2o s LEU 97 Cb 0.00 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.61 3f2o s LEU 97 CO 0.00 0.17 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.09 3f2o s HIS 98 N 0.40 1.29 -0.08 5.38 3.76 0.05 -0.57 115.29 125.53 3f2o s HIS 98 Ca 0.08 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 3f2o s HIS 98 Cb -0.11 -0.93 0.02 0.00 1.11 0.00 0.00 32.58 32.67 3f2o s HIS 98 CO -0.02 -0.19 -0.10 0.08 -0.85 0.00 0.00 174.74 173.67 3f2o s VAL 99 N 0.41 1.01 0.11 -0.90 1.01 -0.73 -0.85 120.40 120.46 3f2o s VAL 99 Ca -0.09 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3f2o s VAL 99 Cb -0.13 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3f2o s VAL 99 CO 0.02 0.34 -0.16 -1.66 0.00 0.00 0.00 175.10 173.64 3f2o s TRP 100 N 1.06 1.49 -0.15 5.22 -2.14 -0.60 -0.74 118.94 123.08 3f2o s TRP 100 Ca -0.07 -0.49 -0.12 0.00 2.66 0.00 0.00 56.10 58.08 3f2o s TRP 100 Cb -0.14 -0.80 -0.05 0.00 -3.10 0.00 0.00 33.47 29.38 3f2o s TRP 100 CO -0.01 0.16 0.23 -1.14 -2.66 0.00 0.00 176.95 173.53 3f2o s GLN 101 N -2.27 4.10 -0.12 3.25 0.74 0.50 -0.74 119.66 125.12 3f2o s GLN 101 Ca 0.06 0.00 -0.05 0.00 0.05 0.00 0.00 55.36 55.42 3f2o s GLN 101 Cb -0.07 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 3f2o s GLN 101 CO 0.03 0.37 0.07 0.42 -0.55 0.00 0.00 175.29 175.63 3f2o s ILE 102 N 0.11 4.87 -0.14 -2.34 -1.09 -0.21 -0.54 121.20 121.85 3f2o s ILE 102 Ca 0.14 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 3f2o s ILE 102 Cb -0.13 -3.11 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 3f2o s ILE 102 CO 0.03 0.58 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.28 3f2o s THR 103 N -0.63 1.56 -0.27 2.92 2.01 -0.01 -2.04 115.64 119.18 3f2o s THR 103 Ca 0.11 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.46 3f2o s THR 103 Cb -0.12 -1.46 0.11 0.00 0.01 0.00 0.00 72.50 71.04 3f2o s THR 103 CO 0.02 0.46 0.20 0.86 -0.69 0.00 0.00 174.62 175.47 3f2o s TRP 104 N 1.44 -0.07 0.22 4.92 -0.11 0.14 -1.12 118.94 124.35 3f2o s TRP 104 Ca 0.04 -0.41 -0.32 0.00 1.22 0.00 0.00 56.10 56.63 3f2o s TRP 104 Cb -0.13 -0.64 -0.13 0.00 -1.50 0.00 0.00 33.47 31.07 3f2o s TRP 104 CO -0.10 -0.81 1.62 0.00 -4.62 0.00 0.00 176.95 173.04 3f2o n ALA 105 N 5.29 2.18 -0.30 5.86 0.00 -1.26 -4.46 120.51 127.81 3f2o n ALA 105 Ca -0.04 0.41 0.08 0.00 0.00 0.00 0.00 53.44 53.88 3f2o n ALA 105 Cb 0.45 -2.44 0.19 0.00 0.00 0.00 0.00 19.45 17.65 3f2o n ALA 105 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3f2o h MET 106 N 5.81 0.05 0.00 0.00 4.05 -1.90 -0.39 114.93 122.54 3f2o h MET 106 Ca -0.45 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 3f2o h MET 106 Cb 1.23 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 3f2o h MET 106 CO 0.88 0.03 0.00 2.89 0.23 0.00 0.00 176.91 180.94 3f2o n ARG 107 N -5.45 0.51 -0.45 0.39 1.85 -1.26 -2.51 116.66 109.74 3f2o n ARG 107 Ca 0.17 0.03 0.07 0.00 -1.00 0.00 0.00 57.85 57.12 3f2o n ARG 107 Cb 0.55 -1.50 0.17 0.00 -1.05 0.00 0.00 32.46 30.64 3f2o n ARG 107 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3f2o n GLN 108 N -1.08 1.36 -0.07 2.89 6.02 -0.16 -4.72 117.38 121.62 3f2o n GLN 108 Ca 0.13 -2.92 -0.16 0.00 -0.01 0.00 0.00 57.00 54.03 3f2o n GLN 108 Cb 0.09 -1.47 -0.14 0.00 1.02 0.00 0.00 30.24 29.74 3f2o n GLN 108 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3f2o n ARG 109 N -1.13 0.69 0.00 -1.09 1.74 -1.04 -4.67 116.66 111.15 3f2o n ARG 109 Ca 0.17 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 3f2o n ARG 109 Cb 0.69 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3f2o n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f2o n GLY 110 N 2.00 0.07 0.12 -0.13 0.00 -1.26 -3.95 105.19 102.04 3f2o n GLY 110 Ca -0.36 -0.94 0.06 0.00 0.00 0.00 0.00 46.02 44.78 3f2o n GLY 110 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f2o h THR 111 N 0.00 0.33 -2.84 2.61 1.35 -1.98 -3.44 112.91 108.95 3f2o h THR 111 Ca 0.00 -1.57 -0.54 0.00 -0.55 0.00 0.00 66.41 63.75 3f2o h THR 111 Cb 0.00 1.91 -0.40 0.00 -1.73 0.00 0.00 68.15 67.93 3f2o h THR 111 CO 0.00 0.19 -0.78 -1.00 -0.25 0.00 0.00 175.52 173.68 3f2o s HIS 112 N -3.12 0.58 -0.29 4.73 3.76 -1.25 -5.00 115.29 114.71 3f2o s HIS 112 Ca 0.00 -1.08 0.03 0.00 -0.15 0.00 0.00 55.06 53.86 3f2o s HIS 112 Cb 0.08 -1.04 0.08 0.00 1.11 0.00 0.00 32.58 32.81 3f2o s HIS 112 CO 0.78 -0.84 -0.03 0.00 -0.85 0.00 0.00 174.74 173.80 3f2o s ALA 113 N 1.94 2.48 -0.05 -1.40 0.00 -1.26 -3.93 121.76 119.54 3f2o s ALA 113 Ca 0.10 -1.94 0.04 0.00 0.00 0.00 0.00 51.96 50.16 3f2o s ALA 113 Cb -0.17 -1.69 -0.00 0.00 0.00 0.00 0.00 23.12 21.26 3f2o s ALA 113 CO -0.32 -1.40 -0.18 0.08 0.00 0.00 0.00 175.76 173.94 3f2o s VAL 114 N 1.13 1.52 0.01 0.00 1.01 -1.05 -1.45 120.40 121.57 3f2o s VAL 114 Ca -0.00 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3f2o s VAL 114 Cb -0.19 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3f2o s VAL 114 CO -0.08 0.44 -0.15 0.54 0.00 0.00 0.00 175.10 175.85 3f2o s VAL 115 N 0.15 1.21 0.00 2.92 0.11 -0.29 -1.54 120.40 122.97 3f2o s VAL 115 Ca -0.07 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 3f2o s VAL 115 Cb -0.13 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 3f2o s VAL 115 CO 0.03 0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.61 3f2o n GLY 116 N 2.31 -0.87 3.14 6.54 0.00 -0.91 0.69 105.19 116.10 3f2o n GLY 116 Ca -0.16 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 3f2o n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f2o s VAL 117 N -3.90 0.49 0.06 1.61 -7.23 -0.53 -2.21 120.40 108.69 3f2o s VAL 117 Ca 0.00 -1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 58.20 3f2o s VAL 117 Cb 0.00 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 3f2o s VAL 117 CO 0.00 -0.89 0.17 0.00 -0.31 0.00 0.00 175.10 174.07 3f2o s ALA 118 N -3.76 -0.23 0.79 1.32 0.00 -0.24 -1.17 121.76 118.47 3f2o s ALA 118 Ca 0.11 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 3f2o s ALA 118 Cb 0.06 0.34 0.08 0.00 0.00 0.00 0.00 23.12 23.60 3f2o s ALA 118 CO -0.06 -0.40 1.15 0.95 0.00 0.00 0.00 175.76 177.39 3f2o s THR 119 N -3.06 2.06 -0.35 0.00 -4.23 -0.50 -0.22 115.64 109.35 3f2o s THR 119 Ca -0.01 -0.04 0.19 0.00 -1.18 0.00 0.00 61.69 60.65 3f2o s THR 119 Cb 0.01 -3.01 0.19 0.00 1.34 0.00 0.00 72.50 71.04 3f2o s THR 119 CO -0.07 -0.01 1.59 0.00 -0.54 0.00 0.00 174.62 175.60 3f2o n ALA 120 N -3.25 1.15 0.94 3.99 0.00 -1.26 -2.66 120.51 119.43 3f2o n ALA 120 Ca 0.08 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.79 3f2o n ALA 120 Cb 0.61 -1.29 0.20 0.00 0.00 0.00 0.00 19.45 18.97 3f2o n ALA 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f2o n ASP 121 N -2.15 0.56 -4.77 0.00 8.00 -1.26 -4.94 116.55 111.98 3f2o n ASP 121 Ca -0.01 -0.27 -0.41 0.00 0.71 0.00 0.00 54.79 54.82 3f2o n ASP 121 Cb 0.06 0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 3f2o n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f2o s ALA 122 N -3.02 3.47 0.58 2.24 0.00 -1.09 -4.98 121.76 118.96 3f2o s ALA 122 Ca 0.10 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.11 3f2o s ALA 122 Cb 0.17 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3f2o s ALA 122 CO 0.72 -0.63 1.19 -1.25 0.00 0.00 0.00 175.76 175.79 3f2o s PRO 123 N -1.82 3.08 0.00 0.00 0.04 -1.26 -4.96 135.00 130.08 3f2o s PRO 123 Ca 0.49 1.78 0.18 0.00 0.04 0.00 0.00 61.00 63.49 3f2o s PRO 123 Cb -0.39 -1.95 0.33 0.00 0.04 0.00 0.00 34.50 32.52 3f2o s PRO 123 CO 0.52 -1.11 1.26 1.28 0.04 0.00 0.00 177.00 178.99 3f2o n LEU 124 N -1.50 3.06 -3.66 -3.56 4.77 -1.26 -4.91 117.00 109.93 3f2o n LEU 124 Ca 0.13 -1.48 -0.14 0.00 -0.03 0.00 0.00 56.01 54.48 3f2o n LEU 124 Cb 0.50 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 3f2o n LEU 124 CO 0.44 0.66 0.26 -2.28 -1.33 0.00 0.00 177.39 175.14 3f2o s HIS 125 N -1.30 -0.57 0.09 -1.77 5.04 -1.26 0.61 115.29 116.14 3f2o s HIS 125 Ca 0.30 1.27 0.04 0.00 -1.54 0.00 0.00 55.06 55.13 3f2o s HIS 125 Cb 0.18 0.23 -0.03 0.00 0.04 0.00 0.00 32.58 33.00 3f2o s HIS 125 CO 0.25 -0.37 -0.11 0.45 -2.34 0.00 0.00 174.74 172.62 3f2o s SER 126 N -0.21 1.50 0.61 9.88 0.15 -0.48 -4.99 113.70 120.16 3f2o s SER 126 Ca -0.04 -0.77 -0.14 0.00 0.70 0.00 0.00 55.95 55.70 3f2o s SER 126 Cb -0.03 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 3f2o s SER 126 CO 0.03 -0.22 1.05 0.68 1.20 0.00 0.00 173.24 175.98 3f2o s VAL 127 N -2.18 4.02 0.01 4.45 -7.23 -1.26 -1.62 120.40 116.59 3f2o s VAL 127 Ca 0.04 0.85 0.00 0.00 -1.81 0.00 0.00 61.98 61.06 3f2o s VAL 127 Cb -0.05 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.43 3f2o s VAL 127 CO 0.01 -0.67 0.00 0.61 -0.31 0.00 0.00 175.10 174.74 3f2o n GLY 128 N -1.46 -1.69 3.18 2.32 0.00 -0.75 -4.74 105.19 102.05 3f2o n GLY 128 Ca 0.08 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 3f2o n GLY 128 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f2o s TYR 129 N -0.11 3.18 0.20 1.61 2.02 -1.26 -2.53 117.35 120.45 3f2o s TYR 129 Ca 0.00 -1.75 -0.00 0.00 -0.37 0.00 0.00 57.07 54.94 3f2o s TYR 129 Cb 0.00 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 3f2o s TYR 129 CO 0.00 -0.77 0.10 0.95 -1.57 0.00 0.00 175.55 174.26 3f2o s THR 130 N 1.28 0.20 -1.24 -0.71 -4.23 -1.26 -5.01 115.64 104.67 3f2o s THR 130 Ca -0.03 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 3f2o s THR 130 Cb -0.18 -2.44 0.19 0.00 1.34 0.00 0.00 72.50 71.40 3f2o s THR 130 CO -0.03 -0.10 1.70 0.35 -0.54 0.00 0.00 174.62 176.00 3f2o n THR 131 N -0.29 4.43 -0.29 3.99 -2.24 -1.26 -4.83 114.28 113.79 3f2o n THR 131 Ca -0.00 -4.67 -0.05 0.00 -2.27 0.00 0.00 64.05 57.06 3f2o n THR 131 Cb 0.66 -2.37 0.07 0.00 -2.10 0.00 0.00 70.33 66.59 3f2o n THR 131 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3f2o h LEU 132 N 8.06 1.00 -8.87 3.22 5.85 -1.95 -2.97 115.31 119.65 3f2o h LEU 132 Ca 0.35 -0.11 -0.57 0.00 0.84 0.00 0.00 57.88 58.39 3f2o h LEU 132 Cb 0.70 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3f2o h LEU 132 CO 1.48 0.83 0.94 -0.69 -0.34 0.00 0.00 178.44 180.65 3f2o s VAL 133 N -5.80 4.23 0.00 1.05 1.01 -1.26 -3.04 120.40 116.59 3f2o s VAL 133 Ca -0.13 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.21 3f2o s VAL 133 Cb 0.15 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3f2o s VAL 133 CO 0.81 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3f2o n GLY 134 N 4.42 0.31 0.00 4.51 0.00 -1.25 -4.16 105.19 109.02 3f2o n GLY 134 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 3f2o n GLY 134 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f2o n ASN 135 N 0.00 0.00 -3.17 1.61 3.02 -1.12 -0.49 115.26 115.11 3f2o n ASN 135 Ca 0.00 -1.20 -0.13 0.00 -0.03 0.00 0.00 54.58 53.22 3f2o n ASN 135 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 3f2o n ASN 135 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3f2o s ASN 136 N -1.70 0.73 0.00 6.41 2.20 -1.26 -3.87 114.94 117.45 3f2o s ASN 136 Ca 0.28 -1.42 0.29 0.00 -0.94 0.00 0.00 52.86 51.08 3f2o s ASN 136 Cb 0.13 0.71 1.58 0.00 -2.00 0.00 0.00 41.25 41.67 3f2o s ASN 136 CO 0.22 -1.39 2.04 1.57 -2.94 0.00 0.00 177.10 176.60 3f2o n HIS 137 N -0.56 0.00 0.14 1.54 -0.00 -1.26 0.21 115.22 115.28 3f2o n HIS 137 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.78 3f2o n HIS 137 Cb 0.61 -0.17 0.13 0.00 -0.00 0.00 0.00 29.99 30.56 3f2o n HIS 137 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3f2o n GLU 138 N -1.17 2.00 -3.80 1.57 -0.58 -1.26 -4.91 120.64 112.49 3f2o n GLU 138 Ca 0.17 -1.81 -0.10 0.00 -0.42 0.00 0.00 57.16 55.00 3f2o n GLU 138 Cb 0.18 -1.31 -0.07 0.00 -0.57 0.00 0.00 31.44 29.67 3f2o n GLU 138 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3f2o s SER 139 N -1.08 -0.00 -0.04 1.62 1.04 -1.24 -1.41 113.70 112.60 3f2o s SER 139 Ca 0.24 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 3f2o s SER 139 Cb 0.14 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.63 3f2o s SER 139 CO 0.19 -0.68 0.04 0.26 0.98 0.00 0.00 173.24 174.03 3f2o s TRP 140 N -3.25 0.12 0.02 5.02 0.51 -0.31 -3.94 118.94 117.11 3f2o s TRP 140 Ca 0.00 0.17 0.01 0.00 -2.12 0.00 0.00 56.10 54.17 3f2o s TRP 140 Cb 0.02 -0.44 -0.01 0.00 -0.81 0.00 0.00 33.47 32.23 3f2o s TRP 140 CO -0.08 -0.17 -0.05 0.20 -0.51 0.00 0.00 176.95 176.34 3f2o s GLY 141 N 1.78 0.31 -0.22 0.98 0.00 -0.12 -1.45 107.32 108.59 3f2o s GLY 141 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 44.72 44.22 3f2o s GLY 141 CO -0.03 -0.44 0.05 0.86 0.00 0.00 0.00 173.10 173.54 3f2o s TRP 142 N -0.70 3.11 -0.44 1.90 -0.00 0.22 -0.77 118.94 122.25 3f2o s TRP 142 Ca -0.04 -0.31 -0.26 0.00 -0.00 0.00 0.00 56.10 55.48 3f2o s TRP 142 Cb -0.06 -2.17 0.02 0.00 -0.00 0.00 0.00 33.47 31.27 3f2o s TRP 142 CO -0.00 -0.22 0.95 0.34 -0.00 0.00 0.00 176.95 178.02 3f2o s ASP 143 N 1.22 6.56 0.37 5.86 -1.08 0.74 -1.14 116.67 129.19 3f2o s ASP 143 Ca 0.04 0.28 0.27 0.00 -0.52 0.00 0.00 52.55 52.62 3f2o s ASP 143 Cb -0.14 -2.47 1.08 0.00 -1.46 0.00 0.00 42.92 39.93 3f2o s ASP 143 CO 0.03 -1.02 1.81 -0.07 0.52 0.00 0.00 175.17 176.44 3f2o h LEU 144 N 10.51 0.00 0.04 -1.34 3.38 -1.56 -0.33 115.31 126.02 3f2o h LEU 144 Ca -0.24 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.38 3f2o h LEU 144 Cb 1.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3f2o h LEU 144 CO 1.03 0.00 -2.12 0.61 0.09 0.00 0.00 178.44 178.04 3f2o n GLY 145 N 0.16 -0.69 0.00 0.83 0.00 -1.26 -4.52 105.19 99.70 3f2o n GLY 145 Ca 0.02 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.94 3f2o n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f2o n ARG 146 N -3.19 0.00 -3.74 1.61 1.74 -1.17 -4.98 116.66 106.93 3f2o n ARG 146 Ca -0.32 -0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.53 3f2o n ARG 146 Cb 1.05 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 31.03 3f2o n ARG 146 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3f2o n ASN 147 N -1.50 -1.76 -4.15 0.55 3.02 -0.14 -4.93 115.26 106.35 3f2o n ASN 147 Ca 0.05 -0.82 -0.16 0.00 -0.03 0.00 0.00 54.58 53.62 3f2o n ASN 147 Cb 0.33 -4.01 -0.11 0.00 -0.61 0.00 0.00 39.78 35.38 3f2o n ASN 147 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3f2o s ARG 148 N -6.10 0.77 -0.05 3.52 1.81 -1.17 -1.22 118.95 116.50 3f2o s ARG 148 Ca 0.11 -1.00 0.01 0.00 -1.72 0.00 0.00 55.73 53.13 3f2o s ARG 148 Cb -0.06 -0.60 -0.03 0.00 -0.45 0.00 0.00 34.95 33.81 3f2o s ARG 148 CO 0.82 0.12 -0.05 -0.51 -0.68 0.00 0.00 175.30 174.99 3f2o s LEU 149 N -1.99 3.27 0.00 2.53 1.43 -0.25 -0.19 118.68 123.48 3f2o s LEU 149 Ca -0.01 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3f2o s LEU 149 Cb -0.07 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3f2o s LEU 149 CO 0.01 0.34 -0.06 -0.31 0.23 0.00 0.00 176.35 176.56 3f2o s TYR 150 N -0.88 0.56 -0.28 0.29 2.02 0.05 -3.40 117.35 115.71 3f2o s TYR 150 Ca 0.14 -0.15 -0.23 0.00 -0.37 0.00 0.00 57.07 56.47 3f2o s TYR 150 Cb -0.11 -0.35 0.09 0.00 -0.40 0.00 0.00 41.96 41.18 3f2o s TYR 150 CO 0.04 -0.02 0.80 -1.58 -1.57 0.00 0.00 175.55 173.22 3f2o s HIS 151 N -0.28 -0.75 -1.68 2.71 5.65 -1.05 -0.95 115.29 118.94 3f2o s HIS 151 Ca 0.01 1.74 -0.12 0.00 0.25 0.00 0.00 55.06 56.94 3f2o s HIS 151 Cb -0.03 0.36 0.12 0.00 -1.18 0.00 0.00 32.58 31.85 3f2o s HIS 151 CO -0.00 -0.37 0.43 -3.47 -0.65 0.00 0.00 174.74 170.68 3f2o n ASP 152 N 2.95 -1.07 0.00 9.88 -0.08 0.13 -4.56 116.55 123.79 3f2o n ASP 152 Ca -0.15 -1.18 0.08 0.00 -1.51 0.00 0.00 54.79 52.03 3f2o n ASP 152 Cb 0.56 -2.04 0.40 0.00 2.34 0.00 0.00 41.12 42.38 3f2o n ASP 152 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3f2o n GLY 153 N -1.73 -0.87 0.59 0.27 0.00 0.36 0.40 105.19 104.21 3f2o n GLY 153 Ca -0.09 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3f2o n GLY 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f2o n LYS 154 N -1.33 1.77 0.00 1.61 5.02 -1.26 -4.17 118.16 119.81 3f2o n LYS 154 Ca 0.07 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.20 3f2o n LYS 154 Cb 0.14 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3f2o n LYS 154 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3f2o n ASN 155 N 0.39 4.57 -4.46 4.39 4.13 0.16 -5.11 115.26 119.32 3f2o n ASN 155 Ca 0.17 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.19 3f2o n ASN 155 Cb 0.35 0.46 -0.10 0.00 -1.54 0.00 0.00 39.78 38.95 3f2o n ASN 155 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3f2o s GLN 156 N -1.91 1.64 -0.14 3.52 -1.52 -0.88 -5.14 119.66 115.22 3f2o s GLN 156 Ca 0.00 -1.80 -0.07 0.00 -1.95 0.00 0.00 55.36 51.55 3f2o s GLN 156 Cb 0.00 -1.51 -0.04 0.00 -0.22 0.00 0.00 33.01 31.24 3f2o s GLN 156 CO 0.00 0.18 0.09 -1.25 -0.25 0.00 0.00 175.29 174.06 3f2o s PRO 157 N -3.61 3.62 1.04 2.91 0.04 -1.26 -4.63 135.00 133.11 3f2o s PRO 157 Ca 0.29 -0.26 -0.12 0.00 0.04 0.00 0.00 61.00 60.95 3f2o s PRO 157 Cb -0.00 -3.15 0.18 0.00 0.04 0.00 0.00 34.50 31.57 3f2o s PRO 157 CO 0.13 0.54 0.86 -1.13 0.04 0.00 0.00 177.00 177.45 3f2o n SER 158 N 2.70 -1.07 -3.99 6.66 3.41 -1.26 -5.02 113.62 115.05 3f2o n SER 158 Ca -0.18 0.14 -0.18 0.00 -0.26 0.00 0.00 58.87 58.39 3f2o n SER 158 Cb 0.53 -1.30 -0.15 0.00 -0.26 0.00 0.00 64.21 63.03 3f2o n SER 158 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3f2o s LYS 159 N -4.26 0.69 0.33 4.33 2.20 -1.22 -4.94 119.74 116.87 3f2o s LYS 159 Ca 0.65 -0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.71 3f2o s LYS 159 Cb -0.22 -0.67 -0.10 0.00 -1.51 0.00 0.00 37.83 35.33 3f2o s LYS 159 CO 0.63 0.13 1.24 0.99 -0.36 0.00 0.00 175.35 177.98 3f2o s THR 160 N -0.01 2.95 -0.15 3.43 2.01 -1.26 -1.09 115.64 121.52 3f2o s THR 160 Ca 0.00 0.94 -0.12 0.00 0.31 0.00 0.00 61.69 62.82 3f2o s THR 160 Cb -0.05 -3.59 0.04 0.00 0.01 0.00 0.00 72.50 68.91 3f2o s THR 160 CO -0.00 0.21 0.38 -0.47 -0.69 0.00 0.00 174.62 174.05 3f2o s TYR 161 N -1.17 -0.46 0.77 4.92 5.04 -0.36 -4.07 117.35 122.02 3f2o s TYR 161 Ca 0.49 1.08 -0.13 0.00 -2.44 0.00 0.00 57.07 56.06 3f2o s TYR 161 Cb -0.37 0.17 0.06 0.00 0.35 0.00 0.00 41.96 42.17 3f2o s TYR 161 CO 0.49 -0.24 1.16 -1.25 -1.34 0.00 0.00 175.55 174.37 3f2o s PRO 162 N 0.59 1.98 0.54 4.97 0.04 -1.26 -4.36 135.00 137.50 3f2o s PRO 162 Ca -0.03 1.58 0.22 0.00 0.04 0.00 0.00 61.00 62.81 3f2o s PRO 162 Cb -0.05 -1.83 1.44 0.00 0.04 0.00 0.00 34.50 34.10 3f2o s PRO 162 CO -0.04 -1.92 2.12 0.00 0.04 0.00 0.00 177.00 177.21 3f2o h ALA 163 N -0.73 2.02 0.00 8.56 0.00 -1.81 -2.88 119.26 124.42 3f2o h ALA 163 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3f2o h ALA 163 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3f2o h ALA 163 CO 0.49 -0.20 0.00 1.97 0.00 0.00 0.00 179.25 181.51 3f2o n PHE 164 N -4.29 0.00 -2.25 0.00 -1.74 -1.26 -4.82 117.46 103.10 3f2o n PHE 164 Ca 0.01 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.49 3f2o n PHE 164 Cb 0.24 -0.34 -0.03 0.00 1.52 0.00 0.00 39.48 40.87 3f2o n PHE 164 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 3f2o s LEU 165 N -2.69 4.44 0.59 5.98 1.43 -1.09 -5.05 118.68 122.30 3f2o s LEU 165 Ca 0.21 2.43 -0.16 0.00 -1.03 0.00 0.00 54.13 55.57 3f2o s LEU 165 Cb 0.17 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 3f2o s LEU 165 CO 0.41 -0.46 1.07 -1.83 0.23 0.00 0.00 176.35 175.77 3f2o s GLU 166 N -0.68 3.27 0.51 1.70 4.04 -1.26 -4.99 118.70 121.30 3f2o s GLU 166 Ca 0.53 1.29 -0.21 0.00 0.04 0.00 0.00 54.97 56.62 3f2o s GLU 166 Cb -0.36 -2.02 -0.06 0.00 0.02 0.00 0.00 34.13 31.71 3f2o s GLU 166 CO 0.42 -0.86 1.21 -1.25 -1.84 0.00 0.00 175.26 172.94 3f2o s PRO 167 N -3.92 3.43 0.00 -4.83 0.04 -1.26 -1.98 135.00 126.48 3f2o s PRO 167 Ca 0.65 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3f2o s PRO 167 Cb -0.18 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3f2o s PRO 167 CO 0.35 -0.85 0.00 -0.40 0.04 0.00 0.00 177.00 176.14 3f2o n ASP 168 N -0.92 0.00 -4.77 6.66 5.68 -1.26 -4.98 116.55 116.97 3f2o n ASP 168 Ca 0.10 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.99 3f2o n ASP 168 Cb 0.48 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 3f2o n ASP 168 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3f2o s GLU 169 N 0.00 3.88 -0.16 0.11 2.12 -0.84 -4.92 118.70 118.89 3f2o s GLU 169 Ca 0.00 2.32 -0.29 0.00 0.36 0.00 0.00 54.97 57.35 3f2o s GLU 169 Cb 0.00 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 3f2o s GLU 169 CO 0.00 -0.62 1.44 0.99 -0.54 0.00 0.00 175.26 176.53 3f2o s THR 170 N -1.22 3.96 -0.25 -1.70 2.01 -1.26 -4.96 115.64 112.23 3f2o s THR 170 Ca 0.58 1.15 -0.02 0.00 0.31 0.00 0.00 61.69 63.70 3f2o s THR 170 Cb -0.41 -3.81 0.13 0.00 0.01 0.00 0.00 72.50 68.41 3f2o s THR 170 CO 0.54 -0.18 0.32 0.12 -0.69 0.00 0.00 174.62 174.72 3f2o s PHE 171 N 4.06 -0.60 -0.25 4.92 5.36 -1.26 -5.11 117.98 125.09 3f2o s PHE 171 Ca 0.63 0.34 -0.03 0.00 -0.96 0.00 0.00 56.93 56.91 3f2o s PHE 171 Cb -0.25 -0.23 0.02 0.00 -0.34 0.00 0.00 43.02 42.21 3f2o s PHE 171 CO 0.22 -0.77 -0.03 0.42 -1.46 0.00 0.00 175.22 173.60 3f2o s ILE 172 N 2.44 3.18 0.08 3.12 -1.09 -1.26 -4.91 121.20 122.76 3f2o s ILE 172 Ca 0.10 -0.88 -0.31 0.00 -2.23 0.00 0.00 60.65 57.33 3f2o s ILE 172 Cb -0.15 -2.60 -0.08 0.00 -1.58 0.00 0.00 42.46 38.05 3f2o s ILE 172 CO -0.21 0.20 1.53 -0.69 -1.23 0.00 0.00 174.94 174.54 3f2o s VAL 173 N 1.38 3.14 1.25 2.92 1.01 -1.26 -4.99 120.40 123.86 3f2o s VAL 173 Ca 0.01 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 3f2o s VAL 173 Cb -0.16 -3.45 0.31 0.00 0.00 0.00 0.00 36.38 33.08 3f2o s VAL 173 CO -0.03 0.02 1.07 -2.16 0.00 0.00 0.00 175.10 174.01 3f2o s PRO 174 N 1.95 -1.63 0.27 2.72 0.04 -1.26 -4.92 135.00 132.17 3f2o s PRO 174 Ca 0.69 -0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.66 3f2o s PRO 174 Cb -0.38 -1.55 0.39 0.00 0.04 0.00 0.00 34.50 33.00 3f2o s PRO 174 CO 0.30 -3.99 1.90 -0.44 0.04 0.00 0.00 177.00 174.82 3f2o h ASP 175 N -2.78 1.05 -3.63 6.66 3.32 -1.95 -3.43 116.42 115.67 3f2o h ASP 175 Ca -0.44 -0.00 -0.67 0.00 0.02 0.00 0.00 57.03 55.94 3f2o h ASP 175 Cb 1.30 -0.23 -0.17 0.00 0.22 0.00 0.00 39.33 40.45 3f2o h ASP 175 CO 0.32 0.70 -0.74 -0.44 -1.72 0.00 0.00 179.24 177.36 3f2o s SER 176 N -5.98 4.36 0.15 6.45 0.01 -1.26 -0.68 113.70 116.75 3f2o s SER 176 Ca -0.12 -0.34 -0.25 0.00 1.31 0.00 0.00 55.95 56.54 3f2o s SER 176 Cb 0.20 -0.86 0.06 0.00 0.21 0.00 0.00 66.02 65.63 3f2o s SER 176 CO 0.81 0.21 0.92 0.72 0.41 0.00 0.00 173.24 176.31 3f2o s PHE 177 N -1.13 -0.17 0.10 2.43 -0.12 -0.86 -4.69 117.98 113.53 3f2o s PHE 177 Ca 0.20 -0.12 0.07 0.00 -0.05 0.00 0.00 56.93 57.02 3f2o s PHE 177 Cb -0.11 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 3f2o s PHE 177 CO 0.11 -0.83 -0.11 -0.51 -0.05 0.00 0.00 175.22 173.83 3f2o s LEU 178 N -2.88 3.00 -0.10 -1.99 1.43 0.02 -1.05 118.68 117.12 3f2o s LEU 178 Ca 0.11 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3f2o s LEU 178 Cb -0.02 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3f2o s LEU 178 CO 0.01 0.19 -0.23 -0.69 0.23 0.00 0.00 176.35 175.85 3f2o s VAL 179 N -1.19 1.99 -0.22 -1.59 1.01 0.08 -1.40 120.40 119.09 3f2o s VAL 179 Ca 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3f2o s VAL 179 Cb -0.11 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.60 3f2o s VAL 179 CO 0.13 0.55 -0.06 0.00 0.00 0.00 0.00 175.10 175.72 3f2o s ALA 180 N 0.35 1.86 -0.28 5.51 0.00 0.99 -1.55 121.76 128.63 3f2o s ALA 180 Ca -0.18 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 3f2o s ALA 180 Cb -0.18 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 3f2o s ALA 180 CO 0.08 -1.06 0.14 -1.17 0.00 0.00 0.00 175.76 173.75 3f2o s LEU 181 N 1.45 3.84 -0.49 0.00 2.96 -0.03 -0.88 118.68 125.53 3f2o s LEU 181 Ca -0.04 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 3f2o s LEU 181 Cb -0.18 -2.01 0.13 0.00 0.50 0.00 0.00 46.19 44.63 3f2o s LEU 181 CO -0.07 -0.09 0.34 -0.62 -1.32 0.00 0.00 176.35 174.59 3f2o s ASP 182 N 1.66 5.57 0.07 3.68 -1.08 0.40 -0.77 116.67 126.21 3f2o s ASP 182 Ca 0.06 -2.11 0.25 0.00 -0.52 0.00 0.00 52.55 50.23 3f2o s ASP 182 Cb -0.16 -1.95 1.01 0.00 -1.46 0.00 0.00 42.92 40.36 3f2o s ASP 182 CO 0.07 -0.60 1.80 0.23 0.52 0.00 0.00 175.17 177.18 3f2o n MET 183 N 4.58 0.08 0.01 4.34 2.81 -0.30 0.35 117.12 128.99 3f2o n MET 183 Ca -0.03 0.13 -0.18 0.00 -1.81 0.00 0.00 57.70 55.81 3f2o n MET 183 Cb 0.41 -1.60 -0.14 0.00 -0.71 0.00 0.00 33.22 31.18 3f2o n MET 183 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3f2o h ASP 184 N 0.00 0.31 1.76 7.83 3.32 -1.88 -3.30 116.42 124.47 3f2o h ASP 184 Ca 0.00 -0.95 -0.05 0.00 0.02 0.00 0.00 57.03 56.05 3f2o h ASP 184 Cb 0.50 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3f2o h ASP 184 CO 0.00 1.24 -0.22 0.44 -1.72 0.00 0.00 179.24 178.98 3f2o h ASP 185 N -0.57 0.00 -2.43 6.45 3.32 -1.91 -3.48 116.42 117.81 3f2o h ASP 185 Ca -0.09 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 3f2o h ASP 185 Cb 1.40 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.98 3f2o h ASP 185 CO 0.10 0.22 -0.18 0.61 -1.72 0.00 0.00 179.24 178.27 3f2o n GLY 186 N 1.13 0.48 3.27 2.75 0.00 0.16 -4.71 105.19 108.27 3f2o n GLY 186 Ca 0.03 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 3f2o n GLY 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f2o s THR 187 N -3.08 1.61 -0.09 2.61 -4.23 0.16 -1.70 115.64 110.91 3f2o s THR 187 Ca 0.11 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 3f2o s THR 187 Cb -0.05 -1.50 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 3f2o s THR 187 CO 0.19 -0.13 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.70 3f2o s LEU 188 N -1.98 2.22 0.14 4.79 2.96 0.07 -0.45 118.68 126.44 3f2o s LEU 188 Ca 0.06 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3f2o s LEU 188 Cb -0.09 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 3f2o s LEU 188 CO 0.04 0.19 0.06 -0.44 -1.32 0.00 0.00 176.35 174.88 3f2o s SER 189 N 0.18 0.35 0.06 3.68 0.01 -0.06 -0.15 113.70 117.78 3f2o s SER 189 Ca -0.13 -1.23 0.03 0.00 1.31 0.00 0.00 55.95 55.93 3f2o s SER 189 Cb -0.16 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 3f2o s SER 189 CO 0.07 -0.73 -0.10 -0.36 0.41 0.00 0.00 173.24 172.53 3f2o s PHE 190 N -4.04 0.88 -0.05 2.43 0.08 -1.26 -0.01 117.98 116.02 3f2o s PHE 190 Ca 0.26 -0.55 0.02 0.00 0.12 0.00 0.00 56.93 56.78 3f2o s PHE 190 Cb 0.07 -0.51 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 3f2o s PHE 190 CO 0.03 -0.04 -0.08 0.42 -0.10 0.00 0.00 175.22 175.45 3f2o s ILE 191 N -1.72 0.80 -0.15 0.64 1.09 -0.50 -1.17 121.20 120.20 3f2o s ILE 191 Ca -0.04 -0.28 0.01 0.00 -1.10 0.00 0.00 60.65 59.24 3f2o s ILE 191 Cb -0.08 -0.77 0.02 0.00 -1.06 0.00 0.00 42.46 40.57 3f2o s ILE 191 CO 0.00 0.28 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.25 3f2o s VAL 192 N 0.79 1.83 -1.52 2.92 1.01 -0.47 -0.80 120.40 124.16 3f2o s VAL 192 Ca -0.13 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 3f2o s VAL 192 Cb -0.15 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.63 3f2o s VAL 192 CO 0.02 0.50 0.53 -0.67 0.00 0.00 0.00 175.10 175.48 3f2o n ASP 193 N 4.41 -1.34 0.00 3.32 2.03 -1.26 -0.19 116.55 123.53 3f2o n ASP 193 Ca -0.19 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.10 3f2o n ASP 193 Cb 0.51 -2.90 0.00 0.00 -0.72 0.00 0.00 41.12 38.01 3f2o n ASP 193 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3f2o n GLY 194 N -1.83 1.48 3.56 0.27 0.00 -1.26 -5.00 105.19 102.42 3f2o n GLY 194 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3f2o n GLY 194 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3f2o s GLN 195 N -0.08 3.89 0.22 1.61 2.00 0.74 -5.03 119.66 123.01 3f2o s GLN 195 Ca 0.00 -0.35 -0.30 0.00 -2.00 0.00 0.00 55.36 52.70 3f2o s GLN 195 Cb 0.00 -3.56 -0.10 0.00 0.80 0.00 0.00 33.01 30.15 3f2o s GLN 195 CO 0.00 -0.15 1.47 -0.47 -0.50 0.00 0.00 175.29 175.63 3f2o s TYR 196 N 1.64 3.04 -2.40 1.67 5.04 -1.26 -1.37 117.35 123.71 3f2o s TYR 196 Ca 0.07 0.93 0.22 0.00 -2.44 0.00 0.00 57.07 55.85 3f2o s TYR 196 Cb -0.16 -3.84 0.35 0.00 0.35 0.00 0.00 41.96 38.67 3f2o s TYR 196 CO 0.09 -2.82 1.33 -1.33 -1.34 0.00 0.00 175.55 171.47 3f2o n MET 197 N 2.79 2.35 0.00 4.97 2.81 -0.32 -4.87 117.12 124.86 3f2o n MET 197 Ca 0.09 -2.13 0.00 0.00 -1.81 0.00 0.00 57.70 53.84 3f2o n MET 197 Cb 0.40 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 3f2o n MET 197 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3f2o n GLY 198 N 1.36 -0.43 3.70 3.03 0.00 -1.26 -4.59 105.19 107.00 3f2o n GLY 198 Ca 0.17 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3f2o n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f2o s VAL 199 N -1.46 4.80 -0.19 1.61 1.01 -1.26 -3.99 120.40 120.92 3f2o s VAL 199 Ca 0.00 2.02 -0.17 0.00 0.00 0.00 0.00 61.98 63.83 3f2o s VAL 199 Cb 0.00 -4.30 -0.20 0.00 0.00 0.00 0.00 36.38 31.88 3f2o s VAL 199 CO 0.00 0.10 0.21 0.00 0.00 0.00 0.00 175.10 175.41 3f2o n ALA 200 N 4.29 0.84 -2.80 5.51 0.00 0.79 -4.98 120.51 124.17 3f2o n ALA 200 Ca 0.07 -0.56 -0.15 0.00 0.00 0.00 0.00 53.44 52.80 3f2o n ALA 200 Cb 0.50 -0.54 -0.12 0.00 0.00 0.00 0.00 19.45 19.29 3f2o n ALA 200 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3f2o s PHE 201 N -2.42 0.73 0.47 0.00 0.08 -1.01 -4.98 117.98 110.86 3f2o s PHE 201 Ca -0.28 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.39 3f2o s PHE 201 Cb 0.07 -0.44 -0.02 0.00 -0.57 0.00 0.00 43.02 42.06 3f2o s PHE 201 CO 0.63 -0.04 0.06 1.03 -0.10 0.00 0.00 175.22 176.79 3f2o s ARG 202 N -1.25 2.10 0.00 0.44 0.52 -1.26 -0.75 118.95 118.75 3f2o s ARG 202 Ca -0.06 -2.32 0.00 0.00 -0.52 0.00 0.00 55.73 52.83 3f2o s ARG 202 Cb -0.08 -1.15 0.00 0.00 0.52 0.00 0.00 34.95 34.24 3f2o s ARG 202 CO 0.01 -0.42 0.00 0.41 0.02 0.00 0.00 175.30 175.32 3f2o n GLY 203 N -1.13 0.71 0.55 -3.53 0.00 -0.69 -4.92 105.19 96.18 3f2o n GLY 203 Ca -0.14 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.28 3f2o n GLY 203 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f2o n LEU 204 N 0.00 2.14 -4.69 0.99 4.77 -0.86 -4.98 117.00 114.36 3f2o n LEU 204 Ca 0.00 -0.78 -0.43 0.00 -0.03 0.00 0.00 56.01 54.77 3f2o n LEU 204 Cb 0.24 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3f2o n LEU 204 CO 0.00 0.39 0.88 0.29 -1.33 0.00 0.00 177.39 177.62 3f2o n LYS 205 N 0.14 2.06 -0.33 3.23 5.02 -1.26 -2.82 118.16 124.20 3f2o n LYS 205 Ca 0.10 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 3f2o n LYS 205 Cb 0.48 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3f2o n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f2o n GLY 206 N 0.80 0.88 4.01 0.72 0.00 -1.26 -5.04 105.19 105.29 3f2o n GLY 206 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 3f2o n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f2o s LYS 207 N -0.55 2.60 -0.31 1.61 1.02 -1.13 -5.10 119.74 117.88 3f2o s LYS 207 Ca 0.00 -1.20 0.03 0.00 0.02 0.00 0.00 55.97 54.82 3f2o s LYS 207 Cb 0.00 -2.65 0.08 0.00 -0.52 0.00 0.00 37.83 34.74 3f2o s LYS 207 CO 0.00 -0.55 -0.01 0.21 -0.92 0.00 0.00 175.35 174.08 3f2o s LYS 208 N -4.55 1.73 -0.12 1.68 2.20 -1.26 -4.32 119.74 115.10 3f2o s LYS 208 Ca 0.57 -1.65 0.01 0.00 -0.36 0.00 0.00 55.97 54.55 3f2o s LYS 208 Cb -0.09 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 3f2o s LYS 208 CO 0.36 -0.80 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.88 3f2o s LEU 209 N 1.00 2.54 0.00 5.43 1.43 -0.37 -4.32 118.68 124.40 3f2o s LEU 209 Ca 0.03 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3f2o s LEU 209 Cb -0.19 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3f2o s LEU 209 CO -0.07 0.17 0.06 -0.31 0.23 0.00 0.00 176.35 176.43 3f2o s TYR 210 N 0.31 3.22 0.38 0.29 2.02 0.70 -0.45 117.35 123.82 3f2o s TYR 210 Ca -0.12 0.16 -0.27 0.00 -0.37 0.00 0.00 57.07 56.46 3f2o s TYR 210 Cb -0.16 -1.71 -0.10 0.00 -0.40 0.00 0.00 41.96 39.59 3f2o s TYR 210 CO 0.06 0.53 1.40 -2.14 -1.57 0.00 0.00 175.55 173.83 3f2o s PRO 211 N -1.75 4.08 0.05 -1.71 0.02 -1.26 -1.08 135.00 133.35 3f2o s PRO 211 Ca 0.22 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.46 3f2o s PRO 211 Cb -0.12 -2.91 0.03 0.00 0.02 0.00 0.00 34.50 31.53 3f2o s PRO 211 CO 0.14 -0.49 0.40 0.54 -0.33 0.00 0.00 177.00 177.26 3f2o s VAL 212 N -1.16 0.06 0.03 3.83 0.11 -0.94 -0.94 120.40 121.40 3f2o s VAL 212 Ca 0.54 -0.50 -0.03 0.00 -2.93 0.00 0.00 61.98 59.05 3f2o s VAL 212 Cb -0.43 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 3f2o s VAL 212 CO 0.57 -0.28 0.04 0.68 -3.33 0.00 0.00 175.10 172.78 3f2o s VAL 213 N -2.64 0.14 -0.09 2.04 -7.23 -1.24 -2.13 120.40 109.25 3f2o s VAL 213 Ca -0.04 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 3f2o s VAL 213 Cb -0.00 -0.83 0.01 0.00 0.56 0.00 0.00 36.38 36.11 3f2o s VAL 213 CO -0.04 -0.64 -0.20 -0.94 -0.31 0.00 0.00 175.10 172.97 3f2o s SER 214 N -2.08 2.63 0.17 4.85 1.04 -0.59 -3.24 113.70 116.48 3f2o s SER 214 Ca -0.06 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 55.98 3f2o s SER 214 Cb -0.02 -1.20 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 3f2o s SER 214 CO -0.04 0.11 -0.16 0.00 0.98 0.00 0.00 173.24 174.12 3f2o s ALA 215 N 0.50 1.90 0.00 5.32 0.00 0.10 -2.52 121.76 127.06 3f2o s ALA 215 Ca -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.30 3f2o s ALA 215 Cb -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.82 3f2o s ALA 215 CO 0.06 0.16 0.26 1.33 0.00 0.00 0.00 175.76 177.57 3f2o n VAL 216 N 0.16 0.00 -3.39 0.00 0.24 -1.25 -1.13 118.33 112.96 3f2o n VAL 216 Ca -0.12 -0.29 -0.38 0.00 -2.04 0.00 0.00 64.34 61.51 3f2o n VAL 216 Cb 0.58 1.38 -0.07 0.00 -1.47 0.00 0.00 33.84 34.26 3f2o n VAL 216 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3f2o s TRP 217 N -0.06 3.46 -0.01 6.34 -0.11 -1.26 -4.95 118.94 122.34 3f2o s TRP 217 Ca 0.00 0.74 -0.30 0.00 1.22 0.00 0.00 56.10 57.76 3f2o s TRP 217 Cb 0.00 -2.50 -0.08 0.00 -1.50 0.00 0.00 33.47 29.40 3f2o s TRP 217 CO 0.00 0.13 1.94 0.20 -4.62 0.00 0.00 176.95 174.60 3f2o s GLY 218 N 0.71 1.36 -0.44 5.86 0.00 -1.26 -1.81 107.32 111.73 3f2o s GLY 218 Ca 0.22 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.12 3f2o s GLY 218 CO 0.08 3.43 0.00 1.42 0.00 0.00 0.00 173.10 178.03 3f2o n HIS 219 N 7.96 0.00 -1.81 1.90 8.25 0.29 -4.88 115.22 126.94 3f2o n HIS 219 Ca 0.21 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.32 3f2o n HIS 219 Cb 0.42 -1.11 0.05 0.00 1.12 0.00 0.00 29.99 30.47 3f2o n HIS 219 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3f2o s GLU 221 N -3.69 0.95 -0.12 0.00 2.02 -1.26 -1.42 118.70 115.18 3f2o s GLU 221 Ca 0.73 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.68 3f2o s GLU 221 Cb -0.27 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 32.86 3f2o s GLU 221 CO 0.38 -0.22 -0.19 0.42 0.02 0.00 0.00 175.26 175.67 3f2o s ILE 222 N 1.57 1.78 -0.13 -1.63 1.09 -0.77 -4.50 121.20 118.61 3f2o s ILE 222 Ca -0.00 -0.82 -0.05 0.00 -1.10 0.00 0.00 60.65 58.68 3f2o s ILE 222 Cb -0.13 -1.59 -0.04 0.00 -1.06 0.00 0.00 42.46 39.64 3f2o s ILE 222 CO -0.04 0.50 0.07 -0.60 -0.10 0.00 0.00 174.94 174.76 3f2o s ARG 223 N 0.85 3.44 -0.13 2.79 3.52 -0.28 -1.88 118.95 127.25 3f2o s ARG 223 Ca -0.08 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3f2o s ARG 223 Cb -0.15 -3.06 0.02 0.00 -1.56 0.00 0.00 34.95 30.20 3f2o s ARG 223 CO -0.01 0.61 -0.15 1.41 -0.81 0.00 0.00 175.30 176.35 3f2o s MET 224 N -0.58 2.29 -0.29 5.12 -2.45 0.01 -0.83 119.30 122.57 3f2o s MET 224 Ca 0.11 -0.57 0.02 0.00 -1.25 0.00 0.00 55.69 54.01 3f2o s MET 224 Cb -0.12 -2.04 0.08 0.00 1.25 0.00 0.00 34.83 34.01 3f2o s MET 224 CO 0.02 -0.17 0.00 0.50 1.05 0.00 0.00 175.02 176.42 3f2o s ARG 225 N 1.30 1.54 0.19 4.11 3.52 0.29 -4.76 118.95 125.14 3f2o s ARG 225 Ca 0.01 -1.44 -0.32 0.00 -0.13 0.00 0.00 55.73 53.85 3f2o s ARG 225 Cb -0.14 -2.81 -0.12 0.00 -1.56 0.00 0.00 34.95 30.33 3f2o s ARG 225 CO -0.07 -0.79 1.74 0.98 -0.81 0.00 0.00 175.30 176.34 3f2o n TYR 226 N 4.48 2.70 -0.10 5.12 9.36 -1.26 -0.37 117.16 137.09 3f2o n TYR 226 Ca -0.04 0.01 -0.16 0.00 3.32 0.00 0.00 57.90 61.03 3f2o n TYR 226 Cb 0.42 -2.68 -0.07 0.00 -0.63 0.00 0.00 39.34 36.39 3f2o n TYR 226 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3f2o n LEU 227 N 4.28 1.87 -3.60 2.98 4.77 0.08 -4.58 117.00 122.81 3f2o n LEU 227 Ca 0.16 0.46 -0.04 0.00 -0.03 0.00 0.00 56.01 56.57 3f2o n LEU 227 Cb 0.35 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 3f2o n LEU 227 CO 0.64 0.02 0.98 0.21 -1.33 0.00 0.00 177.39 177.91 3f2o s ASN 228 N -6.49 -0.14 0.17 -1.43 3.84 -1.14 -0.57 114.94 109.18 3f2o s ASN 228 Ca -0.26 -0.04 0.08 0.00 0.21 0.00 0.00 52.86 52.85 3f2o s ASN 228 Cb 0.06 0.18 -0.04 0.00 -0.55 0.00 0.00 41.25 40.90 3f2o s ASN 228 CO 0.43 -0.31 -0.18 -0.83 -2.79 0.00 0.00 177.10 173.43 3f2o s GLY 229 N -2.40 1.41 -0.07 1.21 0.00 -1.26 -1.78 107.32 104.43 3f2o s GLY 229 Ca 0.10 -1.53 0.03 0.00 0.00 0.00 0.00 44.72 43.33 3f2o s GLY 229 CO -0.05 -1.58 -0.17 1.08 0.00 0.00 0.00 173.10 172.38 3f2o s LEU 230 N -2.78 1.85 0.92 0.66 1.43 0.27 -4.98 118.68 116.05 3f2o s LEU 230 Ca 0.17 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3f2o s LEU 230 Cb -0.05 -1.06 0.15 0.00 0.03 0.00 0.00 46.19 45.25 3f2o s LEU 230 CO 0.07 0.10 1.12 -1.81 0.23 0.00 0.00 176.35 176.06 3f2o s ASP 231 N 0.44 2.98 0.81 2.29 1.01 -1.26 -0.92 116.67 122.01 3f2o s ASP 231 Ca -0.14 2.00 -0.13 0.00 0.71 0.00 0.00 52.55 54.98 3f2o s ASP 231 Cb -0.16 -2.50 0.08 0.00 1.01 0.00 0.00 42.92 41.35 3f2o s ASP 231 CO 0.05 -3.03 1.21 -2.84 0.21 0.00 0.00 175.17 170.77 3f2o s PRO 232 N -4.69 1.62 0.00 8.23 0.02 -1.26 -4.72 135.00 134.20 3f2o s PRO 232 Ca 0.66 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3f2o s PRO 232 Cb -0.22 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3f2o s PRO 232 CO 0.58 -2.23 0.00 0.39 -0.33 0.00 0.00 177.00 175.42