#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8dfr h ARG 2 N 0.00 0.53 -2.78 7.34 0.11 -1.99 -3.47 114.38 114.12 8dfr h ARG 2 Ca 0.00 -0.30 -0.05 0.00 0.10 0.00 0.00 59.98 59.74 8dfr h ARG 2 Cb 0.00 0.02 -0.15 0.00 1.11 0.00 0.00 29.97 30.95 8dfr h ARG 2 CO 0.00 0.89 0.11 -1.54 0.10 0.00 0.00 179.97 179.53 8dfr s SER 3 N -6.88 -0.50 0.27 0.08 1.04 -1.26 -4.09 113.70 102.35 8dfr s SER 3 Ca -0.07 0.16 0.12 0.00 0.48 0.00 0.00 55.95 56.64 8dfr s SER 3 Cb 0.12 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 8dfr s SER 3 CO 0.83 -0.79 -0.21 -0.76 0.98 0.00 0.00 173.24 173.29 8dfr s LEU 4 N -2.17 2.57 0.00 2.42 1.43 0.42 -4.65 118.68 118.70 8dfr s LEU 4 Ca -0.03 -1.00 0.04 0.00 -1.03 0.00 0.00 54.13 52.10 8dfr s LEU 4 Cb -0.00 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 8dfr s LEU 4 CO -0.04 0.05 -0.13 0.20 0.23 0.00 0.00 176.35 176.66 8dfr s ASN 5 N -3.38 1.51 0.06 2.29 0.01 -0.65 -1.81 114.94 112.97 8dfr s ASN 5 Ca 0.28 -0.28 0.06 0.00 -0.71 0.00 0.00 52.86 52.22 8dfr s ASN 5 Cb -0.05 -0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.43 8dfr s ASN 5 CO 0.14 0.13 -0.17 -0.44 -1.51 0.00 0.00 177.10 175.25 8dfr s SER 6 N -0.47 1.99 -0.01 -1.22 0.01 0.03 0.31 113.70 114.34 8dfr s SER 6 Ca 0.04 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.76 8dfr s SER 6 Cb -0.05 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.06 8dfr s SER 6 CO -0.00 0.03 -0.07 -0.51 0.41 0.00 0.00 173.24 173.10 8dfr s ILE 7 N -1.02 0.57 0.12 1.44 2.07 -0.79 -0.84 121.20 122.74 8dfr s ILE 7 Ca 0.03 -0.27 -0.16 0.00 -1.41 0.00 0.00 60.65 58.84 8dfr s ILE 7 Cb -0.09 -0.50 0.03 0.00 0.13 0.00 0.00 42.46 42.03 8dfr s ILE 7 CO 0.02 0.18 0.39 0.54 -1.91 0.00 0.00 174.94 174.16 8dfr s VAL 8 N 0.06 0.07 -0.09 4.00 0.11 -0.50 -4.62 120.40 119.44 8dfr s VAL 8 Ca -0.00 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 8dfr s VAL 8 Cb -0.05 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 8dfr s VAL 8 CO -0.00 -0.32 -0.22 0.00 -3.33 0.00 0.00 175.10 171.22 8dfr s ALA 9 N -3.69 2.00 0.13 1.54 0.00 -1.26 -1.17 121.76 119.30 8dfr s ALA 9 Ca 0.02 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.16 8dfr s ALA 9 Cb 0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 8dfr s ALA 9 CO -0.11 0.27 -0.13 0.14 0.00 0.00 0.00 175.76 175.94 8dfr s VAL 10 N 0.33 1.27 0.00 0.00 -7.23 -0.13 -4.60 120.40 110.04 8dfr s VAL 10 Ca -0.16 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 8dfr s VAL 10 Cb -0.17 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.15 8dfr s VAL 10 CO 0.07 -0.53 0.00 0.00 -0.31 0.00 0.00 175.10 174.33 8dfr h GLN 12 N 0.00 0.00 -0.42 0.00 4.20 -1.12 -1.27 115.11 116.50 8dfr h GLN 12 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 8dfr h GLN 12 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 8dfr h GLN 12 CO 0.00 0.13 0.00 0.27 -0.67 0.00 0.00 178.83 178.56 8dfr n ASN 13 N -3.63 2.25 -0.99 1.46 0.23 -1.26 -4.88 115.26 108.43 8dfr n ASN 13 Ca -0.02 -2.00 -0.13 0.00 -0.53 0.00 0.00 54.58 51.91 8dfr n ASN 13 Cb 0.26 -0.28 -0.05 0.00 -2.08 0.00 0.00 39.78 37.62 8dfr n ASN 13 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 8dfr n MET 14 N 0.73 -0.90 -2.56 -3.83 2.81 -0.48 -4.94 117.12 107.96 8dfr n MET 14 Ca 0.14 0.95 -0.38 0.00 -1.81 0.00 0.00 57.70 56.60 8dfr n MET 14 Cb 0.35 -5.00 -0.04 0.00 -0.71 0.00 0.00 33.22 27.82 8dfr n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 8dfr s GLY 15 N -2.86 2.83 0.00 3.03 0.00 -1.26 -0.44 107.32 108.62 8dfr s GLY 15 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.45 8dfr s GLY 15 CO 0.00 1.20 0.00 0.29 0.00 0.00 0.00 173.10 174.59 8dfr n ILE 16 N 0.35 0.00 -3.57 0.90 -5.35 0.03 -2.43 119.36 109.29 8dfr n ILE 16 Ca 0.03 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 62.16 8dfr n ILE 16 Cb 0.48 0.74 -0.03 0.00 -1.74 0.00 0.00 39.64 39.09 8dfr n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 8dfr s GLY 17 N -1.43 -0.38 -0.19 3.28 0.00 -1.10 -4.48 107.32 103.02 8dfr s GLY 17 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 44.72 44.79 8dfr s GLY 17 CO 0.00 -0.08 0.41 1.25 0.00 0.00 0.00 173.10 174.69 8dfr s LYS 18 N -3.80 0.34 -1.50 2.90 2.47 0.11 -0.43 119.74 119.83 8dfr s LYS 18 Ca 0.04 0.97 -0.12 0.00 -1.56 0.00 0.00 55.97 55.30 8dfr s LYS 18 Cb -0.00 0.23 0.07 0.00 -1.46 0.00 0.00 37.83 36.67 8dfr s LYS 18 CO -0.10 -0.23 0.95 -0.25 0.16 0.00 0.00 175.35 175.89 8dfr n ASP 19 N 5.10 -4.39 0.00 1.43 8.00 -1.26 -1.09 116.55 124.34 8dfr n ASP 19 Ca -0.12 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.60 8dfr n ASP 19 Cb 0.51 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.68 8dfr n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 8dfr n GLY 20 N -1.69 1.21 0.00 0.44 0.00 -1.26 -4.99 105.19 98.90 8dfr n GLY 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 8dfr n GLY 20 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 8dfr n ASN 21 N 0.00 0.44 -4.85 1.61 5.15 -0.25 -4.72 115.26 112.64 8dfr n ASN 21 Ca 0.00 -0.76 -0.32 0.00 -0.60 0.00 0.00 54.58 52.90 8dfr n ASN 21 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 8dfr n ASN 21 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 8dfr s LEU 22 N 0.00 3.75 0.39 1.20 1.43 -1.26 0.10 118.68 124.29 8dfr s LEU 22 Ca 0.00 1.43 0.20 0.00 -1.03 0.00 0.00 54.13 54.73 8dfr s LEU 22 Cb 0.00 -4.33 0.73 0.00 0.03 0.00 0.00 46.19 42.62 8dfr s LEU 22 CO 0.00 -0.48 1.75 -0.65 0.23 0.00 0.00 176.35 177.20 8dfr h PRO 23 N 1.23 0.00 -6.28 1.29 0.11 -1.84 -3.40 132.00 123.11 8dfr h PRO 23 Ca -0.47 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.06 8dfr h PRO 23 Cb 1.18 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 8dfr h PRO 23 CO 0.62 0.33 -0.63 1.67 -0.21 0.00 0.00 178.00 179.79 8dfr s TRP 24 N -3.60 2.87 0.98 0.65 -2.14 -1.26 -4.71 118.94 111.73 8dfr s TRP 24 Ca 0.00 -0.14 -0.13 0.00 2.66 0.00 0.00 56.10 58.49 8dfr s TRP 24 Cb 0.11 -1.36 0.18 0.00 -3.10 0.00 0.00 33.47 29.30 8dfr s TRP 24 CO 0.67 0.54 1.12 -2.14 -2.66 0.00 0.00 176.95 174.48 8dfr s PRO 25 N -3.20 0.57 0.25 3.25 0.02 -1.26 -4.90 135.00 129.72 8dfr s PRO 25 Ca 0.29 0.33 -0.31 0.00 0.02 0.00 0.00 61.00 61.34 8dfr s PRO 25 Cb -0.09 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 8dfr s PRO 25 CO 0.20 -2.60 1.64 -1.25 -0.33 0.00 0.00 177.00 174.66 8dfr s PRO 26 N -5.16 4.14 -0.30 5.54 0.04 -1.26 -4.99 135.00 133.00 8dfr s PRO 26 Ca 0.65 2.56 0.02 0.00 0.04 0.00 0.00 61.00 64.27 8dfr s PRO 26 Cb -0.16 -3.06 0.07 0.00 0.04 0.00 0.00 34.50 31.39 8dfr s PRO 26 CO 0.56 -0.67 -0.02 -0.51 0.04 0.00 0.00 177.00 176.39 8dfr s LEU 27 N 0.33 4.02 0.13 -3.56 1.43 -1.26 -5.02 118.68 114.74 8dfr s LEU 27 Ca 0.68 -1.63 -0.20 0.00 -1.03 0.00 0.00 54.13 51.95 8dfr s LEU 27 Cb -0.48 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 8dfr s LEU 27 CO 0.40 -0.28 1.70 -0.09 0.23 0.00 0.00 176.35 178.31 8dfr h ARG 28 N 7.79 -0.02 -0.16 1.70 2.43 -1.99 -2.13 114.38 121.99 8dfr h ARG 28 Ca -0.15 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 8dfr h ARG 28 Cb 1.04 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 8dfr h ARG 28 CO 0.51 -0.02 -0.19 -0.91 -1.51 0.00 0.00 179.97 177.85 8dfr h ASN 29 N -0.03 0.27 -0.15 -3.80 2.35 -1.99 -0.65 115.58 111.59 8dfr h ASN 29 Ca 0.09 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 8dfr h ASN 29 Cb 0.16 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 8dfr h ASN 29 CO -0.19 0.48 -0.13 -0.08 -1.65 0.00 0.00 177.43 175.85 8dfr h GLU 30 N 0.26 0.35 -0.31 0.81 4.22 -1.95 -1.57 114.58 116.39 8dfr h GLU 30 Ca 0.05 -0.18 0.04 0.00 0.08 0.00 0.00 59.36 59.35 8dfr h GLU 30 Cb 0.49 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 8dfr h GLU 30 CO 0.03 0.72 0.07 -0.92 -2.18 0.00 0.00 179.01 176.74 8dfr h TYR 31 N -0.02 0.13 -0.83 0.92 -0.00 -1.16 -1.03 116.97 114.97 8dfr h TYR 31 Ca 0.03 0.02 0.07 0.00 -0.00 0.00 0.00 58.73 58.84 8dfr h TYR 31 Cb 0.65 -0.01 -0.05 0.00 -0.00 0.00 0.00 36.73 37.32 8dfr h TYR 31 CO 0.08 0.04 0.54 0.87 -0.00 0.00 0.00 178.16 179.69 8dfr h LYS 32 N 0.19 0.86 -0.20 1.82 1.57 -0.97 -0.06 116.57 119.78 8dfr h LYS 32 Ca 0.14 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 8dfr h LYS 32 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 8dfr h LYS 32 CO -0.18 0.57 0.06 -0.92 -0.57 0.00 0.00 179.45 178.41 8dfr h TYR 33 N 0.88 0.32 -0.01 -1.35 5.03 -0.61 -0.22 116.97 121.02 8dfr h TYR 33 Ca 0.36 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.64 8dfr h TYR 33 Cb 0.26 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.45 8dfr h TYR 33 CO -0.00 0.41 -0.01 0.35 -1.32 0.00 0.00 178.16 177.58 8dfr h PHE 34 N 0.15 -0.03 -0.49 -3.82 3.57 -0.72 -0.53 116.94 115.07 8dfr h PHE 34 Ca 0.06 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.63 8dfr h PHE 34 Cb 0.24 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 8dfr h PHE 34 CO 0.00 -0.02 0.19 1.96 -2.23 0.00 0.00 178.31 178.21 8dfr h GLN 35 N -0.02 0.36 -0.32 1.11 1.08 -0.85 -1.29 115.11 115.18 8dfr h GLN 35 Ca 0.01 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 8dfr h GLN 35 Cb 0.03 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 8dfr h GLN 35 CO -0.02 0.24 -0.06 -0.09 -0.95 0.00 0.00 178.83 177.95 8dfr h ARG 36 N 0.37 0.61 -0.20 1.46 2.43 -0.78 -0.91 114.38 117.36 8dfr h ARG 36 Ca 0.23 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 8dfr h ARG 36 Cb 0.22 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 8dfr h ARG 36 CO -0.22 0.78 -0.01 0.52 -1.51 0.00 0.00 179.97 179.53 8dfr h MET 37 N 0.39 0.36 0.00 0.20 2.86 -1.05 -1.84 114.93 115.84 8dfr h MET 37 Ca 0.08 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 8dfr h MET 37 Cb 0.55 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 8dfr h MET 37 CO 0.03 0.57 -0.65 1.79 1.06 0.00 0.00 176.91 179.70 8dfr h THR 38 N 0.11 1.44 0.00 2.22 1.35 -1.22 -3.33 112.91 113.48 8dfr h THR 38 Ca 0.06 -2.25 -0.19 0.00 -0.55 0.00 0.00 66.41 63.47 8dfr h THR 38 Cb 0.41 2.23 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 8dfr h THR 38 CO 0.01 0.64 -1.17 0.28 -0.25 0.00 0.00 175.52 175.03 8dfr h SER 39 N 0.00 0.00 -2.93 5.36 0.02 -1.14 -3.43 113.55 111.43 8dfr h SER 39 Ca -0.01 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 8dfr h SER 39 Cb 1.17 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 8dfr h SER 39 CO 0.08 0.75 1.11 -0.89 -1.14 0.00 0.00 176.83 176.75 8dfr s THR 40 N -2.81 3.78 0.03 -2.27 2.01 -0.70 -4.65 115.64 111.04 8dfr s THR 40 Ca -0.01 0.85 -0.09 0.00 0.31 0.00 0.00 61.69 62.75 8dfr s THR 40 Cb 0.09 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 8dfr s THR 40 CO 0.80 -0.44 0.34 -0.55 -0.69 0.00 0.00 174.62 174.08 8dfr s SER 41 N 4.22 6.60 -0.50 3.53 0.15 -1.26 -4.94 113.70 121.49 8dfr s SER 41 Ca 0.68 0.72 0.00 0.00 0.70 0.00 0.00 55.95 58.05 8dfr s SER 41 Cb -0.21 -2.15 0.47 0.00 -1.71 0.00 0.00 66.02 62.42 8dfr s SER 41 CO 0.30 0.24 1.94 1.41 1.20 0.00 0.00 173.24 178.32 8dfr n HIS 42 N 1.20 2.75 -3.64 3.44 -0.00 -1.26 -4.88 115.22 112.84 8dfr n HIS 42 Ca -0.11 -2.32 -0.10 0.00 -0.00 0.00 0.00 57.72 55.20 8dfr n HIS 42 Cb 0.53 -1.14 -0.07 0.00 -0.00 0.00 0.00 29.99 29.31 8dfr n HIS 42 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 8dfr s VAL 43 N -3.64 0.00 0.27 1.59 1.01 -1.26 -5.13 120.40 113.24 8dfr s VAL 43 Ca 0.54 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 8dfr s VAL 43 Cb 0.43 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 8dfr s VAL 43 CO 0.03 0.00 0.99 -1.83 0.00 0.00 0.00 175.10 174.29 8dfr s GLU 44 N 0.98 4.74 0.00 2.72 -1.05 -1.26 -2.92 118.70 121.91 8dfr s GLU 44 Ca -0.05 1.55 0.00 0.00 -0.15 0.00 0.00 54.97 56.33 8dfr s GLU 44 Cb -0.05 -3.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.48 8dfr s GLU 44 CO -0.10 0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.90 8dfr n GLY 45 N 1.25 0.80 3.52 -3.83 0.00 -1.26 -5.04 105.19 100.63 8dfr n GLY 45 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 8dfr n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 8dfr s LYS 46 N -0.69 1.77 0.14 1.61 1.02 -1.15 -4.87 119.74 117.57 8dfr s LYS 46 Ca 0.00 -1.88 0.02 0.00 0.02 0.00 0.00 55.97 54.14 8dfr s LYS 46 Cb 0.00 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 8dfr s LYS 46 CO 0.00 0.21 -0.05 -0.65 -0.92 0.00 0.00 175.35 173.94 8dfr s GLN 47 N -3.57 0.99 0.42 1.68 -0.21 -0.49 -4.84 119.66 113.64 8dfr s GLN 47 Ca 0.32 -1.44 -0.08 0.00 0.02 0.00 0.00 55.36 54.18 8dfr s GLN 47 Cb -0.00 -0.33 -0.05 0.00 1.00 0.00 0.00 33.01 33.63 8dfr s GLN 47 CO 0.16 -0.04 0.75 -0.80 -2.12 0.00 0.00 175.29 173.24 8dfr s ASN 48 N -3.12 6.41 0.00 5.90 0.01 -1.26 -0.83 114.94 122.06 8dfr s ASN 48 Ca 0.17 0.99 0.03 0.00 -0.71 0.00 0.00 52.86 53.35 8dfr s ASN 48 Cb 0.05 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 8dfr s ASN 48 CO -0.00 -0.44 -0.07 0.00 -1.51 0.00 0.00 177.10 175.08 8dfr s ALA 49 N -2.47 3.02 -0.03 0.60 0.00 -0.17 -1.46 121.76 121.24 8dfr s ALA 49 Ca 0.49 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.49 8dfr s ALA 49 Cb -0.10 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 8dfr s ALA 49 CO 0.36 0.61 -0.22 0.14 0.00 0.00 0.00 175.76 176.65 8dfr s VAL 50 N -1.00 1.79 -0.09 0.00 -7.23 0.08 -0.02 120.40 113.93 8dfr s VAL 50 Ca 0.17 -0.94 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 8dfr s VAL 50 Cb -0.11 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.31 8dfr s VAL 50 CO 0.07 0.50 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.57 8dfr s ILE 51 N -0.31 2.76 0.10 -0.62 1.01 0.23 -0.95 121.20 123.42 8dfr s ILE 51 Ca 0.03 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 8dfr s ILE 51 Cb -0.11 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 8dfr s ILE 51 CO 0.01 0.55 0.17 0.00 0.00 0.00 0.00 174.94 175.67 8dfr s MET 52 N 0.00 0.87 0.83 2.79 0.23 -0.52 -1.44 119.30 122.06 8dfr s MET 52 Ca -0.05 -1.05 -0.12 0.00 -1.03 0.00 0.00 55.69 53.43 8dfr s MET 52 Cb -0.15 0.33 0.10 0.00 -1.53 0.00 0.00 34.83 33.58 8dfr s MET 52 CO 0.05 -0.27 1.19 0.20 -2.03 0.00 0.00 175.02 174.16 8dfr s GLY 53 N -2.89 1.63 0.24 3.16 0.00 -0.02 -0.56 107.32 108.88 8dfr s GLY 53 Ca 0.08 -0.76 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 8dfr s GLY 53 CO -0.09 -0.23 1.63 1.70 0.00 0.00 0.00 173.10 176.11 8dfr h LYS 54 N -1.13 0.55 -0.02 2.90 3.64 -1.86 -1.80 116.57 118.86 8dfr h LYS 54 Ca -0.46 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 58.51 8dfr h LYS 54 Cb 1.31 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 8dfr h LYS 54 CO 0.61 0.82 -0.71 -0.22 -2.27 0.00 0.00 179.45 177.68 8dfr h LYS 55 N 0.46 0.10 -0.27 1.90 3.64 -1.94 -2.50 116.57 117.97 8dfr h LYS 55 Ca 0.05 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 8dfr h LYS 55 Cb 0.83 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 8dfr h LYS 55 CO 0.07 0.77 -0.04 1.15 -2.27 0.00 0.00 179.45 179.13 8dfr h THR 56 N 0.07 1.27 -0.39 1.00 2.02 -1.84 -1.18 112.91 113.86 8dfr h THR 56 Ca -0.01 -1.01 0.08 0.00 0.77 0.00 0.00 66.41 66.23 8dfr h THR 56 Cb 1.26 1.39 -0.07 0.00 -1.74 0.00 0.00 68.15 69.00 8dfr h THR 56 CO 0.10 0.32 -0.07 -0.25 0.37 0.00 0.00 175.52 175.99 8dfr h TRP 57 N 0.26 -0.16 0.00 3.16 2.91 -1.14 -1.45 115.95 119.54 8dfr h TRP 57 Ca 0.07 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.12 8dfr h TRP 57 Cb 0.49 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 8dfr h TRP 57 CO 0.04 -0.14 0.00 1.19 -1.03 0.00 0.00 178.44 178.50 8dfr n PHE 58 N -5.27 0.31 0.55 2.65 3.72 -0.96 -1.92 117.46 116.54 8dfr n PHE 58 Ca 0.02 0.11 0.13 0.00 -0.05 0.00 0.00 57.45 57.66 8dfr n PHE 58 Cb 0.21 -0.68 0.39 0.00 -0.94 0.00 0.00 39.48 38.46 8dfr n PHE 58 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 8dfr h SER 59 N 0.00 0.00 -3.44 4.37 4.64 -0.10 -3.44 113.55 115.59 8dfr h SER 59 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 8dfr h SER 59 Cb 0.41 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 8dfr h SER 59 CO 0.00 0.00 0.18 -0.63 -0.87 0.00 0.00 176.83 175.51 8dfr s ILE 60 N -3.15 4.72 0.23 0.95 1.01 -0.81 -4.97 121.20 119.19 8dfr s ILE 60 Ca 0.09 1.67 -0.31 0.00 0.00 0.00 0.00 60.65 62.10 8dfr s ILE 60 Cb 0.11 -4.13 -0.14 0.00 0.01 0.00 0.00 42.46 38.31 8dfr s ILE 60 CO 0.59 0.36 1.32 -2.65 0.00 0.00 0.00 174.94 174.55 8dfr n PRO 61 N 2.84 1.79 -0.33 2.79 -0.02 -1.26 -4.82 135.00 135.99 8dfr n PRO 61 Ca -0.02 0.64 0.08 0.00 -2.02 0.00 0.00 63.50 62.18 8dfr n PRO 61 Cb 0.50 -2.24 0.25 0.00 -0.02 0.00 0.00 33.50 31.99 8dfr n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 8dfr h GLU 62 N 3.82 0.75 0.00 -0.52 4.81 -1.93 0.26 114.58 121.78 8dfr h GLU 62 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 8dfr h GLU 62 Cb 1.30 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.51 8dfr h GLU 62 CO 0.73 0.50 0.00 1.63 -0.73 0.00 0.00 179.01 181.14 8dfr n LYS 63 N -4.76 0.09 -0.24 1.92 4.76 -1.26 -1.64 118.16 117.03 8dfr n LYS 63 Ca 0.19 0.31 0.12 0.00 -2.87 0.00 0.00 58.31 56.05 8dfr n LYS 63 Cb 0.43 -1.66 0.26 0.00 -1.84 0.00 0.00 35.03 32.22 8dfr n LYS 63 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 8dfr n ASN 64 N -1.83 3.40 -4.83 4.39 3.02 0.90 -4.93 115.26 115.38 8dfr n ASN 64 Ca 0.03 -1.98 -0.31 0.00 -0.03 0.00 0.00 54.58 52.29 8dfr n ASN 64 Cb 0.21 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 8dfr n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 8dfr s ARG 65 N -1.38 3.11 0.88 3.52 0.52 -0.65 -3.88 118.95 121.06 8dfr s ARG 65 Ca 0.41 -0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 54.93 8dfr s ARG 65 Cb 0.23 -2.86 0.12 0.00 0.52 0.00 0.00 34.95 32.95 8dfr s ARG 65 CO 0.31 0.60 1.11 -1.25 0.02 0.00 0.00 175.30 176.09 8dfr s PRO 66 N -2.32 1.43 -0.00 3.54 0.04 -1.26 -4.94 135.00 131.49 8dfr s PRO 66 Ca 0.30 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 8dfr s PRO 66 Cb -0.12 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 8dfr s PRO 66 CO 0.23 -2.04 1.98 -0.51 0.04 0.00 0.00 177.00 176.69 8dfr s LEU 67 N -6.00 4.31 0.45 -3.56 1.43 -1.25 -4.86 118.68 109.20 8dfr s LEU 67 Ca 0.63 2.55 -0.25 0.00 -1.03 0.00 0.00 54.13 56.03 8dfr s LEU 67 Cb -0.15 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 8dfr s LEU 67 CO 0.54 -1.16 1.30 1.17 0.23 0.00 0.00 176.35 178.44 8dfr n LYS 68 N 7.66 1.91 -1.27 1.70 4.81 -1.26 -2.81 118.16 128.90 8dfr n LYS 68 Ca 0.21 0.68 -0.09 0.00 -0.87 0.00 0.00 58.31 58.24 8dfr n LYS 68 Cb 0.42 -2.45 -0.04 0.00 0.02 0.00 0.00 35.03 32.98 8dfr n LYS 68 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 8dfr n ASP 69 N -0.07 -4.85 -4.17 3.14 8.00 -1.26 -4.97 116.55 112.37 8dfr n ASP 69 Ca 0.07 0.23 -0.15 0.00 0.71 0.00 0.00 54.79 55.65 8dfr n ASP 69 Cb 0.41 -3.18 -0.11 0.00 -0.02 0.00 0.00 41.12 38.22 8dfr n ASP 69 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 8dfr s ARG 70 N -2.58 0.83 -0.24 -1.24 0.52 -1.12 -4.36 118.95 110.76 8dfr s ARG 70 Ca 0.00 -1.12 -0.22 0.00 -0.52 0.00 0.00 55.73 53.87 8dfr s ARG 70 Cb 0.00 -0.57 -0.01 0.00 0.52 0.00 0.00 34.95 34.89 8dfr s ARG 70 CO 0.00 0.10 0.73 0.42 0.02 0.00 0.00 175.30 176.57 8dfr s ILE 71 N -2.23 4.91 -0.24 1.52 1.01 -0.53 -4.78 121.20 120.86 8dfr s ILE 71 Ca 0.04 1.36 -0.15 0.00 0.00 0.00 0.00 60.65 61.90 8dfr s ILE 71 Cb -0.04 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 8dfr s ILE 71 CO 0.00 -0.01 0.35 0.20 0.00 0.00 0.00 174.94 175.48 8dfr s ASN 72 N 1.38 6.30 -0.13 3.58 0.02 -1.26 -0.74 114.94 124.08 8dfr s ASN 72 Ca 0.31 0.35 0.03 0.00 -1.02 0.00 0.00 52.86 52.52 8dfr s ASN 72 Cb -0.15 -2.20 0.01 0.00 0.02 0.00 0.00 41.25 38.92 8dfr s ASN 72 CO 0.08 -0.10 -0.22 -0.63 0.02 0.00 0.00 177.10 176.25 8dfr s ILE 73 N 1.62 2.12 -0.07 0.60 1.01 -0.12 -1.79 121.20 124.57 8dfr s ILE 73 Ca 0.15 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 8dfr s ILE 73 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 8dfr s ILE 73 CO 0.08 0.55 0.00 -0.69 0.00 0.00 0.00 174.94 174.89 8dfr s VAL 74 N 0.71 4.29 -0.15 2.92 1.01 -0.52 -1.44 120.40 127.22 8dfr s VAL 74 Ca -0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 8dfr s VAL 74 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 8dfr s VAL 74 CO 0.01 0.56 0.09 -0.76 0.00 0.00 0.00 175.10 175.00 8dfr s LEU 75 N -1.01 4.03 -0.28 3.92 1.43 0.28 -0.77 118.68 126.27 8dfr s LEU 75 Ca 0.15 0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 53.25 8dfr s LEU 75 Cb -0.11 -2.00 0.11 0.00 0.03 0.00 0.00 46.19 44.22 8dfr s LEU 75 CO 0.04 0.28 0.94 -0.55 0.23 0.00 0.00 176.35 177.29 8dfr s SER 76 N -0.27 -0.55 0.05 2.29 0.15 -0.53 -2.69 113.70 112.15 8dfr s SER 76 Ca 0.09 1.02 0.23 0.00 0.70 0.00 0.00 55.95 58.00 8dfr s SER 76 Cb -0.12 1.08 0.05 0.00 -1.71 0.00 0.00 66.02 65.32 8dfr s SER 76 CO 0.01 -0.17 1.03 0.54 1.20 0.00 0.00 173.24 175.84 8dfr n ARG 77 N 2.65 0.29 -0.09 5.44 1.74 -1.26 -4.19 116.66 121.23 8dfr n ARG 77 Ca -0.14 -0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.76 8dfr n ARG 77 Cb 0.56 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.28 8dfr n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 8dfr n GLU 78 N -1.96 0.68 -2.42 5.56 1.02 -1.26 -4.98 120.64 117.28 8dfr n GLU 78 Ca 0.02 0.16 -0.37 0.00 -0.02 0.00 0.00 57.16 56.95 8dfr n GLU 78 Cb 0.44 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 8dfr n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 8dfr s LEU 79 N -6.47 4.13 -0.13 -4.62 1.43 -1.26 -4.95 118.68 106.81 8dfr s LEU 79 Ca -0.28 2.18 0.05 0.00 -1.03 0.00 0.00 54.13 55.05 8dfr s LEU 79 Cb 0.08 -4.15 -0.23 0.00 0.03 0.00 0.00 46.19 41.92 8dfr s LEU 79 CO 0.67 -0.63 0.30 1.17 0.23 0.00 0.00 176.35 178.10 8dfr n LYS 80 N -0.11 0.69 -4.08 1.70 3.00 -1.26 -4.96 118.16 113.13 8dfr n LYS 80 Ca 0.05 0.21 -0.09 0.00 -0.00 0.00 0.00 58.31 58.48 8dfr n LYS 80 Cb 0.48 -1.67 -0.10 0.00 0.00 0.00 0.00 35.03 33.74 8dfr n LYS 80 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 8dfr s GLU 81 N -2.55 0.60 0.28 1.64 2.12 -1.26 -5.12 118.70 114.40 8dfr s GLU 81 Ca -0.17 -1.05 -0.30 0.00 0.36 0.00 0.00 54.97 53.81 8dfr s GLU 81 Cb 0.07 -0.01 -0.12 0.00 0.26 0.00 0.00 34.13 34.33 8dfr s GLU 81 CO 0.77 -0.05 1.50 0.00 -0.54 0.00 0.00 175.26 176.94 8dfr n ALA 82 N 0.60 1.90 -1.44 6.30 0.00 -1.26 -4.92 120.51 121.68 8dfr n ALA 82 Ca -0.17 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 8dfr n ALA 82 Cb 0.59 -2.37 0.09 0.00 0.00 0.00 0.00 19.45 17.76 8dfr n ALA 82 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 8dfr s PRO 83 N -0.64 2.17 -0.14 0.00 0.02 -1.26 -4.82 135.00 130.33 8dfr s PRO 83 Ca 0.64 1.89 -0.37 0.00 0.02 0.00 0.00 61.00 63.18 8dfr s PRO 83 Cb -0.56 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.00 8dfr s PRO 83 CO 0.51 -1.85 1.74 1.17 -0.33 0.00 0.00 177.00 178.24 8dfr n LYS 84 N -2.54 1.60 0.00 5.54 3.00 -1.26 -1.28 118.16 123.23 8dfr n LYS 84 Ca 0.14 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 8dfr n LYS 84 Cb 0.49 -2.33 0.00 0.00 0.00 0.00 0.00 35.03 33.19 8dfr n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 8dfr n GLY 85 N 4.03 3.29 3.81 3.14 0.00 -1.26 -4.90 105.19 113.30 8dfr n GLY 85 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 8dfr n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8dfr s ALA 86 N -2.92 2.99 0.04 4.61 0.00 -0.40 -4.00 121.76 122.08 8dfr s ALA 86 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 8dfr s ALA 86 Cb 0.00 -3.19 -0.33 0.00 0.00 0.00 0.00 23.12 19.60 8dfr s ALA 86 CO 0.00 -0.02 1.03 0.45 0.00 0.00 0.00 175.76 177.22 8dfr h HIS 87 N 1.85 0.84 -3.05 0.00 -0.00 -1.67 -3.45 115.15 109.67 8dfr h HIS 87 Ca -0.49 -0.61 -0.09 0.00 -0.00 0.00 0.00 60.37 59.18 8dfr h HIS 87 Cb 1.19 -0.03 -0.18 0.00 -0.00 0.00 0.00 27.41 28.39 8dfr h HIS 87 CO 0.60 1.48 -0.18 0.71 -0.00 0.00 0.00 177.93 180.55 8dfr s TYR 88 N -2.62 -0.22 -0.03 2.45 1.51 -0.97 -5.02 117.35 112.46 8dfr s TYR 88 Ca -0.08 0.21 0.08 0.00 -1.01 0.00 0.00 57.07 56.27 8dfr s TYR 88 Cb 0.05 0.16 -0.02 0.00 -0.11 0.00 0.00 41.96 42.04 8dfr s TYR 88 CO 0.93 -0.51 -0.26 -1.17 -1.11 0.00 0.00 175.55 173.44 8dfr s LEU 89 N -1.80 2.06 0.06 -1.29 2.96 -1.26 -1.44 118.68 117.98 8dfr s LEU 89 Ca -0.08 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 8dfr s LEU 89 Cb -0.02 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 8dfr s LEU 89 CO -0.00 0.30 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.81 8dfr s SER 90 N -0.52 1.06 0.00 3.68 0.01 0.05 -4.94 113.70 113.05 8dfr s SER 90 Ca 0.07 -0.68 0.24 0.00 1.31 0.00 0.00 55.95 56.89 8dfr s SER 90 Cb -0.11 0.04 0.15 0.00 0.21 0.00 0.00 66.02 66.31 8dfr s SER 90 CO 0.00 -0.25 1.21 0.29 0.41 0.00 0.00 173.24 174.90 8dfr n LYS 91 N 1.03 1.88 -3.64 12.44 4.01 -1.26 -1.45 118.16 131.17 8dfr n LYS 91 Ca -0.20 -1.54 -0.08 0.00 -0.51 0.00 0.00 58.31 55.98 8dfr n LYS 91 Cb 0.56 -1.47 -0.02 0.00 -0.51 0.00 0.00 35.03 33.60 8dfr n LYS 91 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 8dfr s SER 92 N -2.18 -0.36 0.22 4.39 1.04 -1.26 -4.53 113.70 111.02 8dfr s SER 92 Ca 0.25 -0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.32 8dfr s SER 92 Cb 0.19 0.60 0.19 0.00 0.10 0.00 0.00 66.02 67.10 8dfr s SER 92 CO 0.40 -1.04 1.84 0.25 0.98 0.00 0.00 173.24 175.67 8dfr h LEU 93 N 2.00 1.08 -0.58 2.42 5.85 -1.99 -2.38 115.31 121.71 8dfr h LEU 93 Ca -0.25 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.44 8dfr h LEU 93 Cb 1.27 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 8dfr h LEU 93 CO 0.30 0.87 0.23 0.44 -0.34 0.00 0.00 178.44 179.94 8dfr h ASP 94 N 1.20 0.26 -0.75 1.25 3.32 -1.99 0.19 116.42 119.90 8dfr h ASP 94 Ca 0.30 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 8dfr h ASP 94 Cb 0.04 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 8dfr h ASP 94 CO -0.05 0.16 0.45 0.44 -1.72 0.00 0.00 179.24 178.53 8dfr h ASP 95 N 0.43 0.91 -0.40 6.45 3.32 -1.90 -1.07 116.42 124.15 8dfr h ASP 95 Ca 0.29 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 8dfr h ASP 95 Cb 0.31 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 8dfr h ASP 95 CO -0.27 0.71 -0.10 0.00 -1.72 0.00 0.00 179.24 177.86 8dfr h ALA 96 N 1.24 0.94 -0.46 3.45 0.00 -0.85 0.16 119.26 123.74 8dfr h ALA 96 Ca 0.27 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 8dfr h ALA 96 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 8dfr h ALA 96 CO -0.05 0.62 0.13 -0.07 0.00 0.00 0.00 179.25 179.88 8dfr h LEU 97 N 0.77 0.68 -0.04 0.00 3.38 0.15 -1.76 115.31 118.49 8dfr h LEU 97 Ca 0.13 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.90 8dfr h LEU 97 Cb 0.60 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 8dfr h LEU 97 CO 0.04 0.72 -0.09 0.00 0.09 0.00 0.00 178.44 179.19 8dfr h ALA 98 N 0.99 -0.07 -0.52 1.53 0.00 -1.03 -0.46 119.26 119.69 8dfr h ALA 98 Ca 0.15 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.18 8dfr h ALA 98 Cb 0.29 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 8dfr h ALA 98 CO -0.00 -0.57 -0.25 1.25 0.00 0.00 0.00 179.25 179.68 8dfr h LEU 99 N -0.14 -0.86 -1.31 0.00 5.85 -0.44 -0.08 115.31 118.32 8dfr h LEU 99 Ca 0.05 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.97 8dfr h LEU 99 Cb 0.21 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 8dfr h LEU 99 CO -0.13 -0.26 0.47 -0.07 -0.34 0.00 0.00 178.44 178.11 8dfr h LEU 100 N -0.13 0.80 -1.02 2.25 3.38 -0.43 0.03 115.31 120.19 8dfr h LEU 100 Ca 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.18 8dfr h LEU 100 Cb 0.50 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.05 8dfr h LEU 100 CO -0.60 0.57 0.00 0.44 0.09 0.00 0.00 178.44 178.95 8dfr h ASP 101 N 0.94 0.00 -4.16 -0.43 3.45 0.56 -2.27 116.42 114.52 8dfr h ASP 101 Ca 0.26 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 57.21 8dfr h ASP 101 Cb -0.08 0.00 0.19 0.00 -0.56 0.00 0.00 39.33 38.88 8dfr h ASP 101 CO -0.06 0.00 0.20 -0.94 -1.57 0.00 0.00 179.24 176.87 8dfr s SER 102 N -4.88 2.78 0.08 6.45 1.04 -0.01 -4.50 113.70 114.67 8dfr s SER 102 Ca 0.03 2.09 -0.21 0.00 0.48 0.00 0.00 55.95 58.34 8dfr s SER 102 Cb 0.09 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.61 8dfr s SER 102 CO 0.46 -3.18 1.35 -0.65 0.98 0.00 0.00 173.24 172.20 8dfr h PRO 103 N -1.92 -0.27 -0.34 4.02 0.11 -1.88 0.77 132.00 132.50 8dfr h PRO 103 Ca -0.45 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.75 8dfr h PRO 103 Cb 1.27 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.37 8dfr h PRO 103 CO 0.43 -0.18 -0.18 1.49 -0.21 0.00 0.00 178.00 179.35 8dfr h GLU 104 N -0.28 -0.12 0.35 1.05 4.81 -1.92 -3.15 114.58 115.31 8dfr h GLU 104 Ca 0.04 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 8dfr h GLU 104 Cb 0.39 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 8dfr h GLU 104 CO -0.36 -0.08 -0.17 -0.07 -0.73 0.00 0.00 179.01 177.60 8dfr h LEU 105 N -0.13 -0.40 -0.78 1.64 3.38 -1.79 -3.32 115.31 113.91 8dfr h LEU 105 Ca 0.17 -0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.18 8dfr h LEU 105 Cb 0.39 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.10 8dfr h LEU 105 CO -0.42 0.05 -0.20 1.17 0.09 0.00 0.00 178.44 179.13 8dfr n LYS 106 N -5.10 -0.08 0.10 1.13 3.00 0.27 0.17 118.16 117.64 8dfr n LYS 106 Ca -0.08 1.21 0.13 0.00 -0.00 0.00 0.00 58.31 59.57 8dfr n LYS 106 Cb 0.25 -1.81 0.44 0.00 0.00 0.00 0.00 35.03 33.91 8dfr n LYS 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 8dfr n SER 107 N -5.26 0.71 0.03 3.14 3.41 -1.20 -3.58 113.62 110.87 8dfr n SER 107 Ca 0.12 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 8dfr n SER 107 Cb 0.38 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 8dfr n SER 107 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 8dfr n LYS 108 N -2.17 0.38 -4.41 4.33 4.81 0.45 -4.83 118.16 116.72 8dfr n LYS 108 Ca 0.05 -0.02 -0.34 0.00 -0.87 0.00 0.00 58.31 57.13 8dfr n LYS 108 Cb 0.40 -1.61 -0.11 0.00 0.02 0.00 0.00 35.03 33.73 8dfr n LYS 108 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 8dfr s VAL 109 N -3.27 4.02 0.00 3.15 1.01 -0.66 -1.39 120.40 123.27 8dfr s VAL 109 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.66 8dfr s VAL 109 Cb 0.14 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.79 8dfr s VAL 109 CO 0.82 0.54 0.00 -0.67 0.00 0.00 0.00 175.10 175.79 8dfr n ASP 110 N 2.96 0.00 -4.86 3.32 2.03 -0.01 -4.87 116.55 115.13 8dfr n ASP 110 Ca -0.18 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 54.88 8dfr n ASP 110 Cb 0.53 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 8dfr n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 8dfr s MET 111 N 0.02 3.12 -0.14 -0.67 -1.94 -1.26 -4.96 119.30 113.46 8dfr s MET 111 Ca 0.00 -0.81 -0.00 0.00 -1.71 0.00 0.00 55.69 53.16 8dfr s MET 111 Cb 0.00 -2.75 -0.01 0.00 2.01 0.00 0.00 34.83 34.08 8dfr s MET 111 CO 0.00 0.47 -0.13 0.08 -0.01 0.00 0.00 175.02 175.43 8dfr s VAL 112 N -1.84 2.96 -0.07 -6.03 1.01 -1.26 -1.00 120.40 114.16 8dfr s VAL 112 Ca 0.33 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.67 8dfr s VAL 112 Cb -0.10 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 8dfr s VAL 112 CO 0.26 0.52 -0.24 0.26 0.00 0.00 0.00 175.10 175.90 8dfr s TRP 113 N 0.55 2.40 -0.20 5.22 0.52 0.98 -1.63 118.94 126.77 8dfr s TRP 113 Ca -0.08 -0.82 -0.13 0.00 0.02 0.00 0.00 56.10 55.08 8dfr s TRP 113 Cb -0.16 -1.59 -0.05 0.00 -1.15 0.00 0.00 33.47 30.53 8dfr s TRP 113 CO 0.04 -0.29 0.26 0.42 0.02 0.00 0.00 176.95 177.39 8dfr s ILE 114 N 0.07 5.31 -0.09 2.03 -1.09 0.15 -0.60 121.20 126.97 8dfr s ILE 114 Ca -0.10 0.44 0.13 0.00 -2.23 0.00 0.00 60.65 58.89 8dfr s ILE 114 Cb -0.15 -3.60 0.20 0.00 -1.58 0.00 0.00 42.46 37.34 8dfr s ILE 114 CO 0.06 0.35 1.10 1.33 -1.23 0.00 0.00 174.94 176.55 8dfr n VAL 115 N 3.96 1.59 0.00 2.92 0.24 -0.52 -1.89 118.33 124.64 8dfr n VAL 115 Ca -0.12 -1.86 0.00 0.00 -2.04 0.00 0.00 64.34 60.31 8dfr n VAL 115 Cb 0.52 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 8dfr n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 8dfr n GLY 116 N -1.15 0.65 0.00 7.63 0.00 -1.26 -4.96 105.19 106.11 8dfr n GLY 116 Ca 0.11 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.02 8dfr n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 8dfr n GLY 117 N 0.24 1.17 0.42 -0.02 0.00 -1.26 -0.84 105.19 104.90 8dfr n GLY 117 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 8dfr n GLY 117 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 8dfr h THR 118 N 0.00 0.02 0.00 2.61 2.02 -1.98 0.15 112.91 115.73 8dfr h THR 118 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 8dfr h THR 118 Cb 0.00 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 8dfr h THR 118 CO 0.00 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.66 8dfr h ALA 119 N 0.44 1.31 -0.14 6.16 0.00 -1.96 0.14 119.26 125.20 8dfr h ALA 119 Ca 0.16 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 8dfr h ALA 119 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 8dfr h ALA 119 CO -0.77 0.29 -0.33 0.28 0.00 0.00 0.00 179.25 178.72 8dfr h VAL 120 N 0.00 1.36 -0.48 0.00 2.07 -1.42 -2.05 116.25 115.73 8dfr h VAL 120 Ca -0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.91 8dfr h VAL 120 Cb 0.52 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 8dfr h VAL 120 CO 0.03 0.48 0.30 1.88 0.02 0.00 0.00 177.57 180.28 8dfr h TYR 121 N 0.10 0.62 -0.43 1.57 0.05 -0.34 -1.78 116.97 116.76 8dfr h TYR 121 Ca -0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 8dfr h TYR 121 Cb 0.94 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 8dfr h TYR 121 CO 0.10 0.41 0.27 -0.22 -1.05 0.00 0.00 178.16 177.68 8dfr h LYS 122 N 0.64 0.57 -0.60 4.88 3.64 -1.01 0.56 116.57 125.26 8dfr h LYS 122 Ca 0.17 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 8dfr h LYS 122 Cb -0.04 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 8dfr h LYS 122 CO -0.03 0.40 0.20 0.00 -2.27 0.00 0.00 179.45 177.75 8dfr h ALA 123 N 1.14 0.78 -0.66 5.00 0.00 -1.22 -1.94 119.26 122.36 8dfr h ALA 123 Ca 0.15 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 8dfr h ALA 123 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 8dfr h ALA 123 CO -0.03 0.43 0.12 0.00 0.00 0.00 0.00 179.25 179.77 8dfr h ALA 124 N 1.07 0.96 -0.04 0.00 0.00 -1.03 -2.77 119.26 117.45 8dfr h ALA 124 Ca 0.19 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 8dfr h ALA 124 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 8dfr h ALA 124 CO -0.01 0.65 -0.37 0.52 0.00 0.00 0.00 179.25 180.05 8dfr h MET 125 N 1.01 0.07 0.00 0.00 2.86 -0.53 -2.68 114.93 115.66 8dfr h MET 125 Ca 0.20 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 8dfr h MET 125 Cb 0.42 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 8dfr h MET 125 CO 0.01 0.44 -0.19 0.93 1.06 0.00 0.00 176.91 179.16 8dfr h GLU 126 N 0.06 0.00 -6.77 1.72 5.08 -1.08 -3.46 114.58 110.14 8dfr h GLU 126 Ca 0.01 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 8dfr h GLU 126 Cb 0.69 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.99 8dfr h GLU 126 CO 0.05 0.19 0.70 0.15 -1.00 0.00 0.00 179.01 179.10 8dfr s LYS 127 N -3.40 4.32 -1.43 2.33 -0.14 -1.01 -4.87 119.74 115.54 8dfr s LYS 127 Ca 0.03 2.22 -0.12 0.00 -1.36 0.00 0.00 55.97 56.74 8dfr s LYS 127 Cb 0.08 -3.12 0.06 0.00 -1.68 0.00 0.00 37.83 33.18 8dfr s LYS 127 CO 0.65 -0.32 2.22 -0.35 -0.76 0.00 0.00 175.35 176.79 8dfr n PRO 128 N 1.98 3.16 -3.88 -1.68 -0.04 -1.26 -4.79 135.00 128.49 8dfr n PRO 128 Ca 0.05 -2.81 -0.11 0.00 -0.04 0.00 0.00 63.50 60.59 8dfr n PRO 128 Cb 0.41 -3.14 -0.11 0.00 -0.04 0.00 0.00 33.50 30.62 8dfr n PRO 128 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 8dfr s ILE 129 N 2.31 0.07 0.19 0.52 2.07 -1.26 -4.95 121.20 120.14 8dfr s ILE 129 Ca 0.47 -0.55 -0.33 0.00 -1.41 0.00 0.00 60.65 58.84 8dfr s ILE 129 Cb 0.13 -0.35 -0.14 0.00 0.13 0.00 0.00 42.46 42.23 8dfr s ILE 129 CO -0.07 -0.30 1.36 0.59 -1.91 0.00 0.00 174.94 174.62 8dfr n ASN 130 N 1.85 2.31 -3.69 4.50 4.13 -1.26 -4.74 115.26 118.36 8dfr n ASN 130 Ca -0.20 1.13 -0.12 0.00 1.68 0.00 0.00 54.58 57.07 8dfr n ASN 130 Cb 0.56 -1.34 -0.09 0.00 -1.54 0.00 0.00 39.78 37.37 8dfr n ASN 130 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 8dfr s HIS 131 N 0.14 -0.62 -0.14 3.10 2.46 -0.52 -0.44 115.29 119.26 8dfr s HIS 131 Ca 0.73 1.42 -0.01 0.00 0.47 0.00 0.00 55.06 57.67 8dfr s HIS 131 Cb -0.74 0.26 -0.02 0.00 -0.13 0.00 0.00 32.58 31.95 8dfr s HIS 131 CO 0.48 -0.32 -0.10 1.03 -2.47 0.00 0.00 174.74 173.37 8dfr s ARG 132 N 0.72 3.46 -0.16 2.88 0.52 -0.75 -0.02 118.95 125.59 8dfr s ARG 132 Ca -0.04 -0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 54.53 8dfr s ARG 132 Cb -0.05 -2.74 -0.00 0.00 0.52 0.00 0.00 34.95 32.68 8dfr s ARG 132 CO -0.05 0.18 -0.13 -1.17 0.02 0.00 0.00 175.30 174.15 8dfr s LEU 133 N 0.45 2.58 -0.39 2.53 2.96 0.61 -0.79 118.68 126.64 8dfr s LEU 133 Ca -0.08 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.28 8dfr s LEU 133 Cb -0.15 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 44.97 8dfr s LEU 133 CO 0.04 0.07 0.23 -0.36 -1.32 0.00 0.00 176.35 175.02 8dfr s PHE 134 N 0.89 3.26 -0.10 5.38 0.40 -0.02 -0.62 117.98 127.17 8dfr s PHE 134 Ca -0.03 -1.01 0.01 0.00 -0.60 0.00 0.00 56.93 55.30 8dfr s PHE 134 Cb -0.15 -2.55 -0.02 0.00 0.51 0.00 0.00 43.02 40.81 8dfr s PHE 134 CO -0.01 -0.68 -0.12 0.08 0.70 0.00 0.00 175.22 175.19 8dfr s VAL 135 N 1.55 3.18 -0.34 -0.44 1.01 0.37 -1.41 120.40 124.33 8dfr s VAL 135 Ca 0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 8dfr s VAL 135 Cb -0.20 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 8dfr s VAL 135 CO 0.06 0.55 0.22 -0.89 0.00 0.00 0.00 175.10 175.04 8dfr s THR 136 N -0.09 5.06 -0.35 3.92 2.01 -0.32 -0.10 115.64 125.77 8dfr s THR 136 Ca -0.01 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 8dfr s THR 136 Cb -0.14 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 8dfr s THR 136 CO 0.03 -0.01 0.39 -0.13 -0.69 0.00 0.00 174.62 174.22 8dfr s ARG 137 N 1.68 3.53 -0.21 4.92 0.52 0.12 -0.96 118.95 128.55 8dfr s ARG 137 Ca 0.05 -0.41 -0.18 0.00 -0.52 0.00 0.00 55.73 54.67 8dfr s ARG 137 Cb -0.17 -3.82 -0.03 0.00 0.52 0.00 0.00 34.95 31.45 8dfr s ARG 137 CO 0.09 -0.57 0.52 0.42 0.02 0.00 0.00 175.30 175.78 8dfr s ILE 138 N 2.08 5.10 -0.54 1.52 1.01 0.36 -0.92 121.20 129.80 8dfr s ILE 138 Ca 0.13 0.94 -0.05 0.00 0.00 0.00 0.00 60.65 61.67 8dfr s ILE 138 Cb -0.16 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 8dfr s ILE 138 CO 0.12 0.16 2.96 0.18 0.00 0.00 0.00 174.94 178.36 8dfr n LEU 139 N 4.95 6.53 -3.87 2.97 4.77 -0.31 -3.03 117.00 129.02 8dfr n LEU 139 Ca -0.05 -3.97 -0.09 0.00 -0.03 0.00 0.00 56.01 51.88 8dfr n LEU 139 Cb 0.50 -1.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.23 8dfr n LEU 139 CO 0.42 1.80 0.29 -1.00 -1.33 0.00 0.00 177.39 177.56 8dfr s HIS 140 N -0.64 0.04 -0.06 -1.77 3.76 -1.26 -4.85 115.29 110.50 8dfr s HIS 140 Ca 0.61 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 55.12 8dfr s HIS 140 Cb 0.32 0.40 -0.03 0.00 1.11 0.00 0.00 32.58 34.39 8dfr s HIS 140 CO -0.13 -1.03 -0.10 -1.21 -0.85 0.00 0.00 174.74 171.42 8dfr s GLU 141 N -3.94 2.68 0.16 1.40 2.02 -1.26 -1.34 118.70 118.42 8dfr s GLU 141 Ca 0.15 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.60 8dfr s GLU 141 Cb -0.02 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 8dfr s GLU 141 CO 0.04 0.64 -0.13 -0.06 0.02 0.00 0.00 175.26 175.77 8dfr s PHE 142 N -0.75 1.49 0.07 1.61 0.08 -1.26 -5.01 117.98 114.21 8dfr s PHE 142 Ca 0.11 -0.61 -0.30 0.00 0.12 0.00 0.00 56.93 56.26 8dfr s PHE 142 Cb -0.11 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.55 8dfr s PHE 142 CO 0.01 0.21 1.11 -1.83 -0.10 0.00 0.00 175.22 174.62 8dfr s GLU 143 N -3.25 4.51 0.12 0.44 -1.05 -1.26 -4.89 118.70 113.32 8dfr s GLU 143 Ca 0.15 1.65 0.04 0.00 -0.15 0.00 0.00 54.97 56.67 8dfr s GLU 143 Cb -0.02 -3.37 -0.04 0.00 -0.44 0.00 0.00 34.13 30.27 8dfr s GLU 143 CO 0.04 -0.12 -0.10 -1.12 0.95 0.00 0.00 175.26 174.91 8dfr s SER 144 N 0.79 1.58 0.00 0.83 0.01 -1.26 -4.75 113.70 110.90 8dfr s SER 144 Ca 0.55 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.86 8dfr s SER 144 Cb -0.27 0.01 0.00 0.00 0.21 0.00 0.00 66.02 65.97 8dfr s SER 144 CO 0.30 -0.33 0.64 -0.90 0.41 0.00 0.00 173.24 173.36 8dfr n ASP 145 N 0.07 1.13 -3.79 2.44 5.68 0.43 -4.98 116.55 117.52 8dfr n ASP 145 Ca -0.12 -1.40 -0.13 0.00 -0.50 0.00 0.00 54.79 52.63 8dfr n ASP 145 Cb 0.60 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.44 8dfr n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 8dfr s THR 146 N -0.40 -0.03 0.18 2.12 2.01 -1.04 -5.01 115.64 113.47 8dfr s THR 146 Ca 0.00 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.17 8dfr s THR 146 Cb 0.00 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 8dfr s THR 146 CO 0.00 0.04 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.48 8dfr s PHE 147 N 0.64 1.55 0.26 4.92 0.40 -1.26 -0.79 117.98 123.70 8dfr s PHE 147 Ca -0.05 -0.62 -0.29 0.00 -0.60 0.00 0.00 56.93 55.36 8dfr s PHE 147 Cb -0.07 -0.75 -0.09 0.00 0.51 0.00 0.00 43.02 42.63 8dfr s PHE 147 CO -0.03 0.25 0.95 0.12 0.70 0.00 0.00 175.22 177.22 8dfr s PHE 148 N -2.96 3.91 0.97 0.36 5.36 0.41 -4.63 117.98 121.41 8dfr s PHE 148 Ca 0.19 1.88 -0.11 0.00 -0.96 0.00 0.00 56.93 57.93 8dfr s PHE 148 Cb -0.00 -3.00 0.17 0.00 -0.34 0.00 0.00 43.02 39.85 8dfr s PHE 148 CO 0.05 0.34 1.09 -1.25 -1.46 0.00 0.00 175.22 173.98 8dfr s PRO 149 N -1.33 0.61 0.16 10.12 0.04 -1.26 -4.95 135.00 138.39 8dfr s PRO 149 Ca 0.43 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 8dfr s PRO 149 Cb -0.26 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 8dfr s PRO 149 CO 0.32 -2.74 1.22 -1.21 0.04 0.00 0.00 177.00 174.63 8dfr s GLU 150 N -4.73 4.46 -0.09 4.56 2.02 -1.26 -5.01 118.70 118.65 8dfr s GLU 150 Ca 0.66 1.88 -0.14 0.00 0.02 0.00 0.00 54.97 57.39 8dfr s GLU 150 Cb -0.21 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 8dfr s GLU 150 CO 0.59 -0.16 0.35 0.96 0.02 0.00 0.00 175.26 177.03 8dfr s ILE 151 N 0.26 5.20 -0.75 -1.63 -5.25 -1.26 -5.04 121.20 112.73 8dfr s ILE 151 Ca 0.55 0.70 -0.26 0.00 -0.99 0.00 0.00 60.65 60.64 8dfr s ILE 151 Cb -0.33 -3.67 0.03 0.00 2.95 0.00 0.00 42.46 41.45 8dfr s ILE 151 CO 0.35 0.47 1.26 -0.62 -1.79 0.00 0.00 174.94 174.61 8dfr s ASP 152 N -0.20 6.18 0.00 4.36 -1.08 -1.26 -4.85 116.67 119.82 8dfr s ASP 152 Ca 0.21 -0.55 0.07 0.00 -0.52 0.00 0.00 52.55 51.75 8dfr s ASP 152 Cb -0.15 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.07 8dfr s ASP 152 CO 0.08 -1.79 1.15 -1.22 0.52 0.00 0.00 175.17 173.92 8dfr n TYR 153 N 9.21 0.00 0.12 -5.34 4.01 -1.26 -0.22 117.16 123.68 8dfr n TYR 153 Ca 0.04 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.83 8dfr n TYR 153 Cb 0.49 -0.41 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 8dfr n TYR 153 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 8dfr h LYS 154 N 0.00 0.00 0.01 -0.72 1.57 -2.03 -3.38 116.57 112.03 8dfr h LYS 154 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 8dfr h LYS 154 Cb 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 8dfr h LYS 154 CO 0.00 0.28 -2.42 -0.25 -0.57 0.00 0.00 179.45 176.49 8dfr n ASP 155 N -3.03 1.97 -4.51 0.86 10.43 0.41 -4.84 116.55 117.84 8dfr n ASP 155 Ca -0.01 0.12 -0.43 0.00 2.57 0.00 0.00 54.79 57.04 8dfr n ASP 155 Cb 0.70 -0.64 -0.07 0.00 1.84 0.00 0.00 41.12 42.94 8dfr n ASP 155 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 8dfr s PHE 156 N -2.51 3.11 -0.12 1.24 0.08 0.69 -4.17 117.98 116.30 8dfr s PHE 156 Ca -0.36 -0.11 -0.12 0.00 0.12 0.00 0.00 56.93 56.47 8dfr s PHE 156 Cb 0.11 -3.17 -0.05 0.00 -0.57 0.00 0.00 43.02 39.35 8dfr s PHE 156 CO 0.56 -0.78 0.26 0.15 -0.10 0.00 0.00 175.22 175.31 8dfr s LYS 157 N 2.58 3.94 0.05 0.44 -0.14 -0.35 -4.51 119.74 121.74 8dfr s LYS 157 Ca 0.19 0.07 -0.31 0.00 -1.36 0.00 0.00 55.97 54.56 8dfr s LYS 157 Cb -0.15 -3.31 -0.06 0.00 -1.68 0.00 0.00 37.83 32.63 8dfr s LYS 157 CO 0.17 0.50 1.34 -1.17 -0.76 0.00 0.00 175.35 175.43 8dfr s LEU 158 N -0.32 4.34 0.31 3.17 2.96 -1.26 0.09 118.68 127.97 8dfr s LEU 158 Ca 0.17 2.15 -0.20 0.00 -0.22 0.00 0.00 54.13 56.03 8dfr s LEU 158 Cb -0.13 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 8dfr s LEU 158 CO 0.05 -0.64 0.81 -0.76 -1.32 0.00 0.00 176.35 174.50 8dfr s LEU 159 N 1.66 4.19 0.17 -0.68 1.43 0.73 -4.96 118.68 121.24 8dfr s LEU 159 Ca 0.63 1.51 0.23 0.00 -1.03 0.00 0.00 54.13 55.47 8dfr s LEU 159 Cb -0.32 -3.98 0.15 0.00 0.03 0.00 0.00 46.19 42.07 8dfr s LEU 159 CO 0.28 -0.12 1.18 0.71 0.23 0.00 0.00 176.35 178.62 8dfr h THR 160 N 2.35 0.00 -2.57 5.49 1.35 -1.95 -3.42 112.91 114.15 8dfr h THR 160 Ca -0.48 -0.77 -0.09 0.00 -0.55 0.00 0.00 66.41 64.52 8dfr h THR 160 Cb 1.19 1.31 -0.20 0.00 -1.73 0.00 0.00 68.15 68.72 8dfr h THR 160 CO 0.64 0.00 -0.07 -0.70 -0.25 0.00 0.00 175.52 175.14 8dfr s GLU 161 N -3.27 0.83 -0.18 4.72 2.12 -1.26 -5.02 118.70 116.64 8dfr s GLU 161 Ca 0.03 0.04 -0.11 0.00 0.36 0.00 0.00 54.97 55.29 8dfr s GLU 161 Cb 0.11 0.38 0.06 0.00 0.26 0.00 0.00 34.13 34.94 8dfr s GLU 161 CO 0.76 -0.24 0.44 -0.47 -0.54 0.00 0.00 175.26 175.21 8dfr s TYR 162 N -1.20 -0.63 -0.31 5.30 5.04 -1.26 -5.08 117.35 119.20 8dfr s TYR 162 Ca -0.12 1.36 -0.38 0.00 -2.44 0.00 0.00 57.07 55.49 8dfr s TYR 162 Cb -0.03 0.29 -0.14 0.00 0.35 0.00 0.00 41.96 42.43 8dfr s TYR 162 CO 0.07 -0.35 1.95 -0.35 -1.34 0.00 0.00 175.55 175.53 8dfr n PRO 163 N 4.08 1.12 -0.73 4.97 -0.04 -1.26 -1.30 135.00 141.83 8dfr n PRO 163 Ca -0.22 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 8dfr n PRO 163 Cb 0.56 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 8dfr n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 8dfr n GLY 164 N 5.34 0.61 3.12 0.55 0.00 -1.26 -5.03 105.19 108.52 8dfr n GLY 164 Ca 0.34 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 8dfr n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 8dfr s VAL 165 N -2.00 2.28 0.42 1.61 1.01 -0.42 -5.09 120.40 118.21 8dfr s VAL 165 Ca 0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.58 8dfr s VAL 165 Cb 0.00 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 8dfr s VAL 165 CO 0.00 0.30 1.16 -2.65 0.00 0.00 0.00 175.10 173.91 8dfr n PRO 166 N 4.58 1.66 0.02 2.72 -0.02 -1.26 -4.56 135.00 138.13 8dfr n PRO 166 Ca -0.18 0.59 -0.22 0.00 -2.02 0.00 0.00 63.50 61.67 8dfr n PRO 166 Cb 0.47 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 8dfr n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 8dfr h ALA 167 N 1.82 0.35 -2.39 3.55 0.00 -1.95 -3.41 119.26 117.23 8dfr h ALA 167 Ca -0.46 -1.32 -0.52 0.00 0.00 0.00 0.00 54.91 52.61 8dfr h ALA 167 Cb 1.31 0.64 0.16 0.00 0.00 0.00 0.00 17.79 19.91 8dfr h ALA 167 CO 0.58 1.20 0.30 -0.51 0.00 0.00 0.00 179.25 180.83 8dfr s ASP 168 N -7.10 3.86 0.19 0.00 1.01 -1.26 -4.81 116.67 108.57 8dfr s ASP 168 Ca -0.21 2.10 -0.31 0.00 0.71 0.00 0.00 52.55 54.84 8dfr s ASP 168 Cb 0.06 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 8dfr s ASP 168 CO 0.78 -2.47 1.41 -0.63 0.21 0.00 0.00 175.17 174.46 8dfr s ILE 169 N -2.56 2.98 0.32 0.77 1.01 -1.26 -4.71 121.20 117.75 8dfr s ILE 169 Ca 0.67 0.77 0.04 0.00 0.00 0.00 0.00 60.65 62.12 8dfr s ILE 169 Cb -0.22 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 8dfr s ILE 169 CO 0.53 0.10 0.47 -1.10 0.00 0.00 0.00 174.94 174.94 8dfr s GLN 170 N 0.29 3.30 -0.05 2.79 -1.52 0.11 -4.94 119.66 119.63 8dfr s GLN 170 Ca 0.61 -0.72 -0.05 0.00 -1.95 0.00 0.00 55.36 53.25 8dfr s GLN 170 Cb -0.39 -2.78 0.01 0.00 -0.22 0.00 0.00 33.01 29.63 8dfr s GLN 170 CO 0.37 0.17 0.15 -2.00 -0.25 0.00 0.00 175.29 173.72 8dfr s GLU 171 N -4.18 0.20 -0.25 2.91 2.12 -1.26 -1.44 118.70 116.80 8dfr s GLU 171 Ca 0.40 0.17 -0.20 0.00 0.36 0.00 0.00 54.97 55.70 8dfr s GLU 171 Cb -0.09 0.09 0.07 0.00 0.26 0.00 0.00 34.13 34.46 8dfr s GLU 171 CO 0.32 -0.03 0.64 -2.00 -0.54 0.00 0.00 175.26 173.65 8dfr s GLU 172 N -0.02 0.72 -1.58 4.30 2.12 0.09 -4.93 118.70 119.41 8dfr s GLU 172 Ca -0.01 0.96 -0.15 0.00 0.36 0.00 0.00 54.97 56.13 8dfr s GLU 172 Cb -0.01 0.29 0.11 0.00 0.26 0.00 0.00 34.13 34.77 8dfr s GLU 172 CO 0.00 -0.11 0.92 -0.25 -0.54 0.00 0.00 175.26 175.28 8dfr n ASP 173 N 3.19 -4.26 0.00 -1.70 8.00 -1.26 -0.90 116.55 119.62 8dfr n ASP 173 Ca -0.16 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.49 8dfr n ASP 173 Cb 0.56 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 8dfr n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 8dfr n GLY 174 N -1.61 0.66 3.67 0.44 0.00 -1.26 -5.00 105.19 102.10 8dfr n GLY 174 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 8dfr n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 8dfr s ILE 175 N -2.94 4.27 0.09 -0.61 -1.09 -0.08 -5.13 121.20 115.71 8dfr s ILE 175 Ca 0.00 -0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 8dfr s ILE 175 Cb 0.00 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 8dfr s ILE 175 CO 0.00 0.61 0.05 -1.10 -1.23 0.00 0.00 174.94 173.27 8dfr s GLN 176 N -0.88 2.76 0.14 2.79 -0.21 -1.26 -0.73 119.66 122.27 8dfr s GLN 176 Ca 0.13 -0.76 -0.17 0.00 0.02 0.00 0.00 55.36 54.58 8dfr s GLN 176 Cb -0.11 -2.65 0.04 0.00 1.00 0.00 0.00 33.01 31.29 8dfr s GLN 176 CO 0.02 0.55 0.44 1.52 -2.12 0.00 0.00 175.29 175.70 8dfr s TYR 177 N -1.39 -0.23 0.03 0.91 -0.85 -0.52 -1.16 117.35 114.14 8dfr s TYR 177 Ca 0.28 -0.08 0.03 0.00 -0.52 0.00 0.00 57.07 56.78 8dfr s TYR 177 Cb -0.12 0.31 -0.02 0.00 0.38 0.00 0.00 41.96 42.51 8dfr s TYR 177 CO 0.21 -0.74 -0.09 -1.59 -1.52 0.00 0.00 175.55 171.81 8dfr s LYS 178 N -3.81 0.63 -0.14 -3.49 -2.85 -0.10 0.08 119.74 110.06 8dfr s LYS 178 Ca 0.04 -0.66 -0.15 0.00 -1.00 0.00 0.00 55.97 54.20 8dfr s LYS 178 Cb 0.01 -0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 35.22 8dfr s LYS 178 CO -0.11 0.12 0.34 -0.06 0.10 0.00 0.00 175.35 175.74 8dfr s PHE 179 N -0.98 3.50 0.08 1.78 0.08 -1.26 0.13 117.98 121.31 8dfr s PHE 179 Ca -0.04 0.69 0.05 0.00 0.12 0.00 0.00 56.93 57.76 8dfr s PHE 179 Cb -0.08 -2.37 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 8dfr s PHE 179 CO 0.01 0.28 -0.15 -1.21 -0.10 0.00 0.00 175.22 174.05 8dfr s GLU 180 N 0.30 0.88 -0.07 0.44 2.02 0.85 -4.92 118.70 118.20 8dfr s GLU 180 Ca 0.19 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 54.16 8dfr s GLU 180 Cb -0.14 -0.88 0.02 0.00 0.10 0.00 0.00 34.13 33.23 8dfr s GLU 180 CO 0.06 0.19 -0.10 0.08 0.02 0.00 0.00 175.26 175.51 8dfr s VAL 181 N -1.47 0.99 0.09 2.63 1.01 -1.26 -0.48 120.40 121.91 8dfr s VAL 181 Ca 0.01 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.72 8dfr s VAL 181 Cb -0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 8dfr s VAL 181 CO 0.02 0.33 -0.21 -0.31 0.00 0.00 0.00 175.10 174.94 8dfr s TYR 182 N 0.98 2.46 -0.03 5.22 1.51 0.21 -0.19 117.35 127.51 8dfr s TYR 182 Ca -0.09 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 8dfr s TYR 182 Cb -0.15 -1.36 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 8dfr s TYR 182 CO 0.00 0.31 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.59 8dfr s GLN 183 N -1.84 0.50 -0.16 -0.62 0.74 0.11 -0.28 119.66 118.10 8dfr s GLN 183 Ca 0.15 -0.05 -0.03 0.00 0.05 0.00 0.00 55.36 55.48 8dfr s GLN 183 Cb -0.10 -0.57 -0.02 0.00 1.10 0.00 0.00 33.01 33.42 8dfr s GLN 183 CO 0.07 -0.05 -0.05 0.21 -0.55 0.00 0.00 175.29 174.91 8dfr s LYS 184 N 0.68 3.57 -0.16 1.67 2.20 0.97 -1.21 119.74 127.45 8dfr s LYS 184 Ca -0.08 -0.57 -0.04 0.00 -0.36 0.00 0.00 55.97 54.93 8dfr s LYS 184 Cb -0.11 -2.89 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 8dfr s LYS 184 CO -0.01 0.15 -0.03 -1.12 -0.36 0.00 0.00 175.35 173.98 8dfr s SER 185 N 0.59 4.77 0.00 1.43 0.01 -1.26 -1.44 113.70 117.79 8dfr s SER 185 Ca -0.04 -0.15 0.13 0.00 1.31 0.00 0.00 55.95 57.20 8dfr s SER 185 Cb -0.15 -1.78 0.10 0.00 0.21 0.00 0.00 66.02 64.40 8dfr s SER 185 CO 0.03 0.15 0.90 0.52 0.41 0.00 0.00 173.24 175.25