#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyo s ASP 2 N 0.00 6.38 -0.09 6.12 1.01 -1.26 -3.79 116.67 125.04 3fyo s ASP 2 Ca 0.00 0.58 0.03 0.00 0.71 0.00 0.00 52.55 53.86 3fyo s ASP 2 Cb 0.00 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.85 3fyo s ASP 2 CO 0.00 -0.21 -0.16 -0.63 0.21 0.00 0.00 175.17 174.38 3fyo s ILE 3 N -2.14 1.50 -0.11 0.77 1.01 0.53 -4.98 121.20 117.78 3fyo s ILE 3 Ca 0.42 -0.68 -0.27 0.00 0.00 0.00 0.00 60.65 60.12 3fyo s ILE 3 Cb -0.10 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 3fyo s ILE 3 CO 0.32 0.44 0.88 -0.54 0.00 0.00 0.00 174.94 176.04 3fyo s LYS 4 N 0.65 4.39 -0.45 2.79 -0.14 -1.26 -0.84 119.74 124.89 3fyo s LYS 4 Ca -0.14 1.16 0.04 0.00 -1.36 0.00 0.00 55.97 55.66 3fyo s LYS 4 Cb -0.16 -3.53 0.12 0.00 -1.68 0.00 0.00 37.83 32.58 3fyo s LYS 4 CO 0.04 -0.22 0.18 0.42 -0.76 0.00 0.00 175.35 175.01 3fyo s ILE 5 N 1.73 2.29 0.00 2.17 1.01 0.09 -4.97 121.20 123.52 3fyo s ILE 5 Ca 0.43 -2.85 0.00 0.00 0.00 0.00 0.00 60.65 58.23 3fyo s ILE 5 Cb -0.18 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3fyo s ILE 5 CO 0.17 -0.74 0.00 0.59 0.00 0.00 0.00 174.94 174.96 3fyo n ASN 6 N 3.59 0.00 -0.17 3.58 5.03 -1.26 -1.82 115.26 124.21 3fyo n ASN 6 Ca 0.05 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.63 3fyo n ASN 6 Cb 0.36 0.00 0.44 0.00 -1.02 0.00 0.00 39.78 39.56 3fyo n ASN 6 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3fyo n ASP 7 N 9.66 0.77 -4.81 6.41 5.75 -1.26 -4.87 116.55 128.19 3fyo n ASP 7 Ca 0.00 -0.68 -0.36 0.00 -0.01 0.00 0.00 54.79 53.74 3fyo n ASP 7 Cb 0.00 0.07 -0.07 0.00 -1.03 0.00 0.00 41.12 40.09 3fyo n ASP 7 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3fyo s ILE 8 N -2.57 5.38 -0.26 2.12 1.01 -0.76 -5.08 121.20 121.04 3fyo s ILE 8 Ca 0.24 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.97 3fyo s ILE 8 Cb 0.19 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 3fyo s ILE 8 CO 0.53 0.55 0.10 -0.89 0.00 0.00 0.00 174.94 175.23 3fyo s THR 9 N -0.51 4.48 -0.25 2.92 2.01 -1.26 -0.73 115.64 122.30 3fyo s THR 9 Ca 0.12 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.88 3fyo s THR 9 Cb -0.12 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 3fyo s THR 9 CO 0.02 0.28 0.06 -0.22 -0.69 0.00 0.00 174.62 174.07 3fyo s LEU 10 N 1.63 3.44 -0.07 4.42 2.96 -0.02 -4.80 118.68 126.24 3fyo s LEU 10 Ca 0.06 -0.31 -0.31 0.00 -0.22 0.00 0.00 54.13 53.35 3fyo s LEU 10 Cb -0.16 -1.90 0.12 0.00 0.50 0.00 0.00 46.19 44.76 3fyo s LEU 10 CO 0.05 -0.06 1.09 -0.83 -1.32 0.00 0.00 176.35 175.29 3fyo s GLY 11 N 1.58 -0.36 0.00 7.98 0.00 -1.26 -0.35 107.32 114.92 3fyo s GLY 11 Ca 0.06 1.11 0.19 0.00 0.00 0.00 0.00 44.72 46.07 3fyo s GLY 11 CO 0.03 0.35 1.56 0.70 0.00 0.00 0.00 173.10 175.74 3fyo n ASN 12 N -0.25 0.00 -0.16 1.64 3.02 -1.26 -1.40 115.26 116.86 3fyo n ASN 12 Ca -0.05 0.02 0.05 0.00 -0.03 0.00 0.00 54.58 54.57 3fyo n ASN 12 Cb 0.60 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.47 3fyo n ASN 12 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fyo n ASN 13 N -1.28 0.97 -4.97 6.41 3.02 -1.26 -4.32 115.26 113.82 3fyo n ASN 13 Ca 0.09 -0.98 -0.21 0.00 -0.03 0.00 0.00 54.58 53.45 3fyo n ASN 13 Cb 0.15 0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 39.92 3fyo n ASN 13 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3fyo s SER 14 N -1.45 6.17 0.23 6.41 0.01 -0.49 -4.99 113.70 119.59 3fyo s SER 14 Ca 0.07 0.03 -0.31 0.00 1.31 0.00 0.00 55.95 57.05 3fyo s SER 14 Cb 0.07 -1.65 -0.15 0.00 0.21 0.00 0.00 66.02 64.51 3fyo s SER 14 CO 0.27 -0.25 1.17 -2.65 0.41 0.00 0.00 173.24 172.19 3fyo n PRO 15 N -1.56 1.44 -2.00 12.44 -0.02 -1.26 -4.82 135.00 139.22 3fyo n PRO 15 Ca -0.05 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.56 3fyo n PRO 15 Cb 0.57 -2.00 0.01 0.00 -0.02 0.00 0.00 33.50 32.06 3fyo n PRO 15 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3fyo s PHE 16 N -0.48 2.64 -0.17 6.00 -0.12 -1.26 -4.85 117.98 119.74 3fyo s PHE 16 Ca 0.67 1.42 -0.08 0.00 -0.05 0.00 0.00 56.93 58.89 3fyo s PHE 16 Cb -0.75 -3.65 -0.04 0.00 -0.63 0.00 0.00 43.02 37.94 3fyo s PHE 16 CO 0.55 -2.25 0.10 0.08 -0.05 0.00 0.00 175.22 173.64 3fyo s VAL 17 N -1.35 5.11 -0.14 -2.49 1.01 -0.49 -4.35 120.40 117.70 3fyo s VAL 17 Ca 0.63 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.48 3fyo s VAL 17 Cb -0.37 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3fyo s VAL 17 CO 0.45 0.50 0.61 -0.22 0.00 0.00 0.00 175.10 176.43 3fyo s LEU 18 N -0.00 4.22 -0.23 3.92 2.96 -0.51 -1.23 118.68 127.81 3fyo s LEU 18 Ca 0.08 0.92 -0.05 0.00 -0.22 0.00 0.00 54.13 54.85 3fyo s LEU 18 Cb -0.12 -2.89 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 3fyo s LEU 18 CO 0.00 -0.16 0.01 -0.36 -1.32 0.00 0.00 176.35 174.52 3fyo s PHE 19 N 1.27 3.01 -0.23 5.38 0.40 -0.02 -0.95 117.98 126.85 3fyo s PHE 19 Ca 0.30 -0.72 -0.26 0.00 -0.60 0.00 0.00 56.93 55.64 3fyo s PHE 19 Cb -0.16 -2.16 0.09 0.00 0.51 0.00 0.00 43.02 41.30 3fyo s PHE 19 CO 0.12 -0.47 0.82 0.20 0.70 0.00 0.00 175.22 176.59 3fyo s GLY 20 N 1.54 -0.42 0.00 4.36 0.00 -0.83 -0.06 107.32 111.91 3fyo s GLY 20 Ca 0.06 2.08 0.00 0.00 0.00 0.00 0.00 44.72 46.86 3fyo s GLY 20 CO -0.00 1.58 0.00 0.61 0.00 0.00 0.00 173.10 175.28 3fyo n GLY 21 N 2.09 0.24 3.31 0.20 0.00 -1.23 -1.47 105.19 108.34 3fyo n GLY 21 Ca -0.14 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 3fyo n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fyo s ILE 22 N 2.59 0.05 -0.08 -0.61 -4.36 -0.16 -4.09 121.20 114.55 3fyo s ILE 22 Ca 0.00 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.38 3fyo s ILE 22 Cb 0.00 -2.48 -0.00 0.00 1.25 0.00 0.00 42.46 41.23 3fyo s ILE 22 CO 0.00 0.00 -0.01 0.00 0.24 0.00 0.00 174.94 175.17 3fyo s VAL 24 N -1.49 0.03 0.36 0.00 0.11 -1.26 -2.48 120.40 115.67 3fyo s VAL 24 Ca -0.01 -0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 58.49 3fyo s VAL 24 Cb 0.00 -0.25 -0.09 0.00 -1.53 0.00 0.00 36.38 34.52 3fyo s VAL 24 CO 0.02 -0.16 1.09 -0.76 -3.33 0.00 0.00 175.10 171.97 3fyo s LEU 25 N -0.49 4.28 0.04 2.54 1.43 0.61 -4.89 118.68 122.20 3fyo s LEU 25 Ca -0.06 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 3fyo s LEU 25 Cb -0.04 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 42.22 3fyo s LEU 25 CO 0.00 -0.43 0.00 -0.62 0.23 0.00 0.00 176.35 175.54 3fyo n GLU 26 N 0.37 0.00 -3.91 1.70 1.02 -1.26 -2.67 120.64 115.88 3fyo n GLU 26 Ca 0.03 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.08 3fyo n GLU 26 Cb 0.47 -0.41 -0.09 0.00 -0.02 0.00 0.00 31.44 31.39 3fyo n GLU 26 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3fyo s SER 27 N -5.26 0.16 0.12 1.62 1.04 -1.26 -4.74 113.70 105.38 3fyo s SER 27 Ca 0.00 -0.55 -0.18 0.00 0.48 0.00 0.00 55.95 55.70 3fyo s SER 27 Cb 0.00 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 3fyo s SER 27 CO 0.00 -0.56 1.72 0.25 0.98 0.00 0.00 173.24 175.63 3fyo h LEU 28 N 3.44 0.34 -0.64 2.42 5.85 -1.98 -1.98 115.31 122.76 3fyo h LEU 28 Ca -0.33 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.16 3fyo h LEU 28 Cb 1.19 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3fyo h LEU 28 CO 0.52 0.33 -0.66 0.44 -0.34 0.00 0.00 178.44 178.72 3fyo h ASP 29 N 0.33 0.11 0.59 1.25 3.32 -1.99 -2.30 116.42 117.72 3fyo h ASP 29 Ca 0.10 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 3fyo h ASP 29 Cb 0.06 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3fyo h ASP 29 CO -0.02 0.74 -0.67 -1.28 -1.72 0.00 0.00 179.24 176.29 3fyo h SER 30 N 0.07 0.08 0.78 6.45 0.87 -1.93 -2.75 113.55 117.12 3fyo h SER 30 Ca -0.01 -0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.32 3fyo h SER 30 Cb 1.18 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 3fyo h SER 30 CO 0.09 0.73 -0.82 0.71 -0.53 0.00 0.00 176.83 177.01 3fyo h THR 31 N 0.05 1.57 0.02 2.23 1.35 -1.03 -2.92 112.91 114.18 3fyo h THR 31 Ca -0.01 -2.75 -0.21 0.00 -0.55 0.00 0.00 66.41 62.88 3fyo h THR 31 Cb 1.19 2.49 -0.01 0.00 -1.73 0.00 0.00 68.15 70.09 3fyo h THR 31 CO 0.09 0.79 -0.94 -0.07 -0.25 0.00 0.00 175.52 175.14 3fyo h LEU 32 N 0.01 0.33 -0.31 3.87 3.38 -1.39 -2.01 115.31 119.20 3fyo h LEU 32 Ca -0.01 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3fyo h LEU 32 Cb 1.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3fyo h LEU 32 CO 0.11 1.10 -0.06 -0.61 0.09 0.00 0.00 178.44 179.07 3fyo h GLN 33 N 0.13 0.58 -0.23 1.13 4.15 -1.39 0.18 115.11 119.67 3fyo h GLN 33 Ca -0.06 -0.22 -0.14 0.00 0.77 0.00 0.00 58.65 59.01 3fyo h GLN 33 Cb 1.58 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 29.23 3fyo h GLN 33 CO 0.15 0.76 -0.39 1.15 -1.93 0.00 0.00 178.83 178.57 3fyo h THR 34 N 0.36 1.32 -0.34 2.39 2.02 -1.53 -2.74 112.91 114.39 3fyo h THR 34 Ca 0.08 -1.60 -0.06 0.00 0.77 0.00 0.00 66.41 65.60 3fyo h THR 34 Cb 0.54 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3fyo h THR 34 CO 0.03 0.50 -0.06 0.00 0.37 0.00 0.00 175.52 176.37 3fyo h ALA 36 N 1.43 1.26 -0.25 0.00 0.00 -0.80 -0.55 119.26 120.35 3fyo h ALA 36 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3fyo h ALA 36 Cb 0.42 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fyo h ALA 36 CO 0.02 0.65 -0.31 1.25 0.00 0.00 0.00 179.25 180.86 3fyo h HIS 37 N 1.28 0.80 -0.93 0.00 6.17 -1.13 -1.03 115.15 120.31 3fyo h HIS 37 Ca 0.34 -0.25 0.06 0.00 0.71 0.00 0.00 60.37 61.22 3fyo h HIS 37 Cb -0.08 -0.16 -0.06 0.00 2.52 0.00 0.00 27.41 29.63 3fyo h HIS 37 CO 0.00 0.99 0.59 1.88 0.71 0.00 0.00 177.93 182.11 3fyo h TYR 38 N 0.37 1.10 -0.34 5.26 -1.99 -0.99 -1.79 116.97 118.59 3fyo h TYR 38 Ca 0.03 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.70 3fyo h TYR 38 Cb 0.88 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 3fyo h TYR 38 CO 0.08 0.57 -0.15 0.28 -0.00 0.00 0.00 178.16 178.94 3fyo h VAL 39 N 1.08 1.29 0.05 -2.88 2.07 -0.94 -0.45 116.25 116.47 3fyo h VAL 39 Ca 0.40 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3fyo h VAL 39 Cb 0.15 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3fyo h VAL 39 CO -0.17 0.41 -0.05 -0.08 0.02 0.00 0.00 177.57 177.70 3fyo h GLU 40 N 0.47 -0.11 -0.11 1.57 4.22 -0.96 0.59 114.58 120.25 3fyo h GLU 40 Ca 0.08 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 3fyo h GLU 40 Cb 0.68 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 3fyo h GLU 40 CO 0.05 -0.07 -0.02 0.28 -2.18 0.00 0.00 179.01 177.07 3fyo h VAL 41 N -0.11 1.28 -0.74 0.32 2.07 -1.30 -2.77 116.25 115.00 3fyo h VAL 41 Ca 0.00 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3fyo h VAL 41 Cb 0.11 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3fyo h VAL 41 CO -0.01 0.26 0.23 0.71 0.02 0.00 0.00 177.57 178.78 3fyo h THR 42 N -0.10 1.26 -0.21 2.57 1.35 -1.06 -2.27 112.91 114.45 3fyo h THR 42 Ca 0.03 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 3fyo h THR 42 Cb 0.41 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 3fyo h THR 42 CO 0.01 0.36 0.13 -0.09 -0.25 0.00 0.00 175.52 175.68 3fyo h ARG 43 N 1.11 0.28 0.00 4.72 2.43 -0.87 0.71 114.38 122.75 3fyo h ARG 43 Ca 0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3fyo h ARG 43 Cb 0.31 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3fyo h ARG 43 CO -0.01 0.20 0.00 1.57 -1.51 0.00 0.00 179.97 180.22 3fyo h LYS 44 N 0.27 0.00 0.00 0.20 2.10 -1.30 -2.12 116.57 115.73 3fyo h LYS 44 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3fyo h LYS 44 Cb -0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 3fyo h LYS 44 CO -0.02 0.00 -0.75 1.28 -2.00 0.00 0.00 179.45 177.96 3fyo n LEU 45 N -2.93 0.62 -0.57 7.07 4.77 -0.87 -4.98 117.00 120.11 3fyo n LEU 45 Ca 0.03 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3fyo n LEU 45 Cb 0.41 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3fyo n LEU 45 CO 0.30 0.07 0.01 0.61 -1.33 0.00 0.00 177.39 177.05 3fyo n GLY 46 N 1.42 0.74 3.39 -0.72 0.00 0.04 -5.05 105.19 105.01 3fyo n GLY 46 Ca 0.04 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 3fyo n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fyo s ILE 47 N -2.81 3.41 0.60 -0.61 1.01 -0.03 -5.03 121.20 117.74 3fyo s ILE 47 Ca 0.03 -0.51 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 3fyo s ILE 47 Cb -0.01 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3fyo s ILE 47 CO 0.03 0.48 1.24 -2.84 0.00 0.00 0.00 174.94 173.85 3fyo s PRO 48 N 0.74 2.93 -0.09 2.79 0.02 -1.26 -4.56 135.00 135.57 3fyo s PRO 48 Ca -0.03 1.90 -0.05 0.00 0.02 0.00 0.00 61.00 62.84 3fyo s PRO 48 Cb -0.15 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.46 3fyo s PRO 48 CO 0.02 -1.26 0.22 -0.47 -0.33 0.00 0.00 177.00 175.17 3fyo s TYR 49 N -1.53 -0.27 -0.09 6.54 5.04 -1.26 -1.42 117.35 124.37 3fyo s TYR 49 Ca 0.78 0.66 0.02 0.00 -2.44 0.00 0.00 57.07 56.09 3fyo s TYR 49 Cb -0.33 0.03 0.01 0.00 0.35 0.00 0.00 41.96 42.03 3fyo s TYR 49 CO 0.35 -0.18 -0.16 0.42 -1.34 0.00 0.00 175.55 174.64 3fyo s ILE 50 N 0.89 1.48 0.03 3.14 1.01 -0.13 -4.43 121.20 123.20 3fyo s ILE 50 Ca -0.06 -0.66 -0.26 0.00 0.00 0.00 0.00 60.65 59.66 3fyo s ILE 50 Cb -0.08 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 3fyo s ILE 50 CO -0.05 0.43 0.81 0.12 0.00 0.00 0.00 174.94 176.25 3fyo s PHE 51 N 0.72 3.71 -0.07 3.97 5.36 -0.67 -1.97 117.98 129.03 3fyo s PHE 51 Ca -0.12 1.51 0.04 0.00 -0.96 0.00 0.00 56.93 57.40 3fyo s PHE 51 Cb -0.16 -2.89 -0.02 0.00 -0.34 0.00 0.00 43.02 39.61 3fyo s PHE 51 CO 0.03 0.19 -0.19 0.21 -1.46 0.00 0.00 175.22 174.00 3fyo s LYS 52 N 0.25 2.67 -0.05 10.12 2.36 -0.54 -1.36 119.74 133.20 3fyo s LYS 52 Ca 0.41 -0.79 -0.29 0.00 -2.55 0.00 0.00 55.97 52.75 3fyo s LYS 52 Cb -0.20 -2.32 0.10 0.00 -1.05 0.00 0.00 37.83 34.35 3fyo s LYS 52 CO 0.24 0.44 0.83 0.00 1.55 0.00 0.00 175.35 178.41 3fyo s ALA 53 N -0.28 -1.82 -0.05 3.13 0.00 -1.10 -0.98 121.76 120.66 3fyo s ALA 53 Ca 0.01 1.22 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 3fyo s ALA 53 Cb -0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3fyo s ALA 53 CO 0.03 -0.49 0.16 -1.12 0.00 0.00 0.00 175.76 174.34 3fyo s SER 54 N -1.72 6.30 0.28 0.00 0.01 -1.04 -4.34 113.70 113.20 3fyo s SER 54 Ca -0.02 0.37 0.23 0.00 1.31 0.00 0.00 55.95 57.84 3fyo s SER 54 Cb -0.01 -1.99 0.26 0.00 0.21 0.00 0.00 66.02 64.50 3fyo s SER 54 CO -0.01 0.32 1.38 2.19 0.41 0.00 0.00 173.24 177.52 3fyo h PHE 55 N 4.26 0.00 -4.13 2.43 -5.15 -1.89 0.17 116.94 112.64 3fyo h PHE 55 Ca -0.51 0.00 -0.45 0.00 -0.20 0.00 0.00 57.97 56.81 3fyo h PHE 55 Cb 1.20 0.00 -0.28 0.00 0.22 0.00 0.00 35.95 37.09 3fyo h PHE 55 CO 0.70 0.00 -0.80 -0.51 -2.00 0.00 0.00 178.31 175.70 3fyo s ASP 56 N -5.44 1.48 -0.60 -0.68 1.01 -1.26 -1.87 116.67 109.30 3fyo s ASP 56 Ca 0.04 -0.26 -0.16 0.00 0.71 0.00 0.00 52.55 52.88 3fyo s ASP 56 Cb 0.09 -0.15 0.15 0.00 1.01 0.00 0.00 42.92 44.01 3fyo s ASP 56 CO 0.71 0.13 0.56 -0.75 0.21 0.00 0.00 175.17 176.03 3fyo s LYS 57 N -0.44 3.12 0.06 8.23 2.36 0.11 -4.96 119.74 128.22 3fyo s LYS 57 Ca 0.04 -1.87 -0.16 0.00 -2.55 0.00 0.00 55.97 51.43 3fyo s LYS 57 Cb -0.05 -4.33 -0.16 0.00 -1.05 0.00 0.00 37.83 32.24 3fyo s LYS 57 CO -0.00 -1.32 1.27 0.00 1.55 0.00 0.00 175.35 176.85 3fyo h ALA 58 N 8.66 0.25 -2.23 3.13 0.00 -1.99 -3.39 119.26 123.69 3fyo h ALA 58 Ca -0.21 -0.51 -0.73 0.00 0.00 0.00 0.00 54.91 53.45 3fyo h ALA 58 Cb 1.09 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.63 3fyo h ALA 58 CO 0.98 0.44 -0.25 1.21 0.00 0.00 0.00 179.25 181.63 3fyo s ASN 59 N -6.73 6.17 -0.03 0.00 3.84 -1.26 -5.07 114.94 111.85 3fyo s ASN 59 Ca -0.12 -1.36 -0.02 0.00 0.21 0.00 0.00 52.86 51.57 3fyo s ASN 59 Cb 0.07 -2.20 -0.04 0.00 -0.55 0.00 0.00 41.25 38.52 3fyo s ASN 59 CO 0.84 -0.73 0.10 -0.13 -2.79 0.00 0.00 177.10 174.40 3fyo s ARG 60 N 1.79 3.19 0.04 0.43 0.52 -1.26 -5.03 118.95 118.63 3fyo s ARG 60 Ca 0.05 -0.39 -0.11 0.00 -0.52 0.00 0.00 55.73 54.76 3fyo s ARG 60 Cb -0.25 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 3fyo s ARG 60 CO 0.07 0.68 1.18 0.66 0.02 0.00 0.00 175.30 177.91 3fyo h SER 61 N 4.27 -0.59 -1.64 0.23 4.64 -1.97 -3.43 113.55 115.06 3fyo h SER 61 Ca -0.50 0.07 -0.44 0.00 -0.47 0.00 0.00 61.79 60.45 3fyo h SER 61 Cb 1.19 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3fyo h SER 61 CO 0.62 -0.16 -0.33 -0.55 -0.87 0.00 0.00 176.83 175.55 3fyo s SER 62 N -3.36 5.70 0.00 4.97 0.15 -1.26 -4.97 113.70 114.92 3fyo s SER 62 Ca -0.05 -0.36 0.20 0.00 0.70 0.00 0.00 55.95 56.44 3fyo s SER 62 Cb 0.02 -0.93 1.05 0.00 -1.71 0.00 0.00 66.02 64.45 3fyo s SER 62 CO 0.20 -0.57 1.59 2.30 1.20 0.00 0.00 173.24 177.97 3fyo n ILE 63 N -1.68 0.28 0.18 6.45 -5.35 -1.26 -3.44 119.36 114.53 3fyo n ILE 63 Ca 0.03 0.07 0.02 0.00 -0.27 0.00 0.00 62.75 62.60 3fyo n ILE 63 Cb 0.59 -0.75 -0.01 0.00 -1.74 0.00 0.00 39.64 37.73 3fyo n ILE 63 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3fyo n HIS 64 N -1.19 0.00 -1.30 4.28 8.25 -1.26 -5.06 115.22 118.93 3fyo n HIS 64 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 3fyo n HIS 64 Cb 0.12 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.35 3fyo n HIS 64 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fyo s SER 65 N -0.97 3.92 0.33 0.41 0.01 -1.22 -4.98 113.70 111.19 3fyo s SER 65 Ca 0.03 1.50 -0.28 0.00 1.31 0.00 0.00 55.95 58.51 3fyo s SER 65 Cb 0.03 -2.20 -0.13 0.00 0.21 0.00 0.00 66.02 63.94 3fyo s SER 65 CO 0.12 -2.36 1.25 0.00 0.41 0.00 0.00 173.24 172.65 3fyo n TYR 66 N -3.70 2.13 0.06 2.43 4.11 -1.26 -4.94 117.16 115.98 3fyo n TYR 66 Ca 0.07 0.58 0.03 0.00 -0.00 0.00 0.00 57.90 58.58 3fyo n TYR 66 Cb 0.55 -2.39 -0.04 0.00 -0.00 0.00 0.00 39.34 37.46 3fyo n TYR 66 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 3fyo n ARG 67 N 0.58 1.26 0.00 -3.48 1.85 -1.26 -4.91 116.66 110.70 3fyo n ARG 67 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 3fyo n ARG 67 Cb 0.35 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.70 3fyo n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fyo n GLY 68 N 1.93 1.62 0.00 2.89 0.00 -1.26 0.08 105.19 110.45 3fyo n GLY 68 Ca -0.01 -2.08 0.14 0.00 0.00 0.00 0.00 46.02 44.07 3fyo n GLY 68 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3fyo n VAL 69 N 0.62 0.04 -0.55 1.61 3.14 -1.09 -4.94 118.33 117.16 3fyo n VAL 69 Ca 0.00 0.01 0.07 0.00 -2.96 0.00 0.00 64.34 61.46 3fyo n VAL 69 Cb 0.00 -0.57 -0.02 0.00 -1.06 0.00 0.00 33.84 32.18 3fyo n VAL 69 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fyo n GLY 70 N 0.81 -1.76 0.21 7.55 0.00 -0.78 -3.99 105.19 107.23 3fyo n GLY 70 Ca 0.19 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3fyo n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fyo h LEU 71 N -0.51 0.70 -0.54 0.99 6.46 -1.94 0.54 115.31 121.01 3fyo h LEU 71 Ca -0.00 -0.41 -0.03 0.00 -0.12 0.00 0.00 57.88 57.32 3fyo h LEU 71 Cb 0.51 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 3fyo h LEU 71 CO 0.01 0.95 0.24 -0.33 -0.62 0.00 0.00 178.44 178.69 3fyo h GLU 72 N 0.44 0.79 0.00 1.25 5.08 -1.98 -2.11 114.58 118.05 3fyo h GLU 72 Ca 0.07 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3fyo h GLU 72 Cb 0.69 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3fyo h GLU 72 CO 0.05 0.67 -1.14 -0.85 -1.00 0.00 0.00 179.01 176.74 3fyo n GLU 73 N -4.55 0.16 -0.07 2.33 0.28 -1.18 -3.70 120.64 113.92 3fyo n GLU 73 Ca 0.02 -0.04 -0.11 0.00 -0.16 0.00 0.00 57.16 56.88 3fyo n GLU 73 Cb 0.14 -1.52 -0.04 0.00 1.43 0.00 0.00 31.44 31.45 3fyo n GLU 73 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3fyo h GLY 74 N 4.75 0.39 1.07 -1.84 0.00 0.28 -3.18 103.07 104.53 3fyo h GLY 74 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 3fyo h GLY 74 CO 0.00 0.24 -0.24 1.41 0.00 0.00 0.00 176.54 177.95 3fyo h LEU 75 N 0.17 0.93 -0.65 3.11 3.38 -1.47 -2.52 115.31 118.26 3fyo h LEU 75 Ca 0.07 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.76 3fyo h LEU 75 Cb 0.31 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 40.68 3fyo h LEU 75 CO 0.00 1.14 -0.03 0.11 0.09 0.00 0.00 178.44 179.76 3fyo h LYS 76 N 0.72 0.09 -0.63 1.13 1.57 -1.64 -0.33 116.57 117.48 3fyo h LYS 76 Ca 0.09 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3fyo h LYS 76 Cb 0.81 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 3fyo h LYS 76 CO 0.07 0.06 0.12 0.82 -0.57 0.00 0.00 179.45 179.94 3fyo h ILE 77 N 0.09 1.25 -0.79 1.86 2.04 -1.44 -2.41 117.51 118.11 3fyo h ILE 77 Ca 0.34 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3fyo h ILE 77 Cb 0.56 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3fyo h ILE 77 CO -0.59 0.36 0.41 -0.26 0.00 0.00 0.00 178.15 178.08 3fyo h PHE 78 N 0.96 1.12 -0.91 1.37 0.05 -0.81 -1.73 116.94 116.99 3fyo h PHE 78 Ca 0.20 -0.04 0.01 0.00 3.82 0.00 0.00 57.97 61.95 3fyo h PHE 78 Cb 0.39 -0.35 -0.05 0.00 2.00 0.00 0.00 35.95 37.95 3fyo h PHE 78 CO 0.03 0.80 0.59 0.93 -0.18 0.00 0.00 178.31 180.48 3fyo h GLU 79 N 1.11 1.21 -0.21 1.51 5.08 -0.74 -1.82 114.58 120.71 3fyo h GLU 79 Ca 0.28 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3fyo h GLU 79 Cb 0.08 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3fyo h GLU 79 CO -0.04 0.81 0.01 0.87 -1.00 0.00 0.00 179.01 179.66 3fyo h LYS 80 N 1.24 0.37 -0.60 2.33 1.57 -1.13 -1.50 116.57 118.86 3fyo h LYS 80 Ca 0.33 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 59.06 3fyo h LYS 80 Cb -0.13 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 3fyo h LYS 80 CO -0.07 0.56 0.29 0.28 -0.57 0.00 0.00 179.45 179.94 3fyo h VAL 81 N 0.14 0.90 -0.43 0.50 2.07 -0.84 0.38 116.25 118.98 3fyo h VAL 81 Ca 0.06 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 3fyo h VAL 81 Cb 0.38 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3fyo h VAL 81 CO 0.01 0.10 -0.06 0.11 0.02 0.00 0.00 177.57 177.75 3fyo h LYS 82 N 0.54 0.80 0.26 1.57 1.57 -1.23 -0.44 116.57 119.63 3fyo h LYS 82 Ca 0.28 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3fyo h LYS 82 Cb 0.23 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3fyo h LYS 82 CO -0.21 0.90 -0.12 0.00 -0.57 0.00 0.00 179.45 179.44 3fyo h ALA 83 N 0.87 -0.34 -0.03 3.86 0.00 -0.25 0.47 119.26 123.84 3fyo h ALA 83 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fyo h ALA 83 Cb 0.58 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fyo h ALA 83 CO 0.03 -0.66 0.02 1.49 0.00 0.00 0.00 179.25 180.14 3fyo h GLU 84 N -0.42 0.04 0.00 0.00 4.81 -0.08 -3.33 114.58 115.60 3fyo h GLU 84 Ca -0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3fyo h GLU 84 Cb 0.32 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3fyo h GLU 84 CO 0.06 0.09 -1.74 1.19 -0.73 0.00 0.00 179.01 177.88 3fyo n PHE 85 N -5.03 0.00 -3.40 0.92 3.01 -0.19 -5.01 117.46 107.76 3fyo n PHE 85 Ca -0.07 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.20 3fyo n PHE 85 Cb 0.06 -0.38 0.07 0.00 -0.01 0.00 0.00 39.48 39.23 3fyo n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fyo n GLY 86 N 1.50 -0.32 3.62 1.37 0.00 0.17 -5.03 105.19 106.49 3fyo n GLY 86 Ca -0.03 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3fyo n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fyo s ILE 87 N -3.29 2.49 0.63 -0.61 -4.36 -1.26 -5.08 121.20 109.73 3fyo s ILE 87 Ca 0.37 -2.01 -0.11 0.00 -0.26 0.00 0.00 60.65 58.64 3fyo s ILE 87 Cb -0.16 -2.78 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 3fyo s ILE 87 CO 0.63 -0.18 1.03 -2.84 0.24 0.00 0.00 174.94 173.82 3fyo s PRO 88 N -3.70 3.46 0.15 0.37 0.02 -1.26 -4.59 135.00 129.45 3fyo s PRO 88 Ca 0.35 0.67 0.02 0.00 0.02 0.00 0.00 61.00 62.06 3fyo s PRO 88 Cb 0.01 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3fyo s PRO 88 CO 0.19 -0.64 -0.02 0.14 -0.33 0.00 0.00 177.00 176.34 3fyo s VAL 89 N -3.19 0.69 -0.04 3.83 -7.23 -1.26 -1.67 120.40 111.52 3fyo s VAL 89 Ca 0.55 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 3fyo s VAL 89 Cb -0.11 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.86 3fyo s VAL 89 CO 0.53 -0.59 0.09 -0.51 -0.31 0.00 0.00 175.10 174.31 3fyo s ILE 90 N -3.64 -0.03 0.08 -0.62 2.07 -0.46 -1.57 121.20 117.02 3fyo s ILE 90 Ca 0.20 0.12 -0.07 0.00 -1.41 0.00 0.00 60.65 59.50 3fyo s ILE 90 Cb 0.06 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.49 3fyo s ILE 90 CO 0.01 0.05 0.14 0.28 -1.91 0.00 0.00 174.94 173.51 3fyo s THR 91 N 0.71 0.16 0.15 4.00 -1.32 -0.80 -2.69 115.64 115.84 3fyo s THR 91 Ca -0.06 -1.33 -0.10 0.00 -1.21 0.00 0.00 61.69 58.99 3fyo s THR 91 Cb -0.08 -1.39 -0.07 0.00 -1.51 0.00 0.00 72.50 69.46 3fyo s THR 91 CO -0.03 -0.73 0.49 1.51 -2.21 0.00 0.00 174.62 173.65 3fyo s ASP 92 N -2.88 6.67 0.12 8.08 -4.77 -1.26 -0.42 116.67 122.22 3fyo s ASP 92 Ca 0.06 0.89 0.09 0.00 -3.30 0.00 0.00 52.55 50.29 3fyo s ASP 92 Cb 0.06 -2.22 -0.04 0.00 -1.09 0.00 0.00 42.92 39.63 3fyo s ASP 92 CO -0.11 0.06 -0.21 0.68 0.70 0.00 0.00 175.17 176.29 3fyo s VAL 93 N -1.58 1.83 0.00 2.11 -7.23 -0.85 -4.83 120.40 109.86 3fyo s VAL 93 Ca 0.40 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 3fyo s VAL 93 Cb -0.13 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.12 3fyo s VAL 93 CO 0.20 -0.08 0.00 1.41 -0.31 0.00 0.00 175.10 176.32 3fyo n HIS 94 N 0.91 0.00 -4.98 2.82 8.25 -1.26 -4.41 115.22 116.55 3fyo n HIS 94 Ca -0.18 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.00 3fyo n HIS 94 Cb 0.54 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.49 3fyo n HIS 94 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fyo s GLU 95 N -1.56 1.95 0.32 -0.41 8.01 -1.26 -5.02 118.70 120.73 3fyo s GLU 95 Ca 0.00 -0.71 0.05 0.00 0.01 0.00 0.00 54.97 54.32 3fyo s GLU 95 Cb 0.00 -1.72 0.70 0.00 -4.31 0.00 0.00 34.13 28.80 3fyo s GLU 95 CO 0.00 0.32 1.84 -1.35 0.01 0.00 0.00 175.26 176.08 3fyo h PRO 96 N 6.07 0.80 -0.20 0.39 0.11 -1.92 -1.63 132.00 135.63 3fyo h PRO 96 Ca -0.34 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 3fyo h PRO 96 Cb 1.17 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3fyo h PRO 96 CO 0.48 0.53 -0.08 1.12 -0.21 0.00 0.00 178.00 179.84 3fyo h HIS 97 N 0.83 0.33 0.00 0.65 2.07 -1.96 -2.53 115.15 114.53 3fyo h HIS 97 Ca 0.50 -0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.98 3fyo h HIS 97 Cb 0.68 -0.09 -0.00 0.00 2.57 0.00 0.00 27.41 30.56 3fyo h HIS 97 CO -0.00 0.40 -0.01 1.96 -3.07 0.00 0.00 177.93 177.20 3fyo h GLN 98 N 0.30 0.00 -0.24 5.12 4.20 -1.72 -3.36 115.11 119.42 3fyo h GLN 98 Ca 0.06 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3fyo h GLN 98 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3fyo h GLN 98 CO 0.02 0.01 0.02 0.00 -0.67 0.00 0.00 178.83 178.21 3fyo h GLN 100 N 0.19 0.50 -0.17 0.00 5.75 -1.79 -1.99 115.11 117.59 3fyo h GLN 100 Ca 0.07 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.23 3fyo h GLN 100 Cb 0.37 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 3fyo h GLN 100 CO 0.01 0.91 -0.03 -1.00 -2.65 0.00 0.00 178.83 176.07 3fyo h PRO 101 N 0.13 0.25 -0.02 -2.39 0.13 -1.80 -2.39 132.00 125.91 3fyo h PRO 101 Ca 0.01 -0.04 -0.23 0.00 -0.87 0.00 0.00 66.00 64.87 3fyo h PRO 101 Cb 0.88 -0.04 0.02 0.00 0.13 0.00 0.00 31.00 31.99 3fyo h PRO 101 CO 0.07 0.30 -0.90 0.28 -0.23 0.00 0.00 178.00 177.52 3fyo h VAL 102 N 0.25 1.31 0.00 1.56 2.07 -1.44 -3.12 116.25 116.89 3fyo h VAL 102 Ca 0.06 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.41 3fyo h VAL 102 Cb 0.22 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3fyo h VAL 102 CO 0.01 0.66 0.00 0.00 0.02 0.00 0.00 177.57 178.26 3fyo h ALA 103 N 0.40 1.00 -0.89 1.67 0.00 -1.24 0.12 119.26 120.33 3fyo h ALA 103 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fyo h ALA 103 Cb 1.57 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 3fyo h ALA 103 CO 0.18 0.00 0.55 0.93 0.00 0.00 0.00 179.25 180.91 3fyo h GLU 104 N 0.00 1.20 0.00 0.00 4.39 -1.36 -3.35 114.58 115.46 3fyo h GLU 104 Ca 0.00 -0.10 -0.24 0.00 0.34 0.00 0.00 59.36 59.36 3fyo h GLU 104 Cb 0.16 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 3fyo h GLU 104 CO 0.00 0.82 -1.92 0.28 -1.16 0.00 0.00 179.01 177.03 3fyo n VAL 105 N -4.37 0.92 -3.49 3.13 0.31 -0.40 -4.99 118.33 109.44 3fyo n VAL 105 Ca 0.10 -0.36 -0.37 0.00 -0.01 0.00 0.00 64.34 63.69 3fyo n VAL 105 Cb 0.05 -1.05 -0.08 0.00 -0.91 0.00 0.00 33.84 31.85 3fyo n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fyo h ASP 107 N 7.23 0.15 -3.47 0.00 5.19 -1.78 -3.42 116.42 120.33 3fyo h ASP 107 Ca -0.38 -0.14 -0.66 0.00 -0.62 0.00 0.00 57.03 55.23 3fyo h ASP 107 Cb 1.16 -0.04 -0.24 0.00 0.18 0.00 0.00 39.33 40.39 3fyo h ASP 107 CO 0.71 0.25 -0.74 -0.69 -3.12 0.00 0.00 179.24 175.66 3fyo s VAL 108 N -5.62 3.32 -0.04 -1.35 1.01 -0.61 -3.86 120.40 113.24 3fyo s VAL 108 Ca -0.14 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3fyo s VAL 108 Cb 0.06 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3fyo s VAL 108 CO 0.69 0.54 -0.07 0.27 0.00 0.00 0.00 175.10 176.52 3fyo s ILE 109 N 0.04 3.63 -0.13 2.22 -4.36 -0.75 -1.91 121.20 119.94 3fyo s ILE 109 Ca -0.03 -0.59 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 3fyo s ILE 109 Cb -0.14 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 3fyo s ILE 109 CO 0.04 0.54 -0.14 -1.58 0.24 0.00 0.00 174.94 174.03 3fyo s GLN 110 N -0.99 3.34 -0.43 0.37 0.74 0.44 -1.61 119.66 121.53 3fyo s GLN 110 Ca 0.14 -0.71 -0.25 0.00 0.05 0.00 0.00 55.36 54.59 3fyo s GLN 110 Cb -0.11 -2.60 0.02 0.00 1.10 0.00 0.00 33.01 31.42 3fyo s GLN 110 CO 0.03 0.20 0.90 -1.17 -0.55 0.00 0.00 175.29 174.70 3fyo s LEU 111 N 0.38 4.04 0.72 3.68 2.96 -0.30 -2.00 118.68 128.16 3fyo s LEU 111 Ca -0.11 0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 53.89 3fyo s LEU 111 Cb -0.16 -3.17 0.04 0.00 0.50 0.00 0.00 46.19 43.39 3fyo s LEU 111 CO 0.06 -0.95 1.19 -2.84 -1.32 0.00 0.00 176.35 172.49 3fyo s PRO 112 N 3.57 2.20 0.33 0.98 0.02 -1.26 -2.76 135.00 138.09 3fyo s PRO 112 Ca 0.36 1.70 0.04 0.00 0.02 0.00 0.00 61.00 63.12 3fyo s PRO 112 Cb -0.11 -1.85 0.57 0.00 0.02 0.00 0.00 34.50 33.14 3fyo s PRO 112 CO 0.23 -1.77 1.86 0.00 -0.33 0.00 0.00 177.00 176.99 3fyo h ALA 113 N -0.28 1.34 -0.00 -1.55 0.00 -1.92 -1.71 119.26 115.14 3fyo h ALA 113 Ca -0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3fyo h ALA 113 Cb 1.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3fyo h ALA 113 CO 0.50 0.45 -0.02 1.97 0.00 0.00 0.00 179.25 182.16 3fyo n PHE 114 N -4.27 0.00 -0.10 0.00 1.16 -1.26 -3.18 117.46 109.80 3fyo n PHE 114 Ca 0.02 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.61 3fyo n PHE 114 Cb 0.25 -0.15 0.02 0.00 -1.61 0.00 0.00 39.48 37.99 3fyo n PHE 114 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3fyo n LEU 115 N -1.07 2.09 0.27 5.98 4.77 -0.66 -4.79 117.00 123.60 3fyo n LEU 115 Ca 0.18 -2.09 0.17 0.00 -0.03 0.00 0.00 56.01 54.23 3fyo n LEU 115 Cb 0.20 -0.05 0.66 0.00 -2.33 0.00 0.00 43.42 41.90 3fyo n LEU 115 CO 0.21 0.53 0.98 0.00 -1.33 0.00 0.00 177.39 177.78 3fyo h ALA 116 N 0.13 1.00 -0.20 -1.18 0.00 -1.48 -1.83 119.26 115.69 3fyo h ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fyo h ALA 116 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fyo h ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3fyo n ARG 117 N -3.04 2.32 -2.49 0.00 1.74 -1.26 -4.87 116.66 109.05 3fyo n ARG 117 Ca 0.01 -2.06 -0.41 0.00 -0.77 0.00 0.00 57.85 54.62 3fyo n ARG 117 Cb 0.31 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3fyo n ARG 117 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3fyo s GLN 118 N -1.67 3.13 0.35 5.56 0.74 -0.69 -4.86 119.66 122.21 3fyo s GLN 118 Ca 0.32 -0.16 0.03 0.00 0.05 0.00 0.00 55.36 55.60 3fyo s GLN 118 Cb 0.21 -4.22 0.63 0.00 1.10 0.00 0.00 33.01 30.72 3fyo s GLN 118 CO 0.30 -2.22 1.97 1.15 -0.55 0.00 0.00 175.29 175.94 3fyo h THR 119 N 6.14 1.17 -0.31 -0.34 2.02 -1.89 -2.01 112.91 117.68 3fyo h THR 119 Ca -0.27 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.55 3fyo h THR 119 Cb 1.06 0.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 3fyo h THR 119 CO 1.28 0.19 -0.06 0.44 0.37 0.00 0.00 175.52 177.73 3fyo h ASP 120 N 0.76 -0.26 0.36 4.18 3.32 -1.98 -1.51 116.42 121.29 3fyo h ASP 120 Ca 0.20 0.09 -0.18 0.00 0.02 0.00 0.00 57.03 57.16 3fyo h ASP 120 Cb 0.02 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3fyo h ASP 120 CO -0.03 -0.09 -0.73 0.25 -1.72 0.00 0.00 179.24 176.92 3fyo h LEU 121 N 0.02 0.37 0.08 1.55 5.85 -1.76 -2.55 115.31 118.86 3fyo h LEU 121 Ca 0.15 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3fyo h LEU 121 Cb 0.23 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3fyo h LEU 121 CO -0.31 0.98 -0.08 0.58 -0.34 0.00 0.00 178.44 179.27 3fyo h VAL 122 N 0.21 0.82 -0.80 1.05 2.07 -1.23 -0.70 116.25 117.67 3fyo h VAL 122 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3fyo h VAL 122 Cb 1.30 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3fyo h VAL 122 CO 0.12 0.00 0.43 0.58 0.02 0.00 0.00 177.57 178.72 3fyo h VAL 123 N -0.18 1.24 -0.23 2.57 2.07 -1.22 -1.29 116.25 119.22 3fyo h VAL 123 Ca 0.01 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.73 3fyo h VAL 123 Cb 0.17 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3fyo h VAL 123 CO -0.03 0.27 -0.56 0.00 0.02 0.00 0.00 177.57 177.28 3fyo h ALA 124 N 1.22 0.59 -0.27 1.67 0.00 -1.28 -1.50 119.26 119.70 3fyo h ALA 124 Ca 0.28 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3fyo h ALA 124 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fyo h ALA 124 CO -0.04 0.69 0.08 0.52 0.00 0.00 0.00 179.25 180.50 3fyo h MET 125 N 0.53 0.42 -0.97 0.00 2.86 -1.02 -3.05 114.93 113.70 3fyo h MET 125 Ca 0.01 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3fyo h MET 125 Cb 1.13 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.67 3fyo h MET 125 CO 0.11 0.49 0.64 0.00 1.06 0.00 0.00 176.91 179.21 3fyo h ALA 126 N 0.91 1.39 0.00 6.32 0.00 -0.85 -2.23 119.26 124.80 3fyo h ALA 126 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fyo h ALA 126 Cb 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fyo h ALA 126 CO -0.00 0.50 0.00 0.36 0.00 0.00 0.00 179.25 180.11 3fyo n LYS 127 N -4.46 0.14 0.22 0.00 2.85 -0.60 -0.99 118.16 115.33 3fyo n LYS 127 Ca 0.14 0.34 0.10 0.00 -1.05 0.00 0.00 58.31 57.84 3fyo n LYS 127 Cb 0.12 -1.75 0.47 0.00 -0.65 0.00 0.00 35.03 33.22 3fyo n LYS 127 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 3fyo h THR 128 N 0.00 0.58 0.00 0.58 1.35 -1.42 -3.47 112.91 110.54 3fyo h THR 128 Ca 0.00 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3fyo h THR 128 Cb 0.36 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3fyo h THR 128 CO 0.00 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 3fyo n GLY 129 N 0.08 0.57 3.76 5.82 0.00 -0.16 -5.00 105.19 110.27 3fyo n GLY 129 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3fyo n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fyo s ASN 130 N -2.55 4.36 0.23 1.61 -0.87 -1.26 -4.97 114.94 111.49 3fyo s ASN 130 Ca 0.00 1.68 -0.31 0.00 -1.57 0.00 0.00 52.86 52.67 3fyo s ASN 130 Cb 0.00 -2.40 -0.11 0.00 -0.02 0.00 0.00 41.25 38.72 3fyo s ASN 130 CO 0.00 -2.10 1.56 -0.69 -2.57 0.00 0.00 177.10 173.29 3fyo s VAL 131 N -2.94 2.42 -0.09 1.60 1.01 -1.25 -4.80 120.40 116.34 3fyo s VAL 131 Ca 0.61 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.96 3fyo s VAL 131 Cb -0.17 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 3fyo s VAL 131 CO 0.56 0.04 -0.24 -0.69 0.00 0.00 0.00 175.10 174.77 3fyo s VAL 132 N 0.54 2.05 -0.35 2.92 1.01 -0.41 -1.82 120.40 124.35 3fyo s VAL 132 Ca 0.66 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 3fyo s VAL 132 Cb -0.45 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 3fyo s VAL 132 CO 0.39 0.56 0.24 0.21 0.00 0.00 0.00 175.10 176.50 3fyo s ASN 133 N 0.23 6.01 -0.41 3.32 2.47 -0.64 0.11 114.94 126.03 3fyo s ASN 133 Ca -0.16 -0.52 -0.20 0.00 0.42 0.00 0.00 52.86 52.41 3fyo s ASN 133 Cb -0.17 -2.13 0.02 0.00 -1.45 0.00 0.00 41.25 37.52 3fyo s ASN 133 CO 0.08 -0.27 0.59 -0.63 -3.72 0.00 0.00 177.10 173.15 3fyo s ILE 134 N 1.70 4.91 -0.16 -5.21 1.01 0.27 -1.15 121.20 122.57 3fyo s ILE 134 Ca 0.06 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 3fyo s ILE 134 Cb -0.18 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.16 3fyo s ILE 134 CO 0.10 -0.47 1.08 -0.54 0.00 0.00 0.00 174.94 175.10 3fyo s LYS 135 N 2.63 4.32 -0.08 2.79 -0.14 -1.11 -0.77 119.74 127.37 3fyo s LYS 135 Ca 0.20 1.44 -0.30 0.00 -1.36 0.00 0.00 55.97 55.96 3fyo s LYS 135 Cb -0.15 -3.62 -0.04 0.00 -1.68 0.00 0.00 37.83 32.34 3fyo s LYS 135 CO 0.17 -0.53 1.48 0.21 -0.76 0.00 0.00 175.35 175.92 3fyo s LYS 136 N 2.77 4.21 0.35 1.68 2.20 -0.29 -4.30 119.74 126.38 3fyo s LYS 136 Ca 0.48 1.97 -0.27 0.00 -0.36 0.00 0.00 55.97 57.80 3fyo s LYS 136 Cb -0.18 -3.84 -0.12 0.00 -1.51 0.00 0.00 37.83 32.18 3fyo s LYS 136 CO 0.12 -0.76 1.09 -2.30 -0.36 0.00 0.00 175.35 173.15 3fyo n PRO 137 N 6.67 1.57 0.19 4.03 -0.02 -1.26 -4.49 135.00 141.68 3fyo n PRO 137 Ca 0.15 0.55 0.14 0.00 -2.02 0.00 0.00 63.50 62.33 3fyo n PRO 137 Cb 0.44 -2.05 0.59 0.00 -0.02 0.00 0.00 33.50 32.45 3fyo n PRO 137 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3fyo h GLN 138 N 1.98 0.00 0.00 -0.52 3.07 -1.90 -1.33 115.11 116.40 3fyo h GLN 138 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 3fyo h GLN 138 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 3fyo h GLN 138 CO 0.60 0.00 -0.71 1.97 0.09 0.00 0.00 178.83 180.78 3fyo n PHE 139 N -2.53 0.12 -3.41 0.06 1.16 -1.26 -1.09 117.46 110.50 3fyo n PHE 139 Ca 0.01 0.04 -0.38 0.00 -1.87 0.00 0.00 57.45 55.25 3fyo n PHE 139 Cb 0.23 -0.30 -0.06 0.00 -1.61 0.00 0.00 39.48 37.74 3fyo n PHE 139 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3fyo s LEU 140 N -3.35 4.31 0.52 5.98 2.96 -0.51 -5.00 118.68 123.59 3fyo s LEU 140 Ca 0.08 0.77 -0.21 0.00 -0.22 0.00 0.00 54.13 54.55 3fyo s LEU 140 Cb 0.16 -2.59 -0.06 0.00 0.50 0.00 0.00 46.19 44.20 3fyo s LEU 140 CO 0.75 0.09 1.17 -0.94 -1.32 0.00 0.00 176.35 176.10 3fyo s SER 141 N 0.23 5.78 0.45 3.68 1.04 -1.26 -4.82 113.70 118.81 3fyo s SER 141 Ca 0.23 2.29 0.14 0.00 0.48 0.00 0.00 55.95 59.08 3fyo s SER 141 Cb -0.15 -2.59 1.07 0.00 0.10 0.00 0.00 66.02 64.44 3fyo s SER 141 CO 0.09 -1.18 2.03 1.55 0.98 0.00 0.00 173.24 176.71 3fyo h PRO 142 N 1.48 0.32 0.00 4.02 0.13 -1.97 -1.29 132.00 134.69 3fyo h PRO 142 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3fyo h PRO 142 Cb 1.26 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3fyo h PRO 142 CO 0.58 0.21 0.00 -1.13 -0.23 0.00 0.00 178.00 177.43 3fyo n SER 143 N -4.47 0.00 0.02 1.44 3.41 -1.26 -2.51 113.62 110.25 3fyo n SER 143 Ca 0.06 -0.31 0.12 0.00 -0.26 0.00 0.00 58.87 58.47 3fyo n SER 143 Cb 0.26 -0.19 0.15 0.00 -0.26 0.00 0.00 64.21 64.16 3fyo n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fyo n GLN 144 N -1.19 0.16 0.26 4.33 1.13 -0.49 -3.83 117.38 117.75 3fyo n GLN 144 Ca 0.14 0.02 0.12 0.00 -1.94 0.00 0.00 57.00 55.35 3fyo n GLN 144 Cb 0.16 -1.58 0.77 0.00 0.11 0.00 0.00 30.24 29.71 3fyo n GLN 144 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 3fyo h MET 145 N 0.00 0.00 0.00 -1.09 2.86 -1.58 -2.15 114.93 112.97 3fyo h MET 145 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3fyo h MET 145 Cb 0.63 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 3fyo h MET 145 CO 0.00 0.00 -0.03 1.57 1.06 0.00 0.00 176.91 179.51 3fyo h LYS 146 N 0.00 0.00 0.03 1.72 2.10 -1.79 -1.43 116.57 117.19 3fyo h LYS 146 Ca 0.01 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.44 3fyo h LYS 146 Cb 0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 3fyo h LYS 146 CO -0.00 0.03 -0.97 -0.91 -2.00 0.00 0.00 179.45 175.60 3fyo h ASN 147 N 0.00 0.35 -0.27 7.07 2.35 -1.65 -0.83 115.58 122.60 3fyo h ASN 147 Ca -0.00 -0.30 -0.14 0.00 -0.55 0.00 0.00 56.30 55.31 3fyo h ASN 147 Cb 0.09 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3fyo h ASN 147 CO 0.00 1.14 -0.37 0.40 -1.65 0.00 0.00 177.43 176.95 3fyo h ILE 148 N 0.13 1.30 -0.68 2.81 2.04 -1.39 -2.90 117.51 118.82 3fyo h ILE 148 Ca -0.07 -1.56 0.03 0.00 1.00 0.00 0.00 64.86 64.26 3fyo h ILE 148 Cb 1.63 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 39.34 3fyo h ILE 148 CO 0.16 0.50 0.42 0.58 0.00 0.00 0.00 178.15 179.81 3fyo h VAL 149 N 0.46 1.09 -0.90 1.67 2.07 -1.22 -2.01 116.25 117.42 3fyo h VAL 149 Ca 0.03 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3fyo h VAL 149 Cb 0.96 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3fyo h VAL 149 CO 0.09 0.15 0.58 -0.08 0.02 0.00 0.00 177.57 178.33 3fyo h GLU 150 N 0.83 1.19 -0.32 1.57 4.22 -1.15 0.31 114.58 121.23 3fyo h GLU 150 Ca 0.27 -0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.55 3fyo h GLU 150 Cb 0.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 3fyo h GLU 150 CO -0.10 0.80 -0.10 0.87 -2.18 0.00 0.00 179.01 178.29 3fyo h LYS 151 N 1.22 0.64 -0.81 1.92 1.57 -1.21 0.21 116.57 120.11 3fyo h LYS 151 Ca 0.33 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3fyo h LYS 151 Cb -0.12 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3fyo h LYS 151 CO -0.07 0.83 0.49 0.74 -0.57 0.00 0.00 179.45 180.87 3fyo h PHE 152 N 0.41 1.07 -0.57 -1.35 -1.00 -0.90 -1.44 116.94 113.16 3fyo h PHE 152 Ca 0.08 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.76 3fyo h PHE 152 Cb 0.61 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 3fyo h PHE 152 CO 0.05 0.71 -0.02 0.45 -1.61 0.00 0.00 178.31 177.89 3fyo h HIS 153 N 1.11 1.12 0.00 -0.55 3.86 -0.54 -0.30 115.15 119.85 3fyo h HIS 153 Ca 0.29 -0.20 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 3fyo h HIS 153 Cb -0.04 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 3fyo h HIS 153 CO -0.00 1.01 -0.27 1.49 0.86 0.00 0.00 177.93 181.01 3fyo h GLU 154 N 0.91 0.00 -0.04 2.45 4.81 -0.36 -1.58 114.58 120.77 3fyo h GLU 154 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3fyo h GLU 154 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3fyo h GLU 154 CO 0.03 0.27 0.00 0.00 -0.73 0.00 0.00 179.01 178.59 3fyo n ALA 155 N -2.46 2.58 -0.23 2.92 0.00 -0.56 -4.94 120.51 117.82 3fyo n ALA 155 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3fyo n ALA 155 Cb 0.33 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3fyo n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fyo n GLY 156 N 1.15 0.86 2.91 0.00 0.00 -0.22 -4.59 105.19 105.29 3fyo n GLY 156 Ca 0.19 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3fyo n GLY 156 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fyo s ASN 157 N -2.18 2.61 0.00 1.61 3.84 -0.62 -4.97 114.94 115.24 3fyo s ASN 157 Ca 0.00 -0.53 0.16 0.00 0.21 0.00 0.00 52.86 52.69 3fyo s ASN 157 Cb 0.00 -0.92 0.40 0.00 -0.55 0.00 0.00 41.25 40.18 3fyo s ASN 157 CO 0.00 -0.15 1.32 0.61 -2.79 0.00 0.00 177.10 176.09 3fyo n GLY 158 N 4.89 2.31 2.81 1.21 0.00 -1.26 -3.56 105.19 111.57 3fyo n GLY 158 Ca -0.13 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3fyo n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fyo n LYS 159 N 0.96 4.13 -4.90 1.61 5.02 -1.26 -4.97 118.16 118.75 3fyo n LYS 159 Ca 0.16 -3.83 -0.33 0.00 -2.02 0.00 0.00 58.31 52.29 3fyo n LYS 159 Cb 0.49 -2.74 -0.14 0.00 -0.02 0.00 0.00 35.03 32.62 3fyo n LYS 159 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fyo s LEU 160 N -1.42 2.64 -0.11 -0.35 1.43 -1.26 -1.28 118.68 118.32 3fyo s LEU 160 Ca 0.40 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3fyo s LEU 160 Cb 0.11 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 3fyo s LEU 160 CO 0.00 0.27 -0.07 -0.63 0.23 0.00 0.00 176.35 176.15 3fyo s ILE 161 N -0.26 3.67 -0.18 -0.59 1.01 0.12 -4.22 121.20 120.75 3fyo s ILE 161 Ca 0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 3fyo s ILE 161 Cb -0.13 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 3fyo s ILE 161 CO 0.03 0.55 0.15 -0.76 0.00 0.00 0.00 174.94 174.90 3fyo s LEU 162 N -0.17 4.26 -0.22 2.97 1.43 -0.33 -0.56 118.68 126.06 3fyo s LEU 162 Ca 0.02 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3fyo s LEU 162 Cb -0.13 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 44.03 3fyo s LEU 162 CO 0.03 0.23 -0.07 0.00 0.23 0.00 0.00 176.35 176.77 3fyo s GLU 164 N 1.41 4.42 -0.00 0.00 2.56 -0.33 -1.14 118.70 125.63 3fyo s GLU 164 Ca -0.04 2.01 0.01 0.00 0.00 0.00 0.00 54.97 56.95 3fyo s GLU 164 Cb -0.18 -3.20 0.01 0.00 2.00 0.00 0.00 34.13 32.77 3fyo s GLU 164 CO -0.07 -0.18 1.00 2.89 -0.56 0.00 0.00 175.26 178.34 3fyo n ARG 165 N 2.38 0.04 0.00 4.30 -4.01 -1.26 -0.46 116.66 117.65 3fyo n ARG 165 Ca 0.05 -1.04 0.00 0.00 -1.04 0.00 0.00 57.85 55.81 3fyo n ARG 165 Cb 0.43 -0.53 0.00 0.00 -3.04 0.00 0.00 32.46 29.32 3fyo n ARG 165 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3fyo n GLY 166 N -0.05 1.14 3.29 2.89 0.00 -1.26 -3.91 105.19 107.29 3fyo n GLY 166 Ca 0.01 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.94 3fyo n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fyo s SER 167 N -0.84 2.64 0.26 1.61 0.01 0.34 -4.14 113.70 113.59 3fyo s SER 167 Ca 0.00 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 3fyo s SER 167 Cb 0.00 -0.18 -0.10 0.00 0.21 0.00 0.00 66.02 65.95 3fyo s SER 167 CO 0.00 0.12 1.43 -0.44 0.41 0.00 0.00 173.24 174.76 3fyo s SER 168 N -1.60 6.65 -0.37 2.44 0.01 -0.25 -1.05 113.70 119.53 3fyo s SER 168 Ca 0.08 2.68 0.01 0.00 1.31 0.00 0.00 55.95 60.03 3fyo s SER 168 Cb -0.10 -2.63 0.15 0.00 0.21 0.00 0.00 66.02 63.65 3fyo s SER 168 CO 0.03 -0.69 0.24 0.12 0.41 0.00 0.00 173.24 173.35 3fyo s PHE 169 N -0.14 0.83 0.00 2.43 5.36 -0.26 -4.82 117.98 121.38 3fyo s PHE 169 Ca 0.58 -1.80 0.00 0.00 -0.96 0.00 0.00 56.93 54.76 3fyo s PHE 169 Cb -0.42 -0.94 0.00 0.00 -0.34 0.00 0.00 43.02 41.32 3fyo s PHE 169 CO 0.45 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.79 3fyo n GLY 170 N 3.77 0.06 3.80 13.12 0.00 -1.26 -4.22 105.19 120.45 3fyo n GLY 170 Ca 0.16 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 3fyo n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fyo s TYR 171 N 0.00 3.80 -1.98 1.61 2.02 -1.26 -4.42 117.35 117.12 3fyo s TYR 171 Ca 0.00 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.14 3fyo s TYR 171 Cb 0.00 -2.63 0.00 0.00 -0.40 0.00 0.00 41.96 38.93 3fyo s TYR 171 CO 0.00 0.49 0.00 -0.25 -1.57 0.00 0.00 175.55 174.22 3fyo n ASP 172 N 1.36 -5.70 -3.92 2.29 8.00 -1.26 -4.94 116.55 112.38 3fyo n ASP 172 Ca -0.06 0.24 -0.09 0.00 0.71 0.00 0.00 54.79 55.59 3fyo n ASP 172 Cb 0.50 -4.87 -0.09 0.00 -0.02 0.00 0.00 41.12 36.64 3fyo n ASP 172 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3fyo s ASN 173 N -2.41 0.16 0.04 -2.24 2.47 -1.26 -5.08 114.94 106.62 3fyo s ASN 173 Ca 0.00 -0.53 0.05 0.00 0.42 0.00 0.00 52.86 52.81 3fyo s ASN 173 Cb 0.00 0.24 -0.02 0.00 -1.45 0.00 0.00 41.25 40.02 3fyo s ASN 173 CO 0.00 -0.53 -0.16 -0.76 -3.72 0.00 0.00 177.10 171.94 3fyo s LEU 174 N -2.17 2.17 0.00 3.21 1.43 -1.26 -1.11 118.68 120.95 3fyo s LEU 174 Ca -0.04 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 3fyo s LEU 174 Cb -0.01 -0.70 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 3fyo s LEU 174 CO -0.05 0.06 -0.15 0.54 0.23 0.00 0.00 176.35 176.99 3fyo s VAL 175 N -0.84 1.19 -0.29 -1.59 0.11 -0.22 -4.88 120.40 113.88 3fyo s VAL 175 Ca 0.03 -0.74 -0.13 0.00 -2.93 0.00 0.00 61.98 58.21 3fyo s VAL 175 Cb -0.08 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 3fyo s VAL 175 CO 0.01 0.26 0.26 -0.69 -3.33 0.00 0.00 175.10 171.61 3fyo s VAL 176 N -0.47 5.26 -0.54 2.04 1.01 -1.26 -0.50 120.40 125.93 3fyo s VAL 176 Ca 0.05 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 3fyo s VAL 176 Cb -0.06 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.72 3fyo s VAL 176 CO -0.00 0.15 1.07 -0.62 0.00 0.00 0.00 175.10 175.70 3fyo s ASP 177 N 1.73 6.44 0.46 3.32 -1.08 -1.26 -4.90 116.67 121.38 3fyo s ASP 177 Ca 0.09 0.01 0.31 0.00 -0.52 0.00 0.00 52.55 52.44 3fyo s ASP 177 Cb -0.16 -2.50 1.40 0.00 -1.46 0.00 0.00 42.92 40.20 3fyo s ASP 177 CO 0.11 -1.32 1.94 0.24 0.52 0.00 0.00 175.17 176.66 3fyo h MET 178 N 9.37 0.00 0.00 4.34 2.86 -1.99 -1.66 114.93 127.85 3fyo h MET 178 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3fyo h MET 178 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3fyo h MET 178 CO 1.13 0.00 0.00 -0.07 1.06 0.00 0.00 176.91 179.03 3fyo h LEU 179 N 0.00 0.00 -1.11 1.22 3.38 -2.02 -3.31 115.31 113.47 3fyo h LEU 179 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3fyo h LEU 179 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3fyo h LEU 179 CO 0.00 0.00 -0.44 1.23 0.09 0.00 0.00 178.44 179.32 3fyo h GLY 180 N 2.78 0.00 0.80 0.83 0.00 -1.71 -2.94 103.07 102.82 3fyo h GLY 180 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3fyo h GLY 180 CO 0.00 0.00 0.17 0.74 0.00 0.00 0.00 176.54 177.45 3fyo h PHE 181 N 0.00 0.32 -0.21 5.60 -1.00 -1.74 -1.01 116.94 118.90 3fyo h PHE 181 Ca -0.00 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.69 3fyo h PHE 181 Cb 0.80 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 3fyo h PHE 181 CO 0.00 0.16 -0.32 0.78 -1.61 0.00 0.00 178.31 177.32 3fyo h GLY 182 N 0.36 0.47 1.17 -1.45 0.00 -1.76 -1.92 103.07 99.93 3fyo h GLY 182 Ca 0.16 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 3fyo h GLY 182 CO -0.12 0.37 -0.11 -2.08 0.00 0.00 0.00 176.54 174.60 3fyo h VAL 183 N 0.37 1.27 -0.35 4.60 2.07 -1.28 -0.36 116.25 122.57 3fyo h VAL 183 Ca 0.05 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 3fyo h VAL 183 Cb 0.75 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3fyo h VAL 183 CO 0.06 0.44 -0.06 0.24 0.02 0.00 0.00 177.57 178.27 3fyo h MET 184 N 0.87 0.66 -0.33 1.57 2.86 -1.00 -1.44 114.93 118.12 3fyo h MET 184 Ca 0.14 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3fyo h MET 184 Cb 0.66 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3fyo h MET 184 CO 0.05 0.81 0.20 0.87 1.06 0.00 0.00 176.91 179.90 3fyo h LYS 185 N 0.46 0.40 -0.18 1.72 1.57 -1.16 -0.80 116.57 118.60 3fyo h LYS 185 Ca 0.09 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3fyo h LYS 185 Cb 0.55 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3fyo h LYS 185 CO 0.03 0.27 -0.41 0.37 -0.57 0.00 0.00 179.45 179.14 3fyo h GLN 186 N 0.42 0.40 0.00 3.15 4.15 -0.96 -0.74 115.11 121.53 3fyo h GLN 186 Ca 0.13 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3fyo h GLN 186 Cb -0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3fyo h GLN 186 CO -0.05 0.75 -1.11 0.25 -1.93 0.00 0.00 178.83 176.74 3fyo n THR 187 N -4.02 0.04 -1.18 2.39 -2.24 -0.55 -4.39 114.28 104.32 3fyo n THR 187 Ca -0.02 -0.13 0.09 0.00 -2.27 0.00 0.00 64.05 61.72 3fyo n THR 187 Cb 0.50 0.59 0.14 0.00 -2.10 0.00 0.00 70.33 69.45 3fyo n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyo n GLY 189 N -1.31 0.28 3.28 0.00 0.00 -1.20 -3.29 105.19 102.95 3fyo n GLY 189 Ca 0.15 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 3fyo n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fyo n ASN 190 N 1.10 -4.98 -4.64 1.61 5.15 -0.29 -3.87 115.26 109.34 3fyo n ASN 190 Ca -0.06 -0.39 -0.36 0.00 -0.60 0.00 0.00 54.58 53.18 3fyo n ASN 190 Cb 0.47 -4.05 0.09 0.00 -0.53 0.00 0.00 39.78 35.76 3fyo n ASN 190 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3fyo n LEU 191 N -4.01 3.93 -4.64 1.20 4.77 -1.21 -0.40 117.00 116.64 3fyo n LEU 191 Ca -0.05 0.69 -0.48 0.00 -0.03 0.00 0.00 56.01 56.14 3fyo n LEU 191 Cb 0.57 -1.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 3fyo n LEU 191 CO 0.52 -1.86 1.10 -2.65 -1.33 0.00 0.00 177.39 173.17 3fyo n PRO 192 N -1.95 1.84 -4.70 3.23 -0.02 -1.25 -4.83 135.00 127.32 3fyo n PRO 192 Ca 0.13 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.95 3fyo n PRO 192 Cb 0.49 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 3fyo n PRO 192 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fyo s VAL 193 N 0.75 3.05 0.29 -1.45 1.01 -1.26 -1.19 120.40 121.60 3fyo s VAL 193 Ca 0.80 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3fyo s VAL 193 Cb -0.76 -2.29 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 3fyo s VAL 193 CO 0.41 0.52 -0.13 0.27 0.00 0.00 0.00 175.10 176.17 3fyo s ILE 194 N 0.45 2.12 -0.21 2.22 -4.36 -0.08 -0.60 121.20 120.75 3fyo s ILE 194 Ca -0.09 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.05 3fyo s ILE 194 Cb -0.16 -2.42 0.05 0.00 1.25 0.00 0.00 42.46 41.19 3fyo s ILE 194 CO 0.05 -0.34 -0.08 0.12 0.24 0.00 0.00 174.94 174.93 3fyo s PHE 195 N -2.71 2.36 -1.04 1.37 5.36 -0.88 -1.18 117.98 121.26 3fyo s PHE 195 Ca 0.30 -1.62 -0.19 0.00 -0.96 0.00 0.00 56.93 54.45 3fyo s PHE 195 Cb -0.00 -1.59 0.11 0.00 -0.34 0.00 0.00 43.02 41.19 3fyo s PHE 195 CO 0.14 -0.75 1.34 0.34 -1.46 0.00 0.00 175.22 174.83 3fyo s ASP 196 N 1.41 6.68 0.33 6.13 -1.08 0.39 -0.54 116.67 129.99 3fyo s ASP 196 Ca -0.03 -2.05 0.10 0.00 -0.52 0.00 0.00 52.55 50.05 3fyo s ASP 196 Cb -0.17 -2.47 0.57 0.00 -1.46 0.00 0.00 42.92 39.38 3fyo s ASP 196 CO -0.07 -1.16 1.75 1.62 0.52 0.00 0.00 175.17 177.83 3fyo h VAL 197 N 5.92 1.30 -0.33 1.11 3.04 -1.75 -2.71 116.25 122.83 3fyo h VAL 197 Ca 0.23 -1.46 -0.04 0.00 -1.01 0.00 0.00 66.70 64.42 3fyo h VAL 197 Cb 0.98 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.97 3fyo h VAL 197 CO 1.26 0.43 0.06 0.74 -1.01 0.00 0.00 177.57 179.05 3fyo h THR 198 N 0.09 1.23 0.00 3.17 2.02 -1.89 -2.60 112.91 114.94 3fyo h THR 198 Ca 0.01 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.39 3fyo h THR 198 Cb 0.77 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3fyo h THR 198 CO 0.06 0.27 -0.18 0.45 0.37 0.00 0.00 175.52 176.49 3fyo h HIS 199 N 0.38 0.00 0.00 3.16 3.86 -1.89 -3.11 115.15 117.55 3fyo h HIS 199 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3fyo h HIS 199 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3fyo h HIS 199 CO 0.02 0.00 0.00 0.77 0.86 0.00 0.00 177.93 179.58 3fyo h SER 200 N 0.00 0.00 -3.26 2.45 0.02 -1.13 -3.42 113.55 108.21 3fyo h SER 200 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3fyo h SER 200 Cb 0.95 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 3fyo h SER 200 CO 0.00 0.00 -0.19 -0.76 -1.14 0.00 0.00 176.83 174.74 3fyo s LEU 201 N -5.87 4.27 -1.55 5.07 1.43 -1.08 -4.80 118.68 116.15 3fyo s LEU 201 Ca 0.03 0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 53.92 3fyo s LEU 201 Cb 0.09 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 43.00 3fyo s LEU 201 CO 0.54 0.06 0.42 1.67 0.23 0.00 0.00 176.35 179.26 3fyo n GLN 202 N 0.38 -3.84 -1.84 1.70 7.27 -1.26 -4.98 117.38 114.81 3fyo n GLN 202 Ca -0.04 0.86 -0.41 0.00 0.07 0.00 0.00 57.00 57.48 3fyo n GLN 202 Cb 0.52 -5.65 -0.03 0.00 2.41 0.00 0.00 30.24 27.49 3fyo n GLN 202 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3fyo s GLY 212 N -2.51 0.44 -0.13 1.69 0.00 -1.26 -4.47 107.32 101.08 3fyo s GLY 212 Ca 0.23 0.21 -0.04 0.00 0.00 0.00 0.00 44.72 45.11 3fyo s GLY 212 CO 0.28 3.55 -0.15 0.61 0.00 0.00 0.00 173.10 177.39 3fyo n GLY 213 N 5.64 -0.20 0.41 0.20 0.00 -1.26 -4.40 105.19 105.58 3fyo n GLY 213 Ca 0.26 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3fyo n GLY 213 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fyo h ARG 214 N -0.32 -0.48 -0.42 1.61 2.43 -1.98 2.61 114.38 117.83 3fyo h ARG 214 Ca -0.32 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.97 3fyo h ARG 214 Cb 1.34 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 30.90 3fyo h ARG 214 CO -0.15 -0.32 -0.24 0.00 -1.51 0.00 0.00 179.97 177.75 3fyo h ARG 215 N -0.49 -0.15 -0.32 0.20 3.08 -1.88 -0.25 114.38 114.56 3fyo h ARG 215 Ca 0.07 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 3fyo h ARG 215 Cb 0.63 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3fyo h ARG 215 CO -0.41 -0.10 -0.12 0.00 -1.07 0.00 0.00 179.97 178.27 3fyo h ALA 216 N 1.06 1.19 -0.43 0.04 0.00 -1.16 -2.63 119.26 117.33 3fyo h ALA 216 Ca 0.20 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3fyo h ALA 216 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3fyo h ALA 216 CO -0.52 0.52 -0.14 1.96 0.00 0.00 0.00 179.25 181.07 3fyo h GLN 217 N 0.51 0.86 -0.86 0.00 4.20 0.55 -2.37 115.11 117.99 3fyo h GLN 217 Ca 0.09 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 3fyo h GLN 217 Cb 0.51 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 3fyo h GLN 217 CO 0.03 0.98 0.43 0.00 -0.67 0.00 0.00 178.83 179.60 3fyo h ALA 218 N 0.85 1.11 -0.02 3.87 0.00 -0.73 -1.92 119.26 122.42 3fyo h ALA 218 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fyo h ALA 218 Cb 0.69 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3fyo h ALA 218 CO 0.05 0.67 0.01 1.25 0.00 0.00 0.00 179.25 181.22 3fyo h LEU 219 N 1.23 0.03 -0.36 0.00 5.85 -1.22 -0.38 115.31 120.46 3fyo h LEU 219 Ca 0.30 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.90 3fyo h LEU 219 Cb 0.10 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3fyo h LEU 219 CO -0.04 0.21 -0.06 0.44 -0.34 0.00 0.00 178.44 178.65 3fyo h ASP 220 N -0.15 -0.28 -0.38 1.25 5.19 -1.30 0.45 116.42 121.20 3fyo h ASP 220 Ca 0.01 0.10 -0.15 0.00 -0.62 0.00 0.00 57.03 56.37 3fyo h ASP 220 Cb 0.19 0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3fyo h ASP 220 CO -0.00 -0.09 -0.34 0.25 -3.12 0.00 0.00 179.24 175.94 3fyo h LEU 221 N 0.03 0.98 -0.35 1.55 5.85 -1.26 -1.31 115.31 120.80 3fyo h LEU 221 Ca 0.17 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3fyo h LEU 221 Cb 0.26 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3fyo h LEU 221 CO -0.35 1.22 0.20 0.00 -0.34 0.00 0.00 178.44 179.17 3fyo h ALA 222 N 0.83 0.45 -0.41 1.25 0.00 -0.66 -1.76 119.26 118.96 3fyo h ALA 222 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fyo h ALA 222 Cb 0.92 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3fyo h ALA 222 CO 0.09 -0.04 0.12 -0.07 0.00 0.00 0.00 179.25 179.35 3fyo h LEU 223 N 0.45 0.60 -0.06 0.00 3.38 -0.81 -1.72 115.31 117.14 3fyo h LEU 223 Ca 0.12 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3fyo h LEU 223 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3fyo h LEU 223 CO -0.02 0.65 -0.05 0.00 0.09 0.00 0.00 178.44 179.11 3fyo h ALA 224 N 0.97 -0.00 -0.35 1.53 0.00 -1.14 -1.78 119.26 118.48 3fyo h ALA 224 Ca 0.13 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3fyo h ALA 224 Cb 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3fyo h ALA 224 CO -0.00 -0.53 0.15 0.78 0.00 0.00 0.00 179.25 179.65 3fyo h GLY 225 N -0.06 0.46 2.00 0.00 0.00 -1.17 -2.84 103.07 101.45 3fyo h GLY 225 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3fyo h GLY 225 CO -0.10 0.06 0.00 -0.33 0.00 0.00 0.00 176.54 176.17 3fyo h MET 226 N 0.31 0.00 0.00 4.80 2.86 -1.15 -2.03 114.93 119.72 3fyo h MET 226 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3fyo h MET 226 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3fyo h MET 226 CO -0.13 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.84 3fyo h ALA 227 N 2.25 1.00 -0.11 6.32 0.00 -1.06 -2.51 119.26 125.14 3fyo h ALA 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fyo h ALA 227 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3fyo h ALA 227 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 3fyo n THR 228 N -2.83 0.14 -1.74 0.00 -2.24 -0.76 -4.99 114.28 101.85 3fyo n THR 228 Ca -0.00 -0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 61.47 3fyo n THR 228 Cb 0.19 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3fyo n THR 228 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3fyo n ARG 229 N 0.23 -0.55 -4.43 -0.78 0.63 -0.95 -4.93 116.66 105.88 3fyo n ARG 229 Ca 0.17 0.87 -0.22 0.00 -0.92 0.00 0.00 57.85 57.75 3fyo n ARG 229 Cb 0.33 -2.08 -0.10 0.00 0.45 0.00 0.00 32.46 31.06 3fyo n ARG 229 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3fyo s LEU 230 N -0.84 2.58 0.16 6.15 1.43 -1.26 -4.89 118.68 122.01 3fyo s LEU 230 Ca 0.03 -1.04 0.08 0.00 -1.03 0.00 0.00 54.13 52.17 3fyo s LEU 230 Cb -0.01 -0.93 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 3fyo s LEU 230 CO 0.15 -0.05 1.36 0.00 0.23 0.00 0.00 176.35 178.03 3fyo h ALA 231 N 2.37 0.50 -2.37 4.21 0.00 -1.02 -3.43 119.26 119.52 3fyo h ALA 231 Ca -0.39 -0.82 0.16 0.00 0.00 0.00 0.00 54.91 53.86 3fyo h ALA 231 Cb 1.24 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 3fyo h ALA 231 CO 0.61 1.13 0.47 0.20 0.00 0.00 0.00 179.25 181.66 3fyo s GLY 232 N -4.65 -0.25 -0.02 0.00 0.00 -1.22 -1.39 107.32 99.78 3fyo s GLY 232 Ca 0.01 0.20 0.05 0.00 0.00 0.00 0.00 44.72 44.98 3fyo s GLY 232 CO 0.81 0.03 -0.18 -2.27 0.00 0.00 0.00 173.10 171.49 3fyo s LEU 233 N -2.89 2.00 -0.15 0.66 2.96 -0.36 -2.08 118.68 118.82 3fyo s LEU 233 Ca 0.11 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3fyo s LEU 233 Cb -0.02 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.74 3fyo s LEU 233 CO 0.01 0.20 -0.20 0.12 -1.32 0.00 0.00 176.35 175.16 3fyo s PHE 234 N -0.28 2.58 0.39 5.38 5.99 0.30 -0.84 117.98 131.51 3fyo s PHE 234 Ca 0.03 -1.36 -0.15 0.00 0.00 0.00 0.00 56.93 55.46 3fyo s PHE 234 Cb -0.08 -1.78 0.06 0.00 0.00 0.00 0.00 43.02 41.21 3fyo s PHE 234 CO 0.00 -0.64 0.78 1.47 -0.00 0.00 0.00 175.22 176.83 3fyo n LEU 235 N 4.24 0.00 -3.88 6.12 -0.00 0.92 -2.41 117.00 121.99 3fyo n LEU 235 Ca -0.20 -2.52 -0.09 0.00 -0.00 0.00 0.00 56.01 53.20 3fyo n LEU 235 Cb 0.51 3.76 -0.08 0.00 -0.00 0.00 0.00 43.42 47.61 3fyo n LEU 235 CO 0.26 -0.84 -0.12 -1.61 -0.00 0.00 0.00 177.39 175.08 3fyo s GLU 236 N -2.09 0.79 -0.15 1.47 2.02 -1.26 -3.55 118.70 115.92 3fyo s GLU 236 Ca 0.16 -0.91 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 3fyo s GLU 236 Cb -0.05 0.32 0.12 0.00 0.10 0.00 0.00 34.13 34.62 3fyo s GLU 236 CO 0.12 -0.24 0.96 -1.12 0.02 0.00 0.00 175.26 175.00 3fyo s SER 237 N -2.69 -0.41 0.00 -0.19 0.01 -1.26 -3.54 113.70 105.62 3fyo s SER 237 Ca 0.03 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.75 3fyo s SER 237 Cb 0.04 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.62 3fyo s SER 237 CO -0.09 -0.36 0.00 1.41 0.41 0.00 0.00 173.24 174.60 3fyo n HIS 238 N 0.82 0.00 -3.06 2.43 -0.00 -1.26 -4.78 115.22 109.37 3fyo n HIS 238 Ca -0.11 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.17 3fyo n HIS 238 Cb 0.58 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.51 3fyo n HIS 238 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3fyo s ALA 251 N -1.00 3.32 -0.03 -1.41 0.00 -1.26 -3.62 121.76 117.76 3fyo s ALA 251 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.32 3fyo s ALA 251 Cb 0.00 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3fyo s ALA 251 CO 0.00 -2.17 -0.05 -1.17 0.00 0.00 0.00 175.76 172.37 3fyo s LEU 252 N 3.04 1.61 0.00 0.00 2.96 -1.23 -4.85 118.68 120.20 3fyo s LEU 252 Ca 0.19 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 3fyo s LEU 252 Cb -0.18 -0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.11 3fyo s LEU 252 CO 0.13 0.00 0.00 -2.65 -1.32 0.00 0.00 176.35 172.51 3fyo n PRO 253 N 3.58 2.04 0.00 0.98 -0.02 -1.24 -4.19 135.00 136.16 3fyo n PRO 253 Ca -0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 3fyo n PRO 253 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3fyo n PRO 253 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3fyo n LEU 254 N 0.00 0.00 0.16 2.45 0.00 -1.26 -4.20 117.00 114.15 3fyo n LEU 254 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 56.01 56.04 3fyo n LEU 254 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 43.42 43.59 3fyo n LEU 254 CO 0.00 0.00 0.55 1.12 0.00 0.00 0.00 177.39 179.06 3fyo h HIS 255 N 0.00 0.00 0.00 1.96 2.07 -1.98 -1.57 115.15 115.63 3fyo h HIS 255 Ca 0.00 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.47 3fyo h HIS 255 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3fyo h HIS 255 CO 0.00 0.47 -0.22 -0.07 -3.07 0.00 0.00 177.93 175.04 3fyo h LEU 256 N 0.00 0.00 0.23 6.12 4.07 -1.98 -2.87 115.31 120.88 3fyo h LEU 256 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 3fyo h LEU 256 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 3fyo h LEU 256 CO 0.06 0.22 -0.11 0.25 -1.08 0.00 0.00 178.44 177.78 3fyo h LEU 257 N 0.00 -0.26 -0.08 1.67 5.85 -1.53 0.25 115.31 121.22 3fyo h LEU 257 Ca -0.00 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3fyo h LEU 257 Cb 0.62 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3fyo h LEU 257 CO 0.03 -0.09 -0.47 -0.08 -0.34 0.00 0.00 178.44 177.49 3fyo h GLU 258 N -0.41 -0.55 -0.94 1.25 4.81 -1.56 -0.23 114.58 116.95 3fyo h GLU 258 Ca -0.03 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3fyo h GLU 258 Cb 0.31 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 3fyo h GLU 258 CO 0.05 -0.36 0.62 -0.44 -0.73 0.00 0.00 179.01 178.14 3fyo h ASP 259 N -0.57 1.01 0.65 1.04 3.32 -1.22 -1.28 116.42 119.38 3fyo h ASP 259 Ca 0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3fyo h ASP 259 Cb 0.67 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 40.00 3fyo h ASP 259 CO -0.38 0.68 -0.31 0.15 -1.72 0.00 0.00 179.24 177.66 3fyo h PHE 260 N 1.17 -0.81 -0.52 4.55 3.57 -0.10 -3.15 116.94 121.65 3fyo h PHE 260 Ca 0.38 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.81 3fyo h PHE 260 Cb 0.05 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3fyo h PHE 260 CO -0.00 -0.49 0.10 -0.07 -2.23 0.00 0.00 178.31 175.61 3fyo h LEU 261 N -0.90 0.75 -0.86 0.59 3.38 -0.48 -1.84 115.31 115.96 3fyo h LEU 261 Ca -0.09 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 57.90 3fyo h LEU 261 Cb 0.68 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 3fyo h LEU 261 CO 0.15 0.76 0.43 0.40 0.09 0.00 0.00 178.44 180.26 3fyo h ILE 262 N 0.77 0.69 0.07 1.22 2.04 -1.28 0.65 117.51 121.67 3fyo h ILE 262 Ca 0.17 -0.20 -0.26 0.00 1.00 0.00 0.00 64.86 65.57 3fyo h ILE 262 Cb 0.33 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3fyo h ILE 262 CO 0.00 0.11 -1.11 0.03 0.00 0.00 0.00 178.15 177.18 3fyo h ARG 263 N 0.58 0.42 -0.50 2.37 3.08 -1.34 -2.47 114.38 116.53 3fyo h ARG 263 Ca 0.48 -0.55 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3fyo h ARG 263 Cb 0.72 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3fyo h ARG 263 CO -0.39 1.21 -0.18 0.82 -1.07 0.00 0.00 179.97 180.36 3fyo h ILE 264 N 0.19 1.27 -0.55 2.04 2.04 -1.11 -2.59 117.51 118.80 3fyo h ILE 264 Ca -0.12 -1.34 -0.11 0.00 1.00 0.00 0.00 64.86 64.29 3fyo h ILE 264 Cb 1.78 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 3fyo h ILE 264 CO 0.19 0.46 -0.08 0.50 0.00 0.00 0.00 178.15 179.22 3fyo h LYS 265 N 0.86 1.01 -0.30 2.37 3.64 -0.85 0.76 116.57 124.06 3fyo h LYS 265 Ca 0.12 -0.36 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 3fyo h LYS 265 Cb 0.75 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 3fyo h LYS 265 CO 0.06 1.04 0.06 0.00 -2.27 0.00 0.00 179.45 178.34 3fyo h ALA 266 N 0.98 0.32 -0.11 5.00 0.00 -1.35 0.10 119.26 124.20 3fyo h ALA 266 Ca 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3fyo h ALA 266 Cb 0.64 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fyo h ALA 266 CO 0.04 -0.35 -0.06 1.25 0.00 0.00 0.00 179.25 180.14 3fyo h LEU 267 N 0.17 0.25 -0.42 0.00 5.85 -1.21 -2.71 115.31 117.24 3fyo h LEU 267 Ca 0.14 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.50 3fyo h LEU 267 Cb 0.15 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3fyo h LEU 267 CO -0.19 0.61 0.15 -0.78 -0.34 0.00 0.00 178.44 177.89 3fyo h ASP 268 N -0.12 0.16 -0.71 1.25 3.58 -0.74 -1.04 116.42 118.81 3fyo h ASP 268 Ca 0.03 0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.58 3fyo h ASP 268 Cb 0.52 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.54 3fyo h ASP 268 CO 0.02 0.13 0.40 0.44 -2.88 0.00 0.00 179.24 177.35 3fyo h ASP 269 N 0.32 0.61 0.16 2.28 3.32 -0.78 -0.73 116.42 121.60 3fyo h ASP 269 Ca 0.19 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3fyo h ASP 269 Cb 0.17 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3fyo h ASP 269 CO -0.19 0.39 -0.08 0.25 -1.72 0.00 0.00 179.24 177.89 3fyo h LEU 270 N 0.74 -0.19 -0.67 1.55 5.85 -1.09 -2.56 115.31 118.94 3fyo h LEU 270 Ca 0.32 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3fyo h LEU 270 Cb 0.19 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3fyo h LEU 270 CO -0.18 0.03 0.35 0.40 -0.34 0.00 0.00 178.44 178.70 3fyo h ILE 271 N -0.40 0.92 0.00 4.05 1.08 -0.97 -1.94 117.51 120.25 3fyo h ILE 271 Ca -0.02 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3fyo h ILE 271 Cb 0.32 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 3fyo h ILE 271 CO 0.04 0.12 0.00 0.29 -0.69 0.00 0.00 178.15 177.90 3fyo n LYS 272 N -4.83 0.10 0.00 2.37 4.76 -0.30 -2.16 118.16 118.11 3fyo n LYS 272 Ca 0.09 0.22 0.13 0.00 -2.87 0.00 0.00 58.31 55.88 3fyo n LYS 272 Cb 0.21 -1.65 0.41 0.00 -1.84 0.00 0.00 35.03 32.16 3fyo n LYS 272 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3fyo n SER 273 N -1.83 1.33 -4.77 4.39 3.41 -0.73 -4.85 113.62 110.55 3fyo n SER 273 Ca 0.04 -1.20 -0.37 0.00 -0.26 0.00 0.00 58.87 57.09 3fyo n SER 273 Cb 0.28 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3fyo n SER 273 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fyo s GLN 274 N -2.28 4.05 0.42 4.33 -0.21 -0.92 -5.05 119.66 120.00 3fyo s GLN 274 Ca 0.30 0.07 -0.26 0.00 0.02 0.00 0.00 55.36 55.49 3fyo s GLN 274 Cb 0.20 -3.35 -0.10 0.00 1.00 0.00 0.00 33.01 30.76 3fyo s GLN 274 CO 0.44 0.41 1.42 -2.30 -2.12 0.00 0.00 175.29 173.14 3fyo n PRO 275 N 3.01 2.32 0.00 2.91 -0.02 -1.26 -5.03 135.00 136.93 3fyo n PRO 275 Ca -0.14 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.20 3fyo n PRO 275 Cb 0.52 -2.58 0.20 0.00 -0.02 0.00 0.00 33.50 31.62 3fyo n PRO 275 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59