#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fya h PHE 4 N 0.00 0.74 0.34 0.66 3.57 -2.04 -1.89 116.94 118.31 3fya h PHE 4 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3fya h PHE 4 Cb 0.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3fya h PHE 4 CO 0.00 -0.02 -0.16 1.25 -2.23 0.00 0.00 178.31 177.14 3fya h LEU 5 N 0.36 -0.38 -0.49 0.59 5.85 -2.04 -2.55 115.31 116.64 3fya h LEU 5 Ca 0.67 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.48 3fya h LEU 5 Cb 1.67 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.72 3fya h LEU 5 CO -0.40 -0.21 -0.17 0.18 -0.34 0.00 0.00 178.44 177.50 3fya n LEU 6 N -3.57 -0.28 -0.09 2.25 4.77 -1.02 0.21 117.00 119.27 3fya n LEU 6 Ca -0.06 0.86 -0.07 0.00 -0.03 0.00 0.00 56.01 56.71 3fya n LEU 6 Cb 0.18 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3fya n LEU 6 CO 0.14 -0.79 0.69 0.77 -1.33 0.00 0.00 177.39 176.87 3fya h SER 7 N 0.00 -0.83 0.84 -1.43 4.64 -1.11 0.19 113.55 115.85 3fya h SER 7 Ca 0.19 0.16 -0.20 0.00 -0.47 0.00 0.00 61.79 61.47 3fya h SER 7 Cb 0.31 0.41 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 3fya h SER 7 CO -0.50 -0.28 -0.93 0.11 -0.87 0.00 0.00 176.83 174.37 3fya h LYS 8 N -0.21 0.05 0.75 4.77 1.57 0.18 -1.94 116.57 121.74 3fya h LYS 8 Ca 0.17 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3fya h LYS 8 Cb 0.48 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.82 3fya h LYS 8 CO -0.47 0.94 -0.36 0.28 -0.57 0.00 0.00 179.45 179.28 3fya h VAL 9 N 0.02 0.00 -0.85 0.50 2.07 -1.02 -2.48 116.25 114.48 3fya h VAL 9 Ca -0.02 -0.09 0.22 0.00 0.82 0.00 0.00 66.70 67.63 3fya h VAL 9 Cb 1.62 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.26 3fya h VAL 9 CO 0.13 0.00 0.24 -1.28 0.02 0.00 0.00 177.57 176.67 3fya h SER 10 N -1.09 0.03 -0.45 0.57 0.87 -0.67 -0.55 113.55 112.26 3fya h SER 10 Ca -0.10 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3fya h SER 10 Cb 0.77 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 3fya h SER 10 CO 0.17 -0.12 0.20 0.15 -0.53 0.00 0.00 176.83 176.71 3fya h PHE 11 N 0.24 0.66 -0.15 2.24 3.57 -1.35 -2.00 116.94 120.15 3fya h PHE 11 Ca 0.52 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.92 3fya h PHE 11 Cb 1.02 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3fya h PHE 11 CO -0.26 0.54 -0.23 0.28 -2.23 0.00 0.00 178.31 176.42 3fya h VAL 12 N 0.58 1.23 0.36 1.41 2.07 -0.65 -1.49 116.25 119.76 3fya h VAL 12 Ca 0.15 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3fya h VAL 12 Cb 0.14 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3fya h VAL 12 CO -0.02 0.33 -0.41 0.40 0.02 0.00 0.00 177.57 177.89 3fya h ILE 13 N 0.23 0.18 -0.18 4.57 2.04 -0.93 -2.28 117.51 121.14 3fya h ILE 13 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 3fya h ILE 13 Cb 0.54 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3fya h ILE 13 CO 0.04 0.00 -0.12 0.50 0.00 0.00 0.00 178.15 178.57 3fya h LYS 14 N -0.80 -0.11 -0.29 2.37 3.64 -1.19 0.06 116.57 120.25 3fya h LYS 14 Ca -0.03 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3fya h LYS 14 Cb 0.73 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.49 3fya h LYS 14 CO -0.09 -0.07 -0.40 -0.22 -2.27 0.00 0.00 179.45 176.39 3fya h LYS 15 N -0.11 -0.36 -0.16 1.90 3.64 -1.20 0.35 116.57 120.62 3fya h LYS 15 Ca 0.11 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3fya h LYS 15 Cb 0.27 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3fya h LYS 15 CO -0.25 -0.24 -0.02 0.82 -2.27 0.00 0.00 179.45 177.48 3fya h ILE 16 N -0.38 1.27 -0.80 2.00 2.04 -1.33 0.44 117.51 120.75 3fya h ILE 16 Ca 0.12 -0.93 0.19 0.00 1.00 0.00 0.00 64.86 65.24 3fya h ILE 16 Cb 0.59 1.57 -0.13 0.00 -0.74 0.00 0.00 36.82 38.12 3fya h ILE 16 CO -0.49 0.28 0.18 -0.09 0.00 0.00 0.00 178.15 178.03 3fya h ARG 17 N 0.01 0.22 -0.02 2.37 2.43 -0.60 0.77 114.38 119.56 3fya h ARG 17 Ca 0.04 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3fya h ARG 17 Cb 0.43 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3fya h ARG 17 CO 0.01 0.15 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.54 3fya h LEU 18 N 0.23 0.03 -1.31 3.80 3.38 -0.10 -0.36 115.31 120.98 3fya h LEU 18 Ca 0.47 -0.39 0.17 0.00 0.09 0.00 0.00 57.88 58.22 3fya h LEU 18 Cb 0.88 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 3fya h LEU 18 CO -0.59 0.41 0.59 -0.33 0.09 0.00 0.00 178.44 178.61 3fya h GLU 19 N -0.35 0.61 -0.32 1.13 5.08 0.84 -1.41 114.58 120.17 3fya h GLU 19 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3fya h GLU 19 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3fya h GLU 19 CO 0.00 0.40 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 3fya n LYS 20 N -4.58 0.94 -3.00 2.33 4.76 0.26 -4.84 118.16 114.04 3fya n LYS 20 Ca 0.19 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.44 3fya n LYS 20 Cb 0.55 -1.16 -0.00 0.00 -1.84 0.00 0.00 35.03 32.57 3fya n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fya n GLY 21 N 0.30 -0.49 3.62 0.72 0.00 -0.53 -4.92 105.19 103.89 3fya n GLY 21 Ca 0.00 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3fya n GLY 21 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fya s MET 22 N -5.62 2.65 0.58 1.61 0.00 -0.16 -5.05 119.30 113.32 3fya s MET 22 Ca 0.24 -0.66 0.09 0.00 0.00 0.00 0.00 55.69 55.36 3fya s MET 22 Cb -0.13 -2.56 0.09 0.00 0.00 0.00 0.00 34.83 32.23 3fya s MET 22 CO 0.30 0.62 0.72 0.25 0.00 0.00 0.00 175.02 176.91 3fya n THR 23 N 1.65 0.00 -0.03 10.11 -2.24 -1.26 -4.22 114.28 118.28 3fya n THR 23 Ca -0.16 -2.02 -0.15 0.00 -2.27 0.00 0.00 64.05 59.45 3fya n THR 23 Cb 0.53 -0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.26 3fya n THR 23 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3fya h GLN 24 N 0.00 0.22 -0.09 -0.78 4.20 -1.99 -2.35 115.11 114.32 3fya h GLN 24 Ca -0.29 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.17 3fya h GLN 24 Cb 1.27 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 3fya h GLN 24 CO 0.43 0.85 -0.19 1.05 -0.67 0.00 0.00 178.83 180.30 3fya h GLU 25 N -0.35 0.15 0.04 1.46 9.09 -1.97 0.25 114.58 123.26 3fya h GLU 25 Ca -0.02 -0.04 0.03 0.00 0.05 0.00 0.00 59.36 59.38 3fya h GLU 25 Cb 0.90 -0.02 -0.05 0.00 -1.65 0.00 0.00 28.75 27.93 3fya h GLU 25 CO 0.05 0.35 -0.43 -0.44 0.05 0.00 0.00 179.01 178.59 3fya h ASP 26 N 0.14 -1.28 0.42 3.06 5.19 -1.95 0.04 116.42 122.04 3fya h ASP 26 Ca 0.03 0.15 -0.12 0.00 -0.62 0.00 0.00 57.03 56.47 3fya h ASP 26 Cb 0.43 0.49 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 3fya h ASP 26 CO 0.03 -0.47 -0.52 0.25 -3.12 0.00 0.00 179.24 175.41 3fya h LEU 27 N -0.61 0.13 -1.34 1.55 5.85 -0.80 0.01 115.31 120.10 3fya h LEU 27 Ca 0.04 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3fya h LEU 27 Cb 0.67 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3fya h LEU 27 CO -0.30 0.62 0.45 0.00 -0.34 0.00 0.00 178.44 178.88 3fya h ALA 28 N 1.38 1.53 0.08 1.25 0.00 -0.44 -0.85 119.26 122.20 3fya h ALA 28 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fya h ALA 28 Cb 0.95 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3fya h ALA 28 CO 0.07 0.44 -0.04 -0.92 0.00 0.00 0.00 179.25 178.80 3fya h TYR 29 N 0.91 -0.09 -0.54 0.00 3.20 0.10 -0.43 116.97 120.12 3fya h TYR 29 Ca 0.25 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 3fya h TYR 29 Cb -0.09 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3fya h TYR 29 CO -0.00 0.45 0.02 0.87 -1.64 0.00 0.00 178.16 177.86 3fya h LYS 30 N -0.90 0.94 -0.00 1.82 1.57 -1.07 -2.82 116.57 116.11 3fya h LYS 30 Ca -0.01 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3fya h LYS 30 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3fya h LYS 30 CO 0.02 0.95 -0.05 -1.13 -0.57 0.00 0.00 179.45 178.66 3fya n SER 31 N -4.29 0.29 -2.53 0.86 3.41 -0.33 -4.30 113.62 106.73 3fya n SER 31 Ca 0.02 -0.54 -0.21 0.00 -0.26 0.00 0.00 58.87 57.88 3fya n SER 31 Cb 0.32 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3fya n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fya n ASN 32 N -1.03 -5.96 -4.98 4.04 4.13 -0.90 -4.54 115.26 106.03 3fya n ASN 32 Ca 0.16 -0.07 -0.23 0.00 1.68 0.00 0.00 54.58 56.12 3fya n ASN 32 Cb 0.24 -4.93 0.03 0.00 -1.54 0.00 0.00 39.78 33.59 3fya n ASN 32 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3fya s LEU 33 N -6.18 2.91 0.03 3.41 2.01 -0.22 -5.01 118.68 115.64 3fya s LEU 33 Ca 0.06 -1.03 -0.26 0.00 0.01 0.00 0.00 54.13 52.91 3fya s LEU 33 Cb -0.03 -1.41 -0.05 0.00 0.01 0.00 0.00 46.19 44.71 3fya s LEU 33 CO 0.08 -1.26 0.80 -1.81 1.01 0.00 0.00 176.35 175.16 3fya s ASP 34 N -4.51 7.23 0.22 2.29 1.01 -1.26 -4.35 116.67 117.30 3fya s ASP 34 Ca 0.50 1.47 -0.14 0.00 0.71 0.00 0.00 52.55 55.09 3fya s ASP 34 Cb -0.04 -2.48 0.26 0.00 1.01 0.00 0.00 42.92 41.67 3fya s ASP 34 CO 0.31 -0.04 1.60 0.00 0.21 0.00 0.00 175.17 177.25 3fya h ALA 35 N 5.92 0.36 -0.99 5.23 0.00 -1.89 -0.14 119.26 127.75 3fya h ALA 35 Ca -0.43 0.26 0.27 0.00 0.00 0.00 0.00 54.91 55.01 3fya h ALA 35 Cb 1.21 0.64 -0.19 0.00 0.00 0.00 0.00 17.79 19.45 3fya h ALA 35 CO 0.72 -0.48 0.00 1.79 0.00 0.00 0.00 179.25 181.28 3fya h THR 36 N -0.04 0.01 0.07 0.00 1.35 -1.98 0.17 112.91 112.50 3fya h THR 36 Ca 0.33 -0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.93 3fya h THR 36 Cb 0.55 0.01 0.01 0.00 -1.73 0.00 0.00 68.15 66.99 3fya h THR 36 CO -0.76 0.00 -1.11 1.88 -0.25 0.00 0.00 175.52 175.28 3fya h TYR 37 N 0.00 0.68 -0.18 4.73 0.99 -1.45 -2.46 116.97 119.29 3fya h TYR 37 Ca 0.59 -0.42 0.00 0.00 2.00 0.00 0.00 58.73 60.90 3fya h TYR 37 Cb 1.20 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.86 3fya h TYR 37 CO -0.52 1.27 0.12 0.82 -0.00 0.00 0.00 178.16 179.84 3fya h ILE 38 N 0.20 1.06 0.23 -2.88 1.08 -0.47 0.17 117.51 116.89 3fya h ILE 38 Ca -0.12 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.23 3fya h ILE 38 Cb 1.78 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 36.32 3fya h ILE 38 CO 0.19 0.06 -0.33 0.28 -0.69 0.00 0.00 178.15 177.66 3fya h SER 39 N 0.23 -0.92 -0.34 1.72 0.02 -1.23 -2.72 113.55 110.31 3fya h SER 39 Ca 0.07 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 3fya h SER 39 Cb -0.01 0.33 -0.08 0.00 0.14 0.00 0.00 62.40 62.78 3fya h SER 39 CO -0.01 -0.44 -0.30 1.23 -1.14 0.00 0.00 176.83 176.16 3fya h GLY 40 N -0.63 -0.23 -0.56 -3.77 0.00 -1.05 -0.38 103.07 96.45 3fya h GLY 40 Ca 0.00 0.38 0.21 0.00 0.00 0.00 0.00 47.33 47.93 3fya h GLY 40 CO -0.12 -0.21 0.05 -2.22 0.00 0.00 0.00 176.54 174.04 3fya h ILE 41 N -0.26 0.24 0.00 2.60 2.04 -0.69 -1.25 117.51 120.19 3fya h ILE 41 Ca 0.16 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3fya h ILE 41 Cb 0.52 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3fya h ILE 41 CO -0.49 0.02 0.00 -0.62 0.00 0.00 0.00 178.15 177.06 3fya n GLU 42 N -5.37 0.17 0.00 2.37 1.02 -0.18 -2.54 120.64 116.12 3fya n GLU 42 Ca 0.18 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3fya n GLU 42 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3fya n GLU 42 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3fya n ARG 43 N -1.41 0.00 0.00 3.49 1.74 -1.08 -4.70 116.66 114.70 3fya n ARG 43 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3fya n ARG 43 Cb 0.30 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 3fya n ARG 43 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fya n ASN 44 N -2.06 0.26 -3.94 0.55 3.02 -0.89 -4.86 115.26 107.34 3fya n ASN 44 Ca 0.00 -1.50 -0.30 0.00 -0.03 0.00 0.00 54.58 52.75 3fya n ASN 44 Cb 0.00 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 3fya n ASN 44 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3fya n SER 45 N -0.28 -1.56 -4.50 6.41 7.64 -0.75 -4.75 113.62 115.83 3fya n SER 45 Ca 0.00 -0.95 -0.39 0.00 1.01 0.00 0.00 58.87 58.53 3fya n SER 45 Cb 0.07 -1.16 0.03 0.00 -1.01 0.00 0.00 64.21 62.13 3fya n SER 45 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3fya n ARG 46 N -3.85 0.70 -1.63 1.43 3.00 -0.55 -4.73 116.66 111.03 3fya n ARG 46 Ca -0.14 0.26 -0.16 0.00 -0.00 0.00 0.00 57.85 57.81 3fya n ARG 46 Cb 0.45 -1.76 -0.07 0.00 0.00 0.00 0.00 32.46 31.08 3fya n ARG 46 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 3fya s ASN 47 N -1.06 4.06 0.07 6.15 3.84 -1.26 -4.51 114.94 122.22 3fya s ASN 47 Ca 0.67 -0.00 -0.23 0.00 0.21 0.00 0.00 52.86 53.51 3fya s ASN 47 Cb -0.49 -2.55 -0.06 0.00 -0.55 0.00 0.00 41.25 37.59 3fya s ASN 47 CO 0.55 -3.71 0.70 -1.48 -2.79 0.00 0.00 177.10 170.37 3fya s LEU 48 N 14.13 4.49 0.67 3.21 2.34 -1.26 -5.08 118.68 137.18 3fya s LEU 48 Ca 0.90 1.40 -0.09 0.00 0.06 0.00 0.00 54.13 56.40 3fya s LEU 48 Cb -0.12 -3.12 0.02 0.00 -0.56 0.00 0.00 46.19 42.40 3fya s LEU 48 CO 0.08 0.12 1.03 0.42 -1.06 0.00 0.00 176.35 176.94 3fya s THR 49 N -0.52 3.47 0.45 5.48 -4.23 -1.26 -4.91 115.64 114.12 3fya s THR 49 Ca 0.35 0.27 0.16 0.00 -1.18 0.00 0.00 61.69 61.29 3fya s THR 49 Cb -0.20 -3.44 0.34 0.00 1.34 0.00 0.00 72.50 70.54 3fya s THR 49 CO 0.22 -0.53 1.98 0.40 -0.54 0.00 0.00 174.62 176.14 3fya h ILE 50 N -0.49 0.85 -0.12 2.99 5.03 -2.00 -1.63 117.51 122.15 3fya h ILE 50 Ca -0.45 -0.11 -0.01 0.00 -0.12 0.00 0.00 64.86 64.16 3fya h ILE 50 Cb 1.26 0.49 -0.00 0.00 -3.03 0.00 0.00 36.82 35.53 3fya h ILE 50 CO 0.63 0.06 0.02 0.11 -0.68 0.00 0.00 178.15 178.29 3fya h LYS 51 N 0.33 0.20 -0.88 2.37 1.79 -1.99 -2.23 116.57 116.16 3fya h LYS 51 Ca 0.28 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.76 3fya h LYS 51 Cb 0.66 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.23 3fya h LYS 51 CO -0.07 0.39 0.55 0.77 -1.08 0.00 0.00 179.45 180.01 3fya h SER 52 N -0.03 0.87 -0.32 0.86 0.02 -1.71 0.38 113.55 113.62 3fya h SER 52 Ca 0.04 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3fya h SER 52 Cb 0.29 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3fya h SER 52 CO 0.00 0.56 0.13 0.25 -1.14 0.00 0.00 176.83 176.63 3fya h LEU 53 N 1.00 0.18 -0.20 5.07 6.46 -1.27 0.14 115.31 126.69 3fya h LEU 53 Ca 0.38 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.16 3fya h LEU 53 Cb 0.16 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3fya h LEU 53 CO -0.17 0.14 0.10 -0.08 -0.62 0.00 0.00 178.44 177.81 3fya h GLU 54 N 0.29 0.28 -0.45 1.25 4.81 -0.60 0.31 114.58 120.47 3fya h GLU 54 Ca 0.14 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 3fya h GLU 54 Cb 0.08 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.31 3fya h GLU 54 CO -0.12 0.29 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.09 3fya h LEU 55 N 0.20 -0.96 -0.37 1.64 4.07 0.26 -1.94 115.31 118.20 3fya h LEU 55 Ca 0.07 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 3fya h LEU 55 Cb 0.10 0.48 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 3fya h LEU 55 CO -0.01 -0.29 0.21 0.40 -1.08 0.00 0.00 178.44 177.67 3fya h ILE 56 N -0.19 1.14 -0.24 1.22 2.04 -0.43 -1.61 117.51 119.44 3fya h ILE 56 Ca 0.20 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.76 3fya h ILE 56 Cb 0.51 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3fya h ILE 56 CO -0.56 0.15 0.41 0.24 0.00 0.00 0.00 178.15 178.39 3fya h MET 57 N 0.48 0.00 0.00 2.37 2.86 0.37 0.13 114.93 121.13 3fya h MET 57 Ca 0.13 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.46 3fya h MET 57 Cb 0.06 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 3fya h MET 57 CO -0.02 0.00 -2.16 1.63 1.06 0.00 0.00 176.91 177.42 3fya n LYS 58 N -3.36 0.67 -0.18 1.72 5.02 -0.86 -3.03 118.16 118.14 3fya n LYS 58 Ca 0.04 0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.37 3fya n LYS 58 Cb 0.53 -1.59 0.09 0.00 -0.02 0.00 0.00 35.03 34.04 3fya n LYS 58 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3fya h GLY 59 N 3.88 0.66 2.00 0.72 0.00 -0.36 -3.01 103.07 106.97 3fya h GLY 59 Ca -0.43 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3fya h GLY 59 CO 0.04 -0.12 0.00 1.41 0.00 0.00 0.00 176.54 177.87 3fya h LEU 60 N 0.20 0.00 -1.54 3.11 3.38 -0.87 -3.44 115.31 116.16 3fya h LEU 60 Ca 0.29 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.80 3fya h LEU 60 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3fya h LEU 60 CO -0.40 0.00 -0.82 -1.84 0.09 0.00 0.00 178.44 175.47 3fya n GLU 61 N -2.43 -4.82 -4.47 1.13 -0.00 -1.14 -5.00 120.64 103.92 3fya n GLU 61 Ca 0.02 0.58 -0.21 0.00 -0.00 0.00 0.00 57.16 57.55 3fya n GLU 61 Cb 0.26 -5.18 -0.15 0.00 -0.00 0.00 0.00 31.44 26.38 3fya n GLU 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3fya s VAL 62 N -3.59 0.88 1.11 3.84 0.11 -1.17 -5.08 120.40 116.49 3fya s VAL 62 Ca 0.22 -0.43 -0.13 0.00 -2.93 0.00 0.00 61.98 58.71 3fya s VAL 62 Cb -0.11 -0.76 0.25 0.00 -1.53 0.00 0.00 36.38 34.23 3fya s VAL 62 CO 0.83 0.26 1.06 -0.94 -3.33 0.00 0.00 175.10 172.98 3fya s SER 63 N 0.01 1.60 0.11 3.54 1.04 -1.26 -4.74 113.70 114.01 3fya s SER 63 Ca -0.00 1.24 -0.05 0.00 0.48 0.00 0.00 55.95 57.62 3fya s SER 63 Cb -0.07 -1.93 -0.14 0.00 0.10 0.00 0.00 66.02 63.97 3fya s SER 63 CO 0.00 -3.78 1.26 0.44 0.98 0.00 0.00 173.24 172.15 3fya h ASP 64 N -2.33 0.52 0.64 7.02 5.19 -1.99 -2.56 116.42 122.91 3fya h ASP 64 Ca -0.57 -0.45 -0.03 0.00 -0.62 0.00 0.00 57.03 55.35 3fya h ASP 64 Cb 1.33 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 40.69 3fya h ASP 64 CO 0.53 1.27 -0.31 0.58 -3.12 0.00 0.00 179.24 178.19 3fya h VAL 65 N 0.20 0.31 -0.80 -1.35 2.07 -1.99 -2.43 116.25 112.26 3fya h VAL 65 Ca -0.10 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 3fya h VAL 65 Cb 1.68 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3fya h VAL 65 CO 0.18 0.02 0.41 -0.37 0.02 0.00 0.00 177.57 177.83 3fya h VAL 66 N -0.98 1.24 0.06 2.57 -1.51 -1.94 -1.48 116.25 114.21 3fya h VAL 66 Ca -0.09 -0.65 0.02 0.00 -1.23 0.00 0.00 66.70 64.75 3fya h VAL 66 Cb 0.69 0.21 -0.03 0.00 -2.13 0.00 0.00 31.29 30.03 3fya h VAL 66 CO 0.14 0.28 -0.20 0.15 -1.23 0.00 0.00 177.57 176.72 3fya h PHE 67 N 1.12 -0.53 -0.01 5.19 3.57 -1.49 -0.17 116.94 124.63 3fya h PHE 67 Ca 0.28 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 3fya h PHE 67 Cb 0.08 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3fya h PHE 67 CO 0.01 -0.29 -0.53 0.74 -2.23 0.00 0.00 178.31 176.01 3fya h PHE 68 N -0.35 0.02 -0.80 0.41 0.04 -1.29 0.20 116.94 115.17 3fya h PHE 68 Ca 0.04 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3fya h PHE 68 Cb 0.40 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 3fya h PHE 68 CO -0.22 0.55 0.49 0.93 -0.60 0.00 0.00 178.31 179.46 3fya h GLU 69 N 0.01 1.08 0.00 1.51 5.08 -1.00 -1.37 114.58 119.89 3fya h GLU 69 Ca -0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3fya h GLU 69 Cb 0.95 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3fya h GLU 69 CO 0.07 0.75 -0.20 0.52 -1.00 0.00 0.00 179.01 179.15 3fya h MET 70 N 1.10 0.00 0.22 2.33 2.86 0.17 -3.05 114.93 118.57 3fya h MET 70 Ca 0.29 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 3fya h MET 70 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3fya h MET 70 CO -0.06 0.20 -0.11 1.25 1.06 0.00 0.00 176.91 179.26 3fya h LEU 71 N 0.00 -0.26 -0.80 1.22 5.85 -0.04 -3.04 115.31 118.24 3fya h LEU 71 Ca -0.00 -0.22 0.19 0.00 0.84 0.00 0.00 57.88 58.69 3fya h LEU 71 Cb 0.97 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 41.93 3fya h LEU 71 CO 0.03 0.26 0.05 0.40 -0.34 0.00 0.00 178.44 178.84 3fya h ILE 72 N -0.97 0.31 -0.73 4.05 2.04 -1.38 -0.59 117.51 120.24 3fya h ILE 72 Ca -0.03 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3fya h ILE 72 Cb 0.46 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 3fya h ILE 72 CO 0.05 0.02 0.38 0.50 0.00 0.00 0.00 178.15 179.10 3fya h LYS 73 N 0.12 0.63 -0.28 2.37 3.64 -1.61 0.79 116.57 122.23 3fya h LYS 73 Ca 0.46 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.68 3fya h LYS 73 Cb 0.84 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3fya h LYS 73 CO -0.69 0.42 -0.33 0.93 -2.27 0.00 0.00 179.45 177.51 3fya h GLU 74 N 0.65 0.60 -0.71 1.90 3.07 -1.08 0.22 114.58 119.23 3fya h GLU 74 Ca 0.35 -0.27 -0.06 0.00 -0.50 0.00 0.00 59.36 58.89 3fya h GLU 74 Cb 0.35 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 3fya h GLU 74 CO -0.25 0.85 0.23 0.82 -1.40 0.00 0.00 179.01 179.25 3fya h ILE 75 N 0.51 1.26 0.11 3.13 2.04 -0.09 -3.33 117.51 121.13 3fya h ILE 75 Ca 0.06 -0.88 -0.28 0.00 1.00 0.00 0.00 64.86 64.75 3fya h ILE 75 Cb 0.82 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3fya h ILE 75 CO 0.07 0.35 -1.33 -0.07 0.00 0.00 0.00 178.15 177.17 3fya h LEU 76 N 1.04 0.35 -9.83 1.44 3.38 0.93 -3.46 115.31 109.17 3fya h LEU 76 Ca 0.23 -0.41 -0.53 0.00 0.09 0.00 0.00 57.88 57.26 3fya h LEU 76 Cb 0.30 -0.11 0.09 0.00 0.09 0.00 0.00 40.66 41.02 3fya h LEU 76 CO -0.01 1.33 0.85 -0.54 0.09 0.00 0.00 178.44 180.16 3fya s LYS 77 N -2.65 4.13 0.09 1.13 -0.14 0.03 -4.99 119.74 117.35 3fya s LYS 77 Ca -0.05 2.55 0.01 0.00 -1.36 0.00 0.00 55.97 57.12 3fya s LYS 77 Cb 0.07 -3.02 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 3fya s LYS 77 CO 0.86 -0.59 0.08 -2.39 -0.76 0.00 0.00 175.35 172.56 3fya n HIS 78 N 1.79 -0.32 -0.68 3.18 1.44 -1.26 -4.96 115.22 114.41 3fya n HIS 78 Ca 0.06 -0.69 0.00 0.00 -2.01 0.00 0.00 57.72 55.08 3fya n HIS 78 Cb 0.38 0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.58 3fya n HIS 78 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28