#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fhu h GLY 33 N 0.00 0.51 0.82 0.00 0.00 -1.99 -1.41 103.07 100.99 3fhu h GLY 33 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.06 3fhu h GLY 33 CO 0.00 0.28 0.27 -0.84 0.00 0.00 0.00 176.54 176.25 3fhu h THR 34 N 0.33 1.01 -0.26 4.70 2.02 -2.03 -1.89 112.91 116.80 3fhu h THR 34 Ca 0.10 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3fhu h THR 34 Cb 0.24 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3fhu h THR 34 CO -0.00 0.10 0.15 -0.33 0.37 0.00 0.00 175.52 175.81 3fhu h GLU 35 N 0.54 0.35 -0.41 6.66 3.07 -1.96 -0.68 114.58 122.14 3fhu h GLU 35 Ca 0.20 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.09 3fhu h GLU 35 Cb 0.06 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 27.85 3fhu h GLU 35 CO -0.11 0.27 0.10 -0.07 -1.40 0.00 0.00 179.01 177.80 3fhu h LEU 36 N 0.32 0.06 -1.12 1.33 3.38 -0.86 -1.63 115.31 116.78 3fhu h LEU 36 Ca 0.09 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3fhu h LEU 36 Cb 0.02 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3fhu h LEU 36 CO -0.02 0.07 0.18 0.74 0.09 0.00 0.00 178.44 179.50 3fhu h THR 37 N 0.24 1.21 -0.34 0.22 2.02 -1.11 -1.45 112.91 113.71 3fhu h THR 37 Ca 0.20 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 3fhu h THR 37 Cb 0.22 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3fhu h THR 37 CO -0.24 0.27 0.09 0.78 0.37 0.00 0.00 175.52 176.79 3fhu h ASN 38 N 0.78 0.50 -0.62 4.18 2.35 -0.24 -0.99 115.58 121.55 3fhu h ASN 38 Ca 0.18 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 3fhu h ASN 38 Cb 0.21 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3fhu h ASN 38 CO -0.01 0.60 0.11 1.88 -1.65 0.00 0.00 177.43 178.35 3fhu h TYR 39 N 0.39 1.08 -0.24 1.19 0.05 -1.07 0.08 116.97 118.45 3fhu h TYR 39 Ca 0.11 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 3fhu h TYR 39 Cb 0.28 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 3fhu h TYR 39 CO 0.01 0.92 0.05 1.96 -1.05 0.00 0.00 178.16 180.05 3fhu h GLN 40 N 0.93 0.39 -0.22 4.88 4.20 -1.12 -0.15 115.11 124.02 3fhu h GLN 40 Ca 0.19 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 3fhu h GLN 40 Cb 0.41 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3fhu h GLN 40 CO 0.01 0.51 -0.48 1.79 -0.67 0.00 0.00 178.83 179.99 3fhu h THR 41 N 0.20 1.31 -0.69 -0.54 1.35 -1.16 -0.43 112.91 112.94 3fhu h THR 41 Ca 0.07 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 3fhu h THR 41 Cb 0.31 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.36 3fhu h THR 41 CO 0.00 0.53 0.44 0.25 -0.25 0.00 0.00 175.52 176.49 3fhu h LEU 42 N 0.46 0.81 -0.19 3.87 5.85 -0.83 0.30 115.31 125.58 3fhu h LEU 42 Ca 0.02 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3fhu h LEU 42 Cb 1.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3fhu h LEU 42 CO 0.09 0.61 0.08 0.00 -0.34 0.00 0.00 178.44 178.88 3fhu h ALA 43 N 1.24 0.25 -0.17 1.25 0.00 -0.73 0.02 119.26 121.10 3fhu h ALA 43 Ca 0.25 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3fhu h ALA 43 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3fhu h ALA 43 CO -0.05 -0.17 -0.08 1.15 0.00 0.00 0.00 179.25 180.10 3fhu h THR 44 N 0.16 0.74 -0.68 0.00 2.02 -0.40 0.14 112.91 114.88 3fhu h THR 44 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.28 3fhu h THR 44 Cb 0.16 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3fhu h THR 44 CO -0.01 0.00 0.42 0.78 0.37 0.00 0.00 175.52 177.08 3fhu h ASN 45 N -0.06 0.68 -0.18 4.18 2.35 -0.27 0.37 115.58 122.67 3fhu h ASN 45 Ca 0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3fhu h ASN 45 Cb 0.20 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3fhu h ASN 45 CO -0.21 0.47 0.06 0.74 -1.65 0.00 0.00 177.43 176.83 3fhu h THR 46 N 0.82 1.18 -0.88 2.81 2.02 -0.42 0.30 112.91 118.74 3fhu h THR 46 Ca 0.28 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.96 3fhu h THR 46 Cb 0.04 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 3fhu h THR 46 CO -0.12 0.18 0.57 0.40 0.37 0.00 0.00 175.52 176.92 3fhu h ILE 47 N 0.11 1.06 -0.53 3.11 2.04 -0.36 0.00 117.51 122.94 3fhu h ILE 47 Ca 0.06 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 3fhu h ILE 47 Cb 0.22 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3fhu h ILE 47 CO -0.00 0.18 -0.08 1.23 0.00 0.00 0.00 178.15 179.47 3fhu h GLY 48 N 0.99 1.07 0.93 5.37 0.00 -0.48 -2.58 103.07 108.36 3fhu h GLY 48 Ca 0.38 -0.85 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3fhu h GLY 48 CO -0.14 0.78 0.06 1.98 0.00 0.00 0.00 176.54 179.22 3fhu h MET 49 N 0.86 0.63 0.00 4.80 1.85 0.06 -3.07 114.93 120.06 3fhu h MET 49 Ca 0.14 -0.17 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 3fhu h MET 49 Cb 0.64 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.60 3fhu h MET 49 CO 0.04 0.69 0.00 0.52 -0.40 0.00 0.00 176.91 177.77 3fhu h MET 50 N 0.47 0.00 0.00 0.39 2.07 -0.96 -2.72 114.93 114.19 3fhu h MET 50 Ca 0.11 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.74 3fhu h MET 50 Cb 0.37 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 3fhu h MET 50 CO 0.01 0.00 -0.03 0.87 1.07 0.00 0.00 176.91 178.82 3fhu h LYS 51 N 0.00 0.00 -0.01 1.72 1.57 -1.36 -2.75 116.57 115.75 3fhu h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fhu h LYS 51 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3fhu h LYS 51 CO 0.00 0.03 -0.67 0.41 -0.57 0.00 0.00 179.45 178.66 3fhu n GLY 52 N -0.27 -0.54 3.77 3.86 0.00 -1.02 -4.93 105.19 106.06 3fhu n GLY 52 Ca -0.00 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 3fhu n GLY 52 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fhu s VAL 53 N -2.73 4.88 -0.15 1.61 -7.23 -1.04 -5.06 120.40 110.68 3fhu s VAL 53 Ca 0.14 1.23 -0.18 0.00 -1.81 0.00 0.00 61.98 61.36 3fhu s VAL 53 Cb 0.17 -3.92 0.05 0.00 0.56 0.00 0.00 36.38 33.24 3fhu s VAL 53 CO 0.70 0.45 0.48 -1.81 -0.31 0.00 0.00 175.10 174.60 3fhu s ASP 54 N -0.40 -0.48 0.00 4.85 1.01 -1.26 -4.88 116.67 115.51 3fhu s ASP 54 Ca 0.30 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.41 3fhu s ASP 54 Cb -0.18 0.88 0.00 0.00 1.01 0.00 0.00 42.92 44.62 3fhu s ASP 54 CO 0.17 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.93 3fhu n GLY 55 N 2.49 2.36 3.24 0.21 0.00 -1.26 -5.00 105.19 107.23 3fhu n GLY 55 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 3fhu n GLY 55 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3fhu s TYR 56 N -2.26 0.31 0.07 1.61 -0.85 -1.26 -5.17 117.35 109.80 3fhu s TYR 56 Ca 0.00 -0.72 -0.07 0.00 -0.52 0.00 0.00 57.07 55.76 3fhu s TYR 56 Cb 0.00 -0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 3fhu s TYR 56 CO 0.00 -0.59 0.14 0.00 -1.52 0.00 0.00 175.55 173.58 3fhu s ALA 57 N -3.92 -0.09 0.40 9.51 0.00 -1.26 -5.00 121.76 121.40 3fhu s ALA 57 Ca 0.11 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 51.18 3fhu s ALA 57 Cb 0.05 0.39 -0.11 0.00 0.00 0.00 0.00 23.12 23.45 3fhu s ALA 57 CO -0.06 -0.44 0.94 -0.06 0.00 0.00 0.00 175.76 176.14 3fhu s PHE 58 N -3.55 3.40 -0.20 0.00 0.08 -1.26 -4.96 117.98 111.50 3fhu s PHE 58 Ca 0.03 1.64 0.03 0.00 0.12 0.00 0.00 56.93 58.74 3fhu s PHE 58 Cb 0.04 -2.86 -0.02 0.00 -0.57 0.00 0.00 43.02 39.62 3fhu s PHE 58 CO -0.09 -0.03 0.25 0.25 -0.10 0.00 0.00 175.22 175.50 3fhu n THR 59 N -0.35 0.00 -3.92 0.64 -2.24 -1.26 -4.68 114.28 102.48 3fhu n THR 59 Ca 0.06 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.28 3fhu n THR 59 Cb 0.53 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.67 3fhu n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fhu s SER 60 N -0.99 0.10 0.24 3.42 1.04 -1.26 -4.96 113.70 111.28 3fhu s SER 60 Ca 0.02 -0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 3fhu s SER 60 Cb 0.02 0.15 0.26 0.00 0.10 0.00 0.00 66.02 66.56 3fhu s SER 60 CO 0.09 -0.28 1.65 1.23 0.98 0.00 0.00 173.24 176.92 3fhu h GLY 61 N 4.75 0.69 0.53 7.32 0.00 -1.95 -2.21 103.07 112.20 3fhu h GLY 61 Ca -0.30 -0.60 0.05 0.00 0.00 0.00 0.00 47.33 46.47 3fhu h GLY 61 CO 0.42 0.55 -0.07 0.00 0.00 0.00 0.00 176.54 177.44 3fhu h ALA 62 N 1.15 0.13 -0.25 3.60 0.00 -1.96 0.32 119.26 122.25 3fhu h ALA 62 Ca 0.07 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3fhu h ALA 62 Cb 0.75 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3fhu h ALA 62 CO 0.06 -0.49 -0.07 -0.22 0.00 0.00 0.00 179.25 178.53 3fhu h LYS 63 N -0.02 0.50 -0.88 0.00 1.63 -1.90 -0.83 116.57 115.07 3fhu h LYS 63 Ca 0.11 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3fhu h LYS 63 Cb 0.19 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 3fhu h LYS 63 CO -0.24 0.72 0.50 1.98 -3.45 0.00 0.00 179.45 178.96 3fhu h MET 64 N 0.24 1.22 -0.14 1.90 4.05 -1.09 -0.99 114.93 120.12 3fhu h MET 64 Ca 0.06 -0.13 -0.18 0.00 -0.28 0.00 0.00 59.70 59.18 3fhu h MET 64 Cb 0.54 -0.24 0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3fhu h MET 64 CO 0.03 0.88 -0.60 1.15 0.23 0.00 0.00 176.91 178.59 3fhu h THR 65 N 1.23 1.32 -0.69 -0.77 2.02 -0.29 -2.28 112.91 113.44 3fhu h THR 65 Ca 0.31 -1.85 -0.00 0.00 0.77 0.00 0.00 66.41 65.64 3fhu h THR 65 Cb -0.00 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 3fhu h THR 65 CO -0.05 0.57 0.41 -0.78 0.37 0.00 0.00 175.52 176.04 3fhu h ASP 66 N 0.33 0.84 -0.07 4.18 3.58 -0.95 -0.49 116.42 123.83 3fhu h ASP 66 Ca -0.03 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 3fhu h ASP 66 Cb 1.23 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 3fhu h ASP 66 CO 0.12 0.66 0.04 0.74 -2.88 0.00 0.00 179.24 177.92 3fhu h THR 67 N 0.95 1.10 -0.87 2.25 2.02 -1.20 -0.03 112.91 117.13 3fhu h THR 67 Ca 0.25 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.19 3fhu h THR 67 Cb -0.02 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3fhu h THR 67 CO -0.05 0.09 0.54 -0.07 0.37 0.00 0.00 175.52 176.40 3fhu h LEU 68 N 0.01 0.86 -0.60 2.58 3.38 -1.15 -0.43 115.31 119.96 3fhu h LEU 68 Ca 0.03 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3fhu h LEU 68 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3fhu h LEU 68 CO -0.00 0.55 0.16 0.40 0.09 0.00 0.00 178.44 179.64 3fhu h ILE 69 N 1.00 1.25 -0.79 1.22 2.04 -0.79 -1.26 117.51 120.17 3fhu h ILE 69 Ca 0.37 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3fhu h ILE 69 Cb 0.15 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3fhu h ILE 69 CO -0.17 0.33 0.42 1.56 0.00 0.00 0.00 178.15 180.29 3fhu h GLN 70 N 0.86 1.11 0.00 2.37 1.08 -0.03 -2.00 115.11 118.50 3fhu h GLN 70 Ca 0.19 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3fhu h GLN 70 Cb 0.33 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3fhu h GLN 70 CO -0.00 0.82 0.00 0.00 -0.95 0.00 0.00 178.83 178.70 3fhu n ALA 71 N -2.42 2.40 -2.00 3.87 0.00 -0.26 -4.89 120.51 117.20 3fhu n ALA 71 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3fhu n ALA 71 Cb 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3fhu n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhu n GLY 72 N 0.81 0.40 0.58 0.00 0.00 -0.75 -4.96 105.19 101.27 3fhu n GLY 72 Ca 0.16 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.41 3fhu n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhu n ALA 73 N -1.04 2.52 -2.52 4.61 0.00 -0.50 -4.22 120.51 119.35 3fhu n ALA 73 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 53.44 52.91 3fhu n ALA 73 Cb 0.50 -1.08 0.05 0.00 0.00 0.00 0.00 19.45 18.91 3fhu n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fhu n ALA 74 N 0.38 2.72 -0.34 0.00 0.00 -1.26 -4.40 120.51 117.60 3fhu n ALA 74 Ca 0.17 -2.67 0.16 0.00 0.00 0.00 0.00 53.44 51.10 3fhu n ALA 74 Cb 0.35 -0.73 0.37 0.00 0.00 0.00 0.00 19.45 19.44 3fhu n ALA 74 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3fhu h LYS 75 N 1.66 0.56 0.00 0.00 1.57 -1.95 -1.30 116.57 117.11 3fhu h LYS 75 Ca -0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3fhu h LYS 75 Cb 1.57 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3fhu h LYS 75 CO 0.16 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 3fhu n GLY 76 N -1.32 -1.20 3.86 3.86 0.00 -1.26 -4.83 105.19 104.31 3fhu n GLY 76 Ca 0.26 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3fhu n GLY 76 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3fhu s MET 77 N -2.88 2.89 -0.10 1.61 -1.94 -0.49 -5.06 119.30 113.32 3fhu s MET 77 Ca 0.14 -1.14 -0.30 0.00 -1.71 0.00 0.00 55.69 52.68 3fhu s MET 77 Cb 0.15 -2.57 -0.03 0.00 2.01 0.00 0.00 34.83 34.38 3fhu s MET 77 CO 0.39 0.23 1.32 0.99 -0.01 0.00 0.00 175.02 177.94 3fhu s THR 78 N -2.20 4.09 -0.09 2.05 2.01 -1.16 -4.93 115.64 115.41 3fhu s THR 78 Ca 0.38 1.37 0.03 0.00 0.31 0.00 0.00 61.69 63.77 3fhu s THR 78 Cb -0.07 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 3fhu s THR 78 CO 0.27 -0.08 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.25 3fhu s VAL 79 N 3.11 2.70 0.00 3.82 1.01 -1.26 -0.58 120.40 129.21 3fhu s VAL 79 Ca 0.59 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3fhu s VAL 79 Cb -0.25 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3fhu s VAL 79 CO 0.20 0.55 0.00 -1.20 0.00 0.00 0.00 175.10 174.66 3fhu n SER 80 N 3.11 0.00 -4.78 3.32 7.64 -0.68 -5.00 113.62 117.22 3fhu n SER 80 Ca -0.18 -0.57 -0.36 0.00 1.01 0.00 0.00 58.87 58.77 3fhu n SER 80 Cb 0.52 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.65 3fhu n SER 80 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3fhu s GLY 81 N -0.57 2.04 0.00 0.23 0.00 -1.26 -1.14 107.32 106.62 3fhu s GLY 81 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 3fhu s GLY 81 CO 0.00 -0.33 0.88 1.34 0.00 0.00 0.00 173.10 174.98 3fhu n ASP 82 N 2.34 0.00 -4.55 1.64 -0.08 -0.57 -4.71 116.55 110.63 3fhu n ASP 82 Ca -0.19 0.88 -0.26 0.00 -1.51 0.00 0.00 54.79 53.71 3fhu n ASP 82 Cb 0.54 -0.38 -0.10 0.00 2.34 0.00 0.00 41.12 43.52 3fhu n ASP 82 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3fhu s PRO 83 N -2.51 1.83 0.00 -0.67 0.04 -1.26 -5.04 135.00 127.40 3fhu s PRO 83 Ca 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 61.00 59.13 3fhu s PRO 83 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 3fhu s PRO 83 CO 0.00 0.16 0.00 0.00 0.04 0.00 0.00 177.00 177.20 3fhu n ALA 84 N -0.79 0.05 -2.66 8.56 0.00 -1.26 -4.84 120.51 119.56 3fhu n ALA 84 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 3fhu n ALA 84 Cb 0.63 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.18 3fhu n ALA 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fhu n SER 85 N -0.02 -1.45 -3.44 0.00 3.41 -1.26 -5.01 113.62 105.86 3fhu n SER 85 Ca 0.00 -2.13 -0.18 0.00 -0.26 0.00 0.00 58.87 56.30 3fhu n SER 85 Cb 0.00 0.76 0.07 0.00 -0.26 0.00 0.00 64.21 64.78 3fhu n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fhu n GLY 86 N -0.99 -0.63 3.09 5.00 0.00 -1.26 -5.01 105.19 105.39 3fhu n GLY 86 Ca -0.12 0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3fhu n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fhu s SER 87 N -4.01 2.66 0.43 1.61 0.01 -1.26 -5.07 113.70 108.07 3fhu s SER 87 Ca 0.17 -0.49 -0.23 0.00 1.31 0.00 0.00 55.95 56.72 3fhu s SER 87 Cb -0.03 -1.21 -0.09 0.00 0.21 0.00 0.00 66.02 64.91 3fhu s SER 87 CO 0.75 0.04 1.05 0.00 0.41 0.00 0.00 173.24 175.49 3fhu s ALA 88 N 0.93 3.00 0.26 1.44 0.00 -1.26 -1.51 121.76 124.61 3fhu s ALA 88 Ca -0.07 0.67 0.10 0.00 0.00 0.00 0.00 51.96 52.66 3fhu s ALA 88 Cb -0.15 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3fhu s ALA 88 CO -0.02 -0.26 -0.05 0.95 0.00 0.00 0.00 175.76 176.39 3fhu s THR 89 N -1.78 3.28 0.01 0.00 -4.23 -0.29 -3.86 115.64 108.77 3fhu s THR 89 Ca 0.61 -1.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.24 3fhu s THR 89 Cb -0.20 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 3fhu s THR 89 CO 0.25 -0.34 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.58 3fhu s LEU 90 N -3.53 2.51 0.01 4.79 2.96 -1.26 -1.69 118.68 122.47 3fhu s LEU 90 Ca 0.30 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3fhu s LEU 90 Cb -0.07 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 3fhu s LEU 90 CO 0.19 0.29 -0.05 0.26 -1.32 0.00 0.00 176.35 175.72 3fhu s TRP 91 N -0.81 0.40 0.93 5.38 0.52 0.26 -1.12 118.94 124.49 3fhu s TRP 91 Ca 0.13 -0.16 -0.15 0.00 0.02 0.00 0.00 56.10 55.93 3fhu s TRP 91 Cb -0.10 -0.25 0.18 0.00 -1.15 0.00 0.00 33.47 32.14 3fhu s TRP 91 CO 0.03 -0.03 1.29 0.54 0.02 0.00 0.00 176.95 178.80 3fhu s ASN 92 N -0.42 3.38 0.65 2.95 2.20 0.12 -2.96 114.94 120.86 3fhu s ASN 92 Ca -0.01 0.34 0.32 0.00 -0.94 0.00 0.00 52.86 52.56 3fhu s ASN 92 Cb -0.03 -0.47 1.72 0.00 -2.00 0.00 0.00 41.25 40.47 3fhu s ASN 92 CO -0.00 -2.57 2.00 0.28 -2.94 0.00 0.00 177.10 173.86 3fhu h SER 93 N -1.52 0.00 -0.40 3.54 0.02 -1.98 -1.74 113.55 111.48 3fhu h SER 93 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3fhu h SER 93 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3fhu h SER 93 CO 0.43 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.91 3fhu n TRP 94 N -3.13 0.51 -0.58 3.45 8.01 -1.26 -4.93 117.44 119.52 3fhu n TRP 94 Ca -0.00 -0.30 0.00 0.00 -1.31 0.00 0.00 57.50 55.88 3fhu n TRP 94 Cb 0.37 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.66 3fhu n TRP 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3fhu n GLY 95 N 1.28 0.72 3.85 6.99 0.00 -0.65 -5.00 105.19 112.38 3fhu n GLY 95 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3fhu n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fhu s GLY 96 N -1.96 2.45 0.38 -0.02 0.00 -1.26 -4.83 107.32 102.08 3fhu s GLY 96 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 44.72 44.31 3fhu s GLY 96 CO 0.00 0.12 1.14 1.62 0.00 0.00 0.00 173.10 175.99 3fhu s GLN 97 N -1.90 4.18 -0.15 2.90 0.74 -1.26 0.16 119.66 124.33 3fhu s GLN 97 Ca 0.36 1.79 0.00 0.00 0.05 0.00 0.00 55.36 57.56 3fhu s GLN 97 Cb -0.15 -2.75 -0.00 0.00 1.10 0.00 0.00 33.01 31.21 3fhu s GLN 97 CO 0.19 -0.20 -0.15 0.42 -0.55 0.00 0.00 175.29 175.00 3fhu s ILE 98 N -1.41 2.75 -0.07 -2.34 1.01 -0.28 -1.31 121.20 119.55 3fhu s ILE 98 Ca 0.55 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3fhu s ILE 98 Cb -0.30 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.03 3fhu s ILE 98 CO 0.38 0.51 -0.08 -0.69 0.00 0.00 0.00 174.94 175.06 3fhu s VAL 99 N 0.74 0.89 -0.22 2.92 1.01 0.07 -4.03 120.40 121.78 3fhu s VAL 99 Ca -0.06 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 3fhu s VAL 99 Cb -0.15 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 3fhu s VAL 99 CO 0.01 0.31 0.19 -0.69 0.00 0.00 0.00 175.10 174.92 3fhu s VAL 100 N 0.99 5.35 0.01 2.92 1.01 -1.26 -1.30 120.40 128.13 3fhu s VAL 100 Ca -0.09 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 3fhu s VAL 100 Cb -0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3fhu s VAL 100 CO 0.00 0.36 0.02 0.00 0.00 0.00 0.00 175.10 175.49 3fhu s ALA 101 N 0.85 -0.02 0.49 5.51 0.00 -0.68 -3.77 121.76 124.15 3fhu s ALA 101 Ca 0.10 -0.44 -0.22 0.00 0.00 0.00 0.00 51.96 51.40 3fhu s ALA 101 Cb -0.13 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 3fhu s ALA 101 CO 0.03 -0.17 1.21 -1.25 0.00 0.00 0.00 175.76 175.58 3fhu s PRO 102 N -1.40 3.55 -0.72 0.00 0.04 -1.26 -1.16 135.00 134.04 3fhu s PRO 102 Ca -0.15 1.88 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 3fhu s PRO 102 Cb -0.09 -2.32 0.10 0.00 0.04 0.00 0.00 34.50 32.23 3fhu s PRO 102 CO -0.00 -0.76 0.92 0.34 0.04 0.00 0.00 177.00 177.54 3fhu s ASP 103 N -1.30 6.33 0.00 6.66 -1.08 -0.79 -4.66 116.67 121.82 3fhu s ASP 103 Ca 0.67 -1.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 3fhu s ASP 103 Cb -0.31 -2.37 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 3fhu s ASP 103 CO 0.37 -1.20 0.00 0.41 0.52 0.00 0.00 175.17 175.27 3fhu n THR 104 N 5.61 -1.42 -2.15 1.71 -1.04 -1.26 -4.59 114.28 111.14 3fhu n THR 104 Ca 0.03 0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.93 3fhu n THR 104 Cb 0.46 -2.29 -0.03 0.00 -1.82 0.00 0.00 70.33 66.65 3fhu n THR 104 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fhu s ALA 105 N -0.63 3.61 0.00 2.41 0.00 -1.26 -4.84 121.76 121.05 3fhu s ALA 105 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3fhu s ALA 105 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3fhu s ALA 105 CO 0.00 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3fhu n GLY 106 N 3.45 1.73 0.00 0.00 0.00 -1.26 -5.09 105.19 104.01 3fhu n GLY 106 Ca 0.11 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3fhu n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fhu n GLY 107 N -0.31 -0.99 1.88 -0.02 0.00 -1.26 -4.68 105.19 99.81 3fhu n GLY 107 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3fhu n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fhu n THR 108 N 0.00 -7.16 0.00 2.61 -2.24 -1.26 -5.02 114.28 101.21 3fhu n THR 108 Ca 0.00 1.22 0.00 0.00 -2.27 0.00 0.00 64.05 63.00 3fhu n THR 108 Cb 0.00 -4.70 0.00 0.00 -2.10 0.00 0.00 70.33 63.53 3fhu n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fhu n GLY 109 N 0.73 -0.71 2.70 3.38 0.00 -1.26 -5.02 105.19 105.01 3fhu n GLY 109 Ca -0.15 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 3fhu n GLY 109 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3fhu n PHE 110 N 0.00 -1.28 -2.88 1.61 -0.00 -1.26 -4.78 117.46 108.86 3fhu n PHE 110 Ca 0.00 0.60 -0.42 0.00 -0.00 0.00 0.00 57.45 57.63 3fhu n PHE 110 Cb 0.00 -1.49 -0.04 0.00 -0.00 0.00 0.00 39.48 37.95 3fhu n PHE 110 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3fhu s ASN 111 N -0.81 6.71 0.24 5.98 0.01 -1.26 -4.92 114.94 120.90 3fhu s ASN 111 Ca 0.49 0.73 0.00 0.00 -0.71 0.00 0.00 52.86 53.37 3fhu s ASN 111 Cb -0.59 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 38.63 3fhu s ASN 111 CO 0.49 -0.67 0.00 0.59 -1.51 0.00 0.00 177.10 176.00 3fhu n ASN 112 N 6.34 -0.98 -1.20 -1.22 3.02 -1.26 -4.98 115.26 114.98 3fhu n ASN 112 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3fhu n ASN 112 Cb 0.48 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3fhu n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fhu n GLY 113 N 1.47 1.31 3.50 7.41 0.00 -1.26 -4.72 105.19 112.90 3fhu n GLY 113 Ca 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 3fhu n GLY 113 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3fhu s PHE 114 N 1.62 0.60 0.11 1.61 -0.12 -1.03 -1.89 117.98 118.88 3fhu s PHE 114 Ca 0.00 -0.92 0.06 0.00 -0.05 0.00 0.00 56.93 56.02 3fhu s PHE 114 Cb 0.00 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 3fhu s PHE 114 CO 0.00 -0.95 -0.14 0.95 -0.05 0.00 0.00 175.22 175.03 3fhu s THR 115 N -3.92 1.30 -0.19 -4.49 -4.23 -0.31 -0.55 115.64 103.25 3fhu s THR 115 Ca 0.27 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 3fhu s THR 115 Cb 0.01 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.42 3fhu s THR 115 CO 0.11 -0.38 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.04 3fhu s ILE 116 N -1.99 1.80 -0.12 2.99 1.01 0.58 -1.69 121.20 123.78 3fhu s ILE 116 Ca 0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 3fhu s ILE 116 Cb -0.06 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 3fhu s ILE 116 CO 0.03 0.31 -0.09 -0.89 0.00 0.00 0.00 174.94 174.29 3fhu s THR 117 N 1.35 3.45 -0.09 2.92 2.01 -0.42 -0.34 115.64 124.53 3fhu s THR 117 Ca 0.01 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3fhu s THR 117 Cb -0.15 -2.45 0.02 0.00 0.01 0.00 0.00 72.50 69.92 3fhu s THR 117 CO -0.10 0.54 -0.12 0.28 -0.69 0.00 0.00 174.62 174.53 3fhu s THR 118 N 0.01 1.20 0.37 -0.82 -1.32 -0.26 -0.75 115.64 114.07 3fhu s THR 118 Ca -0.02 -0.47 0.07 0.00 -1.21 0.00 0.00 61.69 60.06 3fhu s THR 118 Cb -0.14 -1.13 -0.00 0.00 -1.51 0.00 0.00 72.50 69.72 3fhu s THR 118 CO 0.03 0.38 0.52 0.20 -2.21 0.00 0.00 174.62 173.55 3fhu s ASN 119 N 1.06 5.85 -1.72 8.08 0.01 -0.43 -1.36 114.94 126.43 3fhu s ASN 119 Ca -0.07 -0.23 -0.19 0.00 -0.71 0.00 0.00 52.86 51.66 3fhu s ASN 119 Cb -0.15 -1.05 0.17 0.00 0.41 0.00 0.00 41.25 40.63 3fhu s ASN 119 CO -0.01 -0.57 0.79 0.29 -1.51 0.00 0.00 177.10 176.08 3fhu n LYS 120 N -1.75 -3.04 -2.65 -0.60 5.02 -0.90 -4.26 118.16 109.98 3fhu n LYS 120 Ca 0.03 0.36 -0.42 0.00 -2.02 0.00 0.00 58.31 56.26 3fhu n LYS 120 Cb 0.58 -5.09 -0.03 0.00 -0.02 0.00 0.00 35.03 30.47 3fhu n LYS 120 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fhu s VAL 121 N -3.28 4.67 0.75 -0.18 1.01 0.08 -3.69 120.40 119.76 3fhu s VAL 121 Ca 0.76 1.93 -0.14 0.00 0.00 0.00 0.00 61.98 64.53 3fhu s VAL 121 Cb -0.41 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 31.78 3fhu s VAL 121 CO 0.93 0.16 1.16 -2.84 0.00 0.00 0.00 175.10 174.51 3fhu s PRO 122 N 0.97 2.13 0.11 2.72 0.02 -1.26 -2.03 135.00 137.65 3fhu s PRO 122 Ca 0.53 1.55 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 3fhu s PRO 122 Cb -0.23 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 3fhu s PRO 122 CO 0.28 -1.80 1.49 0.37 -0.33 0.00 0.00 177.00 177.01 3fhu h GLN 123 N -0.60 -0.40 -0.28 5.54 5.75 -1.91 0.17 115.11 123.38 3fhu h GLN 123 Ca -0.46 0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.11 3fhu h GLN 123 Cb 1.27 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.87 3fhu h GLN 123 CO 0.50 -0.27 0.02 0.77 -2.65 0.00 0.00 178.83 177.20 3fhu h SER 124 N -0.41 -0.06 -0.50 -0.69 0.02 -1.93 -2.37 113.55 107.60 3fhu h SER 124 Ca 0.05 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3fhu h SER 124 Cb 0.56 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 3fhu h SER 124 CO -0.48 0.00 0.27 0.00 -1.14 0.00 0.00 176.83 175.48 3fhu h ALA 125 N 1.23 0.65 -0.36 3.77 0.00 -1.86 -1.73 119.26 120.95 3fhu h ALA 125 Ca 0.13 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3fhu h ALA 125 Cb 0.16 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3fhu h ALA 125 CO -0.21 -0.06 -0.20 0.00 0.00 0.00 0.00 179.25 178.79 3fhu h VAL 127 N -0.14 0.75 -0.15 0.00 2.07 -0.99 -0.61 116.25 117.18 3fhu h VAL 127 Ca 0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.71 3fhu h VAL 127 Cb 0.42 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3fhu h VAL 127 CO -0.44 0.00 0.05 0.28 0.02 0.00 0.00 177.57 177.48 3fhu h SER 128 N -0.30 0.06 -0.13 0.57 0.02 -0.90 -2.16 113.55 110.72 3fhu h SER 128 Ca -0.02 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3fhu h SER 128 Cb 0.25 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3fhu h SER 128 CO 0.02 0.06 -0.04 0.40 -1.14 0.00 0.00 176.83 176.13 3fhu h ILE 129 N 0.12 1.29 -0.06 3.27 2.04 -0.56 -0.86 117.51 122.75 3fhu h ILE 129 Ca 0.06 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3fhu h ILE 129 Cb 0.03 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3fhu h ILE 129 CO -0.06 0.29 0.04 0.77 0.00 0.00 0.00 178.15 179.19 3fhu h SER 130 N -0.06 0.07 -0.23 1.72 4.64 -1.11 0.29 113.55 118.88 3fhu h SER 130 Ca 0.03 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 3fhu h SER 130 Cb 0.47 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3fhu h SER 130 CO 0.01 0.06 -0.21 0.71 -0.87 0.00 0.00 176.83 176.53 3fhu h THR 131 N 0.08 1.27 -0.23 2.95 1.35 -1.45 -1.65 112.91 115.22 3fhu h THR 131 Ca 0.02 -1.29 -0.02 0.00 -0.55 0.00 0.00 66.41 64.57 3fhu h THR 131 Cb -0.00 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 3fhu h THR 131 CO -0.00 0.43 0.07 1.23 -0.25 0.00 0.00 175.52 176.99 3fhu h GLY 132 N 0.98 0.39 1.86 5.82 0.00 -0.82 -0.48 103.07 110.83 3fhu h GLY 132 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3fhu h GLY 132 CO 0.05 0.22 -0.02 -0.33 0.00 0.00 0.00 176.54 176.46 3fhu h MET 133 N 0.21 0.18 -0.48 4.80 2.86 -0.26 0.53 114.93 122.76 3fhu h MET 133 Ca 0.08 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 3fhu h MET 133 Cb 0.24 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3fhu h MET 133 CO -0.00 0.22 -0.12 1.03 1.06 0.00 0.00 176.91 179.09 3fhu h SER 134 N 0.18 0.94 -0.34 1.22 0.87 -0.75 -3.10 113.55 112.57 3fhu h SER 134 Ca 0.04 -0.36 -0.15 0.00 -1.23 0.00 0.00 61.79 60.09 3fhu h SER 134 Cb 0.16 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3fhu h SER 134 CO 0.00 1.09 -0.39 0.03 -0.53 0.00 0.00 176.83 177.03 3fhu h ARG 135 N 0.78 0.86 -1.01 2.24 3.08 0.07 -2.72 114.38 117.68 3fhu h ARG 135 Ca 0.12 -0.47 0.27 0.00 0.07 0.00 0.00 59.98 59.97 3fhu h ARG 135 Cb 0.68 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 3fhu h ARG 135 CO 0.05 1.12 0.69 0.77 -1.07 0.00 0.00 179.97 181.52 3fhu h SER 136 N 0.65 0.25 0.00 7.04 0.02 -0.90 -3.45 113.55 117.16 3fhu h SER 136 Ca 0.05 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3fhu h SER 136 Cb 0.98 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3fhu h SER 136 CO 0.09 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 3fhu n GLY 137 N -1.59 0.42 0.12 -3.77 0.00 -1.03 -4.91 105.19 94.43 3fhu n GLY 137 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3fhu n GLY 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fhu h GLY 138 N 0.00 0.00 -0.98 -0.02 0.00 -1.86 -3.47 103.07 96.73 3fhu h GLY 138 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3fhu h GLY 138 CO 0.00 0.00 0.29 -0.51 0.00 0.00 0.00 176.54 176.32 3fhu s THR 139 N -3.21 2.15 -0.47 4.70 -4.23 -1.26 -4.89 115.64 108.43 3fhu s THR 139 Ca 0.06 -0.19 0.10 0.00 -1.18 0.00 0.00 61.69 60.48 3fhu s THR 139 Cb 0.11 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 71.26 3fhu s THR 139 CO 0.70 0.00 1.22 -1.20 -0.54 0.00 0.00 174.62 174.80 3fhu n SER 140 N -3.14 2.85 0.00 3.99 7.64 0.23 -4.92 113.62 120.26 3fhu n SER 140 Ca 0.10 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.66 3fhu n SER 140 Cb 0.60 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3fhu n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fhu n GLY 141 N -0.13 3.41 2.80 0.23 0.00 -1.22 -4.66 105.19 105.62 3fhu n GLY 141 Ca 0.11 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 3fhu n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fhu s ILE 142 N -1.96 0.28 -0.12 -0.61 1.01 -1.00 -1.29 121.20 117.51 3fhu s ILE 142 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 3fhu s ILE 142 Cb 0.00 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 3fhu s ILE 142 CO 0.00 0.20 -0.09 -0.54 0.00 0.00 0.00 174.94 174.51 3fhu s LYS 143 N 1.43 3.24 -0.26 2.79 1.02 0.58 -0.59 119.74 127.97 3fhu s LYS 143 Ca -0.04 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.37 3fhu s LYS 143 Cb -0.13 -2.68 0.06 0.00 -0.52 0.00 0.00 37.83 34.56 3fhu s LYS 143 CO -0.03 0.37 -0.07 0.42 -0.92 0.00 0.00 175.35 175.12 3fhu s ILE 144 N -0.02 1.92 0.00 2.17 1.01 -0.13 -0.95 121.20 125.20 3fhu s ILE 144 Ca -0.01 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.10 3fhu s ILE 144 Cb -0.14 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3fhu s ILE 144 CO 0.03 -0.12 0.00 0.59 0.00 0.00 0.00 174.94 175.45 3fhu n ASN 145 N 4.51 0.00 -0.88 3.58 5.03 -0.05 -1.02 115.26 126.43 3fhu n ASN 145 Ca -0.12 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.33 3fhu n ASN 145 Cb 0.43 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 39.23 3fhu n ASN 145 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fhu n GLY 146 N 0.00 1.95 3.19 7.41 0.00 -1.26 -4.71 105.19 111.77 3fhu n GLY 146 Ca 0.00 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3fhu n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fhu s ASN 147 N 0.19 5.02 -0.55 1.61 0.01 -0.19 -5.07 114.94 115.96 3fhu s ASN 147 Ca 0.08 -1.34 -0.15 0.00 -0.71 0.00 0.00 52.86 50.74 3fhu s ASN 147 Cb 0.06 -1.76 0.14 0.00 0.41 0.00 0.00 41.25 40.10 3fhu s ASN 147 CO 0.02 -0.31 0.50 0.21 -1.51 0.00 0.00 177.10 176.01 3fhu s ASN 148 N 1.35 6.16 -1.30 -1.22 3.84 -1.26 -0.96 114.94 121.55 3fhu s ASN 148 Ca -0.03 -1.89 -0.17 0.00 0.21 0.00 0.00 52.86 50.98 3fhu s ASN 148 Cb -0.20 -2.18 0.08 0.00 -0.55 0.00 0.00 41.25 38.40 3fhu s ASN 148 CO -0.01 -0.81 1.74 1.41 -2.79 0.00 0.00 177.10 176.64 3fhu n HIS 149 N 5.09 4.62 0.31 0.43 8.25 0.24 -4.80 115.22 129.36 3fhu n HIS 149 Ca -0.11 -2.90 0.21 0.00 -0.26 0.00 0.00 57.72 54.66 3fhu n HIS 149 Cb 0.41 -2.59 1.09 0.00 1.12 0.00 0.00 29.99 30.02 3fhu n HIS 149 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3fhu h THR 150 N 5.37 0.00 -0.00 1.59 1.35 -1.89 0.51 112.91 119.84 3fhu h THR 150 Ca 0.44 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.27 3fhu h THR 150 Cb 0.85 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3fhu h THR 150 CO 1.47 0.00 -0.03 -0.90 -0.25 0.00 0.00 175.52 175.80 3fhu n ASP 151 N -2.95 0.47 -1.67 5.36 5.68 -1.26 -4.46 116.55 117.72 3fhu n ASP 151 Ca -0.03 -0.92 -0.19 0.00 -0.50 0.00 0.00 54.79 53.15 3fhu n ASP 151 Cb 0.08 -0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 39.96 3fhu n ASP 151 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fhu n ALA 152 N -0.75 -0.37 -3.58 2.12 0.00 0.14 -4.91 120.51 113.16 3fhu n ALA 152 Ca 0.19 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.55 3fhu n ALA 152 Cb 0.22 -1.97 -0.14 0.00 0.00 0.00 0.00 19.45 17.56 3fhu n ALA 152 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3fhu s LYS 153 N -4.00 3.26 -0.11 0.00 2.20 -1.26 -4.64 119.74 115.19 3fhu s LYS 153 Ca 0.00 -0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 54.90 3fhu s LYS 153 Cb 0.00 -2.97 0.04 0.00 -1.51 0.00 0.00 37.83 33.38 3fhu s LYS 153 CO 0.00 -0.23 -0.00 0.08 -0.36 0.00 0.00 175.35 174.83 3fhu s VAL 154 N 1.44 0.55 0.43 4.02 1.01 -1.26 -4.94 120.40 121.66 3fhu s VAL 154 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3fhu s VAL 154 Cb -0.14 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 3fhu s VAL 154 CO -0.04 0.15 0.65 0.42 0.00 0.00 0.00 175.10 176.28 3fhu s THR 155 N 1.88 4.07 0.39 3.92 -4.23 -1.26 -4.40 115.64 116.01 3fhu s THR 155 Ca 0.03 -0.54 0.08 0.00 -1.18 0.00 0.00 61.69 60.08 3fhu s THR 155 Cb -0.14 -3.49 0.20 0.00 1.34 0.00 0.00 72.50 70.41 3fhu s THR 155 CO -0.06 -0.33 1.97 0.00 -0.54 0.00 0.00 174.62 175.66 3fhu h ALA 156 N 0.46 1.58 -0.64 3.99 0.00 -1.96 -0.24 119.26 122.46 3fhu h ALA 156 Ca -0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 3fhu h ALA 156 Cb 1.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3fhu h ALA 156 CO 0.57 0.31 0.33 0.93 0.00 0.00 0.00 179.25 181.39 3fhu h GLU 157 N 0.38 0.92 -0.06 0.00 3.07 -2.00 0.11 114.58 117.00 3fhu h GLU 157 Ca 0.09 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 3fhu h GLU 157 Cb 0.19 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3fhu h GLU 157 CO -0.00 0.72 -0.14 0.82 -1.40 0.00 0.00 179.01 179.01 3fhu h ILE 158 N 0.88 1.42 -0.62 3.13 2.04 -1.78 -3.23 117.51 119.36 3fhu h ILE 158 Ca 0.22 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3fhu h ILE 158 Cb 0.09 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 3fhu h ILE 158 CO -0.03 0.41 0.40 0.00 0.00 0.00 0.00 178.15 178.93 3fhu h ALA 159 N 0.47 0.79 -0.30 1.87 0.00 -0.96 -0.66 119.26 120.47 3fhu h ALA 159 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3fhu h ALA 159 Cb 0.73 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3fhu h ALA 159 CO 0.03 0.24 0.20 1.03 0.00 0.00 0.00 179.25 180.74 3fhu h SER 160 N 0.84 0.26 0.07 0.00 0.87 -1.07 0.24 113.55 114.77 3fhu h SER 160 Ca 0.23 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 3fhu h SER 160 Cb -0.08 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3fhu h SER 160 CO -0.05 0.18 -0.56 -1.28 -0.53 0.00 0.00 176.83 174.60 3fhu h SER 161 N 0.31 0.22 0.35 6.23 0.87 -1.45 -3.37 113.55 116.71 3fhu h SER 161 Ca 0.12 -0.93 -0.13 0.00 -1.23 0.00 0.00 61.79 59.62 3fhu h SER 161 Cb 0.10 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3fhu h SER 161 CO -0.03 1.26 -0.55 -0.33 -0.53 0.00 0.00 176.83 176.65 3fhu h GLU 162 N -0.68 0.21 -6.27 2.24 5.08 -0.92 -3.42 114.58 110.82 3fhu h GLU 162 Ca -0.11 -0.13 -0.55 0.00 -1.00 0.00 0.00 59.36 57.56 3fhu h GLU 162 Cb 1.35 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 3fhu h GLU 162 CO 0.05 0.71 0.90 0.00 -1.00 0.00 0.00 179.01 179.67 3fhu s THR 164 N 3.11 4.77 0.63 0.00 -4.23 -1.26 -4.89 115.64 113.77 3fhu s THR 164 Ca 0.62 0.42 -0.18 0.00 -1.18 0.00 0.00 61.69 61.37 3fhu s THR 164 Cb -0.28 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.70 3fhu s THR 164 CO 0.23 -0.93 1.21 0.00 -0.54 0.00 0.00 174.62 174.58 3fhu s ALA 165 N -2.91 2.44 0.73 3.99 0.00 -1.26 -4.22 121.76 120.54 3fhu s ALA 165 Ca 0.50 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 3fhu s ALA 165 Cb -0.11 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3fhu s ALA 165 CO 0.48 -1.34 1.08 -0.51 0.00 0.00 0.00 175.76 175.47 3fhu s ASP 166 N -1.74 4.88 -0.60 0.00 1.01 -1.26 -4.43 116.67 114.53 3fhu s ASP 166 Ca 0.76 1.77 -0.07 0.00 0.71 0.00 0.00 52.55 55.73 3fhu s ASP 166 Cb -0.30 -2.52 0.16 0.00 1.01 0.00 0.00 42.92 41.27 3fhu s ASP 166 CO 0.36 -1.78 0.45 0.20 0.21 0.00 0.00 175.17 174.61 3fhu s ASN 167 N -3.42 5.65 1.70 0.27 0.01 0.14 -4.93 114.94 114.36 3fhu s ASN 167 Ca 0.61 -2.48 0.00 0.00 -0.71 0.00 0.00 52.86 50.28 3fhu s ASN 167 Cb -0.16 -1.96 0.00 0.00 0.41 0.00 0.00 41.25 39.54 3fhu s ASN 167 CO 0.54 -0.51 0.00 0.61 -1.51 0.00 0.00 177.10 176.22 3fhu n GLY 168 N 4.08 3.59 1.10 0.66 0.00 -1.26 -1.06 105.19 112.30 3fhu n GLY 168 Ca 0.04 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3fhu n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fhu n ARG 169 N 12.41 2.40 -4.33 1.61 1.74 -1.26 -4.92 116.66 124.31 3fhu n ARG 169 Ca 0.00 -2.16 -0.34 0.00 -0.77 0.00 0.00 57.85 54.58 3fhu n ARG 169 Cb 0.00 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 29.84 3fhu n ARG 169 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3fhu s THR 170 N -1.29 3.98 0.50 0.55 2.01 -0.22 -5.05 115.64 116.11 3fhu s THR 170 Ca 0.40 -0.32 -0.20 0.00 0.31 0.00 0.00 61.69 61.88 3fhu s THR 170 Cb 0.22 -2.75 -0.08 0.00 0.01 0.00 0.00 72.50 69.89 3fhu s THR 170 CO 0.29 0.48 1.06 -0.83 -0.69 0.00 0.00 174.62 174.94 3fhu s GLY 171 N 0.44 2.55 -0.01 4.40 0.00 -1.24 0.28 107.32 113.74 3fhu s GLY 171 Ca -0.03 0.67 0.01 0.00 0.00 0.00 0.00 44.72 45.37 3fhu s GLY 171 CO 0.03 1.00 0.96 -1.30 0.00 0.00 0.00 173.10 173.79 3fhu n THR 172 N -1.06 0.95 -4.07 0.90 -2.24 -1.17 -4.40 114.28 103.19 3fhu n THR 172 Ca 0.10 -0.97 -0.33 0.00 -2.27 0.00 0.00 64.05 60.58 3fhu n THR 172 Cb 0.52 0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 69.19 3fhu n THR 172 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3fhu s ASN 173 N -1.00 5.76 -0.17 3.42 0.01 -0.86 -4.86 114.94 117.24 3fhu s ASN 173 Ca 0.02 0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 3fhu s ASN 173 Cb 0.01 -1.67 0.01 0.00 0.41 0.00 0.00 41.25 40.01 3fhu s ASN 173 CO 0.00 0.27 -0.18 -0.89 -1.51 0.00 0.00 177.10 174.79 3fhu s THR 174 N -1.22 2.28 0.00 1.60 2.01 -1.26 -0.74 115.64 118.30 3fhu s THR 174 Ca 0.24 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.39 3fhu s THR 174 Cb -0.12 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 3fhu s THR 174 CO 0.15 0.53 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.78 3fhu s LEU 175 N 1.13 3.16 -0.04 4.42 1.43 -0.47 -0.87 118.68 127.43 3fhu s LEU 175 Ca 0.01 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3fhu s LEU 175 Cb -0.14 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3fhu s LEU 175 CO -0.08 0.29 -0.07 -0.69 0.23 0.00 0.00 176.35 176.03 3fhu s VAL 176 N -0.99 0.72 -0.19 -1.59 1.01 -0.12 -1.10 120.40 118.14 3fhu s VAL 176 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3fhu s VAL 176 Cb -0.11 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 3fhu s VAL 176 CO 0.07 0.26 -0.09 -0.36 0.00 0.00 0.00 175.10 174.98 3fhu s PHE 177 N 0.70 2.90 -0.13 5.22 0.08 0.54 -0.30 117.98 126.98 3fhu s PHE 177 Ca -0.11 -1.00 -0.09 0.00 0.12 0.00 0.00 56.93 55.84 3fhu s PHE 177 Cb -0.14 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 3fhu s PHE 177 CO 0.01 -0.52 0.18 1.21 -0.10 0.00 0.00 175.22 176.00 3fhu s ASN 178 N 1.20 6.40 0.09 1.36 2.47 -0.42 -0.31 114.94 125.74 3fhu s ASN 178 Ca 0.02 0.48 0.07 0.00 0.42 0.00 0.00 52.86 53.85 3fhu s ASN 178 Cb -0.14 -2.11 -0.03 0.00 -1.45 0.00 0.00 41.25 37.52 3fhu s ASN 178 CO -0.03 0.32 -0.19 -0.31 -3.72 0.00 0.00 177.10 173.17 3fhu s TYR 179 N -0.58 1.64 0.00 0.43 2.02 0.29 0.76 117.35 121.90 3fhu s TYR 179 Ca 0.15 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3fhu s TYR 179 Cb -0.12 -0.90 0.00 0.00 -0.40 0.00 0.00 41.96 40.53 3fhu s TYR 179 CO 0.04 0.16 0.00 0.09 -1.57 0.00 0.00 175.55 174.27 3fhu n ASN 180 N 1.16 0.00 0.00 2.29 3.02 -1.26 -2.45 115.26 118.02 3fhu n ASN 180 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 3fhu n ASN 180 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 3fhu n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25