#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyp s ASP 2 N 0.00 6.53 -0.07 6.12 1.01 -1.26 -3.82 116.67 125.18 3fyp s ASP 2 Ca 0.00 0.80 0.04 0.00 0.71 0.00 0.00 52.55 54.09 3fyp s ASP 2 Cb 0.00 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.76 3fyp s ASP 2 CO 0.00 -0.12 -0.19 -0.63 0.21 0.00 0.00 175.17 174.44 3fyp s ILE 3 N -1.92 1.64 -0.18 0.77 1.01 0.34 -4.99 121.20 117.88 3fyp s ILE 3 Ca 0.45 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 60.14 3fyp s ILE 3 Cb -0.11 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 3fyp s ILE 3 CO 0.25 0.47 0.39 -0.54 0.00 0.00 0.00 174.94 175.51 3fyp s LYS 4 N 0.28 4.23 -0.35 2.79 -0.14 -1.26 -1.05 119.74 124.23 3fyp s LYS 4 Ca -0.12 0.23 0.02 0.00 -1.36 0.00 0.00 55.97 54.74 3fyp s LYS 4 Cb -0.15 -3.49 0.10 0.00 -1.68 0.00 0.00 37.83 32.61 3fyp s LYS 4 CO 0.05 0.06 0.09 0.42 -0.76 0.00 0.00 175.35 175.22 3fyp s ILE 5 N 0.98 1.76 0.00 2.17 1.01 0.70 -4.98 121.20 122.84 3fyp s ILE 5 Ca 0.20 -2.10 0.00 0.00 0.00 0.00 0.00 60.65 58.75 3fyp s ILE 5 Cb -0.14 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.02 3fyp s ILE 5 CO 0.07 -0.66 0.00 0.59 0.00 0.00 0.00 174.94 174.95 3fyp n ASN 6 N 4.34 0.00 -0.01 3.58 3.02 -1.26 -0.12 115.26 124.81 3fyp n ASN 6 Ca 0.02 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.71 3fyp n ASN 6 Cb 0.41 0.00 0.51 0.00 -0.61 0.00 0.00 39.78 40.09 3fyp n ASN 6 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3fyp n ASP 7 N 5.40 0.21 -4.78 6.41 5.75 -1.26 -4.85 116.55 123.42 3fyp n ASP 7 Ca 0.00 0.13 -0.39 0.00 -0.01 0.00 0.00 54.79 54.52 3fyp n ASP 7 Cb 0.00 -0.21 -0.06 0.00 -1.03 0.00 0.00 41.12 39.82 3fyp n ASP 7 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3fyp s ILE 8 N -2.93 4.80 -0.33 2.12 1.01 0.83 -5.05 121.20 121.65 3fyp s ILE 8 Ca 0.15 1.26 -0.11 0.00 0.00 0.00 0.00 60.65 61.95 3fyp s ILE 8 Cb 0.19 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 3fyp s ILE 8 CO 0.58 0.48 0.20 -0.89 0.00 0.00 0.00 174.94 175.31 3fyp s THR 9 N -0.66 4.96 -0.25 2.92 2.01 -1.26 -0.22 115.64 123.14 3fyp s THR 9 Ca 0.30 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.88 3fyp s THR 9 Cb -0.19 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3fyp s THR 9 CO 0.19 0.00 0.10 -0.22 -0.69 0.00 0.00 174.62 174.00 3fyp s LEU 10 N 1.67 3.60 -0.23 4.42 2.96 -0.22 -4.77 118.68 126.11 3fyp s LEU 10 Ca 0.05 -0.14 -0.34 0.00 -0.22 0.00 0.00 54.13 53.48 3fyp s LEU 10 Cb -0.17 -1.97 0.15 0.00 0.50 0.00 0.00 46.19 44.70 3fyp s LEU 10 CO 0.08 -0.02 1.26 -0.83 -1.32 0.00 0.00 176.35 175.52 3fyp s GLY 11 N 1.55 -0.18 0.17 7.98 0.00 -1.26 -0.50 107.32 115.07 3fyp s GLY 11 Ca 0.06 1.98 0.18 0.00 0.00 0.00 0.00 44.72 46.94 3fyp s GLY 11 CO 0.05 0.73 1.56 0.70 0.00 0.00 0.00 173.10 176.14 3fyp n ASN 12 N 0.14 0.39 -0.61 1.64 3.02 -1.26 -1.13 115.26 117.45 3fyp n ASN 12 Ca 0.00 0.62 0.08 0.00 -0.03 0.00 0.00 54.58 55.25 3fyp n ASN 12 Cb 0.58 -0.69 0.19 0.00 -0.61 0.00 0.00 39.78 39.25 3fyp n ASN 12 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fyp n ASN 13 N -1.96 3.25 -4.60 6.41 3.02 -1.26 -4.20 115.26 115.92 3fyp n ASN 13 Ca 0.02 -2.75 -0.24 0.00 -0.03 0.00 0.00 54.58 51.58 3fyp n ASN 13 Cb 0.15 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.83 3fyp n ASN 13 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3fyp s SER 14 N -1.86 4.35 0.29 6.41 0.01 -0.28 -5.03 113.70 117.59 3fyp s SER 14 Ca 0.33 -0.68 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 3fyp s SER 14 Cb 0.26 -0.74 -0.14 0.00 0.21 0.00 0.00 66.02 65.61 3fyp s SER 14 CO 0.08 0.03 1.13 -2.65 0.41 0.00 0.00 173.24 172.25 3fyp n PRO 15 N -0.61 1.62 -1.91 12.44 -0.02 -1.26 -4.80 135.00 140.46 3fyp n PRO 15 Ca -0.07 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.58 3fyp n PRO 15 Cb 0.58 -2.03 0.01 0.00 -0.02 0.00 0.00 33.50 32.04 3fyp n PRO 15 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3fyp s PHE 16 N -0.93 2.61 -0.15 6.00 -0.12 -1.26 -4.83 117.98 119.30 3fyp s PHE 16 Ca 0.59 1.33 -0.07 0.00 -0.05 0.00 0.00 56.93 58.74 3fyp s PHE 16 Cb -0.67 -3.80 -0.04 0.00 -0.63 0.00 0.00 43.02 37.88 3fyp s PHE 16 CO 0.59 -2.55 0.10 0.08 -0.05 0.00 0.00 175.22 173.39 3fyp s VAL 17 N -1.24 5.16 -0.14 -2.49 1.01 -0.14 -4.29 120.40 118.27 3fyp s VAL 17 Ca 0.60 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.49 3fyp s VAL 17 Cb -0.41 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3fyp s VAL 17 CO 0.52 0.54 0.45 -0.22 0.00 0.00 0.00 175.10 176.40 3fyp s LEU 18 N -0.40 4.25 -0.22 3.92 2.96 -0.61 -1.32 118.68 127.26 3fyp s LEU 18 Ca 0.11 0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 54.72 3fyp s LEU 18 Cb -0.12 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 3fyp s LEU 18 CO 0.02 -0.01 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.63 3fyp s PHE 19 N 0.73 2.96 -0.09 5.38 0.40 -0.21 -0.61 117.98 126.54 3fyp s PHE 19 Ca 0.24 -0.98 -0.30 0.00 -0.60 0.00 0.00 56.93 55.29 3fyp s PHE 19 Cb -0.15 -2.10 0.12 0.00 0.51 0.00 0.00 43.02 41.40 3fyp s PHE 19 CO 0.09 -0.56 0.97 0.20 0.70 0.00 0.00 175.22 176.62 3fyp s GLY 20 N 1.47 -0.37 0.00 4.36 0.00 -0.98 -1.31 107.32 110.49 3fyp s GLY 20 Ca 0.06 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.24 3fyp s GLY 20 CO -0.04 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.29 3fyp n GLY 21 N 0.14 -0.31 3.26 0.20 0.00 -1.24 -1.36 105.19 105.87 3fyp n GLY 21 Ca -0.08 0.57 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 3fyp n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fyp s ILE 22 N 0.00 1.33 0.02 -0.61 -4.36 -0.12 -4.92 121.20 112.54 3fyp s ILE 22 Ca 0.00 -1.89 -0.25 0.00 -0.26 0.00 0.00 60.65 58.25 3fyp s ILE 22 Cb 0.00 -1.69 -0.14 0.00 1.25 0.00 0.00 42.46 41.88 3fyp s ILE 22 CO 0.00 -0.54 1.17 0.00 0.24 0.00 0.00 174.94 175.81 3fyp s VAL 24 N -4.68 1.10 0.11 0.00 -7.23 -1.26 -1.85 120.40 106.59 3fyp s VAL 24 Ca -0.13 -0.62 -0.31 0.00 -1.81 0.00 0.00 61.98 59.10 3fyp s VAL 24 Cb 0.01 -0.92 -0.08 0.00 0.56 0.00 0.00 36.38 35.95 3fyp s VAL 24 CO 0.40 0.29 1.49 -0.76 -0.31 0.00 0.00 175.10 176.21 3fyp s LEU 25 N -0.39 4.36 -0.10 1.32 1.43 0.66 -4.87 118.68 121.10 3fyp s LEU 25 Ca 0.05 2.41 -0.09 0.00 -1.03 0.00 0.00 54.13 55.48 3fyp s LEU 25 Cb -0.06 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 3fyp s LEU 25 CO -0.00 -0.75 -0.19 1.21 0.23 0.00 0.00 176.35 176.84 3fyp n GLU 26 N 4.38 0.30 -3.75 1.70 4.07 -1.26 -1.81 120.64 124.28 3fyp n GLU 26 Ca 0.13 0.13 -0.10 0.00 -0.06 0.00 0.00 57.16 57.26 3fyp n GLU 26 Cb 0.41 -1.02 -0.06 0.00 -0.06 0.00 0.00 31.44 30.71 3fyp n GLU 26 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3fyp s SER 27 N -6.14 -0.08 0.09 4.31 1.04 -1.26 -4.75 113.70 106.91 3fyp s SER 27 Ca -0.18 -0.49 -0.25 0.00 0.48 0.00 0.00 55.95 55.51 3fyp s SER 27 Cb 0.05 0.43 -0.14 0.00 0.10 0.00 0.00 66.02 66.45 3fyp s SER 27 CO 0.25 -0.82 1.71 0.25 0.98 0.00 0.00 173.24 175.61 3fyp h LEU 28 N 2.51 -0.21 -1.25 2.42 5.85 -1.97 -1.16 115.31 121.49 3fyp h LEU 28 Ca -0.34 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3fyp h LEU 28 Cb 1.23 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 3fyp h LEU 28 CO 0.50 -0.14 0.45 0.44 -0.34 0.00 0.00 178.44 179.36 3fyp h ASP 29 N -0.21 0.84 0.07 1.25 3.32 -1.99 -1.15 116.42 118.54 3fyp h ASP 29 Ca -0.01 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3fyp h ASP 29 Cb 0.18 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3fyp h ASP 29 CO -0.00 0.63 -0.03 -1.28 -1.72 0.00 0.00 179.24 176.83 3fyp h SER 30 N 0.98 -0.08 -0.49 6.45 0.87 -1.92 -2.74 113.55 116.62 3fyp h SER 30 Ca 0.26 -0.33 0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3fyp h SER 30 Cb -0.08 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 3fyp h SER 30 CO -0.05 0.29 0.21 0.74 -0.53 0.00 0.00 176.83 177.49 3fyp h THR 31 N -0.46 0.90 -0.30 2.23 2.02 -0.83 -2.38 112.91 114.09 3fyp h THR 31 Ca -0.01 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 3fyp h THR 31 Cb 0.40 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3fyp h THR 31 CO 0.02 0.08 -0.08 -0.07 0.37 0.00 0.00 175.52 175.83 3fyp h LEU 32 N 0.42 0.46 0.22 2.58 3.38 -1.21 0.60 115.31 121.76 3fyp h LEU 32 Ca 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3fyp h LEU 32 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fyp h LEU 32 CO -0.20 0.59 -0.11 -0.61 0.09 0.00 0.00 178.44 178.21 3fyp h GLN 33 N 0.46 -0.29 -0.58 1.13 4.15 -1.13 -0.51 115.11 118.34 3fyp h GLN 33 Ca 0.09 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 3fyp h GLN 33 Cb 0.43 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 3fyp h GLN 33 CO 0.02 0.00 0.26 1.15 -1.93 0.00 0.00 178.83 178.33 3fyp h THR 34 N -0.58 1.22 -0.62 2.39 2.02 -1.22 -2.88 112.91 113.24 3fyp h THR 34 Ca -0.03 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 3fyp h THR 34 Cb 0.42 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3fyp h THR 34 CO 0.05 0.25 0.12 0.00 0.37 0.00 0.00 175.52 176.31 3fyp h ALA 36 N 1.19 1.08 -0.00 0.00 0.00 -1.01 0.77 119.26 121.28 3fyp h ALA 36 Ca 0.19 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fyp h ALA 36 Cb 0.38 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3fyp h ALA 36 CO 0.01 0.63 -0.16 1.25 0.00 0.00 0.00 179.25 180.98 3fyp h HIS 37 N 1.18 -0.41 -0.80 0.00 6.17 -1.24 0.16 115.15 120.22 3fyp h HIS 37 Ca 0.29 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.39 3fyp h HIS 37 Cb 0.10 0.18 -0.04 0.00 2.52 0.00 0.00 27.41 30.17 3fyp h HIS 37 CO 0.01 -0.23 0.52 1.88 0.71 0.00 0.00 177.93 180.82 3fyp h TYR 38 N -0.26 1.02 -0.64 5.26 -1.99 -1.02 -2.32 116.97 117.02 3fyp h TYR 38 Ca 0.05 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 3fyp h TYR 38 Cb 0.33 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 38.69 3fyp h TYR 38 CO -0.21 0.66 0.22 0.28 -0.00 0.00 0.00 178.16 179.10 3fyp h VAL 39 N 1.09 1.25 -0.38 -2.88 2.07 -0.67 -1.22 116.25 115.51 3fyp h VAL 39 Ca 0.29 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 3fyp h VAL 39 Cb -0.10 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3fyp h VAL 39 CO -0.06 0.32 -0.12 -0.08 0.02 0.00 0.00 177.57 177.65 3fyp h GLU 40 N 0.92 0.76 -0.19 1.57 4.22 -0.54 0.20 114.58 121.51 3fyp h GLU 40 Ca 0.21 -0.30 -0.06 0.00 0.08 0.00 0.00 59.36 59.28 3fyp h GLU 40 Cb 0.27 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3fyp h GLU 40 CO -0.01 0.91 -0.12 0.28 -2.18 0.00 0.00 179.01 177.89 3fyp h VAL 41 N 0.56 1.32 -0.45 0.32 2.07 -1.35 -1.69 116.25 117.03 3fyp h VAL 41 Ca 0.09 -1.22 -0.14 0.00 0.82 0.00 0.00 66.70 66.25 3fyp h VAL 41 Cb 0.65 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3fyp h VAL 41 CO 0.04 0.37 -0.28 0.71 0.02 0.00 0.00 177.57 178.43 3fyp h THR 42 N 0.09 1.27 -0.41 2.57 1.35 -1.15 -2.76 112.91 113.87 3fyp h THR 42 Ca 0.04 -1.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.41 3fyp h THR 42 Cb 0.63 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 3fyp h THR 42 CO 0.03 0.49 0.09 0.03 -0.25 0.00 0.00 175.52 175.91 3fyp h ARG 43 N 0.83 0.62 0.00 4.72 3.08 -0.91 0.12 114.38 122.83 3fyp h ARG 43 Ca 0.09 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3fyp h ARG 43 Cb 0.86 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 3fyp h ARG 43 CO 0.08 0.58 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.33 3fyp h LYS 44 N 0.60 0.00 -0.01 0.04 3.64 -1.03 -2.69 116.57 117.12 3fyp h LYS 44 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3fyp h LYS 44 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3fyp h LYS 44 CO -0.00 0.00 -0.21 1.28 -2.27 0.00 0.00 179.45 178.25 3fyp n LEU 45 N -3.10 1.04 -1.62 5.20 4.77 -0.60 -5.00 117.00 117.70 3fyp n LEU 45 Ca 0.00 -0.73 -0.12 0.00 -0.03 0.00 0.00 56.01 55.13 3fyp n LEU 45 Cb 0.28 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3fyp n LEU 45 CO 0.26 0.22 -0.06 0.61 -1.33 0.00 0.00 177.39 177.09 3fyp n GLY 46 N 0.89 -0.05 3.67 -0.72 0.00 0.30 -5.03 105.19 104.26 3fyp n GLY 46 Ca 0.03 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3fyp n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fyp s ILE 47 N -2.77 5.32 0.40 -0.61 1.01 -0.45 -5.02 121.20 119.08 3fyp s ILE 47 Ca 0.10 0.34 -0.27 0.00 0.00 0.00 0.00 60.65 60.82 3fyp s ILE 47 Cb -0.04 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 38.77 3fyp s ILE 47 CO 0.12 0.33 1.39 -2.84 0.00 0.00 0.00 174.94 173.95 3fyp s PRO 48 N 1.02 4.00 -0.01 2.79 0.02 -1.26 -4.50 135.00 137.06 3fyp s PRO 48 Ca 0.11 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.50 3fyp s PRO 48 Cb -0.14 -2.85 0.01 0.00 0.02 0.00 0.00 34.50 31.54 3fyp s PRO 48 CO 0.05 -0.54 -0.03 -0.47 -0.33 0.00 0.00 177.00 175.68 3fyp s TYR 49 N -1.18 0.37 -0.12 6.54 5.04 -1.26 -1.58 117.35 125.16 3fyp s TYR 49 Ca 0.55 -0.06 0.01 0.00 -2.44 0.00 0.00 57.07 55.14 3fyp s TYR 49 Cb -0.42 -0.31 0.02 0.00 0.35 0.00 0.00 41.96 41.60 3fyp s TYR 49 CO 0.56 -0.05 -0.14 0.42 -1.34 0.00 0.00 175.55 174.99 3fyp s ILE 50 N 0.30 1.44 -0.01 3.14 1.01 0.22 -4.40 121.20 122.90 3fyp s ILE 50 Ca -0.03 -0.59 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 3fyp s ILE 50 Cb -0.06 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3fyp s ILE 50 CO -0.01 0.43 0.90 0.12 0.00 0.00 0.00 174.94 176.39 3fyp s PHE 51 N 1.16 3.65 -0.06 3.97 5.36 -0.86 -2.31 117.98 128.89 3fyp s PHE 51 Ca -0.03 1.58 0.04 0.00 -0.96 0.00 0.00 56.93 57.56 3fyp s PHE 51 Cb -0.14 -3.03 -0.02 0.00 -0.34 0.00 0.00 43.02 39.49 3fyp s PHE 51 CO -0.04 0.03 -0.19 0.21 -1.46 0.00 0.00 175.22 173.77 3fyp s LYS 52 N 0.89 2.65 0.01 10.12 2.20 -0.46 -0.88 119.74 134.26 3fyp s LYS 52 Ca 0.48 -0.79 -0.28 0.00 -0.36 0.00 0.00 55.97 55.02 3fyp s LYS 52 Cb -0.20 -2.32 0.09 0.00 -1.51 0.00 0.00 37.83 33.89 3fyp s LYS 52 CO 0.25 0.46 0.81 0.00 -0.36 0.00 0.00 175.35 176.51 3fyp s ALA 53 N -0.33 -1.78 -0.05 3.13 0.00 -1.12 -0.95 121.76 120.67 3fyp s ALA 53 Ca 0.02 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 3fyp s ALA 53 Cb -0.13 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3fyp s ALA 53 CO 0.02 -0.62 0.07 -1.12 0.00 0.00 0.00 175.76 174.11 3fyp s SER 54 N -2.22 5.69 -0.02 0.00 0.01 -0.77 -4.30 113.70 112.08 3fyp s SER 54 Ca 0.01 0.20 0.20 0.00 1.31 0.00 0.00 55.95 57.68 3fyp s SER 54 Cb -0.01 -1.67 -0.28 0.00 0.21 0.00 0.00 66.02 64.28 3fyp s SER 54 CO -0.07 0.32 0.56 2.22 0.41 0.00 0.00 173.24 176.68 3fyp n PHE 55 N 1.58 0.00 -2.92 2.43 1.16 -1.26 -0.24 117.46 118.20 3fyp n PHE 55 Ca -0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.35 3fyp n PHE 55 Cb 0.53 -0.32 -0.01 0.00 -1.61 0.00 0.00 39.48 38.07 3fyp n PHE 55 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3fyp s ASP 56 N -3.87 -0.96 -0.24 5.98 2.15 -1.17 -1.27 116.67 117.29 3fyp s ASP 56 Ca -0.03 -1.82 -0.26 0.00 0.43 0.00 0.00 52.55 50.87 3fyp s ASP 56 Cb 0.13 1.53 0.00 0.00 -0.30 0.00 0.00 42.92 44.28 3fyp s ASP 56 CO 0.82 -0.09 0.92 -0.75 -0.17 0.00 0.00 175.17 175.90 3fyp s LYS 57 N 0.88 4.20 0.00 4.34 2.20 0.97 -4.86 119.74 127.47 3fyp s LYS 57 Ca 0.28 1.10 0.21 0.00 -0.36 0.00 0.00 55.97 57.20 3fyp s LYS 57 Cb -0.00 -3.65 0.18 0.00 -1.51 0.00 0.00 37.83 32.84 3fyp s LYS 57 CO -0.07 -0.58 1.18 0.00 -0.36 0.00 0.00 175.35 175.51 3fyp n ALA 58 N 6.17 2.46 -2.35 3.13 0.00 -1.26 -4.35 120.51 124.31 3fyp n ALA 58 Ca 0.08 -0.68 -0.18 0.00 0.00 0.00 0.00 53.44 52.66 3fyp n ALA 58 Cb 0.47 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 19.23 3fyp n ALA 58 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3fyp n ASN 59 N 1.20 3.85 -4.86 0.00 6.94 -1.26 -5.07 115.26 116.06 3fyp n ASN 59 Ca 0.13 -3.28 -0.29 0.00 -0.02 0.00 0.00 54.58 51.12 3fyp n ASN 59 Cb 0.53 -0.41 0.09 0.00 -2.36 0.00 0.00 39.78 37.63 3fyp n ASN 59 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3fyp s ARG 60 N -3.59 1.91 0.36 -3.83 0.52 -1.26 -4.96 118.95 108.10 3fyp s ARG 60 Ca 0.43 0.02 0.22 0.00 -0.52 0.00 0.00 55.73 55.87 3fyp s ARG 60 Cb 0.39 -1.98 0.22 0.00 0.52 0.00 0.00 34.95 34.11 3fyp s ARG 60 CO -0.03 -1.59 1.45 1.03 0.02 0.00 0.00 175.30 176.18 3fyp h SER 61 N -1.02 0.00 -3.27 0.23 0.87 -1.97 -3.43 113.55 104.96 3fyp h SER 61 Ca -0.46 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 59.64 3fyp h SER 61 Cb 1.32 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.13 3fyp h SER 61 CO 0.63 0.09 -0.74 -0.55 -0.53 0.00 0.00 176.83 175.73 3fyp s SER 62 N -6.07 2.58 0.49 6.23 0.15 -1.26 -5.04 113.70 110.79 3fyp s SER 62 Ca 0.05 -0.99 0.29 0.00 0.70 0.00 0.00 55.95 56.00 3fyp s SER 62 Cb 0.06 -0.14 0.90 0.00 -1.71 0.00 0.00 66.02 65.13 3fyp s SER 62 CO 0.71 -0.15 1.81 0.16 1.20 0.00 0.00 173.24 176.97 3fyp h ILE 63 N 2.69 0.00 -0.17 6.45 3.07 -2.02 -3.05 117.51 124.49 3fyp h ILE 63 Ca -0.39 -0.73 0.00 0.00 1.55 0.00 0.00 64.86 65.30 3fyp h ILE 63 Cb 1.22 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 3fyp h ILE 63 CO 0.60 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.11 3fyp n HIS 64 N -3.07 0.21 -1.66 0.16 8.25 -1.26 -4.95 115.22 112.90 3fyp n HIS 64 Ca 0.02 -0.30 -0.43 0.00 -0.26 0.00 0.00 57.72 56.75 3fyp n HIS 64 Cb 0.41 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 3fyp n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3fyp n SER 65 N 0.36 2.23 -4.74 0.41 7.64 -1.15 -4.88 113.62 113.49 3fyp n SER 65 Ca 0.07 1.19 -0.42 0.00 1.01 0.00 0.00 58.87 60.73 3fyp n SER 65 Cb 0.32 -1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 3fyp n SER 65 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3fyp s TYR 66 N -1.09 2.93 -1.37 1.43 5.04 -1.26 -4.89 117.35 118.14 3fyp s TYR 66 Ca 0.57 0.77 0.24 0.00 -2.44 0.00 0.00 57.07 56.21 3fyp s TYR 66 Cb -0.61 -3.96 0.33 0.00 0.35 0.00 0.00 41.96 38.07 3fyp s TYR 66 CO 0.61 -3.33 1.29 0.54 -1.34 0.00 0.00 175.55 173.32 3fyp n ARG 67 N 2.86 0.42 0.00 4.97 1.74 -1.26 -4.89 116.66 120.50 3fyp n ARG 67 Ca 0.10 -0.29 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 3fyp n ARG 67 Cb 0.38 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3fyp n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fyp n GLY 68 N 1.44 1.37 0.10 -0.13 0.00 -1.26 -0.02 105.19 106.70 3fyp n GLY 68 Ca 0.08 -2.20 0.12 0.00 0.00 0.00 0.00 46.02 44.01 3fyp n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fyp n VAL 69 N -0.48 0.76 0.00 1.61 0.24 -0.75 -4.82 118.33 114.89 3fyp n VAL 69 Ca 0.00 0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3fyp n VAL 69 Cb 0.00 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 3fyp n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fyp n GLY 70 N 0.34 0.42 0.16 7.63 0.00 -0.40 -4.58 105.19 108.76 3fyp n GLY 70 Ca 0.03 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 3fyp n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fyp h LEU 71 N 0.00 -0.28 0.08 0.99 7.12 -1.94 0.29 115.31 121.57 3fyp h LEU 71 Ca 0.00 -0.13 -0.00 0.00 0.13 0.00 0.00 57.88 57.88 3fyp h LEU 71 Cb 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 3fyp h LEU 71 CO 0.00 -0.03 -0.04 -0.08 -0.13 0.00 0.00 178.44 178.16 3fyp h GLU 72 N -0.53 -0.10 -0.17 1.25 4.81 -1.98 -1.55 114.58 116.31 3fyp h GLU 72 Ca -0.03 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 3fyp h GLU 72 Cb 0.39 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3fyp h GLU 72 CO 0.05 0.11 -0.56 1.49 -0.73 0.00 0.00 179.01 179.38 3fyp h GLU 73 N -0.30 0.53 -0.42 1.92 4.57 -1.81 -2.78 114.58 116.29 3fyp h GLU 73 Ca -0.01 -0.34 0.04 0.00 -1.18 0.00 0.00 59.36 57.87 3fyp h GLU 73 Cb 0.26 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.85 3fyp h GLU 73 CO 0.02 0.95 0.19 0.78 -1.18 0.00 0.00 179.01 179.76 3fyp h GLY 74 N 1.09 0.57 1.65 1.92 0.00 -0.72 -0.98 103.07 106.60 3fyp h GLY 74 Ca 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3fyp h GLY 74 CO 0.10 0.08 -0.37 1.41 0.00 0.00 0.00 176.54 177.77 3fyp h LEU 75 N 0.39 0.41 -0.99 3.11 3.38 -1.25 0.34 115.31 120.70 3fyp h LEU 75 Ca 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3fyp h LEU 75 Cb 0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3fyp h LEU 75 CO -0.15 0.74 0.31 0.11 0.09 0.00 0.00 178.44 179.55 3fyp h LYS 76 N 0.33 1.04 -0.40 1.13 1.57 -1.18 0.39 116.57 119.44 3fyp h LYS 76 Ca 0.04 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 3fyp h LYS 76 Cb 0.80 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3fyp h LYS 76 CO 0.06 0.82 -0.23 0.82 -0.57 0.00 0.00 179.45 180.36 3fyp h ILE 77 N 1.02 1.28 -0.56 1.86 2.04 -0.57 -2.12 117.51 120.46 3fyp h ILE 77 Ca 0.24 -1.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.68 3fyp h ILE 77 Cb 0.15 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3fyp h ILE 77 CO -0.03 0.46 0.14 -0.26 0.00 0.00 0.00 178.15 178.47 3fyp h PHE 78 N 0.68 0.93 -0.58 1.37 0.05 -0.54 -0.18 116.94 118.67 3fyp h PHE 78 Ca 0.09 -0.11 0.07 0.00 3.82 0.00 0.00 57.97 61.84 3fyp h PHE 78 Cb 0.79 -0.26 -0.06 0.00 2.00 0.00 0.00 35.95 38.42 3fyp h PHE 78 CO 0.06 0.80 0.26 0.93 -0.18 0.00 0.00 178.31 180.18 3fyp h GLU 79 N 0.79 0.46 -0.24 1.51 5.08 -0.67 -1.70 114.58 119.82 3fyp h GLU 79 Ca 0.18 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3fyp h GLU 79 Cb 0.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3fyp h GLU 79 CO 0.00 0.31 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.81 3fyp h LYS 80 N 0.48 0.48 -0.59 2.33 1.63 -0.73 -1.75 116.57 118.41 3fyp h LYS 80 Ca 0.27 -0.19 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 3fyp h LYS 80 Cb 0.26 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 3fyp h LYS 80 CO -0.23 0.72 0.16 0.28 -3.45 0.00 0.00 179.45 176.92 3fyp h VAL 81 N 0.42 1.25 -0.68 2.00 2.07 -0.59 -1.01 116.25 119.70 3fyp h VAL 81 Ca 0.06 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3fyp h VAL 81 Cb 0.72 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3fyp h VAL 81 CO 0.05 0.33 0.16 0.11 0.02 0.00 0.00 177.57 178.24 3fyp h LYS 82 N 0.85 1.09 -0.01 1.57 1.57 -1.10 -1.61 116.57 118.94 3fyp h LYS 82 Ca 0.19 -0.26 -0.23 0.00 -1.87 0.00 0.00 60.65 58.48 3fyp h LYS 82 Cb 0.33 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3fyp h LYS 82 CO -0.00 0.97 -0.94 0.00 -0.57 0.00 0.00 179.45 178.91 3fyp h ALA 83 N 1.13 0.36 0.09 3.86 0.00 -1.12 0.36 119.26 123.94 3fyp h ALA 83 Ca 0.21 -0.70 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 3fyp h ALA 83 Cb 0.37 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fyp h ALA 83 CO 0.00 0.80 -0.95 1.49 0.00 0.00 0.00 179.25 180.59 3fyp h GLU 84 N 0.25 0.48 0.00 0.00 4.81 -1.04 -3.36 114.58 115.72 3fyp h GLU 84 Ca -0.08 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 3fyp h GLU 84 Cb 1.57 0.21 0.00 0.00 0.63 0.00 0.00 28.75 31.16 3fyp h GLU 84 CO 0.16 1.27 -1.42 1.19 -0.73 0.00 0.00 179.01 179.48 3fyp n PHE 85 N -4.00 0.00 -1.72 0.92 3.01 -0.62 -5.01 117.46 110.04 3fyp n PHE 85 Ca -0.13 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.22 3fyp n PHE 85 Cb 0.85 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 40.04 3fyp n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3fyp n GLY 86 N 1.59 0.66 3.79 1.37 0.00 0.11 -5.03 105.19 107.68 3fyp n GLY 86 Ca -0.01 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 3fyp n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fyp s ILE 87 N -2.49 4.31 0.73 -0.61 -4.36 -1.25 -5.01 121.20 112.51 3fyp s ILE 87 Ca 0.00 -1.36 -0.11 0.00 -0.26 0.00 0.00 60.65 58.91 3fyp s ILE 87 Cb 0.00 -3.28 0.03 0.00 1.25 0.00 0.00 42.46 40.46 3fyp s ILE 87 CO 0.00 -0.27 1.08 -2.84 0.24 0.00 0.00 174.94 173.16 3fyp s PRO 88 N -3.55 2.66 0.14 0.37 0.02 -1.26 -4.55 135.00 128.83 3fyp s PRO 88 Ca 0.32 0.63 0.04 0.00 0.02 0.00 0.00 61.00 62.01 3fyp s PRO 88 Cb -0.08 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3fyp s PRO 88 CO 0.23 -1.22 -0.10 0.14 -0.33 0.00 0.00 177.00 175.73 3fyp s VAL 89 N -3.22 1.15 -0.01 3.83 -7.23 -1.26 -2.02 120.40 111.65 3fyp s VAL 89 Ca 0.59 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3fyp s VAL 89 Cb -0.13 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 35.03 3fyp s VAL 89 CO 0.53 -0.72 -0.01 -0.51 -0.31 0.00 0.00 175.10 174.09 3fyp s ILE 90 N -3.19 0.13 -0.00 -0.62 2.07 -0.06 -1.52 121.20 118.00 3fyp s ILE 90 Ca 0.15 -0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.25 3fyp s ILE 90 Cb 0.02 -0.15 0.02 0.00 0.13 0.00 0.00 42.46 42.47 3fyp s ILE 90 CO 0.01 0.07 0.27 0.28 -1.91 0.00 0.00 174.94 173.65 3fyp s THR 91 N 0.30 0.07 0.32 4.00 -1.32 -0.89 -2.78 115.64 115.34 3fyp s THR 91 Ca -0.03 -0.56 -0.19 0.00 -1.21 0.00 0.00 61.69 59.70 3fyp s THR 91 Cb -0.05 -0.64 -0.09 0.00 -1.51 0.00 0.00 72.50 70.21 3fyp s THR 91 CO -0.01 -0.31 0.82 1.51 -2.21 0.00 0.00 174.62 174.42 3fyp s ASP 92 N -1.47 6.97 0.06 8.08 -4.77 -1.26 -0.55 116.67 123.73 3fyp s ASP 92 Ca -0.12 1.50 0.06 0.00 -3.30 0.00 0.00 52.55 50.69 3fyp s ASP 92 Cb -0.05 -2.46 -0.03 0.00 -1.09 0.00 0.00 42.92 39.30 3fyp s ASP 92 CO 0.02 -0.16 -0.18 0.68 0.70 0.00 0.00 175.17 176.23 3fyp s VAL 93 N -1.86 1.45 0.00 2.11 -7.23 -0.95 -4.78 120.40 109.14 3fyp s VAL 93 Ca 0.53 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 3fyp s VAL 93 Cb -0.13 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.52 3fyp s VAL 93 CO 0.18 0.05 0.18 0.00 -0.31 0.00 0.00 175.10 175.20 3fyp n HIS 94 N 1.65 0.00 -5.07 2.82 1.44 -1.26 -4.40 115.22 110.40 3fyp n HIS 94 Ca -0.18 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.24 3fyp n HIS 94 Cb 0.54 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.49 3fyp n HIS 94 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3fyp s GLU 95 N -0.23 2.01 0.29 -1.40 2.02 -1.26 -5.02 118.70 115.11 3fyp s GLU 95 Ca 0.00 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.26 3fyp s GLU 95 Cb 0.00 -1.81 0.69 0.00 0.10 0.00 0.00 34.13 33.11 3fyp s GLU 95 CO 0.00 0.39 1.77 -1.35 0.02 0.00 0.00 175.26 176.09 3fyp h PRO 96 N 5.91 0.71 0.00 0.39 0.11 -1.91 -0.29 132.00 136.91 3fyp h PRO 96 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3fyp h PRO 96 Cb 1.16 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3fyp h PRO 96 CO 0.47 0.47 0.00 1.58 -0.21 0.00 0.00 178.00 180.32 3fyp n HIS 97 N -4.79 0.88 0.14 0.65 -0.00 -1.26 -2.14 115.22 108.70 3fyp n HIS 97 Ca 0.22 0.32 0.04 0.00 0.46 0.00 0.00 57.72 58.77 3fyp n HIS 97 Cb 0.54 -1.02 0.04 0.00 -0.12 0.00 0.00 29.99 29.43 3fyp n HIS 97 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 3fyp h GLN 98 N 0.00 0.00 0.02 1.57 4.20 -1.47 -3.39 115.11 116.04 3fyp h GLN 98 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fyp h GLN 98 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3fyp h GLN 98 CO 0.00 0.36 -0.04 0.00 -0.67 0.00 0.00 178.83 178.49 3fyp h GLN 100 N -0.08 -0.64 0.00 0.00 -0.00 -1.78 -1.10 115.11 111.51 3fyp h GLN 100 Ca 0.01 0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.64 3fyp h GLN 100 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.70 3fyp h GLN 100 CO -0.02 -0.42 -0.29 -1.00 0.00 0.00 0.00 178.83 177.09 3fyp h PRO 101 N -0.66 0.00 -0.47 -2.39 0.13 -1.81 -2.21 132.00 124.58 3fyp h PRO 101 Ca -0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.95 3fyp h PRO 101 Cb 0.52 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 3fyp h PRO 101 CO 0.09 0.29 -0.17 0.28 -0.23 0.00 0.00 178.00 178.26 3fyp h VAL 102 N 0.00 1.27 0.00 1.56 2.07 -1.31 -2.86 116.25 116.99 3fyp h VAL 102 Ca -0.00 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3fyp h VAL 102 Cb 0.54 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3fyp h VAL 102 CO 0.04 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.08 3fyp n ALA 103 N -2.50 1.77 0.23 1.67 0.00 -0.43 -0.65 120.51 120.59 3fyp n ALA 103 Ca 0.01 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.58 3fyp n ALA 103 Cb 0.42 -1.38 0.54 0.00 0.00 0.00 0.00 19.45 19.03 3fyp n ALA 103 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3fyp h GLU 104 N 0.00 0.00 0.00 0.00 4.39 -1.24 -3.36 114.58 114.37 3fyp h GLU 104 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3fyp h GLU 104 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3fyp h GLU 104 CO 0.00 0.23 -1.22 0.28 -1.16 0.00 0.00 179.01 177.14 3fyp n VAL 105 N -3.80 0.22 -2.85 3.13 0.31 -0.36 -5.02 118.33 109.96 3fyp n VAL 105 Ca -0.02 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 3fyp n VAL 105 Cb 0.33 -1.44 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 3fyp n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fyp h ASP 107 N 7.44 0.65 -3.29 0.00 5.19 -1.82 -3.41 116.42 121.17 3fyp h ASP 107 Ca -0.26 -0.08 -0.67 0.00 -0.62 0.00 0.00 57.03 55.39 3fyp h ASP 107 Cb 1.11 -0.16 -0.32 0.00 0.18 0.00 0.00 39.33 40.13 3fyp h ASP 107 CO 0.87 0.54 -0.86 -0.69 -3.12 0.00 0.00 179.24 175.98 3fyp s VAL 108 N -5.90 2.23 0.01 -1.35 1.01 -0.58 -3.62 120.40 112.20 3fyp s VAL 108 Ca -0.13 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 3fyp s VAL 108 Cb 0.12 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3fyp s VAL 108 CO 0.76 0.55 0.09 0.27 0.00 0.00 0.00 175.10 176.77 3fyp s ILE 109 N 0.54 4.79 -0.11 2.22 -4.36 -0.71 -2.09 121.20 121.48 3fyp s ILE 109 Ca -0.13 -0.43 0.04 0.00 -0.26 0.00 0.00 60.65 59.87 3fyp s ILE 109 Cb -0.17 -3.21 0.00 0.00 1.25 0.00 0.00 42.46 40.33 3fyp s ILE 109 CO 0.04 0.31 -0.24 -1.58 0.24 0.00 0.00 174.94 173.72 3fyp s GLN 110 N -1.87 3.03 -0.43 0.37 0.74 0.29 -0.29 119.66 121.51 3fyp s GLN 110 Ca 0.25 -0.87 -0.23 0.00 0.05 0.00 0.00 55.36 54.55 3fyp s GLN 110 Cb -0.12 -2.31 0.02 0.00 1.10 0.00 0.00 33.01 31.70 3fyp s GLN 110 CO 0.16 0.15 0.79 -1.17 -0.55 0.00 0.00 175.29 174.67 3fyp s LEU 111 N 0.41 4.21 0.62 3.68 2.96 0.20 -2.24 118.68 128.52 3fyp s LEU 111 Ca -0.17 0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.58 3fyp s LEU 111 Cb -0.18 -2.99 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 3fyp s LEU 111 CO 0.07 -0.87 1.21 -2.84 -1.32 0.00 0.00 176.35 172.60 3fyp s PRO 112 N 3.25 2.80 0.23 0.98 0.02 -1.26 -2.59 135.00 138.43 3fyp s PRO 112 Ca 0.30 1.80 -0.06 0.00 0.02 0.00 0.00 61.00 63.06 3fyp s PRO 112 Cb -0.12 -1.91 0.35 0.00 0.02 0.00 0.00 34.50 32.84 3fyp s PRO 112 CO 0.21 -1.33 1.80 0.00 -0.33 0.00 0.00 177.00 177.35 3fyp h ALA 113 N 0.61 1.07 0.00 -1.55 0.00 -1.92 -0.98 119.26 116.50 3fyp h ALA 113 Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3fyp h ALA 113 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3fyp h ALA 113 CO 0.54 0.06 0.00 1.97 0.00 0.00 0.00 179.25 181.82 3fyp n PHE 114 N -4.78 0.32 -0.32 0.00 1.16 -1.26 -1.63 117.46 110.94 3fyp n PHE 114 Ca 0.12 0.13 0.05 0.00 -1.87 0.00 0.00 57.45 55.88 3fyp n PHE 114 Cb 0.25 -0.71 0.12 0.00 -1.61 0.00 0.00 39.48 37.53 3fyp n PHE 114 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3fyp n LEU 115 N -1.80 2.76 0.28 5.98 4.77 -0.39 -4.73 117.00 123.88 3fyp n LEU 115 Ca 0.02 -2.24 0.16 0.00 -0.03 0.00 0.00 56.01 53.92 3fyp n LEU 115 Cb 0.15 -0.23 0.82 0.00 -2.33 0.00 0.00 43.42 41.83 3fyp n LEU 115 CO 0.13 0.66 1.02 0.00 -1.33 0.00 0.00 177.39 177.87 3fyp h ALA 116 N 1.26 1.13 -0.12 -1.18 0.00 -1.09 0.12 119.26 119.37 3fyp h ALA 116 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fyp h ALA 116 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3fyp h ALA 116 CO 0.03 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.91 3fyp n ARG 117 N -3.36 2.16 -2.57 0.00 1.74 -1.26 -4.90 116.66 108.47 3fyp n ARG 117 Ca -0.01 -1.93 -0.41 0.00 -0.77 0.00 0.00 57.85 54.73 3fyp n ARG 117 Cb 0.23 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 3fyp n ARG 117 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fyp s GLN 118 N -1.72 3.24 0.39 5.56 -1.52 0.03 -4.88 119.66 120.76 3fyp s GLN 118 Ca 0.29 -0.19 0.09 0.00 -1.95 0.00 0.00 55.36 53.60 3fyp s GLN 118 Cb 0.19 -4.15 0.87 0.00 -0.22 0.00 0.00 33.01 29.69 3fyp s GLN 118 CO 0.28 -2.06 1.97 1.15 -0.25 0.00 0.00 175.29 176.38 3fyp h THR 119 N 6.05 0.97 -0.31 -0.19 2.02 -1.90 -1.75 112.91 117.79 3fyp h THR 119 Ca -0.28 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 66.55 3fyp h THR 119 Cb 1.05 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3fyp h THR 119 CO 1.26 0.11 -0.40 0.44 0.37 0.00 0.00 175.52 177.30 3fyp h ASP 120 N 0.60 0.81 -0.12 4.18 3.32 -1.96 0.03 116.42 123.27 3fyp h ASP 120 Ca 0.29 -0.37 -0.15 0.00 0.02 0.00 0.00 57.03 56.83 3fyp h ASP 120 Cb 0.37 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.69 3fyp h ASP 120 CO -0.09 1.11 -0.49 0.25 -1.72 0.00 0.00 179.24 178.30 3fyp h LEU 121 N 0.62 0.64 -0.60 1.55 5.85 -1.72 -1.91 115.31 119.74 3fyp h LEU 121 Ca 0.05 -0.62 0.07 0.00 0.84 0.00 0.00 57.88 58.22 3fyp h LEU 121 Cb 0.96 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 3fyp h LEU 121 CO 0.09 1.16 0.28 0.58 -0.34 0.00 0.00 178.44 180.21 3fyp h VAL 122 N 0.17 0.87 -0.51 1.05 2.07 -1.12 0.23 116.25 119.01 3fyp h VAL 122 Ca -0.03 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 3fyp h VAL 122 Cb 1.13 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3fyp h VAL 122 CO 0.10 0.09 -0.18 0.58 0.02 0.00 0.00 177.57 178.19 3fyp h VAL 123 N 0.50 1.27 -0.14 2.57 2.07 -0.95 -0.35 116.25 121.23 3fyp h VAL 123 Ca 0.29 -1.34 -0.14 0.00 0.82 0.00 0.00 66.70 66.33 3fyp h VAL 123 Cb 0.28 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3fyp h VAL 123 CO -0.24 0.47 -0.50 0.00 0.02 0.00 0.00 177.57 177.32 3fyp h ALA 124 N 0.89 0.89 -0.20 1.67 0.00 -0.73 -1.12 119.26 120.66 3fyp h ALA 124 Ca 0.12 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 3fyp h ALA 124 Cb 0.75 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fyp h ALA 124 CO 0.06 0.67 -0.22 0.52 0.00 0.00 0.00 179.25 180.28 3fyp h MET 125 N 0.29 0.50 -0.82 0.00 2.86 -0.45 -3.01 114.93 114.30 3fyp h MET 125 Ca 0.01 -0.27 0.07 0.00 -2.06 0.00 0.00 59.70 57.45 3fyp h MET 125 Cb 0.98 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.59 3fyp h MET 125 CO 0.08 0.86 0.50 0.00 1.06 0.00 0.00 176.91 179.41 3fyp h ALA 126 N 0.64 1.14 0.00 6.32 0.00 -0.64 -2.54 119.26 124.18 3fyp h ALA 126 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fyp h ALA 126 Cb 0.78 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fyp h ALA 126 CO 0.05 0.20 0.00 1.63 0.00 0.00 0.00 179.25 181.13 3fyp n LYS 127 N -4.67 0.19 0.19 0.00 4.76 -0.46 -1.38 118.16 116.78 3fyp n LYS 127 Ca 0.12 0.45 0.04 0.00 -2.87 0.00 0.00 58.31 56.05 3fyp n LYS 127 Cb 0.20 -1.88 0.36 0.00 -1.84 0.00 0.00 35.03 31.87 3fyp n LYS 127 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3fyp h THR 128 N 0.00 1.08 0.00 -0.18 1.35 -1.43 -3.47 112.91 110.26 3fyp h THR 128 Ca 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 3fyp h THR 128 Cb 0.33 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3fyp h THR 128 CO 0.00 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 3fyp n GLY 129 N -0.12 0.85 3.74 5.82 0.00 -0.48 -5.02 105.19 109.99 3fyp n GLY 129 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3fyp n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fyp s ASN 130 N -2.83 3.95 0.30 1.61 -0.87 -1.26 -4.99 114.94 110.85 3fyp s ASN 130 Ca 0.00 1.58 -0.29 0.00 -1.57 0.00 0.00 52.86 52.58 3fyp s ASN 130 Cb 0.00 -2.27 -0.10 0.00 -0.02 0.00 0.00 41.25 38.85 3fyp s ASN 130 CO 0.00 -2.35 1.34 -0.69 -2.57 0.00 0.00 177.10 172.83 3fyp s VAL 131 N -2.95 2.74 -0.06 1.60 1.01 -1.24 -4.80 120.40 116.71 3fyp s VAL 131 Ca 0.62 0.71 0.05 0.00 0.00 0.00 0.00 61.98 63.36 3fyp s VAL 131 Cb -0.17 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 3fyp s VAL 131 CO 0.56 0.15 -0.20 -0.69 0.00 0.00 0.00 175.10 174.92 3fyp s VAL 132 N -0.78 1.68 -0.33 2.92 1.01 -0.17 -1.74 120.40 122.98 3fyp s VAL 132 Ca 0.52 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 3fyp s VAL 132 Cb -0.40 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.55 3fyp s VAL 132 CO 0.50 0.47 0.16 0.21 0.00 0.00 0.00 175.10 176.44 3fyp s ASN 133 N 0.08 5.55 -0.46 3.32 2.47 0.60 -0.18 114.94 126.32 3fyp s ASN 133 Ca -0.07 -0.73 -0.20 0.00 0.42 0.00 0.00 52.86 52.28 3fyp s ASN 133 Cb -0.13 -1.99 0.03 0.00 -1.45 0.00 0.00 41.25 37.71 3fyp s ASN 133 CO 0.04 -0.26 0.63 -0.63 -3.72 0.00 0.00 177.10 173.15 3fyp s ILE 134 N 1.57 4.85 -0.11 -5.21 1.01 0.59 -0.63 121.20 123.28 3fyp s ILE 134 Ca 0.03 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 3fyp s ILE 134 Cb -0.18 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 3fyp s ILE 134 CO 0.06 -0.65 1.00 -0.54 0.00 0.00 0.00 174.94 174.81 3fyp s LYS 135 N 2.74 4.41 -0.21 2.79 1.02 -1.07 -0.76 119.74 128.67 3fyp s LYS 135 Ca 0.20 1.37 -0.27 0.00 0.02 0.00 0.00 55.97 57.29 3fyp s LYS 135 Cb -0.16 -3.54 -0.00 0.00 -0.52 0.00 0.00 37.83 33.61 3fyp s LYS 135 CO 0.17 -0.32 0.92 0.21 -0.92 0.00 0.00 175.35 175.41 3fyp s LYS 136 N 2.03 4.26 0.69 1.68 2.20 -0.49 -4.10 119.74 126.01 3fyp s LYS 136 Ca 0.48 1.15 -0.15 0.00 -0.36 0.00 0.00 55.97 57.09 3fyp s LYS 136 Cb -0.18 -3.62 0.02 0.00 -1.51 0.00 0.00 37.83 32.54 3fyp s LYS 136 CO 0.17 -0.50 1.15 -2.14 -0.36 0.00 0.00 175.35 173.67 3fyp s PRO 137 N 2.76 2.51 0.22 4.03 0.02 -1.26 -4.38 135.00 138.89 3fyp s PRO 137 Ca 0.40 1.55 0.24 0.00 0.02 0.00 0.00 61.00 63.20 3fyp s PRO 137 Cb -0.16 -1.90 0.92 0.00 0.02 0.00 0.00 34.50 33.38 3fyp s PRO 137 CO 0.09 -1.51 1.72 0.00 -0.33 0.00 0.00 177.00 176.97 3fyp n GLN 138 N -2.55 0.19 -0.07 5.54 10.64 -1.26 -2.09 117.38 127.78 3fyp n GLN 138 Ca 0.12 0.35 0.12 0.00 -1.83 0.00 0.00 57.00 55.75 3fyp n GLN 138 Cb 0.51 -1.82 0.23 0.00 -0.86 0.00 0.00 30.24 28.30 3fyp n GLN 138 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 3fyp n PHE 139 N -2.17 0.19 -4.15 2.61 1.16 -1.26 -1.24 117.46 112.60 3fyp n PHE 139 Ca 0.03 -0.09 -0.34 0.00 -1.87 0.00 0.00 57.45 55.17 3fyp n PHE 139 Cb 0.28 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.03 3fyp n PHE 139 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3fyp s LEU 140 N -1.78 3.45 0.56 5.98 2.96 -0.89 -5.03 118.68 123.94 3fyp s LEU 140 Ca 0.33 -0.08 -0.19 0.00 -0.22 0.00 0.00 54.13 53.98 3fyp s LEU 140 Cb 0.21 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 3fyp s LEU 140 CO 0.31 0.13 1.12 -0.94 -1.32 0.00 0.00 176.35 175.65 3fyp s SER 141 N 0.60 5.63 0.53 3.68 1.04 -1.26 -4.83 113.70 119.09 3fyp s SER 141 Ca 0.00 2.12 0.26 0.00 0.48 0.00 0.00 55.95 58.82 3fyp s SER 141 Cb -0.14 -2.57 1.47 0.00 0.10 0.00 0.00 66.02 64.88 3fyp s SER 141 CO 0.02 -1.28 2.10 1.55 0.98 0.00 0.00 173.24 176.61 3fyp h PRO 142 N 0.97 0.00 0.00 4.02 0.13 -1.97 -0.17 132.00 134.97 3fyp h PRO 142 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3fyp h PRO 142 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3fyp h PRO 142 CO 0.56 0.10 0.00 -1.13 -0.23 0.00 0.00 178.00 177.31 3fyp n SER 143 N -3.76 0.00 0.02 1.44 3.41 -1.26 -2.55 113.62 110.92 3fyp n SER 143 Ca -0.02 -0.57 0.11 0.00 -0.26 0.00 0.00 58.87 58.14 3fyp n SER 143 Cb 0.21 -0.13 0.11 0.00 -0.26 0.00 0.00 64.21 64.14 3fyp n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fyp n GLN 144 N -1.13 0.18 0.25 4.33 1.13 -0.08 -4.17 117.38 117.90 3fyp n GLN 144 Ca 0.18 0.02 0.10 0.00 -1.94 0.00 0.00 57.00 55.36 3fyp n GLN 144 Cb 0.16 -1.58 0.65 0.00 0.11 0.00 0.00 30.24 29.58 3fyp n GLN 144 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 3fyp h MET 145 N 0.00 0.00 -0.01 -1.09 2.86 -1.56 -1.97 114.93 113.17 3fyp h MET 145 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fyp h MET 145 Cb 0.65 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 3fyp h MET 145 CO 0.00 0.15 0.00 1.57 1.06 0.00 0.00 176.91 179.69 3fyp h LYS 146 N 0.00 0.00 -0.34 1.72 2.10 -1.79 -1.64 116.57 116.63 3fyp h LYS 146 Ca -0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 3fyp h LYS 146 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 3fyp h LYS 146 CO 0.02 0.00 -0.37 -0.91 -2.00 0.00 0.00 179.45 176.19 3fyp h ASN 147 N 0.00 0.84 -0.22 7.07 2.35 -1.63 -0.94 115.58 123.04 3fyp h ASN 147 Ca 0.00 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 3fyp h ASN 147 Cb 0.01 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3fyp h ASN 147 CO -0.00 1.12 -0.08 0.40 -1.65 0.00 0.00 177.43 177.22 3fyp h ILE 148 N 0.66 1.29 -1.00 2.81 2.04 -1.47 -2.61 117.51 119.24 3fyp h ILE 148 Ca 0.06 -1.11 0.09 0.00 1.00 0.00 0.00 64.86 64.90 3fyp h ILE 148 Cb 0.93 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 3fyp h ILE 148 CO 0.09 0.34 0.63 0.58 0.00 0.00 0.00 178.15 179.79 3fyp h VAL 149 N 0.16 1.01 -0.57 1.67 2.07 -1.15 -1.23 116.25 118.22 3fyp h VAL 149 Ca 0.05 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 3fyp h VAL 149 Cb 0.55 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3fyp h VAL 149 CO 0.03 0.20 0.04 -0.08 0.02 0.00 0.00 177.57 177.77 3fyp h GLU 150 N 1.09 0.95 -0.51 1.57 4.22 -1.07 0.12 114.58 120.95 3fyp h GLU 150 Ca 0.46 -0.26 -0.09 0.00 0.08 0.00 0.00 59.36 59.55 3fyp h GLU 150 Cb 0.30 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3fyp h GLU 150 CO -0.21 0.91 -0.02 0.87 -2.18 0.00 0.00 179.01 178.38 3fyp h LYS 151 N 0.88 0.91 -0.73 1.92 1.57 -0.87 0.43 116.57 120.68 3fyp h LYS 151 Ca 0.17 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3fyp h LYS 151 Cb 0.47 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3fyp h LYS 151 CO 0.02 0.94 0.33 0.74 -0.57 0.00 0.00 179.45 180.91 3fyp h PHE 152 N 0.77 1.08 -0.53 -1.35 -1.00 -0.72 -2.07 116.94 113.11 3fyp h PHE 152 Ca 0.14 -0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 3fyp h PHE 152 Cb 0.54 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 3fyp h PHE 152 CO 0.04 0.81 0.14 0.45 -1.61 0.00 0.00 178.31 178.14 3fyp h HIS 153 N 1.03 0.88 -0.22 -0.55 3.86 -0.36 -1.09 115.15 118.70 3fyp h HIS 153 Ca 0.25 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3fyp h HIS 153 Cb 0.16 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3fyp h HIS 153 CO 0.01 0.77 0.15 0.93 0.86 0.00 0.00 177.93 180.65 3fyp h GLU 154 N 0.74 0.28 -0.01 2.45 5.08 -0.69 -1.51 114.58 120.93 3fyp h GLU 154 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3fyp h GLU 154 Cb 0.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3fyp h GLU 154 CO 0.00 0.19 -0.18 0.00 -1.00 0.00 0.00 179.01 178.02 3fyp n ALA 155 N -2.51 2.93 0.00 3.43 0.00 -0.51 -4.95 120.51 118.90 3fyp n ALA 155 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3fyp n ALA 155 Cb 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3fyp n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fyp n GLY 156 N 1.29 1.14 2.89 0.00 0.00 -0.57 -4.49 105.19 105.46 3fyp n GLY 156 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3fyp n GLY 156 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fyp s ASN 157 N -2.00 1.84 -0.01 1.61 3.84 -0.82 -4.99 114.94 114.41 3fyp s ASN 157 Ca 0.00 -0.23 0.04 0.00 0.21 0.00 0.00 52.86 52.88 3fyp s ASN 157 Cb 0.00 -0.70 0.10 0.00 -0.55 0.00 0.00 41.25 40.09 3fyp s ASN 157 CO 0.00 -0.11 1.07 0.61 -2.79 0.00 0.00 177.10 175.89 3fyp n GLY 158 N 4.72 3.10 2.99 1.21 0.00 -1.26 -3.35 105.19 112.59 3fyp n GLY 158 Ca -0.14 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3fyp n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fyp n LYS 159 N -0.34 3.39 -5.27 1.61 5.02 -1.26 -4.94 118.16 116.37 3fyp n LYS 159 Ca 0.04 -3.37 -0.31 0.00 -2.02 0.00 0.00 58.31 52.65 3fyp n LYS 159 Cb 0.33 -3.06 -0.16 0.00 -0.02 0.00 0.00 35.03 32.12 3fyp n LYS 159 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fyp s LEU 160 N 0.94 2.11 -0.06 -0.35 1.43 -1.26 -1.00 118.68 120.48 3fyp s LEU 160 Ca 0.43 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 3fyp s LEU 160 Cb 0.08 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 3fyp s LEU 160 CO -0.01 0.31 -0.16 -0.63 0.23 0.00 0.00 176.35 176.09 3fyp s ILE 161 N -0.54 2.94 -0.18 -0.59 1.01 0.75 -4.12 121.20 120.46 3fyp s ILE 161 Ca 0.08 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 3fyp s ILE 161 Cb -0.11 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3fyp s ILE 161 CO -0.00 0.58 0.02 -0.76 0.00 0.00 0.00 174.94 174.78 3fyp s LEU 162 N -0.59 3.51 -0.29 2.97 1.43 0.05 -0.30 118.68 125.46 3fyp s LEU 162 Ca 0.09 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 3fyp s LEU 162 Cb -0.11 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.30 3fyp s LEU 162 CO 0.01 0.14 -0.05 0.00 0.23 0.00 0.00 176.35 176.68 3fyp s GLU 164 N 1.06 4.29 0.00 0.00 2.56 -0.27 -1.40 118.70 124.95 3fyp s GLU 164 Ca -0.01 2.26 0.00 0.00 0.00 0.00 0.00 54.97 57.21 3fyp s GLU 164 Cb -0.20 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 32.82 3fyp s GLU 164 CO -0.07 -0.37 0.36 0.54 -0.56 0.00 0.00 175.26 175.16 3fyp n ARG 165 N 2.23 0.15 0.00 4.30 1.74 -1.26 -0.70 116.66 123.11 3fyp n ARG 165 Ca 0.06 -0.42 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 3fyp n ARG 165 Cb 0.41 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 3fyp n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fyp n GLY 166 N -0.06 0.25 2.95 -0.13 0.00 -1.26 -3.48 105.19 103.45 3fyp n GLY 166 Ca 0.00 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 3fyp n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fyp s SER 167 N -1.00 0.60 0.10 1.61 0.01 0.18 -4.15 113.70 111.05 3fyp s SER 167 Ca 0.00 -0.09 -0.35 0.00 1.31 0.00 0.00 55.95 56.82 3fyp s SER 167 Cb 0.00 -0.08 -0.15 0.00 0.21 0.00 0.00 66.02 66.00 3fyp s SER 167 CO 0.00 0.05 1.51 -1.20 0.41 0.00 0.00 173.24 174.01 3fyp n SER 168 N 3.02 2.50 -3.63 2.44 7.64 -0.37 -1.21 113.62 124.02 3fyp n SER 168 Ca -0.14 1.09 -0.29 0.00 1.01 0.00 0.00 58.87 60.54 3fyp n SER 168 Cb 0.58 -1.32 -0.13 0.00 -1.01 0.00 0.00 64.21 62.33 3fyp n SER 168 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3fyp s PHE 169 N 1.05 1.41 0.00 1.43 5.36 -0.54 -4.83 117.98 121.86 3fyp s PHE 169 Ca 0.83 -1.92 0.00 0.00 -0.96 0.00 0.00 56.93 54.87 3fyp s PHE 169 Cb -0.81 -1.48 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 3fyp s PHE 169 CO 0.43 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.79 3fyp n GLY 170 N 4.08 2.80 3.76 13.12 0.00 -1.26 -4.07 105.19 123.62 3fyp n GLY 170 Ca 0.06 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 3fyp n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fyp s TYR 171 N 0.00 3.59 0.00 1.61 2.02 -1.26 -4.64 117.35 118.67 3fyp s TYR 171 Ca 0.00 0.95 0.00 0.00 -0.37 0.00 0.00 57.07 57.65 3fyp s TYR 171 Cb 0.00 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.07 3fyp s TYR 171 CO 0.00 0.31 0.00 -0.25 -1.57 0.00 0.00 175.55 174.04 3fyp n ASP 172 N 3.08 0.00 -4.77 2.29 8.00 -1.26 -4.91 116.55 118.98 3fyp n ASP 172 Ca -0.09 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.03 3fyp n ASP 172 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3fyp n ASP 172 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3fyp s ASN 173 N 0.00 6.03 0.00 -2.24 0.02 -1.26 -4.91 114.94 112.58 3fyp s ASN 173 Ca 0.00 2.45 0.06 0.00 -1.02 0.00 0.00 52.86 54.35 3fyp s ASN 173 Cb 0.00 -2.61 -0.03 0.00 0.02 0.00 0.00 41.25 38.63 3fyp s ASN 173 CO 0.00 -1.03 -0.19 -0.76 0.02 0.00 0.00 177.10 175.14 3fyp s LEU 174 N -3.02 2.50 -0.00 0.60 1.43 -1.26 -1.46 118.68 117.47 3fyp s LEU 174 Ca 0.64 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 3fyp s LEU 174 Cb -0.32 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3fyp s LEU 174 CO 0.39 0.30 -0.20 -0.69 0.23 0.00 0.00 176.35 176.38 3fyp s VAL 175 N -0.80 1.57 -0.34 -1.59 1.01 -0.35 -4.89 120.40 115.02 3fyp s VAL 175 Ca 0.13 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 3fyp s VAL 175 Cb -0.10 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3fyp s VAL 175 CO 0.02 0.39 0.33 -0.69 0.00 0.00 0.00 175.10 175.16 3fyp s VAL 176 N -0.53 5.20 -0.37 2.92 1.01 -1.26 -0.65 120.40 126.72 3fyp s VAL 176 Ca 0.07 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.81 3fyp s VAL 176 Cb -0.08 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3fyp s VAL 176 CO -0.00 -0.05 1.05 -0.62 0.00 0.00 0.00 175.10 175.48 3fyp s ASP 177 N 1.73 6.79 0.48 3.32 2.15 -1.26 -4.89 116.67 124.99 3fyp s ASP 177 Ca 0.11 0.79 0.30 0.00 0.43 0.00 0.00 52.55 54.18 3fyp s ASP 177 Cb -0.17 -2.52 1.16 0.00 -0.30 0.00 0.00 42.92 41.09 3fyp s ASP 177 CO 0.11 -0.96 1.89 0.24 -0.17 0.00 0.00 175.17 176.28 3fyp h MET 178 N 8.46 0.00 0.00 4.34 2.86 -1.98 -0.59 114.93 128.02 3fyp h MET 178 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3fyp h MET 178 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3fyp h MET 178 CO 1.04 0.00 -0.12 -0.07 1.06 0.00 0.00 176.91 178.82 3fyp h LEU 179 N 0.00 0.00 -1.53 1.22 3.38 -2.02 -3.33 115.31 113.03 3fyp h LEU 179 Ca 0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3fyp h LEU 179 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3fyp h LEU 179 CO 0.00 0.00 -0.11 1.23 0.09 0.00 0.00 178.44 179.65 3fyp h GLY 180 N 4.05 0.18 0.83 0.83 0.00 -1.50 -2.78 103.07 104.68 3fyp h GLY 180 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.25 3fyp h GLY 180 CO 0.00 0.09 0.07 0.74 0.00 0.00 0.00 176.54 177.44 3fyp h PHE 181 N 0.16 0.12 -0.73 5.60 -1.00 -1.70 -0.35 116.94 119.04 3fyp h PHE 181 Ca 0.03 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.78 3fyp h PHE 181 Cb 0.30 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 3fyp h PHE 181 CO 0.00 0.06 0.27 0.78 -1.61 0.00 0.00 178.31 177.81 3fyp h GLY 182 N 0.17 1.18 1.02 -1.45 0.00 -1.74 -0.88 103.07 101.37 3fyp h GLY 182 Ca 0.09 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3fyp h GLY 182 CO -0.09 0.62 0.16 -2.08 0.00 0.00 0.00 176.54 175.14 3fyp h VAL 183 N 1.07 1.25 -0.31 4.60 2.07 -1.18 0.45 116.25 124.19 3fyp h VAL 183 Ca 0.24 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3fyp h VAL 183 Cb 0.24 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3fyp h VAL 183 CO -0.02 0.34 0.07 0.24 0.02 0.00 0.00 177.57 178.22 3fyp h MET 184 N 0.90 0.51 0.03 1.57 2.86 -0.57 -1.85 114.93 118.37 3fyp h MET 184 Ca 0.20 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3fyp h MET 184 Cb 0.34 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3fyp h MET 184 CO -0.00 0.58 -0.20 0.87 1.06 0.00 0.00 176.91 179.22 3fyp h LYS 185 N 0.34 -0.33 -0.89 1.72 1.57 -0.82 -0.56 116.57 117.62 3fyp h LYS 185 Ca 0.10 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3fyp h LYS 185 Cb 0.31 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 3fyp h LYS 185 CO 0.00 -0.22 0.59 1.96 -0.57 0.00 0.00 179.45 181.21 3fyp h GLN 186 N -0.34 1.09 0.00 3.15 1.08 -0.78 -0.91 115.11 118.41 3fyp h GLN 186 Ca 0.05 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3fyp h GLN 186 Cb 0.40 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3fyp h GLN 186 CO -0.16 0.72 -1.24 0.25 -0.95 0.00 0.00 178.83 177.45 3fyp n THR 187 N -4.44 0.10 -1.21 -0.54 -2.24 -0.71 -4.33 114.28 100.92 3fyp n THR 187 Ca 0.12 -0.26 0.09 0.00 -2.27 0.00 0.00 64.05 61.73 3fyp n THR 187 Cb 0.09 0.32 0.16 0.00 -2.10 0.00 0.00 70.33 68.81 3fyp n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyp n GLY 189 N -1.33 0.01 3.49 0.00 0.00 -1.17 -3.28 105.19 102.91 3fyp n GLY 189 Ca 0.17 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 3fyp n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fyp n ASN 190 N -0.07 -4.84 -4.72 1.61 5.15 -0.35 -4.06 115.26 107.98 3fyp n ASN 190 Ca -0.09 -0.51 -0.36 0.00 -0.60 0.00 0.00 54.58 53.02 3fyp n ASN 190 Cb 0.58 -3.91 0.09 0.00 -0.53 0.00 0.00 39.78 36.01 3fyp n ASN 190 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3fyp s LEU 191 N -6.86 3.41 0.20 1.20 1.43 -1.21 0.11 118.68 116.96 3fyp s LEU 191 Ca 0.48 2.52 -0.33 0.00 -1.03 0.00 0.00 54.13 55.78 3fyp s LEU 191 Cb -0.24 -4.61 -0.13 0.00 0.03 0.00 0.00 46.19 41.24 3fyp s LEU 191 CO 0.59 -2.25 1.62 -2.65 0.23 0.00 0.00 176.35 173.90 3fyp n PRO 192 N -2.42 2.43 -4.98 1.29 -0.02 -1.25 -4.85 135.00 125.19 3fyp n PRO 192 Ca 0.15 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 62.18 3fyp n PRO 192 Cb 0.49 -2.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 3fyp n PRO 192 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fyp s VAL 193 N 0.84 2.39 0.28 -1.45 1.01 -1.26 -0.77 120.40 121.44 3fyp s VAL 193 Ca 0.75 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.94 3fyp s VAL 193 Cb -0.59 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 3fyp s VAL 193 CO 0.38 0.54 -0.16 0.27 0.00 0.00 0.00 175.10 176.13 3fyp s ILE 194 N 0.43 2.24 -0.24 2.22 -4.36 0.04 -0.85 121.20 120.69 3fyp s ILE 194 Ca -0.14 -2.31 0.02 0.00 -0.26 0.00 0.00 60.65 57.96 3fyp s ILE 194 Cb -0.17 -2.34 0.05 0.00 1.25 0.00 0.00 42.46 41.25 3fyp s ILE 194 CO 0.06 -0.38 -0.12 0.12 0.24 0.00 0.00 174.94 174.86 3fyp s PHE 195 N -2.65 3.03 -0.94 1.37 5.36 -0.73 -1.11 117.98 122.31 3fyp s PHE 195 Ca 0.29 -2.08 -0.20 0.00 -0.96 0.00 0.00 56.93 53.99 3fyp s PHE 195 Cb -0.02 -1.88 0.11 0.00 -0.34 0.00 0.00 43.02 40.90 3fyp s PHE 195 CO 0.14 -0.85 1.18 0.34 -1.46 0.00 0.00 175.22 174.57 3fyp s ASP 196 N 1.19 6.59 0.23 6.13 -1.08 0.12 0.04 116.67 129.88 3fyp s ASP 196 Ca -0.05 -1.91 0.01 0.00 -0.52 0.00 0.00 52.55 50.09 3fyp s ASP 196 Cb -0.18 -2.43 0.23 0.00 -1.46 0.00 0.00 42.92 39.08 3fyp s ASP 196 CO -0.07 -1.15 1.57 0.58 0.52 0.00 0.00 175.17 176.62 3fyp h VAL 197 N 6.01 1.34 -0.19 1.11 2.07 -1.70 -3.21 116.25 121.67 3fyp h VAL 197 Ca 0.15 -1.77 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 3fyp h VAL 197 Cb 1.02 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3fyp h VAL 197 CO 1.17 0.54 -0.00 0.74 0.02 0.00 0.00 177.57 180.03 3fyp h THR 198 N 0.31 1.25 -0.55 2.57 2.02 -1.89 -2.70 112.91 113.92 3fyp h THR 198 Ca 0.01 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.25 3fyp h THR 198 Cb 1.02 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3fyp h THR 198 CO 0.09 0.26 0.06 -0.74 0.37 0.00 0.00 175.52 175.56 3fyp h HIS 199 N 0.10 0.96 0.00 3.16 6.17 -1.88 -2.78 115.15 120.87 3fyp h HIS 199 Ca 0.05 -0.13 0.00 0.00 0.71 0.00 0.00 60.37 61.01 3fyp h HIS 199 Cb 0.39 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.06 3fyp h HIS 199 CO 0.03 0.84 0.13 0.43 0.71 0.00 0.00 177.93 180.07 3fyp n SER 200 N -4.22 0.47 0.00 3.26 7.64 -1.02 -2.98 113.62 116.77 3fyp n SER 200 Ca 0.03 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.59 3fyp n SER 200 Cb 0.29 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3fyp n SER 200 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fyp n LEU 201 N -2.18 1.86 -4.49 -3.43 4.77 -1.05 -4.69 117.00 107.79 3fyp n LEU 201 Ca -0.01 0.01 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 3fyp n LEU 201 Cb 0.16 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3fyp n LEU 201 CO 0.08 0.00 1.89 1.67 -1.33 0.00 0.00 177.39 179.70 3fyp n GLN 202 N -0.32 1.11 0.00 3.23 -0.06 -1.16 -4.35 117.38 115.83 3fyp n GLN 202 Ca 0.00 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.25 3fyp n GLN 202 Cb 0.00 -2.68 0.00 0.00 -4.06 0.00 0.00 30.24 23.50 3fyp n GLN 202 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3fyp n GLY 212 N 6.33 0.08 7.00 1.69 0.00 -1.26 -4.31 105.19 114.71 3fyp n GLY 212 Ca 0.41 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3fyp n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyp n GLY 213 N 0.00 0.35 0.19 -0.02 0.00 -1.26 -3.13 105.19 101.33 3fyp n GLY 213 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.12 3fyp n GLY 213 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fyp h ARG 214 N 0.00 0.00 -0.21 1.61 2.47 -2.05 -3.01 114.38 113.19 3fyp h ARG 214 Ca 0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 3fyp h ARG 214 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3fyp h ARG 214 CO 0.00 0.34 -0.23 0.00 0.56 0.00 0.00 179.97 180.64 3fyp h ARG 215 N 0.00 0.53 -0.47 0.04 2.47 -1.99 -0.43 114.38 114.53 3fyp h ARG 215 Ca -0.00 -0.29 -0.07 0.00 -1.26 0.00 0.00 59.98 58.36 3fyp h ARG 215 Cb 0.62 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 3fyp h ARG 215 CO 0.04 0.88 0.01 0.00 0.56 0.00 0.00 179.97 181.47 3fyp h ALA 216 N 0.64 1.15 0.03 0.04 0.00 -1.47 -1.94 119.26 117.71 3fyp h ALA 216 Ca 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3fyp h ALA 216 Cb 0.79 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3fyp h ALA 216 CO 0.06 0.55 -0.01 1.96 0.00 0.00 0.00 179.25 181.80 3fyp h GLN 217 N 0.71 -0.04 -0.63 0.00 4.20 -1.37 -2.41 115.11 115.58 3fyp h GLN 217 Ca 0.14 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.94 3fyp h GLN 217 Cb 0.42 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 3fyp h GLN 217 CO 0.02 0.33 0.42 0.00 -0.67 0.00 0.00 178.83 178.92 3fyp h ALA 218 N 0.54 1.91 0.13 3.87 0.00 -0.85 -0.84 119.26 124.02 3fyp h ALA 218 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3fyp h ALA 218 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fyp h ALA 218 CO 0.01 -0.03 -0.06 1.25 0.00 0.00 0.00 179.25 180.41 3fyp h LEU 219 N 0.51 -0.14 -0.22 0.00 5.85 -1.24 0.16 115.31 120.23 3fyp h LEU 219 Ca 0.28 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3fyp h LEU 219 Cb 0.44 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3fyp h LEU 219 CO -0.09 0.22 0.12 0.44 -0.34 0.00 0.00 178.44 178.79 3fyp h ASP 220 N -0.52 0.19 -0.57 1.25 5.19 -1.05 -1.15 116.42 119.76 3fyp h ASP 220 Ca -0.02 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 3fyp h ASP 220 Cb 0.42 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 3fyp h ASP 220 CO 0.03 0.14 0.09 0.25 -3.12 0.00 0.00 179.24 176.62 3fyp h LEU 221 N 0.25 0.91 -0.41 1.55 5.85 -1.15 -1.57 115.31 120.73 3fyp h LEU 221 Ca 0.08 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3fyp h LEU 221 Cb 0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3fyp h LEU 221 CO -0.05 0.94 0.14 0.00 -0.34 0.00 0.00 178.44 179.13 3fyp h ALA 222 N 1.00 0.53 -0.63 1.25 0.00 -0.78 -1.91 119.26 118.72 3fyp h ALA 222 Ca 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3fyp h ALA 222 Cb 0.42 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3fyp h ALA 222 CO 0.01 0.17 0.24 -0.07 0.00 0.00 0.00 179.25 179.60 3fyp h LEU 223 N 0.51 0.89 -0.32 0.00 3.38 -1.11 -1.55 115.31 117.10 3fyp h LEU 223 Ca 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3fyp h LEU 223 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3fyp h LEU 223 CO -0.01 0.83 0.21 0.00 0.09 0.00 0.00 178.44 179.56 3fyp h ALA 224 N 1.09 0.41 -0.34 1.53 0.00 -1.07 -1.00 119.26 119.90 3fyp h ALA 224 Ca 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3fyp h ALA 224 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fyp h ALA 224 CO -0.01 -0.12 0.09 0.78 0.00 0.00 0.00 179.25 179.99 3fyp h GLY 225 N 0.44 0.58 2.00 0.00 0.00 -1.22 -2.76 103.07 102.10 3fyp h GLY 225 Ca 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3fyp h GLY 225 CO -0.03 0.33 -0.02 -0.33 0.00 0.00 0.00 176.54 176.49 3fyp h MET 226 N 0.39 0.00 0.00 4.80 2.07 -1.11 -1.67 114.93 119.41 3fyp h MET 226 Ca 0.11 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.74 3fyp h MET 226 Cb 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 3fyp h MET 226 CO -0.00 0.02 0.00 0.00 1.07 0.00 0.00 176.91 178.00 3fyp h ALA 227 N 1.98 1.00 -0.01 6.32 0.00 -0.87 -1.89 119.26 125.79 3fyp h ALA 227 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fyp h ALA 227 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3fyp h ALA 227 CO 0.00 0.00 -0.08 0.25 0.00 0.00 0.00 179.25 179.43 3fyp n THR 228 N -2.61 0.00 -1.56 0.00 -2.24 -0.63 -4.98 114.28 102.26 3fyp n THR 228 Ca -0.00 -0.21 -0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3fyp n THR 228 Cb 0.16 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3fyp n THR 228 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3fyp n ARG 229 N -0.11 -0.15 -4.32 -0.78 0.63 -0.71 -4.95 116.66 106.27 3fyp n ARG 229 Ca 0.17 0.60 -0.22 0.00 -0.92 0.00 0.00 57.85 57.48 3fyp n ARG 229 Cb 0.35 -1.34 -0.12 0.00 0.45 0.00 0.00 32.46 31.80 3fyp n ARG 229 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3fyp s LEU 230 N -0.35 2.40 0.42 6.15 1.43 -1.26 -4.88 118.68 122.59 3fyp s LEU 230 Ca 0.00 -0.81 0.23 0.00 -1.03 0.00 0.00 54.13 52.52 3fyp s LEU 230 Cb -0.00 -0.84 0.81 0.00 0.03 0.00 0.00 46.19 46.18 3fyp s LEU 230 CO 0.04 -0.01 1.78 0.00 0.23 0.00 0.00 176.35 178.39 3fyp h ALA 231 N 3.50 0.98 -2.03 4.21 0.00 -1.14 -3.43 119.26 121.35 3fyp h ALA 231 Ca -0.43 -0.23 0.28 0.00 0.00 0.00 0.00 54.91 54.53 3fyp h ALA 231 Cb 1.20 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 3fyp h ALA 231 CO 0.48 0.31 0.76 0.20 0.00 0.00 0.00 179.25 181.00 3fyp s GLY 232 N -4.30 -0.17 -0.03 0.00 0.00 -1.23 -0.97 107.32 100.62 3fyp s GLY 232 Ca 0.01 0.16 0.04 0.00 0.00 0.00 0.00 44.72 44.93 3fyp s GLY 232 CO 0.65 2.58 -0.14 -2.27 0.00 0.00 0.00 173.10 173.92 3fyp s LEU 233 N -3.37 1.87 -0.14 0.66 2.96 -0.43 -1.77 118.68 118.45 3fyp s LEU 233 Ca 0.21 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3fyp s LEU 233 Cb 0.01 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.91 3fyp s LEU 233 CO 0.00 0.12 -0.20 0.12 -1.32 0.00 0.00 176.35 175.07 3fyp s PHE 234 N 0.08 2.53 -0.14 5.38 5.36 0.11 -1.05 117.98 130.24 3fyp s PHE 234 Ca -0.03 -1.33 0.01 0.00 -0.96 0.00 0.00 56.93 54.62 3fyp s PHE 234 Cb -0.10 -1.75 -0.00 0.00 -0.34 0.00 0.00 43.02 40.83 3fyp s PHE 234 CO 0.01 -0.64 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.45 3fyp s LEU 235 N 1.01 2.38 0.00 6.12 1.43 -0.43 -2.20 118.68 126.98 3fyp s LEU 235 Ca -0.03 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 3fyp s LEU 235 Cb -0.15 -1.52 0.06 0.00 0.03 0.00 0.00 46.19 44.61 3fyp s LEU 235 CO -0.05 0.10 0.43 -0.62 0.23 0.00 0.00 176.35 176.44 3fyp n GLU 236 N 3.94 0.42 -1.42 1.70 1.02 -1.26 -4.34 120.64 120.70 3fyp n GLU 236 Ca -0.19 -1.27 -0.50 0.00 -0.02 0.00 0.00 57.16 55.18 3fyp n GLU 236 Cb 0.52 -0.25 -0.09 0.00 -0.02 0.00 0.00 31.44 31.60 3fyp n GLU 236 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3fyp n SER 237 N -2.89 1.66 0.00 1.62 7.64 -1.26 -4.95 113.62 115.44 3fyp n SER 237 Ca 0.07 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.31 3fyp n SER 237 Cb 0.27 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 3fyp n SER 237 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3fyp n HIS 255 N 9.97 -0.08 -0.00 1.43 -0.00 -1.26 -5.16 115.22 120.13 3fyp n HIS 255 Ca 0.46 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 58.01 3fyp n HIS 255 Cb 0.18 0.03 -0.11 0.00 -0.00 0.00 0.00 29.99 30.09 3fyp n HIS 255 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3fyp h LEU 256 N 0.00 0.56 -0.56 2.41 3.38 -2.05 -2.37 115.31 116.67 3fyp h LEU 256 Ca 0.00 -0.74 -0.08 0.00 0.09 0.00 0.00 57.88 57.15 3fyp h LEU 256 Cb 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3fyp h LEU 256 CO 0.00 1.22 0.03 0.25 0.09 0.00 0.00 178.44 180.03 3fyp h LEU 257 N -0.05 0.94 -0.46 1.67 5.85 -2.03 -2.44 115.31 118.79 3fyp h LEU 257 Ca -0.07 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.40 3fyp h LEU 257 Cb 1.29 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3fyp h LEU 257 CO 0.12 1.00 0.22 -0.08 -0.34 0.00 0.00 178.44 179.36 3fyp h GLU 258 N 0.85 0.43 -0.32 1.25 4.81 -1.92 -0.80 114.58 118.88 3fyp h GLU 258 Ca 0.16 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 3fyp h GLU 258 Cb 0.50 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3fyp h GLU 258 CO 0.02 0.29 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.88 3fyp h ASP 259 N 0.45 0.68 0.61 1.04 3.32 -1.19 -0.74 116.42 120.58 3fyp h ASP 259 Ca 0.20 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3fyp h ASP 259 Cb 0.11 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.49 3fyp h ASP 259 CO -0.15 0.92 -0.29 0.15 -1.72 0.00 0.00 179.24 178.15 3fyp h PHE 260 N 0.57 -0.76 0.00 4.55 3.57 -1.20 -3.04 116.94 120.63 3fyp h PHE 260 Ca 0.07 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3fyp h PHE 260 Cb 0.76 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 3fyp h PHE 260 CO 0.03 -0.43 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.56 3fyp h LEU 261 N -0.96 0.00 -0.85 0.59 3.38 -0.98 -0.94 115.31 115.54 3fyp h LEU 261 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3fyp h LEU 261 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3fyp h LEU 261 CO 0.14 0.05 0.20 0.40 0.09 0.00 0.00 178.44 179.32 3fyp h ILE 262 N 0.00 1.25 -0.16 1.22 2.04 -1.11 -0.15 117.51 120.59 3fyp h ILE 262 Ca -0.00 -0.88 -0.17 0.00 1.00 0.00 0.00 64.86 64.81 3fyp h ILE 262 Cb 0.09 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3fyp h ILE 262 CO 0.01 0.34 -0.55 0.03 0.00 0.00 0.00 178.15 177.98 3fyp h ARG 263 N 1.01 0.66 -0.16 2.37 3.08 -1.09 -2.02 114.38 118.23 3fyp h ARG 263 Ca 0.22 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 3fyp h ARG 263 Cb 0.30 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3fyp h ARG 263 CO -0.01 1.11 0.04 0.82 -1.07 0.00 0.00 179.97 180.87 3fyp h ILE 264 N 0.33 1.19 -1.00 2.04 1.08 -1.00 -2.76 117.51 117.40 3fyp h ILE 264 Ca -0.02 -0.61 0.04 0.00 -0.39 0.00 0.00 64.86 63.88 3fyp h ILE 264 Cb 1.17 1.29 -0.06 0.00 -3.07 0.00 0.00 36.82 36.15 3fyp h ILE 264 CO 0.12 0.19 0.66 0.50 -0.69 0.00 0.00 178.15 178.92 3fyp h LYS 265 N 0.08 1.22 0.16 2.37 3.64 -1.04 0.13 116.57 123.13 3fyp h LYS 265 Ca 0.05 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3fyp h LYS 265 Cb 0.25 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3fyp h LYS 265 CO -0.00 0.81 -0.12 0.00 -2.27 0.00 0.00 179.45 177.87 3fyp h ALA 266 N 1.42 -0.27 -0.49 5.00 0.00 -1.17 0.17 119.26 123.91 3fyp h ALA 266 Ca 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3fyp h ALA 266 Cb 0.02 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3fyp h ALA 266 CO -0.13 -0.66 0.25 1.25 0.00 0.00 0.00 179.25 179.95 3fyp h LEU 267 N -0.29 0.64 -0.72 0.00 5.85 -1.21 -1.99 115.31 117.59 3fyp h LEU 267 Ca -0.01 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 3fyp h LEU 267 Cb 0.25 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3fyp h LEU 267 CO -0.00 0.58 0.29 -0.78 -0.34 0.00 0.00 178.44 178.19 3fyp h ASP 268 N 0.65 0.99 -0.37 1.25 3.58 -0.54 -0.32 116.42 121.66 3fyp h ASP 268 Ca 0.17 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 3fyp h ASP 268 Cb 0.10 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 3fyp h ASP 268 CO -0.02 0.89 0.12 0.44 -2.88 0.00 0.00 179.24 177.79 3fyp h ASP 269 N 1.03 0.54 0.03 2.28 3.32 -0.54 -0.82 116.42 122.26 3fyp h ASP 269 Ca 0.24 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3fyp h ASP 269 Cb 0.20 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3fyp h ASP 269 CO -0.02 0.60 -0.11 0.25 -1.72 0.00 0.00 179.24 178.24 3fyp h LEU 270 N 0.45 -0.31 -0.52 1.55 5.85 -1.04 -2.70 115.31 118.60 3fyp h LEU 270 Ca 0.12 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3fyp h LEU 270 Cb 0.25 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3fyp h LEU 270 CO -0.00 -0.16 0.29 0.40 -0.34 0.00 0.00 178.44 178.63 3fyp h ILE 271 N -0.20 1.17 0.00 4.05 1.08 -0.85 -3.01 117.51 119.74 3fyp h ILE 271 Ca 0.03 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.09 3fyp h ILE 271 Cb 0.24 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3fyp h ILE 271 CO -0.09 0.18 -0.01 0.11 -0.69 0.00 0.00 178.15 177.65 3fyp h LYS 272 N 0.69 0.00 -0.00 2.37 1.79 -1.18 -2.94 116.57 117.29 3fyp h LYS 272 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3fyp h LYS 272 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3fyp h LYS 272 CO -0.03 0.01 -0.21 -1.13 -1.08 0.00 0.00 179.45 177.01 3fyp n SER 273 N -3.10 0.65 -4.72 0.86 3.41 -1.02 -4.78 113.62 104.92 3fyp n SER 273 Ca 0.02 -0.58 -0.35 0.00 -0.26 0.00 0.00 58.87 57.70 3fyp n SER 273 Cb 0.40 0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.28 3fyp n SER 273 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fyp s GLN 274 N -2.58 3.17 0.76 4.33 -0.21 -1.11 -5.09 119.66 118.93 3fyp s GLN 274 Ca 0.24 -0.34 -0.11 0.00 0.02 0.00 0.00 55.36 55.17 3fyp s GLN 274 Cb 0.19 -2.92 0.05 0.00 1.00 0.00 0.00 33.01 31.33 3fyp s GLN 274 CO 0.52 0.68 1.08 -1.25 -2.12 0.00 0.00 175.29 174.21 3fyp s PRO 275 N -0.80 2.41 0.63 2.91 0.04 -1.26 -5.01 135.00 133.92 3fyp s PRO 275 Ca 0.13 1.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 3fyp s PRO 275 Cb -0.12 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 3fyp s PRO 275 CO 0.03 -1.50 1.13 0.42 0.04 0.00 0.00 177.00 177.11 3fyp s ILE 276 N -2.96 3.08 0.29 0.56 1.01 -1.26 -4.92 121.20 117.00 3fyp s ILE 276 Ca 0.60 0.56 -0.25 0.00 0.00 0.00 0.00 60.65 61.55 3fyp s ILE 276 Cb -0.16 -3.11 -0.16 0.00 0.01 0.00 0.00 42.46 39.04 3fyp s ILE 276 CO 0.56 -0.26 0.45 0.18 0.00 0.00 0.00 174.94 175.87 3fyp n LEU 277 N -2.12 -1.25 -4.66 2.97 4.77 -1.26 -4.86 117.00 110.59 3fyp n LEU 277 Ca 0.11 1.02 -0.43 0.00 -0.03 0.00 0.00 56.01 56.68 3fyp n LEU 277 Cb 0.51 -0.99 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 3fyp n LEU 277 CO 0.46 -3.16 1.13 -0.89 -1.33 0.00 0.00 177.39 173.59 3fyp s THR 278 N -1.26 4.18 0.00 -5.08 2.01 -1.26 -5.33 115.64 108.90 3fyp s THR 278 Ca 0.62 1.42 0.00 0.00 0.31 0.00 0.00 61.69 64.04 3fyp s THR 278 Cb -0.78 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 67.78 3fyp s THR 278 CO 0.59 -0.16 0.20 -0.38 -0.69 0.00 0.00 174.62 174.18