#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 6.38 -0.08 6.12 1.01 -1.26 -3.86 116.67 124.98 3fyp s ASP 2 Ca 0.00 0.61 0.03 0.00 0.71 0.00 0.00 52.55 53.91 3fyp s ASP 2 Cb 0.00 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.83 3fyp s ASP 2 CO 0.00 -0.23 -0.17 -0.63 0.21 0.00 0.00 175.17 174.34 3fyp s ILE 3 N -2.17 1.53 -0.18 0.77 1.01 0.37 -4.99 121.20 117.54 3fyp s ILE 3 Ca 0.42 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 3fyp s ILE 3 Cb -0.10 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3fyp s ILE 3 CO 0.33 0.44 0.67 -0.54 0.00 0.00 0.00 174.94 175.84 3fyp s LYS 4 N 0.46 4.25 -0.40 2.79 -0.14 -1.26 -0.92 119.74 124.51 3fyp s LYS 4 Ca -0.15 0.71 0.04 0.00 -1.36 0.00 0.00 55.97 55.21 3fyp s LYS 4 Cb -0.16 -3.57 0.11 0.00 -1.68 0.00 0.00 37.83 32.53 3fyp s LYS 4 CO 0.06 -0.23 0.13 0.42 -0.76 0.00 0.00 175.35 174.96 3fyp s ILE 5 N 1.86 2.35 0.00 2.17 1.01 -0.38 -4.99 121.20 123.22 3fyp s ILE 5 Ca 0.31 -2.68 0.00 0.00 0.00 0.00 0.00 60.65 58.28 3fyp s ILE 5 Cb -0.16 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3fyp s ILE 5 CO 0.11 -0.68 0.00 0.59 0.00 0.00 0.00 174.94 174.97 3fyp n ASN 6 N 3.85 0.00 -1.00 3.58 3.02 -1.26 -0.62 115.26 122.83 3fyp n ASN 6 Ca 0.04 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.70 3fyp n ASN 6 Cb 0.38 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.82 3fyp n ASN 6 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fyp n ASP 7 N 7.32 2.95 -4.77 6.41 8.00 -1.26 -4.89 116.55 130.31 3fyp n ASP 7 Ca 0.00 -1.93 -0.37 0.00 0.71 0.00 0.00 54.79 53.20 3fyp n ASP 7 Cb 0.00 -0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 3fyp n ASP 7 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fyp s ILE 8 N -1.48 5.30 -0.36 0.53 1.01 0.21 -5.07 121.20 121.34 3fyp s ILE 8 Ca 0.37 0.51 -0.14 0.00 0.00 0.00 0.00 60.65 61.39 3fyp s ILE 8 Cb 0.21 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 3fyp s ILE 8 CO 0.29 0.47 0.30 -0.89 0.00 0.00 0.00 174.94 175.11 3fyp s THR 9 N -0.08 5.23 -0.27 2.92 2.01 -1.26 -1.25 115.64 122.94 3fyp s THR 9 Ca 0.17 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.84 3fyp s THR 9 Cb -0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3fyp s THR 9 CO 0.05 -0.12 0.15 -0.22 -0.69 0.00 0.00 174.62 173.79 3fyp s LEU 10 N 1.83 3.85 -0.11 4.42 2.96 -0.10 -4.79 118.68 126.74 3fyp s LEU 10 Ca 0.08 -0.06 -0.31 0.00 -0.22 0.00 0.00 54.13 53.62 3fyp s LEU 10 Cb -0.17 -2.06 0.12 0.00 0.50 0.00 0.00 46.19 44.58 3fyp s LEU 10 CO 0.11 -0.03 1.05 -0.83 -1.32 0.00 0.00 176.35 175.33 3fyp s GLY 11 N 1.65 -0.34 0.25 7.98 0.00 -1.26 -0.48 107.32 115.11 3fyp s GLY 11 Ca 0.07 1.48 0.21 0.00 0.00 0.00 0.00 44.72 46.47 3fyp s GLY 11 CO 0.08 0.55 1.63 0.70 0.00 0.00 0.00 173.10 176.07 3fyp n ASN 12 N -0.00 0.54 -0.40 1.64 3.02 -1.26 -1.43 115.26 117.37 3fyp n ASN 12 Ca -0.05 0.68 0.08 0.00 -0.03 0.00 0.00 54.58 55.25 3fyp n ASN 12 Cb 0.60 -0.78 0.16 0.00 -0.61 0.00 0.00 39.78 39.15 3fyp n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3fyp n ASN 13 N -2.15 2.88 -4.85 6.41 5.15 -1.26 -4.30 115.26 117.15 3fyp n ASN 13 Ca 0.01 -2.78 -0.21 0.00 -0.60 0.00 0.00 54.58 50.99 3fyp n ASN 13 Cb 0.14 -0.38 -0.04 0.00 -0.53 0.00 0.00 39.78 38.97 3fyp n ASN 13 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3fyp s SER 14 N -2.07 5.29 0.29 1.20 0.01 -0.51 -5.06 113.70 112.86 3fyp s SER 14 Ca 0.30 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 3fyp s SER 14 Cb 0.24 -0.99 -0.12 0.00 0.21 0.00 0.00 66.02 65.36 3fyp s SER 14 CO 0.06 -0.34 1.54 -2.65 0.41 0.00 0.00 173.24 172.26 3fyp n PRO 15 N -1.36 2.57 -1.74 12.44 -0.02 -1.26 -4.81 135.00 140.80 3fyp n PRO 15 Ca -0.02 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 3fyp n PRO 15 Cb 0.60 -2.66 0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3fyp n PRO 15 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3fyp n PHE 16 N 1.86 2.57 -3.93 6.00 1.16 -1.26 -4.83 117.46 119.03 3fyp n PHE 16 Ca 0.08 0.46 -0.35 0.00 -1.87 0.00 0.00 57.45 55.78 3fyp n PHE 16 Cb 0.36 -2.45 -0.08 0.00 -1.61 0.00 0.00 39.48 35.70 3fyp n PHE 16 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3fyp s VAL 17 N -1.17 5.07 -0.17 1.97 1.01 -0.47 -4.31 120.40 122.32 3fyp s VAL 17 Ca 0.59 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.43 3fyp s VAL 17 Cb -0.48 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3fyp s VAL 17 CO 0.59 0.50 0.58 -0.22 0.00 0.00 0.00 175.10 176.55 3fyp s LEU 18 N -0.01 4.19 -0.41 3.92 2.96 -0.19 -1.56 118.68 127.57 3fyp s LEU 18 Ca 0.08 0.82 -0.10 0.00 -0.22 0.00 0.00 54.13 54.71 3fyp s LEU 18 Cb -0.12 -2.82 0.07 0.00 0.50 0.00 0.00 46.19 43.82 3fyp s LEU 18 CO 0.00 -0.18 0.26 -0.36 -1.32 0.00 0.00 176.35 174.75 3fyp s PHE 19 N 1.49 3.31 -0.02 5.38 0.40 0.24 -0.81 117.98 127.99 3fyp s PHE 19 Ca 0.28 -1.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.11 3fyp s PHE 19 Cb -0.16 -2.88 0.01 0.00 0.51 0.00 0.00 43.02 40.51 3fyp s PHE 19 CO 0.11 -0.81 0.20 0.20 0.70 0.00 0.00 175.22 175.62 3fyp s GLY 20 N 2.05 -0.05 0.00 4.36 0.00 -0.53 -0.41 107.32 112.74 3fyp s GLY 20 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.88 3fyp s GLY 20 CO 0.03 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.72 3fyp n GLY 21 N 1.67 -0.56 3.38 0.20 0.00 -1.10 -1.51 105.19 107.28 3fyp n GLY 21 Ca -0.21 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.32 0.97 -0.00 -0.61 -4.36 -0.24 -0.94 121.20 115.70 3fyp s ILE 22 Ca 0.00 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.36 3fyp s ILE 22 Cb 0.00 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 3fyp s ILE 22 CO 0.00 -0.09 0.64 0.00 0.24 0.00 0.00 174.94 175.72 3fyp s VAL 24 N -2.39 1.47 -0.04 0.00 1.01 -1.26 -1.57 120.40 117.62 3fyp s VAL 24 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 3fyp s VAL 24 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 3fyp s VAL 24 CO 0.03 0.43 1.65 -0.76 0.00 0.00 0.00 175.10 176.45 3fyp s LEU 25 N 0.61 4.33 0.00 3.92 1.43 0.14 -4.83 118.68 124.28 3fyp s LEU 25 Ca -0.15 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 3fyp s LEU 25 Cb -0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.52 3fyp s LEU 25 CO 0.05 -0.91 0.00 -0.62 0.23 0.00 0.00 176.35 175.09 3fyp n GLU 26 N 6.91 4.67 -3.52 1.70 1.02 -1.26 -1.73 120.64 128.43 3fyp n GLU 26 Ca 0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.23 3fyp n GLU 26 Cb 0.43 -0.49 -0.02 0.00 -0.02 0.00 0.00 31.44 31.33 3fyp n GLU 26 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3fyp s SER 27 N -0.94 -0.37 -0.16 1.62 1.04 -1.26 -4.90 113.70 108.73 3fyp s SER 27 Ca 0.00 -0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.26 3fyp s SER 27 Cb 0.00 0.42 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 3fyp s SER 27 CO 0.00 -0.68 -0.04 0.25 0.98 0.00 0.00 173.24 173.75 3fyp h LEU 28 N 2.00 0.00 -1.24 2.42 5.85 -1.99 -3.33 115.31 119.02 3fyp h LEU 28 Ca -0.23 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3fyp h LEU 28 Cb 1.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 3fyp h LEU 28 CO 0.31 0.97 0.39 0.44 -0.34 0.00 0.00 178.44 180.21 3fyp h ASP 29 N -1.00 0.81 0.33 1.25 3.32 -1.99 -0.92 116.42 118.22 3fyp h ASP 29 Ca -0.11 -0.05 -0.24 0.00 0.02 0.00 0.00 57.03 56.66 3fyp h ASP 29 Cb 0.73 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.08 3fyp h ASP 29 CO -0.06 0.63 -0.99 -1.28 -1.72 0.00 0.00 179.24 175.81 3fyp h SER 30 N 0.93 0.57 -0.32 6.45 0.87 -1.99 -1.89 113.55 118.16 3fyp h SER 30 Ca 0.24 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3fyp h SER 30 Cb -0.02 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 3fyp h SER 30 CO -0.04 1.28 0.19 0.74 -0.53 0.00 0.00 176.83 178.47 3fyp h THR 31 N 0.23 1.12 -0.74 2.23 2.02 -1.51 -1.03 112.91 115.23 3fyp h THR 31 Ca -0.09 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3fyp h THR 31 Cb 1.64 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3fyp h THR 31 CO 0.17 0.12 0.36 -0.07 0.37 0.00 0.00 175.52 176.47 3fyp h LEU 32 N 0.41 0.94 -0.37 2.58 3.38 -1.04 -0.04 115.31 121.18 3fyp h LEU 32 Ca 0.12 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3fyp h LEU 32 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3fyp h LEU 32 CO -0.02 0.79 0.01 1.56 0.09 0.00 0.00 178.44 180.87 3fyp h GLN 33 N 1.04 0.65 -0.19 1.13 4.20 -0.98 0.95 115.11 121.90 3fyp h GLN 33 Ca 0.26 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 3fyp h GLN 33 Cb 0.09 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3fyp h GLN 33 CO -0.03 0.74 -0.02 1.15 -0.67 0.00 0.00 178.83 180.00 3fyp h THR 34 N 0.47 1.27 -0.85 -0.54 2.02 -1.03 -2.59 112.91 111.65 3fyp h THR 34 Ca 0.11 -0.93 0.04 0.00 0.77 0.00 0.00 66.41 66.40 3fyp h THR 34 Cb 0.44 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 3fyp h THR 34 CO 0.02 0.28 0.54 0.00 0.37 0.00 0.00 175.52 176.73 3fyp h ALA 36 N 1.37 1.34 -0.33 0.00 0.00 -0.62 0.35 119.26 121.38 3fyp h ALA 36 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 3fyp h ALA 36 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3fyp h ALA 36 CO -0.14 0.28 -0.17 1.25 0.00 0.00 0.00 179.25 180.48 3fyp h HIS 37 N 1.01 0.80 -0.80 0.00 6.17 -0.95 -0.43 115.15 120.95 3fyp h HIS 37 Ca 0.43 -0.20 -0.03 0.00 0.71 0.00 0.00 60.37 61.28 3fyp h HIS 37 Cb 0.29 -0.18 -0.04 0.00 2.52 0.00 0.00 27.41 30.00 3fyp h HIS 37 CO -0.02 0.91 0.39 1.88 0.71 0.00 0.00 177.93 181.80 3fyp h TYR 38 N 0.46 1.14 -0.31 5.26 -1.99 -0.80 -2.21 116.97 118.52 3fyp h TYR 38 Ca 0.07 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.68 3fyp h TYR 38 Cb 0.70 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 3fyp h TYR 38 CO 0.06 0.82 -0.08 0.28 -0.00 0.00 0.00 178.16 179.24 3fyp h VAL 39 N 1.14 1.28 -0.44 -2.88 2.07 -0.69 -0.85 116.25 115.88 3fyp h VAL 39 Ca 0.28 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 3fyp h VAL 39 Cb 0.11 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3fyp h VAL 39 CO -0.04 0.36 0.11 -0.08 0.02 0.00 0.00 177.57 177.95 3fyp h GLU 40 N 0.38 0.70 -0.15 1.57 4.22 -0.91 0.88 114.58 121.27 3fyp h GLU 40 Ca 0.08 -0.17 -0.08 0.00 0.08 0.00 0.00 59.36 59.28 3fyp h GLU 40 Cb 0.57 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3fyp h GLU 40 CO 0.03 0.70 -0.20 0.28 -2.18 0.00 0.00 179.01 177.64 3fyp h VAL 41 N 0.57 1.35 -0.61 0.32 2.07 -1.34 -1.79 116.25 116.83 3fyp h VAL 41 Ca 0.14 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 3fyp h VAL 41 Cb 0.32 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3fyp h VAL 41 CO 0.00 0.42 0.10 0.71 0.02 0.00 0.00 177.57 178.82 3fyp h THR 42 N 0.02 1.26 -0.76 2.57 1.35 -1.11 -2.71 112.91 113.53 3fyp h THR 42 Ca 0.02 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 3fyp h THR 42 Cb 0.76 0.72 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 3fyp h THR 42 CO 0.05 0.37 0.44 0.03 -0.25 0.00 0.00 175.52 176.15 3fyp h ARG 43 N 0.91 1.04 -0.04 4.72 3.08 -0.79 0.27 114.38 123.57 3fyp h ARG 43 Ca 0.19 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3fyp h ARG 43 Cb 0.42 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3fyp h ARG 43 CO 0.01 0.75 0.02 -0.22 -1.07 0.00 0.00 179.97 179.47 3fyp h LYS 44 N 1.04 0.05 -0.01 0.04 3.64 -1.10 -2.55 116.57 117.69 3fyp h LYS 44 Ca 0.27 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3fyp h LYS 44 Cb -0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3fyp h LYS 44 CO -0.05 0.04 -0.52 1.28 -2.27 0.00 0.00 179.45 177.93 3fyp n LEU 45 N -4.53 1.23 -0.92 5.20 4.77 -0.72 -4.99 117.00 117.04 3fyp n LEU 45 Ca -0.02 -0.64 -0.08 0.00 -0.03 0.00 0.00 56.01 55.23 3fyp n LEU 45 Cb 0.09 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3fyp n LEU 45 CO 0.34 0.25 -0.10 0.61 -1.33 0.00 0.00 177.39 177.16 3fyp n GLY 46 N 1.26 0.11 3.70 -0.72 0.00 0.84 -5.01 105.19 105.36 3fyp n GLY 46 Ca 0.05 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.41 5.21 0.42 -0.61 1.01 -0.56 -5.02 121.20 119.24 3fyp s ILE 47 Ca 0.00 0.78 -0.25 0.00 0.00 0.00 0.00 60.65 61.17 3fyp s ILE 47 Cb 0.00 -3.75 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 3fyp s ILE 47 CO 0.00 0.30 1.29 -2.84 0.00 0.00 0.00 174.94 173.69 3fyp s PRO 48 N 0.95 3.88 -0.08 2.79 0.02 -1.26 -4.53 135.00 136.77 3fyp s PRO 48 Ca 0.21 2.12 -0.04 0.00 0.02 0.00 0.00 61.00 63.32 3fyp s PRO 48 Cb -0.15 -2.68 0.04 0.00 0.02 0.00 0.00 34.50 31.74 3fyp s PRO 48 CO 0.08 -0.56 0.18 -0.47 -0.33 0.00 0.00 177.00 175.91 3fyp s TYR 49 N -1.30 -0.23 -0.12 6.54 5.04 -1.26 -1.02 117.35 125.00 3fyp s TYR 49 Ca 0.59 0.60 0.02 0.00 -2.44 0.00 0.00 57.07 55.84 3fyp s TYR 49 Cb -0.37 -0.05 0.01 0.00 0.35 0.00 0.00 41.96 41.90 3fyp s TYR 49 CO 0.47 -0.20 -0.17 0.42 -1.34 0.00 0.00 175.55 174.73 3fyp s ILE 50 N 1.32 1.67 0.01 3.14 1.01 0.01 -4.33 121.20 124.03 3fyp s ILE 50 Ca -0.08 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 3fyp s ILE 50 Cb -0.11 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 3fyp s ILE 50 CO -0.07 0.47 1.00 0.12 0.00 0.00 0.00 174.94 176.47 3fyp s PHE 51 N 1.03 3.64 -0.07 3.97 5.36 -0.95 -1.45 117.98 129.51 3fyp s PHE 51 Ca -0.05 1.66 0.04 0.00 -0.96 0.00 0.00 56.93 57.63 3fyp s PHE 51 Cb -0.15 -3.15 -0.01 0.00 -0.34 0.00 0.00 43.02 39.37 3fyp s PHE 51 CO -0.03 -0.14 -0.20 0.21 -1.46 0.00 0.00 175.22 173.60 3fyp s LYS 52 N 0.98 2.73 0.13 10.12 2.36 -0.57 -0.83 119.74 134.65 3fyp s LYS 52 Ca 0.53 -0.81 -0.24 0.00 -2.55 0.00 0.00 55.97 52.89 3fyp s LYS 52 Cb -0.22 -2.32 0.07 0.00 -1.05 0.00 0.00 37.83 34.32 3fyp s LYS 52 CO 0.28 0.40 0.62 0.00 1.55 0.00 0.00 175.35 178.20 3fyp s ALA 53 N -0.17 -1.63 -0.06 3.13 0.00 -1.17 -1.07 121.76 120.79 3fyp s ALA 53 Ca -0.02 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 3fyp s ALA 53 Cb -0.14 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 3fyp s ALA 53 CO 0.03 -0.72 0.04 0.45 0.00 0.00 0.00 175.76 175.56 3fyp s SER 54 N -2.56 5.48 0.00 0.00 0.15 -0.61 -4.32 113.70 111.84 3fyp s SER 54 Ca -0.00 0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.04 3fyp s SER 54 Cb -0.01 -1.57 0.04 0.00 -1.71 0.00 0.00 66.02 62.78 3fyp s SER 54 CO -0.10 0.34 1.10 2.22 1.20 0.00 0.00 173.24 178.00 3fyp n PHE 55 N 1.75 0.00 -2.98 3.44 1.16 -1.26 0.28 117.46 119.85 3fyp n PHE 55 Ca -0.17 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.35 3fyp n PHE 55 Cb 0.53 -0.03 -0.01 0.00 -1.61 0.00 0.00 39.48 38.36 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 -2.70 -1.01 -0.12 5.98 2.15 -1.24 -0.93 116.67 118.80 3fyp s ASP 56 Ca 0.15 -1.62 -0.28 0.00 0.43 0.00 0.00 52.55 51.23 3fyp s ASP 56 Cb 0.17 1.60 -0.01 0.00 -0.30 0.00 0.00 42.92 44.38 3fyp s ASP 56 CO 0.68 -0.11 0.96 -0.75 -0.17 0.00 0.00 175.17 175.78 3fyp s LYS 57 N 1.08 4.40 -0.13 4.34 2.47 0.55 -4.95 119.74 127.49 3fyp s LYS 57 Ca 0.26 1.29 -0.16 0.00 -1.56 0.00 0.00 55.97 55.80 3fyp s LYS 57 Cb -0.02 -3.55 -0.14 0.00 -1.46 0.00 0.00 37.83 32.67 3fyp s LYS 57 CO -0.07 -0.30 0.35 0.00 0.16 0.00 0.00 175.35 175.49 3fyp h ALA 58 N 7.13 0.03 -2.42 3.13 0.00 -2.00 -3.41 119.26 121.73 3fyp h ALA 58 Ca -0.31 -0.41 -0.77 0.00 0.00 0.00 0.00 54.91 53.42 3fyp h ALA 58 Cb 1.14 0.13 -0.25 0.00 0.00 0.00 0.00 17.79 18.82 3fyp h ALA 58 CO 0.85 0.12 -0.04 1.21 0.00 0.00 0.00 179.25 181.39 3fyp s ASN 59 N -6.01 6.46 0.29 0.00 3.04 -1.26 -5.05 114.94 112.41 3fyp s ASN 59 Ca -0.13 -2.20 -0.08 0.00 0.04 0.00 0.00 52.86 50.50 3fyp s ASN 59 Cb -0.00 -2.22 -0.06 0.00 -1.54 0.00 0.00 41.25 37.43 3fyp s ASN 59 CO 0.39 -0.74 0.59 -0.13 -3.04 0.00 0.00 177.10 174.17 3fyp s ARG 60 N 1.01 3.72 0.37 0.43 3.00 -1.26 -4.98 118.95 121.23 3fyp s ARG 60 Ca 0.11 0.18 0.04 0.00 0.00 0.00 0.00 55.73 56.06 3fyp s ARG 60 Cb -0.20 -2.60 0.70 0.00 0.00 0.00 0.00 34.95 32.85 3fyp s ARG 60 CO -0.03 0.21 2.02 0.66 0.00 0.00 0.00 175.30 178.16 3fyp h SER 61 N 1.91 0.64 -4.90 0.23 4.64 -1.96 -3.44 113.55 110.66 3fyp h SER 61 Ca -0.47 -0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 60.58 3fyp h SER 61 Cb 1.18 -0.16 -0.15 0.00 -0.31 0.00 0.00 62.40 62.96 3fyp h SER 61 CO 0.67 0.47 -0.65 -0.44 -0.87 0.00 0.00 176.83 176.01 3fyp s SER 62 N -6.55 0.82 0.50 4.97 0.01 -1.26 -5.04 113.70 107.15 3fyp s SER 62 Ca -0.09 -1.21 0.28 0.00 1.31 0.00 0.00 55.95 56.23 3fyp s SER 62 Cb 0.17 0.20 1.24 0.00 0.21 0.00 0.00 66.02 67.85 3fyp s SER 62 CO 0.75 -0.66 1.96 0.16 0.41 0.00 0.00 173.24 175.87 3fyp h ILE 63 N 2.73 0.44 -0.01 1.44 3.07 -2.03 -3.11 117.51 120.04 3fyp h ILE 63 Ca -0.36 -0.78 0.00 0.00 1.55 0.00 0.00 64.86 65.27 3fyp h ILE 63 Cb 1.21 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 3fyp h ILE 63 CO 0.61 0.14 0.00 1.41 -1.05 0.00 0.00 178.15 179.26 3fyp n HIS 64 N -3.40 0.01 -1.95 0.16 8.25 -1.26 -4.99 115.22 112.04 3fyp n HIS 64 Ca -0.01 -0.51 -0.38 0.00 -0.26 0.00 0.00 57.72 56.57 3fyp n HIS 64 Cb 0.33 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.41 3fyp n HIS 64 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fyp s SER 65 N -1.03 5.54 0.11 0.41 1.04 -1.18 -4.88 113.70 113.72 3fyp s SER 65 Ca 0.01 2.59 -0.31 0.00 0.48 0.00 0.00 55.95 58.72 3fyp s SER 65 Cb 0.01 -2.62 -0.10 0.00 0.10 0.00 0.00 66.02 63.41 3fyp s SER 65 CO 0.00 -1.37 1.74 -0.47 0.98 0.00 0.00 173.24 174.12 3fyp s TYR 66 N -1.40 2.39 -0.98 5.02 5.04 -1.26 -4.86 117.35 121.29 3fyp s TYR 66 Ca 0.70 0.19 0.28 0.00 -2.44 0.00 0.00 57.07 55.79 3fyp s TYR 66 Cb -0.36 -4.08 1.08 0.00 0.35 0.00 0.00 41.96 38.95 3fyp s TYR 66 CO 0.42 -4.34 1.83 2.89 -1.34 0.00 0.00 175.55 175.01 3fyp n ARG 67 N 5.36 0.02 0.00 4.97 1.85 -1.26 -4.91 116.66 122.69 3fyp n ARG 67 Ca 0.17 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 3fyp n ARG 67 Cb 0.39 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 3fyp n ARG 67 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fyp n GLY 68 N 1.49 1.96 0.25 2.89 0.00 -1.26 -0.33 105.19 110.18 3fyp n GLY 68 Ca 0.07 -2.09 0.17 0.00 0.00 0.00 0.00 46.02 44.16 3fyp n GLY 68 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3fyp h VAL 69 N 0.00 0.00 0.00 1.61 -1.51 -1.38 -3.46 116.25 111.51 3fyp h VAL 69 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 3fyp h VAL 69 Cb 0.00 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 3fyp h VAL 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3fyp n GLY 70 N -0.92 -0.81 0.09 5.19 0.00 -0.11 -4.45 105.19 104.18 3fyp n GLY 70 Ca -0.02 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.11 -0.15 0.99 5.85 -1.94 0.61 115.31 120.56 3fyp h LEU 71 Ca 0.00 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 3fyp h LEU 71 Cb 0.00 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3fyp h LEU 71 CO 0.00 0.09 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.66 3fyp h GLU 72 N -0.30 0.40 0.00 1.25 4.39 -1.98 -0.56 114.58 117.79 3fyp h GLU 72 Ca -0.01 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 59.32 3fyp h GLU 72 Cb 0.25 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3fyp h GLU 72 CO 0.02 0.80 -0.66 1.49 -1.16 0.00 0.00 179.01 179.51 3fyp h GLU 73 N 0.03 0.00 -0.22 2.33 4.57 -1.77 -2.76 114.58 116.75 3fyp h GLU 73 Ca 0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 3fyp h GLU 73 Cb 0.75 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 3fyp h GLU 73 CO 0.05 0.66 -0.10 0.78 -1.18 0.00 0.00 179.01 179.21 3fyp h GLY 74 N 2.31 0.50 1.51 1.92 0.00 -0.54 -1.56 103.07 107.19 3fyp h GLY 74 Ca -0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3fyp h GLY 74 CO 0.09 0.40 -0.07 1.41 0.00 0.00 0.00 176.54 178.36 3fyp h LEU 75 N 0.17 0.58 -1.06 3.11 3.38 -1.11 -0.77 115.31 119.61 3fyp h LEU 75 Ca 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3fyp h LEU 75 Cb 0.59 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3fyp h LEU 75 CO 0.03 0.70 0.33 0.50 0.09 0.00 0.00 178.44 180.09 3fyp h LYS 76 N 0.56 1.00 -0.26 1.13 3.64 -1.27 0.73 116.57 122.09 3fyp h LYS 76 Ca 0.11 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 3fyp h LYS 76 Cb 0.47 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3fyp h LYS 76 CO 0.02 0.77 -0.25 0.82 -2.27 0.00 0.00 179.45 178.55 3fyp h ILE 77 N 0.99 1.31 -1.00 2.00 2.04 -0.68 -2.44 117.51 119.73 3fyp h ILE 77 Ca 0.24 -1.41 0.03 0.00 1.00 0.00 0.00 64.86 64.72 3fyp h ILE 77 Cb 0.11 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 3fyp h ILE 77 CO -0.03 0.45 0.66 -0.26 0.00 0.00 0.00 178.15 178.96 3fyp h PHE 78 N 0.36 1.23 -0.81 1.37 0.05 -0.85 -0.36 116.94 117.94 3fyp h PHE 78 Ca 0.04 0.03 0.03 0.00 3.82 0.00 0.00 57.97 61.90 3fyp h PHE 78 Cb 0.81 -0.41 -0.05 0.00 2.00 0.00 0.00 35.95 38.30 3fyp h PHE 78 CO 0.07 0.73 0.53 0.93 -0.18 0.00 0.00 178.31 180.39 3fyp h GLU 79 N 1.29 0.98 -0.18 1.51 5.08 -0.64 -1.04 114.58 121.57 3fyp h GLU 79 Ca 0.39 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.50 3fyp h GLU 79 Cb -0.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.00 3fyp h GLU 79 CO -0.11 0.65 -0.66 -0.22 -1.00 0.00 0.00 179.01 177.66 3fyp h LYS 80 N 1.01 0.68 -0.26 2.33 1.63 -0.80 -0.81 116.57 120.34 3fyp h LYS 80 Ca 0.32 -0.50 -0.00 0.00 -0.85 0.00 0.00 60.65 59.62 3fyp h LYS 80 Cb 0.02 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3fyp h LYS 80 CO -0.09 1.12 0.15 0.28 -3.45 0.00 0.00 179.45 177.46 3fyp h VAL 81 N 0.50 1.12 -0.22 2.00 2.07 -0.63 0.02 116.25 121.10 3fyp h VAL 81 Ca -0.02 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3fyp h VAL 81 Cb 1.26 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3fyp h VAL 81 CO 0.13 0.12 0.01 0.11 0.02 0.00 0.00 177.57 177.96 3fyp h LYS 82 N 0.32 0.09 -0.47 1.57 1.57 -1.05 -1.00 116.57 117.59 3fyp h LYS 82 Ca 0.09 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3fyp h LYS 82 Cb 0.05 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3fyp h LYS 82 CO -0.02 0.06 0.07 0.00 -0.57 0.00 0.00 179.45 178.99 3fyp h ALA 83 N 1.18 0.63 -0.08 3.86 0.00 -0.99 -0.48 119.26 123.37 3fyp h ALA 83 Ca 0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3fyp h ALA 83 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fyp h ALA 83 CO -0.16 0.36 -0.33 1.49 0.00 0.00 0.00 179.25 180.61 3fyp h GLU 84 N 0.65 0.37 0.00 0.00 4.81 -0.88 -3.38 114.58 116.15 3fyp h GLU 84 Ca 0.14 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3fyp h GLU 84 Cb 0.40 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3fyp h GLU 84 CO 0.01 0.92 -1.48 1.19 -0.73 0.00 0.00 179.01 178.92 3fyp n PHE 85 N -4.41 0.00 -1.35 0.92 3.01 -0.39 -5.00 117.46 110.24 3fyp n PHE 85 Ca -0.08 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.32 3fyp n PHE 85 Cb 0.50 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 39.68 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 1.67 0.71 3.79 1.37 0.00 -0.19 -5.02 105.19 107.53 3fyp n GLY 86 Ca -0.02 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.24 4.36 0.72 -0.61 -4.36 -1.26 -5.06 121.20 112.76 3fyp s ILE 87 Ca 0.00 -1.29 -0.11 0.00 -0.26 0.00 0.00 60.65 58.98 3fyp s ILE 87 Cb 0.00 -3.29 0.02 0.00 1.25 0.00 0.00 42.46 40.44 3fyp s ILE 87 CO 0.00 -0.23 1.08 -2.84 0.24 0.00 0.00 174.94 173.19 3fyp s PRO 88 N -3.45 2.73 0.09 0.37 0.02 -1.26 -4.57 135.00 128.93 3fyp s PRO 88 Ca 0.32 0.63 0.03 0.00 0.02 0.00 0.00 61.00 62.00 3fyp s PRO 88 Cb -0.09 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 3fyp s PRO 88 CO 0.24 -1.16 -0.09 0.14 -0.33 0.00 0.00 177.00 175.79 3fyp s VAL 89 N -3.22 0.86 -0.02 3.83 -7.23 -1.26 -2.24 120.40 111.12 3fyp s VAL 89 Ca 0.58 -1.65 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 3fyp s VAL 89 Cb -0.13 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.46 3fyp s VAL 89 CO 0.53 -0.60 -0.05 -0.51 -0.31 0.00 0.00 175.10 174.16 3fyp s ILE 90 N -2.57 0.46 0.10 -0.62 2.07 -0.01 -1.80 121.20 118.82 3fyp s ILE 90 Ca 0.05 -0.19 -0.08 0.00 -1.41 0.00 0.00 60.65 59.02 3fyp s ILE 90 Cb -0.02 -0.42 -0.01 0.00 0.13 0.00 0.00 42.46 42.14 3fyp s ILE 90 CO -0.01 0.15 0.18 0.28 -1.91 0.00 0.00 174.94 173.63 3fyp s THR 91 N 0.20 0.14 0.28 4.00 -1.32 -1.05 -3.04 115.64 114.85 3fyp s THR 91 Ca -0.02 -1.29 -0.04 0.00 -1.21 0.00 0.00 61.69 59.12 3fyp s THR 91 Cb -0.06 -1.44 -0.05 0.00 -1.51 0.00 0.00 72.50 69.43 3fyp s THR 91 CO -0.00 -0.63 0.53 1.51 -2.21 0.00 0.00 174.62 173.82 3fyp s ASP 92 N -2.89 6.44 0.04 8.08 -4.77 -1.26 -0.89 116.67 121.42 3fyp s ASP 92 Ca 0.07 0.68 0.08 0.00 -3.30 0.00 0.00 52.55 50.09 3fyp s ASP 92 Cb 0.05 -2.13 -0.03 0.00 -1.09 0.00 0.00 42.92 39.72 3fyp s ASP 92 CO -0.09 -0.17 -0.24 0.68 0.70 0.00 0.00 175.17 176.05 3fyp s VAL 93 N -2.05 1.95 -0.10 2.11 -7.23 -0.87 -4.84 120.40 109.38 3fyp s VAL 93 Ca 0.43 -1.31 0.05 0.00 -1.81 0.00 0.00 61.98 59.34 3fyp s VAL 93 Cb -0.11 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.09 3fyp s VAL 93 CO 0.30 0.31 0.14 1.41 -0.31 0.00 0.00 175.10 176.94 3fyp n HIS 94 N 1.81 0.00 -3.99 2.82 8.25 -1.26 -4.38 115.22 118.48 3fyp n HIS 94 Ca -0.17 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.17 3fyp n HIS 94 Cb 0.52 -0.06 -0.12 0.00 1.12 0.00 0.00 29.99 31.45 3fyp n HIS 94 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fyp s GLU 95 N -1.90 0.27 0.29 -0.41 0.41 -1.26 -5.05 118.70 111.05 3fyp s GLU 95 Ca -0.00 -0.38 0.04 0.00 -0.41 0.00 0.00 54.97 54.22 3fyp s GLU 95 Cb 0.03 -0.07 0.71 0.00 -1.78 0.00 0.00 34.13 33.02 3fyp s GLU 95 CO 0.19 0.01 1.74 -1.35 -0.49 0.00 0.00 175.26 175.35 3fyp h PRO 96 N 5.29 0.58 0.00 0.39 0.11 -1.91 -0.75 132.00 135.70 3fyp h PRO 96 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3fyp h PRO 96 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fyp h PRO 96 CO 0.45 0.38 0.00 1.12 -0.21 0.00 0.00 178.00 179.75 3fyp h HIS 97 N 0.59 0.00 0.00 0.65 2.07 -1.98 -1.35 115.15 115.13 3fyp h HIS 97 Ca 0.56 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 3fyp h HIS 97 Cb 0.94 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.92 3fyp h HIS 97 CO -0.06 0.00 -0.78 1.96 -3.07 0.00 0.00 177.93 175.97 3fyp h GLN 98 N 0.00 0.00 -0.06 5.12 4.20 -1.55 -3.40 115.11 119.42 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 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3fyp h GLN 98 CO 0.00 0.00 0.04 0.00 -0.67 0.00 0.00 178.83 178.20 3fyp h GLN 100 N 0.05 -0.44 -0.03 0.00 4.20 -1.77 -0.53 115.11 116.59 3fyp h GLN 100 Ca 0.02 0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3fyp h GLN 100 Cb 0.02 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3fyp h GLN 100 CO -0.00 -0.23 -0.39 -1.00 -0.67 0.00 0.00 178.83 176.54 3fyp h PRO 101 N -0.57 0.06 -0.17 1.46 0.13 -1.79 -2.17 132.00 128.95 3fyp h PRO 101 Ca -0.05 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 3fyp h PRO 101 Cb 0.42 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 3fyp h PRO 101 CO 0.08 0.44 -0.15 0.28 -0.23 0.00 0.00 178.00 178.42 3fyp h VAL 102 N 0.05 1.34 0.00 1.56 2.07 -1.37 -3.23 116.25 116.67 3fyp h VAL 102 Ca 0.00 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 3fyp h VAL 102 Cb 0.71 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3fyp h VAL 102 CO 0.05 0.38 -0.15 0.00 0.02 0.00 0.00 177.57 177.88 3fyp h ALA 103 N 0.63 1.75 0.00 1.67 0.00 -0.95 0.21 119.26 122.57 3fyp h ALA 103 Ca 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3fyp h ALA 103 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3fyp h ALA 103 CO 0.04 0.19 -0.20 0.93 0.00 0.00 0.00 179.25 180.20 3fyp h GLU 104 N 0.00 0.00 0.00 0.00 5.08 -1.41 -3.28 114.58 114.97 3fyp h GLU 104 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3fyp h GLU 104 Cb 0.26 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 3fyp h GLU 104 CO 0.02 0.20 -2.34 0.28 -1.00 0.00 0.00 179.01 176.17 3fyp n VAL 105 N -3.82 1.34 -3.71 3.13 0.31 -0.58 -5.02 118.33 109.99 3fyp n VAL 105 Ca -0.02 -0.43 -0.37 0.00 -0.01 0.00 0.00 64.34 63.52 3fyp n VAL 105 Cb 0.30 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 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 4.67 0.32 -3.69 0.00 5.19 -1.70 -3.42 116.42 117.79 3fyp h ASP 107 Ca -0.53 -0.26 -0.51 0.00 -0.62 0.00 0.00 57.03 55.12 3fyp h ASP 107 Cb 1.22 -0.10 -0.32 0.00 0.18 0.00 0.00 39.33 40.31 3fyp h ASP 107 CO 0.61 1.06 -0.81 -0.69 -3.12 0.00 0.00 179.24 176.28 3fyp s VAL 108 N -3.23 1.14 0.02 -1.35 1.01 -0.74 -4.10 120.40 113.15 3fyp s VAL 108 Ca -0.04 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3fyp s VAL 108 Cb 0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3fyp s VAL 108 CO 0.84 0.35 -0.06 0.27 0.00 0.00 0.00 175.10 176.49 3fyp s ILE 109 N 0.33 3.67 -0.09 2.22 -4.36 -0.66 -2.52 121.20 119.78 3fyp s ILE 109 Ca -0.08 -0.85 0.04 0.00 -0.26 0.00 0.00 60.65 59.50 3fyp s ILE 109 Cb -0.12 -2.63 -0.01 0.00 1.25 0.00 0.00 42.46 40.95 3fyp s ILE 109 CO 0.02 0.33 -0.21 -1.58 0.24 0.00 0.00 174.94 173.74 3fyp s GLN 110 N -1.61 2.98 -0.48 0.37 0.74 -0.07 -0.93 119.66 120.67 3fyp s GLN 110 Ca 0.19 -0.83 -0.23 0.00 0.05 0.00 0.00 55.36 54.54 3fyp s GLN 110 Cb -0.11 -2.35 0.03 0.00 1.10 0.00 0.00 33.01 31.68 3fyp s GLN 110 CO 0.09 0.26 0.79 -1.17 -0.55 0.00 0.00 175.29 174.72 3fyp s LEU 111 N 0.16 4.32 0.69 3.68 2.96 -0.03 -2.04 118.68 128.43 3fyp s LEU 111 Ca -0.12 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 53.36 3fyp s LEU 111 Cb -0.16 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.69 3fyp s LEU 111 CO 0.06 -0.97 1.20 -2.84 -1.32 0.00 0.00 176.35 172.48 3fyp s PRO 112 N 3.33 2.38 0.28 0.98 0.02 -1.26 -2.43 135.00 138.29 3fyp s PRO 112 Ca 0.28 1.73 -0.02 0.00 0.02 0.00 0.00 61.00 63.01 3fyp s PRO 112 Cb -0.13 -1.87 0.43 0.00 0.02 0.00 0.00 34.50 32.96 3fyp s PRO 112 CO 0.20 -1.64 1.92 0.00 -0.33 0.00 0.00 177.00 177.15 3fyp h ALA 113 N -0.02 1.42 0.00 -1.55 0.00 -1.93 -0.67 119.26 116.51 3fyp h ALA 113 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3fyp h ALA 113 Cb 1.29 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3fyp h ALA 113 CO 0.51 0.47 0.00 0.27 0.00 0.00 0.00 179.25 180.51 3fyp h PHE 114 N 1.15 0.00 -0.45 0.00 -5.15 -1.89 -2.46 116.94 108.13 3fyp h PHE 114 Ca 0.38 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.15 3fyp h PHE 114 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.23 3fyp h PHE 114 CO -0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 3fyp n LEU 115 N -2.55 3.58 0.27 2.10 4.77 -0.29 -4.69 117.00 120.19 3fyp n LEU 115 Ca 0.03 -2.24 0.18 0.00 -0.03 0.00 0.00 56.01 53.95 3fyp n LEU 115 Cb 0.33 -0.39 0.89 0.00 -2.33 0.00 0.00 43.42 41.92 3fyp n LEU 115 CO 0.26 0.78 1.04 0.00 -1.33 0.00 0.00 177.39 178.14 3fyp h ALA 116 N 2.75 1.00 -0.13 -1.18 0.00 -1.07 -0.46 119.26 120.16 3fyp h ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fyp h ALA 116 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3fyp h ALA 116 CO 0.08 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.87 3fyp n ARG 117 N -2.85 2.45 -2.74 0.00 1.74 -1.26 -4.92 116.66 109.08 3fyp n ARG 117 Ca -0.01 -2.26 -0.42 0.00 -0.77 0.00 0.00 57.85 54.39 3fyp n ARG 117 Cb 0.15 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3fyp n ARG 117 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3fyp s GLN 118 N -2.00 3.16 0.23 5.56 0.74 -0.18 -4.89 119.66 122.28 3fyp s GLN 118 Ca 0.24 -0.65 -0.07 0.00 0.05 0.00 0.00 55.36 54.93 3fyp s GLN 118 Cb 0.19 -4.26 0.21 0.00 1.10 0.00 0.00 33.01 30.25 3fyp s GLN 118 CO 0.06 -1.95 1.87 1.15 -0.55 0.00 0.00 175.29 175.88 3fyp h THR 119 N 6.01 1.25 -0.92 -0.34 2.02 -1.91 -0.99 112.91 118.02 3fyp h THR 119 Ca -0.26 -0.56 0.12 0.00 0.77 0.00 0.00 66.41 66.48 3fyp h THR 119 Cb 1.06 -0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 3fyp h THR 119 CO 1.22 0.27 0.55 0.44 0.37 0.00 0.00 175.52 178.37 3fyp h ASP 120 N 1.24 0.78 0.27 4.18 3.32 -1.97 -0.18 116.42 124.05 3fyp h ASP 120 Ca 0.32 0.06 -0.31 0.00 0.02 0.00 0.00 57.03 57.12 3fyp h ASP 120 Cb -0.04 -0.09 0.03 0.00 0.22 0.00 0.00 39.33 39.45 3fyp h ASP 120 CO -0.06 0.40 -1.32 0.25 -1.72 0.00 0.00 179.24 176.79 3fyp h LEU 121 N 0.86 0.78 -0.53 1.55 5.85 -1.58 -2.49 115.31 119.75 3fyp h LEU 121 Ca 0.47 -0.78 0.04 0.00 0.84 0.00 0.00 57.88 58.45 3fyp h LEU 121 Cb 0.50 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3fyp h LEU 121 CO -0.28 1.59 0.28 0.58 -0.34 0.00 0.00 178.44 180.27 3fyp h VAL 122 N 0.19 0.98 -0.53 1.05 2.07 -0.62 0.69 116.25 120.08 3fyp h VAL 122 Ca -0.20 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 3fyp h VAL 122 Cb 2.01 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3fyp h VAL 122 CO 0.25 0.10 -0.07 0.58 0.02 0.00 0.00 177.57 178.44 3fyp h VAL 123 N 0.54 1.27 -0.19 2.57 2.07 -1.01 0.53 116.25 122.03 3fyp h VAL 123 Ca 0.23 -1.21 -0.13 0.00 0.82 0.00 0.00 66.70 66.40 3fyp h VAL 123 Cb 0.12 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3fyp h VAL 123 CO -0.15 0.43 -0.44 0.00 0.02 0.00 0.00 177.57 177.43 3fyp h ALA 124 N 0.93 0.89 -0.17 1.67 0.00 -1.07 -1.35 119.26 120.16 3fyp h ALA 124 Ca 0.14 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3fyp h ALA 124 Cb 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3fyp h ALA 124 CO 0.04 0.64 -0.01 0.52 0.00 0.00 0.00 179.25 180.45 3fyp h MET 125 N 0.38 0.31 -0.70 0.00 2.86 -0.59 -3.08 114.93 114.10 3fyp h MET 125 Ca 0.03 -0.10 0.12 0.00 -2.06 0.00 0.00 59.70 57.69 3fyp h MET 125 Cb 0.92 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.47 3fyp h MET 125 CO 0.08 0.53 0.27 0.00 1.06 0.00 0.00 176.91 178.86 3fyp h ALA 126 N 0.76 0.95 0.00 6.32 0.00 -0.40 -2.53 119.26 124.37 3fyp h ALA 126 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fyp h ALA 126 Cb 0.40 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fyp h ALA 126 CO 0.01 -0.19 0.00 1.63 0.00 0.00 0.00 179.25 180.70 3fyp n LYS 127 N -5.00 0.10 0.24 0.00 5.02 -0.56 -1.84 118.16 116.13 3fyp n LYS 127 Ca 0.12 0.27 0.13 0.00 -2.02 0.00 0.00 58.31 56.81 3fyp n LYS 127 Cb 0.36 -1.67 0.55 0.00 -0.02 0.00 0.00 35.03 34.25 3fyp n LYS 127 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3fyp h THR 128 N 0.00 0.37 0.00 -0.18 1.35 -1.42 -3.47 112.91 109.56 3fyp h THR 128 Ca 0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3fyp h THR 128 Cb 0.39 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3fyp h THR 128 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 3fyp n GLY 129 N 0.06 0.21 3.79 5.82 0.00 -0.77 -5.01 105.19 109.29 3fyp n GLY 129 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3fyp n GLY 129 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fyp s ASN 130 N -2.10 5.07 0.20 1.61 2.47 -1.26 -4.98 114.94 115.95 3fyp s ASN 130 Ca 0.00 1.78 -0.31 0.00 0.42 0.00 0.00 52.86 54.75 3fyp s ASN 130 Cb 0.00 -2.52 -0.10 0.00 -1.45 0.00 0.00 41.25 37.18 3fyp s ASN 130 CO 0.00 -1.65 1.49 -0.69 -3.72 0.00 0.00 177.10 172.53 3fyp s VAL 131 N -2.81 2.68 -0.08 -5.21 1.01 -1.26 -4.77 120.40 109.97 3fyp s VAL 131 Ca 0.61 0.53 0.05 0.00 0.00 0.00 0.00 61.98 63.17 3fyp s VAL 131 Cb -0.16 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3fyp s VAL 131 CO 0.51 0.06 -0.23 -0.69 0.00 0.00 0.00 175.10 174.75 3fyp s VAL 132 N 0.57 2.21 -0.25 2.92 1.01 -0.33 -1.66 120.40 124.87 3fyp s VAL 132 Ca 0.64 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 3fyp s VAL 132 Cb -0.42 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3fyp s VAL 132 CO 0.37 0.56 0.10 0.21 0.00 0.00 0.00 175.10 176.35 3fyp s ASN 133 N -0.01 5.40 -0.40 3.32 2.47 -0.10 -0.13 114.94 125.49 3fyp s ASN 133 Ca -0.08 -0.14 -0.15 0.00 0.42 0.00 0.00 52.86 52.91 3fyp s ASN 133 Cb -0.15 -1.98 0.02 0.00 -1.45 0.00 0.00 41.25 37.69 3fyp s ASN 133 CO 0.05 -0.03 0.29 -0.63 -3.72 0.00 0.00 177.10 173.07 3fyp s ILE 134 N 1.60 5.26 -0.14 -5.21 1.01 0.10 -0.85 121.20 122.98 3fyp s ILE 134 Ca 0.06 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 3fyp s ILE 134 Cb -0.15 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3fyp s ILE 134 CO 0.06 -0.28 1.00 -0.54 0.00 0.00 0.00 174.94 175.17 3fyp s LYS 135 N 1.69 4.38 -0.21 2.79 1.02 -1.02 -0.97 119.74 127.41 3fyp s LYS 135 Ca 0.05 1.35 -0.29 0.00 0.02 0.00 0.00 55.97 57.10 3fyp s LYS 135 Cb -0.19 -3.57 -0.00 0.00 -0.52 0.00 0.00 37.83 33.55 3fyp s LYS 135 CO 0.10 -0.38 1.17 0.21 -0.92 0.00 0.00 175.35 175.53 3fyp s LYS 136 N 2.27 4.22 0.58 1.68 2.20 -0.48 -4.17 119.74 126.04 3fyp s LYS 136 Ca 0.46 1.49 -0.20 0.00 -0.36 0.00 0.00 55.97 57.36 3fyp s LYS 136 Cb -0.17 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 3fyp s LYS 136 CO 0.15 -0.71 1.33 -2.14 -0.36 0.00 0.00 175.35 173.62 3fyp s PRO 137 N 3.42 2.94 0.35 4.03 0.02 -1.26 -4.40 135.00 140.11 3fyp s PRO 137 Ca 0.50 2.15 0.26 0.00 0.02 0.00 0.00 61.00 63.94 3fyp s PRO 137 Cb -0.18 -2.10 1.21 0.00 0.02 0.00 0.00 34.50 33.44 3fyp s PRO 137 CO 0.12 -1.32 1.79 -0.56 -0.33 0.00 0.00 177.00 176.70 3fyp h GLN 138 N 1.13 0.00 -0.05 5.54 3.07 -1.92 -2.19 115.11 120.68 3fyp h GLN 138 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.23 3fyp h GLN 138 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 3fyp h GLN 138 CO 0.56 0.00 0.00 1.97 0.09 0.00 0.00 178.83 181.45 3fyp n PHE 139 N -2.44 0.03 -3.94 0.06 1.16 -1.26 -1.05 117.46 110.02 3fyp n PHE 139 Ca 0.00 -0.02 -0.35 0.00 -1.87 0.00 0.00 57.45 55.21 3fyp n PHE 139 Cb 0.17 -0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 37.96 3fyp n PHE 139 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3fyp s LEU 140 N -1.66 4.07 0.57 5.98 2.01 -0.83 -5.03 118.68 123.80 3fyp s LEU 140 Ca 0.24 0.25 -0.16 0.00 0.01 0.00 0.00 54.13 54.47 3fyp s LEU 140 Cb 0.17 -2.01 -0.05 0.00 0.01 0.00 0.00 46.19 44.31 3fyp s LEU 140 CO 0.25 0.28 1.05 -0.94 1.01 0.00 0.00 176.35 178.00 3fyp s SER 141 N -0.24 5.91 0.52 2.29 1.04 -1.26 -4.82 113.70 117.14 3fyp s SER 141 Ca 0.09 1.82 0.20 0.00 0.48 0.00 0.00 55.95 58.54 3fyp s SER 141 Cb -0.12 -2.54 1.35 0.00 0.10 0.00 0.00 66.02 64.81 3fyp s SER 141 CO 0.01 -1.08 2.13 1.55 0.98 0.00 0.00 173.24 176.83 3fyp h PRO 142 N 0.63 0.00 0.00 4.02 0.13 -1.97 -1.69 132.00 133.13 3fyp h PRO 142 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3fyp h PRO 142 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3fyp h PRO 142 CO 0.58 0.06 0.00 -1.13 -0.23 0.00 0.00 178.00 177.28 3fyp n SER 143 N -4.24 0.28 0.04 1.44 3.41 -1.26 -2.55 113.62 110.74 3fyp n SER 143 Ca -0.03 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 3fyp n SER 143 Cb 0.14 -0.62 0.14 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.79 0.26 0.22 4.33 1.13 -0.63 -4.06 117.38 116.82 3fyp n GLN 144 Ca 0.04 0.05 0.06 0.00 -1.94 0.00 0.00 57.00 55.21 3fyp n GLN 144 Cb 0.26 -1.63 0.53 0.00 0.11 0.00 0.00 30.24 29.51 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 0.05 0.00 -1.09 2.86 -1.59 -2.31 114.93 112.84 3fyp h MET 145 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3fyp h MET 145 Cb 0.71 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 3fyp h MET 145 CO 0.00 0.15 -0.02 1.57 1.06 0.00 0.00 176.91 179.67 3fyp h LYS 146 N 0.05 0.00 -0.13 1.72 -0.00 -1.79 -1.31 116.57 115.11 3fyp h LYS 146 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 60.65 60.50 3fyp h LYS 146 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.42 3fyp h LYS 146 CO 0.01 0.02 -0.60 -0.91 -0.00 0.00 0.00 179.45 177.97 3fyp h ASN 147 N 0.00 0.50 -0.08 7.07 2.35 -1.69 0.52 115.58 124.25 3fyp h ASN 147 Ca -0.00 -0.28 -0.08 0.00 -0.55 0.00 0.00 56.30 55.38 3fyp h ASN 147 Cb 0.04 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3fyp h ASN 147 CO 0.00 0.98 -0.28 0.40 -1.65 0.00 0.00 177.43 176.88 3fyp h ILE 148 N 0.33 1.41 -0.94 2.81 2.04 -1.40 -2.96 117.51 118.81 3fyp h ILE 148 Ca -0.00 -1.65 0.11 0.00 1.00 0.00 0.00 64.86 64.31 3fyp h ILE 148 Cb 1.13 2.26 -0.08 0.00 -0.74 0.00 0.00 36.82 39.39 3fyp h ILE 148 CO 0.10 0.48 0.58 0.58 0.00 0.00 0.00 178.15 179.89 3fyp h VAL 149 N -0.15 0.93 -0.43 1.67 2.07 -1.11 -1.83 116.25 117.40 3fyp h VAL 149 Ca -0.01 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3fyp h VAL 149 Cb 0.91 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3fyp h VAL 149 CO 0.06 0.17 0.26 -0.08 0.02 0.00 0.00 177.57 178.00 3fyp h GLU 150 N 0.94 0.59 -0.56 1.57 4.57 -0.87 -0.38 114.58 120.44 3fyp h GLU 150 Ca 0.46 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.54 3fyp h GLU 150 Cb 0.42 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3fyp h GLU 150 CO -0.25 0.44 0.20 0.87 -1.18 0.00 0.00 179.01 179.09 3fyp h LYS 151 N 0.57 0.82 -0.42 1.92 1.57 -1.19 0.13 116.57 119.98 3fyp h LYS 151 Ca 0.16 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3fyp h LYS 151 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3fyp h LYS 151 CO -0.03 0.69 0.02 0.74 -0.57 0.00 0.00 179.45 180.30 3fyp h PHE 152 N 0.81 0.80 -0.58 -1.35 -1.00 -0.81 -2.59 116.94 112.22 3fyp h PHE 152 Ca 0.19 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 3fyp h PHE 152 Cb 0.20 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 3fyp h PHE 152 CO 0.01 0.79 0.32 0.45 -1.61 0.00 0.00 178.31 178.27 3fyp h HIS 153 N 0.58 0.79 -0.04 -0.55 3.86 -0.58 -1.15 115.15 118.06 3fyp h HIS 153 Ca 0.12 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3fyp h HIS 153 Cb 0.46 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 3fyp h HIS 153 CO 0.03 0.57 -0.00 0.93 0.86 0.00 0.00 177.93 180.33 3fyp h GLU 154 N 0.78 0.06 -0.36 2.45 5.08 -0.63 0.65 114.58 122.61 3fyp h GLU 154 Ca 0.20 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3fyp h GLU 154 Cb 0.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3fyp h GLU 154 CO -0.03 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 3fyp n ALA 155 N -2.53 2.45 -0.33 3.43 0.00 -0.52 -4.93 120.51 118.08 3fyp n ALA 155 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3fyp n ALA 155 Cb 0.11 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.36 0.81 2.96 0.00 0.00 0.22 -4.48 105.19 106.06 3fyp n GLY 156 Ca 0.18 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.16 2.62 0.00 1.61 3.84 -0.79 -4.97 114.94 115.09 3fyp s ASN 157 Ca 0.00 -0.50 0.12 0.00 0.21 0.00 0.00 52.86 52.69 3fyp s ASN 157 Cb 0.00 -1.04 0.20 0.00 -0.55 0.00 0.00 41.25 39.87 3fyp s ASN 157 CO 0.00 -0.11 1.06 0.61 -2.79 0.00 0.00 177.10 175.87 3fyp n GLY 158 N 4.83 1.14 3.19 1.21 0.00 -1.26 -3.48 105.19 110.82 3fyp n GLY 158 Ca -0.14 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 0.63 3.47 -5.02 1.61 5.02 -1.26 -4.94 118.16 117.66 3fyp n LYS 159 Ca 0.09 -3.68 -0.28 0.00 -2.02 0.00 0.00 58.31 52.43 3fyp n LYS 159 Cb 0.36 -3.01 -0.16 0.00 -0.02 0.00 0.00 35.03 32.21 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 0.89 2.01 -0.10 -0.35 1.43 -1.26 -1.19 118.68 120.11 3fyp s LEU 160 Ca 0.42 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3fyp s LEU 160 Cb 0.03 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 3fyp s LEU 160 CO 0.00 0.22 -0.15 -0.63 0.23 0.00 0.00 176.35 176.03 3fyp s ILE 161 N -0.27 2.94 -0.19 -0.59 1.01 0.82 -4.20 121.20 120.72 3fyp s ILE 161 Ca 0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 3fyp s ILE 161 Cb -0.10 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3fyp s ILE 161 CO 0.01 0.55 0.06 -0.76 0.00 0.00 0.00 174.94 174.80 3fyp s LEU 162 N -0.02 3.77 -0.24 2.97 1.43 -0.40 0.02 118.68 126.21 3fyp s LEU 162 Ca -0.04 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3fyp s LEU 162 Cb -0.14 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.16 3fyp s LEU 162 CO 0.04 0.15 -0.11 0.00 0.23 0.00 0.00 176.35 176.66 3fyp s GLU 164 N 1.20 4.59 -0.01 0.00 2.56 -0.20 -1.38 118.70 125.47 3fyp s GLU 164 Ca -0.03 1.70 0.06 0.00 0.00 0.00 0.00 54.97 56.69 3fyp s GLU 164 Cb -0.18 -3.29 0.10 0.00 2.00 0.00 0.00 34.13 32.76 3fyp s GLU 164 CO -0.07 0.07 1.04 2.89 -0.56 0.00 0.00 175.26 178.63 3fyp n ARG 165 N 2.47 0.06 0.00 4.30 1.85 -1.26 -0.56 116.66 123.53 3fyp n ARG 165 Ca 0.03 -1.27 0.00 0.00 -1.00 0.00 0.00 57.85 55.60 3fyp n ARG 165 Cb 0.46 -0.45 0.00 0.00 -1.05 0.00 0.00 32.46 31.42 3fyp n ARG 165 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fyp n GLY 166 N 0.03 -0.76 3.01 2.89 0.00 -1.26 -3.60 105.19 105.49 3fyp n GLY 166 Ca 0.02 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.37 0.97 0.19 1.61 0.01 -0.58 -4.06 113.70 109.47 3fyp s SER 167 Ca 0.00 -0.15 -0.33 0.00 1.31 0.00 0.00 55.95 56.78 3fyp s SER 167 Cb 0.00 -0.11 -0.13 0.00 0.21 0.00 0.00 66.02 65.99 3fyp s SER 167 CO 0.00 0.10 1.68 -1.20 0.41 0.00 0.00 173.24 174.23 3fyp n SER 168 N 2.89 3.73 -3.68 2.44 7.64 -0.22 -1.60 113.62 124.82 3fyp n SER 168 Ca -0.13 1.06 -0.29 0.00 1.01 0.00 0.00 58.87 60.52 3fyp n SER 168 Cb 0.57 -1.53 -0.13 0.00 -1.01 0.00 0.00 64.21 62.11 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 1.15 1.72 0.00 1.43 5.36 -0.68 -4.83 117.98 122.13 3fyp s PHE 169 Ca 0.76 -2.16 0.00 0.00 -0.96 0.00 0.00 56.93 54.58 3fyp s PHE 169 Cb -0.56 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.43 3fyp s PHE 169 CO 0.34 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.70 3fyp n GLY 170 N 3.88 1.88 3.69 13.12 0.00 -1.26 -4.06 105.19 122.44 3fyp n GLY 170 Ca 0.07 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 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 3.44 0.00 1.61 2.02 -1.26 -4.58 117.35 118.58 3fyp s TYR 171 Ca 0.00 0.82 0.00 0.00 -0.37 0.00 0.00 57.07 57.52 3fyp s TYR 171 Cb 0.00 -2.60 0.00 0.00 -0.40 0.00 0.00 41.96 38.96 3fyp s TYR 171 CO 0.00 0.03 0.00 -0.25 -1.57 0.00 0.00 175.55 173.76 3fyp n ASP 172 N 4.23 0.00 -4.76 2.29 8.00 -1.26 -4.92 116.55 120.14 3fyp n ASP 172 Ca -0.06 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.07 3fyp n ASP 172 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.64 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 5.40 0.04 -2.24 0.01 -1.26 -4.89 114.94 112.00 3fyp s ASN 173 Ca 0.00 2.47 0.08 0.00 -0.71 0.00 0.00 52.86 54.70 3fyp s ASN 173 Cb 0.00 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 3fyp s ASN 173 CO 0.00 -1.46 -0.21 -0.76 -1.51 0.00 0.00 177.10 173.16 3fyp s LEU 174 N -3.72 2.47 -0.04 0.60 1.43 -1.26 -1.68 118.68 116.47 3fyp s LEU 174 Ca 0.73 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 3fyp s LEU 174 Cb -0.33 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.45 3fyp s LEU 174 CO 0.37 0.26 -0.13 -0.69 0.23 0.00 0.00 176.35 176.39 3fyp s VAL 175 N -0.88 1.13 -0.35 -1.59 1.01 -0.63 -4.92 120.40 114.17 3fyp s VAL 175 Ca 0.14 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 3fyp s VAL 175 Cb -0.10 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3fyp s VAL 175 CO 0.04 0.34 0.62 -0.69 0.00 0.00 0.00 175.10 175.41 3fyp s VAL 176 N 0.17 4.91 -0.63 2.92 1.01 -1.26 -1.53 120.40 125.99 3fyp s VAL 176 Ca -0.05 0.54 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 3fyp s VAL 176 Cb -0.11 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.25 3fyp s VAL 176 CO 0.02 -0.30 1.18 -0.62 0.00 0.00 0.00 175.10 175.38 3fyp s ASP 177 N 1.78 6.32 0.58 3.32 -1.08 -1.26 -4.88 116.67 121.45 3fyp s ASP 177 Ca 0.23 -0.20 0.38 0.00 -0.52 0.00 0.00 52.55 52.45 3fyp s ASP 177 Cb -0.15 -2.53 2.08 0.00 -1.46 0.00 0.00 42.92 40.86 3fyp s ASP 177 CO 0.15 -1.57 2.17 0.24 0.52 0.00 0.00 175.17 176.68 3fyp h MET 178 N 9.67 0.00 0.00 4.34 2.86 -1.98 -0.91 114.93 128.91 3fyp h MET 178 Ca -0.26 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 3fyp h MET 178 Cb 1.06 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 3fyp h MET 178 CO 1.20 0.00 -0.07 -0.07 1.06 0.00 0.00 176.91 179.03 3fyp h LEU 179 N 0.00 0.00 -1.56 1.22 3.38 -2.02 -3.32 115.31 113.01 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 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3fyp h LEU 179 CO 0.00 0.07 -0.21 1.23 0.09 0.00 0.00 178.44 179.62 3fyp h GLY 180 N 3.86 0.00 0.96 0.83 0.00 -1.57 -2.88 103.07 104.28 3fyp h GLY 180 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3fyp h GLY 180 CO 0.01 0.00 0.18 0.74 0.00 0.00 0.00 176.54 177.47 3fyp h PHE 181 N 0.00 0.69 -0.39 5.60 -1.00 -1.73 -0.67 116.94 119.44 3fyp h PHE 181 Ca -0.00 -0.05 -0.13 0.00 2.81 0.00 0.00 57.97 60.60 3fyp h PHE 181 Cb 0.51 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3fyp h PHE 181 CO 0.00 0.59 -0.26 0.78 -1.61 0.00 0.00 178.31 177.81 3fyp h GLY 182 N 0.59 0.89 1.11 -1.45 0.00 -1.76 -0.75 103.07 101.69 3fyp h GLY 182 Ca 0.15 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 3fyp h GLY 182 CO -0.01 0.73 0.17 -2.08 0.00 0.00 0.00 176.54 175.34 3fyp h VAL 183 N 0.71 1.26 -0.37 4.60 2.07 -1.23 -0.54 116.25 122.75 3fyp h VAL 183 Ca 0.09 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 3fyp h VAL 183 Cb 0.80 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3fyp h VAL 183 CO 0.07 0.37 0.00 0.24 0.02 0.00 0.00 177.57 178.27 3fyp h MET 184 N 1.05 0.64 -0.55 1.57 2.86 -0.74 -1.33 114.93 118.42 3fyp h MET 184 Ca 0.22 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3fyp h MET 184 Cb 0.37 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3fyp h MET 184 CO 0.00 0.75 0.35 0.87 1.06 0.00 0.00 176.91 179.94 3fyp h LYS 185 N 0.46 0.69 -0.00 1.72 1.57 -0.96 -0.54 116.57 119.52 3fyp h LYS 185 Ca 0.10 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 3fyp h LYS 185 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3fyp h LYS 185 CO 0.02 0.46 -0.81 0.37 -0.57 0.00 0.00 179.45 178.92 3fyp h GLN 186 N 0.71 0.04 0.00 3.15 5.75 -0.87 -0.40 115.11 123.50 3fyp h GLN 186 Ca 0.21 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3fyp h GLN 186 Cb -0.05 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.51 3fyp h GLN 186 CO -0.06 0.82 -1.37 0.25 -2.65 0.00 0.00 178.83 175.82 3fyp n THR 187 N -3.61 0.03 -1.25 2.39 -2.24 -0.52 -4.40 114.28 104.68 3fyp n THR 187 Ca -0.01 -0.23 0.08 0.00 -2.27 0.00 0.00 64.05 61.61 3fyp n THR 187 Cb 0.77 0.48 0.18 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.22 0.25 3.50 0.00 0.00 -1.21 -3.17 105.19 103.34 3fyp n GLY 189 Ca 0.19 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 1.01 -4.77 -4.71 1.61 5.15 -0.16 -4.11 115.26 109.28 3fyp n ASN 190 Ca -0.06 -0.51 -0.34 0.00 -0.60 0.00 0.00 54.58 53.06 3fyp n ASN 190 Cb 0.49 -3.86 0.10 0.00 -0.53 0.00 0.00 39.78 35.98 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 3.26 0.07 1.20 1.43 -1.19 -0.76 118.68 115.82 3fyp s LEU 191 Ca 0.48 2.36 -0.34 0.00 -1.03 0.00 0.00 54.13 55.60 3fyp s LEU 191 Cb -0.24 -4.59 -0.13 0.00 0.03 0.00 0.00 46.19 41.26 3fyp s LEU 191 CO 0.60 -2.40 1.68 -2.65 0.23 0.00 0.00 176.35 173.81 3fyp n PRO 192 N -2.92 2.13 -4.33 1.29 -0.02 -1.25 -4.85 135.00 125.06 3fyp n PRO 192 Ca 0.13 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 62.05 3fyp n PRO 192 Cb 0.50 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 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 2.04 3.58 0.19 -1.45 1.01 -1.26 -1.27 120.40 123.23 3fyp s VAL 193 Ca 0.84 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 62.45 3fyp s VAL 193 Cb -0.69 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3fyp s VAL 193 CO 0.43 0.47 -0.18 0.27 0.00 0.00 0.00 175.10 176.10 3fyp s ILE 194 N 0.71 1.90 -0.23 2.22 -4.36 -0.13 -1.08 121.20 120.23 3fyp s ILE 194 Ca -0.03 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.34 3fyp s ILE 194 Cb -0.15 -1.95 0.05 0.00 1.25 0.00 0.00 42.46 41.66 3fyp s ILE 194 CO 0.02 -0.38 -0.14 0.12 0.24 0.00 0.00 174.94 174.81 3fyp s PHE 195 N -2.28 3.10 -0.91 1.37 5.36 -0.79 -1.03 117.98 122.80 3fyp s PHE 195 Ca 0.19 -2.08 -0.23 0.00 -0.96 0.00 0.00 56.93 53.85 3fyp s PHE 195 Cb -0.05 -1.93 0.07 0.00 -0.34 0.00 0.00 43.02 40.77 3fyp s PHE 195 CO 0.08 -0.85 1.29 0.34 -1.46 0.00 0.00 175.22 174.61 3fyp s ASP 196 N 1.17 6.43 0.18 6.13 -1.08 0.27 -0.56 116.67 129.21 3fyp s ASP 196 Ca -0.04 -1.35 0.03 0.00 -0.52 0.00 0.00 52.55 50.66 3fyp s ASP 196 Cb -0.18 -2.51 0.06 0.00 -1.46 0.00 0.00 42.92 38.83 3fyp s ASP 196 CO -0.08 -1.46 1.43 -0.37 0.52 0.00 0.00 175.17 175.21 3fyp h VAL 197 N 6.34 1.46 0.01 1.11 -1.51 -1.67 -2.80 116.25 119.20 3fyp h VAL 197 Ca 0.05 -2.44 -0.00 0.00 -1.23 0.00 0.00 66.70 63.08 3fyp h VAL 197 Cb 1.03 2.33 0.00 0.00 -2.13 0.00 0.00 31.29 32.52 3fyp h VAL 197 CO 1.30 0.71 -0.01 0.74 -1.23 0.00 0.00 177.57 179.09 3fyp h THR 198 N 0.13 1.09 -0.00 7.19 2.02 -1.88 -2.45 112.91 119.00 3fyp h THR 198 Ca -0.03 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3fyp h THR 198 Cb 1.39 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 3fyp h THR 198 CO 0.12 0.08 -0.16 1.41 0.37 0.00 0.00 175.52 177.34 3fyp n HIS 199 N -5.03 0.00 0.70 3.16 8.25 -1.24 -2.64 115.22 118.42 3fyp n HIS 199 Ca -0.08 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.51 3fyp n HIS 199 Cb 0.10 -0.21 0.33 0.00 1.12 0.00 0.00 29.99 31.32 3fyp n HIS 199 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3fyp n SER 200 N -1.03 0.62 0.00 0.41 7.64 -0.94 -4.43 113.62 115.90 3fyp n SER 200 Ca 0.12 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.30 3fyp n SER 200 Cb 0.30 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.01 1.48 0.00 -3.43 4.77 -1.08 -4.75 117.00 111.97 3fyp n LEU 201 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3fyp n LEU 201 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3fyp n LEU 201 CO 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.39 3fyp n GLN 202 N -0.95 0.00 0.00 3.23 1.13 -1.25 -4.65 117.38 114.89 3fyp n GLN 202 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3fyp n GLN 202 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3fyp n GLN 202 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fyp n GLY 212 N -1.37 0.00 0.00 1.08 0.00 -1.26 -5.10 105.19 98.54 3fyp n GLY 212 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.35 -0.02 0.00 -1.26 0.69 105.19 104.95 3fyp n GLY 213 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3fyp n GLY 213 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fyp h ARG 214 N 0.00 0.94 -0.43 1.61 9.65 -2.01 -1.16 114.38 122.98 3fyp h ARG 214 Ca 0.00 -0.06 -0.15 0.00 -1.10 0.00 0.00 59.98 58.68 3fyp h ARG 214 Cb 0.00 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.36 3fyp h ARG 214 CO 0.00 0.62 -0.30 0.00 2.80 0.00 0.00 179.97 183.09 3fyp h ARG 215 N 0.97 0.97 0.00 0.20 -0.00 -1.90 -0.84 114.38 113.77 3fyp h ARG 215 Ca 0.28 -0.46 -0.14 0.00 -0.50 0.00 0.00 59.98 59.16 3fyp h ARG 215 Cb -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 29.87 3fyp h ARG 215 CO -0.07 1.12 -0.66 0.00 0.00 0.00 0.00 179.97 180.37 3fyp h ALA 216 N 0.84 0.81 -0.15 0.04 0.00 0.77 -2.16 119.26 119.40 3fyp h ALA 216 Ca 0.09 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 3fyp h ALA 216 Cb 0.89 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.58 3fyp h ALA 216 CO 0.08 0.83 -0.61 1.96 0.00 0.00 0.00 179.25 181.51 3fyp h GLN 217 N 0.00 0.68 -0.78 0.00 4.20 -1.11 -2.42 115.11 115.67 3fyp h GLN 217 Ca -0.01 -0.53 -0.02 0.00 0.06 0.00 0.00 58.65 58.15 3fyp h GLN 217 Cb 1.25 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 29.09 3fyp h GLN 217 CO 0.09 1.15 0.40 0.00 -0.67 0.00 0.00 178.83 179.79 3fyp h ALA 218 N 0.53 1.01 -0.12 3.87 0.00 -0.88 -0.59 119.26 123.08 3fyp h ALA 218 Ca -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3fyp h ALA 218 Cb 1.24 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3fyp h ALA 218 CO 0.13 0.55 -0.02 1.25 0.00 0.00 0.00 179.25 181.15 3fyp h LEU 219 N 1.10 0.23 -0.62 0.00 5.85 -1.37 -0.18 115.31 120.32 3fyp h LEU 219 Ca 0.27 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3fyp h LEU 219 Cb 0.08 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3fyp h LEU 219 CO -0.04 0.53 0.39 0.44 -0.34 0.00 0.00 178.44 179.42 3fyp h ASP 220 N -0.07 0.74 -0.33 1.25 3.32 -1.21 -0.76 116.42 119.36 3fyp h ASP 220 Ca 0.03 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 3fyp h ASP 220 Cb 0.42 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3fyp h ASP 220 CO 0.01 0.57 -0.24 0.25 -1.72 0.00 0.00 179.24 178.11 3fyp h LEU 221 N 0.84 0.79 -0.27 1.55 5.85 -1.03 -1.29 115.31 121.74 3fyp h LEU 221 Ca 0.22 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3fyp h LEU 221 Cb -0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 3fyp h LEU 221 CO -0.04 1.06 0.14 0.00 -0.34 0.00 0.00 178.44 179.26 3fyp h ALA 222 N 0.75 0.35 -0.49 1.25 0.00 -0.82 -1.62 119.26 118.68 3fyp h ALA 222 Ca 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fyp h ALA 222 Cb 0.80 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3fyp h ALA 222 CO 0.06 -0.11 0.31 -0.07 0.00 0.00 0.00 179.25 179.44 3fyp h LEU 223 N 0.32 0.53 -0.57 0.00 3.38 -1.05 -1.41 115.31 116.51 3fyp h LEU 223 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3fyp h LEU 223 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3fyp h LEU 223 CO -0.01 0.38 0.35 0.00 0.09 0.00 0.00 178.44 179.24 3fyp h ALA 224 N 1.19 0.72 -0.34 1.53 0.00 -1.09 -1.54 119.26 119.75 3fyp h ALA 224 Ca 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fyp h ALA 224 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3fyp h ALA 224 CO -0.06 0.20 0.14 0.78 0.00 0.00 0.00 179.25 180.31 3fyp h GLY 225 N 0.77 0.54 2.00 0.00 0.00 -1.03 -2.86 103.07 102.49 3fyp h GLY 225 Ca 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3fyp h GLY 225 CO -0.04 0.28 -0.02 -0.33 0.00 0.00 0.00 176.54 176.43 3fyp h MET 226 N 0.41 0.00 0.00 4.80 2.07 -1.03 -1.27 114.93 119.91 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 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.91 3fyp h MET 226 CO -0.01 0.02 0.00 0.00 1.07 0.00 0.00 176.91 177.99 3fyp h ALA 227 N 1.98 1.00 -0.01 6.32 0.00 -1.04 -2.00 119.26 125.51 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 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3fyp h ALA 227 CO 0.00 0.00 -0.08 0.25 0.00 0.00 0.00 179.25 179.42 3fyp n THR 228 N -2.48 0.00 -1.45 0.00 -2.24 -0.48 -4.97 114.28 102.66 3fyp n THR 228 Ca -0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3fyp n THR 228 Cb 0.15 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.25 0.00 -4.46 -0.78 0.63 -0.75 -4.95 116.66 106.10 3fyp n ARG 229 Ca 0.17 0.48 -0.24 0.00 -0.92 0.00 0.00 57.85 57.34 3fyp n ARG 229 Cb 0.33 -1.30 -0.10 0.00 0.45 0.00 0.00 32.46 31.84 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 -0.66 2.60 0.22 6.15 1.43 -1.26 -4.87 118.68 122.28 3fyp s LEU 230 Ca 0.00 -1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 52.07 3fyp s LEU 230 Cb 0.00 -1.12 0.20 0.00 0.03 0.00 0.00 46.19 45.30 3fyp s LEU 230 CO 0.00 0.04 1.59 0.00 0.23 0.00 0.00 176.35 178.22 3fyp h ALA 231 N 2.32 0.84 -2.32 4.21 0.00 -1.25 -3.42 119.26 119.65 3fyp h ALA 231 Ca -0.41 -0.43 0.20 0.00 0.00 0.00 0.00 54.91 54.27 3fyp h ALA 231 Cb 1.26 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 3fyp h ALA 231 CO 0.59 0.64 0.60 0.20 0.00 0.00 0.00 179.25 181.28 3fyp s GLY 232 N -4.02 -0.08 -0.04 0.00 0.00 -1.20 -1.37 107.32 100.62 3fyp s GLY 232 Ca -0.08 -0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.63 3fyp s GLY 232 CO 0.83 1.51 -0.11 -2.27 0.00 0.00 0.00 173.10 173.06 3fyp s LEU 233 N -3.22 1.76 -0.20 0.66 2.96 -0.60 -1.88 118.68 118.16 3fyp s LEU 233 Ca 0.18 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3fyp s LEU 233 Cb -0.01 -0.66 0.03 0.00 0.50 0.00 0.00 46.19 46.04 3fyp s LEU 233 CO 0.03 0.07 -0.17 0.12 -1.32 0.00 0.00 176.35 175.08 3fyp s PHE 234 N 0.28 2.81 0.07 5.38 2.19 0.27 -0.59 117.98 128.39 3fyp s PHE 234 Ca -0.05 -1.76 -0.04 0.00 0.33 0.00 0.00 56.93 55.41 3fyp s PHE 234 Cb -0.11 -1.88 -0.03 0.00 -1.31 0.00 0.00 43.02 39.70 3fyp s PHE 234 CO 0.01 -0.81 0.06 -0.48 1.83 0.00 0.00 175.22 175.83 3fyp s LEU 235 N 1.27 2.04 0.00 6.12 0.05 0.45 -2.00 118.68 126.61 3fyp s LEU 235 Ca 0.02 -0.89 0.07 0.00 0.05 0.00 0.00 54.13 53.38 3fyp s LEU 235 Cb -0.15 0.52 -0.02 0.00 -2.05 0.00 0.00 46.19 44.49 3fyp s LEU 235 CO -0.11 -0.66 -0.22 -1.61 -0.55 0.00 0.00 176.35 173.20 3fyp s GLU 236 N -3.91 1.70 0.33 1.48 2.02 -1.26 -2.70 118.70 116.36 3fyp s GLU 236 Ca 0.08 -0.85 0.09 0.00 0.02 0.00 0.00 54.97 54.30 3fyp s GLU 236 Cb 0.07 -1.71 -0.05 0.00 0.10 0.00 0.00 34.13 32.55 3fyp s GLU 236 CO -0.09 0.46 0.08 -1.54 0.02 0.00 0.00 175.26 174.18 3fyp s SER 237 N -0.73 4.50 -0.16 -0.19 1.04 -0.12 -0.83 113.70 117.21 3fyp s SER 237 Ca 0.09 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.67 3fyp s SER 237 Cb -0.09 -0.69 -0.09 0.00 0.10 0.00 0.00 66.02 65.26 3fyp s SER 237 CO 0.00 -0.23 -0.17 1.41 0.98 0.00 0.00 173.24 175.23 3fyp n HIS 238 N -1.05 0.00 -0.19 5.02 8.25 -1.26 -4.60 115.22 121.39 3fyp n HIS 238 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3fyp n HIS 238 Cb 0.61 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 31.13 3fyp n HIS 238 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fyp n ALA 251 N -3.28 -2.15 -1.81 -1.41 0.00 -1.26 -3.56 120.51 107.04 3fyp n ALA 251 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 3fyp n ALA 251 Cb 0.77 -0.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 3fyp n ALA 251 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fyp s LEU 252 N -0.33 4.39 0.18 0.00 2.96 -0.01 -4.98 118.68 120.88 3fyp s LEU 252 Ca 0.00 2.76 -0.31 0.00 -0.22 0.00 0.00 54.13 56.37 3fyp s LEU 252 Cb 0.00 -3.64 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 3fyp s LEU 252 CO 0.00 -0.68 1.40 -2.84 -1.32 0.00 0.00 176.35 172.91 3fyp s PRO 253 N -1.27 4.32 0.32 0.98 0.02 -1.26 -4.30 135.00 133.81 3fyp s PRO 253 Ca 0.54 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.76 3fyp s PRO 253 Cb -0.42 -3.19 0.55 0.00 0.02 0.00 0.00 34.50 31.46 3fyp s PRO 253 CO 0.51 -0.40 1.83 1.25 -0.33 0.00 0.00 177.00 179.86 3fyp h LEU 254 N 5.99 0.48 0.00 -5.54 5.85 -1.94 -2.66 115.31 117.48 3fyp h LEU 254 Ca -0.44 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3fyp h LEU 254 Cb 1.21 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3fyp h LEU 254 CO 0.82 0.60 0.00 0.00 -0.34 0.00 0.00 178.44 179.53 3fyp n HIS 255 N -4.23 0.00 -0.42 1.25 1.44 -1.26 -2.45 115.22 109.55 3fyp n HIS 255 Ca 0.01 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.80 3fyp n HIS 255 Cb 0.29 -0.46 0.24 0.00 0.12 0.00 0.00 29.99 30.18 3fyp n HIS 255 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3fyp n LEU 256 N -1.46 3.58 -0.18 2.39 4.77 -1.00 -4.51 117.00 120.59 3fyp n LEU 256 Ca 0.08 -2.24 -0.08 0.00 -0.03 0.00 0.00 56.01 53.73 3fyp n LEU 256 Cb 0.30 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3fyp n LEU 256 CO 0.25 0.78 0.94 0.25 -1.33 0.00 0.00 177.39 178.28 3fyp h LEU 257 N 2.73 0.72 -0.47 2.23 5.85 -1.57 -2.11 115.31 122.69 3fyp h LEU 257 Ca 0.00 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3fyp h LEU 257 Cb 1.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3fyp h LEU 257 CO 0.08 0.71 0.22 -0.08 -0.34 0.00 0.00 178.44 179.03 3fyp h GLU 258 N 0.69 0.69 -0.61 1.25 4.81 -1.82 -0.62 114.58 118.97 3fyp h GLU 258 Ca 0.17 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3fyp h GLU 258 Cb 0.23 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3fyp h GLU 258 CO -0.01 0.59 0.06 0.22 -0.73 0.00 0.00 179.01 179.14 3fyp h ASP 259 N 0.62 1.00 0.26 1.04 3.58 -1.85 -0.40 116.42 120.66 3fyp h ASP 259 Ca 0.16 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 3fyp h ASP 259 Cb 0.14 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.92 3fyp h ASP 259 CO -0.02 1.03 -0.12 0.15 -2.88 0.00 0.00 179.24 177.40 3fyp h PHE 260 N 0.94 -0.32 -0.23 0.28 3.57 -1.11 -3.04 116.94 117.04 3fyp h PHE 260 Ca 0.18 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3fyp h PHE 260 Cb 0.48 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3fyp h PHE 260 CO 0.04 -0.08 0.03 -0.07 -2.23 0.00 0.00 178.31 176.00 3fyp h LEU 261 N -0.51 0.30 -1.01 0.59 3.38 -0.97 -1.57 115.31 115.52 3fyp h LEU 261 Ca -0.04 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3fyp h LEU 261 Cb 0.38 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3fyp h LEU 261 CO 0.06 0.33 0.67 0.40 0.09 0.00 0.00 178.44 179.98 3fyp h ILE 262 N 0.33 1.23 -0.01 1.22 2.04 -1.03 0.42 117.51 121.70 3fyp h ILE 262 Ca 0.08 -0.46 -0.22 0.00 1.00 0.00 0.00 64.86 65.26 3fyp h ILE 262 Cb 0.17 -0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.02 3fyp h ILE 262 CO -0.00 0.24 -0.90 0.03 0.00 0.00 0.00 178.15 177.52 3fyp h ARG 263 N 1.34 0.39 -0.24 2.37 3.08 -1.20 -1.83 114.38 118.28 3fyp h ARG 263 Ca 0.38 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3fyp h ARG 263 Cb -0.10 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3fyp h ARG 263 CO -0.10 1.07 -0.21 0.82 -1.07 0.00 0.00 179.97 180.49 3fyp h ILE 264 N 0.23 1.31 -0.80 2.04 1.08 -1.17 -2.83 117.51 117.37 3fyp h ILE 264 Ca -0.07 -1.35 -0.01 0.00 -0.39 0.00 0.00 64.86 63.04 3fyp h ILE 264 Cb 1.53 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 36.88 3fyp h ILE 264 CO 0.15 0.42 0.47 0.50 -0.69 0.00 0.00 178.15 179.01 3fyp h LYS 265 N 0.28 1.09 -0.02 2.37 3.64 -0.86 0.61 116.57 123.68 3fyp h LYS 265 Ca 0.04 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3fyp h LYS 265 Cb 0.75 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3fyp h LYS 265 CO 0.05 0.78 -0.15 0.00 -2.27 0.00 0.00 179.45 177.86 3fyp h ALA 266 N 1.25 -0.16 -0.48 5.00 0.00 -1.17 0.64 119.26 124.34 3fyp h ALA 266 Ca 0.28 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3fyp h ALA 266 Cb -0.02 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fyp h ALA 266 CO -0.05 -0.64 -0.09 1.25 0.00 0.00 0.00 179.25 179.72 3fyp h LEU 267 N -0.24 0.91 -0.50 0.00 6.46 -1.22 -1.82 115.31 118.90 3fyp h LEU 267 Ca 0.06 -0.35 -0.04 0.00 -0.12 0.00 0.00 57.88 57.43 3fyp h LEU 267 Cb 0.32 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 3fyp h LEU 267 CO -0.17 1.05 0.16 -0.78 -0.62 0.00 0.00 178.44 178.09 3fyp h ASP 268 N 0.76 0.73 -0.63 1.25 3.58 -0.73 -0.53 116.42 120.85 3fyp h ASP 268 Ca 0.12 -0.20 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 3fyp h ASP 268 Cb 0.64 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 3fyp h ASP 268 CO 0.04 0.74 0.05 0.44 -2.88 0.00 0.00 179.24 177.64 3fyp h ASP 269 N 0.68 1.05 0.31 2.28 3.32 -0.79 -0.28 116.42 122.98 3fyp h ASP 269 Ca 0.16 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3fyp h ASP 269 Cb 0.27 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3fyp h ASP 269 CO -0.01 1.07 -0.15 0.25 -1.72 0.00 0.00 179.24 178.68 3fyp h LEU 270 N 1.00 -0.35 -0.55 1.55 5.85 -0.82 -2.40 115.31 119.59 3fyp h LEU 270 Ca 0.19 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3fyp h LEU 270 Cb 0.50 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3fyp h LEU 270 CO 0.02 -0.23 0.18 0.40 -0.34 0.00 0.00 178.44 178.47 3fyp h ILE 271 N -0.44 1.23 0.00 4.05 1.08 -0.84 -2.59 117.51 120.01 3fyp h ILE 271 Ca -0.04 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.61 3fyp h ILE 271 Cb 0.33 0.70 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3fyp h ILE 271 CO 0.07 0.29 -0.16 0.11 -0.69 0.00 0.00 178.15 177.77 3fyp h LYS 272 N 0.77 0.00 0.00 2.37 1.79 -1.09 -2.72 116.57 117.69 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 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3fyp h LYS 272 CO -0.01 0.16 -0.04 -1.13 -1.08 0.00 0.00 179.45 177.36 3fyp n SER 273 N -3.25 0.21 -4.56 0.86 3.41 -0.90 -4.72 113.62 104.67 3fyp n SER 273 Ca 0.01 0.47 -0.34 0.00 -0.26 0.00 0.00 58.87 58.75 3fyp n SER 273 Cb 0.45 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.77 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 -3.02 3.27 0.57 4.33 -0.21 -1.03 -5.10 119.66 118.47 3fyp s GLN 274 Ca 0.13 -0.50 -0.18 0.00 0.02 0.00 0.00 55.36 54.83 3fyp s GLN 274 Cb 0.17 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 3fyp s GLN 274 CO 0.56 0.46 1.10 -1.25 -2.12 0.00 0.00 175.29 174.04 3fyp s PRO 275 N -0.24 3.29 0.34 2.91 0.04 -1.26 -4.94 135.00 135.13 3fyp s PRO 275 Ca 0.04 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 3fyp s PRO 275 Cb -0.13 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.28 3fyp s PRO 275 CO 0.02 -0.88 1.32 -0.89 0.04 0.00 0.00 177.00 176.61 3fyp n ILE 276 N -1.59 1.96 0.53 0.56 5.41 -1.26 -5.14 119.36 119.84 3fyp n ILE 276 Ca 0.11 -0.49 0.06 0.00 1.00 0.00 0.00 62.75 63.43 3fyp n ILE 276 Cb 0.52 -1.62 0.05 0.00 -0.71 0.00 0.00 39.64 37.88 3fyp n ILE 276 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44