#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 6.33 -0.06 6.12 1.01 -1.26 -3.78 116.67 125.02 3fyp s ASP 2 Ca 0.00 0.69 0.00 0.00 0.71 0.00 0.00 52.55 53.96 3fyp s ASP 2 Cb 0.00 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.81 3fyp s ASP 2 CO 0.00 -0.36 -0.05 -0.63 0.21 0.00 0.00 175.17 174.34 3fyp s ILE 3 N -2.39 0.64 -0.13 0.77 1.01 0.63 -4.98 121.20 116.75 3fyp s ILE 3 Ca 0.44 -0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.72 3fyp s ILE 3 Cb -0.10 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 3fyp s ILE 3 CO 0.37 0.27 0.78 -0.54 0.00 0.00 0.00 174.94 175.82 3fyp s LYS 4 N 1.29 4.35 -0.33 2.79 -0.14 -1.26 -0.76 119.74 125.68 3fyp s LYS 4 Ca -0.05 0.96 0.02 0.00 -1.36 0.00 0.00 55.97 55.54 3fyp s LYS 4 Cb -0.14 -3.53 0.10 0.00 -1.68 0.00 0.00 37.83 32.59 3fyp s LYS 4 CO -0.02 -0.18 0.07 0.42 -0.76 0.00 0.00 175.35 174.88 3fyp s ILE 5 N 1.63 1.77 0.00 2.17 1.01 0.45 -4.98 121.20 123.25 3fyp s ILE 5 Ca 0.38 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.03 3fyp s ILE 5 Cb -0.17 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 39.98 3fyp s ILE 5 CO 0.15 -0.63 0.00 0.59 0.00 0.00 0.00 174.94 175.05 3fyp n ASN 6 N 4.47 0.00 -0.50 3.58 3.02 -1.26 -0.34 115.26 124.23 3fyp n ASN 6 Ca 0.02 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.70 3fyp n ASN 6 Cb 0.42 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.95 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 5.36 1.68 -4.73 6.41 8.00 -1.26 -4.89 116.55 127.13 3fyp n ASP 7 Ca 0.00 -1.42 -0.40 0.00 0.71 0.00 0.00 54.79 53.68 3fyp n ASP 7 Cb 0.00 0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 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 -2.18 4.93 -0.32 0.53 1.01 0.54 -5.05 121.20 120.66 3fyp s ILE 8 Ca 0.31 1.53 -0.11 0.00 0.00 0.00 0.00 60.65 62.38 3fyp s ILE 8 Cb 0.20 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3fyp s ILE 8 CO 0.40 0.29 0.19 -0.89 0.00 0.00 0.00 174.94 174.93 3fyp s THR 9 N 0.49 4.93 -0.24 2.92 2.01 -1.26 -0.41 115.64 124.09 3fyp s THR 9 Ca 0.38 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 3fyp s THR 9 Cb -0.19 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 3fyp s THR 9 CO 0.20 0.05 0.02 -0.22 -0.69 0.00 0.00 174.62 173.98 3fyp s LEU 10 N 1.67 3.22 -0.06 4.42 2.96 0.06 -4.79 118.68 126.16 3fyp s LEU 10 Ca 0.05 -0.29 -0.31 0.00 -0.22 0.00 0.00 54.13 53.36 3fyp s LEU 10 Cb -0.17 -1.85 0.12 0.00 0.50 0.00 0.00 46.19 44.79 3fyp s LEU 10 CO 0.08 -0.03 1.10 -0.83 -1.32 0.00 0.00 176.35 175.35 3fyp s GLY 11 N 1.56 -0.36 0.00 7.98 0.00 -1.26 -0.27 107.32 114.97 3fyp s GLY 11 Ca 0.06 1.08 0.18 0.00 0.00 0.00 0.00 44.72 46.03 3fyp s GLY 11 CO 0.01 0.33 1.57 0.70 0.00 0.00 0.00 173.10 175.71 3fyp n ASN 12 N -0.26 0.00 -0.30 1.64 3.02 -1.26 -1.52 115.26 116.58 3fyp n ASN 12 Ca -0.05 0.45 0.08 0.00 -0.03 0.00 0.00 54.58 55.03 3fyp n ASN 12 Cb 0.60 -0.48 0.13 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.48 1.83 -4.71 6.41 5.15 -1.26 -4.21 115.26 117.00 3fyp n ASN 13 Ca 0.05 -3.05 -0.23 0.00 -0.60 0.00 0.00 54.58 50.74 3fyp n ASN 13 Cb 0.20 -0.41 -0.07 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 -2.65 4.61 0.34 1.20 0.01 -0.58 -5.05 113.70 111.58 3fyp s SER 14 Ca 0.29 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.48 3fyp s SER 14 Cb 0.26 -0.73 -0.11 0.00 0.21 0.00 0.00 66.02 65.65 3fyp s SER 14 CO -0.00 -0.25 1.50 -2.65 0.41 0.00 0.00 173.24 172.25 3fyp n PRO 15 N -1.09 2.60 -1.73 12.44 -0.02 -1.26 -4.81 135.00 141.12 3fyp n PRO 15 Ca -0.04 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 3fyp n PRO 15 Cb 0.61 -2.65 0.01 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.05 2.42 -3.82 6.00 1.16 -1.26 -4.84 117.46 118.17 3fyp n PHE 16 Ca 0.04 0.47 -0.35 0.00 -1.87 0.00 0.00 57.45 55.75 3fyp n PHE 16 Cb 0.37 -2.42 -0.08 0.00 -1.61 0.00 0.00 39.48 35.74 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 -1.19 5.22 -0.21 1.97 1.01 -0.45 -4.26 120.40 122.49 3fyp s VAL 17 Ca 0.60 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.49 3fyp s VAL 17 Cb -0.48 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 3fyp s VAL 17 CO 0.58 0.45 0.68 -0.22 0.00 0.00 0.00 175.10 176.60 3fyp s LEU 18 N 0.30 4.12 -0.50 3.92 2.96 -0.41 -1.37 118.68 127.69 3fyp s LEU 18 Ca 0.07 0.88 -0.15 0.00 -0.22 0.00 0.00 54.13 54.71 3fyp s LEU 18 Cb -0.11 -2.97 0.11 0.00 0.50 0.00 0.00 46.19 43.71 3fyp s LEU 18 CO -0.01 -0.35 0.44 -0.36 -1.32 0.00 0.00 176.35 174.75 3fyp s PHE 19 N 2.22 3.27 0.03 5.38 0.40 0.01 -1.05 117.98 128.25 3fyp s PHE 19 Ca 0.30 -1.26 0.01 0.00 -0.60 0.00 0.00 56.93 55.38 3fyp s PHE 19 Cb -0.16 -3.52 -0.02 0.00 0.51 0.00 0.00 43.02 39.82 3fyp s PHE 19 CO 0.10 -0.94 -0.05 0.20 0.70 0.00 0.00 175.22 175.23 3fyp s GLY 20 N 3.11 0.37 0.00 4.36 0.00 -0.45 -1.16 107.32 113.56 3fyp s GLY 20 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3fyp s GLY 20 CO 0.04 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 172.92 3fyp n GLY 21 N 1.29 -0.43 3.12 0.20 0.00 -1.02 -1.52 105.19 106.83 3fyp n GLY 21 Ca -0.22 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.16 0.06 -0.61 -4.36 -0.90 -1.58 121.20 113.97 3fyp s ILE 22 Ca 0.00 -1.85 -0.36 0.00 -0.26 0.00 0.00 60.65 58.18 3fyp s ILE 22 Cb 0.00 -1.77 -0.20 0.00 1.25 0.00 0.00 42.46 41.74 3fyp s ILE 22 CO 0.00 -0.74 1.55 0.00 0.24 0.00 0.00 174.94 175.99 3fyp s VAL 24 N -5.91 0.05 0.05 0.00 0.11 -1.26 -3.37 120.40 110.07 3fyp s VAL 24 Ca -0.19 -0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 58.16 3fyp s VAL 24 Cb 0.02 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.50 3fyp s VAL 24 CO 0.59 -0.22 1.18 -0.76 -3.33 0.00 0.00 175.10 172.57 3fyp s LEU 25 N -0.73 4.36 -0.02 2.54 1.43 0.03 -4.91 118.68 121.38 3fyp s LEU 25 Ca -0.08 1.97 -0.00 0.00 -1.03 0.00 0.00 54.13 54.99 3fyp s LEU 25 Cb -0.05 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3fyp s LEU 25 CO 0.01 -0.47 -0.02 -0.62 0.23 0.00 0.00 176.35 175.48 3fyp n GLU 26 N 4.05 0.05 -3.87 1.70 1.02 -1.26 -1.95 120.64 120.39 3fyp n GLU 26 Ca 0.09 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.15 3fyp n GLU 26 Cb 0.47 -0.91 -0.06 0.00 -0.02 0.00 0.00 31.44 30.91 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 -4.48 -0.01 0.11 1.62 1.04 -1.26 -4.75 113.70 105.97 3fyp s SER 27 Ca -0.03 -0.70 -0.18 0.00 0.48 0.00 0.00 55.95 55.52 3fyp s SER 27 Cb 0.01 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.51 3fyp s SER 27 CO 0.05 -0.87 1.66 0.25 0.98 0.00 0.00 173.24 175.31 3fyp h LEU 28 N 2.53 0.37 -0.93 2.42 5.85 -1.98 -2.72 115.31 120.85 3fyp h LEU 28 Ca -0.32 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 3fyp h LEU 28 Cb 1.23 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3fyp h LEU 28 CO 0.49 0.42 0.00 0.44 -0.34 0.00 0.00 178.44 179.45 3fyp h ASP 29 N 0.30 0.75 0.66 1.25 5.19 -1.99 0.22 116.42 122.79 3fyp h ASP 29 Ca 0.09 -0.18 -0.20 0.00 -0.62 0.00 0.00 57.03 56.12 3fyp h ASP 29 Cb 0.16 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 3fyp h ASP 29 CO -0.01 0.82 -0.92 -1.28 -3.12 0.00 0.00 179.24 174.73 3fyp h SER 30 N 0.74 0.22 -0.26 6.45 0.87 -1.98 -2.14 113.55 117.44 3fyp h SER 30 Ca 0.14 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3fyp h SER 30 Cb 0.44 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3fyp h SER 30 CO 0.02 1.03 0.03 0.74 -0.53 0.00 0.00 176.83 178.12 3fyp h THR 31 N 0.08 1.24 -0.08 2.23 2.02 -0.97 -1.31 112.91 116.11 3fyp h THR 31 Ca -0.05 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.20 3fyp h THR 31 Cb 1.58 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 3fyp h THR 31 CO 0.14 0.26 -0.46 -0.07 0.37 0.00 0.00 175.52 175.76 3fyp h LEU 32 N 0.24 0.21 -0.03 2.58 3.38 -0.91 0.11 115.31 120.90 3fyp h LEU 32 Ca 0.08 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fyp h LEU 32 Cb 0.36 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3fyp h LEU 32 CO 0.01 0.64 -0.00 -0.61 0.09 0.00 0.00 178.44 178.57 3fyp h GLN 33 N 0.16 0.05 -0.51 1.13 4.15 -1.29 0.87 115.11 119.66 3fyp h GLN 33 Ca 0.01 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 3fyp h GLN 33 Cb 0.87 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 3fyp h GLN 33 CO 0.07 0.38 -0.08 1.15 -1.93 0.00 0.00 178.83 178.42 3fyp h THR 34 N -0.29 1.27 -0.57 2.39 2.02 -0.75 -2.57 112.91 114.40 3fyp h THR 34 Ca 0.01 -1.21 -0.07 0.00 0.77 0.00 0.00 66.41 65.91 3fyp h THR 34 Cb 0.36 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3fyp h THR 34 CO 0.00 0.42 0.09 0.00 0.37 0.00 0.00 175.52 176.40 3fyp h ALA 36 N 1.22 0.86 -0.25 0.00 0.00 -0.47 -0.54 119.26 120.08 3fyp h ALA 36 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3fyp h ALA 36 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3fyp h ALA 36 CO 0.01 0.30 0.10 1.25 0.00 0.00 0.00 179.25 180.91 3fyp h HIS 37 N 0.92 0.38 -0.68 0.00 6.17 -1.05 -2.30 115.15 118.59 3fyp h HIS 37 Ca 0.25 -0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.34 3fyp h HIS 37 Cb -0.08 -0.11 -0.05 0.00 2.52 0.00 0.00 27.41 29.69 3fyp h HIS 37 CO -0.02 0.40 0.40 1.88 0.71 0.00 0.00 177.93 181.30 3fyp h TYR 38 N 0.25 0.74 -0.47 5.26 -1.99 -0.69 -2.55 116.97 117.52 3fyp h TYR 38 Ca 0.08 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.74 3fyp h TYR 38 Cb 0.18 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 3fyp h TYR 38 CO -0.01 0.39 -0.08 0.28 -0.00 0.00 0.00 178.16 178.75 3fyp h VAL 39 N 0.76 1.27 -0.27 -2.88 2.07 -0.85 -0.98 116.25 115.37 3fyp h VAL 39 Ca 0.29 -1.18 -0.17 0.00 0.82 0.00 0.00 66.70 66.46 3fyp h VAL 39 Cb 0.11 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3fyp h VAL 39 CO -0.14 0.41 -0.49 1.05 0.02 0.00 0.00 177.57 178.42 3fyp h GLU 40 N 0.73 0.81 -0.04 1.57 -0.00 -1.37 0.15 114.58 116.42 3fyp h GLU 40 Ca 0.12 -0.51 -0.00 0.00 -0.00 0.00 0.00 59.36 58.97 3fyp h GLU 40 Cb 0.61 0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 29.42 3fyp h GLU 40 CO 0.04 1.14 0.01 0.28 -0.00 0.00 0.00 179.01 180.48 3fyp h VAL 41 N 0.57 1.17 -0.34 -1.06 2.07 -1.42 -2.61 116.25 114.62 3fyp h VAL 41 Ca 0.02 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 3fyp h VAL 41 Cb 1.09 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3fyp h VAL 41 CO 0.11 0.14 -0.27 0.71 0.02 0.00 0.00 177.57 178.28 3fyp h THR 42 N -0.14 1.28 -0.75 2.57 1.35 -1.12 -2.48 112.91 113.62 3fyp h THR 42 Ca 0.01 -1.38 -0.04 0.00 -0.55 0.00 0.00 66.41 64.45 3fyp h THR 42 Cb 0.21 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 3fyp h THR 42 CO -0.00 0.45 0.31 0.03 -0.25 0.00 0.00 175.52 176.06 3fyp h ARG 43 N 0.60 1.12 0.00 4.72 -0.00 -0.62 0.87 114.38 121.07 3fyp h ARG 43 Ca 0.08 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.98 59.29 3fyp h ARG 43 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.54 3fyp h ARG 43 CO 0.06 0.91 -0.33 0.87 0.00 0.00 0.00 179.97 181.48 3fyp h LYS 44 N 1.08 0.00 0.00 0.04 1.79 -1.33 -2.47 116.57 115.68 3fyp h LYS 44 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 3fyp h LYS 44 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3fyp h LYS 44 CO -0.02 0.33 -0.65 1.28 -1.08 0.00 0.00 179.45 179.31 3fyp n LEU 45 N -3.30 0.61 -0.61 2.94 4.77 -0.95 -4.95 117.00 115.52 3fyp n LEU 45 Ca 0.01 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 3fyp n LEU 45 Cb 0.58 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3fyp n LEU 45 CO 0.37 0.02 -0.03 0.61 -1.33 0.00 0.00 177.39 177.03 3fyp n GLY 46 N 1.40 0.32 3.55 -0.72 0.00 0.16 -5.02 105.19 104.89 3fyp n GLY 46 Ca 0.04 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 4.71 0.61 -0.61 1.01 -0.41 -5.04 121.20 119.07 3fyp s ILE 47 Ca 0.03 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.45 3fyp s ILE 47 Cb -0.01 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3fyp s ILE 47 CO 0.03 0.37 1.20 -2.84 0.00 0.00 0.00 174.94 173.70 3fyp s PRO 48 N 1.12 2.89 -0.12 2.79 0.02 -1.26 -4.53 135.00 135.91 3fyp s PRO 48 Ca 0.05 1.78 -0.06 0.00 0.02 0.00 0.00 61.00 62.79 3fyp s PRO 48 Cb -0.14 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.51 3fyp s PRO 48 CO 0.04 -1.26 0.27 -0.47 -0.33 0.00 0.00 177.00 175.25 3fyp s TYR 49 N -1.70 -0.38 -0.15 6.54 5.04 -1.26 -1.29 117.35 124.15 3fyp s TYR 49 Ca 0.76 0.88 0.01 0.00 -2.44 0.00 0.00 57.07 56.29 3fyp s TYR 49 Cb -0.29 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.11 3fyp s TYR 49 CO 0.35 -0.27 -0.17 0.42 -1.34 0.00 0.00 175.55 174.54 3fyp s ILE 50 N 1.43 1.73 0.09 3.14 1.01 -0.21 -4.37 121.20 124.03 3fyp s ILE 50 Ca -0.08 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 3fyp s ILE 50 Cb -0.10 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.72 3fyp s ILE 50 CO -0.09 0.49 1.08 0.12 0.00 0.00 0.00 174.94 176.54 3fyp s PHE 51 N 1.27 3.59 -0.09 3.97 5.36 -0.78 -1.34 117.98 129.97 3fyp s PHE 51 Ca 0.02 1.56 0.04 0.00 -0.96 0.00 0.00 56.93 57.58 3fyp s PHE 51 Cb -0.14 -3.25 -0.01 0.00 -0.34 0.00 0.00 43.02 39.28 3fyp s PHE 51 CO -0.09 -0.56 -0.21 0.21 -1.46 0.00 0.00 175.22 173.12 3fyp s LYS 52 N 0.44 2.92 -0.10 10.12 2.36 -0.57 -0.68 119.74 134.22 3fyp s LYS 52 Ca 0.52 -0.82 -0.30 0.00 -2.55 0.00 0.00 55.97 52.82 3fyp s LYS 52 Cb -0.27 -2.34 0.10 0.00 -1.05 0.00 0.00 37.83 34.27 3fyp s LYS 52 CO 0.31 0.29 0.84 0.00 1.55 0.00 0.00 175.35 178.34 3fyp s ALA 53 N 0.08 -1.85 -0.05 3.13 0.00 -1.08 -2.11 121.76 119.89 3fyp s ALA 53 Ca -0.09 1.44 -0.08 0.00 0.00 0.00 0.00 51.96 53.22 3fyp s ALA 53 Cb -0.15 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 3fyp s ALA 53 CO 0.06 -0.35 0.24 -1.12 0.00 0.00 0.00 175.76 174.59 3fyp s SER 54 N -1.20 6.52 0.01 0.00 0.01 -1.22 -4.20 113.70 113.63 3fyp s SER 54 Ca -0.06 0.61 0.26 0.00 1.31 0.00 0.00 55.95 58.06 3fyp s SER 54 Cb -0.00 -2.11 0.64 0.00 0.21 0.00 0.00 66.02 64.76 3fyp s SER 54 CO 0.05 0.33 1.52 2.22 0.41 0.00 0.00 173.24 177.77 3fyp n PHE 55 N 1.62 0.07 -3.68 2.43 1.16 -1.26 -0.79 117.46 117.01 3fyp n PHE 55 Ca -0.15 0.02 -0.10 0.00 -1.87 0.00 0.00 57.45 55.35 3fyp n PHE 55 Cb 0.54 -0.35 -0.10 0.00 -1.61 0.00 0.00 39.48 37.95 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 -3.15 -0.60 -0.49 5.98 2.15 -1.26 -0.80 116.67 118.50 3fyp s ASP 56 Ca 0.11 1.02 -0.19 0.00 0.43 0.00 0.00 52.55 53.92 3fyp s ASP 56 Cb 0.17 0.90 0.05 0.00 -0.30 0.00 0.00 42.92 43.75 3fyp s ASP 56 CO 0.67 -0.20 0.59 -0.54 -0.17 0.00 0.00 175.17 175.51 3fyp s LYS 57 N 1.41 3.12 0.00 4.34 -0.14 0.11 -4.92 119.74 123.66 3fyp s LYS 57 Ca -0.09 -0.89 0.24 0.00 -1.36 0.00 0.00 55.97 53.87 3fyp s LYS 57 Cb -0.08 -4.08 0.31 0.00 -1.68 0.00 0.00 37.83 32.30 3fyp s LYS 57 CO -0.14 -1.15 1.28 0.00 -0.76 0.00 0.00 175.35 174.58 3fyp n ALA 58 N 6.03 3.43 -0.81 5.17 0.00 -1.26 -4.04 120.51 129.03 3fyp n ALA 58 Ca -0.07 -0.54 0.03 0.00 0.00 0.00 0.00 53.44 52.87 3fyp n ALA 58 Cb 0.46 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 19.01 3fyp n ALA 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fyp n ASN 59 N -0.40 1.54 0.00 0.00 5.03 -1.26 -5.01 115.26 115.17 3fyp n ASN 59 Ca 0.10 -2.23 0.00 0.00 0.87 0.00 0.00 54.58 53.32 3fyp n ASN 59 Cb 0.41 -0.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 3fyp n ASN 59 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3fyp n ARG 60 N -0.68 0.61 0.10 3.52 5.12 -1.26 -5.08 116.66 118.99 3fyp n ARG 60 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 3fyp n ARG 60 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 3fyp n ARG 60 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3fyp n SER 61 N 0.00 0.37 0.00 0.55 7.64 -1.26 -5.13 113.62 115.79 3fyp n SER 61 Ca 0.00 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.20 3fyp n SER 61 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3fyp n SER 61 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3fyp n SER 62 N -3.46 0.00 -2.34 6.43 2.88 -1.26 -5.23 113.62 110.65 3fyp n SER 62 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3fyp n SER 62 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 3fyp n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fyp n ILE 63 N 0.00 0.00 -3.28 2.46 0.13 -1.26 -5.15 119.36 112.26 3fyp n ILE 63 Ca 0.00 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.26 3fyp n ILE 63 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 38.74 3fyp n ILE 63 CO 0.00 0.00 0.00 -0.47 2.80 0.00 0.00 176.55 178.88 3fyp s TYR 66 N -0.81 3.80 -2.32 9.51 5.04 -1.26 -5.31 117.35 126.01 3fyp s TYR 66 Ca 0.00 1.26 0.21 0.00 -2.44 0.00 0.00 57.07 56.10 3fyp s TYR 66 Cb 0.00 -2.49 0.53 0.00 0.35 0.00 0.00 41.96 40.34 3fyp s TYR 66 CO 0.00 0.58 1.44 0.54 -1.34 0.00 0.00 175.55 176.78 3fyp n ARG 67 N 1.76 2.29 0.00 4.97 1.74 -1.26 -4.94 116.66 121.22 3fyp n ARG 67 Ca -0.10 -1.97 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 3fyp n ARG 67 Cb 0.51 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 1.40 1.42 0.00 -0.13 0.00 -1.26 0.08 105.19 106.70 3fyp n GLY 68 Ca 0.19 -2.01 0.10 0.00 0.00 0.00 0.00 46.02 44.30 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 1.81 0.26 -1.49 1.61 0.24 -0.82 -4.93 118.33 115.02 3fyp n VAL 69 Ca 0.00 0.07 0.04 0.00 -2.04 0.00 0.00 64.34 62.40 3fyp n VAL 69 Cb 0.00 -0.73 -0.01 0.00 -1.47 0.00 0.00 33.84 31.63 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 0.42 -2.06 0.14 7.63 0.00 0.02 -4.39 105.19 106.94 3fyp n GLY 70 Ca 0.12 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.26 -1.04 0.99 6.46 -1.94 0.97 115.31 120.50 3fyp h LEU 71 Ca 0.01 0.01 0.20 0.00 -0.12 0.00 0.00 57.88 57.97 3fyp h LEU 71 Cb 0.26 0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 40.15 3fyp h LEU 71 CO 0.00 -0.02 0.61 -0.33 -0.62 0.00 0.00 178.44 178.08 3fyp h GLU 72 N -0.63 0.70 0.02 1.25 5.08 -1.97 0.68 114.58 119.71 3fyp h GLU 72 Ca -0.03 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3fyp h GLU 72 Cb 0.23 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.33 3fyp h GLU 72 CO 0.05 0.46 -0.32 1.05 -1.00 0.00 0.00 179.01 179.25 3fyp h GLU 73 N 0.72 0.18 -0.83 2.33 4.11 -1.76 -3.23 114.58 116.09 3fyp h GLU 73 Ca 0.58 -0.22 0.14 0.00 0.07 0.00 0.00 59.36 59.93 3fyp h GLU 73 Cb 0.97 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.14 3fyp h GLU 73 CO -0.38 1.00 -0.35 0.78 0.07 0.00 0.00 179.01 180.13 3fyp h GLY 74 N -0.54 0.09 0.99 1.06 0.00 0.14 -1.68 103.07 103.13 3fyp h GLY 74 Ca -0.05 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 3fyp h GLY 74 CO 0.06 -0.22 0.31 1.41 0.00 0.00 0.00 176.54 178.10 3fyp h LEU 75 N -0.06 0.66 -0.92 3.11 4.07 -1.27 0.11 115.31 121.01 3fyp h LEU 75 Ca 0.32 -0.08 0.13 0.00 0.08 0.00 0.00 57.88 58.33 3fyp h LEU 75 Cb 0.59 -0.17 -0.14 0.00 1.08 0.00 0.00 40.66 42.02 3fyp h LEU 75 CO -0.86 0.55 -0.44 0.11 -1.08 0.00 0.00 178.44 176.71 3fyp h LYS 76 N 0.73 -0.04 -0.63 1.13 1.57 -1.35 0.63 116.57 118.61 3fyp h LYS 76 Ca 0.19 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3fyp h LYS 76 Cb 0.02 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3fyp h LYS 76 CO -0.03 -0.03 0.05 0.82 -0.57 0.00 0.00 179.45 179.70 3fyp h ILE 77 N -0.04 1.26 -0.43 1.86 2.04 -0.30 -1.51 117.51 120.38 3fyp h ILE 77 Ca 0.27 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3fyp h ILE 77 Cb 0.54 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3fyp h ILE 77 CO -0.92 0.40 0.19 -0.26 0.00 0.00 0.00 178.15 177.56 3fyp h PHE 78 N 0.99 0.60 -0.38 1.37 -1.00 -0.05 -0.40 116.94 118.07 3fyp h PHE 78 Ca 0.19 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.91 3fyp h PHE 78 Cb 0.49 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 3fyp h PHE 78 CO 0.03 0.46 0.09 0.93 -1.61 0.00 0.00 178.31 178.22 3fyp h GLU 79 N 0.61 0.61 0.25 1.51 5.08 0.05 -1.55 114.58 121.14 3fyp h GLU 79 Ca 0.15 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3fyp h GLU 79 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3fyp h GLU 79 CO -0.02 0.64 -0.17 0.87 -1.00 0.00 0.00 179.01 179.34 3fyp h LYS 80 N 0.47 -0.40 -0.92 2.33 6.56 -0.71 -1.42 116.57 122.48 3fyp h LYS 80 Ca 0.12 0.03 0.15 0.00 -1.06 0.00 0.00 60.65 59.89 3fyp h LYS 80 Cb 0.31 0.09 -0.09 0.00 -0.57 0.00 0.00 32.23 31.96 3fyp h LYS 80 CO 0.00 -0.26 0.52 0.28 -2.06 0.00 0.00 179.45 177.93 3fyp h VAL 81 N -0.41 0.77 -0.00 0.50 2.07 -0.96 0.33 116.25 118.54 3fyp h VAL 81 Ca -0.02 -0.25 -0.22 0.00 0.82 0.00 0.00 66.70 67.03 3fyp h VAL 81 Cb 0.35 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3fyp h VAL 81 CO 0.01 0.13 -0.93 0.11 0.02 0.00 0.00 177.57 176.92 3fyp h LYS 82 N 0.74 0.39 0.27 1.57 1.57 -1.04 -2.17 116.57 117.89 3fyp h LYS 82 Ca 0.50 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3fyp h LYS 82 Cb 0.67 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3fyp h LYS 82 CO -0.34 1.09 -0.13 0.00 -0.57 0.00 0.00 179.45 179.49 3fyp h ALA 83 N 0.77 -0.36 -0.51 3.86 0.00 -0.58 -0.55 119.26 121.89 3fyp h ALA 83 Ca -0.07 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3fyp h ALA 83 Cb 1.56 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3fyp h ALA 83 CO 0.16 -0.64 -0.17 1.49 0.00 0.00 0.00 179.25 180.09 3fyp h GLU 84 N -0.48 1.02 0.00 0.00 4.81 -0.90 -3.35 114.58 115.67 3fyp h GLU 84 Ca -0.04 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 3fyp h GLU 84 Cb 0.36 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3fyp h GLU 84 CO 0.06 1.10 -1.52 1.19 -0.73 0.00 0.00 179.01 179.11 3fyp n PHE 85 N -4.13 0.00 -1.69 0.92 3.01 -0.82 -5.01 117.46 109.74 3fyp n PHE 85 Ca 0.01 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.39 3fyp n PHE 85 Cb 0.44 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 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 1.92 0.52 3.80 1.37 0.00 -0.22 -5.04 105.19 107.54 3fyp n GLY 86 Ca -0.03 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.34 4.35 0.70 -0.61 -4.36 -1.26 -5.09 121.20 112.58 3fyp s ILE 87 Ca 0.00 -1.40 -0.11 0.00 -0.26 0.00 0.00 60.65 58.88 3fyp s ILE 87 Cb 0.00 -3.33 0.01 0.00 1.25 0.00 0.00 42.46 40.39 3fyp s ILE 87 CO 0.00 -0.31 1.06 -2.84 0.24 0.00 0.00 174.94 173.09 3fyp s PRO 88 N -3.69 2.93 0.19 0.37 0.02 -1.26 -4.68 135.00 128.87 3fyp s PRO 88 Ca 0.32 0.93 0.03 0.00 0.02 0.00 0.00 61.00 62.30 3fyp s PRO 88 Cb -0.08 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.40 3fyp s PRO 88 CO 0.24 -1.10 -0.02 0.14 -0.33 0.00 0.00 177.00 175.93 3fyp s VAL 89 N -3.06 0.91 -0.03 3.83 -7.23 -1.26 -1.87 120.40 111.69 3fyp s VAL 89 Ca 0.58 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.72 3fyp s VAL 89 Cb -0.14 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.67 3fyp s VAL 89 CO 0.55 -0.47 0.06 -0.51 -0.31 0.00 0.00 175.10 174.41 3fyp s ILE 90 N -3.50 -0.02 0.10 -0.62 2.07 0.14 -1.63 121.20 117.73 3fyp s ILE 90 Ca 0.24 0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 59.47 3fyp s ILE 90 Cb 0.05 -0.10 0.00 0.00 0.13 0.00 0.00 42.46 42.54 3fyp s ILE 90 CO 0.05 0.04 0.22 0.28 -1.91 0.00 0.00 174.94 173.61 3fyp s THR 91 N 0.48 0.13 0.17 4.00 -1.32 -1.10 -2.63 115.64 115.37 3fyp s THR 91 Ca -0.04 -1.13 -0.06 0.00 -1.21 0.00 0.00 61.69 59.25 3fyp s THR 91 Cb -0.05 -1.36 -0.06 0.00 -1.51 0.00 0.00 72.50 69.52 3fyp s THR 91 CO -0.02 -0.59 0.43 1.51 -2.21 0.00 0.00 174.62 173.74 3fyp s ASP 92 N -2.86 6.53 0.06 8.08 -4.77 -1.26 -1.62 116.67 120.82 3fyp s ASP 92 Ca 0.06 0.69 0.09 0.00 -3.30 0.00 0.00 52.55 50.08 3fyp s ASP 92 Cb 0.04 -2.13 -0.03 0.00 -1.09 0.00 0.00 42.92 39.71 3fyp s ASP 92 CO -0.10 0.02 -0.25 0.68 0.70 0.00 0.00 175.17 176.21 3fyp s VAL 93 N -1.70 2.28 0.00 2.11 -7.23 -1.01 -4.80 120.40 110.04 3fyp s VAL 93 Ca 0.43 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3fyp s VAL 93 Cb -0.12 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.90 3fyp s VAL 93 CO 0.24 0.32 0.33 1.41 -0.31 0.00 0.00 175.10 177.09 3fyp n HIS 94 N 1.61 0.00 -3.77 2.82 8.25 -1.26 -4.37 115.22 118.50 3fyp n HIS 94 Ca -0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 3fyp n HIS 94 Cb 0.52 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.26 0.27 0.27 -0.41 2.02 -1.26 -5.06 118.70 114.27 3fyp s GLU 95 Ca 0.00 0.41 -0.01 0.00 0.02 0.00 0.00 54.97 55.38 3fyp s GLU 95 Cb 0.00 0.06 0.45 0.00 0.10 0.00 0.00 34.13 34.74 3fyp s GLU 95 CO 0.00 -0.07 1.87 -1.35 0.02 0.00 0.00 175.26 175.72 3fyp h PRO 96 N 6.19 1.09 0.00 0.39 0.11 -1.92 -2.03 132.00 135.83 3fyp h PRO 96 Ca -0.30 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 3fyp h PRO 96 Cb 1.18 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3fyp h PRO 96 CO 0.36 0.72 -0.22 1.12 -0.21 0.00 0.00 178.00 179.77 3fyp h HIS 97 N 1.13 0.00 0.00 0.65 2.07 -1.97 -2.30 115.15 114.72 3fyp h HIS 97 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3fyp h HIS 97 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.24 3fyp h HIS 97 CO -0.00 0.22 0.00 1.96 -3.07 0.00 0.00 177.93 177.04 3fyp h GLN 98 N 0.00 0.00 0.23 5.12 4.20 -1.79 -3.38 115.11 119.48 3fyp h GLN 98 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3fyp h GLN 98 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3fyp h GLN 98 CO 0.03 0.00 -0.11 0.00 -0.67 0.00 0.00 178.83 178.08 3fyp h GLN 100 N -0.79 0.87 -0.13 0.00 5.75 -1.78 -1.22 115.11 117.81 3fyp h GLN 100 Ca -0.03 -0.15 -0.14 0.00 -0.15 0.00 0.00 58.65 58.18 3fyp h GLN 100 Cb 0.51 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3fyp h GLN 100 CO 0.05 0.73 -0.52 -1.00 -2.65 0.00 0.00 178.83 175.45 3fyp h PRO 101 N 0.81 0.35 -0.17 -2.39 0.13 -1.78 -2.43 132.00 126.52 3fyp h PRO 101 Ca 0.20 -0.21 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 3fyp h PRO 101 Cb 0.18 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 3fyp h PRO 101 CO -0.02 0.79 -0.19 0.28 -0.23 0.00 0.00 178.00 178.63 3fyp h VAL 102 N 0.28 1.22 0.00 1.56 2.07 -1.15 -3.20 116.25 117.03 3fyp h VAL 102 Ca 0.01 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 3fyp h VAL 102 Cb 1.01 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3fyp h VAL 102 CO 0.09 0.31 -0.45 0.00 0.02 0.00 0.00 177.57 177.53 3fyp h ALA 103 N 1.54 0.74 -0.10 1.67 0.00 -0.81 -0.64 119.26 121.66 3fyp h ALA 103 Ca 0.05 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 3fyp h ALA 103 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3fyp h ALA 103 CO 0.03 0.56 0.04 0.93 0.00 0.00 0.00 179.25 180.82 3fyp h GLU 104 N 0.00 0.14 0.00 0.00 4.39 -1.44 -3.35 114.58 114.32 3fyp h GLU 104 Ca -0.00 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 3fyp h GLU 104 Cb 1.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3fyp h GLU 104 CO 0.06 0.11 -0.99 0.28 -1.16 0.00 0.00 179.01 177.32 3fyp n VAL 105 N -4.50 1.38 -2.61 3.13 0.31 -1.08 -4.97 118.33 109.99 3fyp n VAL 105 Ca -0.01 0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 64.01 3fyp n VAL 105 Cb 0.10 -2.09 -0.02 0.00 -0.91 0.00 0.00 33.84 30.92 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 7.43 0.38 -3.36 0.00 5.19 -1.75 -3.40 116.42 120.91 3fyp h ASP 107 Ca -0.26 -0.36 -0.64 0.00 -0.62 0.00 0.00 57.03 55.15 3fyp h ASP 107 Cb 1.11 -0.10 -0.23 0.00 0.18 0.00 0.00 39.33 40.29 3fyp h ASP 107 CO 0.92 0.65 -0.67 -0.69 -3.12 0.00 0.00 179.24 176.33 3fyp s VAL 108 N -4.78 3.86 -0.04 -1.35 1.01 -0.65 -3.73 120.40 114.74 3fyp s VAL 108 Ca -0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3fyp s VAL 108 Cb 0.06 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3fyp s VAL 108 CO 0.74 0.47 0.04 0.27 0.00 0.00 0.00 175.10 176.61 3fyp s ILE 109 N 0.66 4.48 -0.15 2.22 -4.36 -0.77 -2.70 121.20 120.60 3fyp s ILE 109 Ca -0.02 -0.38 -0.01 0.00 -0.26 0.00 0.00 60.65 59.98 3fyp s ILE 109 Cb -0.14 -2.98 -0.02 0.00 1.25 0.00 0.00 42.46 40.57 3fyp s ILE 109 CO 0.02 0.45 -0.10 -1.58 0.24 0.00 0.00 174.94 173.97 3fyp s GLN 110 N -1.38 3.43 -0.29 0.37 0.74 -0.64 -1.31 119.66 120.58 3fyp s GLN 110 Ca 0.18 -0.65 -0.27 0.00 0.05 0.00 0.00 55.36 54.68 3fyp s GLN 110 Cb -0.12 -2.73 0.01 0.00 1.10 0.00 0.00 33.01 31.27 3fyp s GLN 110 CO 0.09 0.16 0.94 -1.17 -0.55 0.00 0.00 175.29 174.75 3fyp s LEU 111 N 0.52 4.03 0.52 3.68 2.96 -0.07 -2.40 118.68 127.93 3fyp s LEU 111 Ca -0.07 0.98 -0.20 0.00 -0.22 0.00 0.00 54.13 54.62 3fyp s LEU 111 Cb -0.15 -3.34 -0.06 0.00 0.50 0.00 0.00 46.19 43.13 3fyp s LEU 111 CO 0.04 -0.70 1.14 -2.84 -1.32 0.00 0.00 176.35 172.66 3fyp s PRO 112 N 3.23 3.44 0.24 0.98 0.02 -1.26 -2.56 135.00 139.09 3fyp s PRO 112 Ca 0.39 1.66 -0.05 0.00 0.02 0.00 0.00 61.00 63.03 3fyp s PRO 112 Cb -0.14 -2.10 0.42 0.00 0.02 0.00 0.00 34.50 32.70 3fyp s PRO 112 CO 0.12 -0.79 1.76 0.00 -0.33 0.00 0.00 177.00 177.76 3fyp h ALA 113 N 1.39 1.08 0.00 -1.55 0.00 -1.92 -1.35 119.26 116.92 3fyp h ALA 113 Ca -0.50 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3fyp h ALA 113 Cb 1.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3fyp h ALA 113 CO 0.58 -0.09 -0.01 0.74 0.00 0.00 0.00 179.25 180.46 3fyp h PHE 114 N 0.58 0.00 -0.33 0.00 0.04 -1.90 -3.12 116.94 112.21 3fyp h PHE 114 Ca 0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.17 3fyp h PHE 114 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 3fyp h PHE 114 CO -0.12 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 178.89 3fyp n LEU 115 N -3.14 3.21 0.27 1.54 4.77 -0.51 -4.67 117.00 118.46 3fyp n LEU 115 Ca -0.01 -2.28 0.18 0.00 -0.03 0.00 0.00 56.01 53.86 3fyp n LEU 115 Cb 0.20 -0.32 0.75 0.00 -2.33 0.00 0.00 43.42 41.72 3fyp n LEU 115 CO 0.25 0.72 1.01 0.00 -1.33 0.00 0.00 177.39 178.03 3fyp h ALA 116 N 1.98 1.00 -0.03 -1.18 0.00 -1.52 0.02 119.26 119.54 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 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3fyp h ALA 116 CO 0.06 0.00 -0.05 0.54 0.00 0.00 0.00 179.25 179.81 3fyp n ARG 117 N -2.99 2.06 -2.58 0.00 5.12 -1.26 -4.83 116.66 112.18 3fyp n ARG 117 Ca 0.00 -1.62 -0.41 0.00 -1.93 0.00 0.00 57.85 53.89 3fyp n ARG 117 Cb 0.26 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.06 3fyp n ARG 117 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3fyp s GLN 118 N -2.05 3.26 0.23 5.56 0.74 -0.01 -4.86 119.66 122.53 3fyp s GLN 118 Ca 0.29 -0.17 -0.03 0.00 0.05 0.00 0.00 55.36 55.50 3fyp s GLN 118 Cb 0.20 -4.14 0.25 0.00 1.10 0.00 0.00 33.01 30.42 3fyp s GLN 118 CO 0.34 -2.02 1.66 1.79 -0.55 0.00 0.00 175.29 176.51 3fyp h THR 119 N 6.05 1.27 -0.25 -0.34 1.35 -1.88 -1.29 112.91 117.82 3fyp h THR 119 Ca -0.27 -1.30 -0.06 0.00 -0.55 0.00 0.00 66.41 64.23 3fyp h THR 119 Cb 1.05 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 3fyp h THR 119 CO 1.25 0.43 -0.09 -2.24 -0.25 0.00 0.00 175.52 174.62 3fyp h ASP 120 N 0.62 0.38 -0.01 5.36 2.03 -1.98 -1.10 116.42 121.73 3fyp h ASP 120 Ca 0.09 -0.08 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 3fyp h ASP 120 Cb 0.70 -0.10 0.01 0.00 -0.83 0.00 0.00 39.33 39.10 3fyp h ASP 120 CO 0.05 0.51 -0.33 0.25 -1.03 0.00 0.00 179.24 178.70 3fyp h LEU 121 N 0.38 0.30 -0.53 0.15 5.85 -1.70 -1.59 115.31 118.16 3fyp h LEU 121 Ca 0.08 -0.76 0.11 0.00 0.84 0.00 0.00 57.88 58.14 3fyp h LEU 121 Cb 0.40 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.24 3fyp h LEU 121 CO 0.02 1.02 -0.07 0.58 -0.34 0.00 0.00 178.44 179.65 3fyp h VAL 122 N -0.40 0.51 -0.37 1.05 2.07 -1.12 0.11 116.25 118.10 3fyp h VAL 122 Ca -0.04 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 3fyp h VAL 122 Cb 1.07 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3fyp h VAL 122 CO 0.06 0.01 -0.16 0.58 0.02 0.00 0.00 177.57 178.09 3fyp h VAL 123 N 0.05 1.28 -0.31 2.57 2.07 -1.10 0.45 116.25 121.26 3fyp h VAL 123 Ca 0.27 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 3fyp h VAL 123 Cb 0.41 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3fyp h VAL 123 CO -0.50 0.42 -0.06 0.00 0.02 0.00 0.00 177.57 177.45 3fyp h ALA 124 N 0.81 1.32 -0.17 1.67 0.00 -1.03 -0.52 119.26 121.34 3fyp h ALA 124 Ca 0.09 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3fyp h ALA 124 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fyp h ALA 124 CO 0.05 0.46 -0.35 0.52 0.00 0.00 0.00 179.25 179.93 3fyp h MET 125 N 0.47 0.54 -0.54 0.00 2.86 -0.59 -3.20 114.93 114.47 3fyp h MET 125 Ca 0.10 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3fyp h MET 125 Cb 0.40 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3fyp h MET 125 CO 0.02 0.96 0.32 0.00 1.06 0.00 0.00 176.91 179.27 3fyp h ALA 126 N 0.57 1.55 0.00 6.32 0.00 -0.17 -2.04 119.26 125.49 3fyp h ALA 126 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3fyp h ALA 126 Cb 0.95 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3fyp h ALA 126 CO 0.08 0.39 -0.08 0.87 0.00 0.00 0.00 179.25 180.50 3fyp h LYS 127 N 0.74 0.00 0.00 0.00 6.56 -1.12 -2.47 116.57 120.28 3fyp h LYS 127 Ca 0.19 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.77 3fyp h LYS 127 Cb -0.02 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.64 3fyp h LYS 127 CO -0.04 0.08 -0.08 1.79 -2.06 0.00 0.00 179.45 179.14 3fyp h THR 128 N 0.00 0.22 0.00 -0.16 1.35 -1.44 -3.45 112.91 109.43 3fyp h THR 128 Ca -0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3fyp h THR 128 Cb 0.65 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3fyp h THR 128 CO 0.01 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 3fyp n GLY 129 N 0.07 1.48 3.69 5.82 0.00 -0.93 -5.00 105.19 110.32 3fyp n GLY 129 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.12 3.29 0.28 1.61 -0.87 -1.26 -5.00 114.94 109.87 3fyp s ASN 130 Ca 0.00 1.98 -0.29 0.00 -1.57 0.00 0.00 52.86 52.97 3fyp s ASN 130 Cb 0.00 -2.50 -0.10 0.00 -0.02 0.00 0.00 41.25 38.62 3fyp s ASN 130 CO 0.00 -2.83 1.39 -0.69 -2.57 0.00 0.00 177.10 172.40 3fyp s VAL 131 N -2.74 2.68 -0.09 1.60 1.01 -1.24 -4.82 120.40 116.80 3fyp s VAL 131 Ca 0.65 0.61 0.04 0.00 0.00 0.00 0.00 61.98 63.27 3fyp s VAL 131 Cb -0.21 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3fyp s VAL 131 CO 0.58 0.12 -0.21 -0.69 0.00 0.00 0.00 175.10 174.89 3fyp s VAL 132 N -0.43 1.82 -0.29 2.92 1.01 -0.30 -1.84 120.40 123.29 3fyp s VAL 132 Ca 0.55 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 3fyp s VAL 132 Cb -0.41 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3fyp s VAL 132 CO 0.47 0.51 0.18 0.21 0.00 0.00 0.00 175.10 176.47 3fyp s ASN 133 N 0.38 5.90 -0.43 3.32 2.47 -0.42 -0.00 114.94 126.15 3fyp s ASN 133 Ca -0.17 -0.14 -0.13 0.00 0.42 0.00 0.00 52.86 52.84 3fyp s ASN 133 Cb -0.17 -2.09 0.06 0.00 -1.45 0.00 0.00 41.25 37.59 3fyp s ASN 133 CO 0.07 -0.09 0.32 -0.63 -3.72 0.00 0.00 177.10 173.05 3fyp s ILE 134 N 1.73 4.91 -0.20 -5.21 1.01 0.12 -0.89 121.20 122.68 3fyp s ILE 134 Ca 0.07 -1.04 -0.29 0.00 0.00 0.00 0.00 60.65 59.39 3fyp s ILE 134 Cb -0.16 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3fyp s ILE 134 CO 0.10 -0.46 1.55 -0.54 0.00 0.00 0.00 174.94 175.58 3fyp s LYS 135 N 1.59 3.92 -0.13 2.79 -0.14 -1.06 -0.73 119.74 125.98 3fyp s LYS 135 Ca 0.04 1.70 -0.29 0.00 -1.36 0.00 0.00 55.97 56.05 3fyp s LYS 135 Cb -0.22 -3.98 -0.05 0.00 -1.68 0.00 0.00 37.83 31.90 3fyp s LYS 135 CO 0.06 -1.13 1.75 0.21 -0.76 0.00 0.00 175.35 175.48 3fyp s LYS 136 N 4.38 3.87 0.55 1.68 2.20 -0.01 -4.12 119.74 128.29 3fyp s LYS 136 Ca 0.68 2.00 -0.21 0.00 -0.36 0.00 0.00 55.97 58.08 3fyp s LYS 136 Cb -0.25 -4.08 -0.05 0.00 -1.51 0.00 0.00 37.83 31.94 3fyp s LYS 136 CO 0.27 -1.22 1.26 -2.30 -0.36 0.00 0.00 175.35 173.00 3fyp n PRO 137 N 7.63 1.48 0.27 4.03 -0.02 -1.26 -4.39 135.00 142.73 3fyp n PRO 137 Ca 0.20 0.55 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 3fyp n PRO 137 Cb 0.44 -2.46 0.91 0.00 -0.02 0.00 0.00 33.50 32.37 3fyp n PRO 137 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3fyp h GLN 138 N 1.21 0.00 -0.03 -0.52 -0.00 -1.90 -2.17 115.11 111.70 3fyp h GLN 138 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 3fyp h GLN 138 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 3fyp h GLN 138 CO 0.56 0.00 -0.01 1.97 -0.00 0.00 0.00 178.83 181.35 3fyp n PHE 139 N -3.73 0.00 -4.15 0.06 1.16 -1.26 -1.18 117.46 108.36 3fyp n PHE 139 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.22 3fyp n PHE 139 Cb 0.19 -0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.94 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 -2.01 3.38 0.60 5.98 2.96 -0.82 -5.05 118.68 123.72 3fyp s LEU 140 Ca 0.29 -0.12 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 3fyp s LEU 140 Cb 0.20 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3fyp s LEU 140 CO 0.31 0.11 1.07 -0.94 -1.32 0.00 0.00 176.35 175.58 3fyp s SER 141 N 0.71 5.69 0.54 3.68 1.04 -1.26 -4.76 113.70 119.34 3fyp s SER 141 Ca 0.00 1.85 0.23 0.00 0.48 0.00 0.00 55.95 58.52 3fyp s SER 141 Cb -0.14 -2.54 1.50 0.00 0.10 0.00 0.00 66.02 64.95 3fyp s SER 141 CO 0.02 -1.23 2.17 1.55 0.98 0.00 0.00 173.24 176.74 3fyp h PRO 142 N 0.42 0.00 0.00 4.02 0.13 -1.97 -0.71 132.00 133.89 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 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3fyp h PRO 142 CO 0.57 0.03 0.00 -1.13 -0.23 0.00 0.00 178.00 177.24 3fyp n SER 143 N -4.12 0.00 -0.60 1.44 3.41 -1.26 -2.66 113.62 109.82 3fyp n SER 143 Ca -0.03 0.08 0.08 0.00 -0.26 0.00 0.00 58.87 58.74 3fyp n SER 143 Cb 0.12 -0.35 0.06 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.35 1.12 0.26 4.33 1.13 -0.28 -4.35 117.38 118.23 3fyp n GLN 144 Ca 0.11 -1.40 0.11 0.00 -1.94 0.00 0.00 57.00 53.88 3fyp n GLN 144 Cb 0.25 -1.29 0.70 0.00 0.11 0.00 0.00 30.24 30.01 3fyp n GLN 144 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 3fyp h MET 145 N 2.97 0.00 -0.02 -1.09 4.05 -1.47 -1.47 114.93 117.89 3fyp h MET 145 Ca 0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3fyp h MET 145 Cb 0.63 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.43 3fyp h MET 145 CO 0.00 0.09 0.02 1.57 0.23 0.00 0.00 176.91 178.83 3fyp h LYS 146 N 0.00 0.00 -0.18 0.39 2.10 -1.79 -1.67 116.57 115.42 3fyp h LYS 146 Ca -0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.47 3fyp h LYS 146 Cb 0.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.53 3fyp h LYS 146 CO 0.01 0.00 -0.60 -0.91 -2.00 0.00 0.00 179.45 175.95 3fyp h ASN 147 N 0.00 0.69 -0.24 7.07 2.35 -1.58 0.11 115.58 123.98 3fyp h ASN 147 Ca 0.01 -0.39 -0.13 0.00 -0.55 0.00 0.00 56.30 55.25 3fyp h ASN 147 Cb 0.06 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 3fyp h ASN 147 CO -0.00 1.13 -0.34 0.40 -1.65 0.00 0.00 177.43 176.97 3fyp h ILE 148 N 0.46 1.31 -0.61 2.81 2.04 -1.45 -2.97 117.51 119.10 3fyp h ILE 148 Ca -0.00 -1.54 0.05 0.00 1.00 0.00 0.00 64.86 64.37 3fyp h ILE 148 Cb 1.17 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.92 3fyp h ILE 148 CO 0.12 0.48 0.33 0.58 0.00 0.00 0.00 178.15 179.66 3fyp h VAL 149 N 0.36 0.97 -0.48 1.67 2.07 -1.19 -2.03 116.25 117.63 3fyp h VAL 149 Ca 0.03 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.43 3fyp h VAL 149 Cb 0.92 0.29 -0.10 0.00 -1.52 0.00 0.00 31.29 30.88 3fyp h VAL 149 CO 0.08 0.11 -0.22 -0.08 0.02 0.00 0.00 177.57 177.49 3fyp h GLU 150 N 0.62 -0.11 -0.67 1.57 4.81 -0.77 -0.83 114.58 119.20 3fyp h GLU 150 Ca 0.27 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3fyp h GLU 150 Cb 0.16 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3fyp h GLU 150 CO -0.17 -0.07 0.20 0.87 -0.73 0.00 0.00 179.01 179.11 3fyp h LYS 151 N -0.11 1.05 -0.52 1.92 1.57 -1.22 0.05 116.57 119.31 3fyp h LYS 151 Ca 0.22 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3fyp h LYS 151 Cb 0.46 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3fyp h LYS 151 CO -0.55 0.92 -0.02 0.74 -0.57 0.00 0.00 179.45 179.97 3fyp h PHE 152 N 0.98 0.95 -0.47 -1.35 -1.00 -1.13 -1.60 116.94 113.33 3fyp h PHE 152 Ca 0.22 -0.15 -0.10 0.00 2.81 0.00 0.00 57.97 60.74 3fyp h PHE 152 Cb 0.31 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3fyp h PHE 152 CO 0.02 0.87 -0.11 0.45 -1.61 0.00 0.00 178.31 177.93 3fyp h HIS 153 N 0.81 1.01 0.00 -0.55 3.86 -0.48 -0.39 115.15 119.42 3fyp h HIS 153 Ca 0.15 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3fyp h HIS 153 Cb 0.51 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3fyp h HIS 153 CO 0.03 0.99 0.00 -0.85 0.86 0.00 0.00 177.93 178.96 3fyp n GLU 154 N -4.24 0.07 -0.22 2.45 0.28 -0.06 -1.29 120.64 117.63 3fyp n GLU 154 Ca 0.00 0.08 0.12 0.00 -0.16 0.00 0.00 57.16 57.20 3fyp n GLU 154 Cb 0.39 -1.59 0.24 0.00 1.43 0.00 0.00 31.44 31.91 3fyp n GLU 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3fyp n ALA 155 N -1.58 2.42 -0.72 -1.84 0.00 -0.61 -4.97 120.51 113.20 3fyp n ALA 155 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3fyp n ALA 155 Cb 0.35 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.52 0.84 2.85 0.00 0.00 -0.41 -4.62 105.19 105.37 3fyp n GLY 156 Ca 0.20 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.53 1.92 -0.01 1.61 3.84 -0.28 -4.99 114.94 114.50 3fyp s ASN 157 Ca 0.00 -0.21 0.06 0.00 0.21 0.00 0.00 52.86 52.92 3fyp s ASN 157 Cb 0.00 -0.67 0.16 0.00 -0.55 0.00 0.00 41.25 40.19 3fyp s ASN 157 CO 0.00 -0.15 1.13 0.61 -2.79 0.00 0.00 177.10 175.90 3fyp n GLY 158 N 5.02 3.06 3.02 1.21 0.00 -1.26 -3.49 105.19 112.75 3fyp n GLY 158 Ca -0.10 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.15 4.09 -5.04 1.61 5.02 -1.26 -4.97 118.16 117.45 3fyp n LYS 159 Ca 0.06 -4.22 -0.32 0.00 -2.02 0.00 0.00 58.31 51.81 3fyp n LYS 159 Cb 0.37 -2.66 -0.15 0.00 -0.02 0.00 0.00 35.03 32.57 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 -1.67 2.45 -0.07 -0.35 1.43 -1.26 -1.15 118.68 118.05 3fyp s LEU 160 Ca 0.34 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3fyp s LEU 160 Cb 0.04 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 3fyp s LEU 160 CO 0.05 0.29 -0.14 -0.63 0.23 0.00 0.00 176.35 176.16 3fyp s ILE 161 N -0.44 3.06 -0.23 -0.59 1.01 1.00 -4.21 121.20 120.79 3fyp s ILE 161 Ca 0.05 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 3fyp s ILE 161 Cb -0.12 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 3fyp s ILE 161 CO 0.02 0.57 0.07 -0.76 0.00 0.00 0.00 174.94 174.84 3fyp s LEU 162 N -0.45 3.55 -0.29 2.97 1.43 -0.15 -0.70 118.68 125.05 3fyp s LEU 162 Ca 0.06 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3fyp s LEU 162 Cb -0.12 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.24 3fyp s LEU 162 CO 0.02 0.03 -0.04 0.00 0.23 0.00 0.00 176.35 176.59 3fyp s GLU 164 N 1.01 4.33 -0.00 0.00 2.56 -0.49 -0.83 118.70 125.27 3fyp s GLU 164 Ca -0.00 2.17 0.00 0.00 0.00 0.00 0.00 54.97 57.14 3fyp s GLU 164 Cb -0.20 -3.17 0.00 0.00 2.00 0.00 0.00 34.13 32.77 3fyp s GLU 164 CO -0.06 -0.36 0.92 2.89 -0.56 0.00 0.00 175.26 178.09 3fyp n ARG 165 N 2.77 0.03 0.00 4.30 -4.01 -1.26 -0.25 116.66 118.23 3fyp n ARG 165 Ca 0.07 -0.94 0.00 0.00 -1.04 0.00 0.00 57.85 55.94 3fyp n ARG 165 Cb 0.41 -0.51 0.00 0.00 -3.04 0.00 0.00 32.46 29.32 3fyp n ARG 165 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3fyp n GLY 166 N -0.02 0.88 3.25 2.89 0.00 -1.26 -3.66 105.19 107.26 3fyp n GLY 166 Ca 0.00 -1.79 -0.28 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 -1.10 2.61 0.12 1.61 0.01 0.10 -4.12 113.70 112.93 3fyp s SER 167 Ca 0.00 -0.40 -0.35 0.00 1.31 0.00 0.00 55.95 56.50 3fyp s SER 167 Cb 0.00 -0.29 -0.15 0.00 0.21 0.00 0.00 66.02 65.79 3fyp s SER 167 CO 0.00 0.27 1.46 -0.24 0.41 0.00 0.00 173.24 175.14 3fyp n SER 168 N 2.52 2.35 -3.56 2.44 2.88 -0.32 -1.02 113.62 118.90 3fyp n SER 168 Ca -0.15 1.10 -0.29 0.00 -1.33 0.00 0.00 58.87 58.20 3fyp n SER 168 Cb 0.52 -1.30 -0.14 0.00 -0.75 0.00 0.00 64.21 62.54 3fyp n SER 168 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3fyp s PHE 169 N 0.71 0.78 0.00 0.66 5.36 -0.36 -4.82 117.98 120.31 3fyp s PHE 169 Ca 0.82 -1.36 0.00 0.00 -0.96 0.00 0.00 56.93 55.43 3fyp s PHE 169 Cb -0.82 -1.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 3fyp s PHE 169 CO 0.43 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.76 3fyp n GLY 170 N 4.68 0.70 3.72 13.12 0.00 -1.26 -4.08 105.19 122.07 3fyp n GLY 170 Ca 0.01 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 3.58 -1.06 1.61 2.02 -1.26 -4.50 117.35 117.73 3fyp s TYR 171 Ca 0.00 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.87 3fyp s TYR 171 Cb 0.00 -2.73 0.00 0.00 -0.40 0.00 0.00 41.96 38.83 3fyp s TYR 171 CO 0.00 0.14 0.00 -0.25 -1.57 0.00 0.00 175.55 173.87 3fyp n ASP 172 N 3.63 -4.93 -4.18 2.29 8.00 -1.26 -4.93 116.55 115.18 3fyp n ASP 172 Ca -0.03 0.25 -0.18 0.00 0.71 0.00 0.00 54.79 55.53 3fyp n ASP 172 Cb 0.51 -3.30 -0.12 0.00 -0.02 0.00 0.00 41.12 38.19 3fyp n ASP 172 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3fyp s ASN 173 N -2.56 1.69 0.16 -2.24 2.47 -1.26 -4.58 114.94 108.62 3fyp s ASN 173 Ca 0.00 -0.64 0.11 0.00 0.42 0.00 0.00 52.86 52.75 3fyp s ASN 173 Cb 0.00 -0.05 -0.04 0.00 -1.45 0.00 0.00 41.25 39.71 3fyp s ASN 173 CO 0.00 -0.09 -0.23 -0.76 -3.72 0.00 0.00 177.10 172.30 3fyp s LEU 174 N -1.82 2.46 0.01 3.21 1.43 -1.25 -1.22 118.68 121.50 3fyp s LEU 174 Ca -0.01 -0.76 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3fyp s LEU 174 Cb -0.09 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 3fyp s LEU 174 CO 0.02 0.15 -0.08 -0.69 0.23 0.00 0.00 176.35 175.98 3fyp s VAL 175 N -1.38 0.62 -0.35 -1.59 1.01 -0.19 -4.88 120.40 113.63 3fyp s VAL 175 Ca 0.18 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 3fyp s VAL 175 Cb -0.09 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 3fyp s VAL 175 CO 0.09 0.01 0.24 -0.69 0.00 0.00 0.00 175.10 174.75 3fyp s VAL 176 N -0.54 5.19 -0.59 2.92 1.01 -1.26 0.00 120.40 127.13 3fyp s VAL 176 Ca -0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 3fyp s VAL 176 Cb -0.05 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.66 3fyp s VAL 176 CO 0.00 -0.07 1.06 -0.62 0.00 0.00 0.00 175.10 175.48 3fyp s ASP 177 N 1.70 6.35 0.12 3.32 2.15 -1.26 -4.91 116.67 124.14 3fyp s ASP 177 Ca 0.06 -0.24 0.17 0.00 0.43 0.00 0.00 52.55 52.97 3fyp s ASP 177 Cb -0.18 -2.49 0.74 0.00 -0.30 0.00 0.00 42.92 40.69 3fyp s ASP 177 CO 0.10 -1.39 1.53 0.23 -0.17 0.00 0.00 175.17 175.47 3fyp n MET 178 N 8.00 0.08 0.12 4.34 2.81 -1.26 -1.47 117.12 129.75 3fyp n MET 178 Ca 0.04 0.36 0.12 0.00 -1.81 0.00 0.00 57.70 56.41 3fyp n MET 178 Cb 0.48 -1.67 0.20 0.00 -0.71 0.00 0.00 33.22 31.53 3fyp n MET 178 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3fyp h LEU 179 N 0.00 0.00 -1.05 4.03 3.38 -2.02 -3.32 115.31 116.33 3fyp h LEU 179 Ca 0.00 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3fyp h LEU 179 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3fyp h LEU 179 CO 0.00 0.03 0.01 1.23 0.09 0.00 0.00 178.44 179.80 3fyp h GLY 180 N 4.28 0.74 0.72 0.83 0.00 -1.67 -2.80 103.07 105.17 3fyp h GLY 180 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 46.91 3fyp h GLY 180 CO 0.00 0.43 0.27 0.74 0.00 0.00 0.00 176.54 177.98 3fyp h PHE 181 N 0.65 0.49 -0.41 5.60 -1.00 -1.72 -1.17 116.94 119.37 3fyp h PHE 181 Ca 0.13 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.81 3fyp h PHE 181 Cb 0.39 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 3fyp h PHE 181 CO 0.02 0.24 -0.23 0.78 -1.61 0.00 0.00 178.31 177.51 3fyp h GLY 182 N 0.52 0.89 1.01 -1.45 0.00 -1.73 -1.68 103.07 100.63 3fyp h GLY 182 Ca 0.23 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3fyp h GLY 182 CO -0.16 0.70 0.50 -2.08 0.00 0.00 0.00 176.54 175.50 3fyp h VAL 183 N 0.71 1.23 -0.34 4.60 2.07 -1.23 -0.67 116.25 122.62 3fyp h VAL 183 Ca 0.10 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3fyp h VAL 183 Cb 0.76 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3fyp h VAL 183 CO 0.06 0.24 -0.15 0.24 0.02 0.00 0.00 177.57 177.98 3fyp h MET 184 N 1.12 0.70 -0.46 1.57 2.86 -0.82 -1.85 114.93 118.05 3fyp h MET 184 Ca 0.29 -0.30 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3fyp h MET 184 Cb -0.05 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 3fyp h MET 184 CO -0.06 0.89 0.15 0.87 1.06 0.00 0.00 176.91 179.83 3fyp h LYS 185 N 0.47 0.31 0.00 1.72 1.57 -0.88 -0.34 116.57 119.42 3fyp h LYS 185 Ca 0.08 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3fyp h LYS 185 Cb 0.68 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3fyp h LYS 185 CO 0.05 0.21 -0.40 1.96 -0.57 0.00 0.00 179.45 180.70 3fyp h GLN 186 N 0.32 0.00 0.00 3.15 4.20 -0.84 -0.99 115.11 120.95 3fyp h GLN 186 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3fyp h GLN 186 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3fyp h GLN 186 CO -0.23 0.40 -0.77 0.25 -0.67 0.00 0.00 178.83 177.81 3fyp n THR 187 N -3.29 0.00 -1.24 -0.54 -2.24 -0.72 -4.53 114.28 101.73 3fyp n THR 187 Ca 0.01 -0.22 0.08 0.00 -2.27 0.00 0.00 64.05 61.65 3fyp n THR 187 Cb 0.63 0.86 0.18 0.00 -2.10 0.00 0.00 70.33 69.90 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 -1.23 0.29 3.14 0.00 0.00 -1.22 -3.02 105.19 103.14 3fyp n GLY 189 Ca 0.19 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 0.68 -5.34 -4.72 1.61 5.15 -0.38 -4.03 115.26 108.22 3fyp n ASN 190 Ca -0.08 -0.32 -0.37 0.00 -0.60 0.00 0.00 54.58 53.21 3fyp n ASN 190 Cb 0.48 -4.34 0.07 0.00 -0.53 0.00 0.00 39.78 35.46 3fyp n ASN 190 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3fyp n LEU 191 N -3.95 5.94 -4.64 1.20 4.77 -1.17 0.19 117.00 119.34 3fyp n LEU 191 Ca -0.08 0.82 -0.54 0.00 -0.03 0.00 0.00 56.01 56.18 3fyp n LEU 191 Cb 0.59 -1.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.07 3fyp n LEU 191 CO 0.49 -1.04 1.07 -2.65 -1.33 0.00 0.00 177.39 173.93 3fyp n PRO 192 N -1.89 1.14 -4.41 3.23 -0.02 -1.25 -4.82 135.00 126.98 3fyp n PRO 192 Ca 0.16 0.41 -0.34 0.00 -2.02 0.00 0.00 63.50 61.71 3fyp n PRO 192 Cb 0.48 -2.07 -0.12 0.00 -0.02 0.00 0.00 33.50 31.77 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 1.74 3.90 0.24 -1.45 1.01 -1.26 -0.97 120.40 123.61 3fyp s VAL 193 Ca 0.90 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.61 3fyp s VAL 193 Cb -1.01 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3fyp s VAL 193 CO 0.55 0.50 -0.14 0.27 0.00 0.00 0.00 175.10 176.28 3fyp s ILE 194 N 0.29 1.90 -0.24 2.22 -4.36 0.43 -0.93 121.20 120.51 3fyp s ILE 194 Ca -0.03 -2.24 0.02 0.00 -0.26 0.00 0.00 60.65 58.14 3fyp s ILE 194 Cb -0.14 -2.19 0.05 0.00 1.25 0.00 0.00 42.46 41.42 3fyp s ILE 194 CO 0.03 -0.49 -0.12 0.12 0.24 0.00 0.00 174.94 174.72 3fyp s PHE 195 N -2.87 3.16 -0.93 1.37 5.36 -0.67 -1.40 117.98 122.00 3fyp s PHE 195 Ca 0.26 -2.14 -0.24 0.00 -0.96 0.00 0.00 56.93 53.84 3fyp s PHE 195 Cb -0.01 -1.94 0.04 0.00 -0.34 0.00 0.00 43.02 40.78 3fyp s PHE 195 CO 0.10 -0.86 1.39 0.34 -1.46 0.00 0.00 175.22 174.74 3fyp s ASP 196 N 1.15 6.39 0.21 6.13 -1.08 0.66 -0.39 116.67 129.74 3fyp s ASP 196 Ca -0.06 -1.14 0.05 0.00 -0.52 0.00 0.00 52.55 50.89 3fyp s ASP 196 Cb -0.18 -2.57 0.14 0.00 -1.46 0.00 0.00 42.92 38.85 3fyp s ASP 196 CO -0.07 -1.61 1.48 1.62 0.52 0.00 0.00 175.17 177.12 3fyp h VAL 197 N 6.55 1.47 -0.11 1.11 3.04 -1.70 -3.17 116.25 123.44 3fyp h VAL 197 Ca 0.05 -2.36 -0.01 0.00 -1.01 0.00 0.00 66.70 63.37 3fyp h VAL 197 Cb 1.02 2.27 -0.00 0.00 -2.01 0.00 0.00 31.29 32.57 3fyp h VAL 197 CO 1.38 0.69 0.02 0.74 -1.01 0.00 0.00 177.57 179.39 3fyp h THR 198 N 0.10 1.21 0.00 3.17 2.02 -1.88 -2.74 112.91 114.78 3fyp h THR 198 Ca -0.02 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3fyp h THR 198 Cb 1.30 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3fyp h THR 198 CO 0.11 0.19 0.00 0.45 0.37 0.00 0.00 175.52 176.64 3fyp h HIS 199 N -0.04 0.00 0.00 3.16 3.86 -1.88 -2.80 115.15 117.44 3fyp h HIS 199 Ca 0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3fyp h HIS 199 Cb 0.27 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 3fyp h HIS 199 CO 0.01 0.00 -0.03 0.77 0.86 0.00 0.00 177.93 179.54 3fyp h SER 200 N 0.00 0.00 -0.37 2.45 0.02 -1.46 -2.26 113.55 111.94 3fyp h SER 200 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fyp h SER 200 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3fyp h SER 200 CO 0.00 0.03 0.00 0.18 -1.14 0.00 0.00 176.83 175.90 3fyp n LEU 201 N -3.14 2.39 -4.74 5.07 4.77 -1.06 -4.78 117.00 115.51 3fyp n LEU 201 Ca 0.01 -1.12 -0.41 0.00 -0.03 0.00 0.00 56.01 54.46 3fyp n LEU 201 Cb 0.33 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3fyp n LEU 201 CO 0.28 0.56 0.86 -1.10 -1.33 0.00 0.00 177.39 176.66 3fyp s GLN 202 N -1.51 4.52 0.03 3.23 -0.21 -0.85 -5.07 119.66 119.79 3fyp s GLN 202 Ca 0.33 1.83 0.00 0.00 0.02 0.00 0.00 55.36 57.53 3fyp s GLN 202 Cb 0.17 -3.25 0.00 0.00 1.00 0.00 0.00 33.01 30.93 3fyp s GLN 202 CO 0.24 -0.05 0.00 -2.37 -2.12 0.00 0.00 175.29 170.99 3fyp n THR 203 N 2.50 0.00 0.00 -0.19 5.66 -1.26 -3.92 114.28 117.08 3fyp n THR 203 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 3fyp n THR 203 Cb 0.45 -0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 3fyp n THR 203 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3fyp n GLY 213 N -1.18 0.26 0.16 1.09 0.00 -1.26 -4.78 105.19 99.49 3fyp n GLY 213 Ca 0.00 0.67 -0.05 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 -0.97 1.61 9.65 -2.00 0.99 114.38 123.66 3fyp h ARG 214 Ca 0.00 -0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 3fyp h ARG 214 Cb 0.00 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.51 3fyp h ARG 214 CO 0.00 0.00 0.62 0.07 2.80 0.00 0.00 179.97 183.47 3fyp h ARG 215 N 0.00 1.01 0.17 0.20 0.11 -1.99 0.19 114.38 114.07 3fyp h ARG 215 Ca 0.18 -0.06 -0.30 0.00 0.10 0.00 0.00 59.98 59.90 3fyp h ARG 215 Cb 0.28 -0.23 0.03 0.00 1.11 0.00 0.00 29.97 31.16 3fyp h ARG 215 CO -0.39 0.67 -1.32 0.00 0.10 0.00 0.00 179.97 179.03 3fyp h ALA 216 N 1.51 -0.01 0.03 0.08 0.00 -1.63 -3.12 119.26 116.12 3fyp h ALA 216 Ca 0.45 -0.83 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 3fyp h ALA 216 Cb 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fyp h ALA 216 CO -0.20 0.77 -0.99 1.96 0.00 0.00 0.00 179.25 180.79 3fyp h GLN 217 N 0.17 0.21 -0.67 0.00 1.08 0.13 -2.57 115.11 113.46 3fyp h GLN 217 Ca -0.19 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 56.69 3fyp h GLN 217 Cb 2.01 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 29.49 3fyp h GLN 217 CO 0.24 1.04 0.22 0.00 -0.95 0.00 0.00 178.83 179.38 3fyp h ALA 218 N 0.86 0.87 -0.27 3.87 0.00 -0.73 -0.93 119.26 122.93 3fyp h ALA 218 Ca -0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3fyp h ALA 218 Cb 1.66 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3fyp h ALA 218 CO 0.15 0.54 -0.10 1.25 0.00 0.00 0.00 179.25 181.09 3fyp h LEU 219 N 0.97 0.56 -0.87 0.00 5.85 -1.46 -1.23 115.31 119.13 3fyp h LEU 219 Ca 0.22 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3fyp h LEU 219 Cb 0.28 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3fyp h LEU 219 CO -0.01 0.83 0.47 0.44 -0.34 0.00 0.00 178.44 179.83 3fyp h ASP 220 N 0.29 1.09 -0.20 1.25 3.32 -1.26 0.17 116.42 121.08 3fyp h ASP 220 Ca 0.06 -0.10 -0.21 0.00 0.02 0.00 0.00 57.03 56.80 3fyp h ASP 220 Cb 0.60 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.88 3fyp h ASP 220 CO 0.03 0.88 -0.70 0.25 -1.72 0.00 0.00 179.24 177.98 3fyp h LEU 221 N 1.22 0.97 -0.55 1.55 5.85 -1.11 -1.84 115.31 121.39 3fyp h LEU 221 Ca 0.31 -0.59 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 3fyp h LEU 221 Cb 0.04 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3fyp h LEU 221 CO -0.05 1.40 -0.12 0.00 -0.34 0.00 0.00 178.44 179.33 3fyp h ALA 222 N 0.60 0.75 -0.58 1.25 0.00 -0.95 -2.29 119.26 118.03 3fyp h ALA 222 Ca -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3fyp h ALA 222 Cb 1.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3fyp h ALA 222 CO 0.15 0.68 0.19 -0.07 0.00 0.00 0.00 179.25 180.19 3fyp h LEU 223 N 0.92 0.84 -0.77 0.00 3.38 -0.92 -1.55 115.31 117.21 3fyp h LEU 223 Ca 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3fyp h LEU 223 Cb 0.69 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3fyp h LEU 223 CO 0.05 0.82 0.39 0.00 0.09 0.00 0.00 178.44 179.79 3fyp h ALA 224 N 1.05 1.00 -0.29 1.53 0.00 -1.10 -1.06 119.26 120.40 3fyp h ALA 224 Ca 0.19 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3fyp h ALA 224 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fyp h ALA 224 CO -0.01 0.54 -0.22 0.78 0.00 0.00 0.00 179.25 180.34 3fyp h GLY 225 N 1.09 0.71 2.00 0.00 0.00 -1.24 -2.91 103.07 102.72 3fyp h GLY 225 Ca 0.27 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3fyp h GLY 225 CO -0.04 0.63 -0.15 -0.33 0.00 0.00 0.00 176.54 176.66 3fyp h MET 226 N 0.40 0.00 0.00 4.80 2.07 -1.06 -1.51 114.93 119.63 3fyp h MET 226 Ca 0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 3fyp h MET 226 Cb 0.77 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.50 3fyp h MET 226 CO 0.06 0.15 0.00 0.00 1.07 0.00 0.00 176.91 178.19 3fyp n ALA 227 N -2.18 1.17 0.87 6.32 0.00 -0.42 -1.92 120.51 124.35 3fyp n ALA 227 Ca 0.00 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.73 3fyp n ALA 227 Cb 0.40 -1.32 0.27 0.00 0.00 0.00 0.00 19.45 18.80 3fyp n ALA 227 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3fyp n THR 228 N -2.22 0.24 -1.75 0.00 -2.24 -0.57 -4.98 114.28 102.76 3fyp n THR 228 Ca -0.01 -0.52 -0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3fyp n THR 228 Cb 0.07 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.98 -0.65 -4.43 -0.78 0.63 -0.81 -4.92 116.66 106.68 3fyp n ARG 229 Ca 0.17 0.93 -0.23 0.00 -0.92 0.00 0.00 57.85 57.80 3fyp n ARG 229 Cb 0.50 -2.01 -0.10 0.00 0.45 0.00 0.00 32.46 31.30 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 -0.59 2.57 0.34 6.15 1.43 -1.26 -4.88 118.68 122.44 3fyp s LEU 230 Ca 0.01 -1.01 0.17 0.00 -1.03 0.00 0.00 54.13 52.27 3fyp s LEU 230 Cb -0.00 -0.99 0.53 0.00 0.03 0.00 0.00 46.19 45.75 3fyp s LEU 230 CO 0.16 -0.01 1.66 0.00 0.23 0.00 0.00 176.35 178.39 3fyp h ALA 231 N 2.43 0.92 -1.61 4.21 0.00 -1.17 -3.42 119.26 120.62 3fyp h ALA 231 Ca -0.40 -0.39 0.28 0.00 0.00 0.00 0.00 54.91 54.40 3fyp h ALA 231 Cb 1.25 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 3fyp h ALA 231 CO 0.59 0.54 0.76 0.20 0.00 0.00 0.00 179.25 181.35 3fyp s GLY 232 N -4.39 -0.37 -0.03 0.00 0.00 -1.20 -1.34 107.32 99.99 3fyp s GLY 232 Ca 0.01 0.79 0.07 0.00 0.00 0.00 0.00 44.72 45.58 3fyp s GLY 232 CO 0.71 0.18 -0.22 -2.27 0.00 0.00 0.00 173.10 171.50 3fyp s LEU 233 N -2.81 2.03 -0.15 0.66 2.96 -0.47 -1.67 118.68 119.23 3fyp s LEU 233 Ca 0.13 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3fyp s LEU 233 Cb 0.03 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.57 3fyp s LEU 233 CO -0.03 0.26 -0.14 0.12 -1.32 0.00 0.00 176.35 175.24 3fyp s PHE 234 N -0.42 2.19 0.14 5.38 5.36 0.47 -0.81 117.98 130.29 3fyp s PHE 234 Ca 0.06 -1.25 -0.15 0.00 -0.96 0.00 0.00 56.93 54.63 3fyp s PHE 234 Cb -0.10 -1.60 0.03 0.00 -0.34 0.00 0.00 43.02 41.01 3fyp s PHE 234 CO 0.00 -0.68 0.39 -0.48 -1.46 0.00 0.00 175.22 173.00 3fyp s LEU 235 N 1.48 0.49 -0.00 6.12 0.05 -0.31 -2.19 118.68 124.32 3fyp s LEU 235 Ca 0.05 -0.44 0.06 0.00 0.05 0.00 0.00 54.13 53.85 3fyp s LEU 235 Cb -0.13 1.76 -0.02 0.00 -2.05 0.00 0.00 46.19 45.75 3fyp s LEU 235 CO -0.11 -0.89 -0.20 -1.61 -0.55 0.00 0.00 176.35 173.00 3fyp s GLU 236 N -3.84 1.55 0.45 1.48 2.02 -1.26 -2.42 118.70 116.68 3fyp s GLU 236 Ca 0.06 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.35 3fyp s GLU 236 Cb 0.02 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 3fyp s GLU 236 CO -0.09 0.41 0.16 -1.54 0.02 0.00 0.00 175.26 174.23 3fyp s SER 237 N -0.63 4.33 0.06 -0.19 1.04 -0.61 -1.39 113.70 116.30 3fyp s SER 237 Ca 0.07 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.26 3fyp s SER 237 Cb -0.08 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 3fyp s SER 237 CO -0.00 -0.69 -0.06 -1.38 0.98 0.00 0.00 173.24 172.09 3fyp s HIS 238 N -2.70 0.63 -0.27 5.02 -3.43 -0.87 -4.60 115.29 109.08 3fyp s HIS 238 Ca 0.32 -0.74 0.00 0.00 -0.80 0.00 0.00 55.06 53.84 3fyp s HIS 238 Cb 0.03 -0.40 0.00 0.00 -1.43 0.00 0.00 32.58 30.79 3fyp s HIS 238 CO 0.18 -0.18 0.67 -0.35 -2.00 0.00 0.00 174.74 173.07 3fyp n PRO 239 N 0.78 0.78 -0.66 -0.38 -0.04 -1.26 -2.01 135.00 132.21 3fyp n PRO 239 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3fyp n PRO 239 Cb 0.58 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 3fyp n PRO 239 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fyp n ALA 251 N 0.48 -2.81 -1.76 0.55 0.00 -1.26 -4.55 120.51 111.15 3fyp n ALA 251 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 3fyp n ALA 251 Cb 0.34 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.46 4.36 0.23 0.00 2.96 -0.49 -4.88 118.68 120.40 3fyp s LEU 252 Ca 0.00 2.88 -0.32 0.00 -0.22 0.00 0.00 54.13 56.47 3fyp s LEU 252 Cb 0.00 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.96 3fyp s LEU 252 CO 0.00 -0.93 1.69 -2.65 -1.32 0.00 0.00 176.35 173.14 3fyp n PRO 253 N 3.16 2.75 -0.23 0.98 -0.02 -1.26 -2.04 135.00 138.34 3fyp n PRO 253 Ca 0.12 0.99 -0.01 0.00 -2.02 0.00 0.00 63.50 62.58 3fyp n PRO 253 Cb 0.36 -2.82 0.21 0.00 -0.02 0.00 0.00 33.50 31.24 3fyp n PRO 253 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fyp h LEU 254 N 6.24 0.90 -0.48 2.45 5.85 -1.64 -1.09 115.31 127.54 3fyp h LEU 254 Ca -0.44 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3fyp h LEU 254 Cb 1.21 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3fyp h LEU 254 CO 0.91 0.70 0.00 0.00 -0.34 0.00 0.00 178.44 179.71 3fyp n HIS 255 N -4.38 0.47 1.20 1.25 1.44 -1.26 -1.19 115.22 112.75 3fyp n HIS 255 Ca 0.08 0.19 0.13 0.00 -2.01 0.00 0.00 57.72 56.11 3fyp n HIS 255 Cb 0.07 -0.81 0.27 0.00 0.12 0.00 0.00 29.99 29.63 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 -1.94 2.31 -0.28 2.39 4.77 -0.41 -4.33 117.00 119.51 3fyp n LEU 256 Ca 0.02 -0.77 -0.06 0.00 -0.03 0.00 0.00 56.01 55.17 3fyp n LEU 256 Cb 0.18 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3fyp n LEU 256 CO 0.15 0.39 1.04 0.25 -1.33 0.00 0.00 177.39 177.89 3fyp h LEU 257 N 3.58 1.04 -0.40 2.23 5.85 -1.22 -1.09 115.31 125.30 3fyp h LEU 257 Ca 0.00 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 3fyp h LEU 257 Cb 0.78 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3fyp h LEU 257 CO 0.00 0.92 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.83 3fyp h GLU 258 N 1.09 0.78 -0.43 1.25 4.81 -1.80 0.62 114.58 120.90 3fyp h GLU 258 Ca 0.25 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 3fyp h GLU 258 Cb 0.20 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3fyp h GLU 258 CO -0.02 0.93 -0.25 -0.44 -0.73 0.00 0.00 179.01 178.49 3fyp h ASP 259 N 0.60 0.98 0.19 1.04 3.32 -1.81 -0.25 116.42 120.48 3fyp h ASP 259 Ca 0.10 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 3fyp h ASP 259 Cb 0.65 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3fyp h ASP 259 CO 0.04 1.18 -0.13 0.15 -1.72 0.00 0.00 179.24 178.76 3fyp h PHE 260 N 0.77 -0.35 -0.26 4.55 3.57 -0.84 -3.07 116.94 121.32 3fyp h PHE 260 Ca 0.09 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3fyp h PHE 260 Cb 0.83 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3fyp h PHE 260 CO 0.06 -0.21 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.79 3fyp h LEU 261 N -0.33 0.39 -0.82 0.59 3.38 -0.75 -2.10 115.31 115.68 3fyp h LEU 261 Ca -0.01 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3fyp h LEU 261 Cb 0.29 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 3fyp h LEU 261 CO -0.00 0.51 0.45 0.40 0.09 0.00 0.00 178.44 179.89 3fyp h ILE 262 N 0.40 0.85 -0.01 1.22 2.04 -0.95 0.41 117.51 121.47 3fyp h ILE 262 Ca 0.08 -0.25 -0.23 0.00 1.00 0.00 0.00 64.86 65.47 3fyp h ILE 262 Cb 0.38 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3fyp h ILE 262 CO 0.02 0.13 -0.93 0.03 0.00 0.00 0.00 178.15 177.40 3fyp h ARG 263 N 0.72 0.47 -0.26 2.37 3.08 -1.38 -1.30 114.38 118.07 3fyp h ARG 263 Ca 0.41 -0.48 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3fyp h ARG 263 Cb 0.45 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3fyp h ARG 263 CO -0.28 1.13 -0.19 0.82 -1.07 0.00 0.00 179.97 180.37 3fyp h ILE 264 N 0.27 1.31 -0.68 2.04 1.08 -1.06 -2.35 117.51 118.12 3fyp h ILE 264 Ca -0.08 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.05 3fyp h ILE 264 Cb 1.56 1.59 -0.03 0.00 -3.07 0.00 0.00 36.82 36.87 3fyp h ILE 264 CO 0.16 0.42 0.39 0.50 -0.69 0.00 0.00 178.15 178.93 3fyp h LYS 265 N 0.32 0.93 -0.53 2.37 3.64 -0.87 0.80 116.57 123.23 3fyp h LYS 265 Ca 0.05 -0.10 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 3fyp h LYS 265 Cb 0.74 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.28 3fyp h LYS 265 CO 0.05 0.69 0.05 0.00 -2.27 0.00 0.00 179.45 177.97 3fyp h ALA 266 N 1.19 0.55 -0.06 5.00 0.00 -1.00 0.16 119.26 125.11 3fyp h ALA 266 Ca 0.24 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 3fyp h ALA 266 Cb 0.01 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fyp h ALA 266 CO -0.04 -0.36 -0.51 1.25 0.00 0.00 0.00 179.25 179.59 3fyp h LEU 267 N 0.17 0.56 -0.56 0.00 6.46 -1.02 -2.80 115.31 118.11 3fyp h LEU 267 Ca 0.27 -0.69 0.02 0.00 -0.12 0.00 0.00 57.88 57.36 3fyp h LEU 267 Cb 0.41 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 3fyp h LEU 267 CO -0.41 1.16 0.36 -0.78 -0.62 0.00 0.00 178.44 178.15 3fyp h ASP 268 N -0.00 0.60 -0.92 1.25 3.58 -0.63 -1.10 116.42 119.20 3fyp h ASP 268 Ca -0.05 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.40 3fyp h ASP 268 Cb 1.18 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 42.05 3fyp h ASP 268 CO 0.10 0.43 0.59 0.44 -2.88 0.00 0.00 179.24 177.92 3fyp h ASP 269 N 0.72 1.07 -0.03 2.28 3.32 -0.68 0.09 116.42 123.19 3fyp h ASP 269 Ca 0.22 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3fyp h ASP 269 Cb -0.03 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 3fyp h ASP 269 CO -0.07 0.79 -0.02 0.25 -1.72 0.00 0.00 179.24 178.47 3fyp h LEU 270 N 1.25 0.06 -0.47 1.55 5.85 -1.13 -2.45 115.31 119.96 3fyp h LEU 270 Ca 0.33 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3fyp h LEU 270 Cb -0.12 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3fyp h LEU 270 CO -0.07 0.49 0.25 0.40 -0.34 0.00 0.00 178.44 179.16 3fyp h ILE 271 N -0.36 1.18 0.00 4.05 1.08 -0.95 -2.00 117.51 120.50 3fyp h ILE 271 Ca 0.01 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3fyp h ILE 271 Cb 0.47 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3fyp h ILE 271 CO 0.00 0.19 0.00 0.11 -0.69 0.00 0.00 178.15 177.77 3fyp h LYS 272 N 0.62 0.00 0.00 2.37 1.79 -1.01 -2.28 116.57 118.06 3fyp h LYS 272 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3fyp h LYS 272 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3fyp h LYS 272 CO -0.02 0.00 -0.38 -1.13 -1.08 0.00 0.00 179.45 176.83 3fyp n SER 273 N -2.49 0.64 -4.73 0.86 3.41 -0.76 -4.80 113.62 105.75 3fyp n SER 273 Ca 0.02 0.23 -0.38 0.00 -0.26 0.00 0.00 58.87 58.48 3fyp n SER 273 Cb 0.27 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 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 -3.11 4.32 0.65 4.33 -0.21 -0.86 -5.04 119.66 119.74 3fyp s GLN 274 Ca 0.09 0.43 -0.18 0.00 0.02 0.00 0.00 55.36 55.72 3fyp s GLN 274 Cb 0.14 -3.43 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 3fyp s GLN 274 CO 0.67 0.18 1.30 -0.35 -2.12 0.00 0.00 175.29 174.97 3fyp n PRO 275 N 3.60 1.14 -2.27 2.91 -0.04 -1.26 -4.98 135.00 134.10 3fyp n PRO 275 Ca -0.07 0.45 -0.36 0.00 -0.04 0.00 0.00 63.50 63.48 3fyp n PRO 275 Cb 0.52 -2.54 -0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3fyp n PRO 275 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fyp s ILE 276 N -1.38 3.16 0.00 0.52 1.01 -1.26 -5.15 121.20 118.11 3fyp s ILE 276 Ca 0.82 0.76 0.00 0.00 0.00 0.00 0.00 60.65 62.23 3fyp s ILE 276 Cb -0.38 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.76 3fyp s ILE 276 CO 0.40 -0.12 0.00 -0.11 0.00 0.00 0.00 174.94 175.11