#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qif s GLU 2 N 0.00 3.07 -0.00 2.12 8.01 0.48 -4.95 118.70 127.43 2qif s GLU 2 Ca 0.00 -1.01 -0.05 0.00 0.01 0.00 0.00 54.97 53.92 2qif s GLU 2 Cb 0.00 -2.69 -0.00 0.00 -4.31 0.00 0.00 34.13 27.13 2qif s GLU 2 CO 0.00 0.29 0.10 -0.65 0.01 0.00 0.00 175.26 175.01 2qif s GLN 3 N -3.97 0.38 -0.12 1.61 -0.21 -1.26 -0.80 119.66 115.28 2qif s GLN 3 Ca 0.37 -0.34 -0.11 0.00 0.02 0.00 0.00 55.36 55.29 2qif s GLN 3 Cb -0.08 0.16 0.03 0.00 1.00 0.00 0.00 33.01 34.12 2qif s GLN 3 CO 0.28 -0.08 0.33 0.21 -2.12 0.00 0.00 175.29 173.90 2qif s LYS 4 N -1.13 0.38 -0.13 2.91 2.47 0.04 -5.00 119.74 119.29 2qif s LYS 4 Ca -0.12 0.46 -0.02 0.00 -1.56 0.00 0.00 55.97 54.72 2qif s LYS 4 Cb -0.07 0.18 -0.03 0.00 -1.46 0.00 0.00 37.83 36.46 2qif s LYS 4 CO 0.01 -0.05 -0.04 0.99 0.16 0.00 0.00 175.35 176.42 2qif s THR 5 N 0.19 3.89 -0.02 3.43 2.01 -1.26 -0.68 115.64 123.20 2qif s THR 5 Ca -0.00 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.69 2qif s THR 5 Cb -0.02 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2qif s THR 5 CO 0.00 0.53 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.48 2qif s LEU 6 N -0.08 2.25 -0.09 4.42 1.43 0.37 -4.97 118.68 122.01 2qif s LEU 6 Ca 0.02 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 2qif s LEU 6 Cb -0.13 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2qif s LEU 6 CO 0.03 0.31 0.54 -1.58 0.23 0.00 0.00 176.35 175.88 2qif s GLN 7 N -0.76 4.36 -0.07 1.70 2.00 -1.26 -1.25 119.66 124.37 2qif s GLN 7 Ca 0.11 0.58 0.02 0.00 -2.00 0.00 0.00 55.36 54.07 2qif s GLN 7 Cb -0.10 -3.43 0.01 0.00 0.80 0.00 0.00 33.01 30.29 2qif s GLN 7 CO 0.00 0.16 -0.12 0.08 -0.50 0.00 0.00 175.29 174.91 2qif s VAL 8 N 0.58 1.12 0.02 1.34 1.01 0.11 -1.14 120.40 123.43 2qif s VAL 8 Ca 0.29 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2qif s VAL 8 Cb -0.16 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2qif s VAL 8 CO 0.13 0.36 -0.02 -1.61 0.00 0.00 0.00 175.10 173.96 2qif s GLU 9 N 0.79 2.68 0.00 2.72 2.02 0.73 -4.56 118.70 123.08 2qif s GLU 9 Ca -0.12 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2qif s GLU 9 Cb -0.15 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.48 2qif s GLU 9 CO 0.02 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.31 2qif n GLY 10 N 1.27 1.97 3.75 -1.39 0.00 -1.26 -1.33 105.19 108.21 2qif n GLY 10 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2qif n GLY 10 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qif s MET 11 N -0.58 4.60 0.00 1.61 -1.94 -1.26 -4.94 119.30 116.79 2qif s MET 11 Ca 0.00 1.80 0.00 0.00 -1.71 0.00 0.00 55.69 55.78 2qif s MET 11 Cb 0.00 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.62 2qif s MET 11 CO 0.00 0.12 0.04 -1.13 -0.01 0.00 0.00 175.02 174.04 2qif n SER 12 N 1.71 0.09 -3.30 3.03 3.41 -1.26 -5.05 113.62 112.25 2qif n SER 12 Ca 0.01 -0.37 -0.05 0.00 -0.26 0.00 0.00 58.87 58.19 2qif n SER 12 Cb 0.45 0.37 0.01 0.00 -0.26 0.00 0.00 64.21 64.79 2qif n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qif h GLN 14 N 2.00 0.00 -0.61 0.00 1.08 -1.99 -1.74 115.11 113.85 2qif h GLN 14 Ca -0.28 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.87 2qif h GLN 14 Cb 1.23 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.63 2qif h GLN 14 CO 0.35 0.13 0.18 0.45 -0.95 0.00 0.00 178.83 179.00 2qif h HIS 15 N 0.00 0.95 -0.41 2.96 3.86 -1.99 -1.44 115.15 119.09 2qif h HIS 15 Ca -0.00 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2qif h HIS 15 Cb 0.50 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 2qif h HIS 15 CO 0.00 0.77 0.13 0.00 0.86 0.00 0.00 177.93 179.69 2qif h VAL 17 N 0.51 0.76 -0.35 0.00 2.07 -1.20 -1.50 116.25 116.54 2qif h VAL 17 Ca 0.13 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.57 2qif h VAL 17 Cb 0.25 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2qif h VAL 17 CO -0.01 0.00 -0.11 0.50 0.02 0.00 0.00 177.57 177.98 2qif h LYS 18 N 0.01 0.61 -0.78 1.57 3.64 -1.08 -1.05 116.57 119.48 2qif h LYS 18 Ca 0.12 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2qif h LYS 18 Cb 0.18 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2qif h LYS 18 CO -0.24 0.71 0.42 0.00 -2.27 0.00 0.00 179.45 178.06 2qif h ALA 19 N 1.33 1.00 -0.14 5.00 0.00 -0.57 -0.19 119.26 125.69 2qif h ALA 19 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2qif h ALA 19 Cb 0.52 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qif h ALA 19 CO 0.03 0.52 -0.08 0.28 0.00 0.00 0.00 179.25 180.00 2qif h VAL 20 N 1.09 1.32 -0.74 0.00 2.07 -0.96 -0.62 116.25 118.42 2qif h VAL 20 Ca 0.28 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2qif h VAL 20 Cb 0.04 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2qif h VAL 20 CO -0.04 0.33 0.48 -0.33 0.02 0.00 0.00 177.57 178.03 2qif h GLU 21 N -0.05 0.93 -0.02 1.57 4.39 -1.06 -0.54 114.58 119.80 2qif h GLU 21 Ca 0.03 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2qif h GLU 21 Cb 0.56 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2qif h GLU 21 CO 0.02 0.61 0.01 1.15 -1.16 0.00 0.00 179.01 179.64 2qif h THR 22 N 0.96 1.15 -0.23 1.13 2.02 -0.94 0.22 112.91 117.21 2qif h THR 22 Ca 0.28 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 2qif h THR 22 Cb -0.05 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2qif h THR 22 CO -0.08 0.11 -0.39 0.77 0.37 0.00 0.00 175.52 176.30 2qif h SER 23 N -0.15 0.54 0.04 4.18 4.64 -0.87 -1.33 113.55 120.62 2qif h SER 23 Ca 0.01 -0.23 -0.21 0.00 -0.47 0.00 0.00 61.79 60.88 2qif h SER 23 Cb 0.18 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 62.14 2qif h SER 23 CO -0.00 0.88 -0.85 0.58 -0.87 0.00 0.00 176.83 176.56 2qif h VAL 24 N 0.43 1.38 0.00 0.95 2.07 -1.05 -3.26 116.25 116.77 2qif h VAL 24 Ca 0.04 -2.25 -0.04 0.00 0.82 0.00 0.00 66.70 65.26 2qif h VAL 24 Cb 0.87 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 2qif h VAL 24 CO 0.07 0.67 -0.20 1.23 0.02 0.00 0.00 177.57 179.36 2qif h GLY 25 N 0.04 0.00 2.00 2.17 0.00 -0.43 -1.39 103.07 105.46 2qif h GLY 25 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2qif h GLY 25 CO 0.17 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.89 2qif n GLU 26 N -3.90 0.02 -2.55 4.80 1.02 -0.51 -4.80 120.64 114.72 2qif n GLU 26 Ca -0.02 0.14 -0.42 0.00 -0.02 0.00 0.00 57.16 56.84 2qif n GLU 26 Cb 0.29 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 2qif n GLU 26 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qif s LEU 27 N -3.10 4.35 0.15 -4.62 1.43 -0.53 -4.96 118.68 111.40 2qif s LEU 27 Ca 0.10 1.83 -0.31 0.00 -1.03 0.00 0.00 54.13 54.72 2qif s LEU 27 Cb 0.14 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.68 2qif s LEU 27 CO 0.41 -0.41 1.76 -0.62 0.23 0.00 0.00 176.35 177.72 2qif s ASP 28 N 1.10 6.43 0.00 2.29 2.15 -1.26 -1.57 116.67 125.81 2qif s ASP 28 Ca 0.55 2.76 0.00 0.00 0.43 0.00 0.00 52.55 56.30 2qif s ASP 28 Cb -0.25 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 2qif s ASP 28 CO 0.27 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 2qif n GLY 29 N 4.09 2.71 3.73 2.66 0.00 -1.26 -4.11 105.19 113.01 2qif n GLY 29 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qif n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qif s VAL 30 N -2.57 4.40 -0.24 1.61 1.01 -0.61 -0.50 120.40 123.50 2qif s VAL 30 Ca 0.00 1.97 0.06 0.00 0.00 0.00 0.00 61.98 64.01 2qif s VAL 30 Cb 0.00 -4.26 -0.19 0.00 0.00 0.00 0.00 36.38 31.93 2qif s VAL 30 CO 0.00 0.29 -0.15 -1.54 0.00 0.00 0.00 175.10 173.70 2qif n SER 31 N 2.85 1.47 -3.52 3.32 3.41 0.89 -4.96 113.62 117.08 2qif n SER 31 Ca 0.03 -0.10 -0.16 0.00 -0.26 0.00 0.00 58.87 58.37 2qif n SER 31 Cb 0.49 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 2qif n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qif s ALA 32 N -2.51 -1.79 0.03 7.33 0.00 -1.09 -4.98 121.76 118.75 2qif s ALA 32 Ca -0.29 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.03 2qif s ALA 32 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2qif s ALA 32 CO 0.66 -0.39 -0.13 0.08 0.00 0.00 0.00 175.76 175.98 2qif s VAL 33 N -1.34 1.01 -0.03 0.00 1.01 -1.26 -1.26 120.40 118.53 2qif s VAL 33 Ca -0.09 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 2qif s VAL 33 Cb -0.00 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2qif s VAL 33 CO 0.07 -0.01 0.05 -2.28 0.00 0.00 0.00 175.10 172.93 2qif s HIS 34 N -0.83 -0.00 -0.13 5.22 2.46 0.10 -5.00 115.29 117.12 2qif s HIS 34 Ca 0.01 0.19 -0.02 0.00 0.47 0.00 0.00 55.06 55.70 2qif s HIS 34 Cb -0.08 -0.21 -0.03 0.00 -0.13 0.00 0.00 32.58 32.14 2qif s HIS 34 CO 0.01 -0.10 -0.05 0.08 -2.47 0.00 0.00 174.74 172.21 2qif s VAL 35 N 1.08 3.83 -0.40 0.89 1.01 -1.26 -0.60 120.40 124.96 2qif s VAL 35 Ca -0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2qif s VAL 35 Cb -0.13 -2.65 0.09 0.00 0.00 0.00 0.00 36.38 33.69 2qif s VAL 35 CO -0.03 0.52 0.19 0.21 0.00 0.00 0.00 175.10 175.99 2qif s ASN 36 N 0.06 5.36 0.05 3.32 3.84 0.31 -4.98 114.94 122.89 2qif s ASN 36 Ca -0.01 -1.69 -0.24 0.00 0.21 0.00 0.00 52.86 51.14 2qif s ASN 36 Cb -0.14 -1.88 -0.16 0.00 -0.55 0.00 0.00 41.25 38.53 2qif s ASN 36 CO 0.03 -0.50 1.55 0.25 -2.79 0.00 0.00 177.10 175.65 2qif h LEU 37 N 8.19 0.05 -0.94 3.21 6.46 -1.97 0.06 115.31 130.36 2qif h LEU 37 Ca -0.19 -0.20 0.11 0.00 -0.12 0.00 0.00 57.88 57.48 2qif h LEU 37 Cb 1.06 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.90 2qif h LEU 37 CO 0.70 0.23 0.57 -0.08 -0.62 0.00 0.00 178.44 179.25 2qif h GLU 38 N -0.14 0.91 -0.00 1.25 4.22 -1.96 -1.81 114.58 117.05 2qif h GLU 38 Ca 0.01 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2qif h GLU 38 Cb 0.20 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qif h GLU 38 CO -0.00 0.60 -0.53 0.00 -2.18 0.00 0.00 179.01 176.90 2qif n ALA 39 N -2.36 3.66 -3.45 2.92 0.00 -1.06 -4.95 120.51 115.27 2qif n ALA 39 Ca 0.17 -0.43 -0.18 0.00 0.00 0.00 0.00 53.44 53.00 2qif n ALA 39 Cb 0.31 -1.04 0.09 0.00 0.00 0.00 0.00 19.45 18.81 2qif n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qif n GLY 40 N 1.46 -0.39 3.13 0.00 0.00 -0.05 -4.88 105.19 104.45 2qif n GLY 40 Ca 0.07 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 2qif n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qif s LYS 41 N -5.55 0.83 -0.11 1.61 -0.14 -0.84 0.04 119.74 115.58 2qif s LYS 41 Ca 0.13 -0.76 0.01 0.00 -1.36 0.00 0.00 55.97 53.99 2qif s LYS 41 Cb -0.06 -0.81 0.02 0.00 -1.68 0.00 0.00 37.83 35.31 2qif s LYS 41 CO 0.72 0.19 -0.12 0.08 -0.76 0.00 0.00 175.35 175.46 2qif s VAL 42 N -0.95 1.30 -0.16 3.17 1.01 -0.38 -0.53 120.40 123.86 2qif s VAL 42 Ca -0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2qif s VAL 42 Cb -0.08 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2qif s VAL 42 CO 0.01 0.41 0.04 -1.81 0.00 0.00 0.00 175.10 173.75 2qif s ASP 43 N 1.22 5.50 -0.03 3.32 1.01 0.23 -0.48 116.67 127.46 2qif s ASP 43 Ca -0.03 0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.33 2qif s ASP 43 Cb -0.14 -1.88 0.01 0.00 1.01 0.00 0.00 42.92 41.92 2qif s ASP 43 CO -0.04 0.22 -0.06 -0.69 0.21 0.00 0.00 175.17 174.81 2qif s VAL 44 N 0.11 0.57 -0.15 -1.27 1.01 0.14 -0.72 120.40 120.09 2qif s VAL 44 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 2qif s VAL 44 Cb -0.12 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2qif s VAL 44 CO 0.01 0.20 0.06 -0.94 0.00 0.00 0.00 175.10 174.43 2qif s SER 45 N 0.43 5.64 0.15 3.32 1.04 -0.39 -0.78 113.70 123.11 2qif s SER 45 Ca -0.06 0.14 -0.24 0.00 0.48 0.00 0.00 55.95 56.28 2qif s SER 45 Cb -0.10 -1.88 0.07 0.00 0.10 0.00 0.00 66.02 64.21 2qif s SER 45 CO 0.00 0.25 0.69 0.72 0.98 0.00 0.00 173.24 175.88 2qif s PHE 46 N -0.06 -0.43 -0.55 5.02 -0.71 0.02 -0.08 117.98 121.18 2qif s PHE 46 Ca 0.06 0.19 -0.22 0.00 -1.04 0.00 0.00 56.93 55.93 2qif s PHE 46 Cb -0.12 0.58 0.06 0.00 -1.21 0.00 0.00 43.02 42.33 2qif s PHE 46 CO 0.01 -0.85 0.81 0.34 -1.34 0.00 0.00 175.22 174.19 2qif s ASP 47 N -2.73 6.26 0.12 1.98 -1.08 0.35 -0.39 116.67 121.17 2qif s ASP 47 Ca 0.04 -0.76 0.14 0.00 -0.52 0.00 0.00 52.55 51.46 2qif s ASP 47 Cb -0.02 -2.37 0.65 0.00 -1.46 0.00 0.00 42.92 39.72 2qif s ASP 47 CO -0.09 -1.13 1.44 0.00 0.52 0.00 0.00 175.17 175.92 2qif n ALA 48 N 6.92 1.38 0.26 3.66 0.00 -1.25 -1.26 120.51 130.22 2qif n ALA 48 Ca -0.03 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.59 2qif n ALA 48 Cb 0.46 -1.23 0.41 0.00 0.00 0.00 0.00 19.45 19.09 2qif n ALA 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qif h ASP 49 N 0.00 0.00 0.00 0.00 3.32 -1.98 -3.37 116.42 114.40 2qif h ASP 49 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 2qif h ASP 49 Cb 0.17 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2qif h ASP 49 CO 0.00 0.00 -1.74 0.29 -1.72 0.00 0.00 179.24 176.07 2qif n LYS 50 N -3.04 1.22 -4.04 3.56 5.02 -0.39 -5.04 118.16 115.45 2qif n LYS 50 Ca 0.03 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 2qif n LYS 50 Cb 0.42 -1.27 -0.12 0.00 -0.02 0.00 0.00 35.03 34.04 2qif n LYS 50 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qif s VAL 51 N -2.26 0.34 0.31 -0.18 0.11 -0.78 -4.83 120.40 113.12 2qif s VAL 51 Ca -0.12 -0.73 0.08 0.00 -2.93 0.00 0.00 61.98 58.28 2qif s VAL 51 Cb 0.04 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2qif s VAL 51 CO 0.36 -0.26 0.15 -0.94 -3.33 0.00 0.00 175.10 171.08 2qif s SER 52 N -1.05 4.93 0.24 3.54 1.04 -1.26 -3.97 113.70 117.17 2qif s SER 52 Ca -0.08 -0.60 -0.04 0.00 0.48 0.00 0.00 55.95 55.71 2qif s SER 52 Cb -0.07 -0.92 0.41 0.00 0.10 0.00 0.00 66.02 65.54 2qif s SER 52 CO -0.00 -0.20 1.79 0.58 0.98 0.00 0.00 173.24 176.39 2qif h VAL 53 N 1.54 0.85 -0.49 5.02 2.07 -1.99 -1.49 116.25 121.76 2qif h VAL 53 Ca -0.45 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 2qif h VAL 53 Cb 1.25 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2qif h VAL 53 CO 0.61 0.13 -0.03 0.50 0.02 0.00 0.00 177.57 178.80 2qif h LYS 54 N 0.70 0.83 -0.81 1.57 1.63 -1.99 0.79 116.57 119.30 2qif h LYS 54 Ca 0.40 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 59.96 2qif h LYS 54 Cb 0.43 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 2qif h LYS 54 CO -0.28 0.85 0.53 -0.44 -3.45 0.00 0.00 179.45 176.67 2qif h ASP 55 N 0.77 0.92 -0.08 4.20 3.32 -1.77 0.20 116.42 123.97 2qif h ASP 55 Ca 0.14 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2qif h ASP 55 Cb 0.51 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2qif h ASP 55 CO 0.03 0.67 0.01 0.40 -1.72 0.00 0.00 179.24 178.62 2qif h ILE 56 N 1.09 1.23 -0.62 0.35 2.04 -0.63 -1.30 117.51 119.67 2qif h ILE 56 Ca 0.30 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.49 2qif h ILE 56 Cb -0.12 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2qif h ILE 56 CO -0.07 0.20 0.36 0.00 0.00 0.00 0.00 178.15 178.64 2qif h ALA 57 N 0.76 0.81 -0.46 1.87 0.00 -0.68 -2.02 119.26 119.54 2qif h ALA 57 Ca 0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2qif h ALA 57 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qif h ALA 57 CO 0.00 0.07 0.00 -0.44 0.00 0.00 0.00 179.25 178.88 2qif h ASP 58 N 0.69 0.72 -0.77 0.00 3.32 -0.43 -0.53 116.42 119.42 2qif h ASP 58 Ca 0.26 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2qif h ASP 58 Cb 0.09 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2qif h ASP 58 CO -0.14 0.79 0.31 0.00 -1.72 0.00 0.00 179.24 178.48 2qif h ALA 59 N 1.30 1.00 -0.38 3.45 0.00 -0.82 0.11 119.26 123.92 2qif h ALA 59 Ca 0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2qif h ALA 59 Cb 0.43 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qif h ALA 59 CO 0.02 0.62 -0.09 0.82 0.00 0.00 0.00 179.25 180.62 2qif h ILE 60 N 1.11 1.28 -0.17 0.00 2.04 -0.84 -2.84 117.51 118.08 2qif h ILE 60 Ca 0.26 -1.17 -0.09 0.00 1.00 0.00 0.00 64.86 64.86 2qif h ILE 60 Cb 0.21 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2qif h ILE 60 CO -0.02 0.39 -0.28 -0.33 0.00 0.00 0.00 178.15 177.90 2qif h GLU 61 N 0.53 0.33 0.00 2.37 5.08 -0.80 -2.06 114.58 120.03 2qif h GLU 61 Ca 0.10 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2qif h GLU 61 Cb 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2qif h GLU 61 CO 0.04 0.59 0.00 -0.44 -1.00 0.00 0.00 179.01 178.20 2qif h ASP 62 N 0.29 0.00 0.07 1.42 3.32 -0.61 0.23 116.42 121.14 2qif h ASP 62 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2qif h ASP 62 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2qif h ASP 62 CO 0.05 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 177.53 2qif n GLN 63 N -2.95 1.28 0.00 3.56 1.13 -0.78 -4.93 117.38 114.69 2qif n GLN 63 Ca -0.00 -0.58 0.00 0.00 -1.94 0.00 0.00 57.00 54.48 2qif n GLN 63 Cb 0.23 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.09 2qif n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qif n GLY 64 N 1.16 1.00 3.80 1.08 0.00 0.07 -5.08 105.19 107.23 2qif n GLY 64 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2qif n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qif s TYR 65 N -2.00 3.22 0.07 1.61 2.02 -1.16 -4.96 117.35 116.15 2qif s TYR 65 Ca 0.00 0.07 -0.21 0.00 -0.37 0.00 0.00 57.07 56.56 2qif s TYR 65 Cb 0.00 -1.61 -0.06 0.00 -0.40 0.00 0.00 41.96 39.89 2qif s TYR 65 CO 0.00 0.53 0.63 -0.51 -1.57 0.00 0.00 175.55 174.63 2qif s ASP 66 N -2.60 7.11 -0.20 2.29 1.01 -0.44 -3.89 116.67 119.96 2qif s ASP 66 Ca 0.30 1.32 -0.04 0.00 0.71 0.00 0.00 52.55 54.84 2qif s ASP 66 Cb -0.12 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2qif s ASP 66 CO 0.23 0.20 -0.02 -0.69 0.21 0.00 0.00 175.17 175.10 2qif s VAL 67 N -0.79 3.75 -2.00 -1.27 1.01 -1.26 -0.19 120.40 119.64 2qif s VAL 67 Ca 0.32 -0.38 0.19 0.00 0.00 0.00 0.00 61.98 62.10 2qif s VAL 67 Cb -0.20 -2.69 0.53 0.00 0.00 0.00 0.00 36.38 34.03 2qif s VAL 67 CO 0.20 0.44 1.52 0.00 0.00 0.00 0.00 175.10 177.25