#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c n LYS 3 N 0.00 0.14 -3.03 0.54 5.02 -1.26 -4.90 118.16 114.67 3i9c n LYS 3 Ca 0.00 0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 3i9c n LYS 3 Cb 0.00 -1.18 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 3i9c n LYS 3 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3i9c s MET 4 N -1.27 4.44 0.62 1.97 -1.94 -1.26 -5.05 119.30 116.82 3i9c s MET 4 Ca 0.60 0.92 -0.14 0.00 -1.71 0.00 0.00 55.69 55.36 3i9c s MET 4 Cb -0.51 -3.43 -0.03 0.00 2.01 0.00 0.00 34.83 32.87 3i9c s MET 4 CO 0.63 0.10 1.04 0.15 -0.01 0.00 0.00 175.02 176.93 3i9c s LYS 5 N 0.66 3.31 0.26 2.03 1.02 -1.26 -4.93 119.74 120.83 3i9c s LYS 5 Ca 0.38 1.03 0.20 0.00 0.02 0.00 0.00 55.97 57.60 3i9c s LYS 5 Cb -0.18 -2.04 0.08 0.00 -0.52 0.00 0.00 37.83 35.17 3i9c s LYS 5 CO 0.19 -0.80 1.24 1.79 -0.92 0.00 0.00 175.35 176.84 3i9c h THR 6 N 0.02 0.26 -3.23 2.17 1.35 -1.90 -3.50 112.91 108.09 3i9c h THR 6 Ca -0.45 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 3i9c h THR 6 Cb 1.21 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 3i9c h THR 6 CO 0.58 0.15 -0.07 1.57 -0.25 0.00 0.00 175.52 177.51 3i9c n HIS 7 N -2.94 -0.37 0.25 4.73 -0.00 -1.26 -4.43 115.22 111.20 3i9c n HIS 7 Ca -0.00 0.15 0.11 0.00 0.46 0.00 0.00 57.72 58.44 3i9c n HIS 7 Cb 0.64 -1.76 0.53 0.00 -0.12 0.00 0.00 29.99 29.28 3i9c n HIS 7 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3i9c n LYS 8 N -0.31 0.16 0.26 1.57 4.76 -1.26 -2.41 118.16 120.93 3i9c n LYS 8 Ca 0.01 0.55 0.16 0.00 -2.87 0.00 0.00 58.31 56.16 3i9c n LYS 8 Cb 0.03 -1.91 0.89 0.00 -1.84 0.00 0.00 35.03 32.20 3i9c n LYS 8 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3i9c h GLY 9 N 0.88 0.00 0.00 0.72 0.00 -2.00 -2.94 103.07 99.74 3i9c h GLY 9 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 3i9c h GLY 9 CO 0.00 0.00 -1.90 0.00 0.00 0.00 0.00 176.54 174.64 3i9c n ALA 10 N -2.32 1.67 0.62 3.60 0.00 -1.01 -4.27 120.51 118.81 3i9c n ALA 10 Ca -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 53.44 52.59 3i9c n ALA 10 Cb 0.18 -0.02 0.11 0.00 0.00 0.00 0.00 19.45 19.72 3i9c n ALA 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i9c n LYS 11 N -2.52 0.31 0.00 0.00 4.81 -1.12 -1.00 118.16 118.65 3i9c n LYS 11 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 3i9c n LYS 11 Cb 0.92 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.78 3i9c n LYS 11 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i9c n LYS 12 N -0.69 -0.40 0.00 1.64 5.02 -1.17 -4.75 118.16 117.81 3i9c n LYS 12 Ca 0.03 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 3i9c n LYS 12 Cb 0.01 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 3i9c n LYS 12 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i9c n ARG 13 N -0.06 3.02 -4.41 1.97 1.74 -0.17 -5.11 116.66 113.65 3i9c n ARG 13 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 3i9c n ARG 13 Cb 0.07 -0.63 -0.08 0.00 -1.02 0.00 0.00 32.46 30.80 3i9c n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i9c s VAL 14 N -0.95 0.28 0.01 1.55 1.01 -0.70 -4.47 120.40 117.13 3i9c s VAL 14 Ca 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 61.98 59.71 3i9c s VAL 14 Cb 0.00 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 34.05 3i9c s VAL 14 CO 0.00 0.00 0.62 -0.75 0.00 0.00 0.00 175.10 174.97 3i9c s LYS 15 N -3.57 1.08 -0.13 2.72 2.20 -0.68 -4.80 119.74 116.55 3i9c s LYS 15 Ca 0.31 0.03 -0.05 0.00 -0.36 0.00 0.00 55.97 55.90 3i9c s LYS 15 Cb 0.02 0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 36.81 3i9c s LYS 15 CO 0.21 -0.37 0.04 0.42 -0.36 0.00 0.00 175.35 175.29 3i9c s ILE 16 N -1.86 4.66 0.72 5.43 1.01 -1.26 -0.35 121.20 129.55 3i9c s ILE 16 Ca -0.08 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 3i9c s ILE 16 Cb -0.01 -3.03 0.03 0.00 0.01 0.00 0.00 42.46 39.47 3i9c s ILE 16 CO 0.04 0.56 1.09 0.42 0.00 0.00 0.00 174.94 177.05 3i9c s THR 17 N -0.43 3.07 0.18 2.92 -4.23 -0.13 -4.81 115.64 112.21 3i9c s THR 17 Ca 0.09 0.28 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 3i9c s THR 17 Cb -0.12 -3.33 0.08 0.00 1.34 0.00 0.00 72.50 70.47 3i9c s THR 17 CO 0.02 -0.42 1.84 0.00 -0.54 0.00 0.00 174.62 175.52 3i9c h ALA 18 N -0.70 0.73 0.04 3.99 0.00 -1.98 -2.84 119.26 118.49 3i9c h ALA 18 Ca -0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i9c h ALA 18 Cb 1.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i9c h ALA 18 CO 0.64 0.14 -0.02 0.66 0.00 0.00 0.00 179.25 180.67 3i9c h SER 19 N 0.75 -0.04 0.00 0.00 4.64 -2.05 -3.47 113.55 113.37 3i9c h SER 19 Ca 0.21 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3i9c h SER 19 Cb -0.06 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3i9c h SER 19 CO -0.06 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3i9c n GLY 20 N -0.53 0.96 3.12 -0.77 0.00 -1.07 -5.16 105.19 101.74 3i9c n GLY 20 Ca -0.08 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3i9c n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9c n LYS 21 N 0.00 -0.22 -4.83 1.61 5.02 -1.26 -4.37 118.16 114.12 3i9c n LYS 21 Ca 0.00 -0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 55.92 3i9c n LYS 21 Cb 0.00 -1.26 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 3i9c n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i9c s VAL 22 N -2.11 2.95 -0.05 -0.18 1.01 -1.26 -0.96 120.40 119.80 3i9c s VAL 22 Ca 0.45 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3i9c s VAL 22 Cb -0.12 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3i9c s VAL 22 CO 0.75 0.50 0.15 -0.69 0.00 0.00 0.00 175.10 175.81 3i9c s VAL 23 N -0.80 0.01 0.30 2.92 1.01 0.52 -3.77 120.40 120.60 3i9c s VAL 23 Ca 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 3i9c s VAL 23 Cb -0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 3i9c s VAL 23 CO 0.02 -0.06 0.39 0.00 0.00 0.00 0.00 175.10 175.46 3i9c s ALA 24 N -0.13 0.80 0.97 5.51 0.00 -1.25 -1.69 121.76 125.97 3i9c s ALA 24 Ca -0.02 -1.51 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 3i9c s ALA 24 Cb -0.02 1.22 0.17 0.00 0.00 0.00 0.00 23.12 24.49 3i9c s ALA 24 CO 0.00 -0.75 1.09 -1.64 0.00 0.00 0.00 175.76 174.46 3i9c s MET 25 N -3.46 0.65 0.54 0.00 -1.94 -1.26 -3.21 119.30 110.62 3i9c s MET 25 Ca 0.32 0.95 -0.06 0.00 -1.71 0.00 0.00 55.69 55.19 3i9c s MET 25 Cb 0.01 -1.73 -0.02 0.00 2.01 0.00 0.00 34.83 35.11 3i9c s MET 25 CO 0.18 -2.70 0.86 0.15 -0.01 0.00 0.00 175.02 173.50 3i9c s LYS 26 N -4.76 3.28 0.46 2.03 -0.14 -1.23 -4.87 119.74 114.50 3i9c s LYS 26 Ca 0.65 0.17 0.03 0.00 -1.36 0.00 0.00 55.97 55.46 3i9c s LYS 26 Cb -0.21 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.62 3i9c s LYS 26 CO 0.59 -0.46 0.03 0.95 -0.76 0.00 0.00 175.35 175.70 3i9c s THR 27 N -2.90 1.21 0.00 2.17 -4.23 -1.26 -4.71 115.64 105.91 3i9c s THR 27 Ca 0.51 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 3i9c s THR 27 Cb -0.10 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.35 3i9c s THR 27 CO 0.46 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 3i9c n GLY 28 N -1.11 3.03 0.00 3.99 0.00 -1.26 -4.88 105.19 104.96 3i9c n GLY 28 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i9c n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9c n LYS 29 N -1.28 0.00 0.00 1.61 4.81 -1.26 -4.49 118.16 117.55 3i9c n LYS 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i9c n LYS 29 Cb 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.01 3i9c n LYS 29 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3i9c n ARG 30 N -0.77 0.00 -2.87 1.64 3.00 -1.26 0.17 116.66 116.57 3i9c n ARG 30 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 3i9c n ARG 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i9c n ARG 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i9c n HIS 31 N 0.00 -3.11 0.00 -0.14 8.25 -1.26 -5.14 115.22 113.82 3i9c n HIS 31 Ca 0.00 -1.86 0.00 0.00 -0.26 0.00 0.00 57.72 55.60 3i9c n HIS 31 Cb 0.00 1.23 0.00 0.00 1.12 0.00 0.00 29.99 32.34 3i9c n HIS 31 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 3i9c n LEU 32 N 2.48 0.00 0.00 2.41 -0.00 0.46 -5.05 117.00 117.30 3i9c n LEU 32 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 3i9c n LEU 32 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3i9c n LEU 32 CO 0.02 0.00 -0.20 0.59 -0.00 0.00 0.00 177.39 177.80 3i9c n ASN 33 N 0.00 1.94 0.00 1.45 4.13 -1.26 -5.08 115.26 116.43 3i9c n ASN 33 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3i9c n ASN 33 Cb 0.00 0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 3i9c n ASN 33 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 3i9c n TRP 34 N -1.20 0.00 0.00 3.10 4.27 -1.26 -4.91 117.44 117.44 3i9c n TRP 34 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 3i9c n TRP 34 Cb 0.20 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.15 3i9c n TRP 34 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 3i9c n GLN 35 N 0.00 0.00 -2.67 -2.67 -0.06 -1.26 -4.69 117.38 106.03 3i9c n GLN 35 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.64 3i9c n GLN 35 Cb 0.00 -1.23 -0.05 0.00 -4.06 0.00 0.00 30.24 24.89 3i9c n GLN 35 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3i9c s LYS 36 N -1.83 4.26 0.05 3.69 -0.14 -1.26 -5.07 119.74 119.44 3i9c s LYS 36 Ca 0.00 1.37 0.03 0.00 -1.36 0.00 0.00 55.97 56.00 3i9c s LYS 36 Cb 0.00 -2.50 -0.04 0.00 -1.68 0.00 0.00 37.83 33.61 3i9c s LYS 36 CO 0.00 -0.03 0.04 -1.54 -0.76 0.00 0.00 175.35 173.06 3i9c s SER 37 N -1.74 5.33 0.00 2.83 1.04 -1.26 -5.03 113.70 114.87 3i9c s SER 37 Ca 0.57 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.98 3i9c s SER 37 Cb -0.18 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.54 3i9c s SER 37 CO 0.23 0.22 0.45 0.61 0.98 0.00 0.00 173.24 175.72 3i9c n GLY 38 N 0.83 -1.42 3.74 7.32 0.00 -1.26 -3.62 105.19 110.79 3i9c n GLY 38 Ca -0.11 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3i9c n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i9c s LYS 39 N -2.99 4.20 -0.22 1.61 2.20 -1.26 0.20 119.74 123.48 3i9c s LYS 39 Ca 0.00 2.42 -0.01 0.00 -0.36 0.00 0.00 55.97 58.02 3i9c s LYS 39 Cb 0.00 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 3i9c s LYS 39 CO 0.00 -0.53 0.19 0.39 -0.36 0.00 0.00 175.35 175.04 3i9c n GLU 40 N 2.55 -0.44 0.00 4.03 4.71 -1.24 -4.63 120.64 125.62 3i9c n GLU 40 Ca 0.08 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 3i9c n GLU 40 Cb 0.39 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.35 3i9c n GLU 40 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 3i9c n ILE 41 N -1.67 0.00 0.01 -3.67 0.00 -1.11 -3.98 119.36 108.94 3i9c n ILE 41 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 62.75 62.52 3i9c n ILE 41 Cb 0.52 0.00 -0.14 0.00 0.00 0.00 0.00 39.64 40.02 3i9c n ILE 41 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3i9c h ARG 42 N 0.00 0.26 -0.44 9.51 2.43 -0.49 -3.36 114.38 122.29 3i9c h ARG 42 Ca 0.00 -0.44 -0.12 0.00 -0.81 0.00 0.00 59.98 58.61 3i9c h ARG 42 Cb 0.00 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3i9c h ARG 42 CO 0.00 1.21 -0.19 1.96 -1.51 0.00 0.00 179.97 181.44 3i9c h GLN 43 N -0.13 0.90 0.00 0.20 4.20 -1.87 -2.73 115.11 115.68 3i9c h GLN 43 Ca -0.37 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 57.96 3i9c h GLN 43 Cb 1.90 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.65 3i9c h GLN 43 CO 0.07 1.03 0.00 1.63 -0.67 0.00 0.00 178.83 180.89 3i9c n LYS 44 N -4.20 0.18 -0.85 1.46 4.76 -1.26 -3.03 118.16 115.22 3i9c n LYS 44 Ca -0.01 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.50 3i9c n LYS 44 Cb 0.43 -1.50 0.38 0.00 -1.84 0.00 0.00 35.03 32.51 3i9c n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i9c n GLY 45 N -0.65 3.18 0.00 0.72 0.00 -1.03 -3.92 105.19 103.49 3i9c n GLY 45 Ca 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3i9c n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9c n ARG 46 N 0.43 2.87 -3.60 1.61 1.74 -1.17 -4.95 116.66 113.60 3i9c n ARG 46 Ca 0.28 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.22 3i9c n ARG 46 Cb 1.17 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.57 3i9c n ARG 46 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i9c n LYS 47 N 0.00 0.46 0.00 5.56 5.02 -1.26 -3.56 118.16 124.37 3i9c n LYS 47 Ca 0.00 -2.39 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 3i9c n LYS 47 Cb 0.00 2.15 0.00 0.00 -0.02 0.00 0.00 35.03 37.16 3i9c n LYS 47 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3i9c n PHE 48 N -0.48 0.00 0.00 2.13 -1.74 -1.20 -4.91 117.46 111.27 3i9c n PHE 48 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 3i9c n PHE 48 Cb 0.47 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.47 3i9c n PHE 48 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 3i9c n VAL 49 N 0.00 0.00 0.00 1.97 0.31 -1.25 -3.88 118.33 115.49 3i9c n VAL 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i9c n VAL 49 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i9c n VAL 49 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i9c n LEU 50 N 0.00 0.00 0.00 7.52 4.77 -1.26 -4.83 117.00 123.20 3i9c n LEU 50 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i9c n LEU 50 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i9c n LEU 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 3i9c n ALA 51 N -3.00 0.00 -0.01 -1.18 0.00 -1.26 -4.95 120.51 110.11 3i9c n ALA 51 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3i9c n ALA 51 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3i9c n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i9c h LYS 52 N 0.00 -0.03 -4.15 0.00 6.56 -2.06 -3.36 116.57 113.53 3i9c h LYS 52 Ca 0.00 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.94 3i9c h LYS 52 Cb 0.00 0.01 0.02 0.00 -0.57 0.00 0.00 32.23 31.68 3i9c h LYS 52 CO 0.00 0.51 2.69 -0.35 -2.06 0.00 0.00 179.45 180.23 3i9c n PRO 53 N -4.84 2.11 0.00 3.15 -0.04 -1.26 -3.94 135.00 130.18 3i9c n PRO 53 Ca -0.09 -2.08 0.10 0.00 -0.04 0.00 0.00 63.50 61.40 3i9c n PRO 53 Cb 0.28 -2.99 0.08 0.00 -0.04 0.00 0.00 33.50 30.83 3i9c n PRO 53 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i9c n GLU 54 N 6.28 1.79 -0.41 0.54 0.00 -1.26 -4.49 120.64 123.10 3i9c n GLU 54 Ca 0.51 -1.66 0.34 0.00 0.00 0.00 0.00 57.16 56.36 3i9c n GLU 54 Cb 0.37 -1.39 0.57 0.00 0.00 0.00 0.00 31.44 30.99 3i9c n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i9c n ALA 55 N 1.06 1.18 -0.37 -1.84 0.00 -1.25 0.14 120.51 119.42 3i9c n ALA 55 Ca 0.12 0.68 -0.02 0.00 0.00 0.00 0.00 53.44 54.21 3i9c n ALA 55 Cb 0.50 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 19.11 3i9c n ALA 55 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i9c h GLU 56 N 0.00 -0.02 -0.91 0.00 3.07 -1.95 0.42 114.58 115.19 3i9c h GLU 56 Ca 0.72 0.00 0.20 0.00 -0.50 0.00 0.00 59.36 59.79 3i9c h GLU 56 Cb 2.42 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 30.16 3i9c h GLU 56 CO -0.32 -0.01 -0.14 0.00 -1.40 0.00 0.00 179.01 177.14 3i9c h ARG 57 N -0.02 0.02 -0.04 2.33 3.08 0.77 2.02 114.38 122.54 3i9c h ARG 57 Ca 0.33 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.39 3i9c h ARG 57 Cb 0.59 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3i9c h ARG 57 CO -0.96 0.01 0.04 0.82 -1.07 0.00 0.00 179.97 178.81 3i9c h ILE 58 N 0.02 0.64 0.00 2.04 2.04 -0.32 0.13 117.51 122.07 3i9c h ILE 58 Ca 0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.34 3i9c h ILE 58 Cb 0.81 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3i9c h ILE 58 CO -0.90 0.00 -0.37 0.11 0.00 0.00 0.00 178.15 176.98 3i9c h LYS 59 N 0.00 0.00 0.17 2.37 1.57 0.35 -3.32 116.57 117.71 3i9c h LYS 59 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.46 3i9c h LYS 59 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.41 3i9c h LYS 59 CO -0.00 0.00 -1.66 -0.07 -0.57 0.00 0.00 179.45 177.15 3i9c h LEU 60 N 0.00 0.57 0.00 2.94 3.38 0.61 -3.41 115.31 119.40 3i9c h LEU 60 Ca 0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3i9c h LEU 60 Cb 0.90 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3i9c h LEU 60 CO 0.00 1.75 0.00 0.00 0.09 0.00 0.00 178.44 180.28 3i9c n LEU 61 N -3.68 0.00 -0.07 1.67 -0.00 -0.34 -3.34 117.00 111.23 3i9c n LEU 61 Ca -0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.73 3i9c n LEU 61 Cb 1.03 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.43 3i9c n LEU 61 CO 0.49 0.00 0.50 -0.07 -0.00 0.00 0.00 177.39 178.31 3i9c h LEU 62 N 0.00 -0.52 -1.92 1.47 3.38 -1.91 -1.28 115.31 114.52 3i9c h LEU 62 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i9c h LEU 62 Cb 0.00 0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i9c h LEU 62 CO 0.00 -0.08 0.35 -0.65 0.09 0.00 0.00 178.44 178.15 3i9c h PRO 63 N -0.05 0.00 0.00 1.13 0.11 -1.97 -3.47 132.00 127.76 3i9c h PRO 63 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3i9c h PRO 63 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3i9c h PRO 63 CO -0.20 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.25 3i9c n TYR 64 N -2.86 -1.37 0.00 0.65 4.01 -0.49 -5.19 117.16 111.91 3i9c n TYR 64 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3i9c n TYR 64 Cb 0.39 0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3i9c n TYR 64 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79