#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9h s ALA 3 N 0.00 -2.08 -0.18 7.82 0.00 -1.26 -4.94 121.76 121.12 3i9h s ALA 3 Ca 0.00 1.70 -0.14 0.00 0.00 0.00 0.00 51.96 53.53 3i9h s ALA 3 Cb 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 3i9h s ALA 3 CO 0.00 -0.48 0.28 0.08 0.00 0.00 0.00 175.76 175.64 3i9h s VAL 4 N -1.92 5.30 -0.17 0.00 1.01 -0.73 -4.36 120.40 119.54 3i9h s VAL 4 Ca 0.08 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 3i9h s VAL 4 Cb -0.01 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 3i9h s VAL 4 CO -0.05 0.37 -0.13 -0.89 0.00 0.00 0.00 175.10 174.41 3i9h s THR 5 N 0.63 2.86 -0.09 3.92 2.01 -0.86 -0.65 115.64 123.45 3i9h s THR 5 Ca 0.15 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 3i9h s THR 5 Cb -0.13 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 3i9h s THR 5 CO 0.04 0.50 0.13 -0.36 -0.69 0.00 0.00 174.62 174.23 3i9h s PHE 6 N 0.90 3.52 0.05 4.92 0.40 -0.11 -0.91 117.98 126.75 3i9h s PHE 6 Ca -0.03 0.44 0.08 0.00 -0.60 0.00 0.00 56.93 56.83 3i9h s PHE 6 Cb -0.15 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 3i9h s PHE 6 CO -0.01 0.68 -0.24 0.71 0.70 0.00 0.00 175.22 177.07 3i9h s TYR 7 N -1.07 2.06 0.06 0.36 1.51 0.14 -1.53 117.35 118.89 3i9h s TYR 7 Ca 0.17 -0.39 -0.33 0.00 -1.01 0.00 0.00 57.07 55.51 3i9h s TYR 7 Cb -0.12 -1.22 -0.19 0.00 -0.11 0.00 0.00 41.96 40.32 3i9h s TYR 7 CO 0.07 0.13 1.57 1.49 -1.11 0.00 0.00 175.55 177.69 3i9h h GLU 8 N 4.74 -0.92 -6.51 -0.62 4.81 -0.70 -1.66 114.58 113.73 3i9h h GLU 8 Ca -0.45 0.06 -0.43 0.00 -0.13 0.00 0.00 59.36 58.42 3i9h h GLU 8 Cb 1.15 0.21 0.02 0.00 0.63 0.00 0.00 28.75 30.77 3i9h h GLU 8 CO 0.43 -0.60 -0.22 -0.51 -0.73 0.00 0.00 179.01 177.38 3i9h s ASP 9 N -4.38 5.62 0.75 1.04 1.01 -0.38 -3.43 116.67 116.91 3i9h s ASP 9 Ca -0.18 -0.30 -0.14 0.00 0.71 0.00 0.00 52.55 52.64 3i9h s ASP 9 Cb 0.03 -0.78 0.05 0.00 1.01 0.00 0.00 42.92 43.23 3i9h s ASP 9 CO 0.60 -0.80 1.19 -0.51 0.21 0.00 0.00 175.17 175.86 3i9h s ILE 10 N -2.41 2.37 -1.65 0.77 2.07 -1.26 -2.86 121.20 118.22 3i9h s ILE 10 Ca 0.54 0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.93 3i9h s ILE 10 Cb -0.10 -2.66 0.00 0.00 0.13 0.00 0.00 42.46 39.83 3i9h s ILE 10 CO 0.34 -0.11 0.22 0.59 -1.91 0.00 0.00 174.94 174.07 3i9h n ASN 11 N -2.94 -5.85 -1.62 4.50 3.02 0.11 -2.68 115.26 109.81 3i9h n ASN 11 Ca 0.13 -0.11 -0.14 0.00 -0.03 0.00 0.00 54.58 54.42 3i9h n ASN 11 Cb 0.51 -4.80 -0.01 0.00 -0.61 0.00 0.00 39.78 34.87 3i9h n ASN 11 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3i9h n TYR 12 N -4.19 -0.68 -2.82 3.10 0.53 -1.21 -5.02 117.16 106.88 3i9h n TYR 12 Ca -0.19 0.01 -0.22 0.00 -1.02 0.00 0.00 57.90 56.48 3i9h n TYR 12 Cb 0.66 -3.02 0.09 0.00 -1.03 0.00 0.00 39.34 36.04 3i9h n TYR 12 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 3i9h s GLY 13 N -2.37 1.73 0.00 2.72 0.00 -1.09 -4.94 107.32 103.37 3i9h s GLY 13 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.72 3i9h s GLY 13 CO 0.00 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.26 3i9h n GLY 14 N -2.58 -0.10 3.80 0.20 0.00 -1.26 -1.25 105.19 104.00 3i9h n GLY 14 Ca 0.16 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 3i9h n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9h s ALA 15 N -1.51 2.77 0.03 4.61 0.00 -1.26 -4.73 121.76 121.67 3i9h s ALA 15 Ca 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.35 3i9h s ALA 15 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 3i9h s ALA 15 CO 0.00 -0.74 -0.03 -1.54 0.00 0.00 0.00 175.76 173.45 3i9h s SER 16 N -2.76 0.33 -0.04 0.00 1.04 -1.26 -0.44 113.70 110.57 3i9h s SER 16 Ca 0.63 -0.68 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 3i9h s SER 16 Cb -0.16 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.13 3i9h s SER 16 CO 0.36 -0.41 0.09 -0.69 0.98 0.00 0.00 173.24 173.56 3i9h s VAL 17 N -2.38 -0.05 -0.09 5.02 1.01 -0.58 -4.98 120.40 118.35 3i9h s VAL 17 Ca -0.07 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3i9h s VAL 17 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 3i9h s VAL 17 CO -0.04 0.07 0.13 -0.44 0.00 0.00 0.00 175.10 174.81 3i9h s SER 18 N 0.99 6.18 0.05 3.32 0.01 -1.26 -0.94 113.70 122.06 3i9h s SER 18 Ca -0.08 0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.58 3i9h s SER 18 Cb -0.11 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 3i9h s SER 18 CO -0.04 0.37 -0.08 -0.76 0.41 0.00 0.00 173.24 173.14 3i9h s LEU 19 N -1.24 2.31 0.62 2.44 1.43 0.17 -4.98 118.68 119.43 3i9h s LEU 19 Ca 0.18 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3i9h s LEU 19 Cb -0.12 -0.17 0.08 0.00 0.03 0.00 0.00 46.19 46.01 3i9h s LEU 19 CO 0.07 -0.25 0.86 -1.10 0.23 0.00 0.00 176.35 176.16 3i9h s GLN 20 N -2.02 2.17 0.58 1.70 -1.52 -1.26 -1.77 119.66 117.54 3i9h s GLN 20 Ca -0.05 -1.05 -0.19 0.00 -1.95 0.00 0.00 55.36 52.11 3i9h s GLN 20 Cb -0.07 -2.46 -0.05 0.00 -0.22 0.00 0.00 33.01 30.21 3i9h s GLN 20 CO -0.00 -1.01 1.04 -2.30 -0.25 0.00 0.00 175.29 172.76 3i9h n PRO 21 N -2.51 1.05 0.00 2.91 -0.02 -1.26 -4.82 135.00 130.35 3i9h n PRO 21 Ca 0.12 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3i9h n PRO 21 Cb 0.60 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3i9h n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9h n GLY 22 N 1.19 0.92 3.20 -1.23 0.00 -0.05 -4.94 105.19 104.27 3i9h n GLY 22 Ca 0.13 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 3i9h n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i9h s ASN 23 N 0.00 4.75 -0.19 1.61 0.01 -1.26 -0.30 114.94 119.55 3i9h s ASN 23 Ca 0.00 -1.11 -0.03 0.00 -0.71 0.00 0.00 52.86 51.01 3i9h s ASN 23 Cb 0.00 -1.71 -0.01 0.00 0.41 0.00 0.00 41.25 39.93 3i9h s ASN 23 CO 0.00 -0.22 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.01 3i9h s TYR 24 N 1.30 2.95 0.66 2.20 1.51 0.44 -5.00 117.35 121.40 3i9h s TYR 24 Ca -0.03 -0.72 -0.07 0.00 -1.01 0.00 0.00 57.07 55.24 3i9h s TYR 24 Cb -0.19 -2.03 0.03 0.00 -0.11 0.00 0.00 41.96 39.67 3i9h s TYR 24 CO -0.02 -0.36 0.98 0.95 -1.11 0.00 0.00 175.55 176.00 3i9h s THR 25 N 1.01 3.13 0.23 -0.71 -4.23 -1.26 -1.19 115.64 112.62 3i9h s THR 25 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 3i9h s THR 25 Cb -0.15 -3.30 0.19 0.00 1.34 0.00 0.00 72.50 70.58 3i9h s THR 25 CO 0.00 -0.33 1.74 0.25 -0.54 0.00 0.00 174.62 175.75 3i9h h LEU 26 N -0.43 0.30 -0.85 4.79 7.12 -1.83 0.44 115.31 124.85 3i9h h LEU 26 Ca -0.45 0.09 0.04 0.00 0.13 0.00 0.00 57.88 57.69 3i9h h LEU 26 Cb 1.28 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 41.41 3i9h h LEU 26 CO 0.61 0.15 0.54 -1.28 -0.13 0.00 0.00 178.44 178.33 3i9h h SER 27 N 0.47 0.88 0.52 1.25 0.87 -1.94 -0.20 113.55 115.41 3i9h h SER 27 Ca 0.37 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.77 3i9h h SER 27 Cb 0.49 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3i9h h SER 27 CO -0.34 0.60 -0.69 1.56 -0.53 0.00 0.00 176.83 177.42 3i9h h GLN 28 N 1.03 0.14 -0.22 2.24 4.20 -1.56 -2.27 115.11 118.67 3i9h h GLN 28 Ca 0.35 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 3i9h h GLN 28 Cb 0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3i9h h GLN 28 CO -0.13 0.78 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.60 3i9h h LEU 29 N 0.10 0.50 -1.01 1.46 3.38 -0.37 -2.33 115.31 117.05 3i9h h LEU 29 Ca -0.01 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.59 3i9h h LEU 29 Cb 1.23 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 3i9h h LEU 29 CO 0.10 0.83 0.65 0.78 0.09 0.00 0.00 178.44 180.89 3i9h h ASN 30 N 0.18 1.05 -0.27 -0.43 2.35 -0.82 0.58 115.58 118.22 3i9h h ASN 30 Ca 0.05 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3i9h h ASN 30 Cb 0.65 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3i9h h ASN 30 CO 0.04 0.67 0.09 0.74 -1.65 0.00 0.00 177.43 177.32 3i9h h THR 31 N 1.19 1.15 -0.14 2.81 2.02 -1.22 -0.20 112.91 118.52 3i9h h THR 31 Ca 0.43 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3i9h h THR 31 Cb 0.16 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3i9h h THR 31 CO -0.17 0.19 0.00 0.00 0.37 0.00 0.00 175.52 175.91 3i9h n ALA 32 N -2.48 2.50 -1.10 6.16 0.00 -0.01 -4.88 120.51 120.69 3i9h n ALA 32 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 3i9h n ALA 32 Cb 0.17 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 3i9h n ALA 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i9h n LYS 33 N -0.08 -0.17 -3.57 0.00 5.02 -0.09 -4.95 118.16 114.33 3i9h n LYS 33 Ca 0.08 0.57 -0.40 0.00 -2.02 0.00 0.00 58.31 56.54 3i9h n LYS 33 Cb 0.15 -4.18 -0.11 0.00 -0.02 0.00 0.00 35.03 30.88 3i9h n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i9h s ILE 34 N -2.09 4.92 0.71 -0.18 1.01 -0.01 -4.97 121.20 120.58 3i9h s ILE 34 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 3i9h s ILE 34 Cb 0.00 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.87 3i9h s ILE 34 CO 0.00 -0.10 1.07 -2.84 0.00 0.00 0.00 174.94 173.07 3i9h s PRO 35 N 1.64 2.76 0.48 2.79 0.02 -1.26 -2.67 135.00 138.77 3i9h s PRO 35 Ca 0.04 1.07 -0.22 0.00 0.02 0.00 0.00 61.00 61.92 3i9h s PRO 35 Cb -0.18 -1.96 -0.07 0.00 0.02 0.00 0.00 34.50 32.30 3i9h s PRO 35 CO 0.08 -1.24 1.12 1.21 -0.33 0.00 0.00 177.00 177.84 3i9h s ASN 36 N -3.51 6.12 -1.01 2.53 2.47 -1.26 -3.70 114.94 116.58 3i9h s ASN 36 Ca 0.60 2.18 -0.16 0.00 0.42 0.00 0.00 52.86 55.90 3i9h s ASN 36 Cb -0.15 -2.59 0.01 0.00 -1.45 0.00 0.00 41.25 37.07 3i9h s ASN 36 CO 0.53 -0.94 0.68 0.47 -3.72 0.00 0.00 177.10 174.12 3i9h n ASP 37 N -0.76 -5.01 0.00 -4.21 8.00 -0.98 -4.88 116.55 108.71 3i9h n ASP 37 Ca 0.09 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.58 3i9h n ASP 37 Cb 0.50 -2.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.22 3i9h n ASP 37 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3i9h n TRP 38 N -3.67 0.00 -2.06 1.24 -0.00 -1.24 -4.68 117.44 107.02 3i9h n TRP 38 Ca -0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 56.91 3i9h n TRP 38 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.89 3i9h n TRP 38 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 3i9h s MET 39 N -1.18 4.27 0.00 5.87 1.75 -1.26 -4.57 119.30 124.18 3i9h s MET 39 Ca 0.00 2.21 0.00 0.00 -1.25 0.00 0.00 55.69 56.65 3i9h s MET 39 Cb 0.00 -3.20 0.00 0.00 2.84 0.00 0.00 34.83 34.47 3i9h s MET 39 CO 0.00 -0.51 0.00 2.41 -0.65 0.00 0.00 175.02 176.27 3i9h n THR 40 N 3.90 0.00 -3.88 10.11 -1.04 -0.63 -2.02 114.28 120.72 3i9h n THR 40 Ca 0.12 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.04 3i9h n THR 40 Cb 0.40 -0.86 -0.08 0.00 -1.82 0.00 0.00 70.33 67.98 3i9h n THR 40 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3i9h s SER 41 N -3.09 0.15 0.09 8.00 1.04 -1.16 -1.45 113.70 117.28 3i9h s SER 41 Ca 0.00 -0.63 -0.22 0.00 0.48 0.00 0.00 55.95 55.58 3i9h s SER 41 Cb 0.00 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.48 3i9h s SER 41 CO 0.00 -0.67 0.52 -1.48 0.98 0.00 0.00 173.24 172.59 3i9h s LEU 42 N -2.70 -0.13 -0.15 2.42 2.34 -0.77 0.27 118.68 119.96 3i9h s LEU 42 Ca 0.03 0.05 -0.00 0.00 0.06 0.00 0.00 54.13 54.27 3i9h s LEU 42 Cb 0.04 2.21 -0.01 0.00 -0.56 0.00 0.00 46.19 47.87 3i9h s LEU 42 CO -0.09 -0.81 -0.14 -0.54 -1.06 0.00 0.00 176.35 173.71 3i9h s LYS 43 N -3.03 3.31 -0.10 1.48 1.02 -0.09 -0.44 119.74 121.89 3i9h s LYS 43 Ca -0.02 -0.71 0.04 0.00 0.02 0.00 0.00 55.97 55.29 3i9h s LYS 43 Cb -0.00 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3i9h s LYS 43 CO -0.06 0.10 -0.24 0.08 -0.92 0.00 0.00 175.35 174.31 3i9h s VAL 44 N 0.63 2.06 0.28 3.17 1.01 -1.26 -2.03 120.40 124.26 3i9h s VAL 44 Ca -0.07 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 3i9h s VAL 44 Cb -0.16 -1.78 -0.11 0.00 0.00 0.00 0.00 36.38 34.33 3i9h s VAL 44 CO 0.03 0.56 1.60 -2.84 0.00 0.00 0.00 175.10 174.45 3i9h s PRO 45 N 0.40 4.13 -0.06 2.72 0.02 -1.26 -4.00 135.00 136.94 3i9h s PRO 45 Ca -0.18 2.57 -0.33 0.00 0.02 0.00 0.00 61.00 63.08 3i9h s PRO 45 Cb -0.18 -3.03 -0.11 0.00 0.02 0.00 0.00 34.50 31.20 3i9h s PRO 45 CO 0.08 -0.64 1.90 0.45 -0.33 0.00 0.00 177.00 178.46 3i9h n SER 46 N 2.40 3.61 0.00 2.53 2.88 -1.26 -0.65 113.62 123.13 3i9h n SER 46 Ca 0.09 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 3i9h n SER 46 Cb 0.37 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3i9h n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i9h n GLY 47 N 4.43 0.50 3.85 0.46 0.00 -1.26 -5.09 105.19 108.08 3i9h n GLY 47 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 3i9h n GLY 47 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i9h s TRP 48 N -2.00 3.21 -0.03 1.61 0.52 0.18 -3.30 118.94 119.13 3i9h s TRP 48 Ca 0.00 -0.05 0.05 0.00 0.02 0.00 0.00 56.10 56.12 3i9h s TRP 48 Cb 0.00 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 3i9h s TRP 48 CO 0.00 0.51 -0.19 0.99 0.02 0.00 0.00 176.95 178.28 3i9h s THR 49 N -1.96 1.51 -0.16 2.01 2.01 0.77 -4.53 115.64 115.29 3i9h s THR 49 Ca 0.33 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 3i9h s THR 49 Cb -0.09 -1.28 0.04 0.00 0.01 0.00 0.00 72.50 71.18 3i9h s THR 49 CO 0.25 0.43 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.86 3i9h s VAL 50 N -0.19 1.19 -0.41 3.82 1.01 -0.54 0.15 120.40 125.42 3i9h s VAL 50 Ca 0.01 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3i9h s VAL 50 Cb -0.10 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 35.03 3i9h s VAL 50 CO 0.01 0.19 0.26 -1.81 0.00 0.00 0.00 175.10 173.75 3i9h s ASP 51 N 1.61 5.78 -0.20 3.32 1.01 0.17 -0.87 116.67 127.50 3i9h s ASP 51 Ca 0.01 -1.24 -0.18 0.00 0.71 0.00 0.00 52.55 51.85 3i9h s ASP 51 Cb -0.15 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 3i9h s ASP 51 CO -0.08 -0.49 0.50 -0.69 0.21 0.00 0.00 175.17 174.62 3i9h s VAL 52 N 1.52 5.12 -0.09 -1.27 1.01 0.64 -1.46 120.40 125.88 3i9h s VAL 52 Ca 0.03 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 62.91 3i9h s VAL 52 Cb -0.21 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3i9h s VAL 52 CO 0.05 0.19 -0.00 -0.31 0.00 0.00 0.00 175.10 175.03 3i9h s TYR 53 N 1.54 3.14 0.28 5.22 1.51 -0.50 -0.37 117.35 128.17 3i9h s TYR 53 Ca 0.23 0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.52 3i9h s TYR 53 Cb -0.15 -1.79 0.40 0.00 -0.11 0.00 0.00 41.96 40.30 3i9h s TYR 53 CO 0.09 0.44 1.66 1.05 -1.11 0.00 0.00 175.55 177.68 3i9h h GLU 54 N 5.23 0.22 -5.93 -0.62 4.11 -1.03 -1.56 114.58 114.99 3i9h h GLU 54 Ca -0.50 -0.12 -0.56 0.00 0.07 0.00 0.00 59.36 58.25 3i9h h GLU 54 Cb 1.19 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 3i9h h GLU 54 CO 0.55 0.65 -0.38 -0.80 0.07 0.00 0.00 179.01 179.10 3i9h s ASN 55 N -6.88 4.63 0.80 3.06 0.01 -0.84 -3.94 114.94 111.79 3i9h s ASN 55 Ca -0.04 -1.11 -0.11 0.00 -0.71 0.00 0.00 52.86 50.88 3i9h s ASN 55 Cb 0.13 -0.04 0.07 0.00 0.41 0.00 0.00 41.25 41.82 3i9h s ASN 55 CO 0.78 -0.84 1.09 -0.62 -1.51 0.00 0.00 177.10 176.00 3i9h s ASP 56 N -4.12 4.36 -1.47 -1.22 -1.08 -1.26 -3.69 116.67 108.19 3i9h s ASP 56 Ca 0.37 1.58 -0.11 0.00 -0.52 0.00 0.00 52.55 53.87 3i9h s ASP 56 Cb -0.00 -2.31 0.05 0.00 -1.46 0.00 0.00 42.92 39.19 3i9h s ASP 56 CO 0.22 -2.09 1.00 0.59 0.52 0.00 0.00 175.17 175.41 3i9h n ASN 57 N -3.54 -5.44 -3.71 -0.34 3.02 -1.26 -2.96 115.26 101.03 3i9h n ASN 57 Ca 0.08 -0.64 -0.23 0.00 -0.03 0.00 0.00 54.58 53.76 3i9h n ASN 57 Cb 0.54 -4.33 0.04 0.00 -0.61 0.00 0.00 39.78 35.43 3i9h n ASN 57 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3i9h n PHE 58 N -4.75 -2.07 -4.57 3.10 3.01 -1.26 -5.00 117.46 105.92 3i9h n PHE 58 Ca 0.02 0.87 -0.27 0.00 1.01 0.00 0.00 57.45 59.08 3i9h n PHE 58 Cb 0.54 -4.43 -0.08 0.00 -0.01 0.00 0.00 39.48 35.50 3i9h n PHE 58 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3i9h s THR 59 N -3.55 0.83 0.00 4.37 -4.23 -1.16 -5.05 115.64 106.86 3i9h s THR 59 Ca 0.16 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3i9h s THR 59 Cb -0.08 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3i9h s THR 59 CO 0.80 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 3i9h n GLY 60 N -0.97 -1.82 3.77 3.99 0.00 -1.26 -1.98 105.19 106.92 3i9h n GLY 60 Ca -0.09 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 3i9h n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i9h s THR 61 N 0.00 2.88 -0.14 2.61 2.01 -1.26 -4.72 115.64 117.02 3i9h s THR 61 Ca 0.00 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.81 3i9h s THR 61 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.04 3i9h s THR 61 CO 0.00 0.12 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.11 3i9h s LYS 62 N -2.14 3.11 -0.14 4.92 2.20 -1.26 -0.77 119.74 125.66 3i9h s LYS 62 Ca 0.55 -0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 55.34 3i9h s LYS 62 Cb -0.35 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 3i9h s LYS 62 CO 0.45 0.01 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.77 3i9h s TRP 63 N 0.78 2.85 -0.15 4.03 0.51 0.50 -4.94 118.94 122.51 3i9h s TRP 63 Ca -0.07 -0.61 -0.04 0.00 -2.12 0.00 0.00 56.10 53.26 3i9h s TRP 63 Cb -0.16 -1.87 -0.03 0.00 -0.81 0.00 0.00 33.47 30.60 3i9h s TRP 63 CO -0.00 -0.20 -0.01 0.99 -0.51 0.00 0.00 176.95 177.22 3i9h s THR 64 N 0.41 4.14 -0.04 2.01 2.01 -1.26 -0.26 115.64 122.64 3i9h s THR 64 Ca -0.09 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.70 3i9h s THR 64 Cb -0.16 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 3i9h s THR 64 CO 0.05 0.50 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.94 3i9h s TYR 65 N 0.22 2.18 0.00 4.92 1.51 -0.05 -4.99 117.35 121.13 3i9h s TYR 65 Ca -0.01 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 3i9h s TYR 65 Cb -0.13 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 3i9h s TYR 65 CO 0.02 -0.16 0.64 0.25 -1.11 0.00 0.00 175.55 175.19 3i9h n THR 66 N 2.88 0.40 -3.73 -0.71 -2.24 -1.26 -1.47 114.28 108.15 3i9h n THR 66 Ca -0.17 -0.55 -0.08 0.00 -2.27 0.00 0.00 64.05 60.98 3i9h n THR 66 Cb 0.52 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 3i9h n THR 66 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i9h s SER 67 N -0.40 -0.34 0.15 3.42 1.04 -1.26 -4.47 113.70 111.83 3i9h s SER 67 Ca 0.00 -0.43 -0.34 0.00 0.48 0.00 0.00 55.95 55.67 3i9h s SER 67 Cb 0.00 0.68 -0.16 0.00 0.10 0.00 0.00 66.02 66.64 3i9h s SER 67 CO 0.00 -1.22 1.13 0.47 0.98 0.00 0.00 173.24 174.60 3i9h n ASP 68 N -0.44 1.07 -3.71 7.02 9.92 -1.26 -4.36 116.55 124.80 3i9h n ASP 68 Ca -0.08 1.14 -0.30 0.00 -0.53 0.00 0.00 54.79 55.03 3i9h n ASP 68 Cb 0.61 -1.17 -0.15 0.00 -0.64 0.00 0.00 41.12 39.77 3i9h n ASP 68 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3i9h s THR 69 N -0.17 0.85 -0.78 -3.53 2.01 0.42 -4.93 115.64 109.51 3i9h s THR 69 Ca 0.75 -1.52 0.13 0.00 0.31 0.00 0.00 61.69 61.36 3i9h s THR 69 Cb -0.91 -1.64 0.13 0.00 0.01 0.00 0.00 72.50 70.09 3i9h s THR 69 CO 0.52 -0.72 1.41 -0.81 -0.69 0.00 0.00 174.62 174.34 3i9h n PRO 70 N 4.67 0.06 -3.19 4.92 -0.04 -1.26 -1.85 135.00 138.30 3i9h n PRO 70 Ca -0.00 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.90 3i9h n PRO 70 Cb 0.41 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.21 3i9h n PRO 70 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3i9h s TRP 71 N -3.14 -1.44 -1.63 0.54 -0.00 -1.26 0.09 118.94 112.11 3i9h s TRP 71 Ca 0.03 1.60 0.13 0.00 -0.00 0.00 0.00 56.10 57.87 3i9h s TRP 71 Cb 0.06 0.53 0.71 0.00 -0.00 0.00 0.00 33.47 34.77 3i9h s TRP 71 CO 0.21 -0.78 1.30 1.33 -0.00 0.00 0.00 176.95 179.00 3i9h n VAL 72 N 5.43 0.43 0.00 5.86 0.24 -0.53 -4.98 118.33 124.78 3i9h n VAL 72 Ca -0.03 0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 3i9h n VAL 72 Cb 0.51 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 3i9h n VAL 72 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9h n GLY 73 N -0.18 -0.49 0.27 7.63 0.00 -1.26 -4.21 105.19 106.96 3i9h n GLY 73 Ca 0.08 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.56 3i9h n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i9h h ASN 74 N 0.00 0.00 -0.12 1.61 -0.26 -1.96 -2.00 115.58 112.84 3i9h h ASN 74 Ca 0.00 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.51 3i9h h ASN 74 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.27 3i9h h ASN 74 CO 0.00 0.09 -0.82 0.44 -1.06 0.00 0.00 177.43 176.07 3i9h h ASP 75 N 0.00 0.93 -0.01 5.81 5.19 -2.02 -3.35 116.42 122.97 3i9h h ASP 75 Ca -0.00 -0.65 0.00 0.00 -0.62 0.00 0.00 57.03 55.76 3i9h h ASP 75 Cb 0.29 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3i9h h ASP 75 CO 0.01 1.44 -0.43 0.00 -3.12 0.00 0.00 179.24 177.15 3i9h n ALA 76 N -2.61 3.40 -1.70 3.45 0.00 -1.18 -4.95 120.51 116.90 3i9h n ALA 76 Ca -0.08 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.37 3i9h n ALA 76 Cb 0.77 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 3i9h n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i9h n ASN 77 N -0.28 3.74 -3.78 0.00 5.15 -0.76 -2.49 115.26 116.85 3i9h n ASN 77 Ca 0.07 1.07 -0.24 0.00 -0.60 0.00 0.00 54.58 54.87 3i9h n ASN 77 Cb 0.36 -1.53 0.03 0.00 -0.53 0.00 0.00 39.78 38.10 3i9h n ASN 77 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3i9h n ASP 78 N 3.84 -2.48 0.00 1.20 9.92 -0.85 -4.88 116.55 123.29 3i9h n ASP 78 Ca 0.16 -0.80 0.00 0.00 -0.53 0.00 0.00 54.79 53.62 3i9h n ASP 78 Cb 0.33 -4.00 0.00 0.00 -0.64 0.00 0.00 41.12 36.81 3i9h n ASP 78 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3i9h n LYS 79 N -4.43 2.51 -1.67 -1.24 4.76 -1.04 -4.44 118.16 112.60 3i9h n LYS 79 Ca -0.18 0.00 -0.48 0.00 -2.87 0.00 0.00 58.31 54.79 3i9h n LYS 79 Cb 0.62 -0.79 -0.05 0.00 -1.84 0.00 0.00 35.03 32.98 3i9h n LYS 79 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 3i9h n MET 80 N -0.87 2.13 0.00 1.97 1.56 -1.26 -4.36 117.12 116.29 3i9h n MET 80 Ca 0.00 0.78 0.00 0.00 -0.27 0.00 0.00 57.70 58.21 3i9h n MET 80 Cb 0.00 -2.58 0.00 0.00 2.15 0.00 0.00 33.22 32.79 3i9h n MET 80 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 3i9h n THR 81 N 4.36 0.00 -3.72 1.12 -1.04 -0.59 -2.32 114.28 112.09 3i9h n THR 81 Ca 0.20 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.10 3i9h n THR 81 Cb 0.29 -0.23 -0.06 0.00 -1.82 0.00 0.00 70.33 68.51 3i9h n THR 81 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3i9h s SER 82 N -2.15 -0.14 -0.12 8.00 1.04 -1.20 -2.21 113.70 116.93 3i9h s SER 82 Ca 0.00 -0.28 -0.23 0.00 0.48 0.00 0.00 55.95 55.92 3i9h s SER 82 Cb 0.00 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.57 3i9h s SER 82 CO 0.00 -0.72 0.55 0.54 0.98 0.00 0.00 173.24 174.59 3i9h s VAL 83 N -3.17 0.01 -0.13 5.02 0.11 -0.33 -1.41 120.40 120.50 3i9h s VAL 83 Ca -0.01 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 58.96 3i9h s VAL 83 Cb 0.01 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 3i9h s VAL 83 CO -0.07 -0.06 -0.19 -0.54 -3.33 0.00 0.00 175.10 170.91 3i9h s LYS 84 N -0.56 3.14 -0.16 1.54 1.02 -0.53 -0.42 119.74 123.77 3i9h s LYS 84 Ca -0.07 -0.81 -0.00 0.00 0.02 0.00 0.00 55.97 55.11 3i9h s LYS 84 Cb -0.03 -2.48 -0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3i9h s LYS 84 CO 0.05 0.08 -0.14 0.42 -0.92 0.00 0.00 175.35 174.84 3i9h s ILE 85 N 0.61 2.80 0.01 2.17 1.01 0.59 -0.65 121.20 127.73 3i9h s ILE 85 Ca -0.11 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 59.90 3i9h s ILE 85 Cb -0.16 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3i9h s ILE 85 CO 0.03 0.51 -0.25 -0.31 0.00 0.00 0.00 174.94 174.92 3i9h s TYR 86 N 0.81 2.37 -0.38 3.97 1.51 0.12 -0.87 117.35 124.88 3i9h s TYR 86 Ca -0.05 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.68 3i9h s TYR 86 Cb -0.15 -1.47 0.58 0.00 -0.11 0.00 0.00 41.96 40.81 3i9h s TYR 86 CO 0.00 0.06 1.62 -1.13 -1.11 0.00 0.00 175.55 174.99 3i9h n SER 87 N 2.12 4.09 0.00 2.29 3.41 -1.26 -0.16 113.62 124.11 3i9h n SER 87 Ca -0.16 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.42 3i9h n SER 87 Cb 0.51 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3i9h n SER 87 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23