#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 0.29 -0.03 0.58 0.00 -1.26 -4.97 121.76 116.36 3i9h s ALA 3 Ca 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 50.64 3i9h s ALA 3 Cb 0.00 1.17 -0.05 0.00 0.00 0.00 0.00 23.12 24.24 3i9h s ALA 3 CO 0.00 -0.77 0.34 0.08 0.00 0.00 0.00 175.76 175.40 3i9h s VAL 4 N -3.93 5.16 -0.11 0.00 1.01 -1.03 -4.43 120.40 117.06 3i9h s VAL 4 Ca 0.28 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.95 3i9h s VAL 4 Cb 0.02 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3i9h s VAL 4 CO 0.11 0.59 -0.15 -0.89 0.00 0.00 0.00 175.10 174.76 3i9h s THR 5 N -1.07 1.47 -0.14 3.92 2.01 -1.06 -1.00 115.64 119.78 3i9h s THR 5 Ca 0.21 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 3i9h s THR 5 Cb -0.15 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 3i9h s THR 5 CO 0.11 0.44 0.21 -0.36 -0.69 0.00 0.00 174.62 174.32 3i9h s PHE 6 N 0.96 3.52 0.02 4.92 0.40 -0.62 -1.32 117.98 125.86 3i9h s PHE 6 Ca -0.07 0.53 0.06 0.00 -0.60 0.00 0.00 56.93 56.85 3i9h s PHE 6 Cb -0.15 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 3i9h s PHE 6 CO -0.01 0.45 -0.15 0.71 0.70 0.00 0.00 175.22 176.92 3i9h s TYR 7 N -0.19 2.65 0.05 0.36 1.51 0.73 -2.15 117.35 120.30 3i9h s TYR 7 Ca 0.14 -0.20 -0.32 0.00 -1.01 0.00 0.00 57.07 55.68 3i9h s TYR 7 Cb -0.12 -1.51 -0.18 0.00 -0.11 0.00 0.00 41.96 40.03 3i9h s TYR 7 CO 0.03 0.27 1.45 1.49 -1.11 0.00 0.00 175.55 177.68 3i9h h GLU 8 N 4.61 -0.98 -6.38 -0.62 4.81 -0.76 -1.76 114.58 113.50 3i9h h GLU 8 Ca -0.48 0.07 -0.46 0.00 -0.13 0.00 0.00 59.36 58.36 3i9h h GLU 8 Cb 1.16 0.22 0.01 0.00 0.63 0.00 0.00 28.75 30.76 3i9h h GLU 8 CO 0.49 -0.64 -0.26 -0.51 -0.73 0.00 0.00 179.01 177.37 3i9h s ASP 9 N -4.35 5.34 0.85 1.04 1.01 0.46 -3.23 116.67 117.79 3i9h s ASP 9 Ca -0.17 -0.63 -0.12 0.00 0.71 0.00 0.00 52.55 52.33 3i9h s ASP 9 Cb 0.02 -0.39 0.11 0.00 1.01 0.00 0.00 42.92 43.67 3i9h s ASP 9 CO 0.56 -0.87 1.18 0.00 0.21 0.00 0.00 175.17 176.25 3i9h n ILE 10 N -1.85 1.32 -3.83 0.77 3.06 -1.26 -2.58 119.36 114.99 3i9h n ILE 10 Ca 0.08 -0.14 -0.27 0.00 -2.50 0.00 0.00 62.75 59.92 3i9h n ILE 10 Cb 0.60 -1.13 0.03 0.00 0.54 0.00 0.00 39.64 39.69 3i9h n ILE 10 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3i9h n ASN 11 N -3.60 -4.12 -3.25 9.51 3.02 0.75 -2.36 115.26 115.21 3i9h n ASN 11 Ca 0.13 -0.76 -0.23 0.00 -0.03 0.00 0.00 54.58 53.68 3i9h n ASN 11 Cb 0.51 -4.05 0.03 0.00 -0.61 0.00 0.00 39.78 35.66 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 -4.62 -2.02 -3.07 3.10 0.53 -1.22 -4.99 117.16 104.87 3i9h n TYR 12 Ca -0.04 0.58 -0.19 0.00 -1.02 0.00 0.00 57.90 57.23 3i9h n TYR 12 Cb 0.56 -4.03 0.04 0.00 -1.03 0.00 0.00 39.34 34.88 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 -2.81 1.85 0.00 2.72 0.00 -1.00 -4.94 107.32 103.14 3i9h s GLY 13 Ca 0.39 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.18 3i9h s GLY 13 CO 0.48 -1.62 0.00 0.61 0.00 0.00 0.00 173.10 172.57 3i9h n GLY 14 N -2.06 -1.10 3.78 0.20 0.00 -1.26 -0.41 105.19 104.34 3i9h n GLY 14 Ca 0.12 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.28 2.42 0.07 4.61 0.00 -1.26 -4.67 121.76 121.65 3i9h s ALA 15 Ca 0.00 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 3i9h s ALA 15 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3i9h s ALA 15 CO 0.00 -1.44 0.09 -1.54 0.00 0.00 0.00 175.76 172.87 3i9h s SER 16 N -3.03 0.29 -0.14 0.00 1.04 -1.26 -0.72 113.70 109.87 3i9h s SER 16 Ca 0.64 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 56.19 3i9h s SER 16 Cb -0.18 0.27 0.06 0.00 0.10 0.00 0.00 66.02 66.27 3i9h s SER 16 CO 0.48 -0.67 0.34 -0.69 0.98 0.00 0.00 173.24 173.69 3i9h s VAL 17 N -3.85 -0.06 -0.04 5.02 1.01 -0.92 -5.00 120.40 116.55 3i9h s VAL 17 Ca 0.06 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 3i9h s VAL 17 Cb 0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3i9h s VAL 17 CO -0.10 0.05 0.23 -0.44 0.00 0.00 0.00 175.10 174.83 3i9h s SER 18 N 1.42 6.48 0.03 3.32 0.01 -1.26 -1.59 113.70 122.11 3i9h s SER 18 Ca -0.09 0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.74 3i9h s SER 18 Cb -0.09 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 3i9h s SER 18 CO -0.11 0.32 -0.08 -0.76 0.41 0.00 0.00 173.24 173.03 3i9h s LEU 19 N -1.43 2.19 0.74 2.44 1.43 -0.17 -5.00 118.68 118.88 3i9h s LEU 19 Ca 0.22 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3i9h s LEU 19 Cb -0.13 -0.22 0.11 0.00 0.03 0.00 0.00 46.19 45.98 3i9h s LEU 19 CO 0.12 -0.12 1.04 -1.10 0.23 0.00 0.00 176.35 176.52 3i9h s GLN 20 N -1.18 1.70 0.44 1.70 -1.52 -1.26 -2.48 119.66 117.06 3i9h s GLN 20 Ca -0.06 -0.72 -0.24 0.00 -1.95 0.00 0.00 55.36 52.39 3i9h s GLN 20 Cb -0.08 -2.21 -0.10 0.00 -0.22 0.00 0.00 33.01 30.40 3i9h s GLN 20 CO 0.00 -1.50 1.09 -2.30 -0.25 0.00 0.00 175.29 172.33 3i9h n PRO 21 N -2.98 1.49 0.00 2.91 -0.02 -1.26 -4.84 135.00 130.29 3i9h n PRO 21 Ca 0.12 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3i9h n PRO 21 Cb 0.60 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.08 0.69 3.12 -1.23 0.00 -0.31 -4.94 105.19 103.60 3i9h n GLY 22 Ca 0.09 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 5.10 -0.20 1.61 0.01 -1.26 0.42 114.94 120.62 3i9h s ASN 23 Ca 0.00 -1.88 -0.08 0.00 -0.71 0.00 0.00 52.86 50.19 3i9h s ASN 23 Cb 0.00 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.85 3i9h s ASN 23 CO 0.00 -0.45 0.09 -0.31 -1.51 0.00 0.00 177.10 174.92 3i9h s TYR 24 N 1.13 3.25 0.77 2.20 1.51 0.90 -4.99 117.35 122.12 3i9h s TYR 24 Ca 0.06 0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.13 3i9h s TYR 24 Cb -0.21 -2.14 0.13 0.00 -0.11 0.00 0.00 41.96 39.62 3i9h s TYR 24 CO -0.04 0.08 1.06 0.95 -1.11 0.00 0.00 175.55 176.49 3i9h s THR 25 N 0.66 2.14 0.09 -0.71 -4.23 -1.26 -1.11 115.64 111.22 3i9h s THR 25 Ca 0.05 -0.43 -0.27 0.00 -1.18 0.00 0.00 61.69 59.86 3i9h s THR 25 Cb -0.13 -2.71 -0.15 0.00 1.34 0.00 0.00 72.50 70.86 3i9h s THR 25 CO 0.01 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.03 3i9h h LEU 26 N -0.76 -0.37 -2.47 4.79 6.46 -1.91 0.15 115.31 121.21 3i9h h LEU 26 Ca -0.39 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 3i9h h LEU 26 Cb 1.27 0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.31 3i9h h LEU 26 CO 0.42 -0.24 -0.03 0.77 -0.62 0.00 0.00 178.44 178.75 3i9h h SER 27 N -0.37 0.00 0.39 1.25 4.64 -1.95 0.41 113.55 117.91 3i9h h SER 27 Ca -0.02 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.98 3i9h h SER 27 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3i9h h SER 27 CO 0.02 0.03 -1.57 1.56 -0.87 0.00 0.00 176.83 175.99 3i9h h GLN 28 N 0.00 0.30 -0.53 4.77 4.20 -1.80 -2.77 115.11 119.27 3i9h h GLN 28 Ca -0.00 -0.51 -0.10 0.00 0.06 0.00 0.00 58.65 58.10 3i9h h GLN 28 Cb 0.11 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3i9h h GLN 28 CO 0.00 1.18 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.22 3i9h h LEU 29 N 0.08 0.94 -0.92 1.46 3.38 -0.13 -1.60 115.31 118.52 3i9h h LEU 29 Ca -0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 3i9h h LEU 29 Cb 2.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.50 3i9h h LEU 29 CO 0.17 1.02 0.41 0.78 0.09 0.00 0.00 178.44 180.91 3i9h h ASN 30 N 0.86 1.07 -0.14 -0.43 2.35 -0.88 0.37 115.58 118.79 3i9h h ASN 30 Ca 0.15 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3i9h h ASN 30 Cb 0.58 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3i9h h ASN 30 CO 0.04 0.89 -0.13 0.74 -1.65 0.00 0.00 177.43 177.32 3i9h h THR 31 N 1.17 1.23 -0.07 2.81 2.02 -1.17 -1.47 112.91 117.44 3i9h h THR 31 Ca 0.29 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3i9h h THR 31 Cb 0.10 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3i9h h THR 31 CO -0.04 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.19 3i9h n ALA 32 N -2.48 2.55 -1.17 6.16 0.00 -0.62 -4.85 120.51 120.10 3i9h n ALA 32 Ca 0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.22 3i9h n ALA 32 Cb 0.33 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.14 -0.72 -3.45 0.00 5.02 -0.55 -4.95 118.16 113.38 3i9h n LYS 33 Ca 0.03 0.61 -0.40 0.00 -2.02 0.00 0.00 58.31 56.53 3i9h n LYS 33 Cb 0.18 -4.42 -0.10 0.00 -0.02 0.00 0.00 35.03 30.67 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 -2.07 5.21 0.80 -0.18 1.01 0.12 -4.97 121.20 121.12 3i9h s ILE 34 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 3i9h s ILE 34 Cb 0.00 -3.77 0.07 0.00 0.01 0.00 0.00 42.46 38.77 3i9h s ILE 34 CO 0.00 -0.04 1.09 -2.84 0.00 0.00 0.00 174.94 173.15 3i9h s PRO 35 N 1.92 2.02 0.38 2.79 0.02 -1.26 -3.09 135.00 137.78 3i9h s PRO 35 Ca 0.10 1.06 -0.22 0.00 0.02 0.00 0.00 61.00 61.96 3i9h s PRO 35 Cb -0.17 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 3i9h s PRO 35 CO 0.11 -1.78 0.93 1.21 -0.33 0.00 0.00 177.00 177.15 3i9h s ASN 36 N -3.42 7.07 -1.07 2.53 2.47 -1.26 -3.98 114.94 117.28 3i9h s ASN 36 Ca 0.62 1.72 -0.19 0.00 0.42 0.00 0.00 52.86 55.43 3i9h s ASN 36 Cb -0.17 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 3i9h s ASN 36 CO 0.56 -0.24 0.75 0.47 -3.72 0.00 0.00 177.10 174.92 3i9h n ASP 37 N -0.18 -5.33 0.00 -4.21 8.00 -0.97 -4.90 116.55 108.96 3i9h n ASP 37 Ca 0.05 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.58 3i9h n ASP 37 Cb 0.53 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 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 -3.90 0.00 -2.37 1.24 -0.00 -1.26 -4.67 117.44 106.49 3i9h n TRP 38 Ca -0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 56.97 3i9h n TRP 38 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.87 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 -1.17 4.48 0.00 5.87 1.75 -1.26 -4.60 119.30 124.37 3i9h s MET 39 Ca 0.00 1.87 0.00 0.00 -1.25 0.00 0.00 55.69 56.31 3i9h s MET 39 Cb 0.00 -3.25 0.00 0.00 2.84 0.00 0.00 34.83 34.42 3i9h s MET 39 CO 0.00 -0.11 0.00 2.41 -0.65 0.00 0.00 175.02 176.67 3i9h n THR 40 N 2.66 0.00 -3.85 10.11 -1.04 -0.67 -2.22 114.28 119.26 3i9h n THR 40 Ca 0.05 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.97 3i9h n THR 40 Cb 0.45 -0.56 -0.07 0.00 -1.82 0.00 0.00 70.33 68.32 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 -2.47 0.09 0.02 8.00 1.04 -1.16 -1.97 113.70 117.25 3i9h s SER 41 Ca 0.00 -0.64 -0.27 0.00 0.48 0.00 0.00 55.95 55.52 3i9h s SER 41 Cb 0.00 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.54 3i9h s SER 41 CO 0.00 -0.75 0.62 -1.48 0.98 0.00 0.00 173.24 172.62 3i9h s LEU 42 N -2.86 -0.50 -0.11 2.42 2.34 -0.43 -0.20 118.68 119.33 3i9h s LEU 42 Ca 0.05 0.44 -0.02 0.00 0.06 0.00 0.00 54.13 54.66 3i9h s LEU 42 Cb 0.05 2.46 -0.03 0.00 -0.56 0.00 0.00 46.19 48.10 3i9h s LEU 42 CO -0.11 -0.71 -0.03 -0.54 -1.06 0.00 0.00 176.35 173.90 3i9h s LYS 43 N -2.04 3.25 -0.12 1.48 1.02 -0.43 -0.37 119.74 122.54 3i9h s LYS 43 Ca -0.07 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.43 3i9h s LYS 43 Cb -0.00 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 3i9h s LYS 43 CO 0.02 0.48 -0.12 0.08 -0.92 0.00 0.00 175.35 174.89 3i9h s VAL 44 N -0.28 1.34 0.38 3.17 1.01 -1.26 -2.55 120.40 122.21 3i9h s VAL 44 Ca 0.05 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 3i9h s VAL 44 Cb -0.13 -1.27 -0.11 0.00 0.00 0.00 0.00 36.38 34.88 3i9h s VAL 44 CO 0.02 0.42 1.45 -2.65 0.00 0.00 0.00 175.10 174.33 3i9h n PRO 45 N 4.56 2.54 -1.76 2.72 -0.02 -1.26 -4.23 135.00 137.55 3i9h n PRO 45 Ca -0.17 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3i9h n PRO 45 Cb 0.51 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.37 3i9h n PRO 45 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i9h n SER 46 N 0.45 3.89 0.00 2.55 7.64 -1.26 -1.56 113.62 125.33 3i9h n SER 46 Ca 0.02 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3i9h n SER 46 Cb 0.39 -1.62 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 3i9h n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i9h n GLY 47 N 1.34 0.83 3.77 0.23 0.00 -1.26 -5.05 105.19 105.06 3i9h n GLY 47 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.86 2.97 -0.03 1.61 0.52 -0.60 -3.75 118.94 116.80 3i9h s TRP 48 Ca 0.00 -0.16 0.03 0.00 0.02 0.00 0.00 56.10 55.99 3i9h s TRP 48 Cb 0.00 -1.36 0.00 0.00 -1.15 0.00 0.00 33.47 30.96 3i9h s TRP 48 CO 0.00 0.53 -0.09 0.99 0.02 0.00 0.00 176.95 178.40 3i9h s THR 49 N -2.21 0.81 -0.17 2.01 2.01 -0.22 -4.53 115.64 113.34 3i9h s THR 49 Ca 0.33 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.96 3i9h s THR 49 Cb -0.07 -0.72 0.03 0.00 0.01 0.00 0.00 72.50 71.75 3i9h s THR 49 CO 0.23 0.25 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.61 3i9h s VAL 50 N 0.18 1.58 -0.44 3.82 1.01 -0.23 -0.59 120.40 125.74 3i9h s VAL 50 Ca -0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 3i9h s VAL 50 Cb -0.09 -1.58 0.08 0.00 0.00 0.00 0.00 36.38 34.79 3i9h s VAL 50 CO 0.01 0.31 0.31 -1.81 0.00 0.00 0.00 175.10 173.92 3i9h s ASP 51 N 1.45 5.82 -0.16 3.32 1.01 -0.17 -0.80 116.67 127.14 3i9h s ASP 51 Ca 0.02 -1.46 -0.22 0.00 0.71 0.00 0.00 52.55 51.60 3i9h s ASP 51 Cb -0.14 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 3i9h s ASP 51 CO -0.09 -0.58 0.65 -0.69 0.21 0.00 0.00 175.17 174.67 3i9h s VAL 52 N 1.50 5.03 -0.09 -1.27 1.01 0.75 -1.58 120.40 125.74 3i9h s VAL 52 Ca 0.03 1.27 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 3i9h s VAL 52 Cb -0.24 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3i9h s VAL 52 CO 0.04 0.16 0.01 -0.31 0.00 0.00 0.00 175.10 174.99 3i9h s TYR 53 N 1.55 3.18 0.13 5.22 1.51 0.04 -0.37 117.35 128.60 3i9h s TYR 53 Ca 0.31 0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 56.40 3i9h s TYR 53 Cb -0.16 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 3i9h s TYR 53 CO 0.12 0.47 1.72 1.49 -1.11 0.00 0.00 175.55 178.24 3i9h h GLU 54 N 5.19 0.47 -6.09 -0.62 4.81 -0.45 -1.52 114.58 116.37 3i9h h GLU 54 Ca -0.51 -0.06 -0.54 0.00 -0.13 0.00 0.00 59.36 58.12 3i9h h GLU 54 Cb 1.19 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3i9h h GLU 54 CO 0.55 0.41 -0.32 -0.80 -0.73 0.00 0.00 179.01 178.12 3i9h s ASN 55 N -5.66 4.81 0.80 1.04 0.01 -0.15 -3.76 114.94 112.04 3i9h s ASN 55 Ca -0.13 -1.02 -0.11 0.00 -0.71 0.00 0.00 52.86 50.89 3i9h s ASN 55 Cb 0.09 0.01 0.07 0.00 0.41 0.00 0.00 41.25 41.84 3i9h s ASN 55 CO 0.73 -0.94 1.09 -0.62 -1.51 0.00 0.00 177.10 175.85 3i9h s ASP 56 N -4.25 4.26 -1.45 -1.22 2.15 -1.26 -3.72 116.67 111.19 3i9h s ASP 56 Ca 0.42 1.73 -0.10 0.00 0.43 0.00 0.00 52.55 55.03 3i9h s ASP 56 Cb -0.03 -2.43 0.04 0.00 -0.30 0.00 0.00 42.92 40.21 3i9h s ASP 56 CO 0.25 -2.17 0.97 0.59 -0.17 0.00 0.00 175.17 174.64 3i9h n ASN 57 N -3.61 -5.73 -3.73 -0.34 3.02 -1.26 -3.22 115.26 100.39 3i9h n ASN 57 Ca 0.08 -0.55 -0.23 0.00 -0.03 0.00 0.00 54.58 53.86 3i9h n ASN 57 Cb 0.54 -4.56 0.03 0.00 -0.61 0.00 0.00 39.78 35.18 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 -4.76 -1.99 -4.43 3.10 3.01 -1.25 -5.00 117.46 106.13 3i9h n PHE 58 Ca -0.00 0.85 -0.22 0.00 1.01 0.00 0.00 57.45 59.09 3i9h n PHE 58 Cb 0.56 -4.34 -0.09 0.00 -0.01 0.00 0.00 39.48 35.60 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 -3.61 0.68 0.00 4.37 -4.23 -1.20 -5.05 115.64 106.60 3i9h s THR 59 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3i9h s THR 59 Cb -0.06 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3i9h s THR 59 CO 0.81 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.50 3i9h n GLY 60 N -0.73 -1.95 3.76 3.99 0.00 -1.26 -0.98 105.19 108.03 3i9h n GLY 60 Ca -0.03 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 2.38 -0.12 2.61 2.01 -1.26 -4.63 115.64 116.63 3i9h s THR 61 Ca 0.00 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.31 3i9h s THR 61 Cb 0.00 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.37 3i9h s THR 61 CO 0.00 0.01 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.05 3i9h s LYS 62 N -2.68 2.17 -0.17 4.92 2.20 -1.26 0.03 119.74 124.95 3i9h s LYS 62 Ca 0.66 -0.53 -0.07 0.00 -0.36 0.00 0.00 55.97 55.67 3i9h s LYS 62 Cb -0.38 -1.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 3i9h s LYS 62 CO 0.47 -0.13 0.05 -1.58 -0.36 0.00 0.00 175.35 173.80 3i9h s TRP 63 N 1.19 3.24 -0.12 4.03 0.51 0.50 -4.93 118.94 123.35 3i9h s TRP 63 Ca -0.02 0.06 -0.05 0.00 -2.12 0.00 0.00 56.10 53.96 3i9h s TRP 63 Cb -0.14 -2.05 -0.04 0.00 -0.81 0.00 0.00 33.47 30.43 3i9h s TRP 63 CO -0.05 0.17 0.07 0.99 -0.51 0.00 0.00 176.95 177.62 3i9h s THR 64 N 0.27 4.92 -0.05 2.01 2.01 -1.26 -0.18 115.64 123.36 3i9h s THR 64 Ca 0.03 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.02 3i9h s THR 64 Cb -0.12 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.27 3i9h s THR 64 CO 0.01 0.58 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.18 3i9h s TYR 65 N -0.67 0.64 0.00 4.92 1.51 0.02 -4.99 117.35 118.77 3i9h s TYR 65 Ca 0.12 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 3i9h s TYR 65 Cb -0.12 -0.66 0.00 0.00 -0.11 0.00 0.00 41.96 41.07 3i9h s TYR 65 CO 0.02 -0.22 0.66 0.25 -1.11 0.00 0.00 175.55 175.15 3i9h n THR 66 N 4.42 0.39 -4.14 -0.71 -2.24 -1.26 -1.06 114.28 109.68 3i9h n THR 66 Ca -0.19 -0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 60.84 3i9h n THR 66 Cb 0.50 0.88 -0.09 0.00 -2.10 0.00 0.00 70.33 69.53 3i9h n THR 66 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i9h s SER 67 N -0.39 0.10 0.34 3.42 0.01 -1.26 -4.63 113.70 111.29 3i9h s SER 67 Ca 0.00 -1.26 -0.29 0.00 1.31 0.00 0.00 55.95 55.72 3i9h s SER 67 Cb 0.00 0.45 -0.11 0.00 0.21 0.00 0.00 66.02 66.57 3i9h s SER 67 CO 0.00 -0.94 1.48 -1.81 0.41 0.00 0.00 173.24 172.38 3i9h s ASP 68 N -3.12 6.45 -0.30 2.44 1.01 -1.26 -4.23 116.67 117.66 3i9h s ASP 68 Ca 0.34 2.93 -0.01 0.00 0.71 0.00 0.00 52.55 56.52 3i9h s ASP 68 Cb 0.05 -2.65 0.10 0.00 1.01 0.00 0.00 42.92 41.42 3i9h s ASP 68 CO 0.11 -0.81 0.10 -0.89 0.21 0.00 0.00 175.17 173.89 3i9h s THR 69 N -0.75 0.76 -0.45 -1.27 2.01 0.51 -4.94 115.64 111.51 3i9h s THR 69 Ca 0.55 -1.28 0.25 0.00 0.31 0.00 0.00 61.69 61.53 3i9h s THR 69 Cb -0.45 -1.56 0.27 0.00 0.01 0.00 0.00 72.50 70.77 3i9h s THR 69 CO 0.56 -0.65 1.74 1.55 -0.69 0.00 0.00 174.62 177.14 3i9h h PRO 70 N 8.13 0.00 -2.32 4.92 0.13 -1.91 -1.13 132.00 139.82 3i9h h PRO 70 Ca -0.14 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.82 3i9h h PRO 70 Cb 1.02 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.85 3i9h h PRO 70 CO 0.46 0.00 -0.48 -0.46 -0.23 0.00 0.00 178.00 177.29 3i9h s TRP 71 N -3.33 -0.68 -0.77 1.56 -0.00 -1.26 -0.18 118.94 114.29 3i9h s TRP 71 Ca 0.05 0.98 0.26 0.00 -0.00 0.00 0.00 56.10 57.39 3i9h s TRP 71 Cb 0.10 0.04 0.91 0.00 -0.00 0.00 0.00 33.47 34.51 3i9h s TRP 71 CO 0.43 -0.57 1.80 1.33 -0.00 0.00 0.00 176.95 179.94 3i9h n VAL 72 N 5.36 0.50 0.00 5.86 0.24 -0.83 -5.03 118.33 124.44 3i9h n VAL 72 Ca -0.06 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3i9h n VAL 72 Cb 0.50 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 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 1.22 0.99 0.36 7.63 0.00 -1.26 -4.29 105.19 109.84 3i9h n GLY 73 Ca 0.06 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.51 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 0.82 -0.31 1.61 2.35 -1.95 0.30 115.58 118.39 3i9h h ASN 74 Ca 0.00 0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3i9h h ASN 74 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3i9h h ASN 74 CO 0.00 0.33 -0.00 0.44 -1.65 0.00 0.00 177.43 176.54 3i9h h ASP 75 N 0.82 0.55 0.85 5.81 3.45 -2.04 -3.21 116.42 122.65 3i9h h ASP 75 Ca 0.56 -0.31 0.00 0.00 0.43 0.00 0.00 57.03 57.71 3i9h h ASP 75 Cb 0.81 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 3i9h h ASP 75 CO -0.35 0.73 -0.63 0.00 -1.57 0.00 0.00 179.24 177.41 3i9h n ALA 76 N -2.37 2.94 -1.70 3.45 0.00 -0.98 -4.88 120.51 116.97 3i9h n ALA 76 Ca -0.02 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 3i9h n ALA 76 Cb 0.27 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.09 3.80 -3.51 0.00 5.15 0.10 -2.80 115.26 115.91 3i9h n ASN 77 Ca 0.03 1.05 -0.25 0.00 -0.60 0.00 0.00 54.58 54.81 3i9h n ASN 77 Cb 0.44 -1.54 0.05 0.00 -0.53 0.00 0.00 39.78 38.20 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 4.14 -5.66 0.00 1.20 8.00 -0.94 -4.89 116.55 118.40 3i9h n ASP 78 Ca 0.17 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.14 3i9h n ASP 78 Cb 0.34 -4.51 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 3i9h n ASP 78 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i9h n LYS 79 N -4.55 4.75 -1.66 -1.24 5.02 -1.12 -4.23 118.16 115.13 3i9h n LYS 79 Ca -0.01 -0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.82 3i9h n LYS 79 Cb 0.56 -0.39 -0.03 0.00 -0.02 0.00 0.00 35.03 35.15 3i9h n LYS 79 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3i9h n MET 80 N -0.68 2.62 -0.00 1.97 1.56 -1.26 -4.37 117.12 116.96 3i9h n MET 80 Ca 0.00 0.95 0.01 0.00 -0.27 0.00 0.00 57.70 58.39 3i9h n MET 80 Cb 0.00 -2.94 -0.02 0.00 2.15 0.00 0.00 33.22 32.41 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 5.65 0.04 -3.63 1.12 -1.04 -0.58 -2.28 114.28 113.56 3i9h n THR 81 Ca 0.22 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.05 62.04 3i9h n THR 81 Cb 0.38 0.13 -0.05 0.00 -1.82 0.00 0.00 70.33 68.97 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 -2.55 -0.26 -0.08 8.00 1.04 -1.20 -2.72 113.70 115.93 3i9h s SER 82 Ca -0.01 -0.24 -0.28 0.00 0.48 0.00 0.00 55.95 55.90 3i9h s SER 82 Cb 0.02 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.67 3i9h s SER 82 CO 0.11 -0.82 0.64 0.54 0.98 0.00 0.00 173.24 174.69 3i9h s VAL 83 N -3.54 0.01 -0.08 5.02 0.11 -0.26 -0.78 120.40 120.86 3i9h s VAL 83 Ca 0.01 -0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 3i9h s VAL 83 Cb 0.01 -0.94 -0.00 0.00 -1.53 0.00 0.00 36.38 33.92 3i9h s VAL 83 CO -0.10 -0.03 -0.24 -0.54 -3.33 0.00 0.00 175.10 170.86 3i9h s LYS 84 N -0.91 2.86 -0.13 1.54 1.02 -0.62 -0.07 119.74 123.43 3i9h s LYS 84 Ca -0.09 -0.89 0.02 0.00 0.02 0.00 0.00 55.97 55.03 3i9h s LYS 84 Cb -0.01 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 3i9h s LYS 84 CO 0.08 0.25 -0.21 0.42 -0.92 0.00 0.00 175.35 174.97 3i9h s ILE 85 N 0.15 2.23 0.02 2.17 1.01 0.17 -1.00 121.20 125.96 3i9h s ILE 85 Ca -0.13 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 59.67 3i9h s ILE 85 Cb -0.16 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3i9h s ILE 85 CO 0.07 0.54 -0.24 -0.31 0.00 0.00 0.00 174.94 175.01 3i9h s TYR 86 N 0.66 2.40 -2.05 3.97 1.51 0.25 -1.16 117.35 122.92 3i9h s TYR 86 Ca -0.10 -0.37 0.16 0.00 -1.01 0.00 0.00 57.07 55.74 3i9h s TYR 86 Cb -0.16 -1.45 0.45 0.00 -0.11 0.00 0.00 41.96 40.69 3i9h s TYR 86 CO 0.02 0.11 1.37 -1.13 -1.11 0.00 0.00 175.55 174.81 3i9h n SER 87 N 1.96 2.51 0.00 2.29 3.41 -1.26 -1.06 113.62 121.47 3i9h n SER 87 Ca -0.17 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 3i9h n SER 87 Cb 0.52 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3i9h n SER 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29