#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 -2.02 -0.22 0.58 0.00 -1.26 -4.95 121.76 113.89 3i9h s ALA 3 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 3i9h s ALA 3 Cb 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3i9h s ALA 3 CO 0.00 -1.07 0.24 0.08 0.00 0.00 0.00 175.76 175.01 3i9h s VAL 4 N -2.55 5.31 -0.23 0.00 1.01 -0.85 -4.29 120.40 118.80 3i9h s VAL 4 Ca 0.17 0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 3i9h s VAL 4 Cb 0.01 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3i9h s VAL 4 CO -0.00 0.32 -0.01 -0.89 0.00 0.00 0.00 175.10 174.52 3i9h s THR 5 N 1.10 3.69 -0.06 3.92 2.01 -0.90 -1.00 115.64 124.41 3i9h s THR 5 Ca 0.12 -0.39 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 3i9h s THR 5 Cb -0.14 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 3i9h s THR 5 CO 0.05 0.40 0.36 -0.36 -0.69 0.00 0.00 174.62 174.38 3i9h s PHE 6 N 1.49 3.64 0.06 4.92 0.40 -0.14 -1.12 117.98 127.23 3i9h s PHE 6 Ca 0.06 0.85 0.08 0.00 -0.60 0.00 0.00 56.93 57.32 3i9h s PHE 6 Cb -0.15 -2.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 3i9h s PHE 6 CO -0.01 0.53 -0.20 0.71 0.70 0.00 0.00 175.22 176.95 3i9h s TYR 7 N -0.61 2.49 0.16 0.36 1.51 0.10 -1.53 117.35 119.83 3i9h s TYR 7 Ca 0.21 -0.30 -0.11 0.00 -1.01 0.00 0.00 57.07 55.86 3i9h s TYR 7 Cb -0.15 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.32 3i9h s TYR 7 CO 0.10 0.25 1.62 1.49 -1.11 0.00 0.00 175.55 177.90 3i9h h GLU 8 N 4.42 0.94 -5.72 -0.62 4.81 -0.22 -1.82 114.58 116.37 3i9h h GLU 8 Ca -0.48 -0.30 -0.61 0.00 -0.13 0.00 0.00 59.36 57.84 3i9h h GLU 8 Cb 1.16 -0.09 -0.12 0.00 0.63 0.00 0.00 28.75 30.33 3i9h h GLU 8 CO 0.46 0.95 -0.58 -0.51 -0.73 0.00 0.00 179.01 178.60 3i9h s ASP 9 N -6.43 4.01 0.76 1.04 1.01 0.58 -3.82 116.67 113.82 3i9h s ASP 9 Ca -0.12 -1.29 -0.15 0.00 0.71 0.00 0.00 52.55 51.69 3i9h s ASP 9 Cb 0.12 -0.42 0.04 0.00 1.01 0.00 0.00 42.92 43.67 3i9h s ASP 9 CO 0.83 -0.47 1.08 0.00 0.21 0.00 0.00 175.17 176.83 3i9h n ILE 10 N -1.03 2.65 -3.74 0.77 3.06 -1.26 -2.57 119.36 117.24 3i9h n ILE 10 Ca -0.04 -0.31 -0.25 0.00 -2.50 0.00 0.00 62.75 59.65 3i9h n ILE 10 Cb 0.66 -1.17 0.05 0.00 0.54 0.00 0.00 39.64 39.72 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 -2.35 -3.70 -3.85 9.51 3.02 -0.13 -2.33 115.26 115.42 3i9h n ASN 11 Ca 0.13 -0.73 -0.30 0.00 -0.03 0.00 0.00 54.58 53.65 3i9h n ASN 11 Cb 0.50 -4.30 -0.00 0.00 -0.61 0.00 0.00 39.78 35.37 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 -4.56 -1.95 -3.10 3.10 4.02 -1.19 -4.97 117.16 108.51 3i9h n TYR 12 Ca -0.11 0.73 -0.17 0.00 -0.01 0.00 0.00 57.90 58.34 3i9h n TYR 12 Cb 0.59 -3.30 0.01 0.00 -0.02 0.00 0.00 39.34 36.62 3i9h n TYR 12 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3i9h s GLY 13 N -3.11 1.92 0.00 2.72 0.00 -0.99 -4.94 107.32 102.93 3i9h s GLY 13 Ca 0.62 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.67 3i9h s GLY 13 CO 0.76 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.98 3i9h n GLY 14 N -1.80 -0.65 3.77 0.20 0.00 -1.26 -0.31 105.19 105.13 3i9h n GLY 14 Ca 0.07 -1.13 -0.36 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 -1.26 2.69 -0.00 4.61 0.00 -1.26 -4.70 121.76 121.84 3i9h s ALA 15 Ca 0.00 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 52.76 3i9h s ALA 15 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3i9h s ALA 15 CO 0.00 -0.87 0.20 -1.54 0.00 0.00 0.00 175.76 173.55 3i9h s SER 16 N -1.67 -0.05 -0.01 0.00 1.04 -1.26 0.21 113.70 111.96 3i9h s SER 16 Ca 0.73 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.05 3i9h s SER 16 Cb -0.26 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.11 3i9h s SER 16 CO 0.30 -0.40 0.01 -0.69 0.98 0.00 0.00 173.24 173.44 3i9h s VAL 17 N -1.37 -0.01 -0.07 5.02 1.01 -0.58 -4.97 120.40 119.42 3i9h s VAL 17 Ca -0.14 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 3i9h s VAL 17 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 3i9h s VAL 17 CO 0.02 0.06 0.12 -0.44 0.00 0.00 0.00 175.10 174.86 3i9h s SER 18 N 0.62 6.07 0.09 3.32 0.01 -1.26 -0.97 113.70 121.58 3i9h s SER 18 Ca -0.05 0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.57 3i9h s SER 18 Cb -0.08 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 3i9h s SER 18 CO -0.02 0.35 -0.08 -0.76 0.41 0.00 0.00 173.24 173.15 3i9h s LEU 19 N -1.31 2.42 0.53 2.44 1.43 -0.17 -4.97 118.68 119.06 3i9h s LEU 19 Ca 0.18 -0.84 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 3i9h s LEU 19 Cb -0.12 -0.17 0.05 0.00 0.03 0.00 0.00 46.19 45.99 3i9h s LEU 19 CO 0.08 -0.34 0.73 -1.10 0.23 0.00 0.00 176.35 175.95 3i9h s GLN 20 N -2.99 2.47 0.63 1.70 -1.52 -1.26 -2.01 119.66 116.68 3i9h s GLN 20 Ca 0.05 -1.30 -0.18 0.00 -1.95 0.00 0.00 55.36 51.98 3i9h s GLN 20 Cb -0.01 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 30.11 3i9h s GLN 20 CO -0.02 -0.68 0.90 -2.30 -0.25 0.00 0.00 175.29 172.93 3i9h n PRO 21 N -2.18 0.74 0.00 2.91 -0.02 -1.26 -4.85 135.00 130.34 3i9h n PRO 21 Ca 0.12 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3i9h n PRO 21 Cb 0.60 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.33 1.15 3.13 -1.23 0.00 -0.58 -4.96 105.19 104.03 3i9h n GLY 22 Ca 0.13 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 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 4.83 -0.22 1.61 0.01 -1.26 -0.96 114.94 118.95 3i9h s ASN 23 Ca 0.00 -1.51 -0.08 0.00 -0.71 0.00 0.00 52.86 50.56 3i9h s ASN 23 Cb 0.00 -1.68 -0.04 0.00 0.41 0.00 0.00 41.25 39.94 3i9h s ASN 23 CO 0.00 -0.30 0.08 -0.31 -1.51 0.00 0.00 177.10 175.06 3i9h s TYR 24 N 1.16 3.19 0.70 2.20 1.51 -0.13 -5.00 117.35 120.98 3i9h s TYR 24 Ca -0.02 -0.08 -0.06 0.00 -1.01 0.00 0.00 57.07 55.90 3i9h s TYR 24 Cb -0.20 -2.17 0.06 0.00 -0.11 0.00 0.00 41.96 39.54 3i9h s TYR 24 CO -0.03 -0.06 1.00 0.95 -1.11 0.00 0.00 175.55 176.30 3i9h s THR 25 N 0.97 2.30 0.17 -0.71 -4.23 -1.26 -1.45 115.64 111.42 3i9h s THR 25 Ca 0.04 -0.31 -0.22 0.00 -1.18 0.00 0.00 61.69 60.02 3i9h s THR 25 Cb -0.14 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.78 3i9h s THR 25 CO 0.03 0.00 1.60 0.25 -0.54 0.00 0.00 174.62 175.96 3i9h h LEU 26 N -0.56 -1.04 -0.76 4.79 5.85 -1.83 0.89 115.31 122.65 3i9h h LEU 26 Ca -0.44 0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.60 3i9h h LEU 26 Cb 1.31 0.49 -0.09 0.00 0.37 0.00 0.00 40.66 42.75 3i9h h LEU 26 CO 0.58 -0.31 0.34 -1.28 -0.34 0.00 0.00 178.44 177.43 3i9h h SER 27 N -0.23 0.37 -0.40 1.25 0.87 -1.94 0.90 113.55 114.37 3i9h h SER 27 Ca 0.18 0.09 -0.15 0.00 -1.23 0.00 0.00 61.79 60.69 3i9h h SER 27 Cb 0.53 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 3i9h h SER 27 CO -0.54 0.16 -0.32 1.56 -0.53 0.00 0.00 176.83 177.17 3i9h h GLN 28 N 0.52 0.93 -0.53 2.24 4.20 -1.60 -1.91 115.11 118.96 3i9h h GLN 28 Ca 0.41 -0.46 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3i9h h GLN 28 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3i9h h GLN 28 CO -0.36 1.11 0.23 -0.07 -0.67 0.00 0.00 178.83 179.07 3i9h h LEU 29 N 0.75 0.72 -1.09 1.46 3.38 0.10 -1.99 115.31 118.64 3i9h h LEU 29 Ca 0.07 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3i9h h LEU 29 Cb 0.90 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3i9h h LEU 29 CO 0.08 0.68 0.59 0.78 0.09 0.00 0.00 178.44 180.66 3i9h h ASN 30 N 0.72 1.05 -0.48 -0.43 2.35 -0.75 0.22 115.58 118.25 3i9h h ASN 30 Ca 0.18 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3i9h h ASN 30 Cb 0.17 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3i9h h ASN 30 CO -0.02 0.77 0.24 0.74 -1.65 0.00 0.00 177.43 177.51 3i9h h THR 31 N 1.23 1.18 -0.16 2.81 2.02 -0.88 -0.83 112.91 118.28 3i9h h THR 31 Ca 0.33 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3i9h h THR 31 Cb -0.13 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3i9h h THR 31 CO -0.07 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.03 3i9h n ALA 32 N -2.46 2.54 -1.49 6.16 0.00 -0.25 -4.88 120.51 120.14 3i9h n ALA 32 Ca 0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 3i9h n ALA 32 Cb 0.13 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 0.01 -0.57 -3.61 0.00 4.76 -0.32 -4.93 118.16 113.49 3i9h n LYS 33 Ca 0.06 0.67 -0.40 0.00 -2.87 0.00 0.00 58.31 55.76 3i9h n LYS 33 Cb 0.20 -4.53 -0.11 0.00 -1.84 0.00 0.00 35.03 28.75 3i9h n LYS 33 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3i9h s ILE 34 N -2.32 4.43 0.87 -0.18 1.01 -0.10 -4.97 121.20 119.95 3i9h s ILE 34 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 3i9h s ILE 34 Cb 0.00 -3.52 0.11 0.00 0.01 0.00 0.00 42.46 39.06 3i9h s ILE 34 CO 0.00 -0.28 1.11 -2.16 0.00 0.00 0.00 174.94 173.62 3i9h s PRO 35 N 1.52 1.49 0.53 2.79 0.04 -1.26 -2.99 135.00 137.11 3i9h s PRO 35 Ca 0.02 0.48 -0.20 0.00 0.04 0.00 0.00 61.00 61.34 3i9h s PRO 35 Cb -0.20 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3i9h s PRO 35 CO 0.06 -2.00 1.11 1.21 0.04 0.00 0.00 177.00 177.42 3i9h s ASN 36 N -3.90 5.88 -1.21 6.66 3.84 -1.26 -3.92 114.94 121.02 3i9h s ASN 36 Ca 0.63 2.14 -0.27 0.00 0.21 0.00 0.00 52.86 55.56 3i9h s ASN 36 Cb -0.15 -2.58 0.02 0.00 -0.55 0.00 0.00 41.25 37.99 3i9h s ASN 36 CO 0.54 -1.11 0.69 0.47 -2.79 0.00 0.00 177.10 174.90 3i9h n ASP 37 N -1.17 -4.25 0.00 -4.21 8.00 -0.76 -4.86 116.55 109.30 3i9h n ASP 37 Ca 0.11 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.42 3i9h n ASP 37 Cb 0.51 -2.35 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 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 -4.70 0.00 -2.37 1.24 -0.00 -1.25 -4.63 117.44 105.73 3i9h n TRP 38 Ca -0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 56.96 3i9h n TRP 38 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.86 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 -0.63 4.43 0.00 5.87 1.75 -1.26 -4.51 119.30 124.96 3i9h s MET 39 Ca 0.00 1.85 0.00 0.00 -1.25 0.00 0.00 55.69 56.29 3i9h s MET 39 Cb 0.00 -3.30 0.00 0.00 2.84 0.00 0.00 34.83 34.37 3i9h s MET 39 CO 0.00 -0.24 0.00 2.41 -0.65 0.00 0.00 175.02 176.54 3i9h n THR 40 N 3.58 0.00 -3.84 10.11 -1.04 -0.69 -2.33 114.28 120.07 3i9h n THR 40 Ca 0.08 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.99 3i9h n THR 40 Cb 0.45 -0.86 -0.08 0.00 -1.82 0.00 0.00 70.33 68.03 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 -2.78 0.06 0.06 8.00 1.04 -1.19 -1.39 113.70 117.50 3i9h s SER 41 Ca 0.00 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 55.77 3i9h s SER 41 Cb 0.00 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.48 3i9h s SER 41 CO 0.00 -0.64 0.42 -1.48 0.98 0.00 0.00 173.24 172.52 3i9h s LEU 42 N -2.43 0.35 -0.13 2.42 2.34 -0.84 0.01 118.68 120.40 3i9h s LEU 42 Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 54.13 54.12 3i9h s LEU 42 Cb 0.02 1.81 -0.02 0.00 -0.56 0.00 0.00 46.19 47.43 3i9h s LEU 42 CO -0.07 -0.71 -0.10 -0.54 -1.06 0.00 0.00 176.35 173.87 3i9h s LYS 43 N -2.77 3.35 -0.10 1.48 1.02 -0.27 -0.44 119.74 122.02 3i9h s LYS 43 Ca -0.03 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.36 3i9h s LYS 43 Cb -0.00 -2.69 0.01 0.00 -0.52 0.00 0.00 37.83 34.62 3i9h s LYS 43 CO -0.04 0.29 -0.19 0.08 -0.92 0.00 0.00 175.35 174.57 3i9h s VAL 44 N 0.17 1.71 0.27 3.17 1.01 -1.26 -2.11 120.40 123.36 3i9h s VAL 44 Ca -0.05 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3i9h s VAL 44 Cb -0.15 -1.51 -0.11 0.00 0.00 0.00 0.00 36.38 34.61 3i9h s VAL 44 CO 0.04 0.48 1.62 -2.84 0.00 0.00 0.00 175.10 174.41 3i9h s PRO 45 N 0.59 4.13 0.12 2.72 0.02 -1.26 -4.15 135.00 137.17 3i9h s PRO 45 Ca -0.14 2.58 -0.31 0.00 0.02 0.00 0.00 61.00 63.14 3i9h s PRO 45 Cb -0.17 -3.04 -0.10 0.00 0.02 0.00 0.00 34.50 31.21 3i9h s PRO 45 CO 0.05 -0.66 1.84 -1.54 -0.33 0.00 0.00 177.00 176.35 3i9h s SER 46 N 0.68 6.42 0.00 2.53 1.04 -1.26 -0.96 113.70 122.15 3i9h s SER 46 Ca 0.66 2.76 0.00 0.00 0.48 0.00 0.00 55.95 59.86 3i9h s SER 46 Cb -0.48 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.07 3i9h s SER 46 CO 0.43 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3i9h n GLY 47 N 4.25 1.32 3.91 7.32 0.00 -1.26 -5.09 105.19 115.65 3i9h n GLY 47 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.09 3.01 0.01 1.61 0.52 -0.13 -2.90 118.94 118.97 3i9h s TRP 48 Ca 0.00 -0.25 0.03 0.00 0.02 0.00 0.00 56.10 55.90 3i9h s TRP 48 Cb 0.00 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 3i9h s TRP 48 CO 0.00 0.11 -0.09 0.99 0.02 0.00 0.00 176.95 177.98 3i9h s THR 49 N -2.24 0.73 -0.14 2.01 2.01 -0.47 -4.59 115.64 112.96 3i9h s THR 49 Ca 0.42 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 3i9h s THR 49 Cb -0.08 -0.65 0.04 0.00 0.01 0.00 0.00 72.50 71.82 3i9h s THR 49 CO 0.29 0.08 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.56 3i9h s VAL 50 N -0.48 0.93 -0.40 3.82 1.01 0.05 -0.98 120.40 124.36 3i9h s VAL 50 Ca 0.01 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 3i9h s VAL 50 Cb -0.05 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.28 3i9h s VAL 50 CO 0.00 0.19 0.25 -1.81 0.00 0.00 0.00 175.10 173.72 3i9h s ASP 51 N 1.72 5.79 -0.12 3.32 1.01 -0.06 -0.72 116.67 127.61 3i9h s ASP 51 Ca 0.02 -1.13 -0.19 0.00 0.71 0.00 0.00 52.55 51.96 3i9h s ASP 51 Cb -0.14 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 3i9h s ASP 51 CO -0.08 -0.45 0.53 -0.69 0.21 0.00 0.00 175.17 174.69 3i9h s VAL 52 N 1.55 5.15 -0.09 -1.27 1.01 0.10 -1.18 120.40 125.66 3i9h s VAL 52 Ca 0.03 1.05 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 3i9h s VAL 52 Cb -0.21 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3i9h s VAL 52 CO 0.06 0.28 -0.01 -0.31 0.00 0.00 0.00 175.10 175.13 3i9h s TYR 53 N 0.86 3.13 0.17 5.22 1.51 0.33 -0.97 117.35 127.60 3i9h s TYR 53 Ca 0.28 0.13 -0.14 0.00 -1.01 0.00 0.00 57.07 56.33 3i9h s TYR 53 Cb -0.16 -1.81 0.06 0.00 -0.11 0.00 0.00 41.96 39.95 3i9h s TYR 53 CO 0.11 0.40 1.80 1.49 -1.11 0.00 0.00 175.55 178.24 3i9h h GLU 54 N 5.37 0.73 -5.71 -0.62 4.81 -1.07 -1.77 114.58 116.33 3i9h h GLU 54 Ca -0.48 -0.07 -0.61 0.00 -0.13 0.00 0.00 59.36 58.07 3i9h h GLU 54 Cb 1.19 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.34 3i9h h GLU 54 CO 0.56 0.54 -0.39 -0.80 -0.73 0.00 0.00 179.01 178.19 3i9h s ASN 55 N -5.78 4.46 0.85 1.04 0.01 -0.23 -4.06 114.94 111.23 3i9h s ASN 55 Ca -0.13 -1.35 -0.12 0.00 -0.71 0.00 0.00 52.86 50.55 3i9h s ASN 55 Cb 0.12 0.36 0.10 0.00 0.41 0.00 0.00 41.25 42.24 3i9h s ASN 55 CO 0.75 -0.97 1.10 -0.62 -1.51 0.00 0.00 177.10 175.85 3i9h s ASP 56 N -4.12 4.02 -1.47 -1.22 2.15 -1.26 -3.46 116.67 111.30 3i9h s ASP 56 Ca 0.26 1.31 -0.11 0.00 0.43 0.00 0.00 52.55 54.44 3i9h s ASP 56 Cb -0.01 -2.01 0.06 0.00 -0.30 0.00 0.00 42.92 40.67 3i9h s ASP 56 CO 0.16 -2.27 0.88 0.59 -0.17 0.00 0.00 175.17 174.36 3i9h n ASN 57 N -3.62 -5.15 -3.64 -0.34 3.02 -1.26 -3.15 115.26 101.11 3i9h n ASN 57 Ca 0.07 -0.59 -0.22 0.00 -0.03 0.00 0.00 54.58 53.80 3i9h n ASN 57 Cb 0.56 -4.12 0.04 0.00 -0.61 0.00 0.00 39.78 35.65 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 -4.59 -1.98 -4.35 3.10 3.01 -1.26 -5.01 117.46 106.38 3i9h n PHE 58 Ca 0.00 0.78 -0.20 0.00 1.01 0.00 0.00 57.45 59.04 3i9h n PHE 58 Cb 0.55 -4.23 -0.09 0.00 -0.01 0.00 0.00 39.48 35.71 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 -3.60 0.24 0.00 4.37 -4.23 -1.19 -5.05 115.64 106.18 3i9h s THR 59 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 3i9h s THR 59 Cb -0.03 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.34 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 -0.66 -2.08 3.76 3.99 0.00 -1.26 -1.07 105.19 107.87 3i9h n GLY 60 Ca 0.02 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 3i9h n GLY 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9h n THR 61 N -0.02 2.69 -3.99 2.61 -1.04 -1.26 -4.60 114.28 108.67 3i9h n THR 61 Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 3i9h n THR 61 Cb 0.00 -1.84 -0.15 0.00 -1.82 0.00 0.00 70.33 66.52 3i9h n THR 61 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3i9h s LYS 62 N -2.39 2.97 -0.16 -2.82 2.20 -1.26 -0.98 119.74 117.29 3i9h s LYS 62 Ca 0.60 -0.88 -0.05 0.00 -0.36 0.00 0.00 55.97 55.28 3i9h s LYS 62 Cb -0.46 -2.89 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 3i9h s LYS 62 CO 0.58 -0.32 0.00 -1.58 -0.36 0.00 0.00 175.35 173.68 3i9h s TRP 63 N 1.34 3.12 -0.13 4.03 0.51 -0.14 -4.94 118.94 122.74 3i9h s TRP 63 Ca 0.02 -0.13 -0.03 0.00 -2.12 0.00 0.00 56.10 53.84 3i9h s TRP 63 Cb -0.15 -2.00 -0.03 0.00 -0.81 0.00 0.00 33.47 30.47 3i9h s TRP 63 CO -0.06 0.06 -0.01 0.99 -0.51 0.00 0.00 176.95 177.41 3i9h s THR 64 N 0.32 4.13 -0.05 2.01 2.01 -1.26 0.03 115.64 122.82 3i9h s THR 64 Ca -0.01 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.72 3i9h s THR 64 Cb -0.13 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.61 3i9h s THR 64 CO 0.02 0.53 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.08 3i9h s TYR 65 N -0.10 1.13 -0.08 4.92 1.51 0.10 -4.99 117.35 119.84 3i9h s TYR 65 Ca 0.03 -0.38 0.11 0.00 -1.01 0.00 0.00 57.07 55.82 3i9h s TYR 65 Cb -0.13 -0.88 0.17 0.00 -0.11 0.00 0.00 41.96 41.01 3i9h s TYR 65 CO 0.02 -0.23 1.06 0.25 -1.11 0.00 0.00 175.55 175.54 3i9h n THR 66 N 3.89 1.27 -3.79 -0.71 -2.24 -1.26 -0.77 114.28 110.67 3i9h n THR 66 Ca -0.24 -1.49 -0.04 0.00 -2.27 0.00 0.00 64.05 60.01 3i9h n THR 66 Cb 0.51 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.05 -0.19 0.16 3.42 1.04 -1.26 -4.65 113.70 110.18 3i9h s SER 67 Ca 0.19 -0.48 -0.34 0.00 0.48 0.00 0.00 55.95 55.80 3i9h s SER 67 Cb 0.16 0.55 -0.14 0.00 0.10 0.00 0.00 66.02 66.70 3i9h s SER 67 CO 0.02 -1.03 1.57 0.47 0.98 0.00 0.00 173.24 175.25 3i9h n ASP 68 N -0.50 3.07 -3.81 7.02 8.00 -1.26 -4.23 116.55 124.84 3i9h n ASP 68 Ca -0.05 1.08 -0.30 0.00 0.71 0.00 0.00 54.79 56.23 3i9h n ASP 68 Cb 0.60 -1.42 -0.15 0.00 -0.02 0.00 0.00 41.12 40.13 3i9h n ASP 68 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3i9h s THR 69 N 0.88 1.14 0.44 -3.53 2.01 0.42 -4.95 115.64 112.05 3i9h s THR 69 Ca 0.79 -1.40 0.30 0.00 0.31 0.00 0.00 61.69 61.68 3i9h s THR 69 Cb -0.68 -1.76 0.32 0.00 0.01 0.00 0.00 72.50 70.40 3i9h s THR 69 CO 0.38 -0.51 2.12 1.55 -0.69 0.00 0.00 174.62 177.47 3i9h h PRO 70 N 8.02 0.00 -2.63 4.92 0.13 -1.90 -2.23 132.00 138.30 3i9h h PRO 70 Ca -0.13 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.79 3i9h h PRO 70 Cb 1.04 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.85 3i9h h PRO 70 CO 0.45 0.08 -0.52 -0.46 -0.23 0.00 0.00 178.00 177.33 3i9h s TRP 71 N -4.21 -0.50 -0.25 1.56 -0.11 -1.26 -0.96 118.94 113.22 3i9h s TRP 71 Ca -0.03 0.89 0.28 0.00 1.22 0.00 0.00 56.10 58.46 3i9h s TRP 71 Cb 0.13 -0.04 1.14 0.00 -1.50 0.00 0.00 33.47 33.20 3i9h s TRP 71 CO 0.56 -0.46 1.82 -0.39 -4.62 0.00 0.00 176.95 173.87 3i9h h VAL 72 N 6.26 0.00 0.00 5.86 -1.51 -1.46 -3.49 116.25 121.92 3i9h h VAL 72 Ca -0.15 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3i9h h VAL 72 Cb 1.12 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 3i9h h VAL 72 CO 0.18 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.13 3i9h n GLY 73 N 0.03 2.90 0.28 5.19 0.00 -1.26 -4.56 105.19 107.76 3i9h n GLY 73 Ca 0.02 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 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 0.81 -0.48 1.61 2.35 -1.95 0.11 115.58 118.03 3i9h h ASN 74 Ca 0.00 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 3i9h h ASN 74 Cb 0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3i9h h ASN 74 CO 0.00 0.62 0.12 0.44 -1.65 0.00 0.00 177.43 176.96 3i9h h ASP 75 N 0.94 0.72 1.39 5.81 3.32 -2.04 -3.24 116.42 123.32 3i9h h ASP 75 Ca 0.25 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3i9h h ASP 75 Cb -0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3i9h h ASP 75 CO -0.05 0.77 -0.63 0.00 -1.72 0.00 0.00 179.24 177.61 3i9h h ALA 76 N 0.98 0.73 -2.34 3.45 0.00 -1.76 -3.46 119.26 116.86 3i9h h ALA 76 Ca 0.15 -0.29 -0.58 0.00 0.00 0.00 0.00 54.91 54.19 3i9h h ALA 76 Cb 0.33 0.03 0.08 0.00 0.00 0.00 0.00 17.79 18.22 3i9h h ALA 76 CO 0.00 0.35 0.64 -1.71 0.00 0.00 0.00 179.25 178.54 3i9h n ASN 77 N -3.01 2.83 -3.47 0.00 5.15 0.35 -2.25 115.26 114.86 3i9h n ASN 77 Ca 0.00 1.14 -0.25 0.00 -0.60 0.00 0.00 54.58 54.86 3i9h n ASN 77 Cb 0.65 -1.43 0.02 0.00 -0.53 0.00 0.00 39.78 38.49 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 2.25 -4.92 0.00 1.20 8.00 -0.98 -4.87 116.55 117.24 3i9h n ASP 78 Ca 0.12 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3i9h n ASP 78 Cb 0.31 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 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 -4.22 2.98 -1.68 -1.24 4.76 -0.96 -4.40 118.16 113.42 3i9h n LYS 79 Ca -0.02 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.99 3i9h n LYS 79 Cb 0.56 -0.75 -0.03 0.00 -1.84 0.00 0.00 35.03 32.96 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 -1.20 2.67 0.00 1.97 1.56 -1.26 -4.41 117.12 116.46 3i9h n MET 80 Ca 0.00 0.97 0.00 0.00 -0.27 0.00 0.00 57.70 58.40 3i9h n MET 80 Cb 0.00 -2.87 0.00 0.00 2.15 0.00 0.00 33.22 32.50 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 4.93 0.00 -3.98 1.12 -1.04 -0.67 -1.83 114.28 112.81 3i9h n THR 81 Ca 0.19 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.12 3i9h n THR 81 Cb 0.36 -0.77 -0.09 0.00 -1.82 0.00 0.00 70.33 68.01 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 -2.81 0.30 -0.15 8.00 1.04 -1.20 -2.23 113.70 116.66 3i9h s SER 82 Ca 0.00 -0.77 -0.24 0.00 0.48 0.00 0.00 55.95 55.42 3i9h s SER 82 Cb 0.00 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.42 3i9h s SER 82 CO 0.00 -0.61 0.60 0.54 0.98 0.00 0.00 173.24 174.75 3i9h s VAL 83 N -3.54 0.01 -0.15 5.02 0.11 -0.53 -0.51 120.40 120.81 3i9h s VAL 83 Ca 0.03 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 3i9h s VAL 83 Cb 0.04 -0.87 -0.00 0.00 -1.53 0.00 0.00 36.38 34.02 3i9h s VAL 83 CO -0.09 -0.03 -0.16 -0.54 -3.33 0.00 0.00 175.10 170.95 3i9h s LYS 84 N -0.37 3.20 -0.18 1.54 1.02 -0.32 -0.95 119.74 123.68 3i9h s LYS 84 Ca -0.05 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.16 3i9h s LYS 84 Cb -0.03 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 3i9h s LYS 84 CO 0.04 0.04 -0.10 0.42 -0.92 0.00 0.00 175.35 174.84 3i9h s ILE 85 N 0.74 3.09 0.09 2.17 1.01 -0.14 -0.88 121.20 127.28 3i9h s ILE 85 Ca -0.07 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.07 3i9h s ILE 85 Cb -0.16 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3i9h s ILE 85 CO 0.01 0.48 -0.25 -0.31 0.00 0.00 0.00 174.94 174.87 3i9h s TYR 86 N 0.96 2.36 -0.47 3.97 1.51 -0.15 -1.52 117.35 124.01 3i9h s TYR 86 Ca -0.01 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 3i9h s TYR 86 Cb -0.15 -1.33 0.54 0.00 -0.11 0.00 0.00 41.96 40.92 3i9h s TYR 86 CO -0.01 0.26 1.38 -1.13 -1.11 0.00 0.00 175.55 174.94 3i9h n SER 87 N 1.26 4.11 0.00 2.29 3.41 -1.26 -1.37 113.62 122.06 3i9h n SER 87 Ca -0.17 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 3i9h n SER 87 Cb 0.53 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3i9h n SER 87 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23