#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfd n LEU 10 N 0.00 2.76 -3.41 0.00 7.94 -1.18 -4.87 117.00 118.24 3kfd n LEU 10 Ca 0.00 0.77 -0.17 0.00 -1.11 0.00 0.00 56.01 55.50 3kfd n LEU 10 Cb 0.00 -1.32 -0.10 0.00 0.53 0.00 0.00 43.42 42.53 3kfd n LEU 10 CO 0.00 -2.28 -0.18 -1.58 -1.11 0.00 0.00 177.39 172.24 3kfd s GLN 11 N -2.56 0.31 0.57 1.96 0.74 -1.26 -1.66 119.66 117.75 3kfd s GLN 11 Ca 0.74 -0.10 0.05 0.00 0.05 0.00 0.00 55.36 56.10 3kfd s GLN 11 Cb -0.42 -0.71 0.07 0.00 1.10 0.00 0.00 33.01 33.05 3kfd s GLN 11 CO 0.49 -0.99 0.79 0.00 -0.55 0.00 0.00 175.29 175.03 3kfd s PHE 13 N -2.73 3.77 -0.00 0.00 2.19 -1.26 -1.55 117.98 118.39 3kfd s PHE 13 Ca 0.60 1.30 0.00 0.00 0.33 0.00 0.00 56.93 59.17 3kfd s PHE 13 Cb -0.08 -2.53 0.00 0.00 -1.31 0.00 0.00 43.02 39.11 3kfd s PHE 13 CO 0.39 0.52 0.00 0.00 1.83 0.00 0.00 175.22 177.96 3kfd h HIS 15 N 6.28 0.00 0.00 0.00 3.86 -1.74 -3.36 115.15 120.19 3kfd h HIS 15 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 3kfd h HIS 15 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 3kfd h HIS 15 CO 0.42 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.49 3kfd n LEU 16 N -4.73 0.00 -3.41 2.43 4.77 -1.26 -3.89 117.00 110.90 3kfd n LEU 16 Ca -0.01 0.49 -0.40 0.00 -0.03 0.00 0.00 56.01 56.06 3kfd n LEU 16 Cb 0.05 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 3kfd n LEU 16 CO 0.02 -0.42 3.21 0.00 -1.33 0.00 0.00 177.39 178.88 3kfd n THR 18 N 3.86 0.00 0.22 0.00 -2.24 -1.25 -1.25 114.28 113.62 3kfd n THR 18 Ca 0.72 0.70 0.00 0.00 -2.27 0.00 0.00 64.05 63.20 3kfd n THR 18 Cb 0.27 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 3kfd n THR 18 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kfd n LYS 19 N -0.28 0.61 -2.59 -0.78 4.01 -1.26 -3.35 118.16 114.51 3kfd n LYS 19 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 3kfd n LYS 19 Cb 0.00 -1.20 0.04 0.00 -0.51 0.00 0.00 35.03 33.36 3kfd n LYS 19 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kfd n ASP 20 N 1.12 2.55 0.00 4.39 9.92 -1.10 -4.94 116.55 128.49 3kfd n ASP 20 Ca 0.00 -2.65 0.00 0.00 -0.53 0.00 0.00 54.79 51.61 3kfd n ASP 20 Cb 0.30 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 3kfd n ASP 20 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3kfd n ASN 21 N -0.54 0.00 -1.12 -2.24 3.02 -1.21 -1.54 115.26 111.63 3kfd n ASN 21 Ca 0.18 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.59 3kfd n ASN 21 Cb 0.83 -1.47 -0.06 0.00 -0.61 0.00 0.00 39.78 38.48 3kfd n ASN 21 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3kfd n PHE 22 N -2.00 0.00 -4.30 3.10 0.99 -0.38 -5.00 117.46 109.87 3kfd n PHE 22 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.29 3kfd n PHE 22 Cb 0.00 -2.60 -0.10 0.00 -1.00 0.00 0.00 39.48 35.78 3kfd n PHE 22 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3kfd s THR 23 N -2.53 0.97 -0.01 4.37 -4.23 -0.59 -0.49 115.64 113.13 3kfd s THR 23 Ca 0.00 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 3kfd s THR 23 Cb 0.00 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.63 3kfd s THR 23 CO 0.00 -0.42 0.20 0.00 -0.54 0.00 0.00 174.62 173.86 3kfd s VAL 25 N -1.23 4.81 0.35 0.00 -7.23 -1.26 -0.12 120.40 115.71 3kfd s VAL 25 Ca -0.13 -0.21 0.09 0.00 -1.81 0.00 0.00 61.98 59.92 3kfd s VAL 25 Cb -0.06 -3.38 -0.05 0.00 0.56 0.00 0.00 36.38 33.45 3kfd s VAL 25 CO 0.02 0.15 0.06 0.28 -0.31 0.00 0.00 175.10 175.31 3kfd s THR 26 N 1.66 2.71 -1.96 5.32 -1.32 -0.66 -4.96 115.64 116.43 3kfd s THR 26 Ca 0.06 -1.87 0.18 0.00 -1.21 0.00 0.00 61.69 58.85 3kfd s THR 26 Cb -0.16 -2.87 0.06 0.00 -1.51 0.00 0.00 72.50 68.02 3kfd s THR 26 CO 0.07 -0.18 1.00 -0.90 -2.21 0.00 0.00 174.62 172.41 3kfd n ASP 27 N -1.03 2.11 0.00 8.08 3.85 -1.26 -3.13 116.55 125.16 3kfd n ASP 27 Ca -0.04 -1.55 0.00 0.00 -0.71 0.00 0.00 54.79 52.49 3kfd n ASP 27 Cb 0.62 0.27 0.00 0.00 -1.35 0.00 0.00 41.12 40.66 3kfd n ASP 27 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kfd n GLY 28 N 1.16 0.19 3.42 6.12 0.00 -1.25 -4.41 105.19 110.43 3kfd n GLY 28 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 3kfd n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kfd s LEU 29 N 0.00 0.82 0.14 0.99 1.43 -1.01 -4.87 118.68 116.17 3kfd s LEU 29 Ca 0.00 -1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 51.85 3kfd s LEU 29 Cb 0.00 1.19 -0.04 0.00 0.03 0.00 0.00 46.19 47.37 3kfd s LEU 29 CO 0.00 -1.08 0.31 0.00 0.23 0.00 0.00 176.35 175.82 3kfd s PHE 31 N -1.71 0.69 -0.03 0.00 5.36 -0.32 -2.80 117.98 119.16 3kfd s PHE 31 Ca 0.37 -0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 56.17 3kfd s PHE 31 Cb -0.12 -0.53 0.03 0.00 -0.34 0.00 0.00 43.02 42.06 3kfd s PHE 31 CO 0.28 -0.10 0.03 0.14 -1.46 0.00 0.00 175.22 174.11 3kfd s VAL 32 N 0.35 0.01 -0.06 3.12 -7.23 -1.10 -1.49 120.40 114.01 3kfd s VAL 32 Ca -0.05 0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.40 3kfd s VAL 32 Cb -0.09 -0.18 0.01 0.00 0.56 0.00 0.00 36.38 36.69 3kfd s VAL 32 CO 0.00 0.14 -0.12 -0.94 -0.31 0.00 0.00 175.10 173.87 3kfd s SER 33 N 1.49 1.73 -0.17 4.85 1.04 -0.97 -1.88 113.70 119.79 3kfd s SER 33 Ca -0.03 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 3kfd s SER 33 Cb -0.13 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 3kfd s SER 33 CO -0.03 0.04 -0.09 -0.69 0.98 0.00 0.00 173.24 173.45 3kfd s VAL 34 N 0.60 3.16 0.02 5.02 1.01 -0.97 -2.59 120.40 126.66 3kfd s VAL 34 Ca -0.13 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.32 3kfd s VAL 34 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3kfd s VAL 34 CO 0.03 0.48 -0.16 0.28 0.00 0.00 0.00 175.10 175.73 3kfd s THR 35 N 0.87 2.92 -0.15 3.92 -1.32 -0.38 -1.16 115.64 120.34 3kfd s THR 35 Ca -0.03 -1.07 -0.28 0.00 -1.21 0.00 0.00 61.69 59.10 3kfd s THR 35 Cb -0.15 -2.22 -0.01 0.00 -1.51 0.00 0.00 72.50 68.61 3kfd s THR 35 CO 0.00 0.38 0.95 -0.70 -2.21 0.00 0.00 174.62 173.05 3kfd s GLU 36 N -1.33 4.36 0.00 7.08 2.56 -1.02 -3.38 118.70 126.97 3kfd s GLU 36 Ca 0.14 1.26 0.00 0.00 0.00 0.00 0.00 54.97 56.38 3kfd s GLU 36 Cb -0.11 -3.57 0.00 0.00 2.00 0.00 0.00 34.13 32.46 3kfd s GLU 36 CO 0.05 -0.37 0.00 2.41 -0.56 0.00 0.00 175.26 176.79 3kfd n THR 37 N 4.73 0.00 -2.28 -1.70 -1.04 -1.26 -4.99 114.28 107.74 3kfd n THR 37 Ca 0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.04 3kfd n THR 37 Cb 0.48 -0.80 0.01 0.00 -1.82 0.00 0.00 70.33 68.20 3kfd n THR 37 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3kfd n THR 38 N 0.00 0.03 -3.68 12.58 -1.04 -1.26 -5.11 114.28 115.80 3kfd n THR 38 Ca 0.00 -0.47 -0.28 0.00 -2.04 0.00 0.00 64.05 61.27 3kfd n THR 38 Cb 0.00 0.72 -0.10 0.00 -1.82 0.00 0.00 70.33 69.13 3kfd n THR 38 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kfd n VAL 41 N -0.57 1.99 -2.85 12.58 0.31 -1.26 -5.34 118.33 123.18 3kfd n VAL 41 Ca -0.22 -5.04 -0.42 0.00 -0.01 0.00 0.00 64.34 58.65 3kfd n VAL 41 Cb 0.78 -2.15 -0.04 0.00 -0.91 0.00 0.00 33.84 31.53 3kfd n VAL 41 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kfd s ILE 42 N -1.95 4.85 -0.20 2.52 1.01 -1.22 -4.95 121.20 121.27 3kfd s ILE 42 Ca 0.32 1.71 -0.04 0.00 0.00 0.00 0.00 60.65 62.63 3kfd s ILE 42 Cb 0.05 -4.17 0.10 0.00 0.01 0.00 0.00 42.46 38.45 3kfd s ILE 42 CO -0.10 0.01 0.33 -1.38 0.00 0.00 0.00 174.94 173.80 3kfd s HIS 43 N 2.23 -0.61 0.21 3.97 -3.43 -1.26 -1.25 115.29 115.15 3kfd s HIS 43 Ca 0.40 0.91 0.06 0.00 -0.80 0.00 0.00 55.06 55.63 3kfd s HIS 43 Cb -0.17 -0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 30.94 3kfd s HIS 43 CO 0.12 -0.55 0.14 0.54 -2.00 0.00 0.00 174.74 172.99 3kfd s ASN 44 N 2.49 5.37 0.11 7.38 4.22 -1.07 -4.92 114.94 128.53 3kfd s ASN 44 Ca 0.05 -0.24 0.06 0.00 -2.14 0.00 0.00 52.86 50.60 3kfd s ASN 44 Cb -0.14 -1.34 -0.04 0.00 1.28 0.00 0.00 41.25 41.02 3kfd s ASN 44 CO -0.12 0.02 -0.16 -0.94 -2.04 0.00 0.00 177.10 173.86 3kfd s SER 45 N -3.43 2.11 0.28 3.54 1.04 -1.26 -2.29 113.70 113.69 3kfd s SER 45 Ca 0.31 -0.75 -0.16 0.00 0.48 0.00 0.00 55.95 55.83 3kfd s SER 45 Cb -0.09 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.96 3kfd s SER 45 CO 0.23 -0.08 0.61 0.00 0.98 0.00 0.00 173.24 174.98 3kfd s MET 46 N -2.36 1.75 -0.12 4.02 0.23 -0.55 -2.73 119.30 119.54 3kfd s MET 46 Ca 0.07 -1.21 -0.02 0.00 -1.03 0.00 0.00 55.69 53.50 3kfd s MET 46 Cb -0.07 0.54 -0.03 0.00 -1.53 0.00 0.00 34.83 33.75 3kfd s MET 46 CO 0.04 -0.77 -0.05 0.00 -2.03 0.00 0.00 175.02 172.20 3kfd s ILE 48 N -0.09 2.06 0.72 0.00 -4.36 -0.97 -5.01 121.20 113.55 3kfd s ILE 48 Ca 0.02 -1.43 -0.16 0.00 -0.26 0.00 0.00 60.65 58.82 3kfd s ILE 48 Cb -0.13 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.47 3kfd s ILE 48 CO 0.03 0.09 1.06 0.00 0.24 0.00 0.00 174.94 176.35 3kfd n ALA 49 N 4.50 0.04 -0.11 2.27 0.00 -1.26 -2.41 120.51 123.54 3kfd n ALA 49 Ca -0.15 -0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.13 3kfd n ALA 49 Cb 0.44 -2.17 0.31 0.00 0.00 0.00 0.00 19.45 18.03 3kfd n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kfd h GLU 50 N -0.20 0.76 -0.09 0.00 4.81 -1.90 -0.73 114.58 117.24 3kfd h GLU 50 Ca -0.48 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 58.71 3kfd h GLU 50 Cb 1.33 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 3kfd h GLU 50 CO 0.48 0.55 0.24 0.97 -0.73 0.00 0.00 179.01 180.52 3kfd h ILE 51 N 0.78 0.16 -0.46 2.32 -0.00 -1.94 0.41 117.51 118.77 3kfd h ILE 51 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.06 3kfd h ILE 51 Cb -0.01 0.78 0.00 0.00 -0.00 0.00 0.00 36.82 37.59 3kfd h ILE 51 CO -0.04 0.00 0.00 0.47 -0.00 0.00 0.00 178.15 178.58 3kfd n ASP 52 N -3.25 3.78 -4.56 2.19 8.00 -0.29 -4.84 116.55 117.58 3kfd n ASP 52 Ca -0.00 -2.35 -0.43 0.00 0.71 0.00 0.00 54.79 52.72 3kfd n ASP 52 Cb 0.33 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 3kfd n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kfd s LEU 53 N -1.63 3.98 -0.24 0.64 1.43 0.14 -4.95 118.68 118.04 3kfd s LEU 53 Ca 0.38 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 3kfd s LEU 53 Cb 0.24 -3.20 0.07 0.00 0.03 0.00 0.00 46.19 43.34 3kfd s LEU 53 CO 0.19 -1.09 0.04 -0.63 0.23 0.00 0.00 176.35 175.09 3kfd s ILE 54 N 3.85 0.87 0.40 -0.59 -1.09 -1.26 -3.17 121.20 120.21 3kfd s ILE 54 Ca 0.37 -1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 57.76 3kfd s ILE 54 Cb -0.10 -1.43 -0.04 0.00 -1.58 0.00 0.00 42.46 39.32 3kfd s ILE 54 CO 0.26 -0.35 0.67 -2.84 -1.23 0.00 0.00 174.94 171.45 3kfd s PRO 55 N 1.67 3.55 0.20 2.79 0.02 -1.22 -2.25 135.00 139.75 3kfd s PRO 55 Ca 0.02 0.01 -0.12 0.00 0.02 0.00 0.00 61.00 60.92 3kfd s PRO 55 Cb -0.18 -2.51 0.23 0.00 0.02 0.00 0.00 34.50 32.07 3kfd s PRO 55 CO -0.13 -0.02 1.69 0.00 -0.33 0.00 0.00 177.00 178.21 3kfd h ARG 56 N 0.67 0.16 -0.88 5.54 -0.00 -1.91 0.44 114.38 118.41 3kfd h ARG 56 Ca -0.48 -0.01 0.03 0.00 -0.50 0.00 0.00 59.98 59.02 3kfd h ARG 56 Cb 1.21 -0.04 -0.05 0.00 0.00 0.00 0.00 29.97 31.09 3kfd h ARG 56 CO 0.62 0.11 0.58 -0.44 0.00 0.00 0.00 179.97 180.84 3kfd h ASP 57 N 0.17 0.95 -1.73 7.04 3.32 -1.98 -3.35 116.42 120.83 3kfd h ASP 57 Ca 0.28 -0.01 -0.37 0.00 0.02 0.00 0.00 57.03 56.95 3kfd h ASP 57 Cb 0.42 -0.22 -0.28 0.00 0.22 0.00 0.00 39.33 39.47 3kfd h ASP 57 CO -0.42 0.65 -0.72 -0.60 -1.72 0.00 0.00 179.24 176.43 3kfd s ARG 58 N -5.93 0.91 0.14 3.56 3.52 -0.78 -5.13 118.95 115.24 3kfd s ARG 58 Ca -0.12 -1.41 -0.31 0.00 -0.13 0.00 0.00 55.73 53.76 3kfd s ARG 58 Cb 0.19 -0.72 -0.10 0.00 -1.56 0.00 0.00 34.95 32.75 3kfd s ARG 58 CO 0.80 -1.32 1.70 -1.25 -0.81 0.00 0.00 175.30 174.41 3kfd s PRO 59 N 0.70 4.17 0.59 5.12 0.04 0.15 -3.46 135.00 142.30 3kfd s PRO 59 Ca 0.28 2.47 0.38 0.00 0.04 0.00 0.00 61.00 64.17 3kfd s PRO 59 Cb -0.02 -3.38 1.76 0.00 0.04 0.00 0.00 34.50 32.90 3kfd s PRO 59 CO -0.10 -0.74 2.12 0.27 0.04 0.00 0.00 177.00 178.59 3kfd h PHE 60 N 7.70 0.00 0.00 0.56 -5.15 -1.71 -1.87 116.94 116.47 3kfd h PHE 60 Ca -0.44 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.29 3kfd h PHE 60 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.37 3kfd h PHE 60 CO 0.72 0.00 -0.20 0.28 -2.00 0.00 0.00 178.31 177.11 3kfd h VAL 61 N 0.00 0.70 -0.01 0.88 2.07 -1.89 -2.67 116.25 115.33 3kfd h VAL 61 Ca 0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3kfd h VAL 61 Cb 0.32 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3kfd h VAL 61 CO 0.00 0.20 -0.58 0.00 0.02 0.00 0.00 177.57 177.21 3kfd s ALA 63 N -2.61 4.47 0.54 0.00 0.00 -1.01 -4.61 121.76 118.54 3kfd s ALA 63 Ca 0.16 -3.74 -0.18 0.00 0.00 0.00 0.00 51.96 48.20 3kfd s ALA 63 Cb 0.18 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.84 3kfd s ALA 63 CO 0.64 -2.20 0.34 -0.35 0.00 0.00 0.00 175.76 174.19 3kfd n PRO 64 N 2.85 0.36 -0.36 0.00 -0.04 -1.26 -4.94 135.00 131.61 3kfd n PRO 64 Ca 0.21 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3kfd n PRO 64 Cb 0.40 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3kfd n PRO 64 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kfd n SER 65 N 1.14 0.00 -4.79 3.54 3.41 -1.26 -5.04 113.62 110.62 3kfd n SER 65 Ca 0.11 -0.40 -0.30 0.00 -0.26 0.00 0.00 58.87 58.01 3kfd n SER 65 Cb 0.47 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.51 3kfd n SER 65 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kfd s SER 66 N -1.00 4.44 -0.63 4.04 0.01 -1.26 -4.69 113.70 114.62 3kfd s SER 66 Ca 0.00 1.36 -0.26 0.00 1.31 0.00 0.00 55.95 58.36 3kfd s SER 66 Cb 0.00 -2.10 -0.24 0.00 0.21 0.00 0.00 66.02 63.89 3kfd s SER 66 CO 0.00 -2.01 1.84 0.52 0.41 0.00 0.00 173.24 174.01 3kfd n VAL 71 N -3.46 0.85 -4.31 3.43 0.31 -1.26 -5.05 118.33 108.83 3kfd n VAL 71 Ca 0.07 -0.80 -0.17 0.00 -0.01 0.00 0.00 64.34 63.44 3kfd n VAL 71 Cb 0.56 -2.12 -0.10 0.00 -0.91 0.00 0.00 33.84 31.27 3kfd n VAL 71 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3kfd s THR 72 N 9.12 1.22 -0.34 2.52 -1.32 -1.26 -2.43 115.64 123.15 3kfd s THR 72 Ca 0.68 -2.07 0.01 0.00 -1.21 0.00 0.00 61.69 59.09 3kfd s THR 72 Cb 0.08 -2.14 0.14 0.00 -1.51 0.00 0.00 72.50 69.07 3kfd s THR 72 CO 0.22 -0.50 0.28 0.42 -2.21 0.00 0.00 174.62 172.82 3kfd s THR 73 N -3.30 -0.18 0.18 5.08 -4.23 -0.31 -4.97 115.64 107.91 3kfd s THR 73 Ca 0.24 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.72 3kfd s THR 73 Cb 0.04 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 3kfd s THR 73 CO 0.06 -0.70 0.16 0.42 -0.54 0.00 0.00 174.62 174.02 3kfd s THR 74 N 1.59 4.57 -0.07 3.99 -4.23 -1.26 -2.29 115.64 117.94 3kfd s THR 74 Ca 0.15 -1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 59.27 3kfd s THR 74 Cb -0.17 -3.36 0.10 0.00 1.34 0.00 0.00 72.50 70.41 3kfd s THR 74 CO -0.12 -0.14 0.85 -0.72 -0.54 0.00 0.00 174.62 173.95 3kfd s TYR 75 N -1.80 -0.46 0.21 3.99 -0.85 -0.79 -4.65 117.35 113.00 3kfd s TYR 75 Ca 0.32 0.67 0.07 0.00 -0.52 0.00 0.00 57.07 57.61 3kfd s TYR 75 Cb -0.10 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 3kfd s TYR 75 CO 0.24 -0.50 0.06 0.00 -1.52 0.00 0.00 175.55 173.83 3kfd n ASN 78 N 0.68 2.20 -4.19 0.00 6.94 -1.26 -1.62 115.26 118.01 3kfd n ASN 78 Ca -0.19 -3.85 -0.27 0.00 -0.02 0.00 0.00 54.58 50.25 3kfd n ASN 78 Cb 0.59 -0.59 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 3kfd n ASN 78 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3kfd s GLN 79 N -3.26 1.76 0.04 -3.83 -0.21 -1.26 -5.02 119.66 107.88 3kfd s GLN 79 Ca 0.42 -0.69 -0.37 0.00 0.02 0.00 0.00 55.36 54.73 3kfd s GLN 79 Cb 0.39 -1.61 -0.19 0.00 1.00 0.00 0.00 33.01 32.60 3kfd s GLN 79 CO -0.03 0.36 0.95 -0.25 -2.12 0.00 0.00 175.29 174.20 3kfd n ASP 80 N 2.81 -0.25 -4.08 5.90 9.92 -1.26 -1.69 116.55 127.91 3kfd n ASP 80 Ca -0.16 1.14 -0.29 0.00 -0.53 0.00 0.00 54.79 54.95 3kfd n ASP 80 Cb 0.53 -0.91 -0.03 0.00 -0.64 0.00 0.00 41.12 40.06 3kfd n ASP 80 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3kfd n HIS 81 N 1.19 -1.61 0.52 1.24 8.25 -0.59 -4.84 115.22 119.38 3kfd n HIS 81 Ca 0.19 0.74 0.11 0.00 -0.26 0.00 0.00 57.72 58.50 3kfd n HIS 81 Cb 0.11 -3.40 0.27 0.00 1.12 0.00 0.00 29.99 28.09 3kfd n HIS 81 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kfd n ASN 83 N 1.11 5.14 0.00 0.00 4.13 -1.26 -4.94 115.26 119.43 3kfd n ASN 83 Ca 0.18 -2.32 0.00 0.00 1.68 0.00 0.00 54.58 54.13 3kfd n ASN 83 Cb 0.50 -1.16 0.00 0.00 -1.54 0.00 0.00 39.78 37.58 3kfd n ASN 83 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71