#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f4v s VAL 2 N 0.00 4.77 -0.14 1.12 0.11 -1.26 -1.21 120.40 123.79 2f4v s VAL 2 Ca 0.00 0.64 -0.05 0.00 -2.93 0.00 0.00 61.98 59.64 2f4v s VAL 2 Cb 0.00 -3.74 0.07 0.00 -1.53 0.00 0.00 36.38 31.18 2f4v s VAL 2 CO 0.00 -0.57 0.30 -0.54 -3.33 0.00 0.00 175.10 170.97 2f4v s LYS 3 N -3.95 0.20 0.12 1.54 1.02 -0.16 -2.55 119.74 115.96 2f4v s LYS 3 Ca 0.52 0.79 -0.31 0.00 0.02 0.00 0.00 55.97 56.98 2f4v s LYS 3 Cb -0.10 0.04 -0.08 0.00 -0.52 0.00 0.00 37.83 37.16 2f4v s LYS 3 CO 0.33 -0.26 1.40 0.42 -0.92 0.00 0.00 175.35 176.32 2f4v s ILE 4 N 2.29 3.26 -0.69 2.17 1.01 -1.16 -1.71 121.20 126.37 2f4v s ILE 4 Ca -0.01 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.54 2f4v s ILE 4 Cb -0.12 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.78 2f4v s ILE 4 CO -0.10 0.07 0.00 -2.11 0.00 0.00 0.00 174.94 172.80 2f4v n ARG 5 N 3.97 -2.57 -3.21 2.79 0.00 0.58 -1.01 116.66 117.20 2f4v n ARG 5 Ca 0.12 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.73 2f4v n ARG 5 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.87 2f4v n ARG 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2f4v s LEU 6 N 0.00 3.89 -0.18 2.89 1.02 -1.26 -1.72 118.68 123.32 2f4v s LEU 6 Ca 0.00 0.46 -0.16 0.00 0.02 0.00 0.00 54.13 54.45 2f4v s LEU 6 Cb 0.00 -3.34 0.05 0.00 0.02 0.00 0.00 46.19 42.92 2f4v s LEU 6 CO 0.00 -0.41 0.48 0.00 0.02 0.00 0.00 176.35 176.43 2f4v s ALA 7 N -2.41 -1.18 -0.13 4.21 0.00 -1.03 -4.87 121.76 116.34 2f4v s ALA 7 Ca 0.43 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.63 2f4v s ALA 7 Cb -0.10 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 2f4v s ALA 7 CO 0.37 -0.23 0.26 1.03 0.00 0.00 0.00 175.76 177.20 2f4v s ARG 8 N 0.33 4.03 0.00 0.00 1.81 -1.26 -0.84 118.95 123.01 2f4v s ARG 8 Ca -0.01 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.07 2f4v s ARG 8 Cb -0.04 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.12 2f4v s ARG 8 CO -0.00 0.43 0.00 1.19 -0.68 0.00 0.00 175.30 176.24 2f4v n PHE 9 N 2.96 0.00 0.00 -0.53 3.72 -0.83 -4.96 117.46 117.82 2f4v n PHE 9 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2f4v n PHE 9 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2f4v n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f4v n GLY 10 N 0.00 -1.44 3.56 1.37 0.00 -1.20 -4.76 105.19 102.72 2f4v n GLY 10 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2f4v n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f4v s SER 11 N -1.59 -0.43 0.06 1.61 0.01 0.11 -4.87 113.70 108.60 2f4v s SER 11 Ca 0.00 -0.17 -0.18 0.00 1.31 0.00 0.00 55.95 56.91 2f4v s SER 11 Cb 0.00 0.57 -0.10 0.00 0.21 0.00 0.00 66.02 66.71 2f4v s SER 11 CO 0.00 -0.97 0.41 1.17 0.41 0.00 0.00 173.24 174.25 2f4v n LYS 12 N -0.38 0.00 -0.65 12.44 4.81 -1.26 0.33 118.16 133.45 2f4v n LYS 12 Ca -0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.30 2f4v n LYS 12 Cb 0.63 -0.65 -0.01 0.00 0.02 0.00 0.00 35.03 35.01 2f4v n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2f4v n HIS 13 N 0.34 -0.39 -3.17 5.64 8.25 -1.26 -4.81 115.22 119.82 2f4v n HIS 13 Ca 0.10 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.35 2f4v n HIS 13 Cb 0.10 -1.14 -0.05 0.00 1.12 0.00 0.00 29.99 30.01 2f4v n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2f4v n ASN 14 N 1.38 0.22 -4.76 0.41 5.15 1.00 -5.12 115.26 113.54 2f4v n ASN 14 Ca -0.02 -2.81 -0.39 0.00 -0.60 0.00 0.00 54.58 50.76 2f4v n ASN 14 Cb 0.12 -0.52 0.01 0.00 -0.53 0.00 0.00 39.78 38.86 2f4v n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2f4v s PRO 15 N -1.44 3.61 0.09 1.20 0.04 -1.24 0.04 135.00 137.31 2f4v s PRO 15 Ca 0.36 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.65 2f4v s PRO 15 Cb 0.22 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2f4v s PRO 15 CO -0.11 -0.79 -0.20 -1.01 0.04 0.00 0.00 177.00 174.93 2f4v s HIS 16 N -1.31 1.72 0.45 0.56 3.76 -1.26 -4.67 115.29 114.54 2f4v s HIS 16 Ca 0.63 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 55.20 2f4v s HIS 16 Cb -0.38 -0.96 -0.01 0.00 1.11 0.00 0.00 32.58 32.33 2f4v s HIS 16 CO 0.48 0.17 0.33 0.71 -0.85 0.00 0.00 174.74 175.58 2f4v s TYR 17 N -1.11 2.38 -0.23 1.40 1.51 0.52 -1.97 117.35 119.85 2f4v s TYR 17 Ca 0.06 -0.62 -0.03 0.00 -1.01 0.00 0.00 57.07 55.47 2f4v s TYR 17 Cb -0.10 -2.04 0.08 0.00 -0.11 0.00 0.00 41.96 39.79 2f4v s TYR 17 CO 0.04 -0.13 0.08 1.03 -1.11 0.00 0.00 175.55 175.45 2f4v s ARG 18 N -4.11 0.47 0.49 -0.62 0.52 -0.02 -2.51 118.95 113.17 2f4v s ARG 18 Ca 0.42 -0.52 -0.22 0.00 -0.52 0.00 0.00 55.73 54.89 2f4v s ARG 18 Cb -0.01 -1.84 -0.08 0.00 0.52 0.00 0.00 34.95 33.54 2f4v s ARG 18 CO 0.24 -0.79 1.05 -0.89 0.02 0.00 0.00 175.30 174.93 2f4v n ILE 19 N 5.09 2.95 -3.56 1.52 -0.00 0.51 -2.46 119.36 123.40 2f4v n ILE 19 Ca -0.07 -0.50 -0.12 0.00 -0.00 0.00 0.00 62.75 62.06 2f4v n ILE 19 Cb 0.45 -1.25 -0.05 0.00 -0.00 0.00 0.00 39.64 38.79 2f4v n ILE 19 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 2f4v s VAL 20 N -1.35 0.00 -0.04 1.39 1.01 -0.70 -2.99 120.40 117.71 2f4v s VAL 20 Ca 0.68 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 2f4v s VAL 20 Cb -0.49 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2f4v s VAL 20 CO 0.53 0.00 0.18 -0.69 0.00 0.00 0.00 175.10 175.12 2f4v s VAL 21 N -1.11 5.45 0.28 2.92 1.01 -0.14 -0.31 120.40 128.50 2f4v s VAL 21 Ca -0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 2f4v s VAL 21 Cb -0.00 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2f4v s VAL 21 CO 0.04 0.43 0.62 0.28 0.00 0.00 0.00 175.10 176.46 2f4v s THR 22 N -1.22 0.00 0.20 3.92 -1.32 -0.70 -1.39 115.64 115.13 2f4v s THR 22 Ca 0.23 -1.19 -0.30 0.00 -1.21 0.00 0.00 61.69 59.22 2f4v s THR 22 Cb -0.12 -2.20 -0.08 0.00 -1.51 0.00 0.00 72.50 68.59 2f4v s THR 22 CO 0.14 0.00 0.95 -0.62 -2.21 0.00 0.00 174.62 172.87 2f4v s ASP 23 N -2.99 7.60 0.18 8.08 -1.08 -1.26 -0.99 116.67 126.21 2f4v s ASP 23 Ca 0.17 1.90 -0.26 0.00 -0.52 0.00 0.00 52.55 53.84 2f4v s ASP 23 Cb -0.03 -2.60 0.04 0.00 -1.46 0.00 0.00 42.92 38.86 2f4v s ASP 23 CO 0.09 0.09 1.55 0.00 0.52 0.00 0.00 175.17 177.41 2f4v h ALA 24 N 4.60 -0.31 -0.29 3.66 0.00 -1.47 -1.82 119.26 123.63 2f4v h ALA 24 Ca -0.44 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.66 2f4v h ALA 24 Cb 1.20 1.20 -0.07 0.00 0.00 0.00 0.00 17.79 20.12 2f4v h ALA 24 CO 0.69 -0.85 -0.48 0.00 0.00 0.00 0.00 179.25 178.62 2f4v h ARG 25 N -0.06 -0.37 -4.41 0.00 3.08 -1.93 -3.45 114.38 107.24 2f4v h ARG 25 Ca 0.22 0.03 -0.50 0.00 0.07 0.00 0.00 59.98 59.79 2f4v h ARG 25 Cb 0.50 0.08 0.08 0.00 0.08 0.00 0.00 29.97 30.71 2f4v h ARG 25 CO -0.90 -0.25 -0.37 0.54 -1.07 0.00 0.00 179.97 177.92 2f4v n ARG 26 N -5.00 0.00 -0.84 0.04 5.12 -0.69 -4.80 116.66 110.49 2f4v n ARG 26 Ca -0.04 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.55 2f4v n ARG 26 Cb 0.30 -0.75 0.10 0.00 -1.16 0.00 0.00 32.46 30.95 2f4v n ARG 26 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2f4v n LYS 27 N 0.75 -0.33 -0.06 5.56 5.02 -1.26 -4.83 118.16 123.01 2f4v n LYS 27 Ca 0.13 -0.07 -0.06 0.00 -2.02 0.00 0.00 58.31 56.30 2f4v n LYS 27 Cb 0.18 -1.60 0.13 0.00 -0.02 0.00 0.00 35.03 33.72 2f4v n LYS 27 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2f4v h ARG 28 N -1.45 0.69 -0.37 1.97 0.11 -1.94 -3.23 114.38 110.15 2f4v h ARG 28 Ca -0.44 -0.26 0.00 0.00 0.10 0.00 0.00 59.98 59.38 2f4v h ARG 28 Cb 1.30 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2f4v h ARG 28 CO 0.31 0.84 0.00 -0.25 0.10 0.00 0.00 179.97 180.97 2f4v n ASP 29 N -4.13 3.23 -0.77 0.08 10.43 -1.26 -4.63 116.55 119.49 2f4v n ASP 29 Ca 0.00 -2.18 0.00 0.00 2.57 0.00 0.00 54.79 55.19 2f4v n ASP 29 Cb 0.40 -0.31 0.00 0.00 1.84 0.00 0.00 41.12 43.05 2f4v n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f4v n GLY 30 N 0.46 6.38 3.64 0.44 0.00 -1.22 -4.90 105.19 109.99 2f4v n GLY 30 Ca 0.15 -2.08 -0.54 0.00 0.00 0.00 0.00 46.02 43.55 2f4v n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2f4v n LYS 31 N 0.00 1.26 -3.40 1.61 4.81 -1.26 -4.89 118.16 116.28 2f4v n LYS 31 Ca 0.00 0.46 -0.21 0.00 -0.87 0.00 0.00 58.31 57.69 2f4v n LYS 31 Cb 0.00 -2.13 -0.01 0.00 0.02 0.00 0.00 35.03 32.91 2f4v n LYS 31 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2f4v n TYR 32 N 3.85 -0.56 0.22 5.64 4.11 -1.26 -4.77 117.16 124.40 2f4v n TYR 32 Ca 0.22 -1.81 0.07 0.00 -0.00 0.00 0.00 57.90 56.37 2f4v n TYR 32 Cb 0.18 -0.33 -0.09 0.00 -0.00 0.00 0.00 39.34 39.09 2f4v n TYR 32 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 2f4v n ILE 33 N -1.42 0.00 -3.65 -3.48 5.41 -0.49 -4.97 119.36 110.76 2f4v n ILE 33 Ca -0.04 -0.27 -0.02 0.00 1.00 0.00 0.00 62.75 63.43 2f4v n ILE 33 Cb 0.48 0.49 -0.06 0.00 -0.71 0.00 0.00 39.64 39.84 2f4v n ILE 33 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2f4v s GLU 34 N -2.67 0.31 0.12 0.38 2.12 -1.23 -4.96 118.70 112.77 2f4v s GLU 34 Ca -0.01 0.53 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 2f4v s GLU 34 Cb 0.09 0.07 -0.06 0.00 0.26 0.00 0.00 34.13 34.49 2f4v s GLU 34 CO 0.55 -0.06 1.03 0.21 -0.54 0.00 0.00 175.26 176.44 2f4v s LYS 35 N 1.21 4.63 0.00 4.30 2.20 -1.26 -0.97 119.74 129.85 2f4v s LYS 35 Ca -0.08 1.57 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 2f4v s LYS 35 Cb -0.03 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2f4v s LYS 35 CO -0.13 0.10 0.13 0.44 -0.36 0.00 0.00 175.35 175.53 2f4v n ILE 36 N 2.84 0.01 -3.60 5.43 -5.35 -1.16 -4.96 119.36 112.57 2f4v n ILE 36 Ca 0.03 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2f4v n ILE 36 Cb 0.48 1.75 -0.01 0.00 -1.74 0.00 0.00 39.64 40.12 2f4v n ILE 36 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2f4v s GLY 37 N -0.01 -0.35 0.30 3.28 0.00 -1.21 -3.22 107.32 106.11 2f4v s GLY 37 Ca 0.00 1.39 0.09 0.00 0.00 0.00 0.00 44.72 46.20 2f4v s GLY 37 CO 0.00 0.40 0.01 -2.52 0.00 0.00 0.00 173.10 170.99 2f4v s TYR 38 N -2.12 2.64 0.01 1.90 -0.85 -1.07 -0.37 117.35 117.50 2f4v s TYR 38 Ca 0.13 -0.30 0.01 0.00 -0.52 0.00 0.00 57.07 56.38 2f4v s TYR 38 Cb 0.03 -1.32 -0.01 0.00 0.38 0.00 0.00 41.96 41.04 2f4v s TYR 38 CO -0.04 0.55 -0.03 -0.47 -1.52 0.00 0.00 175.55 174.04 2f4v s TYR 39 N -2.40 0.24 -0.12 -3.49 5.04 -1.04 -3.03 117.35 112.55 2f4v s TYR 39 Ca 0.33 -0.25 -0.00 0.00 -2.44 0.00 0.00 57.07 54.71 2f4v s TYR 39 Cb -0.04 -0.16 0.02 0.00 0.35 0.00 0.00 41.96 42.13 2f4v s TYR 39 CO 0.20 -0.07 -0.10 0.34 -1.34 0.00 0.00 175.55 174.57 2f4v s ASP 40 N -0.70 2.35 0.04 4.32 3.68 -0.37 -0.36 116.67 125.64 2f4v s ASP 40 Ca -0.06 -0.37 -0.20 0.00 2.13 0.00 0.00 52.55 54.05 2f4v s ASP 40 Cb -0.05 -0.96 -0.14 0.00 -1.45 0.00 0.00 42.92 40.32 2f4v s ASP 40 CO -0.00 -0.09 1.35 -0.65 0.13 0.00 0.00 175.17 175.90 2f4v h PRO 41 N 8.08 0.38 0.00 4.34 0.11 -1.86 -3.02 132.00 140.03 2f4v h PRO 41 Ca -0.33 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2f4v h PRO 41 Cb 1.14 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2f4v h PRO 41 CO 0.45 0.76 0.00 2.89 -0.21 0.00 0.00 178.00 181.90 2f4v n ARG 42 N -4.53 0.63 -3.96 1.05 0.00 -1.26 -4.89 116.66 103.69 2f4v n ARG 42 Ca -0.06 0.02 -0.34 0.00 -0.00 0.00 0.00 57.85 57.47 2f4v n ARG 42 Cb 0.37 -1.50 0.01 0.00 -0.00 0.00 0.00 32.46 31.35 2f4v n ARG 42 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2f4v n LYS 43 N -1.05 -0.47 0.00 2.89 4.01 -1.14 -4.83 118.16 117.57 2f4v n LYS 43 Ca 0.16 -0.06 0.12 0.00 -0.51 0.00 0.00 58.31 58.01 2f4v n LYS 43 Cb 0.09 -1.51 0.29 0.00 -0.51 0.00 0.00 35.03 33.39 2f4v n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2f4v n THR 44 N -3.84 0.00 -4.91 -0.18 -2.24 -1.26 -4.81 114.28 97.03 2f4v n THR 44 Ca -0.09 -0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 2f4v n THR 44 Cb 0.41 0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.81 2f4v n THR 44 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2f4v s THR 45 N -2.83 2.53 -0.32 4.28 -1.32 -1.26 -4.98 115.64 111.74 2f4v s THR 45 Ca 0.15 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 2f4v s THR 45 Cb 0.18 -1.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.18 2f4v s THR 45 CO 0.64 0.45 0.48 -2.65 -2.21 0.00 0.00 174.62 171.33 2f4v n PRO 46 N 1.96 0.00 -2.48 7.08 -0.02 -1.26 -2.61 135.00 137.67 2f4v n PRO 46 Ca -0.16 0.09 -0.16 0.00 -2.02 0.00 0.00 63.50 61.24 2f4v n PRO 46 Cb 0.52 -1.77 0.02 0.00 -0.02 0.00 0.00 33.50 32.25 2f4v n PRO 46 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2f4v n ASP 47 N -0.98 3.31 -0.16 2.55 4.64 -1.26 -4.91 116.55 119.74 2f4v n ASP 47 Ca 0.00 -3.11 0.00 0.00 -1.38 0.00 0.00 54.79 50.30 2f4v n ASP 47 Cb 0.27 -0.45 0.00 0.00 -1.04 0.00 0.00 41.12 39.90 2f4v n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 2f4v n TRP 48 N -0.47 0.00 -3.58 -0.67 4.27 -1.07 -4.44 117.44 111.48 2f4v n TRP 48 Ca 0.26 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.85 2f4v n TRP 48 Cb 0.81 -0.03 -0.05 0.00 -1.36 0.00 0.00 31.31 30.68 2f4v n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2f4v s LEU 49 N -0.68 -0.83 0.16 5.67 2.96 -1.26 -1.24 118.68 123.47 2f4v s LEU 49 Ca 0.00 1.20 0.03 0.00 -0.22 0.00 0.00 54.13 55.14 2f4v s LEU 49 Cb 0.00 2.04 -0.05 0.00 0.50 0.00 0.00 46.19 48.68 2f4v s LEU 49 CO 0.00 -0.18 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.08 2f4v s LYS 50 N 2.20 1.09 -0.16 1.98 2.20 -1.17 -5.04 119.74 120.84 2f4v s LYS 50 Ca -0.07 -1.51 0.06 0.00 -0.36 0.00 0.00 55.97 54.09 2f4v s LYS 50 Cb -0.07 -0.37 0.18 0.00 -1.51 0.00 0.00 37.83 36.06 2f4v s LYS 50 CO -0.18 -0.07 0.98 1.33 -0.36 0.00 0.00 175.35 177.04 2f4v n VAL 51 N -0.23 0.00 -0.02 4.02 0.24 -1.26 -2.58 118.33 118.49 2f4v n VAL 51 Ca -0.08 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 2f4v n VAL 51 Cb 0.62 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 2f4v n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2f4v n ASP 52 N -0.68 0.00 0.11 -1.34 4.64 -1.20 -4.70 116.55 113.39 2f4v n ASP 52 Ca -0.09 0.00 -0.13 0.00 -1.38 0.00 0.00 54.79 53.19 2f4v n ASP 52 Cb 0.67 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.67 2f4v n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2f4v h VAL 53 N 0.38 0.88 -0.85 5.18 -1.51 -1.93 -2.71 116.25 115.68 2f4v h VAL 53 Ca 0.00 -0.29 0.35 0.00 -1.23 0.00 0.00 66.70 65.53 2f4v h VAL 53 Cb 0.00 1.06 -0.15 0.00 -2.13 0.00 0.00 31.29 30.07 2f4v h VAL 53 CO 0.00 0.07 0.44 1.21 -1.23 0.00 0.00 177.57 178.06 2f4v n GLU 54 N -5.13 -0.05 -0.13 5.19 4.07 -1.26 -1.04 120.64 122.28 2f4v n GLU 54 Ca -0.09 1.18 -0.25 0.00 -0.06 0.00 0.00 57.16 57.94 2f4v n GLU 54 Cb 0.17 -2.10 -0.11 0.00 -0.06 0.00 0.00 31.44 29.34 2f4v n GLU 54 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2f4v n ARG 55 N -4.94 0.62 -0.36 5.31 5.12 -1.05 -1.55 116.66 119.81 2f4v n ARG 55 Ca 0.32 0.21 0.01 0.00 -1.93 0.00 0.00 57.85 56.46 2f4v n ARG 55 Cb 1.08 -1.51 0.07 0.00 -1.16 0.00 0.00 32.46 30.94 2f4v n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2f4v h ALA 56 N -0.56 0.30 -0.20 7.54 0.00 -1.36 0.23 119.26 125.21 2f4v h ALA 56 Ca -0.65 0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.60 2f4v h ALA 56 Cb 1.74 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 20.40 2f4v h ALA 56 CO -0.28 -0.55 -0.06 0.00 0.00 0.00 0.00 179.25 178.36 2f4v h ARG 57 N -0.01 -0.02 -0.20 0.00 3.08 -1.09 -2.17 114.38 113.98 2f4v h ARG 57 Ca 0.38 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.46 2f4v h ARG 57 Cb 0.63 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 2f4v h ARG 57 CO -0.97 -0.01 -0.42 -0.92 -1.07 0.00 0.00 179.97 176.57 2f4v h TYR 58 N -0.02 -1.27 -0.76 3.04 5.03 0.18 -1.41 116.97 121.77 2f4v h TYR 58 Ca 0.10 0.05 0.13 0.00 2.58 0.00 0.00 58.73 61.59 2f4v h TYR 58 Cb 0.17 0.58 -0.05 0.00 1.55 0.00 0.00 36.73 38.97 2f4v h TYR 58 CO -0.23 -0.40 0.50 -1.49 -1.32 0.00 0.00 178.16 175.23 2f4v h TRP 59 N -0.38 0.61 -0.47 -3.82 -0.00 -0.07 1.45 115.95 113.27 2f4v h TRP 59 Ca 0.04 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.91 2f4v h TRP 59 Cb 0.49 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.43 2f4v h TRP 59 CO -0.62 0.26 0.15 -0.07 -0.00 0.00 0.00 178.44 178.16 2f4v h LEU 60 N 0.54 0.63 0.00 -4.49 3.38 -0.96 -1.18 115.31 113.24 2f4v h LEU 60 Ca 0.37 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2f4v h LEU 60 Cb 0.67 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2f4v h LEU 60 CO -0.13 0.60 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 2f4v n SER 61 N -4.33 0.00 -0.25 -0.43 3.41 0.50 -1.40 113.62 111.11 2f4v n SER 61 Ca 0.03 -0.11 0.03 0.00 -0.26 0.00 0.00 58.87 58.56 2f4v n SER 61 Cb 0.18 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.04 2f4v n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2f4v n VAL 62 N -1.12 0.57 -2.42 -3.33 0.24 -0.61 -5.05 118.33 106.61 2f4v n VAL 62 Ca 0.06 -0.67 -0.06 0.00 -2.04 0.00 0.00 64.34 61.63 2f4v n VAL 62 Cb 0.05 0.40 0.03 0.00 -1.47 0.00 0.00 33.84 32.86 2f4v n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2f4v n GLY 63 N -0.41 0.11 3.74 7.63 0.00 -0.49 -5.00 105.19 110.77 2f4v n GLY 63 Ca 0.04 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2f4v n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f4v s ALA 64 N -3.15 2.57 -0.25 4.61 0.00 -1.00 -4.40 121.76 120.15 2f4v s ALA 64 Ca 0.07 1.19 -0.06 0.00 0.00 0.00 0.00 51.96 53.16 2f4v s ALA 64 Cb -0.01 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 2f4v s ALA 64 CO 0.29 -1.39 0.03 -0.65 0.00 0.00 0.00 175.76 174.04 2f4v s GLN 65 N -3.20 3.45 0.32 0.00 1.11 -1.06 -4.74 119.66 115.54 2f4v s GLN 65 Ca 0.77 -0.60 -0.29 0.00 0.01 0.00 0.00 55.36 55.25 2f4v s GLN 65 Cb -0.36 -3.21 -0.11 0.00 -1.01 0.00 0.00 33.01 28.32 2f4v s GLN 65 CO 0.40 -0.23 1.58 -1.25 0.01 0.00 0.00 175.29 175.80 2f4v s PRO 66 N 1.54 4.10 0.75 2.91 0.04 -1.26 -2.99 135.00 140.10 2f4v s PRO 66 Ca 0.05 2.60 -0.10 0.00 0.04 0.00 0.00 61.00 63.60 2f4v s PRO 66 Cb -0.15 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2f4v s PRO 66 CO 0.01 -0.63 -0.26 2.41 0.04 0.00 0.00 177.00 178.57 2f4v n THR 67 N 1.70 0.00 -0.07 1.26 -1.04 -0.18 -4.61 114.28 111.34 2f4v n THR 67 Ca 0.06 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 2f4v n THR 67 Cb 0.38 -0.14 -0.07 0.00 -1.82 0.00 0.00 70.33 68.68 2f4v n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2f4v h ASP 68 N -1.95 0.00 -0.19 8.00 3.32 -1.96 -2.67 116.42 120.98 2f4v h ASP 68 Ca -0.16 -0.45 0.05 0.00 0.02 0.00 0.00 57.03 56.50 2f4v h ASP 68 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2f4v h ASP 68 CO 0.09 0.97 0.84 0.74 -1.72 0.00 0.00 179.24 180.17 2f4v h THR 69 N -1.00 0.02 0.00 0.35 2.02 -1.99 -0.57 112.91 111.74 2f4v h THR 69 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2f4v h THR 69 Cb 0.76 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2f4v h THR 69 CO -0.06 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.83 2f4v n ALA 70 N -1.76 0.00 0.00 6.16 0.00 -1.15 -2.27 120.51 121.49 2f4v n ALA 70 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2f4v n ALA 70 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 2f4v n ALA 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2f4v n ARG 71 N -0.58 0.00 0.10 0.00 0.63 -1.02 0.20 116.66 116.00 2f4v n ARG 71 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 2f4v n ARG 71 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2f4v n ARG 71 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2f4v h ARG 72 N 0.00 -0.32 -0.01 -0.14 2.43 -1.06 0.23 114.38 115.52 2f4v h ARG 72 Ca 0.00 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2f4v h ARG 72 Cb 0.00 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2f4v h ARG 72 CO 0.00 -0.02 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.09 2f4v h LEU 73 N -0.98 0.01 0.38 3.80 3.38 0.45 -1.21 115.31 121.13 2f4v h LEU 73 Ca -0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2f4v h LEU 73 Cb 0.45 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2f4v h LEU 73 CO 0.06 0.29 -0.38 -0.07 0.09 0.00 0.00 178.44 178.43 2f4v h LEU 74 N 0.01 -1.02 0.04 1.67 -0.00 0.24 -3.26 115.31 112.97 2f4v h LEU 74 Ca -0.00 0.09 0.02 0.00 -0.00 0.00 0.00 57.88 57.98 2f4v h LEU 74 Cb 0.50 0.34 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2f4v h LEU 74 CO 0.04 -0.52 -0.14 -0.09 -0.00 0.00 0.00 178.44 177.73 2f4v h ARG 75 N -0.78 -0.24 -0.97 1.13 2.43 0.37 -2.77 114.38 113.56 2f4v h ARG 75 Ca -0.03 0.02 0.28 0.00 -0.81 0.00 0.00 59.98 59.44 2f4v h ARG 75 Cb 0.70 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 2f4v h ARG 75 CO -0.07 -0.16 0.69 0.37 -1.51 0.00 0.00 179.97 179.30 2f4v h GLN 76 N -0.25 0.02 -0.71 0.20 4.15 -1.30 4.36 115.11 121.58 2f4v h GLN 76 Ca 0.04 -0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.26 2f4v h GLN 76 Cb 0.29 -0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.86 2f4v h GLN 76 CO -0.11 0.01 0.24 0.00 -1.93 0.00 0.00 178.83 177.04 2f4v n ALA 77 N -2.72 4.49 -3.20 3.38 0.00 -1.07 -4.91 120.51 116.49 2f4v n ALA 77 Ca 0.20 -2.34 -0.23 0.00 0.00 0.00 0.00 53.44 51.07 2f4v n ALA 77 Cb 1.02 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 19.30 2f4v n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f4v n GLY 78 N -0.13 -0.53 0.16 0.00 0.00 1.43 -4.76 105.19 101.37 2f4v n GLY 78 Ca 0.39 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.63 2f4v n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2f4v n VAL 79 N -4.66 0.46 -0.03 1.61 0.31 -1.07 -3.44 118.33 111.52 2f4v n VAL 79 Ca -0.08 0.74 -0.05 0.00 -0.01 0.00 0.00 64.34 64.94 2f4v n VAL 79 Cb 0.60 -1.74 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 2f4v n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2f4v n PHE 80 N -1.95 0.00 -1.70 3.52 3.01 -1.26 -4.84 117.46 114.25 2f4v n PHE 80 Ca -0.01 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.02 2f4v n PHE 80 Cb 0.43 -0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 2f4v n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2f4v n ARG 81 N -3.06 2.57 -0.01 -1.08 0.63 -1.22 -4.93 116.66 109.55 2f4v n ARG 81 Ca -0.10 0.93 0.01 0.00 -0.92 0.00 0.00 57.85 57.77 2f4v n ARG 81 Cb 0.58 -2.76 0.01 0.00 0.45 0.00 0.00 32.46 30.74 2f4v n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2f4v n GLN 82 N 4.17 0.89 0.00 -0.14 10.64 -1.26 -5.08 117.38 126.60 2f4v n GLN 82 Ca 0.17 -1.02 0.00 0.00 -1.83 0.00 0.00 57.00 54.32 2f4v n GLN 82 Cb 0.33 -1.03 0.00 0.00 -0.86 0.00 0.00 30.24 28.68 2f4v n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62