#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6v s LYS 6 N 0.00 1.39 -0.01 -0.67 -2.85 -1.26 -1.34 119.74 115.00 1l6v s LYS 6 Ca 0.00 -1.67 -0.00 0.00 -1.00 0.00 0.00 55.97 53.29 1l6v s LYS 6 Cb 0.00 -0.97 0.01 0.00 -2.06 0.00 0.00 37.83 34.81 1l6v s LYS 6 CO 0.00 0.05 0.02 0.96 0.10 0.00 0.00 175.35 176.48 1l6v s ILE 7 N -3.13 -0.02 0.40 3.79 -4.36 0.11 -4.82 121.20 113.18 1l6v s ILE 7 Ca 0.26 0.06 -0.15 0.00 -0.26 0.00 0.00 60.65 60.56 1l6v s ILE 7 Cb 0.03 -0.04 -0.08 0.00 1.25 0.00 0.00 42.46 43.61 1l6v s ILE 7 CO 0.09 0.02 0.83 -0.89 0.24 0.00 0.00 174.94 175.23 1l6v s THR 8 N 0.30 4.64 0.06 8.37 2.01 -1.26 0.21 115.64 129.96 1l6v s THR 8 Ca -0.02 0.99 -0.09 0.00 0.31 0.00 0.00 61.69 62.87 1l6v s THR 8 Cb -0.04 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1l6v s THR 8 CO -0.01 -0.41 0.20 -0.69 -0.69 0.00 0.00 174.62 173.03 1l6v s VAL 9 N -2.26 0.12 -0.13 3.82 1.01 0.60 0.17 120.40 123.73 1l6v s VAL 9 Ca 0.55 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1l6v s VAL 9 Cb -0.10 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1l6v s VAL 9 CO 0.24 -0.53 -0.17 -2.28 0.00 0.00 0.00 175.10 172.35 1l6v s HIS 10 N -2.97 2.25 -0.62 5.22 5.65 0.26 -0.79 115.29 124.28 1l6v s HIS 10 Ca -0.02 -1.16 -0.03 0.00 0.25 0.00 0.00 55.06 54.10 1l6v s HIS 10 Cb 0.01 -1.60 0.16 0.00 -1.18 0.00 0.00 32.58 29.97 1l6v s HIS 10 CO -0.06 -0.59 0.44 -0.06 -0.65 0.00 0.00 174.74 173.82 1l6v s PHE 11 N 1.09 3.42 -0.03 3.88 0.08 -1.25 0.18 117.98 125.36 1l6v s PHE 11 Ca -0.03 -2.69 -0.30 0.00 0.12 0.00 0.00 56.93 54.04 1l6v s PHE 11 Cb -0.14 -3.21 -0.07 0.00 -0.57 0.00 0.00 43.02 39.02 1l6v s PHE 11 CO -0.05 -0.85 1.93 0.42 -0.10 0.00 0.00 175.22 176.57 1l6v s ILE 12 N -0.01 3.15 0.95 0.64 1.01 0.76 -2.60 121.20 125.10 1l6v s ILE 12 Ca 0.17 0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 1l6v s ILE 12 Cb -0.20 -3.13 0.16 0.00 0.01 0.00 0.00 42.46 39.30 1l6v s ILE 12 CO -0.04 -0.03 1.09 0.21 0.00 0.00 0.00 174.94 176.18 1l6v s ASN 13 N 4.81 3.01 0.47 3.58 2.47 -1.26 -3.38 114.94 124.65 1l6v s ASN 13 Ca 0.87 1.34 0.23 0.00 0.42 0.00 0.00 52.86 55.72 1l6v s ASN 13 Cb -0.39 -2.01 1.25 0.00 -1.45 0.00 0.00 41.25 38.64 1l6v s ASN 13 CO 0.38 -2.91 1.89 0.03 -3.72 0.00 0.00 177.10 172.78 1l6v h ARG 14 N -1.74 0.22 0.06 0.43 3.08 -1.92 0.13 114.38 114.63 1l6v h ARG 14 Ca -0.52 -0.01 -0.32 0.00 0.07 0.00 0.00 59.98 59.20 1l6v h ARG 14 Cb 1.31 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1l6v h ARG 14 CO 0.56 0.14 -1.76 0.38 -1.07 0.00 0.00 179.97 178.22 1l6v h ASP 15 N 0.23 0.19 0.00 7.04 3.04 -1.97 -3.48 116.42 121.46 1l6v h ASP 15 Ca 0.41 -0.39 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 1l6v h ASP 15 Cb 1.27 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1l6v h ASP 15 CO -0.09 1.34 0.00 0.61 -2.04 0.00 0.00 179.24 179.06 1l6v n GLY 16 N 1.71 1.26 3.40 7.15 0.00 0.44 -5.03 105.19 114.11 1l6v n GLY 16 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1l6v n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l6v n GLU 17 N 0.00 1.31 -0.70 1.61 1.02 -1.26 -4.52 120.64 118.10 1l6v n GLU 17 Ca 0.00 -2.06 -0.28 0.00 -0.02 0.00 0.00 57.16 54.81 1l6v n GLU 17 Cb 0.00 -3.35 -0.04 0.00 -0.02 0.00 0.00 31.44 28.04 1l6v n GLU 17 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1l6v n THR 18 N 7.18 0.00 -0.10 2.62 -1.04 -1.26 -4.20 114.28 117.47 1l6v n THR 18 Ca 0.47 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.29 1l6v n THR 18 Cb 0.44 -0.09 -0.08 0.00 -1.82 0.00 0.00 70.33 68.78 1l6v n THR 18 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1l6v n LEU 19 N 1.10 1.88 -1.59 -4.42 7.99 -1.07 -4.95 117.00 115.93 1l6v n LEU 19 Ca 0.11 0.44 0.00 0.00 -0.01 0.00 0.00 56.01 56.55 1l6v n LEU 19 Cb 0.01 -0.88 0.00 0.00 -0.11 0.00 0.00 43.42 42.44 1l6v n LEU 19 CO 0.32 0.11 -0.42 0.41 -1.51 0.00 0.00 177.39 176.30 1l6v n THR 20 N -4.44 -5.10 -3.58 -5.08 -1.04 -1.26 -4.90 114.28 88.88 1l6v n THR 20 Ca -0.30 2.29 -0.14 0.00 -2.04 0.00 0.00 64.05 63.86 1l6v n THR 20 Cb 0.61 -3.12 -0.05 0.00 -1.82 0.00 0.00 70.33 65.95 1l6v n THR 20 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1l6v s THR 21 N -2.10 0.03 -0.25 12.58 -1.32 0.03 -4.91 115.64 119.70 1l6v s THR 21 Ca 0.00 -0.26 -0.10 0.00 -1.21 0.00 0.00 61.69 60.12 1l6v s THR 21 Cb 0.00 -0.97 -0.05 0.00 -1.51 0.00 0.00 72.50 69.98 1l6v s THR 21 CO 0.00 -0.15 0.15 -1.59 -2.21 0.00 0.00 174.62 170.83 1l6v s LYS 22 N -2.41 3.95 0.49 7.08 0.00 -1.26 -0.29 119.74 127.29 1l6v s LYS 22 Ca -0.05 -0.33 0.08 0.00 0.00 0.00 0.00 55.97 55.67 1l6v s LYS 22 Cb -0.01 -3.53 0.04 0.00 0.00 0.00 0.00 37.83 34.33 1l6v s LYS 22 CO -0.01 -0.06 0.60 0.20 0.00 0.00 0.00 175.35 176.08 1l6v s GLY 23 N 1.38 1.94 -0.02 0.59 0.00 0.57 -4.89 107.32 106.89 1l6v s GLY 23 Ca 0.07 -1.84 0.06 0.00 0.00 0.00 0.00 44.72 43.01 1l6v s GLY 23 CO 0.07 -1.64 -0.20 0.54 0.00 0.00 0.00 173.10 171.87 1l6v s LYS 24 N -4.42 2.25 -0.28 2.90 -0.14 -1.26 0.10 119.74 118.89 1l6v s LYS 24 Ca 0.54 -0.85 -0.28 0.00 -1.36 0.00 0.00 55.97 54.02 1l6v s LYS 24 Cb -0.07 -2.19 -0.03 0.00 -1.68 0.00 0.00 37.83 33.87 1l6v s LYS 24 CO 0.33 0.58 1.84 -1.50 -0.76 0.00 0.00 175.35 175.84 1l6v s ILE 25 N -0.70 3.43 0.00 2.17 2.07 -0.45 -1.31 121.20 126.41 1l6v s ILE 25 Ca 0.11 0.45 0.00 0.00 -1.41 0.00 0.00 60.65 59.80 1l6v s ILE 25 Cb -0.10 -3.54 0.00 0.00 0.13 0.00 0.00 42.46 38.95 1l6v s ILE 25 CO 0.00 -0.32 0.00 0.61 -1.91 0.00 0.00 174.94 173.33 1l6v n GLY 26 N 5.31 1.04 3.12 1.50 0.00 -1.25 -4.79 105.19 110.12 1l6v n GLY 26 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1l6v n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1l6v n ASP 27 N 0.00 -3.34 -1.69 1.61 5.75 -0.43 -4.58 116.55 113.88 1l6v n ASP 27 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1l6v n ASP 27 Cb 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.35 1l6v n ASP 27 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1l6v n SER 28 N 1.64 1.86 -4.16 -1.12 3.41 -1.26 -3.45 113.62 110.55 1l6v n SER 28 Ca -0.00 -0.84 -0.55 0.00 -0.26 0.00 0.00 58.87 57.21 1l6v n SER 28 Cb 0.66 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 1l6v n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1l6v n LEU 29 N 0.00 0.10 0.00 1.04 -0.00 -1.25 -4.02 117.00 112.87 1l6v n LEU 29 Ca 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 56.01 57.08 1l6v n LEU 29 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 1l6v n LEU 29 CO 0.00 -1.66 0.00 0.18 -0.00 0.00 0.00 177.39 175.91 1l6v n LEU 30 N 1.60 0.00 0.00 1.47 7.99 -1.04 -4.69 117.00 122.33 1l6v n LEU 30 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 1l6v n LEU 30 Cb 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1l6v n LEU 30 CO 0.59 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.80 1l6v n ASP 31 N 4.34 0.00 -0.27 -1.43 -0.08 -1.26 -4.16 116.55 113.70 1l6v n ASP 31 Ca 0.00 0.00 0.24 0.00 -1.51 0.00 0.00 54.79 53.52 1l6v n ASP 31 Cb 0.00 0.00 0.43 0.00 2.34 0.00 0.00 41.12 43.89 1l6v n ASP 31 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1l6v n VAL 32 N 0.00 -0.23 0.47 5.18 0.31 -1.26 0.33 118.33 123.12 1l6v n VAL 32 Ca 0.00 1.32 -0.18 0.00 -0.01 0.00 0.00 64.34 65.46 1l6v n VAL 32 Cb 0.00 -2.15 -0.09 0.00 -0.91 0.00 0.00 33.84 30.70 1l6v n VAL 32 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1l6v h VAL 33 N 0.00 0.00 0.10 2.52 2.07 -1.95 -2.65 116.25 116.35 1l6v h VAL 33 Ca 0.59 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.99 1l6v h VAL 33 Cb 1.72 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1l6v h VAL 33 CO -0.43 0.00 -0.05 0.58 0.02 0.00 0.00 177.57 177.69 1l6v h VAL 34 N -1.31 0.94 -1.02 2.57 2.07 0.23 2.05 116.25 121.78 1l6v h VAL 34 Ca -0.12 -1.35 0.34 0.00 0.82 0.00 0.00 66.70 66.39 1l6v h VAL 34 Cb 0.92 1.64 -0.09 0.00 -1.52 0.00 0.00 31.29 32.24 1l6v h VAL 34 CO 0.20 0.27 0.68 0.00 0.02 0.00 0.00 177.57 178.74 1l6v n GLN 35 N -4.84 -0.02 -0.04 1.57 -0.00 1.01 0.20 117.38 115.26 1l6v n GLN 35 Ca -0.07 0.85 -0.02 0.00 -0.00 0.00 0.00 57.00 57.75 1l6v n GLN 35 Cb 0.27 -1.71 -0.08 0.00 -0.00 0.00 0.00 30.24 28.72 1l6v n GLN 35 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1l6v n ASN 36 N -3.94 2.65 0.00 2.61 2.85 -1.00 -5.00 115.26 113.43 1l6v n ASN 36 Ca 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1l6v n ASN 36 Cb 1.14 0.92 0.00 0.00 1.24 0.00 0.00 39.78 43.07 1l6v n ASN 36 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1l6v n ASN 37 N -2.23 -2.63 -4.05 1.20 5.15 0.66 -5.00 115.26 108.36 1l6v n ASN 37 Ca -0.12 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.50 1l6v n ASN 37 Cb 0.68 -0.44 0.05 0.00 -0.53 0.00 0.00 39.78 39.54 1l6v n ASN 37 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1l6v n LEU 38 N 0.00 -5.43 -3.56 1.20 7.94 0.94 -4.84 117.00 113.25 1l6v n LEU 38 Ca 0.00 0.21 -0.38 0.00 -1.11 0.00 0.00 56.01 54.73 1l6v n LEU 38 Cb 0.00 -0.81 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1l6v n LEU 38 CO 0.00 -5.79 1.08 -0.67 -1.11 0.00 0.00 177.39 170.90 1l6v n ASP 39 N 3.01 6.51 -4.46 1.96 -0.08 -1.26 -4.87 116.55 117.36 1l6v n ASP 39 Ca -0.01 -3.63 -0.44 0.00 -1.51 0.00 0.00 54.79 49.20 1l6v n ASP 39 Cb 0.56 -1.05 -0.01 0.00 2.34 0.00 0.00 41.12 42.95 1l6v n ASP 39 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1l6v s ILE 40 N -4.03 4.85 -0.36 5.18 -4.36 -1.26 -4.97 121.20 116.25 1l6v s ILE 40 Ca 0.40 -2.08 -0.41 0.00 -0.26 0.00 0.00 60.65 58.30 1l6v s ILE 40 Cb 0.18 -4.86 -0.16 0.00 1.25 0.00 0.00 42.46 38.88 1l6v s ILE 40 CO -0.09 -1.58 1.89 -0.67 0.24 0.00 0.00 174.94 174.74 1l6v n ASP 41 N 6.19 1.91 0.00 4.36 -0.08 -1.26 -0.93 116.55 126.73 1l6v n ASP 41 Ca 0.31 0.88 0.00 0.00 -1.51 0.00 0.00 54.79 54.47 1l6v n ASP 41 Cb 0.46 -1.09 0.00 0.00 2.34 0.00 0.00 41.12 42.83 1l6v n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1l6v n GLY 42 N 5.24 1.52 2.92 0.27 0.00 -1.26 -4.97 105.19 108.92 1l6v n GLY 42 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1l6v n GLY 42 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1l6v n PHE 43 N -1.27 -3.92 -1.50 1.61 -1.74 -0.11 -4.48 117.46 106.05 1l6v n PHE 43 Ca 0.00 0.18 -0.41 0.00 -0.56 0.00 0.00 57.45 56.65 1l6v n PHE 43 Cb 0.00 -1.45 -0.09 0.00 1.52 0.00 0.00 39.48 39.46 1l6v n PHE 43 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1l6v n GLY 44 N 2.86 -0.05 0.00 4.97 0.00 -1.25 -4.77 105.19 106.96 1l6v n GLY 44 Ca 0.02 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1l6v n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l6v n ALA 45 N 12.39 0.00 0.00 4.61 0.00 -1.26 0.80 120.51 137.05 1l6v n ALA 45 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1l6v n ALA 45 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1l6v n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6v n GLU 47 N 0.00 0.00 0.00 0.00 1.02 0.24 -4.99 120.64 116.91 1l6v n GLU 47 Ca 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1l6v n GLU 47 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1l6v n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1l6v n GLY 48 N -1.07 0.93 2.19 0.62 0.00 -1.24 -2.50 105.19 104.13 1l6v n GLY 48 Ca 0.00 -2.27 -0.08 0.00 0.00 0.00 0.00 46.02 43.67 1l6v n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l6v n THR 49 N -0.73 -0.75 0.00 2.61 -1.04 -1.26 -4.92 114.28 108.20 1l6v n THR 49 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1l6v n THR 49 Cb 0.00 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 1l6v n THR 49 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1l6v n LEU 50 N -1.64 0.00 -1.05 -4.42 7.94 -1.26 -5.01 117.00 111.57 1l6v n LEU 50 Ca -0.04 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.80 1l6v n LEU 50 Cb 0.54 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.43 1l6v n LEU 50 CO 0.17 0.00 0.35 0.00 -1.11 0.00 0.00 177.39 176.80 1l6v n ALA 51 N -3.00 3.57 -1.00 1.96 0.00 -1.26 -4.87 120.51 115.91 1l6v n ALA 51 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1l6v n ALA 51 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1l6v n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6v n SER 53 N 0.00 -0.29 -0.00 0.00 7.64 -1.26 -4.69 113.62 115.02 1l6v n SER 53 Ca 0.00 -0.61 0.05 0.00 1.01 0.00 0.00 58.87 59.31 1l6v n SER 53 Cb 0.00 0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 1l6v n SER 53 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1l6v n THR 54 N -0.03 0.00 0.46 0.44 -2.24 -1.26 -4.41 114.28 107.24 1l6v n THR 54 Ca -0.08 -0.26 0.05 0.00 -2.27 0.00 0.00 64.05 61.49 1l6v n THR 54 Cb 0.39 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 1l6v n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l6v n HIS 56 N -1.33 0.00 -0.87 0.00 -0.00 -1.26 -4.16 115.22 107.60 1l6v n HIS 56 Ca 0.02 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.30 1l6v n HIS 56 Cb 0.18 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.02 1l6v n HIS 56 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1l6v n LEU 57 N -0.76 -0.42 -4.42 0.27 4.32 -1.26 -4.12 117.00 110.61 1l6v n LEU 57 Ca 0.00 0.94 -0.41 0.00 -0.02 0.00 0.00 56.01 56.52 1l6v n LEU 57 Cb 0.00 -2.83 -0.11 0.00 -1.62 0.00 0.00 43.42 38.86 1l6v n LEU 57 CO 0.00 -2.00 -0.15 -0.63 -1.22 0.00 0.00 177.39 173.40 1l6v s ILE 58 N -2.15 4.78 -0.15 -0.08 1.01 0.31 -3.89 121.20 121.02 1l6v s ILE 58 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 1l6v s ILE 58 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1l6v s ILE 58 CO 0.00 -0.17 -0.09 -0.36 0.00 0.00 0.00 174.94 174.33 1l6v s PHE 59 N 1.61 2.91 0.38 3.97 0.40 0.76 -3.28 117.98 124.73 1l6v s PHE 59 Ca 0.03 -0.57 -0.20 0.00 -0.60 0.00 0.00 56.93 55.59 1l6v s PHE 59 Cb -0.19 -1.92 -0.15 0.00 0.51 0.00 0.00 43.02 41.27 1l6v s PHE 59 CO 0.08 -0.21 0.09 0.39 0.70 0.00 0.00 175.22 176.27 1l6v n GLU 60 N 3.73 0.00 0.08 0.44 1.02 -1.26 -2.98 120.64 121.67 1l6v n GLU 60 Ca -0.18 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.04 1l6v n GLU 60 Cb 0.52 -0.96 0.36 0.00 -0.02 0.00 0.00 31.44 31.35 1l6v n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l6v n GLN 61 N 1.27 0.09 0.00 3.49 10.64 -1.26 -0.84 117.38 130.78 1l6v n GLN 61 Ca 0.11 0.45 0.14 0.00 -1.83 0.00 0.00 57.00 55.86 1l6v n GLN 61 Cb 0.38 -1.72 0.72 0.00 -0.86 0.00 0.00 30.24 28.75 1l6v n GLN 61 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1l6v n HIS 62 N -1.90 0.00 0.00 2.61 -0.00 -1.26 -2.92 115.22 111.75 1l6v n HIS 62 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1l6v n HIS 62 Cb 0.12 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 29.73 1l6v n HIS 62 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1l6v n ILE 63 N -1.26 0.00 0.04 3.57 2.08 -0.02 -4.64 119.36 119.14 1l6v n ILE 63 Ca 0.14 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.42 1l6v n ILE 63 Cb 0.21 -1.22 -0.02 0.00 -0.75 0.00 0.00 39.64 37.87 1l6v n ILE 63 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1l6v h PHE 64 N 0.00 -0.22 -0.19 1.39 3.57 -1.21 -0.93 116.94 119.35 1l6v h PHE 64 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1l6v h PHE 64 Cb 0.82 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1l6v h PHE 64 CO 0.00 -0.10 0.62 1.05 -2.23 0.00 0.00 178.31 177.65 1l6v h GLU 65 N -0.15 0.00 -1.86 1.11 4.11 -1.77 0.16 114.58 116.17 1l6v h GLU 65 Ca -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.14 1l6v h GLU 65 Cb 0.13 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.28 1l6v h GLU 65 CO -0.01 0.00 0.14 1.63 0.07 0.00 0.00 179.01 180.83 1l6v n LYS 66 N -2.98 1.86 -3.14 1.06 5.02 -0.35 -4.45 118.16 115.18 1l6v n LYS 66 Ca 0.03 -1.34 -0.13 0.00 -2.02 0.00 0.00 58.31 54.85 1l6v n LYS 66 Cb 0.71 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 1l6v n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1l6v s LEU 67 N -1.13 -0.30 -1.40 -0.35 1.02 0.04 -4.96 118.68 111.60 1l6v s LEU 67 Ca 0.41 -1.98 -0.12 0.00 0.02 0.00 0.00 54.13 52.46 1l6v s LEU 67 Cb 0.25 0.90 0.08 0.00 0.02 0.00 0.00 46.19 47.45 1l6v s LEU 67 CO -0.06 -0.15 2.15 -0.62 0.02 0.00 0.00 176.35 177.69 1l6v n GLU 68 N 3.39 3.22 -3.71 1.70 1.02 -1.26 -4.84 120.64 120.16 1l6v n GLU 68 Ca 0.19 -2.93 -0.13 0.00 -0.02 0.00 0.00 57.16 54.27 1l6v n GLU 68 Cb 0.51 -3.12 -0.10 0.00 -0.02 0.00 0.00 31.44 28.72 1l6v n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l6v s ALA 69 N 2.02 -1.17 0.00 0.62 0.00 -1.26 -5.17 121.76 116.80 1l6v s ALA 69 Ca 0.46 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1l6v s ALA 69 Cb 0.13 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1l6v s ALA 69 CO -0.06 -0.24 0.00 1.51 0.00 0.00 0.00 175.76 176.98 1l6v n ILE 70 N 3.14 0.00 -4.09 0.00 0.13 -1.26 -4.97 119.36 112.31 1l6v n ILE 70 Ca -0.15 0.00 -0.28 0.00 -1.10 0.00 0.00 62.75 61.22 1l6v n ILE 70 Cb 0.57 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.34 1l6v n ILE 70 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 1l6v s THR 71 N -1.51 1.60 0.09 9.51 2.01 -1.26 -4.76 115.64 121.33 1l6v s THR 71 Ca 0.00 -1.61 -0.26 0.00 0.31 0.00 0.00 61.69 60.13 1l6v s THR 71 Cb 0.00 -2.22 -0.09 0.00 0.01 0.00 0.00 72.50 70.20 1l6v s THR 71 CO 0.00 0.00 1.42 -0.78 -0.69 0.00 0.00 174.62 174.57 1l6v h ASP 72 N 0.93 -1.37 -0.12 3.53 3.58 -2.03 0.44 116.42 121.38 1l6v h ASP 72 Ca -0.39 0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.17 1l6v h ASP 72 Cb 1.30 0.54 -0.04 0.00 1.72 0.00 0.00 39.33 42.86 1l6v h ASP 72 CO 0.62 -0.35 0.08 -0.62 -2.88 0.00 0.00 179.24 176.09 1l6v n GLU 73 N -4.75 1.16 -3.16 0.28 1.02 -1.26 -4.76 120.64 109.16 1l6v n GLU 73 Ca -0.04 -0.37 -0.21 0.00 -0.02 0.00 0.00 57.16 56.51 1l6v n GLU 73 Cb 0.28 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1l6v n GLU 73 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1l6v n GLU 74 N 0.32 -3.49 0.00 3.49 1.02 0.15 -4.89 120.64 117.24 1l6v n GLU 74 Ca 0.07 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1l6v n GLU 74 Cb 0.64 -5.29 0.00 0.00 -0.02 0.00 0.00 31.44 26.77 1l6v n GLU 74 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1l6v n ASN 75 N -2.26 0.00 -3.71 1.62 3.02 -1.26 -4.63 115.26 108.04 1l6v n ASN 75 Ca -0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.21 1l6v n ASN 75 Cb 0.57 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.76 1l6v n ASN 75 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1l6v n ASP 76 N -0.72 -5.29 -3.20 6.41 2.03 -1.26 -2.35 116.55 112.17 1l6v n ASP 76 Ca 0.00 -0.94 -0.15 0.00 0.52 0.00 0.00 54.79 54.22 1l6v n ASP 76 Cb 0.00 -2.80 0.08 0.00 -0.72 0.00 0.00 41.12 37.68 1l6v n ASP 76 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1l6v n MET 77 N -3.61 -4.82 0.00 -0.67 1.56 -1.24 -4.87 117.12 103.47 1l6v n MET 77 Ca -0.15 0.79 0.00 0.00 -0.27 0.00 0.00 57.70 58.07 1l6v n MET 77 Cb 0.60 -5.58 0.00 0.00 2.15 0.00 0.00 33.22 30.39 1l6v n MET 77 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1l6v n LEU 78 N -3.64 0.00 0.26 -0.89 -0.00 -0.99 -4.72 117.00 107.02 1l6v n LEU 78 Ca -0.20 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 55.90 1l6v n LEU 78 Cb 0.64 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 44.57 1l6v n LEU 78 CO 0.56 0.00 0.96 0.44 -0.00 0.00 0.00 177.39 179.35 1l6v h ASP 79 N 0.00 0.00 -0.60 1.96 5.19 -1.95 -2.60 116.42 118.42 1l6v h ASP 79 Ca 0.00 0.00 0.21 0.00 -0.62 0.00 0.00 57.03 56.62 1l6v h ASP 79 Cb 0.00 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.44 1l6v h ASP 79 CO 0.00 0.00 0.37 -0.11 -3.12 0.00 0.00 179.24 176.38 1l6v n LEU 80 N -2.45 0.11 -3.67 1.55 -0.00 -1.26 -3.60 117.00 107.67 1l6v n LEU 80 Ca -0.01 0.65 -0.08 0.00 -0.00 0.00 0.00 56.01 56.57 1l6v n LEU 80 Cb 0.44 -0.32 -0.09 0.00 -0.00 0.00 0.00 43.42 43.44 1l6v n LEU 80 CO 0.08 -0.71 0.07 0.00 -0.00 0.00 0.00 177.39 176.83 1l6v s ALA 81 N -4.41 -1.24 1.00 1.96 0.00 -0.98 -4.99 121.76 113.10 1l6v s ALA 81 Ca -0.03 1.64 -0.17 0.00 0.00 0.00 0.00 51.96 53.39 1l6v s ALA 81 Cb 0.14 -1.24 0.05 0.00 0.00 0.00 0.00 23.12 22.07 1l6v s ALA 81 CO 0.37 -0.59 -0.26 0.66 0.00 0.00 0.00 175.76 175.95 1l6v n TYR 82 N 4.97 -1.69 0.00 0.00 4.01 -1.24 -4.23 117.16 118.98 1l6v n TYR 82 Ca -0.14 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1l6v n TYR 82 Cb 0.52 -1.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.11 1l6v n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1l6v n GLY 83 N 2.61 0.77 3.57 2.72 0.00 -1.26 -4.79 105.19 108.80 1l6v n GLY 83 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1l6v n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l6v s LEU 84 N 0.00 2.79 0.00 0.99 1.43 -1.26 -4.66 118.68 117.97 1l6v s LEU 84 Ca 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1l6v s LEU 84 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1l6v s LEU 84 CO 0.00 -3.87 0.00 0.41 0.23 0.00 0.00 176.35 173.12 1l6v n THR 85 N 8.63 0.00 0.22 5.49 -1.04 -1.26 -5.01 114.28 121.31 1l6v n THR 85 Ca 0.44 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.50 1l6v n THR 85 Cb 0.45 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.90 1l6v n THR 85 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1l6v n ASP 86 N 0.00 1.62 -3.21 8.00 8.00 -1.26 -4.73 116.55 124.97 1l6v n ASP 86 Ca 0.00 -0.36 -0.24 0.00 0.71 0.00 0.00 54.79 54.90 1l6v n ASP 86 Cb 0.00 1.22 -0.07 0.00 -0.02 0.00 0.00 41.12 42.25 1l6v n ASP 86 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1l6v n ARG 87 N -1.53 0.95 -3.64 -1.24 0.00 -1.26 -3.99 116.66 105.95 1l6v n ARG 87 Ca -0.00 -3.40 -0.06 0.00 -0.00 0.00 0.00 57.85 54.39 1l6v n ARG 87 Cb 0.20 -1.37 -0.07 0.00 -0.00 0.00 0.00 32.46 31.22 1l6v n ARG 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1l6v s SER 88 N -1.45 -0.25 0.00 2.89 0.15 -1.16 0.27 113.70 114.15 1l6v s SER 88 Ca 0.36 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1l6v s SER 88 Cb 0.19 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1l6v s SER 88 CO -0.10 -0.09 0.00 -1.14 1.20 0.00 0.00 173.24 173.11 1l6v n ARG 89 N 1.81 0.00 -3.62 5.44 0.00 -1.25 -4.50 116.66 114.53 1l6v n ARG 89 Ca -0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.65 1l6v n ARG 89 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.96 1l6v n ARG 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1l6v s LEU 90 N 0.00 -0.37 0.00 6.15 0.20 -1.26 -4.50 118.68 118.90 1l6v s LEU 90 Ca 0.00 0.60 0.04 0.00 0.69 0.00 0.00 54.13 55.46 1l6v s LEU 90 Cb 0.00 1.77 0.07 0.00 -0.43 0.00 0.00 46.19 47.60 1l6v s LEU 90 CO 0.00 -0.20 0.96 0.61 -0.29 0.00 0.00 176.35 177.43 1l6v n GLY 91 N 1.57 0.64 0.15 7.98 0.00 -1.26 -4.87 105.19 109.41 1l6v n GLY 91 Ca -0.11 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1l6v n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l6v n GLN 93 N -3.88 2.30 -3.62 0.00 10.64 -1.26 -3.77 117.38 117.79 1l6v n GLN 93 Ca -0.51 -1.31 -0.07 0.00 -1.83 0.00 0.00 57.00 53.28 1l6v n GLN 93 Cb 0.92 -2.24 -0.02 0.00 -0.86 0.00 0.00 30.24 28.04 1l6v n GLN 93 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1l6v s ILE 94 N 1.85 0.00 0.39 -0.39 1.10 -1.26 -4.95 121.20 117.94 1l6v s ILE 94 Ca 0.58 -0.36 0.08 0.00 -0.51 0.00 0.00 60.65 60.43 1l6v s ILE 94 Cb 0.22 -1.46 -0.00 0.00 0.15 0.00 0.00 42.46 41.36 1l6v s ILE 94 CO -0.02 0.00 0.48 0.00 -2.11 0.00 0.00 174.94 173.29 1l6v s LEU 96 N -4.23 2.43 0.27 0.00 1.43 -1.22 -4.84 118.68 112.52 1l6v s LEU 96 Ca 0.50 1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 55.20 1l6v s LEU 96 Cb -0.08 -4.18 0.01 0.00 0.03 0.00 0.00 46.19 41.96 1l6v s LEU 96 CO 0.31 -2.82 0.61 -0.89 0.23 0.00 0.00 176.35 173.78 1l6v s THR 97 N -2.79 0.00 0.02 5.49 2.01 -1.26 -3.74 115.64 115.37 1l6v s THR 97 Ca 0.64 -1.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 1l6v s THR 97 Cb -0.20 -2.11 -0.26 0.00 0.01 0.00 0.00 72.50 69.94 1l6v s THR 97 CO 0.58 0.00 1.08 0.11 -0.69 0.00 0.00 174.62 175.70 1l6v h LYS 98 N 2.12 0.48 -0.04 4.92 1.79 -1.97 -2.19 116.57 121.69 1l6v h LYS 98 Ca -0.22 -0.58 0.01 0.00 -2.18 0.00 0.00 60.65 57.67 1l6v h LYS 98 Cb 1.25 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 32.08 1l6v h LYS 98 CO 0.29 1.22 0.30 0.00 -1.08 0.00 0.00 179.45 180.18 1l6v h ALA 99 N 0.28 1.38 0.00 3.86 0.00 -1.97 -1.24 119.26 121.57 1l6v h ALA 99 Ca -0.12 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 1l6v h ALA 99 Cb 1.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1l6v h ALA 99 CO 0.16 -0.33 -1.36 -1.33 0.00 0.00 0.00 179.25 176.40 1l6v n MET 100 N -3.00 0.56 -0.16 0.00 2.81 -1.15 -4.92 117.12 111.26 1l6v n MET 100 Ca -0.01 0.55 -0.07 0.00 -1.81 0.00 0.00 57.70 56.36 1l6v n MET 100 Cb 0.37 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 31.14 1l6v n MET 100 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1l6v n ASP 101 N -4.42 0.10 0.00 7.83 2.03 -0.47 0.46 116.55 122.08 1l6v n ASP 101 Ca -0.34 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.07 1l6v n ASP 101 Cb 0.69 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1l6v n ASP 101 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1l6v n ASN 102 N 0.59 -0.70 -4.66 1.67 2.85 0.46 -4.88 115.26 110.59 1l6v n ASN 102 Ca 0.04 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.12 1l6v n ASN 102 Cb -0.01 -0.30 -0.06 0.00 1.24 0.00 0.00 39.78 40.66 1l6v n ASN 102 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1l6v s MET 103 N -2.64 4.22 -0.66 1.20 0.23 0.17 -4.87 119.30 116.95 1l6v s MET 103 Ca 0.00 0.58 -0.19 0.00 -1.03 0.00 0.00 55.69 55.04 1l6v s MET 103 Cb 0.00 -3.57 0.11 0.00 -1.53 0.00 0.00 34.83 29.84 1l6v s MET 103 CO 0.00 -0.20 0.81 0.99 -2.03 0.00 0.00 175.02 174.59 1l6v s THR 104 N 1.79 4.77 -0.16 3.16 2.01 -1.26 -0.58 115.64 125.37 1l6v s THR 104 Ca 0.28 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.07 1l6v s THR 104 Cb -0.16 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 1l6v s THR 104 CO 0.10 -1.23 0.37 0.68 -0.69 0.00 0.00 174.62 173.85 1l6v s VAL 105 N 2.78 5.24 -0.04 3.82 -7.23 0.47 -4.71 120.40 120.73 1l6v s VAL 105 Ca 0.17 0.70 0.04 0.00 -1.81 0.00 0.00 61.98 61.08 1l6v s VAL 105 Cb -0.19 -3.71 -0.00 0.00 0.56 0.00 0.00 36.38 33.03 1l6v s VAL 105 CO 0.04 0.33 -0.17 -0.60 -0.31 0.00 0.00 175.10 174.38 1l6v s ARG 106 N 0.78 1.79 0.31 4.82 3.52 -1.20 -0.17 118.95 128.78 1l6v s ARG 106 Ca 0.20 -0.61 -0.26 0.00 -0.13 0.00 0.00 55.73 54.93 1l6v s ARG 106 Cb -0.14 -1.56 -0.10 0.00 -1.56 0.00 0.00 34.95 31.60 1l6v s ARG 106 CO 0.07 0.25 0.93 0.54 -0.81 0.00 0.00 175.30 176.27 1l6v s VAL 107 N 0.03 4.23 1.06 7.11 0.11 -1.22 0.11 120.40 131.83 1l6v s VAL 107 Ca -0.04 1.80 -0.17 0.00 -2.93 0.00 0.00 61.98 60.65 1l6v s VAL 107 Cb -0.11 -4.02 0.23 0.00 -1.53 0.00 0.00 36.38 30.94 1l6v s VAL 107 CO 0.02 0.18 1.21 -2.16 -3.33 0.00 0.00 175.10 171.02 1l6v s PRO 108 N -1.98 -0.11 0.00 1.54 0.04 -1.26 -4.84 135.00 128.39 1l6v s PRO 108 Ca 0.49 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1l6v s PRO 108 Cb -0.19 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1l6v s PRO 108 CO 0.24 -2.95 0.00 -3.47 0.04 0.00 0.00 177.00 170.86 1l6v n ASP 109 N -4.20 0.00 0.00 6.66 2.03 -1.26 -5.00 116.55 114.78 1l6v n ASP 109 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1l6v n ASP 109 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1l6v n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28