#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6v n LYS 6 N 0.00 -0.35 -4.42 -0.67 5.02 -1.26 -4.70 118.16 111.78 1l6v n LYS 6 Ca 0.00 -0.09 -0.21 0.00 -2.02 0.00 0.00 58.31 55.98 1l6v n LYS 6 Cb 0.00 -1.25 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 1l6v n LYS 6 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1l6v s ILE 7 N -2.10 0.64 0.22 -0.18 -5.25 0.13 -4.95 121.20 109.71 1l6v s ILE 7 Ca 0.44 -2.00 0.10 0.00 -0.99 0.00 0.00 60.65 58.20 1l6v s ILE 7 Cb -0.06 -2.54 -0.04 0.00 2.95 0.00 0.00 42.46 42.77 1l6v s ILE 7 CO 0.71 0.00 -0.15 -0.89 -1.79 0.00 0.00 174.94 172.82 1l6v s THR 8 N -3.42 2.81 -0.11 8.37 2.01 -1.26 0.13 115.64 124.16 1l6v s THR 8 Ca 0.32 -1.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.26 1l6v s THR 8 Cb 0.05 -2.41 0.04 0.00 0.01 0.00 0.00 72.50 70.19 1l6v s THR 8 CO 0.16 -0.22 0.28 -0.69 -0.69 0.00 0.00 174.62 173.46 1l6v s VAL 9 N -1.97 -0.02 -0.43 3.82 1.01 0.35 0.21 120.40 123.37 1l6v s VAL 9 Ca 0.26 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 1l6v s VAL 9 Cb -0.07 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.93 1l6v s VAL 9 CO 0.14 0.03 0.32 -1.00 0.00 0.00 0.00 175.10 174.60 1l6v s HIS 10 N 0.87 3.25 -1.02 5.22 3.76 0.24 0.50 115.29 128.11 1l6v s HIS 10 Ca -0.06 -0.82 -0.14 0.00 -0.15 0.00 0.00 55.06 53.89 1l6v s HIS 10 Cb -0.07 -2.82 0.19 0.00 1.11 0.00 0.00 32.58 31.00 1l6v s HIS 10 CO -0.06 -0.69 1.12 0.12 -0.85 0.00 0.00 174.74 174.37 1l6v s PHE 11 N 1.64 3.62 -0.21 1.40 2.19 -1.25 0.16 117.98 125.53 1l6v s PHE 11 Ca 0.04 -2.01 -0.32 0.00 0.33 0.00 0.00 56.93 54.98 1l6v s PHE 11 Cb -0.21 -4.08 -0.09 0.00 -1.31 0.00 0.00 43.02 37.33 1l6v s PHE 11 CO 0.08 -1.23 2.12 -0.89 1.83 0.00 0.00 175.22 177.13 1l6v n ILE 12 N 4.30 0.38 -0.21 3.12 5.41 0.13 -2.78 119.36 129.71 1l6v n ILE 12 Ca 0.25 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1l6v n ILE 12 Cb 0.45 -2.12 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 1l6v n ILE 12 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1l6v n ASN 13 N 9.72 -1.12 -1.79 4.38 5.15 -1.26 -3.88 115.26 126.46 1l6v n ASN 13 Ca 0.31 -0.21 -0.11 0.00 -0.60 0.00 0.00 54.58 53.96 1l6v n ASN 13 Cb 0.35 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.61 1l6v n ASN 13 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1l6v n ARG 14 N -1.34 1.57 0.00 1.20 5.12 -1.26 -3.59 116.66 118.36 1l6v n ARG 14 Ca 0.00 -1.05 0.00 0.00 -1.93 0.00 0.00 57.85 54.87 1l6v n ARG 14 Cb 0.00 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 29.86 1l6v n ARG 14 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1l6v n ASP 15 N 0.84 0.00 0.00 0.55 -0.08 -1.26 -5.02 116.55 111.58 1l6v n ASP 15 Ca 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1l6v n ASP 15 Cb 0.56 0.05 0.00 0.00 2.34 0.00 0.00 41.12 44.07 1l6v n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1l6v n GLY 16 N -1.47 0.27 3.52 0.27 0.00 -1.24 -5.04 105.19 101.50 1l6v n GLY 16 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.41 -1.30 1.61 1.02 -1.26 -4.70 120.64 116.42 1l6v n GLU 17 Ca 0.00 -1.65 -0.34 0.00 -0.02 0.00 0.00 57.16 55.15 1l6v n GLU 17 Cb 0.00 -3.47 -0.14 0.00 -0.02 0.00 0.00 31.44 27.81 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 8.14 0.00 0.04 2.62 -1.04 -1.26 -4.07 114.28 118.70 1l6v n THR 18 Ca 0.44 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 62.28 1l6v n THR 18 Cb 0.45 -0.38 -0.06 0.00 -1.82 0.00 0.00 70.33 68.52 1l6v n THR 18 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1l6v h LEU 19 N 10.31 -0.06 -0.81 -4.42 -0.00 -1.83 -3.47 115.31 115.03 1l6v h LEU 19 Ca -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1l6v h LEU 19 Cb 1.12 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1l6v h LEU 19 CO 1.23 -0.03 -0.75 0.41 -0.00 0.00 0.00 178.44 179.30 1l6v n THR 20 N -5.12 -4.57 -3.50 0.22 -1.04 -1.25 -4.87 114.28 94.14 1l6v n THR 20 Ca -0.06 1.98 -0.10 0.00 -2.04 0.00 0.00 64.05 63.83 1l6v n THR 20 Cb 0.06 -2.73 -0.03 0.00 -1.82 0.00 0.00 70.33 65.81 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 -3.16 0.00 -0.14 12.58 -1.32 0.18 -4.84 115.64 118.94 1l6v s THR 21 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1l6v s THR 21 Cb 0.00 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1l6v s THR 21 CO 0.00 0.00 -0.17 -1.59 -2.21 0.00 0.00 174.62 170.65 1l6v s LYS 22 N -2.86 3.20 0.46 7.08 -2.85 -1.26 0.13 119.74 123.63 1l6v s LYS 22 Ca 0.03 -0.77 0.04 0.00 -1.00 0.00 0.00 55.97 54.27 1l6v s LYS 22 Cb -0.01 -2.57 -0.04 0.00 -2.06 0.00 0.00 37.83 33.15 1l6v s LYS 22 CO -0.07 0.05 0.01 0.20 0.10 0.00 0.00 175.35 175.64 1l6v s GLY 23 N 0.71 2.77 0.10 0.59 0.00 0.12 -4.89 107.32 106.73 1l6v s GLY 23 Ca -0.08 -1.27 0.04 0.00 0.00 0.00 0.00 44.72 43.41 1l6v s GLY 23 CO 0.01 -2.14 0.10 0.54 0.00 0.00 0.00 173.10 171.61 1l6v s LYS 24 N -3.80 2.89 -0.21 2.90 1.02 -1.26 0.21 119.74 121.49 1l6v s LYS 24 Ca 0.19 -0.74 -0.28 0.00 0.02 0.00 0.00 55.97 55.16 1l6v s LYS 24 Cb 0.05 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1l6v s LYS 24 CO 0.10 0.54 2.08 -1.50 -0.92 0.00 0.00 175.35 175.65 1l6v s ILE 25 N -1.50 3.13 0.00 2.17 2.07 -1.26 -1.11 121.20 124.71 1l6v s ILE 25 Ca 0.30 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.68 1l6v s ILE 25 Cb -0.12 -3.16 0.00 0.00 0.13 0.00 0.00 42.46 39.31 1l6v s ILE 25 CO 0.22 -0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 1l6v n GLY 26 N 5.48 1.25 3.50 1.50 0.00 -1.19 -4.91 105.19 110.82 1l6v n GLY 26 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1l6v n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1l6v s ASP 27 N -2.00 5.64 0.00 1.61 1.11 -0.26 -4.74 116.67 118.03 1l6v s ASP 27 Ca 0.00 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.45 1l6v s ASP 27 Cb 0.00 -2.03 0.00 0.00 1.07 0.00 0.00 42.92 41.96 1l6v s ASP 27 CO 0.00 -0.12 0.00 -0.24 1.18 0.00 0.00 175.17 175.99 1l6v n SER 28 N 5.01 0.00 -3.57 0.27 2.88 -1.26 -2.70 113.62 114.24 1l6v n SER 28 Ca -0.14 -0.92 -0.23 0.00 -1.33 0.00 0.00 58.87 56.25 1l6v n SER 28 Cb 0.51 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.05 1l6v n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1l6v n LEU 29 N 0.00 -3.52 -2.65 2.46 4.32 -1.26 -3.14 117.00 113.21 1l6v n LEU 29 Ca 0.00 -0.56 -0.05 0.00 -0.02 0.00 0.00 56.01 55.39 1l6v n LEU 29 Cb 0.00 -3.05 0.02 0.00 -1.62 0.00 0.00 43.42 38.77 1l6v n LEU 29 CO 0.00 0.61 0.14 0.18 -1.22 0.00 0.00 177.39 177.10 1l6v n LEU 30 N -4.85 -4.99 0.00 2.23 7.99 -1.26 -4.44 117.00 111.69 1l6v n LEU 30 Ca -0.05 -0.25 -0.01 0.00 -0.01 0.00 0.00 56.01 55.70 1l6v n LEU 30 Cb 0.58 -2.52 -0.00 0.00 -0.11 0.00 0.00 43.42 41.37 1l6v n LEU 30 CO 0.64 -0.40 -0.05 -0.67 -1.51 0.00 0.00 177.39 175.40 1l6v n ASP 31 N -2.06 0.38 -0.29 -1.43 4.64 -1.19 -4.38 116.55 112.23 1l6v n ASP 31 Ca -0.02 0.05 -0.01 0.00 -1.38 0.00 0.00 54.79 53.43 1l6v n ASP 31 Cb 0.54 -0.21 0.05 0.00 -1.04 0.00 0.00 41.12 40.45 1l6v n ASP 31 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1l6v h VAL 32 N -0.07 0.11 0.00 5.18 3.04 -1.86 2.94 116.25 125.59 1l6v h VAL 32 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1l6v h VAL 32 Cb 0.07 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.46 1l6v h VAL 32 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.57 177.08 1l6v n VAL 33 N -5.48 0.00 -0.23 1.51 0.31 -1.26 -2.44 118.33 110.74 1l6v n VAL 33 Ca 0.08 1.30 0.01 0.00 -0.01 0.00 0.00 64.34 65.73 1l6v n VAL 33 Cb 0.39 -2.11 0.09 0.00 -0.91 0.00 0.00 33.84 31.30 1l6v n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1l6v h VAL 34 N 0.00 0.35 -0.66 2.52 2.07 -1.59 1.52 116.25 120.46 1l6v h VAL 34 Ca 0.00 -0.01 0.25 0.00 0.82 0.00 0.00 66.70 67.75 1l6v h VAL 34 Cb 0.00 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 29.97 1l6v h VAL 34 CO 0.00 0.01 0.24 0.00 0.02 0.00 0.00 177.57 177.84 1l6v n GLN 35 N -5.41 -0.04 -0.06 1.57 1.13 0.98 0.16 117.38 115.71 1l6v n GLN 35 Ca 0.09 0.94 -0.03 0.00 -1.94 0.00 0.00 57.00 56.06 1l6v n GLN 35 Cb 0.37 -1.62 -0.13 0.00 0.11 0.00 0.00 30.24 28.98 1l6v n GLN 35 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1l6v n ASN 36 N -4.62 1.16 0.00 1.08 5.15 0.71 -5.00 115.26 113.75 1l6v n ASN 36 Ca 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 1l6v n ASN 36 Cb 0.74 1.14 0.00 0.00 -0.53 0.00 0.00 39.78 41.12 1l6v n ASN 36 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1l6v n ASN 37 N -2.44 -0.63 -3.93 1.20 5.15 0.49 -5.04 115.26 110.07 1l6v n ASN 37 Ca -0.19 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.43 1l6v n ASN 37 Cb 0.85 -0.14 0.03 0.00 -0.53 0.00 0.00 39.78 39.99 1l6v n ASN 37 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1l6v n LEU 38 N 0.00 -5.33 -0.10 1.20 4.77 -0.64 -4.80 117.00 112.11 1l6v n LEU 38 Ca 0.00 0.28 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1l6v n LEU 38 Cb 0.05 -0.76 0.01 0.00 -2.33 0.00 0.00 43.42 40.40 1l6v n LEU 38 CO 0.00 -5.58 0.84 -0.78 -1.33 0.00 0.00 177.39 170.54 1l6v h ASP 39 N -0.74 -0.19 -7.07 -1.43 3.58 -1.96 -3.46 116.42 105.15 1l6v h ASP 39 Ca -0.42 0.09 -0.47 0.00 0.42 0.00 0.00 57.03 56.64 1l6v h ASP 39 Cb 1.29 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 1l6v h ASP 39 CO 0.27 -0.06 -0.80 0.00 -2.88 0.00 0.00 179.24 175.77 1l6v n ILE 40 N -5.21 -2.04 -1.55 2.25 0.13 -1.26 -4.58 119.36 107.10 1l6v n ILE 40 Ca 0.01 -0.45 -0.21 0.00 -1.10 0.00 0.00 62.75 61.00 1l6v n ILE 40 Cb 0.18 -1.73 -0.07 0.00 -0.84 0.00 0.00 39.64 37.19 1l6v n ILE 40 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1l6v n ASP 41 N -1.46 1.81 0.00 9.51 2.03 -1.26 0.37 116.55 127.56 1l6v n ASP 41 Ca -0.09 -1.13 0.00 0.00 0.52 0.00 0.00 54.79 54.09 1l6v n ASP 41 Cb 0.44 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.25 1l6v n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l6v n GLY 42 N 6.51 1.72 2.51 0.27 0.00 -1.26 -5.05 105.19 109.89 1l6v n GLY 42 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.76 -1.91 -1.40 1.61 -1.74 0.16 -4.48 117.46 108.94 1l6v n PHE 43 Ca 0.00 0.42 -0.53 0.00 -0.56 0.00 0.00 57.45 56.77 1l6v n PHE 43 Cb 0.00 -1.33 -0.06 0.00 1.52 0.00 0.00 39.48 39.61 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 1.85 -0.66 0.13 4.97 0.00 -1.26 -4.84 105.19 105.38 1l6v n GLY 44 Ca 0.07 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.70 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 1.03 0.02 0.00 4.61 0.00 -1.26 -3.54 120.51 121.36 1l6v n ALA 45 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1l6v n ALA 45 Cb 0.12 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.23 -0.98 0.00 1.02 -1.23 -4.90 120.64 114.78 1l6v n GLU 47 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1l6v n GLU 47 Cb 0.00 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.56 -1.86 0.12 0.62 0.00 -1.25 -4.38 105.19 99.00 1l6v n GLY 48 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.36 0.00 -2.22 2.61 -1.04 -1.26 -4.92 114.28 107.81 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 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1l6v n THR 49 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1l6v n LEU 50 N 0.00 -4.47 0.00 -4.42 4.77 -1.26 -4.93 117.00 106.69 1l6v n LEU 50 Ca 0.00 2.31 0.00 0.00 -0.03 0.00 0.00 56.01 58.29 1l6v n LEU 50 Cb 0.23 -2.69 0.00 0.00 -2.33 0.00 0.00 43.42 38.63 1l6v n LEU 50 CO 0.00 -2.38 0.00 0.00 -1.33 0.00 0.00 177.39 173.68 1l6v n ALA 51 N 1.90 0.00 -3.45 -1.18 0.00 -1.26 -4.99 120.51 111.53 1l6v n ALA 51 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1l6v n ALA 51 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.19 -0.01 0.08 0.00 2.88 -1.26 -4.86 113.62 108.26 1l6v n SER 53 Ca 0.01 -1.52 0.12 0.00 -1.33 0.00 0.00 58.87 56.14 1l6v n SER 53 Cb 0.17 -0.08 0.06 0.00 -0.75 0.00 0.00 64.21 63.60 1l6v n SER 53 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1l6v n THR 54 N 0.02 0.46 1.73 2.46 -2.24 -1.26 -3.46 114.28 111.99 1l6v n THR 54 Ca -0.01 -0.41 0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1l6v n THR 54 Cb 0.63 -0.18 0.83 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.01 1.75 -4.02 0.00 1.44 -1.17 -4.20 115.22 108.02 1l6v n HIS 56 Ca 0.20 0.92 -0.10 0.00 -2.01 0.00 0.00 57.72 56.73 1l6v n HIS 56 Cb 0.18 -2.30 -0.08 0.00 0.12 0.00 0.00 29.99 27.92 1l6v n HIS 56 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1l6v s LEU 57 N 2.80 1.16 -0.23 2.39 1.43 -1.25 -4.25 118.68 120.73 1l6v s LEU 57 Ca 1.01 -0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1l6v s LEU 57 Cb -1.31 0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1l6v s LEU 57 CO 0.73 -0.86 0.01 -0.63 0.23 0.00 0.00 176.35 175.83 1l6v s ILE 58 N -4.00 3.85 -0.21 -0.59 1.09 0.53 -4.12 121.20 117.75 1l6v s ILE 58 Ca 0.20 -0.33 -0.03 0.00 -1.10 0.00 0.00 60.65 59.39 1l6v s ILE 58 Cb 0.04 -2.77 -0.00 0.00 -1.06 0.00 0.00 42.46 38.67 1l6v s ILE 58 CO 0.01 0.39 -0.08 -0.36 -0.10 0.00 0.00 174.94 174.80 1l6v s PHE 59 N 1.44 2.91 -0.20 3.97 0.08 0.78 -2.82 117.98 124.15 1l6v s PHE 59 Ca 0.05 -1.10 -0.31 0.00 0.12 0.00 0.00 56.93 55.70 1l6v s PHE 59 Cb -0.15 -2.05 -0.14 0.00 -0.57 0.00 0.00 43.02 40.11 1l6v s PHE 59 CO 0.00 -0.60 0.97 -1.91 -0.10 0.00 0.00 175.22 173.59 1l6v n GLU 60 N 4.70 0.00 -0.28 0.44 2.13 -1.26 -3.82 120.64 122.54 1l6v n GLU 60 Ca -0.19 0.00 0.26 0.00 0.66 0.00 0.00 57.16 57.89 1l6v n GLU 60 Cb 0.51 -1.07 0.60 0.00 0.27 0.00 0.00 31.44 31.75 1l6v n GLU 60 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 1l6v h GLN 61 N 2.92 0.23 0.00 5.31 3.07 -1.87 1.66 115.11 126.43 1l6v h GLN 61 Ca -0.33 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.39 1l6v h GLN 61 Cb 0.99 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.50 1l6v h GLN 61 CO 0.59 0.15 0.00 1.58 0.09 0.00 0.00 178.83 181.24 1l6v n HIS 62 N -4.45 0.41 -0.08 0.06 -0.00 -1.26 0.26 115.22 110.17 1l6v n HIS 62 Ca 0.23 0.21 -0.10 0.00 0.46 0.00 0.00 57.72 58.52 1l6v n HIS 62 Cb 0.95 -0.84 -0.08 0.00 -0.12 0.00 0.00 29.99 29.90 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 -1.92 0.92 -0.07 3.57 5.41 0.55 -4.57 119.36 123.25 1l6v n ILE 63 Ca -0.00 -0.38 -0.06 0.00 1.00 0.00 0.00 62.75 63.30 1l6v n ILE 63 Cb 0.03 -1.01 -0.03 0.00 -0.71 0.00 0.00 39.64 37.93 1l6v n ILE 63 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1l6v h PHE 64 N 0.00 0.00 -1.46 1.39 3.57 -0.20 -3.35 116.94 116.88 1l6v h PHE 64 Ca -0.36 0.00 0.44 0.00 3.53 0.00 0.00 57.97 61.58 1l6v h PHE 64 Cb 1.59 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 40.26 1l6v h PHE 64 CO 0.02 0.23 1.03 -0.85 -2.23 0.00 0.00 178.31 176.50 1l6v n GLU 65 N -4.63 -0.01 -0.86 1.11 0.28 0.72 0.19 120.64 117.44 1l6v n GLU 65 Ca -0.09 0.90 -0.12 0.00 -0.16 0.00 0.00 57.16 57.70 1l6v n GLU 65 Cb 0.27 -1.99 -0.02 0.00 1.43 0.00 0.00 31.44 31.12 1l6v n GLU 65 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1l6v n LYS 66 N -3.73 1.65 -2.67 3.44 2.85 -1.22 -4.19 118.16 114.28 1l6v n LYS 66 Ca 0.35 -1.05 -0.03 0.00 -1.05 0.00 0.00 58.31 56.53 1l6v n LYS 66 Cb 1.52 -1.54 0.04 0.00 -0.65 0.00 0.00 35.03 34.40 1l6v n LYS 66 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1l6v n LEU 67 N 1.17 -1.36 -3.72 -5.58 -0.00 0.49 -5.03 117.00 102.97 1l6v n LEU 67 Ca 0.25 -1.01 -0.42 0.00 -0.00 0.00 0.00 56.01 54.83 1l6v n LEU 67 Cb 0.60 0.54 -0.00 0.00 -0.00 0.00 0.00 43.42 44.56 1l6v n LEU 67 CO 0.20 1.21 2.53 -0.62 -0.00 0.00 0.00 177.39 180.71 1l6v n GLU 68 N 2.40 3.23 -3.85 1.47 1.02 -1.26 -4.78 120.64 118.86 1l6v n GLU 68 Ca 0.10 -2.87 -0.29 0.00 -0.02 0.00 0.00 57.16 54.08 1l6v n GLU 68 Cb 0.66 -3.11 -0.11 0.00 -0.02 0.00 0.00 31.44 28.86 1l6v n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l6v n ALA 69 N 5.03 3.50 -3.51 0.62 0.00 -1.26 -5.03 120.51 119.87 1l6v n ALA 69 Ca 0.51 -4.55 -0.16 0.00 0.00 0.00 0.00 53.44 49.24 1l6v n ALA 69 Cb 0.36 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1l6v n ALA 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1l6v s ILE 70 N -1.49 0.01 0.36 0.00 2.07 -1.26 -4.83 121.20 116.05 1l6v s ILE 70 Ca 0.26 -0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.32 1l6v s ILE 70 Cb -0.04 -0.92 0.03 0.00 0.13 0.00 0.00 42.46 41.66 1l6v s ILE 70 CO -0.16 -0.03 0.68 -0.89 -1.91 0.00 0.00 174.94 172.63 1l6v s THR 71 N -0.61 0.00 0.63 4.00 2.01 -1.26 -4.84 115.64 115.57 1l6v s THR 71 Ca -0.07 -1.19 0.33 0.00 0.31 0.00 0.00 61.69 61.08 1l6v s THR 71 Cb -0.02 -2.71 0.37 0.00 0.01 0.00 0.00 72.50 70.14 1l6v s THR 71 CO 0.06 0.00 2.12 -0.78 -0.69 0.00 0.00 174.62 175.33 1l6v h ASP 72 N 2.04 0.00 0.00 3.53 3.58 -2.01 -0.57 116.42 122.99 1l6v h ASP 72 Ca -0.30 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.06 1l6v h ASP 72 Cb 1.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 1l6v h ASP 72 CO 0.38 0.00 -1.30 1.21 -2.88 0.00 0.00 179.24 176.65 1l6v n GLU 73 N -3.34 0.12 -0.35 0.28 2.13 -1.26 -4.67 120.64 113.55 1l6v n GLU 73 Ca -0.01 0.05 0.23 0.00 0.66 0.00 0.00 57.16 58.09 1l6v n GLU 73 Cb 0.28 -0.75 0.48 0.00 0.27 0.00 0.00 31.44 31.71 1l6v n GLU 73 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1l6v h GLU 74 N -0.17 0.39 -0.89 5.31 4.57 -1.89 0.21 114.58 122.11 1l6v h GLU 74 Ca -0.14 -0.02 0.30 0.00 -1.18 0.00 0.00 59.36 58.32 1l6v h GLU 74 Cb 1.13 -0.09 -0.16 0.00 -0.16 0.00 0.00 28.75 29.47 1l6v h GLU 74 CO -0.07 0.26 0.21 0.27 -1.18 0.00 0.00 179.01 178.50 1l6v n ASN 75 N -4.83 0.07 -2.96 1.04 0.23 -0.23 -4.68 115.26 103.90 1l6v n ASN 75 Ca 0.29 1.50 -0.01 0.00 -0.53 0.00 0.00 54.58 55.83 1l6v n ASN 75 Cb 0.92 -0.62 -0.01 0.00 -2.08 0.00 0.00 39.78 37.99 1l6v n ASN 75 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1l6v n ASP 76 N -5.18 -5.82 0.00 0.53 8.00 0.74 -2.96 116.55 111.86 1l6v n ASP 76 Ca 0.26 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1l6v n ASP 76 Cb 0.88 -2.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.42 1l6v n ASP 76 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1l6v n MET 77 N 2.17 0.00 0.00 -1.24 1.56 -1.26 -4.82 117.12 113.53 1l6v n MET 77 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 1l6v n MET 77 Cb 0.21 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.58 1l6v n MET 77 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1l6v n LEU 78 N 0.00 0.00 0.00 -0.89 4.77 -1.15 -4.49 117.00 115.24 1l6v n LEU 78 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1l6v n LEU 78 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1l6v n LEU 78 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.53 1l6v n ASP 79 N 0.00 0.00 0.00 -1.43 9.92 -1.26 -0.94 116.55 122.83 1l6v n ASP 79 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1l6v n ASP 79 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1l6v n ASP 79 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1l6v n LEU 80 N 0.00 0.07 -3.85 0.64 -0.00 -1.26 -4.98 117.00 107.62 1l6v n LEU 80 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1l6v n LEU 80 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1l6v n LEU 80 CO 0.00 0.01 -0.24 0.00 -0.00 0.00 0.00 177.39 177.16 1l6v n ALA 81 N -0.86 -2.76 -3.57 1.96 0.00 -0.12 0.22 120.51 115.39 1l6v n ALA 81 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 1l6v n ALA 81 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1l6v n ALA 81 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1l6v n TYR 82 N -3.05 -1.47 -3.33 0.00 9.36 -1.26 -1.70 117.16 115.71 1l6v n TYR 82 Ca -0.29 0.55 -0.17 0.00 3.32 0.00 0.00 57.90 61.32 1l6v n TYR 82 Cb 0.67 -2.09 0.05 0.00 -0.63 0.00 0.00 39.34 37.34 1l6v n TYR 82 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1l6v n GLY 83 N -1.44 -1.15 3.66 2.98 0.00 -0.66 -3.86 105.19 104.72 1l6v n GLY 83 Ca -0.23 0.54 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 1l6v n GLY 83 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1l6v n LEU 84 N -3.22 2.85 0.00 0.99 -0.00 0.61 -4.64 117.00 113.59 1l6v n LEU 84 Ca -0.07 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 57.09 1l6v n LEU 84 Cb 0.60 -1.39 0.00 0.00 -0.00 0.00 0.00 43.42 42.62 1l6v n LEU 84 CO 0.60 -0.64 0.00 0.41 -0.00 0.00 0.00 177.39 177.76 1l6v n THR 85 N 1.72 0.00 1.20 1.47 -1.04 -1.26 -5.00 114.28 111.37 1l6v n THR 85 Ca 0.12 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.25 1l6v n THR 85 Cb 0.31 -1.11 0.29 0.00 -1.82 0.00 0.00 70.33 67.99 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 -1.30 1.42 -2.98 8.00 8.00 -1.26 -4.24 116.55 124.19 1l6v n ASP 86 Ca 0.00 -1.17 -0.24 0.00 0.71 0.00 0.00 54.79 54.10 1l6v n ASP 86 Cb 0.00 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.31 2.52 -3.62 -1.24 1.85 -1.26 -4.60 116.66 110.00 1l6v n ARG 87 Ca 0.12 -4.36 -0.15 0.00 -1.00 0.00 0.00 57.85 52.46 1l6v n ARG 87 Cb 0.39 -2.06 -0.07 0.00 -1.05 0.00 0.00 32.46 29.68 1l6v n ARG 87 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1l6v s SER 88 N -3.16 -0.44 -0.39 2.89 0.15 -1.25 0.28 113.70 111.77 1l6v s SER 88 Ca 0.46 0.35 0.11 0.00 0.70 0.00 0.00 55.95 57.57 1l6v s SER 88 Cb 0.31 0.45 0.34 0.00 -1.71 0.00 0.00 66.02 65.41 1l6v s SER 88 CO -0.12 -0.59 0.74 -1.14 1.20 0.00 0.00 173.24 173.33 1l6v n ARG 89 N 0.88 1.19 0.00 5.44 0.63 -1.26 -4.87 116.66 118.67 1l6v n ARG 89 Ca -0.20 -3.53 0.00 0.00 -0.92 0.00 0.00 57.85 53.21 1l6v n ARG 89 Cb 0.58 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1l6v n ARG 89 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1l6v n LEU 90 N 0.31 0.00 0.00 6.15 -0.00 -1.26 -4.70 117.00 117.50 1l6v n LEU 90 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1l6v n LEU 90 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1l6v n LEU 90 CO 0.22 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 1l6v n GLY 91 N 0.00 3.82 7.00 -3.96 0.00 -1.26 -3.02 105.19 107.77 1l6v n GLY 91 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.24 0.00 -1.48 0.00 6.02 -1.26 -4.80 117.38 115.61 1l6v n GLN 93 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1l6v n GLN 93 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 1l6v n GLN 93 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1l6v n ILE 94 N 0.00 -0.01 -0.96 5.09 -5.35 -1.26 -4.50 119.36 112.37 1l6v n ILE 94 Ca 0.00 -0.15 -0.30 0.00 -0.27 0.00 0.00 62.75 62.03 1l6v n ILE 94 Cb 0.00 -0.95 0.15 0.00 -1.74 0.00 0.00 39.64 37.10 1l6v n ILE 94 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1l6v s LEU 96 N -6.41 3.75 0.32 0.00 1.43 -1.10 -4.84 118.68 111.83 1l6v s LEU 96 Ca 0.65 2.27 -0.17 0.00 -1.03 0.00 0.00 54.13 55.84 1l6v s LEU 96 Cb -0.20 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.49 1l6v s LEU 96 CO 0.58 -1.32 0.71 0.42 0.23 0.00 0.00 176.35 176.97 1l6v s THR 97 N -1.69 0.00 0.18 5.49 -4.23 -1.26 -3.18 115.64 110.95 1l6v s THR 97 Ca 0.73 -1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.09 1l6v s THR 97 Cb -0.27 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.23 1l6v s THR 97 CO 0.30 0.00 1.60 0.50 -0.54 0.00 0.00 174.62 176.48 1l6v h LYS 98 N 2.03 0.98 -0.63 3.99 3.64 -1.96 -1.31 116.57 123.31 1l6v h LYS 98 Ca -0.25 -0.37 0.01 0.00 -1.27 0.00 0.00 60.65 58.77 1l6v h LYS 98 Cb 1.25 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1l6v h LYS 98 CO 0.32 1.05 0.42 0.00 -2.27 0.00 0.00 179.45 178.96 1l6v h ALA 99 N 0.97 1.56 -0.12 5.00 0.00 -1.98 0.15 119.26 124.84 1l6v h ALA 99 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1l6v h ALA 99 Cb 0.69 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1l6v h ALA 99 CO 0.05 0.40 0.00 -1.33 0.00 0.00 0.00 179.25 178.37 1l6v n MET 100 N -4.44 1.63 -1.68 0.00 2.81 -0.95 -4.75 117.12 109.73 1l6v n MET 100 Ca 0.07 -0.94 -0.38 0.00 -1.81 0.00 0.00 57.70 54.64 1l6v n MET 100 Cb 0.05 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.13 1l6v n MET 100 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1l6v s ASP 101 N -1.65 4.83 0.00 7.83 3.68 0.53 0.01 116.67 131.90 1l6v s ASP 101 Ca 0.33 1.08 0.00 0.00 2.13 0.00 0.00 52.55 56.09 1l6v s ASP 101 Cb 0.18 -2.51 0.00 0.00 -1.45 0.00 0.00 42.92 39.14 1l6v s ASP 101 CO 0.27 -2.58 0.00 0.59 0.13 0.00 0.00 175.17 173.58 1l6v n ASN 102 N 14.36 -1.35 -4.75 -0.34 3.02 0.58 -4.86 115.26 121.91 1l6v n ASN 102 Ca 0.32 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.46 1l6v n ASN 102 Cb 0.52 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 1l6v n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1l6v s MET 103 N -2.47 4.40 -0.89 3.52 0.23 0.10 -4.61 119.30 119.59 1l6v s MET 103 Ca 0.00 2.07 -0.16 0.00 -1.03 0.00 0.00 55.69 56.57 1l6v s MET 103 Cb 0.00 -3.16 0.18 0.00 -1.53 0.00 0.00 34.83 30.31 1l6v s MET 103 CO 0.00 -0.20 0.95 0.99 -2.03 0.00 0.00 175.02 174.73 1l6v s THR 104 N -0.27 5.21 -0.24 3.16 2.01 -1.26 0.79 115.64 125.04 1l6v s THR 104 Ca 0.54 -2.09 -0.26 0.00 0.31 0.00 0.00 61.69 60.19 1l6v s THR 104 Cb -0.37 -4.62 0.00 0.00 0.01 0.00 0.00 72.50 67.52 1l6v s THR 104 CO 0.42 -1.26 0.92 0.68 -0.69 0.00 0.00 174.62 174.69 1l6v s VAL 105 N 1.31 4.77 -0.03 3.82 -7.23 0.42 -4.62 120.40 118.84 1l6v s VAL 105 Ca 0.25 1.77 0.04 0.00 -1.81 0.00 0.00 61.98 62.23 1l6v s VAL 105 Cb -0.07 -4.20 -0.00 0.00 0.56 0.00 0.00 36.38 32.66 1l6v s VAL 105 CO -0.09 -0.12 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.85 1l6v s ARG 106 N 2.98 1.31 0.44 4.82 3.52 -1.13 0.20 118.95 131.10 1l6v s ARG 106 Ca 0.39 -0.48 -0.25 0.00 -0.13 0.00 0.00 55.73 55.26 1l6v s ARG 106 Cb -0.15 -1.20 -0.08 0.00 -1.56 0.00 0.00 34.95 31.96 1l6v s ARG 106 CO 0.07 0.22 1.29 0.14 -0.81 0.00 0.00 175.30 176.22 1l6v s VAL 107 N -0.04 2.57 0.00 7.11 -7.23 -1.25 0.20 120.40 121.76 1l6v s VAL 107 Ca -0.00 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 1l6v s VAL 107 Cb -0.09 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1l6v s VAL 107 CO 0.01 0.04 0.00 -0.81 -0.31 0.00 0.00 175.10 174.03 1l6v n PRO 108 N -0.23 0.57 -3.64 4.82 -0.04 -1.26 -4.83 135.00 130.40 1l6v n PRO 108 Ca 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1l6v n PRO 108 Cb 0.45 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.84 1l6v n PRO 108 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1l6v s ASP 109 N -1.26 -0.73 0.00 3.54 -4.77 -1.25 -5.09 116.67 107.11 1l6v s ASP 109 Ca 0.00 1.27 0.00 0.00 -3.30 0.00 0.00 52.55 50.52 1l6v s ASP 109 Cb 0.00 1.30 0.00 0.00 -1.09 0.00 0.00 42.92 43.13 1l6v s ASP 109 CO 0.00 -0.21 0.00 0.00 0.70 0.00 0.00 175.17 175.66