#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 1.63 0.19 -1.24 -2.85 -1.26 -2.40 119.74 113.82 1l6v s LYS 6 Ca 0.00 -1.80 0.01 0.00 -1.00 0.00 0.00 55.97 53.18 1l6v s LYS 6 Cb 0.00 -1.47 -0.05 0.00 -2.06 0.00 0.00 37.83 34.26 1l6v s LYS 6 CO 0.00 0.16 0.04 0.96 0.10 0.00 0.00 175.35 176.61 1l6v s ILE 7 N -2.76 0.50 0.24 3.79 -5.25 0.27 -4.77 121.20 113.22 1l6v s ILE 7 Ca 0.30 -1.98 0.11 0.00 -0.99 0.00 0.00 60.65 58.09 1l6v s ILE 7 Cb 0.01 -2.27 -0.05 0.00 2.95 0.00 0.00 42.46 43.10 1l6v s ILE 7 CO 0.13 -0.32 -0.17 -0.89 -1.79 0.00 0.00 174.94 171.91 1l6v s THR 8 N -3.78 2.69 -0.03 8.37 2.01 -1.26 0.20 115.64 123.83 1l6v s THR 8 Ca 0.29 -2.12 -0.17 0.00 0.31 0.00 0.00 61.69 60.00 1l6v s THR 8 Cb 0.07 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.24 1l6v s THR 8 CO 0.07 -0.27 0.36 -0.69 -0.69 0.00 0.00 174.62 173.40 1l6v s VAL 9 N -2.12 0.04 -0.28 3.82 1.01 -0.12 0.20 120.40 122.95 1l6v s VAL 9 Ca 0.27 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1l6v s VAL 9 Cb -0.07 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1l6v s VAL 9 CO 0.14 -0.20 -0.04 -1.00 0.00 0.00 0.00 175.10 174.01 1l6v s HIS 10 N -1.15 3.22 -0.18 5.22 3.76 0.21 -0.59 115.29 125.79 1l6v s HIS 10 Ca -0.12 -1.91 -0.16 0.00 -0.15 0.00 0.00 55.06 52.73 1l6v s HIS 10 Cb -0.04 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 1l6v s HIS 10 CO 0.05 -0.81 0.38 -0.06 -0.85 0.00 0.00 174.74 173.45 1l6v s PHE 11 N 1.24 3.42 -0.14 1.40 0.40 -1.26 0.13 117.98 123.17 1l6v s PHE 11 Ca -0.05 0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 56.83 1l6v s PHE 11 Cb -0.19 -2.48 -0.05 0.00 0.51 0.00 0.00 43.02 40.81 1l6v s PHE 11 CO -0.03 0.08 0.19 0.42 0.70 0.00 0.00 175.22 176.59 1l6v s ILE 12 N 0.98 5.39 0.00 0.64 1.01 0.36 0.11 121.20 129.68 1l6v s ILE 12 Ca 0.20 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.18 1l6v s ILE 12 Cb -0.14 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1l6v s ILE 12 CO 0.07 0.52 0.00 -3.20 0.00 0.00 0.00 174.94 172.33 1l6v n ASN 13 N 2.72 0.00 -1.79 3.58 5.15 -1.26 -4.12 115.26 119.55 1l6v n ASN 13 Ca -0.17 -0.51 -0.13 0.00 -0.60 0.00 0.00 54.58 53.18 1l6v n ASN 13 Cb 0.53 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.82 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 -0.51 1.63 0.00 1.20 3.00 -1.26 -3.67 116.66 117.05 1l6v n ARG 14 Ca 0.00 -1.24 0.00 0.00 -0.01 0.00 0.00 57.85 56.60 1l6v n ARG 14 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 30.97 1l6v n ARG 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1l6v n ASP 15 N 0.52 0.00 0.00 0.55 -0.08 -1.26 -5.03 116.55 111.26 1l6v n ASP 15 Ca 0.24 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1l6v n ASP 15 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 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 -1.19 1.49 2.82 0.27 0.00 -1.24 -5.04 105.19 102.29 1l6v n GLY 16 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.08 -1.43 1.61 1.02 -1.26 -4.83 120.64 118.83 1l6v n GLU 17 Ca 0.00 -2.90 -0.56 0.00 -0.02 0.00 0.00 57.16 53.68 1l6v n GLU 17 Cb 0.00 -3.20 -0.08 0.00 -0.02 0.00 0.00 31.44 28.14 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 4.67 0.00 -0.01 2.62 -1.04 -1.26 -4.44 114.28 114.83 1l6v n THR 18 Ca 0.48 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 62.30 1l6v n THR 18 Cb 0.39 -0.40 -0.14 0.00 -1.82 0.00 0.00 70.33 68.36 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 4.06 0.28 -0.76 -4.42 -0.00 -0.70 -3.48 115.31 110.29 1l6v h LEU 19 Ca -0.36 -0.88 0.00 0.00 -0.00 0.00 0.00 57.88 56.64 1l6v h LEU 19 Cb 1.13 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1l6v h LEU 19 CO 0.80 1.39 -0.65 0.41 -0.00 0.00 0.00 178.44 180.38 1l6v n THR 20 N -4.21 -4.17 -3.55 0.22 -1.04 -1.26 -4.88 114.28 95.39 1l6v n THR 20 Ca -0.19 1.76 -0.16 0.00 -2.04 0.00 0.00 64.05 63.43 1l6v n THR 20 Cb 0.75 -2.50 -0.06 0.00 -1.82 0.00 0.00 70.33 66.71 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 -2.52 0.01 0.04 12.58 -1.32 0.24 -4.86 115.64 119.82 1l6v s THR 21 Ca 0.00 -0.12 -0.12 0.00 -1.21 0.00 0.00 61.69 60.24 1l6v s THR 21 Cb 0.00 -0.95 -0.06 0.00 -1.51 0.00 0.00 72.50 69.99 1l6v s THR 21 CO 0.00 -0.07 0.40 -1.59 -2.21 0.00 0.00 174.62 171.15 1l6v s LYS 22 N -1.74 3.82 0.37 7.08 0.00 -1.26 -0.95 119.74 127.06 1l6v s LYS 22 Ca -0.09 0.27 0.04 0.00 0.00 0.00 0.00 55.97 56.19 1l6v s LYS 22 Cb -0.01 -3.09 -0.05 0.00 0.00 0.00 0.00 37.83 34.69 1l6v s LYS 22 CO 0.04 0.62 0.08 0.20 0.00 0.00 0.00 175.35 176.29 1l6v s GLY 23 N -1.46 2.34 -0.10 0.59 0.00 0.53 -4.77 107.32 104.45 1l6v s GLY 23 Ca 0.29 -1.64 0.04 0.00 0.00 0.00 0.00 44.72 43.40 1l6v s GLY 23 CO 0.16 -1.85 -0.23 0.54 0.00 0.00 0.00 173.10 171.72 1l6v s LYS 24 N -3.83 2.91 -0.26 2.90 1.02 -1.26 0.96 119.74 122.19 1l6v s LYS 24 Ca 0.30 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 55.15 1l6v s LYS 24 Cb 0.06 -2.23 -0.07 0.00 -0.52 0.00 0.00 37.83 35.07 1l6v s LYS 24 CO 0.14 0.14 2.21 1.51 -0.92 0.00 0.00 175.35 178.43 1l6v n ILE 25 N 3.62 0.30 0.00 2.17 3.06 -1.01 -0.35 119.36 127.15 1l6v n ILE 25 Ca -0.19 -0.39 0.00 0.00 -2.50 0.00 0.00 62.75 59.67 1l6v n ILE 25 Cb 0.53 -2.25 0.00 0.00 0.54 0.00 0.00 39.64 38.46 1l6v n ILE 25 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1l6v n GLY 26 N 5.99 1.21 3.28 4.50 0.00 -1.23 -4.78 105.19 114.15 1l6v n GLY 26 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.56 -3.65 1.61 5.75 0.52 -4.66 116.55 113.57 1l6v n ASP 27 Ca 0.00 -0.28 -0.01 0.00 -0.01 0.00 0.00 54.79 54.49 1l6v n ASP 27 Cb 0.00 -1.01 -0.00 0.00 -1.03 0.00 0.00 41.12 39.08 1l6v n ASP 27 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1l6v s SER 28 N -2.15 -0.09 -1.06 -1.12 0.15 -1.26 -3.84 113.70 104.32 1l6v s SER 28 Ca 0.58 -0.33 -0.15 0.00 0.70 0.00 0.00 55.95 56.75 1l6v s SER 28 Cb -0.15 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 1l6v s SER 28 CO 0.61 -0.65 0.80 0.18 1.20 0.00 0.00 173.24 175.37 1l6v n LEU 29 N -0.55 -3.64 0.00 3.45 4.32 -1.14 -3.58 117.00 115.86 1l6v n LEU 29 Ca -0.06 -0.87 0.00 0.00 -0.02 0.00 0.00 56.01 55.06 1l6v n LEU 29 Cb 0.61 -2.57 0.00 0.00 -1.62 0.00 0.00 43.42 39.84 1l6v n LEU 29 CO 0.14 0.25 0.00 0.18 -1.22 0.00 0.00 177.39 176.75 1l6v n LEU 30 N -3.70 0.00 0.00 2.23 7.99 -1.20 -4.90 117.00 117.43 1l6v n LEU 30 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 1l6v n LEU 30 Cb 0.59 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1l6v n LEU 30 CO 0.64 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.85 1l6v n ASP 31 N 2.27 -2.47 0.00 -1.43 -0.08 -1.24 -4.54 116.55 109.07 1l6v n ASP 31 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1l6v n ASP 31 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 -0.41 0.00 -0.34 5.18 0.31 -1.26 -1.87 118.33 119.94 1l6v n VAL 32 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 1l6v n VAL 32 Cb 0.00 0.00 0.35 0.00 -0.91 0.00 0.00 33.84 33.28 1l6v n VAL 32 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1l6v n VAL 33 N 0.00 -0.41 -0.06 2.52 3.14 -1.26 -0.15 118.33 122.10 1l6v n VAL 33 Ca 0.00 2.13 -0.12 0.00 -2.96 0.00 0.00 64.34 63.40 1l6v n VAL 33 Cb 0.00 -3.19 -0.11 0.00 -1.06 0.00 0.00 33.84 29.48 1l6v n VAL 33 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1l6v h VAL 34 N 0.00 1.47 -1.75 1.55 2.07 -1.69 1.96 116.25 119.86 1l6v h VAL 34 Ca 0.65 -2.04 0.53 0.00 0.82 0.00 0.00 66.70 66.66 1l6v h VAL 34 Cb 1.44 2.75 -0.09 0.00 -1.52 0.00 0.00 31.29 33.87 1l6v h VAL 34 CO -0.89 0.49 1.23 1.67 0.02 0.00 0.00 177.57 180.09 1l6v n GLN 35 N -4.66 -0.01 -0.05 1.57 0.00 0.78 0.72 117.38 115.74 1l6v n GLN 35 Ca -0.08 1.08 -0.05 0.00 -0.00 0.00 0.00 57.00 57.94 1l6v n GLN 35 Cb 0.39 -2.38 -0.07 0.00 0.00 0.00 0.00 30.24 28.17 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 -4.03 2.67 -0.06 1.69 2.85 0.64 -4.95 115.26 114.07 1l6v n ASN 36 Ca 0.42 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1l6v n ASN 36 Cb 1.82 0.62 0.00 0.00 1.24 0.00 0.00 39.78 43.46 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 -2.42 -0.67 -2.81 1.20 5.15 0.51 -4.96 115.26 111.26 1l6v n ASN 37 Ca -0.16 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.47 1l6v n ASN 37 Cb 0.80 -0.28 -0.04 0.00 -0.53 0.00 0.00 39.78 39.74 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 -0.06 -0.25 -3.55 1.20 -0.00 0.54 -4.62 117.00 110.26 1l6v n LEU 38 Ca 0.00 0.72 -0.39 0.00 -0.00 0.00 0.00 56.01 56.34 1l6v n LEU 38 Cb 0.28 -0.58 -0.03 0.00 -0.00 0.00 0.00 43.42 43.09 1l6v n LEU 38 CO 0.00 -1.42 2.50 -0.67 -0.00 0.00 0.00 177.39 177.80 1l6v n ASP 39 N 1.04 4.06 -3.43 1.96 -0.08 -1.26 -4.66 116.55 114.18 1l6v n ASP 39 Ca 0.12 -2.67 -0.24 0.00 -1.51 0.00 0.00 54.79 50.50 1l6v n ASP 39 Cb 0.08 -1.35 -0.11 0.00 2.34 0.00 0.00 41.12 42.09 1l6v n ASP 39 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1l6v s ILE 40 N 3.82 -0.11 0.83 5.18 1.01 -1.26 -4.95 121.20 125.71 1l6v s ILE 40 Ca 0.52 -1.21 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 1l6v s ILE 40 Cb 0.14 -0.94 0.07 0.00 0.01 0.00 0.00 42.46 41.75 1l6v s ILE 40 CO 0.00 -0.77 1.04 -0.67 0.00 0.00 0.00 174.94 174.55 1l6v n ASP 41 N 4.41 0.38 0.00 3.58 2.03 -1.26 -2.58 116.55 123.11 1l6v n ASP 41 Ca 0.08 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1l6v n ASP 41 Cb 0.41 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 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 0.74 2.85 2.99 0.27 0.00 -1.26 -4.96 105.19 105.83 1l6v n GLY 42 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.36 0.58 -0.82 1.61 -1.74 -1.07 -4.14 117.46 111.52 1l6v n PHE 43 Ca 0.00 0.39 0.10 0.00 -0.56 0.00 0.00 57.45 57.38 1l6v n PHE 43 Cb 0.00 -2.05 -0.03 0.00 1.52 0.00 0.00 39.48 38.92 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 5.78 -1.09 0.00 4.97 0.00 -1.26 -4.89 105.19 108.70 1l6v n GLY 44 Ca 0.55 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.86 0.00 0.00 4.61 0.00 -1.26 -4.84 120.51 117.17 1l6v n ALA 45 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1l6v n ALA 45 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 0.62 -3.48 0.00 1.02 -1.26 -4.77 120.64 112.77 1l6v n GLU 47 Ca 0.00 -1.13 -0.19 0.00 -0.02 0.00 0.00 57.16 55.82 1l6v n GLU 47 Cb 0.00 -2.47 -0.05 0.00 -0.02 0.00 0.00 31.44 28.90 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 4.48 -0.10 0.00 0.62 0.00 -1.26 -4.70 105.19 104.23 1l6v n GLY 48 Ca 0.36 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1l6v n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1l6v n THR 49 N -2.95 0.70 -2.28 2.61 5.66 -1.26 -4.76 114.28 112.00 1l6v n THR 49 Ca -0.14 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.10 1l6v n THR 49 Cb 0.37 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 1l6v n THR 49 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1l6v n LEU 50 N -0.35 -5.41 0.00 1.09 4.77 -1.26 -4.95 117.00 110.89 1l6v n LEU 50 Ca 0.00 2.57 0.00 0.00 -0.03 0.00 0.00 56.01 58.55 1l6v n LEU 50 Cb 0.26 -2.94 0.00 0.00 -2.33 0.00 0.00 43.42 38.40 1l6v n LEU 50 CO 0.00 -2.61 0.00 0.00 -1.33 0.00 0.00 177.39 173.45 1l6v n ALA 51 N 1.89 0.00 0.03 -1.18 0.00 -1.26 -4.97 120.51 115.02 1l6v n ALA 51 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1l6v n ALA 51 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 -4.19 -7.84 0.00 0.00 3.41 -1.26 -4.94 113.62 98.80 1l6v n SER 53 Ca -0.13 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1l6v n SER 53 Cb 0.76 -5.29 0.00 0.00 -0.26 0.00 0.00 64.21 59.42 1l6v n SER 53 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1l6v n THR 54 N -0.96 0.00 0.00 6.66 -2.24 -1.26 -5.07 114.28 111.42 1l6v n THR 54 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1l6v n THR 54 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.63 -1.31 -3.60 0.00 -0.00 -1.26 -4.88 115.22 103.54 1l6v n HIS 56 Ca 0.00 0.72 -0.06 0.00 -0.00 0.00 0.00 57.72 58.37 1l6v n HIS 56 Cb 0.00 -1.36 -0.02 0.00 -0.00 0.00 0.00 29.99 28.61 1l6v n HIS 56 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1l6v s LEU 57 N -4.17 -0.29 -0.31 0.27 1.02 -0.68 -4.83 118.68 109.69 1l6v s LEU 57 Ca 0.00 -0.15 -0.29 0.00 0.02 0.00 0.00 54.13 53.71 1l6v s LEU 57 Cb 0.00 2.06 0.01 0.00 0.02 0.00 0.00 46.19 48.29 1l6v s LEU 57 CO 0.00 -0.72 1.14 -0.63 0.02 0.00 0.00 176.35 176.16 1l6v s ILE 58 N -3.17 4.40 -0.00 -0.59 1.01 0.63 -0.67 121.20 122.80 1l6v s ILE 58 Ca 0.08 1.61 0.07 0.00 0.00 0.00 0.00 60.65 62.41 1l6v s ILE 58 Cb -0.01 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1l6v s ILE 58 CO -0.05 -0.46 -0.21 -0.36 0.00 0.00 0.00 174.94 173.86 1l6v s PHE 59 N 3.83 2.50 -0.25 3.97 0.08 -0.60 -1.49 117.98 126.01 1l6v s PHE 59 Ca 0.49 -0.31 -0.23 0.00 0.12 0.00 0.00 56.93 57.00 1l6v s PHE 59 Cb -0.14 -1.52 -0.10 0.00 -0.57 0.00 0.00 43.02 40.70 1l6v s PHE 59 CO 0.17 0.12 1.02 0.39 -0.10 0.00 0.00 175.22 176.83 1l6v n GLU 60 N 2.09 0.00 -0.29 0.44 -0.58 -1.26 -3.93 120.64 117.11 1l6v n GLU 60 Ca -0.16 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.68 1l6v n GLU 60 Cb 0.52 -0.76 0.27 0.00 -0.57 0.00 0.00 31.44 30.89 1l6v n GLU 60 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1l6v h GLN 61 N 4.07 0.34 0.00 3.49 3.07 -1.79 2.26 115.11 126.55 1l6v h GLN 61 Ca -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.63 1l6v h GLN 61 Cb 0.71 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1l6v h GLN 61 CO 0.54 0.22 0.00 1.58 0.09 0.00 0.00 178.83 181.26 1l6v n HIS 62 N -5.09 0.00 -0.11 0.06 -0.00 -1.26 0.96 115.22 109.78 1l6v n HIS 62 Ca 0.20 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.19 1l6v n HIS 62 Cb 0.59 -0.49 -0.09 0.00 -0.12 0.00 0.00 29.99 29.89 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 -1.49 1.21 -0.02 3.57 2.08 0.73 -4.55 119.36 120.89 1l6v n ILE 63 Ca 0.00 -0.40 -0.00 0.00 0.56 0.00 0.00 62.75 62.91 1l6v n ILE 63 Cb 0.02 -1.46 -0.00 0.00 -0.75 0.00 0.00 39.64 37.45 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 -0.32 0.00 -0.37 1.39 3.57 0.42 -3.35 116.94 118.28 1l6v h PHE 64 Ca -0.51 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.14 1l6v h PHE 64 Cb 1.63 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.30 1l6v h PHE 64 CO -0.01 0.00 0.15 0.39 -2.23 0.00 0.00 178.31 176.61 1l6v n GLU 65 N -3.21 -0.02 -1.11 1.11 -0.58 0.27 0.86 120.64 117.96 1l6v n GLU 65 Ca -0.00 0.53 -0.25 0.00 -0.42 0.00 0.00 57.16 57.02 1l6v n GLU 65 Cb 0.01 -0.91 -0.10 0.00 -0.57 0.00 0.00 31.44 29.87 1l6v n GLU 65 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1l6v n LYS 66 N -3.98 2.75 -3.60 3.49 2.85 -1.25 -4.72 118.16 113.71 1l6v n LYS 66 Ca 0.13 -1.55 -0.07 0.00 -1.05 0.00 0.00 58.31 55.77 1l6v n LYS 66 Cb 0.43 -2.38 -0.05 0.00 -0.65 0.00 0.00 35.03 32.38 1l6v n LYS 66 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1l6v s LEU 67 N 0.08 -0.23 -0.41 -5.58 0.05 0.25 -5.00 118.68 107.84 1l6v s LEU 67 Ca 0.66 0.25 -0.43 0.00 0.05 0.00 0.00 54.13 54.66 1l6v s LEU 67 Cb 0.24 1.53 -0.17 0.00 -2.05 0.00 0.00 46.19 45.74 1l6v s LEU 67 CO -0.03 -0.21 1.83 -0.62 -0.55 0.00 0.00 176.35 176.77 1l6v n GLU 68 N 0.64 0.52 -1.29 1.48 1.02 -1.26 -4.92 120.64 116.82 1l6v n GLU 68 Ca -0.06 0.18 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 1l6v n GLU 68 Cb 0.58 -1.82 0.06 0.00 -0.02 0.00 0.00 31.44 30.25 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 5.86 -0.12 -0.44 0.62 0.00 -1.26 -4.96 120.51 120.20 1l6v n ALA 69 Ca 0.35 -0.83 0.03 0.00 0.00 0.00 0.00 53.44 53.00 1l6v n ALA 69 Cb 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 1l6v n ALA 69 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1l6v n ILE 70 N -2.24 0.00 -4.59 0.00 3.06 -1.26 -4.91 119.36 109.42 1l6v n ILE 70 Ca 0.07 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 60.05 1l6v n ILE 70 Cb 0.26 -0.07 -0.09 0.00 0.54 0.00 0.00 39.64 40.28 1l6v n ILE 70 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1l6v s THR 71 N -0.54 1.08 0.08 9.51 2.01 -1.26 -4.69 115.64 121.82 1l6v s THR 71 Ca 0.00 -2.00 -0.17 0.00 0.31 0.00 0.00 61.69 59.83 1l6v s THR 71 Cb 0.00 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 1l6v s THR 71 CO 0.00 0.00 1.30 -0.78 -0.69 0.00 0.00 174.62 174.45 1l6v h ASP 72 N 1.73 -1.10 0.00 3.53 1.82 -1.95 0.92 116.42 121.36 1l6v h ASP 72 Ca -0.40 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1l6v h ASP 72 Cb 1.27 0.47 0.00 0.00 0.68 0.00 0.00 39.33 41.76 1l6v h ASP 72 CO 0.68 -0.17 0.00 -0.62 -1.61 0.00 0.00 179.24 177.52 1l6v n GLU 73 N -4.19 0.94 -3.53 0.28 1.02 -1.26 -4.67 120.64 109.23 1l6v n GLU 73 Ca -0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1l6v n GLU 73 Cb 0.16 -1.03 0.08 0.00 -0.02 0.00 0.00 31.44 30.63 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 1.15 -7.46 0.00 3.49 -0.58 0.31 -3.48 120.64 114.08 1l6v n GLU 74 Ca 0.00 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1l6v n GLU 74 Cb 0.47 -5.80 0.00 0.00 -0.57 0.00 0.00 31.44 25.54 1l6v n GLU 74 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1l6v n ASN 75 N -2.95 0.00 -0.11 1.62 6.94 -1.05 -4.48 115.26 115.24 1l6v n ASN 75 Ca -0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.47 1l6v n ASN 75 Cb 0.59 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.98 1l6v n ASN 75 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1l6v n ASP 76 N 0.00 -0.27 -2.62 0.53 2.03 -1.23 -0.01 116.55 114.99 1l6v n ASP 76 Ca 0.00 1.11 -0.33 0.00 0.52 0.00 0.00 54.79 56.09 1l6v n ASP 76 Cb 0.00 -0.39 0.01 0.00 -0.72 0.00 0.00 41.12 40.03 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 -3.54 2.55 0.00 -0.67 1.56 -1.26 -4.97 117.12 110.79 1l6v n MET 77 Ca 0.01 -2.95 0.00 0.00 -0.27 0.00 0.00 57.70 54.49 1l6v n MET 77 Cb 0.07 -2.18 0.00 0.00 2.15 0.00 0.00 33.22 33.26 1l6v n MET 77 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1l6v n LEU 78 N -0.06 0.00 -0.01 -0.89 -0.00 0.99 -4.97 117.00 112.07 1l6v n LEU 78 Ca 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.56 1l6v n LEU 78 Cb 0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.78 1l6v n LEU 78 CO 0.48 -0.63 -0.60 -0.67 -0.00 0.00 0.00 177.39 175.97 1l6v n ASP 79 N -0.37 3.31 -2.47 1.45 -0.08 -1.26 -4.98 116.55 112.15 1l6v n ASP 79 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 1l6v n ASP 79 Cb 0.00 1.29 -0.00 0.00 2.34 0.00 0.00 41.12 44.75 1l6v n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1l6v n LEU 80 N -1.79 -0.77 -3.88 -2.67 -0.00 -1.26 -4.87 117.00 101.77 1l6v n LEU 80 Ca -0.02 0.29 -0.30 0.00 -0.00 0.00 0.00 56.01 55.99 1l6v n LEU 80 Cb 0.23 -1.76 -0.14 0.00 -0.00 0.00 0.00 43.42 41.75 1l6v n LEU 80 CO 0.15 -0.08 -0.19 0.00 -0.00 0.00 0.00 177.39 177.27 1l6v s ALA 81 N -2.41 2.99 0.33 1.47 0.00 -1.26 -5.07 121.76 117.81 1l6v s ALA 81 Ca 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 48.86 1l6v s ALA 81 Cb -0.00 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1l6v s ALA 81 CO 0.00 -2.04 0.00 0.98 0.00 0.00 0.00 175.76 174.71 1l6v n TYR 82 N 3.18 -2.78 -0.31 0.00 9.36 -1.26 -3.83 117.16 121.52 1l6v n TYR 82 Ca 0.07 1.44 0.01 0.00 3.32 0.00 0.00 57.90 62.73 1l6v n TYR 82 Cb 0.33 -2.53 0.05 0.00 -0.63 0.00 0.00 39.34 36.56 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 -3.58 -1.60 7.00 2.98 0.00 -1.26 -4.76 105.19 103.97 1l6v n GLY 83 Ca -0.02 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 -5.23 0.00 0.00 0.99 -0.00 -1.25 -4.80 117.00 106.71 1l6v n LEU 84 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1l6v n LEU 84 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1l6v n LEU 84 CO -0.11 -0.00 0.00 0.35 -0.00 0.00 0.00 177.39 177.63 1l6v n THR 85 N 0.00 0.00 -0.80 1.47 -2.24 -1.26 -4.78 114.28 106.67 1l6v n THR 85 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1l6v n THR 85 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1l6v n THR 85 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1l6v n ASP 86 N -3.43 -1.68 0.00 3.42 8.00 -1.26 -3.74 116.55 117.86 1l6v n ASP 86 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1l6v n ASP 86 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 41.12 39.28 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 -1.49 0.00 -1.29 -1.24 1.85 -1.26 -4.48 116.66 108.74 1l6v n ARG 87 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1l6v n ARG 87 Cb 0.11 0.00 0.12 0.00 -1.05 0.00 0.00 32.46 31.64 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 -0.48 3.83 0.08 2.89 0.15 -1.25 -1.55 113.70 117.37 1l6v s SER 88 Ca 0.00 1.48 -0.27 0.00 0.70 0.00 0.00 55.95 57.87 1l6v s SER 88 Cb 0.00 -2.18 0.08 0.00 -1.71 0.00 0.00 66.02 62.21 1l6v s SER 88 CO 0.00 -2.41 0.92 -0.60 1.20 0.00 0.00 173.24 172.34 1l6v s ARG 89 N -4.98 1.02 0.71 5.44 3.00 0.15 -4.74 118.95 119.55 1l6v s ARG 89 Ca 0.63 -0.48 -0.16 0.00 -1.00 0.00 0.00 55.73 54.71 1l6v s ARG 89 Cb -0.17 0.40 0.02 0.00 0.00 0.00 0.00 34.95 35.20 1l6v s ARG 89 CO 0.56 -0.46 1.18 -0.11 0.00 0.00 0.00 175.30 176.47 1l6v n LEU 90 N -0.36 4.88 -3.20 -0.88 7.94 -1.26 -1.68 117.00 122.44 1l6v n LEU 90 Ca -0.08 0.71 -0.24 0.00 -1.11 0.00 0.00 56.01 55.30 1l6v n LEU 90 Cb 0.61 -1.50 -0.07 0.00 0.53 0.00 0.00 43.42 43.00 1l6v n LEU 90 CO 0.12 -1.48 -0.26 0.61 -1.11 0.00 0.00 177.39 175.26 1l6v n GLY 91 N 0.86 3.09 0.21 -3.96 0.00 -1.26 -4.62 105.19 99.52 1l6v n GLY 91 Ca 0.14 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.34 0.62 -2.21 0.00 6.02 -1.26 -2.87 117.38 116.34 1l6v n GLN 93 Ca 0.00 0.48 -0.41 0.00 -0.01 0.00 0.00 57.00 57.06 1l6v n GLN 93 Cb 0.00 -1.73 -0.03 0.00 1.02 0.00 0.00 30.24 29.51 1l6v n GLN 93 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1l6v s ILE 94 N -2.43 3.58 0.96 5.09 -5.25 -1.26 -4.91 121.20 116.98 1l6v s ILE 94 Ca -0.27 0.47 -0.12 0.00 -0.99 0.00 0.00 60.65 59.74 1l6v s ILE 94 Cb 0.06 -4.14 0.09 0.00 2.95 0.00 0.00 42.46 41.42 1l6v s ILE 94 CO 0.64 -0.97 0.69 0.00 -1.79 0.00 0.00 174.94 173.51 1l6v n LEU 96 N -2.58 -1.67 -3.85 0.00 4.77 -1.25 -4.79 117.00 107.64 1l6v n LEU 96 Ca 0.08 -0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 55.62 1l6v n LEU 96 Cb 0.53 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 1l6v n LEU 96 CO 0.50 -3.58 0.29 -0.89 -1.33 0.00 0.00 177.39 172.38 1l6v s THR 97 N -2.27 0.01 0.15 -5.08 2.01 -1.26 -3.57 115.64 105.63 1l6v s THR 97 Ca 0.63 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1l6v s THR 97 Cb -0.19 -1.86 -0.16 0.00 0.01 0.00 0.00 72.50 70.30 1l6v s THR 97 CO 0.62 -0.06 1.36 0.50 -0.69 0.00 0.00 174.62 176.35 1l6v h LYS 98 N 2.17 0.23 0.00 4.92 1.63 -1.98 -2.89 116.57 120.65 1l6v h LYS 98 Ca -0.26 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.28 1l6v h LYS 98 Cb 1.26 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1l6v h LYS 98 CO 0.34 0.99 -0.03 0.00 -3.45 0.00 0.00 179.45 177.29 1l6v h ALA 99 N 0.92 1.26 -0.01 5.00 0.00 -1.96 0.20 119.26 124.67 1l6v h ALA 99 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1l6v h ALA 99 Cb 1.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1l6v h ALA 99 CO 0.14 0.04 -0.32 -1.33 0.00 0.00 0.00 179.25 177.78 1l6v n MET 100 N -3.50 1.13 -1.53 0.00 2.81 -1.10 -4.79 117.12 110.14 1l6v n MET 100 Ca -0.02 -0.82 -0.37 0.00 -1.81 0.00 0.00 57.70 54.67 1l6v n MET 100 Cb 0.13 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 31.08 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 -0.22 1.41 -0.50 7.83 2.03 0.70 0.11 116.55 127.92 1l6v n ASP 101 Ca 0.11 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1l6v n ASP 101 Cb 0.41 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 13.66 -1.71 -4.87 1.67 5.15 0.54 -4.83 115.26 124.86 1l6v n ASN 102 Ca 0.50 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 54.15 1l6v n ASN 102 Cb 0.33 -0.43 -0.05 0.00 -0.53 0.00 0.00 39.78 39.10 1l6v n ASN 102 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1l6v s MET 103 N -4.11 3.79 -0.49 1.20 0.23 0.31 -4.81 119.30 115.41 1l6v s MET 103 Ca 0.00 0.23 -0.18 0.00 -1.03 0.00 0.00 55.69 54.71 1l6v s MET 103 Cb 0.00 -2.73 0.06 0.00 -1.53 0.00 0.00 34.83 30.63 1l6v s MET 103 CO 0.00 0.38 0.54 0.99 -2.03 0.00 0.00 175.02 174.90 1l6v s THR 104 N -1.72 5.01 -0.26 3.16 2.01 -1.26 0.66 115.64 123.23 1l6v s THR 104 Ca 0.44 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.57 1l6v s THR 104 Cb -0.12 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1l6v s THR 104 CO 0.21 -0.72 0.52 0.68 -0.69 0.00 0.00 174.62 174.62 1l6v s VAL 105 N 2.27 5.07 -0.04 3.82 -7.23 0.34 -4.06 120.40 120.57 1l6v s VAL 105 Ca 0.11 0.89 0.05 0.00 -1.81 0.00 0.00 61.98 61.22 1l6v s VAL 105 Cb -0.21 -3.83 -0.01 0.00 0.56 0.00 0.00 36.38 32.89 1l6v s VAL 105 CO 0.10 0.09 -0.19 -0.60 -0.31 0.00 0.00 175.10 174.19 1l6v s ARG 106 N 2.31 1.86 -0.08 4.82 3.00 -0.56 -0.49 118.95 129.81 1l6v s ARG 106 Ca 0.21 -0.67 0.04 0.00 -1.00 0.00 0.00 55.73 54.31 1l6v s ARG 106 Cb -0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 34.95 33.15 1l6v s ARG 106 CO 0.09 0.30 -0.22 0.54 0.00 0.00 0.00 175.30 176.01 1l6v s VAL 107 N -0.09 2.29 -1.23 7.11 0.11 -1.26 0.23 120.40 127.57 1l6v s VAL 107 Ca -0.02 -0.96 0.22 0.00 -2.93 0.00 0.00 61.98 58.29 1l6v s VAL 107 Cb -0.11 -1.87 0.29 0.00 -1.53 0.00 0.00 36.38 33.16 1l6v s VAL 107 CO 0.02 0.56 1.71 -0.81 -3.33 0.00 0.00 175.10 173.25 1l6v n PRO 108 N 3.19 0.17 -2.06 1.54 -0.04 -1.26 -4.85 135.00 131.69 1l6v n PRO 108 Ca -0.18 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1l6v n PRO 108 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1l6v n PRO 108 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1l6v n ASP 109 N -1.39 -8.87 0.00 3.54 2.03 -1.26 -5.11 116.55 105.50 1l6v n ASP 109 Ca 0.08 1.38 0.00 0.00 0.52 0.00 0.00 54.79 56.77 1l6v n ASP 109 Cb 0.21 -5.00 0.00 0.00 -0.72 0.00 0.00 41.12 35.61 1l6v n ASP 109 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28