#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3v s ILE 1 N 0.00 5.14 -0.05 3.17 1.09 -1.26 -5.09 121.20 124.20 3d3v s ILE 1 Ca 0.00 0.51 0.02 0.00 -1.10 0.00 0.00 60.65 60.08 3d3v s ILE 1 Cb 0.00 -3.63 0.01 0.00 -1.06 0.00 0.00 42.46 37.78 3d3v s ILE 1 CO 0.00 0.42 -0.09 -1.10 -0.10 0.00 0.00 174.94 174.08 3d3v s GLN 2 N -1.54 1.22 0.00 2.79 -0.21 -1.26 -4.52 119.66 116.13 3d3v s GLN 2 Ca 0.28 -0.27 0.06 0.00 0.02 0.00 0.00 55.36 55.45 3d3v s GLN 2 Cb -0.15 -1.08 -0.02 0.00 1.00 0.00 0.00 33.01 32.76 3d3v s GLN 2 CO 0.15 0.00 -0.20 1.03 -2.12 0.00 0.00 175.29 174.16 3d3v s ARG 3 N 0.66 1.53 0.29 2.91 0.52 0.06 -4.86 118.95 120.05 3d3v s ARG 3 Ca -0.11 -0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 54.04 3d3v s ARG 3 Cb -0.14 -1.52 -0.09 0.00 0.52 0.00 0.00 34.95 33.72 3d3v s ARG 3 CO 0.02 0.41 0.96 0.99 0.02 0.00 0.00 175.30 177.70 3d3v s THR 4 N -0.56 4.05 0.59 0.02 2.01 -1.26 -1.93 115.64 118.55 3d3v s THR 4 Ca 0.07 1.89 -0.14 0.00 0.31 0.00 0.00 61.69 63.82 3d3v s THR 4 Cb -0.08 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 3d3v s THR 4 CO -0.00 0.32 1.03 -2.84 -0.69 0.00 0.00 174.62 172.44 3d3v s PRO 5 N -1.62 3.53 -0.20 4.92 0.02 -1.26 -4.34 135.00 136.05 3d3v s PRO 5 Ca 0.46 0.97 -0.09 0.00 0.02 0.00 0.00 61.00 62.36 3d3v s PRO 5 Cb -0.23 -2.07 -0.05 0.00 0.02 0.00 0.00 34.50 32.17 3d3v s PRO 5 CO 0.29 -0.62 0.11 0.15 -0.33 0.00 0.00 177.00 176.60 3d3v s LYS 6 N -4.50 4.09 -0.14 5.54 1.02 0.78 -4.92 119.74 121.60 3d3v s LYS 6 Ca 0.59 -0.28 -0.00 0.00 0.02 0.00 0.00 55.97 56.30 3d3v s LYS 6 Cb -0.12 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 3d3v s LYS 6 CO 0.42 0.26 -0.13 0.42 -0.92 0.00 0.00 175.35 175.40 3d3v s ILE 7 N 0.45 2.98 -0.09 2.17 1.01 -1.26 -1.32 121.20 125.14 3d3v s ILE 7 Ca 0.06 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3d3v s ILE 7 Cb -0.12 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.10 3d3v s ILE 7 CO -0.00 0.51 -0.13 -1.10 0.00 0.00 0.00 174.94 174.22 3d3v s GLN 8 N 0.56 1.91 -0.20 2.79 -0.21 -0.06 -4.99 119.66 119.46 3d3v s GLN 8 Ca -0.08 -0.46 -0.03 0.00 0.02 0.00 0.00 55.36 54.82 3d3v s GLN 8 Cb -0.16 -1.65 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 3d3v s GLN 8 CO 0.03 -0.05 -0.08 0.08 -2.12 0.00 0.00 175.29 173.15 3d3v s VAL 9 N 0.96 3.13 0.34 1.09 1.01 -1.26 -0.85 120.40 124.81 3d3v s VAL 9 Ca -0.08 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 3d3v s VAL 9 Cb -0.15 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 33.89 3d3v s VAL 9 CO -0.00 0.46 0.68 0.00 0.00 0.00 0.00 175.10 176.24 3d3v n TYR 10 N 4.55 -2.18 -4.39 5.22 4.11 -0.33 -4.42 117.16 119.71 3d3v n TYR 10 Ca -0.19 -1.61 -0.29 0.00 -0.00 0.00 0.00 57.90 55.81 3d3v n TYR 10 Cb 0.51 0.80 -0.13 0.00 -0.00 0.00 0.00 39.34 40.52 3d3v n TYR 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 3d3v s SER 11 N -2.79 3.32 0.15 9.48 1.04 -1.26 0.11 113.70 123.75 3d3v s SER 11 Ca 0.14 -0.76 -0.08 0.00 0.48 0.00 0.00 55.95 55.73 3d3v s SER 11 Cb -0.04 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.86 3d3v s SER 11 CO 0.10 0.17 1.46 -0.09 0.98 0.00 0.00 173.24 175.86 3d3v h ARG 12 N 3.82 0.76 -6.02 4.02 2.43 -1.63 -3.44 114.38 114.32 3d3v h ARG 12 Ca -0.50 -0.47 -0.59 0.00 -0.81 0.00 0.00 59.98 57.61 3d3v h ARG 12 Cb 1.17 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.66 3d3v h ARG 12 CO 0.40 1.10 -0.63 -1.01 -1.51 0.00 0.00 179.97 178.32 3d3v s HIS 13 N -4.11 2.53 0.32 2.20 3.76 -1.26 -5.05 115.29 113.67 3d3v s HIS 13 Ca -0.09 -0.43 -0.29 0.00 -0.15 0.00 0.00 55.06 54.09 3d3v s HIS 13 Cb 0.11 -1.45 -0.12 0.00 1.11 0.00 0.00 32.58 32.22 3d3v s HIS 13 CO 0.87 0.50 1.46 -2.30 -0.85 0.00 0.00 174.74 174.42 3d3v n PRO 14 N -0.93 2.43 -2.74 8.40 -0.02 -1.26 -4.96 135.00 135.92 3d3v n PRO 14 Ca -0.04 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 3d3v n PRO 14 Cb 0.62 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3d3v n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d3v s ALA 15 N -0.58 3.19 -0.01 3.55 0.00 -1.26 -5.05 121.76 121.60 3d3v s ALA 15 Ca 0.60 0.51 0.01 0.00 0.00 0.00 0.00 51.96 53.07 3d3v s ALA 15 Cb -0.54 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.30 3d3v s ALA 15 CO 0.56 -0.19 -0.02 -1.21 0.00 0.00 0.00 175.76 174.91 3d3v s GLU 16 N 0.84 0.25 -0.73 0.00 2.02 -1.26 -5.10 118.70 114.71 3d3v s GLU 16 Ca 0.50 -0.05 -0.26 0.00 0.02 0.00 0.00 54.97 55.18 3d3v s GLU 16 Cb -0.21 -0.29 -0.03 0.00 0.10 0.00 0.00 34.13 33.70 3d3v s GLU 16 CO 0.27 0.01 1.85 -0.80 0.02 0.00 0.00 175.26 176.62 3d3v s ASN 17 N 0.22 5.30 0.00 -0.19 0.01 -1.26 -2.25 114.94 116.77 3d3v s ASN 17 Ca -0.02 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 3d3v s ASN 17 Cb -0.04 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3d3v s ASN 17 CO -0.01 -2.46 0.00 0.61 -1.51 0.00 0.00 177.10 173.74 3d3v n GLY 18 N 6.12 0.63 3.77 0.66 0.00 -1.20 -4.98 105.19 110.19 3d3v n GLY 18 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 3d3v n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3v s LYS 19 N 0.00 4.08 0.33 1.61 -0.14 -0.96 -5.05 119.74 119.61 3d3v s LYS 19 Ca 0.00 0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 54.39 3d3v s LYS 19 Cb 0.00 -3.36 -0.10 0.00 -1.68 0.00 0.00 37.83 32.69 3d3v s LYS 19 CO 0.00 0.39 1.32 0.45 -0.76 0.00 0.00 175.35 176.76 3d3v s SER 20 N 0.02 6.74 0.37 2.83 0.15 -1.26 -4.42 113.70 118.13 3d3v s SER 20 Ca 0.16 2.70 -0.16 0.00 0.70 0.00 0.00 55.95 59.36 3d3v s SER 20 Cb -0.13 -2.65 0.06 0.00 -1.71 0.00 0.00 66.02 61.59 3d3v s SER 20 CO 0.04 -0.56 0.83 0.21 1.20 0.00 0.00 173.24 174.96 3d3v s ASN 21 N -0.40 0.03 -0.02 5.45 2.47 -0.94 -5.04 114.94 116.48 3d3v s ASN 21 Ca 0.50 -1.14 0.03 0.00 0.42 0.00 0.00 52.86 52.67 3d3v s ASN 21 Cb -0.40 0.82 -0.00 0.00 -1.45 0.00 0.00 41.25 40.21 3d3v s ASN 21 CO 0.53 -1.63 -0.09 -0.36 -3.72 0.00 0.00 177.10 171.82 3d3v s PHE 22 N -2.12 0.94 -0.21 0.43 0.40 -1.26 -2.16 117.98 114.00 3d3v s PHE 22 Ca 0.17 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.22 3d3v s PHE 22 Cb -0.05 -0.65 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 3d3v s PHE 22 CO 0.11 -0.07 0.02 -1.17 0.70 0.00 0.00 175.22 174.80 3d3v s LEU 23 N 0.06 3.32 -0.01 -0.37 2.96 0.02 -1.42 118.68 123.24 3d3v s LEU 23 Ca -0.01 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3d3v s LEU 23 Cb -0.07 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3d3v s LEU 23 CO 0.00 0.04 -0.01 0.20 -1.32 0.00 0.00 176.35 175.26 3d3v s ASN 24 N 1.13 5.03 -0.17 3.68 0.01 0.30 -1.30 114.94 123.62 3d3v s ASN 24 Ca 0.03 -0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.16 3d3v s ASN 24 Cb -0.14 -1.30 0.04 0.00 0.41 0.00 0.00 41.25 40.26 3d3v s ASN 24 CO 0.02 0.29 -0.08 0.00 -1.51 0.00 0.00 177.10 175.82 3d3v s TYR 26 N 1.55 2.83 -0.12 0.00 5.04 -0.03 -0.47 117.35 126.14 3d3v s TYR 26 Ca 0.01 -1.06 0.02 0.00 -2.44 0.00 0.00 57.07 53.59 3d3v s TYR 26 Cb -0.15 -1.94 -0.01 0.00 0.35 0.00 0.00 41.96 40.21 3d3v s TYR 26 CO -0.08 -0.51 -0.18 0.14 -1.34 0.00 0.00 175.55 173.58 3d3v s VAL 27 N 0.99 2.56 0.02 3.14 -7.23 -0.56 -0.88 120.40 118.44 3d3v s VAL 27 Ca -0.02 -0.83 -0.18 0.00 -1.81 0.00 0.00 61.98 59.14 3d3v s VAL 27 Cb -0.15 -2.04 0.03 0.00 0.56 0.00 0.00 36.38 34.79 3d3v s VAL 27 CO -0.02 0.54 0.40 -0.94 -0.31 0.00 0.00 175.10 174.76 3d3v s SER 28 N 0.44 -0.27 0.00 4.85 1.04 -0.44 -1.41 113.70 117.91 3d3v s SER 28 Ca -0.13 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.35 3d3v s SER 28 Cb -0.17 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3d3v s SER 28 CO 0.06 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.29 3d3v n GLY 29 N 0.73 0.87 3.98 7.32 0.00 -0.54 -0.16 105.19 117.39 3d3v n GLY 29 Ca -0.19 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 3d3v n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d3v s PHE 30 N -2.00 3.10 -0.28 1.61 -0.71 -1.22 -4.32 117.98 114.16 3d3v s PHE 30 Ca 0.00 -0.09 -0.22 0.00 -1.04 0.00 0.00 56.93 55.58 3d3v s PHE 30 Cb 0.00 -2.17 0.10 0.00 -1.21 0.00 0.00 43.02 39.74 3d3v s PHE 30 CO 0.00 -0.21 0.88 -1.58 -1.34 0.00 0.00 175.22 172.97 3d3v s HIS 31 N -2.34 -0.68 0.60 3.49 2.46 -0.81 -1.24 115.29 116.77 3d3v s HIS 31 Ca 0.48 1.54 -0.10 0.00 0.47 0.00 0.00 55.06 57.44 3d3v s HIS 31 Cb -0.10 0.38 0.15 0.00 -0.13 0.00 0.00 32.58 32.88 3d3v s HIS 31 CO 0.34 -0.33 0.53 -0.35 -2.47 0.00 0.00 174.74 172.45 3d3v n PRO 32 N 2.94 -2.09 0.06 2.88 -0.04 -1.26 -0.76 135.00 136.72 3d3v n PRO 32 Ca -0.15 -0.84 -0.09 0.00 -0.04 0.00 0.00 63.50 62.38 3d3v n PRO 32 Cb 0.56 -0.80 0.04 0.00 -0.04 0.00 0.00 33.50 33.27 3d3v n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3d3v h SER 33 N -1.87 0.43 -0.36 3.54 4.64 -2.00 -3.43 113.55 114.49 3d3v h SER 33 Ca -0.20 -0.28 -0.29 0.00 -0.47 0.00 0.00 61.79 60.55 3d3v h SER 33 Cb 0.61 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.52 3d3v h SER 33 CO 0.13 1.01 1.31 0.47 -0.87 0.00 0.00 176.83 178.88 3d3v n ASP 34 N -3.83 0.46 -4.14 4.97 9.92 -1.26 -4.90 116.55 117.76 3d3v n ASP 34 Ca -0.04 -0.69 -0.24 0.00 -0.53 0.00 0.00 54.79 53.29 3d3v n ASP 34 Cb 0.70 -1.12 -0.15 0.00 -0.64 0.00 0.00 41.12 39.91 3d3v n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3d3v s ILE 35 N 8.17 1.28 -0.26 0.53 2.07 -1.26 -4.67 121.20 127.05 3d3v s ILE 35 Ca 1.16 -0.69 -0.04 0.00 -1.41 0.00 0.00 60.65 59.66 3d3v s ILE 35 Cb -0.60 -1.06 0.01 0.00 0.13 0.00 0.00 42.46 40.94 3d3v s ILE 35 CO 0.36 0.36 0.01 -0.70 -1.91 0.00 0.00 174.94 173.06 3d3v s GLU 36 N -0.35 3.04 -0.08 3.50 2.12 -0.24 -4.99 118.70 121.70 3d3v s GLU 36 Ca 0.06 -0.86 -0.00 0.00 0.36 0.00 0.00 54.97 54.52 3d3v s GLU 36 Cb -0.06 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 31.18 3d3v s GLU 36 CO -0.00 -0.39 -0.05 0.08 -0.54 0.00 0.00 175.26 174.36 3d3v s VAL 37 N 1.43 0.71 0.16 3.70 1.01 -1.26 -0.01 120.40 126.14 3d3v s VAL 37 Ca 0.02 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3d3v s VAL 37 Cb -0.16 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3d3v s VAL 37 CO -0.01 0.30 -0.13 -1.81 0.00 0.00 0.00 175.10 173.45 3d3v s ASP 38 N 1.55 2.13 0.09 3.32 1.11 -0.71 -4.98 116.67 119.19 3d3v s ASP 38 Ca 0.00 -0.95 0.04 0.00 0.18 0.00 0.00 52.55 51.81 3d3v s ASP 38 Cb -0.13 -0.07 -0.04 0.00 1.07 0.00 0.00 42.92 43.75 3d3v s ASP 38 CO -0.04 -0.22 0.07 -0.76 1.18 0.00 0.00 175.17 175.40 3d3v s LEU 39 N -3.00 3.74 -0.12 1.23 1.43 -1.26 -1.15 118.68 119.56 3d3v s LEU 39 Ca 0.16 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3d3v s LEU 39 Cb -0.01 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.81 3d3v s LEU 39 CO 0.03 0.16 -0.10 -0.76 0.23 0.00 0.00 176.35 175.91 3d3v s LEU 40 N -2.49 1.36 -0.50 1.79 1.43 0.00 -0.16 118.68 120.12 3d3v s LEU 40 Ca 0.29 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 3d3v s LEU 40 Cb -0.12 -0.92 0.11 0.00 0.03 0.00 0.00 46.19 45.29 3d3v s LEU 40 CO 0.22 -0.08 0.42 -0.75 0.23 0.00 0.00 176.35 176.38 3d3v s LYS 41 N 1.52 2.81 -1.45 1.70 2.20 -0.61 -2.30 119.74 123.61 3d3v s LYS 41 Ca 0.02 -1.64 -0.09 0.00 -0.36 0.00 0.00 55.97 53.90 3d3v s LYS 41 Cb -0.13 -4.12 0.05 0.00 -1.51 0.00 0.00 37.83 32.12 3d3v s LYS 41 CO -0.07 -1.21 0.71 0.09 -0.36 0.00 0.00 175.35 174.51 3d3v n ASN 42 N 5.12 -5.02 0.00 1.43 3.02 -0.62 -2.24 115.26 116.94 3d3v n ASN 42 Ca -0.12 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 3d3v n ASN 42 Cb 0.41 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 3d3v n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d3v n GLY 43 N -1.49 3.08 3.72 7.41 0.00 -1.26 -5.03 105.19 111.62 3d3v n GLY 43 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3d3v n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d3v s GLU 44 N -0.33 4.59 0.20 1.61 2.02 -0.95 -4.97 118.70 120.87 3d3v s GLU 44 Ca 0.00 1.38 -0.32 0.00 0.02 0.00 0.00 54.97 56.05 3d3v s GLU 44 Cb 0.00 -3.43 -0.12 0.00 0.10 0.00 0.00 34.13 30.68 3d3v s GLU 44 CO 0.00 0.04 1.71 0.50 0.02 0.00 0.00 175.26 177.54 3d3v s ARG 45 N 0.67 4.13 -0.13 1.61 3.52 -1.26 -1.58 118.95 125.91 3d3v s ARG 45 Ca 0.49 2.59 -0.23 0.00 -0.13 0.00 0.00 55.73 58.45 3d3v s ARG 45 Cb -0.21 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 3d3v s ARG 45 CO 0.28 -0.75 0.71 0.42 -0.81 0.00 0.00 175.30 175.15 3d3v s ILE 46 N 1.19 5.00 -0.10 4.11 1.01 0.78 -4.88 121.20 128.30 3d3v s ILE 46 Ca 0.75 1.41 -0.28 0.00 0.00 0.00 0.00 60.65 62.52 3d3v s ILE 46 Cb -0.49 -4.03 -0.25 0.00 0.01 0.00 0.00 42.46 37.70 3d3v s ILE 46 CO 0.32 0.15 0.90 -0.33 0.00 0.00 0.00 174.94 175.99 3d3v h GLU 47 N 7.12 0.02 -5.24 2.79 5.08 -1.94 -3.41 114.58 119.00 3d3v h GLU 47 Ca -0.35 -0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 57.29 3d3v h GLU 47 Cb 1.16 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 3d3v h GLU 47 CO 0.78 0.89 2.50 1.17 -1.00 0.00 0.00 179.01 183.35 3d3v n LYS 48 N -4.64 3.09 -3.97 2.33 4.81 -1.26 -4.87 118.16 113.65 3d3v n LYS 48 Ca -0.10 -3.07 -0.30 0.00 -0.87 0.00 0.00 58.31 53.98 3d3v n LYS 48 Cb 0.44 -3.43 -0.16 0.00 0.02 0.00 0.00 35.03 31.90 3d3v n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3d3v s VAL 49 N 3.86 1.50 0.56 3.15 1.01 -1.26 -4.50 120.40 124.72 3d3v s VAL 49 Ca 0.52 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3d3v s VAL 49 Cb 0.07 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3d3v s VAL 49 CO 0.02 0.14 0.90 -1.61 0.00 0.00 0.00 175.10 174.55 3d3v s GLU 50 N 1.45 3.39 0.06 2.72 0.41 -0.67 -4.87 118.70 121.20 3d3v s GLU 50 Ca -0.01 0.34 -0.00 0.00 -0.41 0.00 0.00 54.97 54.89 3d3v s GLU 50 Cb -0.16 -2.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.90 3d3v s GLU 50 CO -0.08 -0.46 -0.04 -3.38 -0.49 0.00 0.00 175.26 170.81 3d3v s HIS 51 N -2.96 0.61 0.74 1.61 -3.43 -1.26 -0.63 115.29 109.97 3d3v s HIS 51 Ca 0.52 -1.02 -0.08 0.00 -0.80 0.00 0.00 55.06 53.67 3d3v s HIS 51 Cb -0.11 -0.42 0.07 0.00 -1.43 0.00 0.00 32.58 30.70 3d3v s HIS 51 CO 0.48 -0.32 1.07 -1.54 -2.00 0.00 0.00 174.74 172.43 3d3v s SER 52 N -2.92 4.65 0.36 7.38 1.04 -0.36 -5.02 113.70 118.83 3d3v s SER 52 Ca 0.08 0.52 -0.25 0.00 0.48 0.00 0.00 55.95 56.77 3d3v s SER 52 Cb 0.07 -1.09 -0.09 0.00 0.10 0.00 0.00 66.02 65.00 3d3v s SER 52 CO -0.09 -1.74 1.01 -1.81 0.98 0.00 0.00 173.24 171.60 3d3v s ASP 53 N -4.56 7.01 0.11 7.02 1.01 -1.26 -4.77 116.67 121.24 3d3v s ASP 53 Ca 0.61 1.98 -0.31 0.00 0.71 0.00 0.00 52.55 55.54 3d3v s ASP 53 Cb -0.10 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.16 3d3v s ASP 53 CO 0.46 -0.31 1.40 -0.22 0.21 0.00 0.00 175.17 176.72 3d3v s LEU 54 N -2.35 4.37 0.33 1.23 2.96 -1.26 -4.84 118.68 119.11 3d3v s LEU 54 Ca 0.54 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.78 3d3v s LEU 54 Cb -0.21 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 3d3v s LEU 54 CO 0.27 -0.66 0.39 -0.55 -1.32 0.00 0.00 176.35 174.47 3d3v s SER 55 N 1.15 1.05 0.21 3.68 0.15 -1.17 -4.99 113.70 113.77 3d3v s SER 55 Ca 0.65 -1.54 0.06 0.00 0.70 0.00 0.00 55.95 55.82 3d3v s SER 55 Cb -0.37 0.61 -0.05 0.00 -1.71 0.00 0.00 66.02 64.50 3d3v s SER 55 CO 0.30 -1.19 -0.10 0.72 1.20 0.00 0.00 173.24 174.18 3d3v s PHE 56 N -3.29 1.61 0.58 3.44 -0.12 -1.26 -0.39 117.98 118.55 3d3v s PHE 56 Ca 0.34 -0.70 0.06 0.00 -0.05 0.00 0.00 56.93 56.58 3d3v s PHE 56 Cb 0.01 -0.83 0.10 0.00 -0.63 0.00 0.00 43.02 41.68 3d3v s PHE 56 CO 0.21 0.21 0.80 0.43 -0.05 0.00 0.00 175.22 176.82 3d3v n SER 57 N -0.37 1.72 -0.34 1.98 7.64 -0.51 -4.95 113.62 118.79 3d3v n SER 57 Ca -0.08 -2.30 0.02 0.00 1.01 0.00 0.00 58.87 57.52 3d3v n SER 57 Cb 0.61 -0.46 0.16 0.00 -1.01 0.00 0.00 64.21 63.52 3d3v n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3d3v h LYS 58 N 0.00 1.04 -0.04 1.43 3.64 -2.01 -2.04 116.57 118.60 3d3v h LYS 58 Ca -0.27 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3d3v h LYS 58 Cb 1.15 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3d3v h LYS 58 CO 0.35 0.69 0.00 -0.40 -2.27 0.00 0.00 179.45 177.81 3d3v n ASP 59 N -4.57 0.04 0.00 4.20 5.75 -1.26 -4.87 116.55 115.84 3d3v n ASP 59 Ca 0.14 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 3d3v n ASP 59 Cb 0.19 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 3d3v n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3d3v n TRP 60 N -0.48 0.00 -2.47 2.11 7.02 -0.76 -5.04 117.44 117.81 3d3v n TRP 60 Ca 0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.12 3d3v n TRP 60 Cb 0.01 -0.35 -0.03 0.00 -2.42 0.00 0.00 31.31 28.52 3d3v n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3d3v s SER 61 N -2.57 6.44 0.43 -0.99 1.04 -1.26 -4.68 113.70 112.11 3d3v s SER 61 Ca 0.00 2.06 -0.05 0.00 0.48 0.00 0.00 55.95 58.44 3d3v s SER 61 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 3d3v s SER 61 CO 0.00 -0.72 0.72 -0.36 0.98 0.00 0.00 173.24 173.86 3d3v s PHE 62 N -1.76 3.53 -0.03 5.02 0.08 -0.37 -1.43 117.98 123.02 3d3v s PHE 62 Ca 0.63 0.75 -0.04 0.00 0.12 0.00 0.00 56.93 58.38 3d3v s PHE 62 Cb -0.21 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 3d3v s PHE 62 CO 0.26 -0.14 0.11 1.52 -0.10 0.00 0.00 175.22 176.87 3d3v s TYR 63 N -2.55 -0.07 -0.07 0.36 -0.85 0.47 -1.47 117.35 113.17 3d3v s TYR 63 Ca 0.46 0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 57.13 3d3v s TYR 63 Cb -0.10 0.01 0.04 0.00 0.38 0.00 0.00 41.96 42.28 3d3v s TYR 63 CO 0.40 -0.12 0.17 -1.17 -1.52 0.00 0.00 175.55 173.32 3d3v s LEU 64 N -0.35 0.77 -0.10 -3.49 2.96 -0.50 -3.04 118.68 114.93 3d3v s LEU 64 Ca -0.04 0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3d3v s LEU 64 Cb -0.03 0.50 -0.03 0.00 0.50 0.00 0.00 46.19 47.12 3d3v s LEU 64 CO 0.00 -0.14 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.66 3d3v s LEU 65 N 0.98 3.47 -0.07 -0.68 2.96 -1.26 -1.50 118.68 122.58 3d3v s LEU 65 Ca -0.07 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3d3v s LEU 65 Cb -0.09 -1.80 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 3d3v s LEU 65 CO -0.05 0.33 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.79 3d3v s TYR 66 N -0.58 2.14 -0.09 5.38 1.51 0.38 -1.22 117.35 124.86 3d3v s TYR 66 Ca 0.09 -0.74 -0.11 0.00 -1.01 0.00 0.00 57.07 55.31 3d3v s TYR 66 Cb -0.12 -1.44 0.03 0.00 -0.11 0.00 0.00 41.96 40.32 3d3v s TYR 66 CO 0.02 -0.28 0.28 1.52 -1.11 0.00 0.00 175.55 175.98 3d3v s TYR 67 N 0.19 -0.28 -0.00 2.71 -0.85 0.20 0.20 117.35 119.52 3d3v s TYR 67 Ca -0.11 0.65 0.02 0.00 -0.52 0.00 0.00 57.07 57.11 3d3v s TYR 67 Cb -0.15 0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 3d3v s TYR 67 CO 0.05 -0.19 -0.05 -0.08 -1.52 0.00 0.00 175.55 173.76 3d3v s THR 68 N -0.14 0.39 0.12 -3.49 -1.32 -0.42 -1.67 115.64 109.11 3d3v s THR 68 Ca -0.03 -0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 59.89 3d3v s THR 68 Cb -0.03 -0.34 -0.07 0.00 -1.51 0.00 0.00 72.50 70.55 3d3v s THR 68 CO 0.01 0.07 1.22 -0.70 -2.21 0.00 0.00 174.62 173.02 3d3v s GLU 69 N -0.21 4.45 0.24 7.08 2.12 -1.26 -0.80 118.70 130.32 3d3v s GLU 69 Ca 0.01 1.85 -0.16 0.00 0.36 0.00 0.00 54.97 57.03 3d3v s GLU 69 Cb -0.02 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 31.08 3d3v s GLU 69 CO -0.00 -0.20 0.54 -0.59 -0.54 0.00 0.00 175.26 174.46 3d3v s PHE 70 N 0.59 0.13 -0.19 5.30 -0.71 -0.92 -4.94 117.98 117.24 3d3v s PHE 70 Ca 0.57 -0.51 -0.04 0.00 -1.04 0.00 0.00 56.93 55.91 3d3v s PHE 70 Cb -0.32 0.35 0.06 0.00 -1.21 0.00 0.00 43.02 41.90 3d3v s PHE 70 CO 0.32 -1.03 0.06 0.99 -1.34 0.00 0.00 175.22 174.23 3d3v s THR 71 N -3.96 0.26 0.77 -4.49 2.01 -1.26 -2.22 115.64 106.74 3d3v s THR 71 Ca 0.17 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 3d3v s THR 71 Cb -0.02 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.68 3d3v s THR 71 CO 0.06 -0.28 1.08 -2.16 -0.69 0.00 0.00 174.62 172.63 3d3v s PRO 72 N 1.98 2.33 0.00 4.92 0.04 -1.26 -4.85 135.00 138.16 3d3v s PRO 72 Ca 0.01 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.83 3d3v s PRO 72 Cb -0.17 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3d3v s PRO 72 CO -0.10 -1.48 0.00 0.25 0.04 0.00 0.00 177.00 175.70 3d3v n THR 73 N -3.36 0.00 0.04 1.26 -2.24 -1.26 -3.25 114.28 105.46 3d3v n THR 73 Ca 0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 3d3v n THR 73 Cb 0.55 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.70 3d3v n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3d3v h GLU 74 N 0.00 0.00 0.00 -0.78 5.08 -1.98 -3.40 114.58 113.50 3d3v h GLU 74 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3d3v h GLU 74 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3d3v h GLU 74 CO 0.00 0.36 -1.45 1.17 -1.00 0.00 0.00 179.01 178.09 3d3v n LYS 75 N -2.96 0.62 -2.63 2.33 4.81 -1.26 -4.93 118.16 114.14 3d3v n LYS 75 Ca -0.09 0.19 -0.42 0.00 -0.87 0.00 0.00 58.31 57.11 3d3v n LYS 75 Cb 0.86 -1.78 -0.03 0.00 0.02 0.00 0.00 35.03 34.10 3d3v n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3d3v s ASP 76 N -5.68 7.28 -0.31 3.14 1.01 -1.26 -5.03 116.67 115.82 3d3v s ASP 76 Ca -0.03 1.75 -0.12 0.00 0.71 0.00 0.00 52.55 54.85 3d3v s ASP 76 Cb 0.09 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 3d3v s ASP 76 CO 0.81 -0.33 0.23 -1.61 0.21 0.00 0.00 175.17 174.49 3d3v s GLU 77 N 1.08 3.71 -0.03 8.23 2.02 -1.26 -4.86 118.70 127.59 3d3v s GLU 77 Ca 0.54 -0.47 -0.00 0.00 0.02 0.00 0.00 54.97 55.06 3d3v s GLU 77 Cb -0.23 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 3d3v s GLU 77 CO 0.28 -0.33 0.02 0.71 0.02 0.00 0.00 175.26 175.95 3d3v s TYR 78 N 1.77 3.14 0.08 1.61 2.02 -1.26 -1.59 117.35 123.13 3d3v s TYR 78 Ca 0.07 0.15 -0.16 0.00 -0.37 0.00 0.00 57.07 56.76 3d3v s TYR 78 Cb -0.17 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3d3v s TYR 78 CO 0.11 0.48 0.37 0.00 -1.57 0.00 0.00 175.55 174.94 3d3v s ALA 79 N -1.03 -0.85 0.03 3.71 0.00 -0.97 0.87 121.76 123.52 3d3v s ALA 79 Ca 0.18 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.23 3d3v s ALA 79 Cb -0.12 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3d3v s ALA 79 CO 0.08 -0.53 -0.13 0.00 0.00 0.00 0.00 175.76 175.19 3d3v s ARG 81 N -1.51 1.82 0.05 0.00 3.52 -0.30 -1.26 118.95 121.26 3d3v s ARG 81 Ca 0.16 -1.00 0.03 0.00 -0.13 0.00 0.00 55.73 54.80 3d3v s ARG 81 Cb -0.11 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 3d3v s ARG 81 CO 0.07 -0.55 0.02 0.08 -0.81 0.00 0.00 175.30 174.11 3d3v s VAL 82 N 1.36 4.19 -0.04 7.11 1.01 -0.69 -1.73 120.40 131.61 3d3v s VAL 82 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 3d3v s VAL 82 Cb -0.18 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.25 3d3v s VAL 82 CO -0.07 0.21 0.11 0.21 0.00 0.00 0.00 175.10 175.57 3d3v s ASN 83 N -2.05 -0.10 0.23 3.32 2.47 0.99 -1.17 114.94 118.62 3d3v s ASN 83 Ca 0.24 0.22 -0.11 0.00 0.42 0.00 0.00 52.86 53.63 3d3v s ASN 83 Cb -0.12 0.20 -0.01 0.00 -1.45 0.00 0.00 41.25 39.87 3d3v s ASN 83 CO 0.16 -0.06 0.41 -2.28 -3.72 0.00 0.00 177.10 171.62 3d3v s HIS 84 N 0.27 0.48 0.38 0.43 5.65 -1.26 -1.08 115.29 120.15 3d3v s HIS 84 Ca -0.02 -0.82 0.27 0.00 0.25 0.00 0.00 55.06 54.75 3d3v s HIS 84 Cb -0.03 0.06 1.39 0.00 -1.18 0.00 0.00 32.58 32.82 3d3v s HIS 84 CO -0.01 -0.92 2.04 0.28 -0.65 0.00 0.00 174.74 175.48 3d3v h VAL 85 N 2.33 0.55 0.00 0.89 2.07 -1.95 -3.10 116.25 117.04 3d3v h VAL 85 Ca -0.28 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3d3v h VAL 85 Cb 1.25 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3d3v h VAL 85 CO 0.39 0.13 0.00 0.71 0.02 0.00 0.00 177.57 178.82 3d3v h THR 86 N 0.00 0.00 -3.05 2.57 1.35 -1.93 -3.43 112.91 108.42 3d3v h THR 86 Ca -0.00 -0.50 -0.61 0.00 -0.55 0.00 0.00 66.41 64.75 3d3v h THR 86 Cb 0.39 1.49 -0.07 0.00 -1.73 0.00 0.00 68.15 68.23 3d3v h THR 86 CO 0.02 0.00 -0.25 -0.76 -0.25 0.00 0.00 175.52 174.27 3d3v s LEU 87 N -4.67 4.40 0.22 3.87 1.43 -1.17 -5.00 118.68 117.76 3d3v s LEU 87 Ca 0.10 0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 53.99 3d3v s LEU 87 Cb 0.12 -2.49 0.22 0.00 0.03 0.00 0.00 46.19 44.06 3d3v s LEU 87 CO 0.59 0.26 1.57 0.77 0.23 0.00 0.00 176.35 179.77 3d3v h SER 88 N 5.34 0.51 -5.15 2.29 4.64 -1.88 -3.46 113.55 115.85 3d3v h SER 88 Ca -0.49 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 60.47 3d3v h SER 88 Cb 1.21 -0.15 -0.16 0.00 -0.31 0.00 0.00 62.40 62.99 3d3v h SER 88 CO 0.65 0.91 -0.50 -1.10 -0.87 0.00 0.00 176.83 175.92 3d3v s GLN 89 N -4.08 0.69 0.48 4.77 -0.21 -1.26 -5.14 119.66 114.91 3d3v s GLN 89 Ca -0.07 -0.94 -0.24 0.00 0.02 0.00 0.00 55.36 54.14 3d3v s GLN 89 Cb 0.12 0.27 -0.07 0.00 1.00 0.00 0.00 33.01 34.33 3d3v s GLN 89 CO 0.82 -0.18 1.36 -2.14 -2.12 0.00 0.00 175.29 173.02 3d3v s PRO 90 N -3.37 3.52 0.19 2.91 0.02 -1.26 -4.97 135.00 132.04 3d3v s PRO 90 Ca 0.01 2.24 -0.17 0.00 0.02 0.00 0.00 61.00 63.11 3d3v s PRO 90 Cb 0.03 -2.49 -0.08 0.00 0.02 0.00 0.00 34.50 31.99 3d3v s PRO 90 CO -0.08 -0.89 0.65 0.21 -0.33 0.00 0.00 177.00 176.56 3d3v s LYS 91 N -2.62 4.12 -0.14 5.54 2.20 -0.32 -4.95 119.74 123.56 3d3v s LYS 91 Ca 0.65 0.69 0.02 0.00 -0.36 0.00 0.00 55.97 56.96 3d3v s LYS 91 Cb -0.40 -2.88 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 3d3v s LYS 91 CO 0.50 0.42 -0.19 0.42 -0.36 0.00 0.00 175.35 176.14 3d3v s ILE 92 N -1.52 1.85 -0.24 5.43 -1.09 -1.26 -1.70 121.20 122.66 3d3v s ILE 92 Ca 0.41 -0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 57.96 3d3v s ILE 92 Cb -0.16 -1.67 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 3d3v s ILE 92 CO 0.20 0.51 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.69 3d3v s VAL 93 N 1.07 3.28 0.15 2.92 1.01 -0.39 -4.97 120.40 123.47 3d3v s VAL 93 Ca -0.02 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 3d3v s VAL 93 Cb -0.14 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 3d3v s VAL 93 CO -0.06 0.31 1.10 -0.54 0.00 0.00 0.00 175.10 175.91 3d3v s LYS 94 N 1.43 4.58 0.23 2.72 1.02 -1.26 -1.00 119.74 127.46 3d3v s LYS 94 Ca 0.04 1.69 -0.30 0.00 0.02 0.00 0.00 55.97 57.42 3d3v s LYS 94 Cb -0.15 -3.30 -0.09 0.00 -0.52 0.00 0.00 37.83 33.76 3d3v s LYS 94 CO -0.03 0.04 1.36 -0.46 -0.92 0.00 0.00 175.35 175.34 3d3v s TRP 95 N -0.02 3.15 -0.01 3.18 -0.00 0.25 -4.92 118.94 120.58 3d3v s TRP 95 Ca 0.50 1.16 0.08 0.00 -0.00 0.00 0.00 56.10 57.84 3d3v s TRP 95 Cb -0.29 -3.69 -0.02 0.00 -0.00 0.00 0.00 33.47 29.47 3d3v s TRP 95 CO 0.34 -2.18 -0.25 0.34 -0.00 0.00 0.00 176.95 175.20 3d3v s ASP 96 N 0.28 3.18 0.13 5.86 2.15 -1.26 -4.72 116.67 122.28 3d3v s ASP 96 Ca 0.57 -0.47 -0.16 0.00 0.43 0.00 0.00 52.55 52.92 3d3v s ASP 96 Cb -0.39 -0.38 -0.02 0.00 -0.30 0.00 0.00 42.92 41.83 3d3v s ASP 96 CO 0.41 0.31 1.66 0.03 -0.17 0.00 0.00 175.17 177.41 3d3v h ARG 97 N 5.32 0.57 -1.43 4.34 2.47 -1.96 -3.20 114.38 120.49 3d3v h ARG 97 Ca -0.44 -0.11 -0.68 0.00 -1.26 0.00 0.00 59.98 57.49 3d3v h ARG 97 Cb 1.13 -0.09 -0.32 0.00 -1.65 0.00 0.00 29.97 29.04 3d3v h ARG 97 CO 0.47 0.56 0.45 -0.40 0.56 0.00 0.00 179.97 181.61 3d3v n ASP 98 N -4.65 6.77 0.00 7.04 5.68 -1.26 -4.89 116.55 125.24 3d3v n ASP 98 Ca -0.01 -3.79 0.00 0.00 -0.50 0.00 0.00 54.79 50.49 3d3v n ASP 98 Cb 0.16 -0.84 0.00 0.00 -1.14 0.00 0.00 41.12 39.30 3d3v n ASP 98 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10