#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlk s ILE 1 N 0.00 5.37 0.10 1.12 1.10 -1.26 -5.09 121.20 122.54 2vlk s ILE 1 Ca 0.00 0.37 0.05 0.00 -0.51 0.00 0.00 60.65 60.56 2vlk s ILE 1 Cb 0.00 -3.52 -0.04 0.00 0.15 0.00 0.00 42.46 39.05 2vlk s ILE 1 CO 0.00 0.50 -0.13 -1.10 -2.11 0.00 0.00 174.94 172.10 2vlk s GLN 2 N -0.20 0.92 -0.07 3.50 -0.21 -1.26 -4.54 119.66 117.81 2vlk s GLN 2 Ca 0.14 -1.15 -0.06 0.00 0.02 0.00 0.00 55.36 54.31 2vlk s GLN 2 Cb -0.12 -0.75 0.02 0.00 1.00 0.00 0.00 33.01 33.15 2vlk s GLN 2 CO 0.03 0.14 0.18 1.03 -2.12 0.00 0.00 175.29 174.55 2vlk s ARG 3 N -2.52 0.20 0.42 2.91 0.52 -0.47 -4.91 118.95 115.11 2vlk s ARG 3 Ca 0.05 0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 55.30 2vlk s ARG 3 Cb -0.05 0.09 -0.10 0.00 0.52 0.00 0.00 34.95 35.41 2vlk s ARG 3 CO 0.02 -0.03 0.99 0.95 0.02 0.00 0.00 175.30 177.25 2vlk s THR 4 N 0.13 4.09 0.30 0.02 -4.23 -1.26 -2.72 115.64 111.97 2vlk s THR 4 Ca -0.00 1.41 -0.29 0.00 -1.18 0.00 0.00 61.69 61.62 2vlk s THR 4 Cb -0.02 -3.63 -0.11 0.00 1.34 0.00 0.00 72.50 70.09 2vlk s THR 4 CO 0.00 -0.18 1.47 -2.16 -0.54 0.00 0.00 174.62 173.21 2vlk s PRO 5 N -2.92 4.21 0.32 3.99 0.04 -1.26 -4.36 135.00 135.01 2vlk s PRO 5 Ca 0.61 2.41 -0.27 0.00 0.04 0.00 0.00 61.00 63.79 2vlk s PRO 5 Cb -0.15 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 2vlk s PRO 5 CO 0.19 -0.46 1.03 0.15 0.04 0.00 0.00 177.00 177.95 2vlk s LYS 6 N -0.99 4.52 -0.10 4.56 1.02 0.93 -4.90 119.74 124.78 2vlk s LYS 6 Ca 0.57 1.58 0.01 0.00 0.02 0.00 0.00 55.97 58.15 2vlk s LYS 6 Cb -0.44 -2.94 0.02 0.00 -0.52 0.00 0.00 37.83 33.95 2vlk s LYS 6 CO 0.50 0.17 -0.12 0.42 -0.92 0.00 0.00 175.35 175.40 2vlk s ILE 7 N -1.40 1.24 -0.08 2.17 1.01 -1.26 -1.76 121.20 121.12 2vlk s ILE 7 Ca 0.49 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2vlk s ILE 7 Cb -0.26 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2vlk s ILE 7 CO 0.32 0.39 -0.18 -1.10 0.00 0.00 0.00 174.94 174.37 2vlk s GLN 8 N 1.15 2.36 -0.13 2.79 -0.21 -0.20 -5.01 119.66 120.41 2vlk s GLN 8 Ca -0.05 -0.66 0.02 0.00 0.02 0.00 0.00 55.36 54.69 2vlk s GLN 8 Cb -0.14 -1.86 0.01 0.00 1.00 0.00 0.00 33.01 32.02 2vlk s GLN 8 CO -0.03 0.13 -0.19 0.08 -2.12 0.00 0.00 175.29 173.16 2vlk s VAL 9 N 0.44 1.81 0.16 1.09 1.01 -1.26 -0.22 120.40 123.43 2vlk s VAL 9 Ca -0.16 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.76 2vlk s VAL 9 Cb -0.16 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.65 2vlk s VAL 9 CO 0.06 0.50 0.91 -0.72 0.00 0.00 0.00 175.10 175.85 2vlk s TYR 10 N 0.95 -0.16 0.14 5.22 1.13 -0.44 -4.61 117.35 119.57 2vlk s TYR 10 Ca -0.06 -0.15 -0.01 0.00 -1.41 0.00 0.00 57.07 55.44 2vlk s TYR 10 Cb -0.15 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.31 2vlk s TYR 10 CO -0.03 -0.88 0.31 -1.54 -2.51 0.00 0.00 175.55 170.91 2vlk s SER 11 N -2.90 6.40 0.45 -0.18 1.04 -1.26 0.77 113.70 118.01 2vlk s SER 11 Ca 0.11 0.37 0.10 0.00 0.48 0.00 0.00 55.95 57.01 2vlk s SER 11 Cb -0.02 -2.00 0.99 0.00 0.10 0.00 0.00 66.02 65.10 2vlk s SER 11 CO 0.02 0.06 2.08 -0.09 0.98 0.00 0.00 173.24 176.29 2vlk h ARG 12 N 2.56 0.34 -5.12 4.02 2.43 -1.25 -3.45 114.38 113.91 2vlk h ARG 12 Ca -0.47 -0.02 -0.35 0.00 -0.81 0.00 0.00 59.98 58.34 2vlk h ARG 12 Cb 1.18 -0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 30.49 2vlk h ARG 12 CO 0.72 0.24 -0.73 -1.01 -1.51 0.00 0.00 179.97 177.68 2vlk s HIS 13 N -5.32 1.24 -0.17 2.20 3.76 -1.26 -5.01 115.29 110.73 2vlk s HIS 13 Ca -0.07 -0.68 -0.41 0.00 -0.15 0.00 0.00 55.06 53.75 2vlk s HIS 13 Cb 0.17 -0.65 -0.18 0.00 1.11 0.00 0.00 32.58 33.03 2vlk s HIS 13 CO 0.71 0.08 1.41 -2.30 -0.85 0.00 0.00 174.74 173.79 2vlk n PRO 14 N 0.19 0.50 -2.18 8.40 -0.02 -1.26 -4.77 135.00 135.87 2vlk n PRO 14 Ca -0.13 0.18 -0.38 0.00 -2.02 0.00 0.00 63.50 61.15 2vlk n PRO 14 Cb 0.59 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 2vlk n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vlk s ALA 15 N 1.65 2.29 -0.12 3.55 0.00 -1.26 -4.98 121.76 122.89 2vlk s ALA 15 Ca 0.95 -0.92 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 2vlk s ALA 15 Cb -1.22 -4.32 -0.04 0.00 0.00 0.00 0.00 23.12 17.55 2vlk s ALA 15 CO 0.63 -3.81 0.07 -2.00 0.00 0.00 0.00 175.76 170.66 2vlk s GLU 16 N 6.68 3.39 0.17 0.00 2.12 -1.26 -5.07 118.70 124.73 2vlk s GLU 16 Ca 0.59 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.34 2vlk s GLU 16 Cb -0.11 -3.05 -0.08 0.00 0.26 0.00 0.00 34.13 31.15 2vlk s GLU 16 CO 0.17 0.64 1.30 -0.80 -0.54 0.00 0.00 175.26 176.03 2vlk s ASN 17 N -0.66 6.93 0.00 -1.70 0.01 -1.26 -2.73 114.94 115.52 2vlk s ASN 17 Ca 0.12 2.33 0.00 0.00 -0.71 0.00 0.00 52.86 54.60 2vlk s ASN 17 Cb -0.12 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 38.94 2vlk s ASN 17 CO 0.02 -0.52 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 2vlk n GLY 18 N 2.60 1.81 3.61 0.66 0.00 -0.86 -5.03 105.19 107.99 2vlk n GLY 18 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2vlk n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vlk s LYS 19 N -0.84 3.75 0.34 1.61 2.20 -1.10 -4.98 119.74 120.71 2vlk s LYS 19 Ca 0.00 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 2vlk s LYS 19 Cb 0.00 -3.08 -0.12 0.00 -1.51 0.00 0.00 37.83 33.13 2vlk s LYS 19 CO 0.00 0.34 1.50 0.45 -0.36 0.00 0.00 175.35 177.28 2vlk n SER 20 N 3.29 3.65 -3.18 1.43 2.88 -1.26 -4.20 113.62 116.22 2vlk n SER 20 Ca -0.17 1.19 -0.09 0.00 -1.33 0.00 0.00 58.87 58.47 2vlk n SER 20 Cb 0.53 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 2vlk n SER 20 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2vlk s ASN 21 N 0.10 0.10 -0.06 -3.46 3.84 0.20 -5.01 114.94 110.65 2vlk s ASN 21 Ca 0.58 -1.10 0.06 0.00 0.21 0.00 0.00 52.86 52.61 2vlk s ASN 21 Cb -0.50 0.79 -0.01 0.00 -0.55 0.00 0.00 41.25 40.98 2vlk s ASN 21 CO 0.57 -1.55 -0.24 -0.36 -2.79 0.00 0.00 177.10 172.73 2vlk s PHE 22 N -2.78 2.36 -0.21 0.43 0.40 -1.26 -1.06 117.98 115.86 2vlk s PHE 22 Ca 0.17 -0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 55.68 2vlk s PHE 22 Cb -0.04 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 2vlk s PHE 22 CO 0.12 -0.22 0.19 -1.17 0.70 0.00 0.00 175.22 174.84 2vlk s LEU 23 N -0.13 4.16 -0.05 -0.37 2.96 -0.45 -0.65 118.68 124.16 2vlk s LEU 23 Ca -0.04 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2vlk s LEU 23 Cb -0.14 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2vlk s LEU 23 CO 0.04 0.09 -0.17 0.20 -1.32 0.00 0.00 176.35 175.18 2vlk s ASN 24 N 0.76 3.77 -0.21 3.68 0.01 0.23 -2.12 114.94 121.06 2vlk s ASN 24 Ca 0.10 -0.28 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 2vlk s ASN 24 Cb -0.13 -0.79 0.04 0.00 0.41 0.00 0.00 41.25 40.78 2vlk s ASN 24 CO 0.03 0.32 -0.13 0.00 -1.51 0.00 0.00 177.10 175.81 2vlk s TYR 26 N 1.27 3.15 -0.09 0.00 5.04 0.70 -0.31 117.35 127.11 2vlk s TYR 26 Ca -0.02 -0.35 0.05 0.00 -2.44 0.00 0.00 57.07 54.30 2vlk s TYR 26 Cb -0.16 -2.32 -0.01 0.00 0.35 0.00 0.00 41.96 39.82 2vlk s TYR 26 CO -0.09 -0.35 -0.24 0.14 -1.34 0.00 0.00 175.55 173.68 2vlk s VAL 27 N 1.65 2.13 0.15 3.14 -7.23 -0.61 -1.04 120.40 118.59 2vlk s VAL 27 Ca 0.06 -1.01 -0.16 0.00 -1.81 0.00 0.00 61.98 59.06 2vlk s VAL 27 Cb -0.16 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.01 2vlk s VAL 27 CO 0.06 0.56 0.42 -0.94 -0.31 0.00 0.00 175.10 174.90 2vlk s SER 28 N 0.14 -0.22 0.00 4.85 1.04 -0.72 -0.90 113.70 117.89 2vlk s SER 28 Ca -0.12 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2vlk s SER 28 Cb -0.16 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2vlk s SER 28 CO 0.07 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2vlk n GLY 29 N -0.25 0.76 3.87 7.32 0.00 -0.44 -0.05 105.19 116.39 2vlk n GLY 29 Ca -0.14 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2vlk n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vlk s PHE 30 N -2.00 3.35 -0.27 1.61 -0.71 -1.20 -4.52 117.98 114.23 2vlk s PHE 30 Ca 0.00 0.10 -0.14 0.00 -1.04 0.00 0.00 56.93 55.85 2vlk s PHE 30 Cb 0.00 -1.64 0.09 0.00 -1.21 0.00 0.00 43.02 40.26 2vlk s PHE 30 CO 0.00 0.53 0.65 -1.58 -1.34 0.00 0.00 175.22 173.48 2vlk s HIS 31 N -1.63 -1.07 0.59 3.49 2.46 -1.10 -1.48 115.29 116.55 2vlk s HIS 31 Ca 0.33 2.08 -0.10 0.00 0.47 0.00 0.00 55.06 57.84 2vlk s HIS 31 Cb -0.11 0.63 0.14 0.00 -0.13 0.00 0.00 32.58 33.10 2vlk s HIS 31 CO 0.26 -0.53 0.80 -0.35 -2.47 0.00 0.00 174.74 172.45 2vlk n PRO 32 N 4.53 -0.75 0.08 2.88 -0.04 -1.26 -1.37 135.00 139.08 2vlk n PRO 32 Ca -0.19 -1.28 -0.03 0.00 -0.04 0.00 0.00 63.50 61.97 2vlk n PRO 32 Cb 0.57 -0.82 -0.06 0.00 -0.04 0.00 0.00 33.50 33.15 2vlk n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2vlk h SER 33 N -1.04 0.00 -2.06 3.54 4.64 -2.01 -3.45 113.55 113.17 2vlk h SER 33 Ca -0.26 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.46 2vlk h SER 33 Cb 0.72 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2vlk h SER 33 CO 0.19 0.78 1.15 -0.67 -0.87 0.00 0.00 176.83 177.41 2vlk n ASP 34 N -3.24 3.56 -3.84 4.97 4.64 -1.26 -4.94 116.55 116.43 2vlk n ASP 34 Ca -0.01 0.92 -0.10 0.00 -1.38 0.00 0.00 54.79 54.22 2vlk n ASP 34 Cb 0.86 -1.40 -0.08 0.00 -1.04 0.00 0.00 41.12 39.46 2vlk n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 2vlk s ILE 35 N 4.39 0.12 -0.06 5.18 2.07 -1.26 -4.65 121.20 126.98 2vlk s ILE 35 Ca 0.93 -1.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.17 2vlk s ILE 35 Cb -0.64 -1.10 0.03 0.00 0.13 0.00 0.00 42.46 40.88 2vlk s ILE 35 CO 0.49 -0.55 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.25 2vlk s GLU 36 N -3.15 0.77 -0.10 3.50 2.12 -0.71 -5.02 118.70 116.11 2vlk s GLU 36 Ca -0.01 -0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.32 2vlk s GLU 36 Cb 0.02 -0.97 0.02 0.00 0.26 0.00 0.00 34.13 33.46 2vlk s GLU 36 CO -0.07 -0.21 -0.09 0.08 -0.54 0.00 0.00 175.26 174.42 2vlk s VAL 37 N 1.53 1.08 0.03 3.70 1.01 -1.26 -0.50 120.40 125.99 2vlk s VAL 37 Ca -0.01 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2vlk s VAL 37 Cb -0.13 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2vlk s VAL 37 CO -0.03 0.37 -0.12 -1.81 0.00 0.00 0.00 175.10 173.50 2vlk s ASP 38 N 1.33 4.23 -0.09 3.32 1.01 -0.24 -4.99 116.67 121.23 2vlk s ASP 38 Ca -0.02 -0.30 -0.05 0.00 0.71 0.00 0.00 52.55 52.90 2vlk s ASP 38 Cb -0.14 -0.84 -0.04 0.00 1.01 0.00 0.00 42.92 42.92 2vlk s ASP 38 CO -0.04 0.26 0.09 -0.76 0.21 0.00 0.00 175.17 174.93 2vlk s LEU 39 N -1.52 4.09 -0.05 1.23 1.43 -1.26 -1.15 118.68 121.45 2vlk s LEU 39 Ca 0.16 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 2vlk s LEU 39 Cb -0.11 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2vlk s LEU 39 CO 0.07 0.38 -0.23 -0.76 0.23 0.00 0.00 176.35 176.04 2vlk s LEU 40 N -1.10 2.17 -0.23 1.79 1.43 0.47 -0.34 118.68 122.87 2vlk s LEU 40 Ca 0.16 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2vlk s LEU 40 Cb -0.12 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.70 2vlk s LEU 40 CO 0.05 0.27 -0.03 -0.75 0.23 0.00 0.00 176.35 176.12 2vlk s LYS 41 N -0.32 3.24 -0.89 1.70 2.20 0.19 -1.78 119.74 124.09 2vlk s LYS 41 Ca 0.01 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.88 2vlk s LYS 41 Cb -0.13 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.17 2vlk s LYS 41 CO 0.02 -0.26 0.10 0.09 -0.36 0.00 0.00 175.35 174.95 2vlk n ASN 42 N 4.78 -3.24 0.00 1.43 3.02 0.20 -0.21 115.26 121.24 2vlk n ASN 42 Ca -0.17 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2vlk n ASN 42 Cb 0.50 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.90 2vlk n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vlk n GLY 43 N -0.82 0.49 3.66 7.41 0.00 -1.26 -5.05 105.19 109.62 2vlk n GLY 43 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2vlk n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vlk s GLU 44 N -0.84 2.89 0.13 1.61 2.02 0.70 -5.01 118.70 120.20 2vlk s GLU 44 Ca 0.00 -0.48 -0.35 0.00 0.02 0.00 0.00 54.97 54.16 2vlk s GLU 44 Cb 0.00 -2.72 -0.16 0.00 0.10 0.00 0.00 34.13 31.35 2vlk s GLU 44 CO 0.00 0.68 1.37 -2.13 0.02 0.00 0.00 175.26 175.20 2vlk n ARG 45 N 1.99 1.46 -3.35 1.61 0.63 -1.26 0.57 116.66 118.30 2vlk n ARG 45 Ca -0.18 0.52 -0.38 0.00 -0.92 0.00 0.00 57.85 56.90 2vlk n ARG 45 Cb 0.53 -2.17 -0.06 0.00 0.45 0.00 0.00 32.46 31.21 2vlk n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2vlk s ILE 46 N 0.43 4.84 -0.23 5.15 1.01 0.54 -4.77 121.20 128.18 2vlk s ILE 46 Ca 0.80 1.05 0.09 0.00 0.00 0.00 0.00 60.65 62.58 2vlk s ILE 46 Cb -0.85 -3.82 -0.20 0.00 0.01 0.00 0.00 42.46 37.60 2vlk s ILE 46 CO 0.46 0.51 -0.10 -0.62 0.00 0.00 0.00 174.94 175.19 2vlk n GLU 47 N 1.61 0.70 -2.15 2.79 1.02 -1.26 -4.55 120.64 118.80 2vlk n GLU 47 Ca -0.11 0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 2vlk n GLU 47 Cb 0.51 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2vlk n GLU 47 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2vlk n LYS 48 N -3.01 4.18 -3.86 3.49 5.02 -1.26 -4.94 118.16 117.77 2vlk n LYS 48 Ca -0.39 -3.50 -0.35 0.00 -2.02 0.00 0.00 58.31 52.04 2vlk n LYS 48 Cb 1.04 -2.75 -0.09 0.00 -0.02 0.00 0.00 35.03 33.20 2vlk n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2vlk s VAL 49 N -0.52 5.01 0.31 -0.18 1.01 -1.26 -4.65 120.40 120.12 2vlk s VAL 49 Ca 0.47 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.58 2vlk s VAL 49 Cb 0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2vlk s VAL 49 CO -0.05 0.43 0.21 -1.61 0.00 0.00 0.00 175.10 174.08 2vlk s GLU 50 N 0.57 2.69 0.05 2.72 2.02 -0.16 -4.92 118.70 121.67 2vlk s GLU 50 Ca 0.05 -1.28 -0.04 0.00 0.02 0.00 0.00 54.97 53.73 2vlk s GLU 50 Cb -0.12 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.65 2vlk s GLU 50 CO 0.01 0.21 0.05 -3.38 0.02 0.00 0.00 175.26 172.16 2vlk s HIS 51 N -2.28 0.35 0.78 1.61 -3.43 -1.26 -0.66 115.29 110.40 2vlk s HIS 51 Ca 0.37 -0.81 -0.10 0.00 -0.80 0.00 0.00 55.06 53.72 2vlk s HIS 51 Cb -0.06 -0.25 0.08 0.00 -1.43 0.00 0.00 32.58 30.92 2vlk s HIS 51 CO 0.25 -0.40 1.13 -1.54 -2.00 0.00 0.00 174.74 172.17 2vlk s SER 52 N -2.67 4.57 0.25 7.38 1.04 -0.70 -5.01 113.70 118.56 2vlk s SER 52 Ca 0.03 0.66 -0.30 0.00 0.48 0.00 0.00 55.95 56.82 2vlk s SER 52 Cb 0.04 -1.19 -0.09 0.00 0.10 0.00 0.00 66.02 64.88 2vlk s SER 52 CO -0.09 -1.83 1.01 -1.81 0.98 0.00 0.00 173.24 171.50 2vlk s ASP 53 N -4.57 7.48 -0.03 7.02 1.01 -1.26 -4.76 116.67 121.56 2vlk s ASP 53 Ca 0.62 2.07 -0.36 0.00 0.71 0.00 0.00 52.55 55.59 2vlk s ASP 53 Cb -0.11 -2.62 -0.14 0.00 1.01 0.00 0.00 42.92 41.07 2vlk s ASP 53 CO 0.48 0.02 1.69 -0.11 0.21 0.00 0.00 175.17 177.46 2vlk n LEU 54 N 1.47 2.89 -4.24 1.23 7.94 -1.26 -4.94 117.00 120.10 2vlk n LEU 54 Ca -0.01 1.04 -0.16 0.00 -1.11 0.00 0.00 56.01 55.78 2vlk n LEU 54 Cb 0.46 -1.32 -0.09 0.00 0.53 0.00 0.00 43.42 43.01 2vlk n LEU 54 CO 0.52 -0.33 -0.17 -0.55 -1.11 0.00 0.00 177.39 175.75 2vlk s SER 55 N 2.58 0.89 0.19 1.96 0.15 -1.24 -5.06 113.70 113.18 2vlk s SER 55 Ca 0.89 -1.56 -0.04 0.00 0.70 0.00 0.00 55.95 55.94 2vlk s SER 55 Cb -0.80 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.95 2vlk s SER 55 CO 0.50 -0.96 0.18 0.72 1.20 0.00 0.00 173.24 174.88 2vlk s PHE 56 N -3.80 0.90 0.78 3.44 -0.12 -1.26 -1.83 117.98 116.09 2vlk s PHE 56 Ca 0.40 -1.19 -0.03 0.00 -0.05 0.00 0.00 56.93 56.06 2vlk s PHE 56 Cb 0.05 -0.38 0.16 0.00 -0.63 0.00 0.00 43.02 42.21 2vlk s PHE 56 CO 0.20 -0.68 1.07 0.43 -0.05 0.00 0.00 175.22 176.18 2vlk n SER 57 N -0.25 1.19 -0.20 1.98 7.64 -0.32 -4.94 113.62 118.72 2vlk n SER 57 Ca -0.01 -2.06 -0.00 0.00 1.01 0.00 0.00 58.87 57.81 2vlk n SER 57 Cb 0.65 -0.71 0.11 0.00 -1.01 0.00 0.00 64.21 63.24 2vlk n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2vlk h LYS 58 N 0.00 0.42 -0.01 1.43 3.11 -2.03 -1.50 116.57 117.99 2vlk h LYS 58 Ca -0.35 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.46 2vlk h LYS 58 Cb 1.24 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 2vlk h LYS 58 CO 0.35 0.28 0.00 -0.40 -2.81 0.00 0.00 179.45 176.87 2vlk n ASP 59 N -4.98 0.16 0.00 4.20 5.68 -1.26 -4.89 116.55 115.47 2vlk n ASP 59 Ca 0.09 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 2vlk n ASP 59 Cb 0.26 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2vlk n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2vlk n TRP 60 N -0.79 0.00 -2.43 2.11 7.02 -0.57 -5.04 117.44 117.75 2vlk n TRP 60 Ca 0.19 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.37 2vlk n TRP 60 Cb 0.12 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.99 2vlk n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2vlk s SER 61 N -2.70 6.48 0.49 -0.99 1.04 -1.26 -4.62 113.70 112.13 2vlk s SER 61 Ca 0.00 1.36 -0.02 0.00 0.48 0.00 0.00 55.95 57.77 2vlk s SER 61 Cb 0.00 -2.43 -0.00 0.00 0.10 0.00 0.00 66.02 63.69 2vlk s SER 61 CO 0.00 -0.60 0.74 -0.36 0.98 0.00 0.00 173.24 174.00 2vlk s PHE 62 N -2.69 3.23 -0.02 5.02 0.08 -0.55 -1.18 117.98 121.88 2vlk s PHE 62 Ca 0.55 0.36 -0.11 0.00 0.12 0.00 0.00 56.93 57.85 2vlk s PHE 62 Cb -0.10 -2.44 0.01 0.00 -0.57 0.00 0.00 43.02 39.92 2vlk s PHE 62 CO 0.37 -0.50 0.22 1.52 -0.10 0.00 0.00 175.22 176.74 2vlk s TYR 63 N -2.69 -0.09 0.04 0.36 -0.85 -0.76 -1.33 117.35 112.02 2vlk s TYR 63 Ca 0.50 0.13 -0.12 0.00 -0.52 0.00 0.00 57.07 57.06 2vlk s TYR 63 Cb -0.10 0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.28 2vlk s TYR 63 CO 0.40 -0.31 0.26 -0.51 -1.52 0.00 0.00 175.55 173.87 2vlk s LEU 64 N -1.18 1.08 -0.13 -3.49 1.43 -0.08 -3.65 118.68 112.66 2vlk s LEU 64 Ca -0.12 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2vlk s LEU 64 Cb -0.06 1.18 0.01 0.00 0.03 0.00 0.00 46.19 47.35 2vlk s LEU 64 CO 0.03 -0.58 -0.20 -0.22 0.23 0.00 0.00 176.35 175.61 2vlk s LEU 65 N -2.01 2.01 -0.05 1.79 2.96 -1.26 -1.57 118.68 120.55 2vlk s LEU 65 Ca -0.06 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 2vlk s LEU 65 Cb -0.01 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 2vlk s LEU 65 CO -0.03 0.07 0.04 -0.31 -1.32 0.00 0.00 176.35 174.80 2vlk s TYR 66 N 0.83 3.24 -0.02 5.38 1.51 0.57 -1.72 117.35 127.14 2vlk s TYR 66 Ca -0.08 0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.91 2vlk s TYR 66 Cb -0.15 -1.77 0.07 0.00 -0.11 0.00 0.00 41.96 39.99 2vlk s TYR 66 CO -0.01 0.52 0.68 1.52 -1.11 0.00 0.00 175.55 177.15 2vlk s TYR 67 N -1.02 -0.63 -0.08 2.71 -0.85 0.16 -0.51 117.35 117.13 2vlk s TYR 67 Ca 0.17 0.98 -0.09 0.00 -0.52 0.00 0.00 57.07 57.61 2vlk s TYR 67 Cb -0.12 0.44 0.02 0.00 0.38 0.00 0.00 41.96 42.68 2vlk s TYR 67 CO 0.07 -0.64 0.26 -0.08 -1.52 0.00 0.00 175.55 173.64 2vlk s THR 68 N -1.60 0.01 0.38 -3.49 -1.32 -0.90 -0.99 115.64 107.72 2vlk s THR 68 Ca -0.09 -0.10 -0.27 0.00 -1.21 0.00 0.00 61.69 60.03 2vlk s THR 68 Cb -0.00 -0.40 -0.09 0.00 -1.51 0.00 0.00 72.50 70.50 2vlk s THR 68 CO 0.06 -0.05 1.26 -0.70 -2.21 0.00 0.00 174.62 172.98 2vlk s GLU 69 N -0.12 4.11 0.17 7.08 2.12 -1.26 -1.34 118.70 129.45 2vlk s GLU 69 Ca -0.02 2.08 -0.23 0.00 0.36 0.00 0.00 54.97 57.15 2vlk s GLU 69 Cb -0.03 -2.83 0.06 0.00 0.26 0.00 0.00 34.13 31.59 2vlk s GLU 69 CO 0.01 -0.35 0.69 -0.59 -0.54 0.00 0.00 175.26 174.48 2vlk s PHE 70 N -1.26 -0.41 -0.27 5.30 -0.71 -0.22 -4.87 117.98 115.53 2vlk s PHE 70 Ca 0.54 0.14 0.02 0.00 -1.04 0.00 0.00 56.93 56.59 2vlk s PHE 70 Cb -0.36 0.60 0.07 0.00 -1.21 0.00 0.00 43.02 42.12 2vlk s PHE 70 CO 0.47 -0.90 -0.02 0.99 -1.34 0.00 0.00 175.22 174.41 2vlk s THR 71 N -3.68 1.77 0.35 -4.49 2.01 -1.26 -0.63 115.64 109.70 2vlk s THR 71 Ca 0.05 -1.60 -0.29 0.00 0.31 0.00 0.00 61.69 60.16 2vlk s THR 71 Cb -0.02 -2.09 -0.11 0.00 0.01 0.00 0.00 72.50 70.29 2vlk s THR 71 CO -0.07 -0.27 1.47 -2.16 -0.69 0.00 0.00 174.62 172.90 2vlk s PRO 72 N 1.24 4.16 0.31 4.92 0.04 -1.26 -4.89 135.00 139.52 2vlk s PRO 72 Ca -0.01 2.50 0.04 0.00 0.04 0.00 0.00 61.00 63.58 2vlk s PRO 72 Cb -0.19 -3.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.29 2vlk s PRO 72 CO -0.09 -0.49 0.03 0.95 0.04 0.00 0.00 177.00 177.45 2vlk s THR 73 N -0.90 1.30 0.15 1.26 -4.23 -1.26 -2.02 115.64 109.94 2vlk s THR 73 Ca 0.54 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.83 2vlk s THR 73 Cb -0.45 -2.69 0.04 0.00 1.34 0.00 0.00 72.50 70.74 2vlk s THR 73 CO 0.58 -0.09 1.67 -0.08 -0.54 0.00 0.00 174.62 176.16 2vlk h GLU 74 N 2.17 -0.05 0.19 3.99 4.81 -1.97 -3.24 114.58 120.47 2vlk h GLU 74 Ca -0.40 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.52 2vlk h GLU 74 Cb 1.24 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.65 2vlk h GLU 74 CO 0.69 -0.03 -1.41 0.87 -0.73 0.00 0.00 179.01 178.39 2vlk h LYS 75 N -0.05 0.40 -7.08 1.92 1.79 -2.03 -3.48 116.57 108.05 2vlk h LYS 75 Ca 0.15 -0.69 -0.55 0.00 -2.18 0.00 0.00 60.65 57.38 2vlk h LYS 75 Cb 0.28 0.26 0.14 0.00 -1.58 0.00 0.00 32.23 31.33 2vlk h LYS 75 CO -0.34 1.32 0.53 -0.51 -1.08 0.00 0.00 179.45 179.37 2vlk s ASP 76 N -7.35 4.99 -0.03 0.86 1.01 -1.23 -5.04 116.67 109.89 2vlk s ASP 76 Ca -0.07 2.60 0.02 0.00 0.71 0.00 0.00 52.55 55.81 2vlk s ASP 76 Cb 0.06 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.37 2vlk s ASP 76 CO 0.91 -1.74 -0.08 -0.70 0.21 0.00 0.00 175.17 173.76 2vlk s GLU 77 N -3.20 0.97 0.23 8.23 2.12 -1.26 -4.83 118.70 120.95 2vlk s GLU 77 Ca 0.78 -0.27 0.06 0.00 0.36 0.00 0.00 54.97 55.89 2vlk s GLU 77 Cb -0.36 -0.91 -0.05 0.00 0.26 0.00 0.00 34.13 33.07 2vlk s GLU 77 CO 0.40 0.07 -0.08 0.71 -0.54 0.00 0.00 175.26 175.83 2vlk s TYR 78 N 0.35 1.68 -0.05 5.30 2.02 -1.26 0.62 117.35 126.00 2vlk s TYR 78 Ca -0.05 -0.73 -0.30 0.00 -0.37 0.00 0.00 57.07 55.62 2vlk s TYR 78 Cb -0.10 -0.90 0.08 0.00 -0.40 0.00 0.00 41.96 40.64 2vlk s TYR 78 CO 0.01 0.19 0.74 0.00 -1.57 0.00 0.00 175.55 174.91 2vlk s ALA 79 N -3.15 -1.79 -0.06 3.71 0.00 -0.74 -0.99 121.76 118.74 2vlk s ALA 79 Ca 0.25 1.29 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 2vlk s ALA 79 Cb 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2vlk s ALA 79 CO 0.08 -0.40 0.06 0.00 0.00 0.00 0.00 175.76 175.50 2vlk s ARG 81 N -1.26 1.28 -0.05 0.00 3.52 -0.30 -0.31 118.95 121.83 2vlk s ARG 81 Ca 0.18 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.63 2vlk s ARG 81 Cb -0.12 -1.33 -0.01 0.00 -1.56 0.00 0.00 34.95 31.94 2vlk s ARG 81 CO 0.07 -0.19 -0.20 0.08 -0.81 0.00 0.00 175.30 174.25 2vlk s VAL 82 N 1.45 1.64 -0.08 7.11 1.01 0.09 -1.08 120.40 130.54 2vlk s VAL 82 Ca -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2vlk s VAL 82 Cb -0.13 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.86 2vlk s VAL 82 CO -0.04 0.46 -0.16 0.21 0.00 0.00 0.00 175.10 175.57 2vlk s ASN 83 N -0.05 2.23 0.06 3.32 3.04 0.34 -1.06 114.94 122.81 2vlk s ASN 83 Ca -0.03 -0.39 -0.09 0.00 0.04 0.00 0.00 52.86 52.39 2vlk s ASN 83 Cb -0.12 -1.03 -0.00 0.00 -1.54 0.00 0.00 41.25 38.56 2vlk s ASN 83 CO 0.03 0.08 0.18 -2.28 -3.04 0.00 0.00 177.10 172.06 2vlk s HIS 84 N 0.56 0.11 0.39 0.43 2.46 -1.26 -1.74 115.29 116.24 2vlk s HIS 84 Ca -0.16 -0.43 0.06 0.00 0.47 0.00 0.00 55.06 55.01 2vlk s HIS 84 Cb -0.17 -0.06 0.79 0.00 -0.13 0.00 0.00 32.58 33.01 2vlk s HIS 84 CO 0.05 -0.47 2.00 -0.24 -2.47 0.00 0.00 174.74 173.62 2vlk h VAL 85 N 3.20 1.13 0.00 0.89 3.04 -1.94 -0.77 116.25 121.80 2vlk h VAL 85 Ca -0.33 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2vlk h VAL 85 Cb 1.19 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2vlk h VAL 85 CO 0.52 0.15 0.00 0.71 -1.01 0.00 0.00 177.57 177.94 2vlk h THR 86 N 0.52 0.00 -3.22 3.17 1.35 -1.92 -3.43 112.91 109.39 2vlk h THR 86 Ca 0.13 -0.10 -0.61 0.00 -0.55 0.00 0.00 66.41 65.28 2vlk h THR 86 Cb 0.06 0.87 -0.12 0.00 -1.73 0.00 0.00 68.15 67.24 2vlk h THR 86 CO -0.02 0.00 -0.49 -0.76 -0.25 0.00 0.00 175.52 174.00 2vlk s LEU 87 N -5.30 4.23 0.12 3.87 1.43 -0.30 -4.97 118.68 117.76 2vlk s LEU 87 Ca -0.02 0.25 0.27 0.00 -1.03 0.00 0.00 54.13 53.60 2vlk s LEU 87 Cb 0.09 -2.09 0.95 0.00 0.03 0.00 0.00 46.19 45.17 2vlk s LEU 87 CO 0.35 0.20 1.81 -1.54 0.23 0.00 0.00 176.35 177.40 2vlk n SER 88 N 3.39 0.50 -3.66 2.29 3.41 -1.26 -4.73 113.62 113.55 2vlk n SER 88 Ca -0.16 0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 58.86 2vlk n SER 88 Cb 0.52 -0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 2vlk n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2vlk s GLN 89 N -3.06 0.30 0.16 4.33 -0.21 -1.26 -5.13 119.66 114.79 2vlk s GLN 89 Ca 0.12 0.96 -0.30 0.00 0.02 0.00 0.00 55.36 56.16 2vlk s GLN 89 Cb 0.15 0.24 -0.17 0.00 1.00 0.00 0.00 33.01 34.23 2vlk s GLN 89 CO 0.58 -0.25 0.61 -2.30 -2.12 0.00 0.00 175.29 171.81 2vlk n PRO 90 N 5.28 0.00 -3.70 2.91 -0.01 -1.26 -4.89 135.00 133.33 2vlk n PRO 90 Ca -0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 63.50 63.03 2vlk n PRO 90 Cb 0.50 -1.08 -0.11 0.00 -0.01 0.00 0.00 33.50 32.79 2vlk n PRO 90 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 175.50 175.70 2vlk s LYS 91 N -0.82 3.87 -0.03 -0.52 2.20 -0.23 -4.87 119.74 119.34 2vlk s LYS 91 Ca 0.68 -0.37 -0.18 0.00 -0.36 0.00 0.00 55.97 55.74 2vlk s LYS 91 Cb -0.99 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 31.80 2vlk s LYS 91 CO 0.56 -0.10 0.50 0.42 -0.36 0.00 0.00 175.35 176.37 2vlk s ILE 92 N 1.46 5.00 -0.05 5.43 1.01 -1.26 -0.73 121.20 132.06 2vlk s ILE 92 Ca 0.06 1.03 0.02 0.00 0.00 0.00 0.00 60.65 61.77 2vlk s ILE 92 Cb -0.15 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.51 2vlk s ILE 92 CO 0.06 0.46 -0.08 -0.69 0.00 0.00 0.00 174.94 174.69 2vlk s VAL 93 N -0.33 0.82 -0.04 2.92 1.01 0.57 -5.00 120.40 120.35 2vlk s VAL 93 Ca 0.27 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 2vlk s VAL 93 Cb -0.17 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2vlk s VAL 93 CO 0.14 0.28 0.17 -0.75 0.00 0.00 0.00 175.10 174.94 2vlk s LYS 94 N 0.65 3.44 -0.51 2.72 2.20 -1.26 -0.35 119.74 126.63 2vlk s LYS 94 Ca -0.11 -0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 54.96 2vlk s LYS 94 Cb -0.14 -3.12 -0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2vlk s LYS 94 CO 0.02 0.70 1.62 -0.46 -0.36 0.00 0.00 175.35 176.87 2vlk s TRP 95 N -1.25 2.01 -0.57 4.03 -0.00 -0.16 -4.90 118.94 118.10 2vlk s TRP 95 Ca 0.24 0.61 -0.20 0.00 -0.00 0.00 0.00 56.10 56.75 2vlk s TRP 95 Cb -0.12 -4.24 0.08 0.00 -0.00 0.00 0.00 33.47 29.19 2vlk s TRP 95 CO 0.15 -2.29 0.72 0.34 -0.00 0.00 0.00 176.95 175.86 2vlk s ASP 96 N 5.76 6.20 0.00 5.86 -1.08 -1.26 -4.78 116.67 127.37 2vlk s ASP 96 Ca 0.63 -1.18 0.00 0.00 -0.52 0.00 0.00 52.55 51.48 2vlk s ASP 96 Cb -0.14 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 2vlk s ASP 96 CO 0.26 -1.09 0.33 -2.11 0.52 0.00 0.00 175.17 173.08 2vlk n ARG 97 N 6.49 0.63 -2.78 4.34 1.85 -1.26 -3.02 116.66 122.91 2vlk n ARG 97 Ca -0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.74 2vlk n ARG 97 Cb 0.44 -1.30 0.01 0.00 -1.05 0.00 0.00 32.46 30.56 2vlk n ARG 97 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2vlk s ASP 98 N -0.43 -1.27 0.00 2.89 3.68 -1.26 -4.92 116.67 115.37 2vlk s ASP 98 Ca 0.00 -1.43 0.00 0.00 2.13 0.00 0.00 52.55 53.25 2vlk s ASP 98 Cb 0.00 1.65 0.00 0.00 -1.45 0.00 0.00 42.92 43.12 2vlk s ASP 98 CO 0.00 -0.05 0.00 1.15 0.13 0.00 0.00 175.17 176.40