#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvk n HIS 2 N 0.00 0.00 -4.23 1.61 -0.00 -1.26 -5.00 115.22 106.34 1wvk n HIS 2 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 1wvk n HIS 2 Cb 0.00 -0.32 -0.12 0.00 -0.00 0.00 0.00 29.99 29.55 1wvk n HIS 2 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1wvk s HIS 3 N -2.17 3.06 0.64 1.57 5.65 -1.26 -5.09 115.29 117.70 1wvk s HIS 3 Ca -0.12 -0.31 -0.17 0.00 0.25 0.00 0.00 55.06 54.70 1wvk s HIS 3 Cb 0.05 -2.02 -0.01 0.00 -1.18 0.00 0.00 32.58 29.42 1wvk s HIS 3 CO 0.16 -0.09 1.18 -1.01 -0.65 0.00 0.00 174.74 174.33 1wvk s HIS 4 N 0.61 2.36 0.13 3.88 4.02 -1.26 -5.05 115.29 119.98 1wvk s HIS 4 Ca -0.01 1.55 0.08 0.00 1.02 0.00 0.00 55.06 57.70 1wvk s HIS 4 Cb -0.14 -3.39 -0.04 0.00 -1.02 0.00 0.00 32.58 27.99 1wvk s HIS 4 CO 0.02 -2.16 -0.19 -1.01 1.02 0.00 0.00 174.74 172.42 1wvk s HIS 5 N -1.90 1.78 0.31 1.40 0.09 -1.26 -5.13 115.29 110.60 1wvk s HIS 5 Ca 0.74 -0.45 -0.28 0.00 -0.00 0.00 0.00 55.06 55.07 1wvk s HIS 5 Cb -0.27 -0.93 -0.09 0.00 -0.00 0.00 0.00 32.58 31.28 1wvk s HIS 5 CO 0.38 0.26 1.09 -3.38 -0.00 0.00 0.00 174.74 173.09 1wvk s HIS 6 N -1.62 3.48 0.14 1.40 -0.00 -1.26 -5.05 115.29 112.38 1wvk s HIS 6 Ca 0.11 1.68 0.06 0.00 -0.00 0.00 0.00 55.06 56.91 1wvk s HIS 6 Cb -0.08 -3.25 -0.04 0.00 -0.00 0.00 0.00 32.58 29.21 1wvk s HIS 6 CO 0.05 -0.61 -0.14 -1.01 -0.00 0.00 0.00 174.74 173.04 1wvk s HIS 7 N -1.29 1.49 0.22 0.38 0.09 -1.26 -5.02 115.29 109.90 1wvk s HIS 7 Ca 0.48 -0.57 0.00 0.00 -0.00 0.00 0.00 55.06 54.97 1wvk s HIS 7 Cb -0.30 -0.76 0.00 0.00 -0.00 0.00 0.00 32.58 31.53 1wvk s HIS 7 CO 0.38 0.20 0.00 -0.11 -0.00 0.00 0.00 174.74 175.20 1wvk n LEU 8 N 0.27 -0.53 -1.12 0.89 7.94 -1.25 -4.32 117.00 118.88 1wvk n LEU 8 Ca -0.13 0.99 -0.15 0.00 -1.11 0.00 0.00 56.01 55.61 1wvk n LEU 8 Cb 0.58 -0.76 -0.06 0.00 0.53 0.00 0.00 43.42 43.70 1wvk n LEU 8 CO 0.29 -0.49 -0.14 1.21 -1.11 0.00 0.00 177.39 177.15 1wvk n GLU 9 N -2.29 -1.13 -3.68 1.96 4.07 -1.12 -4.57 120.64 113.89 1wvk n GLU 9 Ca -0.01 1.01 0.02 0.00 -0.06 0.00 0.00 57.16 58.11 1wvk n GLU 9 Cb 0.21 -5.17 -0.00 0.00 -0.06 0.00 0.00 31.44 26.42 1wvk n GLU 9 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1wvk s GLY 10 N -2.77 -0.37 0.00 8.31 0.00 -1.02 -4.53 107.32 106.93 1wvk s GLY 10 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1wvk s GLY 10 CO 0.00 1.17 0.00 0.61 0.00 0.00 0.00 173.10 174.88 1wvk n GLY 11 N -0.57 1.97 0.00 0.20 0.00 -1.26 -2.48 105.19 103.04 1wvk n GLY 11 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1wvk n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvk n GLY 12 N 0.00 1.66 6.60 -0.02 0.00 -1.26 -4.97 105.19 107.20 1wvk n GLY 12 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1wvk n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wvk n ASN 13 N 0.00 -4.00 0.00 1.61 4.13 -1.26 -5.03 115.26 110.71 1wvk n ASN 13 Ca 0.00 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1wvk n ASN 13 Cb 0.00 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1wvk n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wvk n ALA 14 N -0.12 0.00 -0.23 5.41 0.00 -1.26 -5.02 120.51 119.29 1wvk n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wvk n ALA 14 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1wvk n ALA 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wvk n GLN 15 N 0.00 0.00 -0.01 0.00 1.13 -1.26 -4.68 117.38 112.56 1wvk n GLN 15 Ca 0.00 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.16 1wvk n GLN 15 Cb 0.00 -0.23 0.57 0.00 0.11 0.00 0.00 30.24 30.69 1wvk n GLN 15 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1wvk n LYS 16 N -2.23 1.11 -0.04 -1.09 4.76 -1.26 -3.59 118.16 115.82 1wvk n LYS 16 Ca 0.00 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1wvk n LYS 16 Cb 0.00 -1.33 0.02 0.00 -1.84 0.00 0.00 35.03 31.88 1wvk n LYS 16 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wvk n SER 17 N -0.65 0.96 0.20 4.39 7.64 -1.26 -2.68 113.62 122.22 1wvk n SER 17 Ca 0.15 -2.04 0.08 0.00 1.01 0.00 0.00 58.87 58.08 1wvk n SER 17 Cb 0.11 -0.36 0.35 0.00 -1.01 0.00 0.00 64.21 63.29 1wvk n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wvk h ALA 18 N 2.41 0.95 0.00 -0.43 0.00 -1.81 -3.21 119.26 117.18 1wvk h ALA 18 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wvk h ALA 18 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wvk h ALA 18 CO 0.02 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1wvk n MET 19 N -3.37 0.00 -0.11 0.00 0.00 -1.23 -4.77 117.12 107.64 1wvk n MET 19 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.61 1wvk n MET 19 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.70 1wvk n MET 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wvk h ALA 20 N 0.00 0.42 -2.14 3.17 0.00 -1.77 -3.34 119.26 115.60 1wvk h ALA 20 Ca 0.00 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 54.18 1wvk h ALA 20 Cb 0.00 -0.12 -0.39 0.00 0.00 0.00 0.00 17.79 17.27 1wvk h ALA 20 CO 0.00 0.05 -1.01 0.54 0.00 0.00 0.00 179.25 178.83 1wvk n ARG 21 N -4.68 0.80 -2.56 0.00 1.74 -1.25 -5.02 116.66 105.69 1wvk n ARG 21 Ca -0.02 -3.39 -0.43 0.00 -0.77 0.00 0.00 57.85 53.24 1wvk n ARG 21 Cb 0.17 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.13 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wvk s ALA 22 N -1.03 3.67 -0.64 7.54 0.00 -1.21 -4.17 121.76 125.92 1wvk s ALA 22 Ca 0.35 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.46 1wvk s ALA 22 Cb 0.13 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1wvk s ALA 22 CO -0.12 -1.08 0.64 0.36 0.00 0.00 0.00 175.76 175.56 1wvk n LYS 23 N 6.37 -1.75 -3.80 0.00 2.85 -1.26 -4.88 118.16 115.69 1wvk n LYS 23 Ca 0.13 1.27 -0.12 0.00 -1.05 0.00 0.00 58.31 58.53 1wvk n LYS 23 Cb 0.46 -3.16 -0.09 0.00 -0.65 0.00 0.00 35.03 31.59 1wvk n LYS 23 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1wvk s ASN 24 N -2.44 -0.09 0.00 -5.58 3.84 -1.04 -2.44 114.94 107.19 1wvk s ASN 24 Ca 0.16 -0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.12 1wvk s ASN 24 Cb -0.02 0.29 0.00 0.00 -0.55 0.00 0.00 41.25 40.97 1wvk s ASN 24 CO 0.85 -0.48 0.00 -0.11 -2.79 0.00 0.00 177.10 174.57 1wvk n LEU 25 N 1.07 0.00 -4.71 3.21 7.94 -1.23 -4.56 117.00 118.72 1wvk n LEU 25 Ca -0.21 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.41 1wvk n LEU 25 Cb 0.57 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.44 1wvk n LEU 25 CO 0.22 -0.02 -0.22 -1.61 -1.11 0.00 0.00 177.39 174.64 1wvk s GLU 26 N -0.04 2.11 -0.33 1.96 0.41 -1.26 -4.98 118.70 116.57 1wvk s GLU 26 Ca 0.00 -2.12 0.01 0.00 -0.41 0.00 0.00 54.97 52.44 1wvk s GLU 26 Cb 0.00 -1.73 0.08 0.00 -1.78 0.00 0.00 34.13 30.70 1wvk s GLU 26 CO 0.00 -0.20 0.04 0.15 -0.49 0.00 0.00 175.26 174.76 1wvk s LYS 27 N -3.85 2.02 0.35 1.61 1.02 -1.26 -3.89 119.74 115.74 1wvk s LYS 27 Ca 0.28 -1.59 -0.17 0.00 0.02 0.00 0.00 55.97 54.51 1wvk s LYS 27 Cb 0.05 -3.22 0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1wvk s LYS 27 CO 0.15 -0.81 0.78 0.00 -0.92 0.00 0.00 175.35 174.56 1wvk s ALA 28 N 1.09 -0.89 -0.34 5.17 0.00 -1.26 -5.12 121.76 120.41 1wvk s ALA 28 Ca 0.02 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1wvk s ALA 28 Cb -0.20 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.63 1wvk s ALA 28 CO -0.05 -1.00 1.54 -1.59 0.00 0.00 0.00 175.76 174.66 1wvk s LYS 29 N -2.70 3.59 0.19 0.00 -2.85 -1.26 -4.93 119.74 111.78 1wvk s LYS 29 Ca 0.15 1.23 -0.10 0.00 -1.00 0.00 0.00 55.97 56.24 1wvk s LYS 29 Cb -0.05 -4.05 -0.01 0.00 -2.06 0.00 0.00 37.83 31.66 1wvk s LYS 29 CO 0.10 -1.54 0.34 0.00 0.10 0.00 0.00 175.35 174.36 1wvk s ALA 30 N 5.64 -0.08 -0.34 0.59 0.00 -1.26 -4.93 121.76 121.38 1wvk s ALA 30 Ca 0.67 -0.87 0.23 0.00 0.00 0.00 0.00 51.96 51.99 1wvk s ALA 30 Cb -0.18 0.94 0.10 0.00 0.00 0.00 0.00 23.12 23.99 1wvk s ALA 30 CO 0.31 -0.71 1.16 0.00 0.00 0.00 0.00 175.76 176.52 1wvk h ALA 31 N 2.44 0.57 -0.78 0.00 0.00 -1.93 -3.49 119.26 116.07 1wvk h ALA 31 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wvk h ALA 31 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wvk h ALA 31 CO 0.44 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1wvk n GLY 32 N 1.20 2.65 5.00 0.00 0.00 -1.26 -4.87 105.19 107.91 1wvk n GLY 32 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1wvk n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wvk n LYS 33 N 6.74 0.00 0.00 1.61 4.76 -1.26 -4.59 118.16 125.42 1wvk n LYS 33 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wvk n LYS 33 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1wvk n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wvk n GLY 34 N 0.00 0.93 3.64 0.72 0.00 -1.26 -4.92 105.19 104.29 1wvk n GLY 34 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 1wvk n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wvk s SER 35 N 0.00 -0.47 -0.14 1.61 0.15 -1.26 -4.89 113.70 108.70 1wvk s SER 35 Ca 0.00 0.83 -0.17 0.00 0.70 0.00 0.00 55.95 57.30 1wvk s SER 35 Cb 0.00 1.01 0.04 0.00 -1.71 0.00 0.00 66.02 65.36 1wvk s SER 35 CO 0.00 -0.14 0.47 0.00 1.20 0.00 0.00 173.24 174.77 1wvk s GLN 36 N 0.76 0.61 0.00 5.44 -2.07 -1.26 -4.91 119.66 118.23 1wvk s GLN 36 Ca -0.03 0.51 0.00 0.00 -1.82 0.00 0.00 55.36 54.02 1wvk s GLN 36 Cb -0.04 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.17 1wvk s GLN 36 CO -0.11 -0.10 0.00 1.28 -1.32 0.00 0.00 175.29 175.04 1wvk n LEU 37 N 2.45 0.00 0.05 2.60 4.32 -1.26 -4.48 117.00 120.68 1wvk n LEU 37 Ca -0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.82 1wvk n LEU 37 Cb 0.57 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.35 1wvk n LEU 37 CO 0.13 0.00 0.20 -0.33 -1.22 0.00 0.00 177.39 176.17 1wvk h GLU 38 N 0.00 -0.15 -0.26 3.23 4.39 -1.95 -3.47 114.58 116.37 1wvk h GLU 38 Ca 0.00 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1wvk h GLU 38 Cb 0.00 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1wvk h GLU 38 CO 0.00 -0.10 -0.10 0.00 -1.16 0.00 0.00 179.01 177.65 1wvk n ALA 39 N -2.21 -0.08 -2.56 3.43 0.00 -1.26 -4.97 120.51 112.84 1wvk n ALA 39 Ca -0.02 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 1wvk n ALA 39 Cb 0.06 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 1wvk n ALA 39 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wvk s ASN 40 N -2.36 7.10 -0.00 0.00 0.01 -1.26 -4.84 114.94 113.59 1wvk s ASN 40 Ca 0.00 1.61 0.00 0.00 -0.71 0.00 0.00 52.86 53.77 1wvk s ASN 40 Cb 0.00 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.12 1wvk s ASN 40 CO 0.00 -0.60 1.00 1.17 -1.51 0.00 0.00 177.10 177.17 1wvk n LYS 41 N 5.65 0.00 -1.92 -0.60 4.81 -1.26 -4.79 118.16 120.05 1wvk n LYS 41 Ca 0.11 -1.02 -0.34 0.00 -0.87 0.00 0.00 58.31 56.20 1wvk n LYS 41 Cb 0.47 -0.49 0.03 0.00 0.02 0.00 0.00 35.03 35.06 1wvk n LYS 41 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1wvk s LYS 42 N -0.00 2.97 0.00 1.64 -2.85 -1.26 -3.09 119.74 117.14 1wvk s LYS 42 Ca 0.01 1.48 0.00 0.00 -1.00 0.00 0.00 55.97 56.46 1wvk s LYS 42 Cb 0.01 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 1wvk s LYS 42 CO -0.00 -1.13 0.00 0.00 0.10 0.00 0.00 175.35 174.31 1wvk n ALA 43 N -2.04 0.00 -1.16 0.59 0.00 -1.26 -2.73 120.51 113.90 1wvk n ALA 43 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 1wvk n ALA 43 Cb 0.52 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1wvk n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wvk n MET 44 N -0.42 -0.63 0.00 0.00 2.81 -1.18 -4.83 117.12 112.87 1wvk n MET 44 Ca 0.00 0.59 0.00 0.00 -1.81 0.00 0.00 57.70 56.48 1wvk n MET 44 Cb 0.32 -4.35 0.00 0.00 -0.71 0.00 0.00 33.22 28.48 1wvk n MET 44 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1wvk n SER 45 N 0.35 0.00 -4.39 7.83 3.41 -1.11 -4.57 113.62 115.15 1wvk n SER 45 Ca -0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.25 1wvk n SER 45 Cb 0.24 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.05 1wvk n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wvk s ILE 46 N 0.00 2.40 -0.11 -1.33 1.01 -0.41 -4.86 121.20 117.91 1wvk s ILE 46 Ca 0.00 -1.24 -0.00 0.00 0.00 0.00 0.00 60.65 59.41 1wvk s ILE 46 Cb 0.00 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1wvk s ILE 46 CO 0.00 0.40 -0.10 -1.58 0.00 0.00 0.00 174.94 173.66 1wvk s GLN 47 N -1.19 3.16 0.25 2.79 2.00 -1.25 -0.79 119.66 124.64 1wvk s GLN 47 Ca 0.12 -0.62 -0.30 0.00 -2.00 0.00 0.00 55.36 52.57 1wvk s GLN 47 Cb -0.10 -2.64 -0.10 0.00 0.80 0.00 0.00 33.01 30.97 1wvk s GLN 47 CO 0.03 0.39 1.40 0.00 -0.50 0.00 0.00 175.29 176.60 1wvk h LYS 49 N 4.82 0.00 -0.19 0.00 3.11 -1.06 -2.88 116.57 120.36 1wvk h LYS 49 Ca -0.46 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.30 1wvk h LYS 49 Cb 1.22 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 1wvk h LYS 49 CO 0.76 0.14 -0.23 -0.39 -2.81 0.00 0.00 179.45 176.92 1wvk h VAL 50 N 0.00 1.24 0.00 2.00 -1.51 -1.89 -3.45 116.25 112.64 1wvk h VAL 50 Ca -0.00 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1wvk h VAL 50 Cb 0.32 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1wvk h VAL 50 CO 0.02 0.36 0.00 0.00 -1.23 0.00 0.00 177.57 176.71 1wvk n MET 52 N -0.69 0.00 -2.82 0.00 1.56 -1.15 -4.88 117.12 109.14 1wvk n MET 52 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.26 1wvk n MET 52 Cb 0.00 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.42 1wvk n MET 52 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1wvk n GLN 53 N 0.00 0.68 -4.31 2.12 1.13 -1.26 -4.72 117.38 111.02 1wvk n GLN 53 Ca 0.00 -2.72 -0.22 0.00 -1.94 0.00 0.00 57.00 52.12 1wvk n GLN 53 Cb 0.00 -0.12 -0.11 0.00 0.11 0.00 0.00 30.24 30.11 1wvk n GLN 53 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1wvk s THR 54 N -2.12 1.72 0.03 5.09 -1.32 -1.26 0.13 115.64 117.90 1wvk s THR 54 Ca 0.48 -1.81 0.01 0.00 -1.21 0.00 0.00 61.69 59.16 1wvk s THR 54 Cb -0.04 -1.74 -0.02 0.00 -1.51 0.00 0.00 72.50 69.19 1wvk s THR 54 CO 0.31 -0.28 -0.05 -0.36 -2.21 0.00 0.00 174.62 172.02 1wvk s PHE 55 N -1.89 0.46 0.11 9.09 0.08 0.03 -4.86 117.98 121.01 1wvk s PHE 55 Ca 0.13 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.46 1wvk s PHE 55 Cb -0.06 -0.29 -0.07 0.00 -0.57 0.00 0.00 43.02 42.03 1wvk s PHE 55 CO 0.06 -0.10 1.19 -1.50 -0.10 0.00 0.00 175.22 174.77 1wvk s ILE 56 N -1.13 3.85 -0.22 0.64 1.10 -1.26 -1.29 121.20 122.88 1wvk s ILE 56 Ca -0.10 1.42 0.28 0.00 -0.51 0.00 0.00 60.65 61.74 1wvk s ILE 56 Cb -0.08 -3.91 0.35 0.00 0.15 0.00 0.00 42.46 38.97 1wvk s ILE 56 CO -0.00 0.16 1.81 0.00 -2.11 0.00 0.00 174.94 174.80 1wvk n THR 58 N -2.93 0.00 0.00 0.00 5.66 -1.26 -3.94 114.28 111.81 1wvk n THR 58 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1wvk n THR 58 Cb 0.39 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 1wvk n THR 58 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1wvk n THR 59 N -1.29 0.00 -1.88 1.09 -1.04 -1.26 -5.03 114.28 104.87 1wvk n THR 59 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wvk n THR 59 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1wvk n THR 59 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1wvk n SER 60 N -0.61 0.00 0.00 8.00 3.41 -1.25 -5.04 113.62 118.13 1wvk n SER 60 Ca 0.00 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1wvk n SER 60 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wvk n SER 60 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1wvk n GLU 61 N 0.00 0.00 -0.33 4.33 2.13 -1.26 -4.50 120.64 121.01 1wvk n GLU 61 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 1wvk n GLU 61 Cb 0.47 0.00 0.26 0.00 0.27 0.00 0.00 31.44 32.44 1wvk n GLU 61 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1wvk h VAL 62 N 0.00 0.95 -0.76 6.31 -1.51 -1.96 0.51 116.25 119.79 1wvk h VAL 62 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1wvk h VAL 62 Cb 0.00 -0.10 -0.04 0.00 -2.13 0.00 0.00 31.29 29.02 1wvk h VAL 62 CO 0.00 0.18 0.48 0.50 -1.23 0.00 0.00 177.57 177.50 1wvk h LYS 63 N 0.97 1.01 0.03 5.19 3.11 -1.99 -0.07 116.57 124.82 1wvk h LYS 63 Ca 0.46 -0.08 -0.21 0.00 -2.81 0.00 0.00 60.65 58.01 1wvk h LYS 63 Cb 0.44 -0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1wvk h LYS 63 CO -0.22 0.69 -0.98 0.00 -2.81 0.00 0.00 179.45 176.14 1wvk h ARG 65 N 0.05 -0.03 -0.22 0.00 3.08 0.78 0.15 114.38 118.18 1wvk h ARG 65 Ca -0.04 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1wvk h ARG 65 Cb 1.67 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.72 1wvk h ARG 65 CO 0.14 -0.02 -0.23 1.05 -1.07 0.00 0.00 179.97 179.84 1wvk h GLU 66 N -0.03 0.40 -0.00 0.04 4.11 -1.13 -0.40 114.58 117.57 1wvk h GLU 66 Ca 0.00 -0.14 -0.15 0.00 0.07 0.00 0.00 59.36 59.14 1wvk h GLU 66 Cb 0.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1wvk h GLU 66 CO -0.01 0.62 -0.72 1.25 0.07 0.00 0.00 179.01 180.21 1wvk h HIS 67 N 0.36 0.03 -0.10 2.06 2.76 -1.39 -2.66 115.15 116.22 1wvk h HIS 67 Ca 0.06 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 1wvk h HIS 67 Cb 0.61 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1wvk h HIS 67 CO 0.02 0.74 -0.17 0.00 -1.30 0.00 0.00 177.93 177.21 1wvk h ALA 68 N 1.26 0.15 0.00 5.26 0.00 -0.01 -2.80 119.26 123.11 1wvk h ALA 68 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1wvk h ALA 68 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wvk h ALA 68 CO 0.10 0.06 0.00 -0.85 0.00 0.00 0.00 179.25 178.56 1wvk n GLU 69 N -4.57 0.07 0.09 0.00 0.28 -0.22 -0.55 120.64 115.74 1wvk n GLU 69 Ca -0.07 0.27 -0.07 0.00 -0.16 0.00 0.00 57.16 57.12 1wvk n GLU 69 Cb 0.39 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.64 1wvk n GLU 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wvk h ALA 70 N 2.49 0.56 -3.00 -1.84 0.00 -1.29 -3.45 119.26 112.73 1wvk h ALA 70 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1wvk h ALA 70 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wvk h ALA 70 CO 0.00 0.94 0.00 1.63 0.00 0.00 0.00 179.25 181.82 1wvk n LYS 71 N -3.64 0.00 -3.96 0.00 4.76 -0.33 -5.04 118.16 109.95 1wvk n LYS 71 Ca -0.03 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.07 1wvk n LYS 71 Cb 0.80 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.98 1wvk n LYS 71 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1wvk n HIS 72 N -0.35 -1.60 -0.12 2.13 -0.00 0.29 -4.89 115.22 110.68 1wvk n HIS 72 Ca 0.00 0.46 -0.10 0.00 -0.00 0.00 0.00 57.72 58.08 1wvk n HIS 72 Cb 0.00 -3.26 -0.02 0.00 -0.00 0.00 0.00 29.99 26.71 1wvk n HIS 72 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1wvk h PRO 73 N -2.06 0.57 -0.50 1.57 0.11 -1.96 -3.43 132.00 126.30 1wvk h PRO 73 Ca -0.67 -0.15 0.18 0.00 0.11 0.00 0.00 66.00 65.47 1wvk h PRO 73 Cb 1.38 -0.07 -0.20 0.00 0.11 0.00 0.00 31.00 32.22 1wvk h PRO 73 CO 0.57 0.65 -0.03 -1.59 -0.21 0.00 0.00 178.00 177.38 1wvk s LYS 74 N -5.18 0.28 -0.24 1.05 -2.85 -1.26 -5.11 119.74 106.43 1wvk s LYS 74 Ca -0.13 0.42 -0.29 0.00 -1.00 0.00 0.00 55.97 54.97 1wvk s LYS 74 Cb 0.09 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1wvk s LYS 74 CO 0.76 -0.39 1.79 0.00 0.10 0.00 0.00 175.35 177.61 1wvk s ALA 75 N 2.92 3.08 0.00 0.59 0.00 -1.26 -4.93 121.76 122.16 1wvk s ALA 75 Ca 0.11 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1wvk s ALA 75 Cb -0.09 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1wvk s ALA 75 CO -0.18 -2.28 0.00 -0.25 0.00 0.00 0.00 175.76 173.05 1wvk n ASP 76 N 9.47 0.00 0.05 0.00 9.92 -1.26 -4.10 116.55 130.64 1wvk n ASP 76 Ca 0.22 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.60 1wvk n ASP 76 Cb 0.45 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 41.07 1wvk n ASP 76 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1wvk n VAL 77 N 0.00 0.33 1.29 2.53 0.24 -1.26 -3.20 118.33 118.26 1wvk n VAL 77 Ca 0.00 -0.27 0.07 0.00 -2.04 0.00 0.00 64.34 62.09 1wvk n VAL 77 Cb 0.00 -0.07 0.25 0.00 -1.47 0.00 0.00 33.84 32.55 1wvk n VAL 77 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1wvk n VAL 78 N -2.10 0.26 0.46 3.34 0.24 -1.26 -3.91 118.33 115.36 1wvk n VAL 78 Ca 0.03 -0.31 0.04 0.00 -2.04 0.00 0.00 64.34 62.06 1wvk n VAL 78 Cb 0.44 0.18 0.23 0.00 -1.47 0.00 0.00 33.84 33.22 1wvk n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wvk n ALA 79 N 0.16 1.69 0.22 2.33 0.00 -1.19 -0.96 120.51 122.74 1wvk n ALA 79 Ca 0.12 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.61 1wvk n ALA 79 Cb 0.24 -1.13 0.39 0.00 0.00 0.00 0.00 19.45 18.94 1wvk n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvk s PHE 81 N -3.50 -1.69 -2.00 0.00 5.36 -0.14 -0.43 117.98 115.58 1wvk s PHE 81 Ca 0.02 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.13 1wvk s PHE 81 Cb 0.09 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 1wvk s PHE 81 CO 0.65 -1.17 0.16 -2.30 -1.46 0.00 0.00 175.22 171.10 1wvk n PRO 82 N 4.21 0.00 -0.20 10.12 -0.02 -1.12 -1.30 135.00 146.69 1wvk n PRO 82 Ca 0.12 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.72 1wvk n PRO 82 Cb 0.57 -1.16 0.24 0.00 -0.02 0.00 0.00 33.50 33.13 1wvk n PRO 82 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1wvk n HIS 83 N -0.66 0.53 0.19 6.00 8.25 -1.26 -4.05 115.22 124.22 1wvk n HIS 83 Ca 0.00 -0.26 0.07 0.00 -0.26 0.00 0.00 57.72 57.27 1wvk n HIS 83 Cb 0.00 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.24 1wvk n HIS 83 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wvk n LEU 84 N 1.41 2.69 0.01 2.41 4.77 -0.42 -3.87 117.00 124.01 1wvk n LEU 84 Ca 0.20 -1.49 -0.12 0.00 -0.03 0.00 0.00 56.01 54.56 1wvk n LEU 84 Cb 0.58 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1wvk n LEU 84 CO 0.16 0.60 0.51 0.11 -1.33 0.00 0.00 177.39 177.43 1wvk h LYS 85 N 2.73 -0.47 0.00 3.23 1.79 -1.79 -3.50 116.57 118.56 1wvk h LYS 85 Ca 0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1wvk h LYS 85 Cb 0.70 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1wvk h LYS 85 CO 0.00 -0.31 0.00 1.17 -1.08 0.00 0.00 179.45 179.23