#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 0.00 1.61 -0.00 -1.26 -4.98 115.22 110.59 1wvk n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1wvk n HIS 2 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 1wvk n HIS 2 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1wvk n HIS 3 N 0.00 -0.09 -3.72 -1.40 -0.00 -1.26 -5.15 115.22 103.60 1wvk n HIS 3 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1wvk n HIS 3 Cb 0.54 0.02 -0.01 0.00 -0.00 0.00 0.00 29.99 30.54 1wvk n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1wvk s HIS 4 N -1.13 -0.14 0.00 1.57 5.04 -1.26 -5.11 115.29 114.26 1wvk s HIS 4 Ca 0.00 -0.14 0.00 0.00 -1.54 0.00 0.00 55.06 53.38 1wvk s HIS 4 Cb 0.00 0.62 0.00 0.00 0.04 0.00 0.00 32.58 33.24 1wvk s HIS 4 CO 0.00 -0.75 0.82 0.72 -2.34 0.00 0.00 174.74 173.18 1wvk n HIS 5 N -0.46 0.00 -4.54 3.88 8.25 -1.26 -4.87 115.22 116.22 1wvk n HIS 5 Ca -0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.08 1wvk n HIS 5 Cb 0.61 -0.46 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 1wvk n HIS 5 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1wvk s HIS 6 N -2.55 1.82 -0.26 4.41 4.02 -1.26 -4.97 115.29 116.51 1wvk s HIS 6 Ca 0.00 -0.92 -0.03 0.00 1.02 0.00 0.00 55.06 55.13 1wvk s HIS 6 Cb 0.00 -1.69 0.09 0.00 -1.02 0.00 0.00 32.58 29.96 1wvk s HIS 6 CO 0.00 0.06 0.10 -1.01 1.02 0.00 0.00 174.74 174.92 1wvk s HIS 7 N -2.85 0.69 -0.17 1.40 0.09 -1.26 -5.00 115.29 108.19 1wvk s HIS 7 Ca 0.13 -0.95 -0.08 0.00 -0.00 0.00 0.00 55.06 54.16 1wvk s HIS 7 Cb 0.01 -1.05 0.03 0.00 -0.00 0.00 0.00 32.58 31.57 1wvk s HIS 7 CO 0.08 -0.75 0.16 -0.11 -0.00 0.00 0.00 174.74 174.11 1wvk n LEU 8 N 5.14 -5.62 0.04 0.89 7.94 -1.26 -4.97 117.00 119.17 1wvk n LEU 8 Ca -0.06 1.70 -0.03 0.00 -1.11 0.00 0.00 56.01 56.51 1wvk n LEU 8 Cb 0.44 -2.84 -0.08 0.00 0.53 0.00 0.00 43.42 41.47 1wvk n LEU 8 CO 0.08 -3.09 -0.14 -0.33 -1.11 0.00 0.00 177.39 172.79 1wvk h GLU 9 N 3.08 0.00 0.00 1.96 4.39 -1.94 -3.48 114.58 118.58 1wvk h GLU 9 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1wvk h GLU 9 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1wvk h GLU 9 CO 0.02 0.49 0.00 0.41 -1.16 0.00 0.00 179.01 178.78 1wvk n GLY 10 N 1.40 3.61 0.00 -3.84 0.00 -1.26 -5.05 105.19 100.05 1wvk n GLY 10 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1wvk n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvk n GLY 11 N 0.00 1.22 0.00 -0.02 0.00 -1.26 -5.03 105.19 100.09 1wvk n GLY 11 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.20 2.58 -0.02 0.00 -1.26 -5.00 105.19 101.69 1wvk n GLY 12 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1wvk n GLY 12 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wvk n ASN 13 N 0.00 -2.04 -3.45 1.61 5.15 -1.26 -5.10 115.26 110.17 1wvk n ASN 13 Ca 0.00 1.32 -0.09 0.00 -0.60 0.00 0.00 54.58 55.21 1wvk n ASN 13 Cb 0.00 -5.14 -0.01 0.00 -0.53 0.00 0.00 39.78 34.10 1wvk n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wvk s ALA 14 N -0.86 -0.72 0.39 5.20 0.00 -1.26 -5.02 121.76 119.49 1wvk s ALA 14 Ca -0.22 -0.67 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1wvk s ALA 14 Cb 0.01 0.84 0.83 0.00 0.00 0.00 0.00 23.12 24.80 1wvk s ALA 14 CO 0.77 -0.97 2.02 -0.56 0.00 0.00 0.00 175.76 177.01 1wvk h GLN 15 N 2.04 0.60 -0.85 0.00 3.07 -2.05 -1.59 115.11 116.33 1wvk h GLN 15 Ca -0.26 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.42 1wvk h GLN 15 Cb 1.25 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 28.66 1wvk h GLN 15 CO 0.33 0.40 0.03 1.63 0.09 0.00 0.00 178.83 181.31 1wvk n LYS 16 N -4.47 2.50 0.02 0.06 5.02 -1.26 -3.80 118.16 116.23 1wvk n LYS 16 Ca 0.06 -1.31 0.11 0.00 -2.02 0.00 0.00 58.31 55.16 1wvk n LYS 16 Cb 0.15 -1.78 -0.11 0.00 -0.02 0.00 0.00 35.03 33.26 1wvk n LYS 16 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wvk n SER 17 N 0.21 0.30 -0.46 4.39 2.88 -0.60 -4.43 113.62 115.92 1wvk n SER 17 Ca 0.13 -0.03 0.37 0.00 -1.33 0.00 0.00 58.87 58.02 1wvk n SER 17 Cb 0.69 1.50 0.66 0.00 -0.75 0.00 0.00 64.21 66.31 1wvk n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wvk h ALA 18 N 2.12 2.85 0.00 -1.46 0.00 -1.75 -1.14 119.26 119.87 1wvk h ALA 18 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wvk h ALA 18 Cb 0.94 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wvk h ALA 18 CO 0.00 -1.43 -0.78 -1.33 0.00 0.00 0.00 179.25 175.71 1wvk n MET 19 N -4.57 0.00 -0.09 0.00 2.81 -1.26 -4.39 117.12 109.62 1wvk n MET 19 Ca 0.36 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 56.15 1wvk n MET 19 Cb 1.44 -0.88 -0.03 0.00 -0.71 0.00 0.00 33.22 33.03 1wvk n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wvk h ALA 20 N 0.00 0.37 -0.04 3.04 0.00 -1.75 -3.26 119.26 117.62 1wvk h ALA 20 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1wvk h ALA 20 Cb 0.78 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wvk h ALA 20 CO 0.00 0.03 -0.22 0.54 0.00 0.00 0.00 179.25 179.60 1wvk n ARG 21 N -4.68 1.55 0.03 0.00 3.00 -0.54 -4.73 116.66 111.29 1wvk n ARG 21 Ca -0.03 -2.95 0.07 0.00 -0.01 0.00 0.00 57.85 54.93 1wvk n ARG 21 Cb 0.19 -1.59 0.49 0.00 0.00 0.00 0.00 32.46 31.54 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wvk h ALA 22 N 0.60 1.84 -0.14 7.54 0.00 -1.31 0.47 119.26 128.26 1wvk h ALA 22 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wvk h ALA 22 Cb 1.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1wvk h ALA 22 CO 0.04 0.12 0.00 1.63 0.00 0.00 0.00 179.25 181.04 1wvk n LYS 23 N -4.48 1.82 -0.08 0.00 4.76 -1.26 -4.05 118.16 114.86 1wvk n LYS 23 Ca 0.03 -1.22 -0.13 0.00 -2.87 0.00 0.00 58.31 54.13 1wvk n LYS 23 Cb 0.14 -1.43 -0.08 0.00 -1.84 0.00 0.00 35.03 31.82 1wvk n LYS 23 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1wvk h ASN 24 N 2.59 0.00 -0.14 4.39 -1.24 -1.24 -3.44 115.58 116.51 1wvk h ASN 24 Ca 0.00 -0.45 0.27 0.00 0.71 0.00 0.00 56.30 56.84 1wvk h ASN 24 Cb 0.56 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 39.38 1wvk h ASN 24 CO 0.00 1.05 0.37 -0.22 -1.29 0.00 0.00 177.43 177.34 1wvk s LEU 25 N -8.14 -0.13 -0.01 0.34 2.96 -1.18 -4.94 118.68 107.59 1wvk s LEU 25 Ca -0.19 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1wvk s LEU 25 Cb 0.02 1.12 -0.11 0.00 0.50 0.00 0.00 46.19 47.72 1wvk s LEU 25 CO 0.44 -0.02 0.22 -0.62 -1.32 0.00 0.00 176.35 175.05 1wvk n GLU 26 N 5.13 1.55 0.00 1.98 1.02 -1.26 -4.69 120.64 124.37 1wvk n GLU 26 Ca -0.08 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1wvk n GLU 26 Cb 0.55 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1wvk n GLU 26 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wvk n LYS 27 N -1.59 0.00 0.00 3.49 5.02 -1.26 -4.46 118.16 119.36 1wvk n LYS 27 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1wvk n LYS 27 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1wvk n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wvk n ALA 28 N 3.05 0.00 -2.49 7.82 0.00 -1.26 -5.12 120.51 122.51 1wvk n ALA 28 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1wvk n ALA 28 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1wvk n ALA 28 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wvk s LYS 29 N 0.00 2.47 0.52 0.00 1.02 -1.26 -5.02 119.74 117.48 1wvk s LYS 29 Ca 0.00 -0.72 0.34 0.00 0.02 0.00 0.00 55.97 55.61 1wvk s LYS 29 Cb 0.00 -2.38 1.46 0.00 -0.52 0.00 0.00 37.83 36.40 1wvk s LYS 29 CO 0.00 0.62 1.99 0.00 -0.92 0.00 0.00 175.35 177.04 1wvk h ALA 30 N 5.21 1.00 0.00 5.17 0.00 -2.00 -3.39 119.26 125.24 1wvk h ALA 30 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wvk h ALA 30 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wvk h ALA 30 CO 0.50 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1wvk n ALA 31 N -2.03 3.00 0.00 0.00 0.00 -1.26 -5.16 120.51 115.06 1wvk n ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wvk n ALA 31 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1wvk n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wvk n GLY 32 N 1.92 -0.41 0.00 0.00 0.00 -1.26 -4.98 105.19 100.46 1wvk n GLY 32 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1wvk n GLY 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wvk n LYS 33 N 0.00 0.00 -1.69 1.61 3.00 -1.26 -4.99 118.16 114.83 1wvk n LYS 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wvk n LYS 33 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 34.92 1wvk n LYS 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wvk n GLY 34 N -0.55 -0.53 2.13 3.14 0.00 -1.26 -5.13 105.19 103.00 1wvk n GLY 34 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 1wvk n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wvk n SER 35 N 0.00 -5.07 -3.88 1.61 2.88 -1.26 -5.07 113.62 102.82 1wvk n SER 35 Ca 0.00 0.67 -0.23 0.00 -1.33 0.00 0.00 58.87 57.98 1wvk n SER 35 Cb 0.00 -3.22 -0.17 0.00 -0.75 0.00 0.00 64.21 60.07 1wvk n SER 35 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1wvk s GLN 36 N -0.97 1.11 0.00 -1.46 -0.44 -1.26 -4.69 119.66 111.95 1wvk s GLN 36 Ca 0.02 -0.14 0.00 0.00 -2.50 0.00 0.00 55.36 52.74 1wvk s GLN 36 Cb -0.01 -1.18 0.00 0.00 -1.64 0.00 0.00 33.01 30.18 1wvk s GLN 36 CO 0.40 -0.18 0.00 -0.11 0.50 0.00 0.00 175.29 175.90 1wvk n LEU 37 N 4.58 0.32 -4.76 3.68 7.94 -1.26 -4.96 117.00 122.54 1wvk n LEU 37 Ca -0.16 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.45 1wvk n LEU 37 Cb 0.50 -0.57 0.15 0.00 0.53 0.00 0.00 43.42 44.03 1wvk n LEU 37 CO 0.18 -0.16 0.70 -1.61 -1.11 0.00 0.00 177.39 175.39 1wvk s GLU 38 N -0.32 0.86 0.59 1.96 0.41 -1.26 -5.07 118.70 115.87 1wvk s GLU 38 Ca 0.00 0.31 -0.02 0.00 -0.41 0.00 0.00 54.97 54.84 1wvk s GLU 38 Cb 0.00 -1.81 0.04 0.00 -1.78 0.00 0.00 34.13 30.58 1wvk s GLU 38 CO 0.00 -2.39 0.86 0.00 -0.49 0.00 0.00 175.26 173.23 1wvk s ALA 39 N -3.21 3.58 -0.17 5.21 0.00 -1.26 -4.99 121.76 120.92 1wvk s ALA 39 Ca 0.65 -1.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 1wvk s ALA 39 Cb -0.15 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 1wvk s ALA 39 CO 0.54 -0.90 1.99 0.54 0.00 0.00 0.00 175.76 177.94 1wvk s ASN 40 N -4.42 5.93 -0.12 0.00 4.22 -1.26 -4.83 114.94 114.46 1wvk s ASN 40 Ca 0.57 1.97 0.15 0.00 -2.14 0.00 0.00 52.86 53.41 1wvk s ASN 40 Cb -0.10 -2.52 0.31 0.00 1.28 0.00 0.00 41.25 40.21 1wvk s ASN 40 CO 0.41 -1.57 1.20 2.29 -2.04 0.00 0.00 177.10 177.39 1wvk n LYS 41 N 8.21 2.01 -0.08 3.55 2.85 -1.26 -4.48 118.16 128.97 1wvk n LYS 41 Ca 0.24 -2.46 0.05 0.00 -1.05 0.00 0.00 58.31 55.10 1wvk n LYS 41 Cb 0.44 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.52 1wvk n LYS 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1wvk n LYS 42 N -0.97 1.42 0.00 -1.58 4.01 -1.26 -3.68 118.16 116.10 1wvk n LYS 42 Ca 0.15 -0.65 0.14 0.00 -0.51 0.00 0.00 58.31 57.43 1wvk n LYS 42 Cb 0.63 -1.21 0.54 0.00 -0.51 0.00 0.00 35.03 34.49 1wvk n LYS 42 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wvk n ALA 43 N -0.02 2.85 -2.34 7.82 0.00 -1.26 -4.96 120.51 122.60 1wvk n ALA 43 Ca 0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 1wvk n ALA 43 Cb 0.17 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.00 -1.41 0.00 0.00 2.81 -1.24 -5.05 117.12 111.23 1wvk n MET 44 Ca 0.13 1.47 0.00 0.00 -1.81 0.00 0.00 57.70 57.48 1wvk n MET 44 Cb 0.30 -4.08 0.00 0.00 -0.71 0.00 0.00 33.22 28.73 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 -0.48 0.00 -3.90 7.83 3.41 -1.26 -4.97 113.62 114.25 1wvk n SER 45 Ca 0.07 0.05 -0.24 0.00 -0.26 0.00 0.00 58.87 58.49 1wvk n SER 45 Cb 0.30 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.11 0.81 0.08 -1.33 1.01 -0.87 -4.88 121.20 115.91 1wvk s ILE 46 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 1wvk s ILE 46 Cb 0.00 -0.83 -0.06 0.00 0.01 0.00 0.00 42.46 41.57 1wvk s ILE 46 CO 0.00 0.31 0.69 -1.58 0.00 0.00 0.00 174.94 174.36 1wvk s GLN 47 N 1.33 4.41 0.04 2.79 0.74 -1.25 0.01 119.66 127.72 1wvk s GLN 47 Ca -0.03 0.94 -0.30 0.00 0.05 0.00 0.00 55.36 56.02 1wvk s GLN 47 Cb -0.14 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1wvk s GLN 47 CO -0.03 0.47 1.06 0.00 -0.55 0.00 0.00 175.29 176.24 1wvk h LYS 49 N 6.60 0.00 -0.12 0.00 3.11 -1.14 -2.50 116.57 122.53 1wvk h LYS 49 Ca -0.42 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.41 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 0.77 0.00 0.02 -0.39 -2.81 0.00 0.00 179.45 177.03 1wvk h VAL 50 N 0.00 1.07 0.00 2.00 -1.51 -1.87 -3.45 116.25 112.49 1wvk h VAL 50 Ca 0.06 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1wvk h VAL 50 Cb 0.26 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1wvk h VAL 50 CO -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 176.43 1wvk n MET 52 N -0.77 0.00 -0.16 0.00 1.56 -1.17 -4.90 117.12 111.68 1wvk n MET 52 Ca 0.00 -0.16 0.00 0.00 -0.27 0.00 0.00 57.70 57.27 1wvk n MET 52 Cb 0.00 0.11 0.00 0.00 2.15 0.00 0.00 33.22 35.48 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 0.47 -4.06 2.12 1.13 -1.25 -4.65 117.38 111.14 1wvk n GLN 53 Ca -0.05 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.94 1wvk n GLN 53 Cb 0.43 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.69 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 -0.37 0.18 0.03 5.09 -1.32 -1.25 -0.04 115.64 117.96 1wvk s THR 54 Ca 0.00 -1.70 -0.00 0.00 -1.21 0.00 0.00 61.69 58.77 1wvk s THR 54 Cb 0.00 -1.59 -0.03 0.00 -1.51 0.00 0.00 72.50 69.38 1wvk s THR 54 CO 0.00 -0.83 -0.03 -0.36 -2.21 0.00 0.00 174.62 171.19 1wvk s PHE 55 N -3.93 0.34 0.20 9.09 0.08 0.10 -4.81 117.98 119.05 1wvk s PHE 55 Ca 0.10 -0.70 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 1wvk s PHE 55 Cb 0.07 -0.25 -0.08 0.00 -0.57 0.00 0.00 43.02 42.19 1wvk s PHE 55 CO -0.08 -0.25 1.16 -1.50 -0.10 0.00 0.00 175.22 174.46 1wvk s ILE 56 N -2.24 3.59 -1.31 0.64 1.10 -1.26 -2.06 121.20 119.66 1wvk s ILE 56 Ca -0.09 1.39 -0.17 0.00 -0.51 0.00 0.00 60.65 61.28 1wvk s ILE 56 Cb -0.04 -3.89 0.02 0.00 0.15 0.00 0.00 42.46 38.70 1wvk s ILE 56 CO -0.04 0.25 2.01 0.00 -2.11 0.00 0.00 174.94 175.05 1wvk n THR 58 N 5.83 0.00 -3.76 0.00 -1.04 -1.26 -4.82 114.28 109.22 1wvk n THR 58 Ca 0.50 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 62.31 1wvk n THR 58 Cb 0.42 0.10 -0.11 0.00 -1.82 0.00 0.00 70.33 68.92 1wvk n THR 58 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wvk s THR 59 N -2.57 -0.00 0.00 12.58 2.01 -1.26 -5.12 115.64 121.28 1wvk s THR 59 Ca 0.24 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1wvk s THR 59 Cb 0.19 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.28 1wvk s THR 59 CO 0.52 0.01 0.19 -1.54 -0.69 0.00 0.00 174.62 173.10 1wvk n SER 60 N 3.09 0.00 0.00 3.53 3.41 -1.26 -5.00 113.62 117.40 1wvk n SER 60 Ca -0.14 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1wvk n SER 60 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.43 0.00 -0.04 4.33 2.13 -1.26 -4.92 120.64 120.45 1wvk n GLU 61 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1wvk n GLU 61 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 1wvk n GLU 61 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wvk h VAL 62 N 0.00 1.30 0.00 6.31 2.07 -1.96 0.20 116.25 124.17 1wvk h VAL 62 Ca 0.00 -1.68 -0.09 0.00 0.82 0.00 0.00 66.70 65.75 1wvk h VAL 62 Cb 0.00 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1wvk h VAL 62 CO 0.00 0.54 -0.43 0.50 0.02 0.00 0.00 177.57 178.20 1wvk h LYS 63 N 0.55 0.00 0.00 1.57 3.11 -1.97 -2.43 116.57 117.41 1wvk h LYS 63 Ca 0.03 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.75 1wvk h LYS 63 Cb 1.03 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.24 1wvk h LYS 63 CO 0.10 0.43 -0.75 0.00 -2.81 0.00 0.00 179.45 176.41 1wvk h ARG 65 N 0.00 0.27 -0.36 0.00 2.43 -0.14 0.41 114.38 116.99 1wvk h ARG 65 Ca -0.04 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1wvk h ARG 65 Cb 1.44 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 1wvk h ARG 65 CO 0.06 0.18 -0.10 1.05 -1.51 0.00 0.00 179.97 179.65 1wvk h GLU 66 N 0.28 0.62 0.00 0.20 4.11 -1.50 -2.30 114.58 115.99 1wvk h GLU 66 Ca 0.14 -0.18 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 1wvk h GLU 66 Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wvk h GLU 66 CO -0.13 0.71 -0.29 1.25 0.07 0.00 0.00 179.01 180.62 1wvk h HIS 67 N 0.57 0.00 0.18 2.06 2.76 -1.31 -2.95 115.15 116.46 1wvk h HIS 67 Ca 0.11 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 1wvk h HIS 67 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1wvk h HIS 67 CO 0.02 0.29 -0.09 0.00 -1.30 0.00 0.00 177.93 176.85 1wvk h ALA 68 N 1.71 -0.24 -0.54 5.26 0.00 0.33 -2.65 119.26 123.13 1wvk h ALA 68 Ca -0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wvk h ALA 68 Cb 0.93 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1wvk h ALA 68 CO 0.04 -0.27 0.36 0.93 0.00 0.00 0.00 179.25 180.31 1wvk h GLU 69 N -0.98 0.56 0.00 0.00 4.39 -1.53 0.17 114.58 117.19 1wvk h GLU 69 Ca -0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1wvk h GLU 69 Cb 0.42 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1wvk h GLU 69 CO 0.04 0.37 0.00 0.00 -1.16 0.00 0.00 179.01 178.26 1wvk n ALA 70 N -2.48 2.13 -1.17 3.43 0.00 -1.12 -4.71 120.51 116.60 1wvk n ALA 70 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1wvk n ALA 70 Cb 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1wvk n ALA 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wvk n LYS 71 N -1.89 0.00 -3.99 0.00 4.76 -0.25 -5.05 118.16 111.74 1wvk n LYS 71 Ca 0.05 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.06 1wvk n LYS 71 Cb 0.34 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.55 1wvk n LYS 71 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1wvk n HIS 72 N -0.54 -1.51 0.38 2.13 1.44 -0.12 -4.92 115.22 112.08 1wvk n HIS 72 Ca 0.00 0.16 -0.15 0.00 -2.01 0.00 0.00 57.72 55.72 1wvk n HIS 72 Cb 0.00 -2.92 -0.07 0.00 0.12 0.00 0.00 29.99 27.12 1wvk n HIS 72 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1wvk h PRO 73 N -2.44 -0.94 0.00 -1.40 0.11 -1.92 -3.44 132.00 121.96 1wvk h PRO 73 Ca -0.70 0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.47 1wvk h PRO 73 Cb 1.40 0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.72 1wvk h PRO 73 CO 0.51 -0.63 -0.01 0.36 -0.21 0.00 0.00 178.00 178.02 1wvk n LYS 74 N -5.24 0.00 0.00 1.05 2.85 -1.26 -5.06 118.16 110.50 1wvk n LYS 74 Ca -0.12 -0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 1wvk n LYS 74 Cb 0.39 0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.79 1wvk n LYS 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wvk n ALA 75 N 0.00 0.00 -0.69 0.58 0.00 -1.26 -4.86 120.51 114.28 1wvk n ALA 75 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1wvk n ALA 75 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1wvk n ALA 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wvk n ASP 76 N 2.23 0.00 0.21 0.00 2.03 -1.26 -0.27 116.55 119.49 1wvk n ASP 76 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 1wvk n ASP 76 Cb 0.00 0.00 0.37 0.00 -0.72 0.00 0.00 41.12 40.77 1wvk n ASP 76 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wvk h VAL 77 N 0.00 0.59 -0.53 5.18 -1.51 -2.02 -2.13 116.25 115.83 1wvk h VAL 77 Ca 0.00 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1wvk h VAL 77 Cb 0.00 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1wvk h VAL 77 CO 0.00 0.26 0.00 1.33 -1.23 0.00 0.00 177.57 177.93 1wvk n VAL 78 N -3.35 1.63 0.41 7.19 0.24 0.63 -4.36 118.33 120.71 1wvk n VAL 78 Ca 0.01 -1.24 0.12 0.00 -2.04 0.00 0.00 64.34 61.19 1wvk n VAL 78 Cb 0.49 0.19 0.49 0.00 -1.47 0.00 0.00 33.84 33.54 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 0.80 1.68 0.26 2.33 0.00 -0.80 -1.38 120.51 123.40 1wvk n ALA 79 Ca 0.22 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.87 1wvk n ALA 79 Cb 0.76 -1.39 0.35 0.00 0.00 0.00 0.00 19.45 19.17 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 -3.35 -1.09 -2.00 0.00 5.36 -0.48 -0.58 117.98 115.84 1wvk s PHE 81 Ca 0.05 -0.64 0.03 0.00 -0.96 0.00 0.00 56.93 55.42 1wvk s PHE 81 Cb 0.07 0.05 0.20 0.00 -0.34 0.00 0.00 43.02 43.00 1wvk s PHE 81 CO 0.62 -1.15 0.56 -2.30 -1.46 0.00 0.00 175.22 171.50 1wvk n PRO 82 N 3.48 0.16 0.00 10.12 -0.02 -1.00 -2.46 135.00 145.29 1wvk n PRO 82 Ca 0.17 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.74 1wvk n PRO 82 Cb 0.54 -1.33 0.43 0.00 -0.02 0.00 0.00 33.50 33.11 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 -0.83 0.00 1.01 6.00 8.25 -1.26 -1.38 115.22 127.01 1wvk n HIS 83 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 1wvk n HIS 83 Cb 0.01 -0.42 0.30 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.42 2.42 -3.55 2.41 4.77 -1.03 -3.81 117.00 116.79 1wvk n LEU 84 Ca 0.06 -0.93 -0.25 0.00 -0.03 0.00 0.00 56.01 54.86 1wvk n LEU 84 Cb 0.19 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 1wvk n LEU 84 CO 0.16 0.46 -0.30 -0.75 -1.33 0.00 0.00 177.39 175.64 1wvk s LYS 85 N -1.82 0.16 0.00 3.23 2.36 -0.48 -4.14 119.74 119.04 1wvk s LYS 85 Ca 0.34 -0.22 0.00 0.00 -2.55 0.00 0.00 55.97 53.54 1wvk s LYS 85 Cb 0.20 -1.37 0.00 0.00 -1.05 0.00 0.00 37.83 35.62 1wvk s LYS 85 CO 0.30 -0.84 0.00 1.17 1.55 0.00 0.00 175.35 177.53