#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 -0.32 -3.85 1.61 -0.00 -1.26 -5.04 115.22 106.37 1wvk n HIS 2 Ca 0.00 0.18 -0.30 0.00 -0.00 0.00 0.00 57.72 57.60 1wvk n HIS 2 Cb 0.00 -1.96 -0.15 0.00 -0.00 0.00 0.00 29.99 27.89 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 -0.37 2.60 -0.29 4.41 5.65 -1.26 -5.03 115.29 121.00 1wvk s HIS 3 Ca 0.00 -2.37 0.00 0.00 0.25 0.00 0.00 55.06 52.94 1wvk s HIS 3 Cb 0.00 -2.26 0.19 0.00 -1.18 0.00 0.00 32.58 29.34 1wvk s HIS 3 CO 0.00 -0.89 0.71 -1.58 -0.65 0.00 0.00 174.74 172.33 1wvk s HIS 4 N 1.10 -1.48 0.69 3.88 5.65 -1.26 -5.17 115.29 118.71 1wvk s HIS 4 Ca 0.11 1.04 -0.04 0.00 0.25 0.00 0.00 55.06 56.42 1wvk s HIS 4 Cb -0.19 0.32 0.08 0.00 -1.18 0.00 0.00 32.58 31.61 1wvk s HIS 4 CO -0.15 -0.85 0.98 -1.01 -0.65 0.00 0.00 174.74 173.07 1wvk s HIS 5 N 2.87 2.49 0.08 3.88 0.09 -1.26 -4.94 115.29 118.49 1wvk s HIS 5 Ca 0.15 0.16 0.00 0.00 -0.00 0.00 0.00 55.06 55.36 1wvk s HIS 5 Cb -0.10 -3.12 0.00 0.00 -0.00 0.00 0.00 32.58 29.36 1wvk s HIS 5 CO -0.23 -1.45 0.00 0.72 -0.00 0.00 0.00 174.74 173.77 1wvk n HIS 6 N -2.83 -2.76 -1.26 1.40 -0.00 -1.26 -5.05 115.22 103.46 1wvk n HIS 6 Ca 0.10 1.66 -0.00 0.00 -0.00 0.00 0.00 57.72 59.48 1wvk n HIS 6 Cb 0.60 -2.98 -0.00 0.00 -0.00 0.00 0.00 29.99 27.61 1wvk n HIS 6 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1wvk n HIS 7 N 1.05 0.00 -3.80 4.41 -0.00 -1.26 -5.14 115.22 110.48 1wvk n HIS 7 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.72 57.66 1wvk n HIS 7 Cb 0.00 0.19 -0.00 0.00 -0.00 0.00 0.00 29.99 30.18 1wvk n HIS 7 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 1wvk s LEU 8 N 0.00 -0.13 -0.14 2.39 0.05 -1.26 -4.55 118.68 115.04 1wvk s LEU 8 Ca 0.00 -0.57 -0.08 0.00 0.05 0.00 0.00 54.13 53.53 1wvk s LEU 8 Cb 0.00 2.29 0.03 0.00 -2.05 0.00 0.00 46.19 46.46 1wvk s LEU 8 CO 0.00 -1.06 0.16 1.21 -0.55 0.00 0.00 176.35 176.11 1wvk n GLU 9 N -0.52 -3.16 0.00 1.48 2.13 -1.26 -4.97 120.64 114.33 1wvk n GLU 9 Ca -0.05 2.54 0.00 0.00 0.66 0.00 0.00 57.16 60.31 1wvk n GLU 9 Cb 0.60 -3.87 0.00 0.00 0.27 0.00 0.00 31.44 28.44 1wvk n GLU 9 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wvk n GLY 10 N 1.13 -0.50 0.39 8.31 0.00 -1.26 -4.80 105.19 108.46 1wvk n GLY 10 Ca -0.28 0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.04 1wvk n GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wvk h GLY 11 N 0.00 0.32 0.00 -0.02 0.00 -0.72 -3.43 103.07 99.22 1wvk h GLY 11 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1wvk h GLY 11 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1wvk n GLY 12 N -1.59 -1.35 0.64 4.60 0.00 -1.26 -5.07 105.19 101.15 1wvk n GLY 12 Ca 0.13 0.34 0.08 0.00 0.00 0.00 0.00 46.02 46.56 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 -3.04 -3.62 -3.46 1.61 5.15 -1.26 -4.91 115.26 105.73 1wvk n ASN 13 Ca 0.00 0.58 -0.11 0.00 -0.60 0.00 0.00 54.58 54.45 1wvk n ASN 13 Cb 0.00 -2.16 -0.09 0.00 -0.53 0.00 0.00 39.78 37.00 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 -3.20 -0.94 -2.00 5.20 0.00 -1.26 -5.00 121.76 114.56 1wvk s ALA 14 Ca 0.00 0.94 0.09 0.00 0.00 0.00 0.00 51.96 52.99 1wvk s ALA 14 Cb 0.00 -1.49 0.52 0.00 0.00 0.00 0.00 23.12 22.16 1wvk s ALA 14 CO 0.00 -1.09 1.33 1.04 0.00 0.00 0.00 175.76 177.04 1wvk n GLN 15 N 5.36 0.99 0.00 0.00 6.02 -1.26 -2.03 117.38 126.46 1wvk n GLN 15 Ca -0.05 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.08 1wvk n GLN 15 Cb 0.50 -1.14 0.54 0.00 1.02 0.00 0.00 30.24 31.16 1wvk n GLN 15 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1wvk n LYS 16 N -0.64 0.68 0.00 -1.09 4.01 -1.26 -4.93 118.16 114.93 1wvk n LYS 16 Ca 0.07 -0.28 0.00 0.00 -0.51 0.00 0.00 58.31 57.58 1wvk n LYS 16 Cb 0.03 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.06 1wvk n LYS 16 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1wvk n SER 17 N -0.91 0.00 0.16 4.39 7.64 -0.86 -4.65 113.62 119.39 1wvk n SER 17 Ca 0.13 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.06 1wvk n SER 17 Cb 0.30 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 63.97 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 0.00 1.66 -0.38 -0.43 0.00 -1.92 -2.24 119.26 115.96 1wvk h ALA 18 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wvk h ALA 18 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wvk h ALA 18 CO 0.00 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 178.17 1wvk n MET 19 N -4.35 3.38 0.00 0.00 2.81 -1.26 -4.57 117.12 113.13 1wvk n MET 19 Ca -0.01 -2.78 0.00 0.00 -1.81 0.00 0.00 57.70 53.09 1wvk n MET 19 Cb 0.21 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 1wvk n MET 19 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wvk n ALA 20 N 0.07 2.46 -0.86 3.04 0.00 -0.84 -1.62 120.51 122.75 1wvk n ALA 20 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1wvk n ALA 20 Cb 0.87 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1wvk n ALA 20 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wvk n ARG 21 N -0.08 0.20 -0.07 0.00 1.85 -1.26 -4.66 116.66 112.64 1wvk n ARG 21 Ca 0.00 -0.42 -0.23 0.00 -1.00 0.00 0.00 57.85 56.20 1wvk n ARG 21 Cb 0.20 -0.57 -0.12 0.00 -1.05 0.00 0.00 32.46 30.92 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wvk n ALA 22 N -0.04 0.96 -3.65 2.89 0.00 -0.64 -4.86 120.51 115.16 1wvk n ALA 22 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.46 1wvk n ALA 22 Cb 0.37 -0.45 -0.17 0.00 0.00 0.00 0.00 19.45 19.21 1wvk n ALA 22 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1wvk s LYS 23 N -2.47 2.37 0.00 0.00 1.02 -1.24 -4.93 119.74 114.49 1wvk s LYS 23 Ca -0.29 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1wvk s LYS 23 Cb 0.08 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1wvk s LYS 23 CO 0.64 -0.05 0.00 0.27 -0.92 0.00 0.00 175.35 175.29 1wvk n ASN 24 N 4.17 0.00 -4.72 2.83 2.04 -1.26 -4.28 115.26 114.05 1wvk n ASN 24 Ca -0.19 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.61 1wvk n ASN 24 Cb 0.51 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.87 1wvk n ASN 24 CO 0.00 0.00 0.00 -1.48 -0.44 0.00 0.00 177.26 175.34 1wvk s LEU 25 N -0.95 3.27 0.00 -4.53 2.34 -1.26 -4.51 118.68 113.03 1wvk s LEU 25 Ca 0.00 2.37 0.00 0.00 0.06 0.00 0.00 54.13 56.56 1wvk s LEU 25 Cb 0.00 -4.59 0.00 0.00 -0.56 0.00 0.00 46.19 41.04 1wvk s LEU 25 CO 0.00 -2.37 0.03 -0.62 -1.06 0.00 0.00 176.35 172.33 1wvk n GLU 26 N -2.87 0.00 -3.11 1.48 1.02 -1.26 -0.33 120.64 115.57 1wvk n GLU 26 Ca 0.14 0.38 -0.04 0.00 -0.02 0.00 0.00 57.16 57.62 1wvk n GLU 26 Cb 0.50 -0.90 0.02 0.00 -0.02 0.00 0.00 31.44 31.04 1wvk n GLU 26 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1wvk n LYS 27 N -1.64 0.60 -4.30 3.49 2.85 -1.26 -3.54 118.16 114.36 1wvk n LYS 27 Ca 0.00 -1.27 -0.20 0.00 -1.05 0.00 0.00 58.31 55.79 1wvk n LYS 27 Cb 0.00 1.66 -0.08 0.00 -0.65 0.00 0.00 35.03 35.95 1wvk n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wvk s ALA 28 N -1.76 1.94 -0.56 0.58 0.00 -1.26 -5.11 121.76 115.60 1wvk s ALA 28 Ca 0.14 -1.95 -0.25 0.00 0.00 0.00 0.00 51.96 49.90 1wvk s ALA 28 Cb -0.03 1.39 0.04 0.00 0.00 0.00 0.00 23.12 24.52 1wvk s ALA 28 CO 0.06 -0.62 1.02 0.15 0.00 0.00 0.00 175.76 176.37 1wvk s LYS 29 N -3.53 3.40 0.28 0.00 -0.14 -1.26 -4.97 119.74 113.51 1wvk s LYS 29 Ca 0.39 -0.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.92 1wvk s LYS 29 Cb 0.03 -4.04 -0.00 0.00 -1.68 0.00 0.00 37.83 32.14 1wvk s LYS 29 CO 0.25 -1.54 0.35 0.00 -0.76 0.00 0.00 175.35 173.65 1wvk n ALA 30 N 7.76 -0.06 -0.48 5.17 0.00 -1.26 -5.12 120.51 126.51 1wvk n ALA 30 Ca 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1wvk n ALA 30 Cb 0.48 1.10 0.00 0.00 0.00 0.00 0.00 19.45 21.03 1wvk n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvk n ALA 31 N -1.16 0.54 0.00 0.00 0.00 -1.26 -5.13 120.51 113.50 1wvk n ALA 31 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1wvk n ALA 31 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 2.36 0.08 3.32 0.00 0.00 -1.26 -4.98 105.19 104.70 1wvk n GLY 32 Ca 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.37 1wvk n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wvk s LYS 33 N -0.02 0.39 0.00 1.61 -2.85 -1.26 -5.12 119.74 112.48 1wvk s LYS 33 Ca 0.00 1.09 0.00 0.00 -1.00 0.00 0.00 55.97 56.06 1wvk s LYS 33 Cb 0.00 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1wvk s LYS 33 CO 0.00 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 175.57 1wvk n GLY 34 N 5.40 2.12 0.20 0.59 0.00 -1.26 -4.90 105.19 107.33 1wvk n GLY 34 Ca -0.09 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.02 2.16 -3.92 1.61 2.88 -1.26 -4.88 113.62 110.19 1wvk n SER 35 Ca 0.00 -1.88 -0.13 0.00 -1.33 0.00 0.00 58.87 55.53 1wvk n SER 35 Cb 0.00 -0.06 -0.14 0.00 -0.75 0.00 0.00 64.21 63.26 1wvk n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wvk s GLN 36 N -0.90 0.19 -0.40 -1.46 -2.07 -1.26 -4.83 119.66 108.93 1wvk s GLN 36 Ca 0.07 -0.16 0.00 0.00 -1.82 0.00 0.00 55.36 53.45 1wvk s GLN 36 Cb 0.04 -0.13 0.00 0.00 -1.09 0.00 0.00 33.01 31.83 1wvk s GLN 36 CO 0.05 0.03 0.00 1.28 -1.32 0.00 0.00 175.29 175.33 1wvk n LEU 37 N 2.80 0.37 -4.78 2.60 4.77 -1.26 -4.96 117.00 116.54 1wvk n LEU 37 Ca -0.14 0.09 -0.39 0.00 -0.03 0.00 0.00 56.01 55.54 1wvk n LEU 37 Cb 0.59 -2.21 -0.06 0.00 -2.33 0.00 0.00 43.42 39.41 1wvk n LEU 37 CO 0.25 -0.84 0.42 -0.70 -1.33 0.00 0.00 177.39 175.19 1wvk s GLU 38 N -2.04 4.46 0.16 3.23 2.56 -1.26 -4.78 118.70 121.03 1wvk s GLU 38 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 54.97 56.00 1wvk s GLU 38 Cb 0.00 -3.27 0.00 0.00 2.00 0.00 0.00 34.13 32.86 1wvk s GLU 38 CO 0.00 0.54 0.00 0.00 -0.56 0.00 0.00 175.26 175.24 1wvk n ALA 39 N 1.85 0.00 -3.62 6.30 0.00 -1.26 -5.12 120.51 118.66 1wvk n ALA 39 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1wvk n ALA 39 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 1wvk n ALA 39 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wvk s ASN 40 N -2.00 -0.47 -0.17 0.00 2.47 -1.26 -5.08 114.94 108.43 1wvk s ASN 40 Ca 0.00 0.82 -0.18 0.00 0.42 0.00 0.00 52.86 53.93 1wvk s ASN 40 Cb 0.00 0.81 -0.14 0.00 -1.45 0.00 0.00 41.25 40.46 1wvk s ASN 40 CO 0.00 -0.21 0.18 0.11 -3.72 0.00 0.00 177.10 173.46 1wvk h LYS 41 N 3.91 0.00 -1.74 0.43 1.79 -2.00 -3.52 116.57 115.44 1wvk h LYS 41 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1wvk h LYS 41 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1wvk h LYS 41 CO 0.15 0.66 -0.34 1.17 -1.08 0.00 0.00 179.45 180.02 1wvk n LYS 42 N -4.54 -1.89 -1.11 3.15 4.81 -1.26 -4.60 118.16 112.72 1wvk n LYS 42 Ca -0.20 1.49 -0.04 0.00 -0.87 0.00 0.00 58.31 58.69 1wvk n LYS 42 Cb 0.49 -1.47 -0.02 0.00 0.02 0.00 0.00 35.03 34.05 1wvk n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wvk n ALA 43 N 0.19 -0.06 -1.01 3.14 0.00 -1.26 -1.98 120.51 119.53 1wvk n ALA 43 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 1wvk n ALA 43 Cb 0.00 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 0.02 -0.75 0.00 0.00 2.81 -1.26 -4.84 117.12 113.10 1wvk n MET 44 Ca -0.04 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 1wvk n MET 44 Cb 0.49 -3.80 0.00 0.00 -0.71 0.00 0.00 33.22 29.20 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 -0.33 0.00 -4.22 7.83 3.41 -0.84 -4.41 113.62 115.07 1wvk n SER 45 Ca -0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1wvk n SER 45 Cb 0.19 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.76 -0.07 -1.33 1.01 -0.51 -4.88 121.20 117.18 1wvk s ILE 46 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 1wvk s ILE 46 Cb 0.00 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1wvk s ILE 46 CO 0.00 0.50 0.09 -1.58 0.00 0.00 0.00 174.94 173.95 1wvk s GLN 47 N -0.20 3.23 0.33 2.79 0.74 -1.25 -0.21 119.66 125.09 1wvk s GLN 47 Ca -0.00 -0.31 -0.26 0.00 0.05 0.00 0.00 55.36 54.84 1wvk s GLN 47 Cb -0.12 -3.00 -0.10 0.00 1.10 0.00 0.00 33.01 30.90 1wvk s GLN 47 CO 0.02 0.72 0.94 0.00 -0.55 0.00 0.00 175.29 176.42 1wvk h LYS 49 N 3.10 0.71 -1.07 0.00 3.11 -1.36 -3.25 116.57 117.81 1wvk h LYS 49 Ca -0.47 -0.04 0.30 0.00 -2.81 0.00 0.00 60.65 57.63 1wvk h LYS 49 Cb 1.19 -0.16 -0.12 0.00 -1.00 0.00 0.00 32.23 32.14 1wvk h LYS 49 CO 0.65 0.47 0.66 -0.24 -2.81 0.00 0.00 179.45 178.18 1wvk h VAL 50 N 0.73 0.42 0.00 2.00 3.04 -1.87 -3.42 116.25 117.14 1wvk h VAL 50 Ca 0.20 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1wvk h VAL 50 Cb -0.08 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.21 1wvk h VAL 50 CO -0.05 0.07 0.00 0.00 -1.01 0.00 0.00 177.57 176.58 1wvk n MET 52 N -2.77 0.00 -1.35 0.00 1.56 -1.23 -4.98 117.12 108.35 1wvk n MET 52 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.41 1wvk n MET 52 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 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 1.13 -4.01 2.12 1.13 -1.24 -4.83 117.38 111.69 1wvk n GLN 53 Ca 0.00 -0.26 -0.08 0.00 -1.94 0.00 0.00 57.00 54.72 1wvk n GLN 53 Cb 0.00 -0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.25 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 0.38 0.18 -0.01 5.09 -1.32 -1.26 -1.10 115.64 117.61 1wvk s THR 54 Ca 0.04 -1.47 -0.00 0.00 -1.21 0.00 0.00 61.69 59.05 1wvk s THR 54 Cb -0.00 -1.24 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 1wvk s THR 54 CO 0.03 -0.81 0.01 -0.36 -2.21 0.00 0.00 174.62 171.28 1wvk s PHE 55 N -3.40 -0.02 0.37 9.09 0.08 0.71 -4.83 117.98 119.98 1wvk s PHE 55 Ca 0.02 0.04 -0.28 0.00 0.12 0.00 0.00 56.93 56.83 1wvk s PHE 55 Cb 0.04 0.00 -0.10 0.00 -0.57 0.00 0.00 43.02 42.39 1wvk s PHE 55 CO -0.08 -0.01 1.39 -1.50 -0.10 0.00 0.00 175.22 174.92 1wvk s ILE 56 N 0.01 2.36 -1.13 0.64 1.10 -1.26 -1.42 121.20 121.50 1wvk s ILE 56 Ca -0.00 0.36 -0.19 0.00 -0.51 0.00 0.00 60.65 60.31 1wvk s ILE 56 Cb -0.00 -3.22 -0.05 0.00 0.15 0.00 0.00 42.46 39.33 1wvk s ILE 56 CO 0.00 0.08 2.02 0.00 -2.11 0.00 0.00 174.94 174.93 1wvk n THR 58 N 5.89 0.00 -4.00 0.00 -2.24 -1.26 -4.83 114.28 107.84 1wvk n THR 58 Ca 0.50 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 62.16 1wvk n THR 58 Cb 0.41 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.27 1wvk n THR 58 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wvk s THR 59 N -2.45 0.17 -1.08 4.28 2.01 -1.26 -5.05 115.64 112.26 1wvk s THR 59 Ca 0.31 -1.54 0.06 0.00 0.31 0.00 0.00 61.69 60.83 1wvk s THR 59 Cb 0.20 -1.53 0.28 0.00 0.01 0.00 0.00 72.50 71.47 1wvk s THR 59 CO 0.46 -0.75 1.03 -1.20 -0.69 0.00 0.00 174.62 173.46 1wvk n SER 60 N -0.00 2.38 0.00 3.53 7.64 -1.26 -4.93 113.62 120.98 1wvk n SER 60 Ca -0.13 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1wvk n SER 60 Cb 0.62 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1wvk n SER 60 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1wvk n GLU 61 N 0.25 0.00 0.26 1.43 4.07 -1.26 -4.14 120.64 121.25 1wvk n GLU 61 Ca 0.10 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.31 1wvk n GLU 61 Cb 0.50 0.00 0.71 0.00 -0.06 0.00 0.00 31.44 32.59 1wvk n GLU 61 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 1wvk h VAL 62 N 0.00 0.67 -0.73 6.31 3.04 -1.97 0.94 116.25 124.51 1wvk h VAL 62 Ca 0.00 -0.47 -0.03 0.00 -1.01 0.00 0.00 66.70 65.19 1wvk h VAL 62 Cb 0.00 1.29 -0.03 0.00 -2.01 0.00 0.00 31.29 30.54 1wvk h VAL 62 CO 0.00 0.11 0.36 0.50 -1.01 0.00 0.00 177.57 177.53 1wvk h LYS 63 N 0.00 1.04 0.00 4.17 3.11 -1.97 -0.41 116.57 122.52 1wvk h LYS 63 Ca -0.00 -0.15 -0.17 0.00 -2.81 0.00 0.00 60.65 57.52 1wvk h LYS 63 Cb 0.28 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.30 1wvk h LYS 63 CO 0.01 0.81 -0.82 0.00 -2.81 0.00 0.00 179.45 176.64 1wvk h ARG 65 N 0.00 0.33 -0.62 0.00 3.08 0.49 0.43 114.38 118.08 1wvk h ARG 65 Ca -0.01 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1wvk h ARG 65 Cb 1.51 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.46 1wvk h ARG 65 CO 0.11 0.22 0.09 1.05 -1.07 0.00 0.00 179.97 180.36 1wvk h GLU 66 N 0.34 1.04 0.00 0.04 4.11 -1.19 -0.10 114.58 118.83 1wvk h GLU 66 Ca 0.16 -0.29 -0.12 0.00 0.07 0.00 0.00 59.36 59.18 1wvk h GLU 66 Cb 0.09 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1wvk h GLU 66 CO -0.13 0.98 -0.55 1.25 0.07 0.00 0.00 179.01 180.63 1wvk h HIS 67 N 0.95 0.00 0.00 2.06 2.76 -1.44 -2.28 115.15 117.20 1wvk h HIS 67 Ca 0.19 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1wvk h HIS 67 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1wvk h HIS 67 CO 0.03 0.55 -0.02 0.00 -1.30 0.00 0.00 177.93 177.20 1wvk h ALA 68 N 1.45 0.00 0.00 5.26 0.00 0.10 -3.16 119.26 122.91 1wvk h ALA 68 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wvk h ALA 68 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wvk h ALA 68 CO 0.07 -0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.66 1wvk n GLU 69 N -4.65 0.06 0.11 0.00 -0.58 -0.07 -0.05 120.64 115.45 1wvk n GLU 69 Ca -0.10 0.26 -0.04 0.00 -0.42 0.00 0.00 57.16 56.86 1wvk n GLU 69 Cb 0.43 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.92 1wvk n GLU 69 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wvk h ALA 70 N 2.45 0.84 -2.72 0.62 0.00 -1.37 -3.44 119.26 115.63 1wvk h ALA 70 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1wvk h ALA 70 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wvk h ALA 70 CO 0.00 0.80 0.00 1.63 0.00 0.00 0.00 179.25 181.68 1wvk n LYS 71 N -3.78 0.00 -4.04 0.00 4.76 0.60 -5.06 118.16 110.64 1wvk n LYS 71 Ca -0.02 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.14 1wvk n LYS 71 Cb 0.66 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.82 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 -1.14 -1.62 0.02 2.13 -0.00 0.93 -4.88 115.22 110.65 1wvk n HIS 72 Ca 0.00 0.74 -0.10 0.00 0.46 0.00 0.00 57.72 58.82 1wvk n HIS 72 Cb 0.00 -3.51 -0.04 0.00 -0.12 0.00 0.00 29.99 26.32 1wvk n HIS 72 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1wvk h PRO 73 N -1.78 -0.12 -0.82 1.57 0.11 -1.97 -3.41 132.00 125.58 1wvk h PRO 73 Ca -0.63 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.60 1wvk h PRO 73 Cb 1.38 0.03 -0.21 0.00 0.11 0.00 0.00 31.00 32.31 1wvk h PRO 73 CO 0.66 -0.08 -0.20 -1.59 -0.21 0.00 0.00 178.00 176.58 1wvk s LYS 74 N -6.17 0.46 -0.24 1.05 -2.85 -1.26 -5.11 119.74 105.62 1wvk s LYS 74 Ca -0.14 0.71 -0.28 0.00 -1.00 0.00 0.00 55.97 55.25 1wvk s LYS 74 Cb 0.09 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 1wvk s LYS 74 CO 0.67 -0.62 1.97 0.00 0.10 0.00 0.00 175.35 177.47 1wvk s ALA 75 N 2.88 2.91 0.00 0.59 0.00 -1.26 -4.86 121.76 122.01 1wvk s ALA 75 Ca 0.15 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1wvk s ALA 75 Cb -0.12 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.99 1wvk s ALA 75 CO -0.20 -2.54 0.00 -3.47 0.00 0.00 0.00 175.76 169.55 1wvk n ASP 76 N 10.45 0.00 -0.09 0.00 -0.08 -1.26 -3.95 116.55 121.63 1wvk n ASP 76 Ca 0.25 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.68 1wvk n ASP 76 Cb 0.45 0.00 0.80 0.00 2.34 0.00 0.00 41.12 44.72 1wvk n ASP 76 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wvk n VAL 77 N -0.32 0.00 -0.19 5.18 0.24 -1.26 -1.79 118.33 120.19 1wvk n VAL 77 Ca 0.00 -0.04 0.06 0.00 -2.04 0.00 0.00 64.34 62.32 1wvk n VAL 77 Cb 0.00 -0.29 0.17 0.00 -1.47 0.00 0.00 33.84 32.24 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 -0.87 1.01 0.33 3.34 0.24 -1.26 -4.61 118.33 116.50 1wvk n VAL 78 Ca 0.20 -1.00 0.21 0.00 -2.04 0.00 0.00 64.34 61.70 1wvk n VAL 78 Cb 0.19 0.50 1.12 0.00 -1.47 0.00 0.00 33.84 34.18 1wvk n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wvk h ALA 79 N 2.18 1.13 0.00 2.33 0.00 -1.47 0.22 119.26 123.65 1wvk h ALA 79 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wvk h ALA 79 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1wvk h ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1wvk n PHE 81 N -2.44 -2.48 0.43 0.00 1.16 0.73 -0.95 117.46 113.90 1wvk n PHE 81 Ca 0.04 -2.28 0.04 0.00 -1.87 0.00 0.00 57.45 53.38 1wvk n PHE 81 Cb 0.38 0.98 0.21 0.00 -1.61 0.00 0.00 39.48 39.43 1wvk n PHE 81 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 1wvk n PRO 82 N 1.77 0.20 0.00 3.97 -0.02 -0.87 -1.52 135.00 138.53 1wvk n PRO 82 Ca 0.14 0.06 0.14 0.00 -2.02 0.00 0.00 63.50 61.82 1wvk n PRO 82 Cb 0.59 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 33.00 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 -1.08 0.00 -0.77 6.00 8.25 -1.26 -3.94 115.22 122.42 1wvk n HIS 83 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 1wvk n HIS 83 Cb 0.03 -0.01 0.15 0.00 1.12 0.00 0.00 29.99 31.29 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 0.30 2.82 -0.08 2.41 4.77 -0.58 -4.16 117.00 122.49 1wvk n LEU 84 Ca 0.17 -2.77 -0.07 0.00 -0.03 0.00 0.00 56.01 53.32 1wvk n LEU 84 Cb 0.40 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1wvk n LEU 84 CO 0.17 0.67 0.78 0.50 -1.33 0.00 0.00 177.39 178.18 1wvk h LYS 85 N 0.77 -0.05 0.00 3.23 1.63 -1.74 -3.49 116.57 116.91 1wvk h LYS 85 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wvk h LYS 85 Cb 1.02 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 1wvk h LYS 85 CO 0.07 -0.03 0.00 1.17 -3.45 0.00 0.00 179.45 177.21