#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvk s HIS 2 N 0.00 -0.80 -0.07 1.61 0.00 -1.26 -5.08 115.29 109.70 1wvk s HIS 2 Ca 0.00 1.84 0.10 0.00 -3.00 0.00 0.00 55.06 54.00 1wvk s HIS 2 Cb 0.00 0.34 0.15 0.00 -4.00 0.00 0.00 32.58 29.06 1wvk s HIS 2 CO 0.00 -0.39 1.05 0.72 -1.00 0.00 0.00 174.74 175.12 1wvk n HIS 3 N 3.15 0.00 0.00 0.38 -0.00 -1.26 -4.95 115.22 112.54 1wvk n HIS 3 Ca -0.16 -0.53 0.00 0.00 -0.00 0.00 0.00 57.72 57.03 1wvk n HIS 3 Cb 0.56 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 1wvk n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1wvk n HIS 4 N -0.75 0.00 -3.99 4.41 -0.00 -1.26 -5.17 115.22 108.45 1wvk n HIS 4 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 1wvk n HIS 4 Cb 0.63 0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.89 1wvk n HIS 4 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1wvk n HIS 5 N -2.05 0.00 -1.27 4.41 1.44 -1.26 -5.16 115.22 111.33 1wvk n HIS 5 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1wvk n HIS 5 Cb 0.00 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.24 1wvk n HIS 5 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1wvk s HIS 6 N -1.97 2.41 0.31 -1.40 3.76 -1.26 -5.01 115.29 112.14 1wvk s HIS 6 Ca 0.00 1.23 0.07 0.00 -0.15 0.00 0.00 55.06 56.22 1wvk s HIS 6 Cb 0.00 -3.16 -0.03 0.00 1.11 0.00 0.00 32.58 30.51 1wvk s HIS 6 CO 0.00 -2.28 0.29 -3.38 -0.85 0.00 0.00 174.74 168.52 1wvk s HIS 7 N -2.98 3.00 -0.80 1.40 -3.43 -1.26 -4.71 115.29 106.52 1wvk s HIS 7 Ca 0.63 -0.23 -0.02 0.00 -0.80 0.00 0.00 55.06 54.64 1wvk s HIS 7 Cb -0.17 -1.70 -0.01 0.00 -1.43 0.00 0.00 32.58 29.27 1wvk s HIS 7 CO 0.56 0.26 0.71 -0.11 -2.00 0.00 0.00 174.74 174.17 1wvk n LEU 8 N -1.35 -5.83 0.01 5.38 7.94 -1.26 -4.99 117.00 116.90 1wvk n LEU 8 Ca -0.04 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.56 1wvk n LEU 8 Cb 0.59 -3.03 0.00 0.00 0.53 0.00 0.00 43.42 41.51 1wvk n LEU 8 CO 0.43 -0.73 0.00 1.21 -1.11 0.00 0.00 177.39 177.19 1wvk n GLU 9 N -2.14 0.00 0.00 1.96 2.13 -1.26 -5.06 120.64 116.27 1wvk n GLU 9 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1wvk n GLU 9 Cb 0.54 -0.07 0.00 0.00 0.27 0.00 0.00 31.44 32.18 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 3.21 0.16 0.00 8.31 0.00 -1.26 -5.08 105.19 110.53 1wvk n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.70 2.31 0.30 -0.02 0.00 -1.26 -4.35 105.19 105.88 1wvk n GLY 11 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 0.72 -0.10 3.36 -0.02 0.00 -0.60 -4.85 105.19 103.71 1wvk n GLY 12 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1wvk n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvk s ASN 13 N 0.23 -0.37 -0.30 1.61 2.20 -1.26 -4.97 114.94 112.08 1wvk s ASN 13 Ca 0.00 0.10 -0.16 0.00 -0.94 0.00 0.00 52.86 51.86 1wvk s ASN 13 Cb 0.00 0.46 0.19 0.00 -2.00 0.00 0.00 41.25 39.90 1wvk s ASN 13 CO 0.00 -0.69 1.15 0.00 -2.94 0.00 0.00 177.10 174.62 1wvk s ALA 14 N -2.43 -2.53 -0.31 3.54 0.00 -1.26 -4.90 121.76 113.87 1wvk s ALA 14 Ca -0.05 2.06 -0.26 0.00 0.00 0.00 0.00 51.96 53.71 1wvk s ALA 14 Cb -0.01 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.26 1wvk s ALA 14 CO -0.02 -0.33 0.44 1.04 0.00 0.00 0.00 175.76 176.89 1wvk n GLN 15 N 3.32 -1.46 0.00 0.00 3.00 -1.26 -1.38 117.38 119.60 1wvk n GLN 15 Ca -0.18 1.28 0.00 0.00 -0.01 0.00 0.00 57.00 58.09 1wvk n GLN 15 Cb 0.57 -1.91 0.00 0.00 0.00 0.00 0.00 30.24 28.89 1wvk n GLN 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1wvk n LYS 16 N 0.29 0.00 -0.55 -1.09 5.02 -1.26 -4.24 118.16 116.34 1wvk n LYS 16 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1wvk n LYS 16 Cb 0.61 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1wvk n LYS 16 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1wvk n SER 17 N 0.24 -0.61 -0.09 4.39 3.41 -0.48 -4.77 113.62 115.71 1wvk n SER 17 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1wvk n SER 17 Cb 0.00 -2.59 0.20 0.00 -0.26 0.00 0.00 64.21 61.57 1wvk n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wvk h ALA 18 N 0.00 1.21 0.00 7.33 0.00 -1.82 -3.42 119.26 122.56 1wvk h ALA 18 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wvk h ALA 18 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wvk h ALA 18 CO 0.00 0.53 0.00 -0.12 0.00 0.00 0.00 179.25 179.66 1wvk n MET 19 N -4.25 0.00 0.33 0.00 0.00 -1.26 -4.93 117.12 107.01 1wvk n MET 19 Ca 0.03 0.00 0.21 0.00 -0.00 0.00 0.00 57.70 57.93 1wvk n MET 19 Cb 0.26 -0.11 1.10 0.00 0.00 0.00 0.00 33.22 34.47 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 1.08 -0.10 -5.12 0.00 -1.77 -2.30 119.26 111.06 1wvk h ALA 20 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1wvk h ALA 20 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wvk h ALA 20 CO 0.00 -0.08 0.00 0.07 0.00 0.00 0.00 179.25 179.24 1wvk h ARG 21 N 0.00 0.18 -4.87 0.00 0.11 -1.79 -3.47 114.38 104.54 1wvk h ARG 21 Ca 0.00 -0.05 -0.23 0.00 0.10 0.00 0.00 59.98 59.80 1wvk h ARG 21 Cb 0.17 -0.02 -0.05 0.00 1.11 0.00 0.00 29.97 31.18 1wvk h ARG 21 CO 0.00 0.42 -0.32 0.00 0.10 0.00 0.00 179.97 180.17 1wvk n ALA 22 N -2.29 -0.96 -2.16 0.08 0.00 -0.87 -3.06 120.51 111.27 1wvk n ALA 22 Ca -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1wvk n ALA 22 Cb 0.19 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1wvk n ALA 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wvk n LYS 23 N -3.05 -1.80 -3.79 0.00 5.02 -1.26 -5.11 118.16 108.18 1wvk n LYS 23 Ca -0.05 1.68 -0.13 0.00 -2.02 0.00 0.00 58.31 57.80 1wvk n LYS 23 Cb 0.55 -3.39 -0.09 0.00 -0.02 0.00 0.00 35.03 32.07 1wvk n LYS 23 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1wvk s ASN 24 N -0.99 -0.16 -0.28 4.39 3.84 -1.17 -4.66 114.94 115.90 1wvk s ASN 24 Ca 0.02 0.12 -0.05 0.00 0.21 0.00 0.00 52.86 53.16 1wvk s ASN 24 Cb -0.00 0.35 0.15 0.00 -0.55 0.00 0.00 41.25 41.19 1wvk s ASN 24 CO 0.42 -0.36 0.56 -0.22 -2.79 0.00 0.00 177.10 174.71 1wvk s LEU 25 N -1.04 -1.10 0.00 3.21 1.98 -1.26 -1.55 118.68 118.92 1wvk s LEU 25 Ca -0.11 1.05 0.00 0.00 -2.89 0.00 0.00 54.13 52.17 1wvk s LEU 25 Cb -0.05 1.95 0.00 0.00 0.66 0.00 0.00 46.19 48.75 1wvk s LEU 25 CO 0.03 -0.25 0.00 -0.62 -1.89 0.00 0.00 176.35 173.62 1wvk n GLU 26 N 5.42 0.00 0.00 1.98 1.02 -1.26 -4.82 120.64 122.98 1wvk n GLU 26 Ca -0.06 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.13 1wvk n GLU 26 Cb 0.50 -0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.86 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 -1.32 3.43 0.00 3.49 2.85 -1.26 -5.11 118.16 120.25 1wvk n LYS 27 Ca 0.00 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1wvk n LYS 27 Cb 0.00 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1wvk n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wvk n ALA 28 N -1.11 0.00 -0.01 0.58 0.00 -1.26 -4.47 120.51 114.23 1wvk n ALA 28 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wvk n ALA 28 Cb 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.50 1wvk n ALA 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wvk n LYS 29 N -1.82 0.65 -3.92 0.00 4.81 -1.26 -4.85 118.16 111.77 1wvk n LYS 29 Ca 0.00 0.07 -0.29 0.00 -0.87 0.00 0.00 58.31 57.22 1wvk n LYS 29 Cb 0.00 -1.67 -0.16 0.00 0.02 0.00 0.00 35.03 33.22 1wvk n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wvk s ALA 30 N -2.93 1.71 -0.26 3.14 0.00 -1.26 -4.99 121.76 117.17 1wvk s ALA 30 Ca -0.06 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.69 1wvk s ALA 30 Cb 0.09 -1.25 -0.15 0.00 0.00 0.00 0.00 23.12 21.81 1wvk s ALA 30 CO 0.84 -0.93 -0.18 0.00 0.00 0.00 0.00 175.76 175.49 1wvk n ALA 31 N 4.78 1.09 0.00 0.00 0.00 -1.26 -5.12 120.51 120.00 1wvk n ALA 31 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1wvk n ALA 31 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 1.36 -0.54 0.52 0.00 0.00 -1.26 -4.91 105.19 100.37 1wvk n GLY 32 Ca -0.48 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 1.55 0.00 1.61 4.01 -1.26 -4.97 118.16 119.09 1wvk n LYS 33 Ca 0.00 -1.05 0.00 0.00 -0.51 0.00 0.00 58.31 56.75 1wvk n LYS 33 Cb 0.00 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 1wvk n LYS 33 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wvk n GLY 34 N 1.28 -0.90 0.09 0.72 0.00 -1.26 -4.98 105.19 100.15 1wvk n GLY 34 Ca 0.15 -1.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 1wvk n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wvk h SER 35 N 0.00 -0.18 0.00 1.61 0.02 -1.95 -3.47 113.55 109.57 1wvk h SER 35 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1wvk h SER 35 Cb 0.00 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1wvk h SER 35 CO 0.00 -0.07 0.00 1.67 -1.14 0.00 0.00 176.83 177.29 1wvk n GLN 36 N -2.92 0.00 -3.64 3.45 -0.06 -1.26 -5.01 117.38 107.93 1wvk n GLN 36 Ca -0.03 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.58 1wvk n GLN 36 Cb 0.09 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.16 1wvk n GLN 36 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1wvk s LEU 37 N 0.00 4.92 0.20 1.69 1.43 -1.26 -4.45 118.68 121.21 1wvk s LEU 37 Ca 0.00 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 1wvk s LEU 37 Cb 0.00 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1wvk s LEU 37 CO 0.00 -0.47 0.00 1.21 0.23 0.00 0.00 176.35 177.32 1wvk n GLU 38 N 4.89 0.00 -4.46 1.70 2.13 -1.26 -5.15 120.64 118.48 1wvk n GLU 38 Ca -0.10 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.47 1wvk n GLU 38 Cb 0.44 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.07 1wvk n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wvk s ALA 39 N -1.86 2.74 0.28 4.31 0.00 -1.26 -5.12 121.76 120.86 1wvk s ALA 39 Ca 0.00 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1wvk s ALA 39 Cb 0.00 0.96 -0.10 0.00 0.00 0.00 0.00 23.12 23.98 1wvk s ALA 39 CO 0.00 -0.43 1.27 -0.80 0.00 0.00 0.00 175.76 175.80 1wvk s ASN 40 N -3.57 6.91 0.17 0.00 0.01 -1.26 -4.74 114.94 112.46 1wvk s ASN 40 Ca 0.27 2.52 0.00 0.00 -0.71 0.00 0.00 52.86 54.94 1wvk s ASN 40 Cb 0.01 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1wvk s ASN 40 CO 0.19 -0.46 0.00 0.29 -1.51 0.00 0.00 177.10 175.61 1wvk n LYS 41 N 1.44 0.00 0.00 -0.60 5.02 -1.26 -4.95 118.16 117.81 1wvk n LYS 41 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1wvk n LYS 41 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 1wvk n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wvk n LYS 42 N 0.00 0.00 0.00 1.97 4.76 -1.26 -4.73 118.16 118.90 1wvk n LYS 42 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wvk n LYS 42 Cb 0.00 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 1wvk n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wvk n ALA 43 N 0.00 -0.39 0.00 7.82 0.00 -1.26 -4.65 120.51 122.03 1wvk n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wvk n ALA 43 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1wvk n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvk n MET 44 N -1.70 0.00 0.00 0.00 0.00 -1.26 -5.02 117.12 109.14 1wvk n MET 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1wvk n MET 44 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1wvk n MET 44 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1wvk n SER 45 N 0.00 0.00 -3.93 3.17 7.64 -1.26 -4.33 113.62 114.91 1wvk n SER 45 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1wvk n SER 45 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1wvk n SER 45 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wvk s ILE 46 N 0.00 0.07 -0.10 0.44 1.01 -0.93 -4.72 121.20 116.97 1wvk s ILE 46 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 1wvk s ILE 46 Cb 0.00 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.30 1wvk s ILE 46 CO 0.00 -0.24 -0.05 -1.58 0.00 0.00 0.00 174.94 173.08 1wvk s GLN 47 N -0.71 3.09 0.39 2.79 2.00 -1.25 -0.36 119.66 125.61 1wvk s GLN 47 Ca -0.08 -0.51 -0.25 0.00 -2.00 0.00 0.00 55.36 52.52 1wvk s GLN 47 Cb -0.05 -2.73 -0.09 0.00 0.80 0.00 0.00 33.01 30.94 1wvk s GLN 47 CO -0.00 0.54 1.07 0.00 -0.50 0.00 0.00 175.29 176.40 1wvk h LYS 49 N 2.65 0.59 0.00 0.00 3.64 -0.80 -3.11 116.57 119.54 1wvk h LYS 49 Ca -0.48 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 58.77 1wvk h LYS 49 Cb 1.22 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1wvk h LYS 49 CO 0.63 0.59 -0.03 -0.39 -2.27 0.00 0.00 179.45 177.98 1wvk h VAL 50 N 0.56 0.52 0.00 2.00 -1.51 -1.90 -3.44 116.25 112.49 1wvk h VAL 50 Ca 0.12 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1wvk h VAL 50 Cb 0.32 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1wvk h VAL 50 CO 0.01 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 176.37 1wvk n MET 52 N -1.22 0.01 -2.29 0.00 1.56 -1.18 -4.91 117.12 109.09 1wvk n MET 52 Ca 0.00 -0.51 -0.10 0.00 -0.27 0.00 0.00 57.70 56.82 1wvk n MET 52 Cb 0.00 -0.01 0.01 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 0.59 1.03 -5.01 2.12 1.13 -1.25 -4.75 117.38 111.24 1wvk n GLN 53 Ca -0.07 -1.45 -0.30 0.00 -1.94 0.00 0.00 57.00 53.23 1wvk n GLN 53 Cb 0.77 0.07 -0.15 0.00 0.11 0.00 0.00 30.24 31.03 1wvk n GLN 53 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1wvk s THR 54 N -0.97 2.05 0.34 5.09 2.01 -1.26 0.47 115.64 123.37 1wvk s THR 54 Ca 0.18 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 60.94 1wvk s THR 54 Cb -0.01 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 1wvk s THR 54 CO 0.12 0.42 0.09 -0.36 -0.69 0.00 0.00 174.62 174.20 1wvk s PHE 55 N -0.73 1.80 -0.14 4.92 0.08 0.51 -4.85 117.98 119.57 1wvk s PHE 55 Ca 0.11 -1.13 -0.08 0.00 0.12 0.00 0.00 56.93 55.95 1wvk s PHE 55 Cb -0.10 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 1wvk s PHE 55 CO 0.01 -0.19 0.13 -1.50 -0.10 0.00 0.00 175.22 173.58 1wvk s ILE 56 N -3.38 5.45 -1.24 0.64 1.10 -1.26 -2.18 121.20 120.33 1wvk s ILE 56 Ca 0.33 0.19 -0.13 0.00 -0.51 0.00 0.00 60.65 60.53 1wvk s ILE 56 Cb 0.06 -3.40 0.16 0.00 0.15 0.00 0.00 42.46 39.44 1wvk s ILE 56 CO 0.15 0.57 1.57 0.00 -2.11 0.00 0.00 174.94 175.12 1wvk n THR 58 N 4.38 1.18 -4.04 0.00 -1.04 -1.26 -4.75 114.28 108.76 1wvk n THR 58 Ca 0.38 0.30 -0.11 0.00 -2.04 0.00 0.00 64.05 62.57 1wvk n THR 58 Cb 0.41 -1.11 -0.05 0.00 -1.82 0.00 0.00 70.33 67.77 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 -2.94 0.00 -0.96 12.58 2.01 -1.26 -5.03 115.64 120.04 1wvk s THR 59 Ca 0.06 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 60.55 1wvk s THR 59 Cb 0.07 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.14 1wvk s THR 59 CO 0.19 0.00 0.41 -1.20 -0.69 0.00 0.00 174.62 173.34 1wvk n SER 60 N -0.83 0.85 0.00 3.53 7.64 -1.26 -4.83 113.62 118.72 1wvk n SER 60 Ca -0.01 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.30 1wvk n SER 60 Cb 0.62 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.13 0.00 -0.31 1.43 2.13 -1.26 -4.46 120.64 118.30 1wvk n GLU 61 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1wvk n GLU 61 Cb 0.21 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.09 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 0.94 -0.54 6.31 -1.51 -1.97 0.79 116.25 120.27 1wvk h VAL 62 Ca 0.00 -0.29 0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1wvk h VAL 62 Cb 0.00 0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 29.14 1wvk h VAL 62 CO 0.00 0.16 0.36 0.50 -1.23 0.00 0.00 177.57 177.35 1wvk h LYS 63 N 0.85 0.70 -0.09 5.19 3.11 -1.95 -0.02 116.57 124.36 1wvk h LYS 63 Ca 0.41 -0.04 -0.20 0.00 -2.81 0.00 0.00 60.65 58.01 1wvk h LYS 63 Cb 0.34 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.42 1wvk h LYS 63 CO -0.24 0.46 -0.76 0.00 -2.81 0.00 0.00 179.45 176.10 1wvk h ARG 65 N 0.33 0.93 -0.48 0.00 3.08 0.88 -0.27 114.38 118.85 1wvk h ARG 65 Ca -0.04 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1wvk h ARG 65 Cb 1.36 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1wvk h ARG 65 CO 0.14 0.61 0.30 0.93 -1.07 0.00 0.00 179.97 180.88 1wvk h GLU 66 N 0.96 0.58 0.00 0.04 5.08 -1.15 0.27 114.58 120.36 1wvk h GLU 66 Ca 0.28 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1wvk h GLU 66 Cb -0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1wvk h GLU 66 CO -0.09 0.38 -0.36 1.25 -1.00 0.00 0.00 179.01 179.20 1wvk h HIS 67 N 0.59 0.00 0.04 4.33 2.76 -1.43 -2.80 115.15 118.65 1wvk h HIS 67 Ca 0.19 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.18 1wvk h HIS 67 Cb -0.01 0.00 0.02 0.00 1.55 0.00 0.00 27.41 28.97 1wvk h HIS 67 CO -0.06 0.36 -0.71 0.00 -1.30 0.00 0.00 177.93 176.21 1wvk h ALA 68 N 1.64 0.03 0.00 5.26 0.00 0.06 -3.11 119.26 123.14 1wvk h ALA 68 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1wvk h ALA 68 Cb 1.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wvk h ALA 68 CO 0.05 0.39 0.00 1.05 0.00 0.00 0.00 179.25 180.74 1wvk h GLU 69 N -0.12 0.00 0.00 0.00 4.11 -0.51 0.24 114.58 118.30 1wvk h GLU 69 Ca -0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.24 1wvk h GLU 69 Cb 1.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1wvk h GLU 69 CO 0.14 0.00 -0.43 0.00 0.07 0.00 0.00 179.01 178.79 1wvk h ALA 70 N 2.05 1.24 -1.84 1.06 0.00 -1.43 -3.43 119.26 116.91 1wvk h ALA 70 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wvk h ALA 70 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wvk h ALA 70 CO 0.00 0.54 0.00 1.63 0.00 0.00 0.00 179.25 181.42 1wvk n LYS 71 N -3.95 0.00 -4.06 0.00 4.76 -0.45 -5.06 118.16 109.39 1wvk n LYS 71 Ca -0.02 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.98 1wvk n LYS 71 Cb 0.47 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.67 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 -1.58 -1.34 0.10 2.13 1.44 0.72 -4.91 115.22 111.78 1wvk n HIS 72 Ca 0.00 0.09 -0.13 0.00 -2.01 0.00 0.00 57.72 55.67 1wvk n HIS 72 Cb 0.00 -2.63 -0.07 0.00 0.12 0.00 0.00 29.99 27.41 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 -2.31 -0.18 0.00 -1.40 0.11 -1.94 -3.45 132.00 122.82 1wvk h PRO 73 Ca -0.68 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.44 1wvk h PRO 73 Cb 1.35 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1wvk h PRO 73 CO 0.49 -0.12 0.00 0.36 -0.21 0.00 0.00 178.00 178.52 1wvk n LYS 74 N -5.18 0.00 -1.33 1.05 0.00 -1.26 -5.14 118.16 106.29 1wvk n LYS 74 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1wvk n LYS 74 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.14 1wvk n LYS 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wvk n ALA 75 N -0.63 -2.57 -1.09 0.58 0.00 -1.26 -4.84 120.51 110.69 1wvk n ALA 75 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1wvk n ALA 75 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.83 0.00 0.16 0.00 2.03 -1.26 -3.86 116.55 114.46 1wvk n ASP 76 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 1wvk n ASP 76 Cb 0.00 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.00 -0.61 5.18 -1.51 -2.02 -2.69 116.25 114.60 1wvk h VAL 77 Ca 0.00 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1wvk h VAL 77 Cb 0.00 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1wvk h VAL 77 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 177.57 177.67 1wvk n VAL 78 N -2.74 1.16 0.10 7.19 0.24 -1.26 -4.37 118.33 118.65 1wvk n VAL 78 Ca 0.04 -0.92 0.07 0.00 -2.04 0.00 0.00 64.34 61.49 1wvk n VAL 78 Cb 0.50 0.28 0.36 0.00 -1.47 0.00 0.00 33.84 33.50 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 1.19 1.03 1.11 2.33 0.00 -1.02 -0.44 120.51 124.71 1wvk n ALA 79 Ca 0.22 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.91 1wvk n ALA 79 Cb 0.64 -1.19 0.51 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.86 -0.99 -2.00 0.00 5.36 0.42 -0.05 117.98 117.85 1wvk s PHE 81 Ca 0.17 -0.14 0.01 0.00 -0.96 0.00 0.00 56.93 56.02 1wvk s PHE 81 Cb 0.19 0.19 0.08 0.00 -0.34 0.00 0.00 43.02 43.14 1wvk s PHE 81 CO 0.57 -0.74 0.34 -2.30 -1.46 0.00 0.00 175.22 171.63 1wvk n PRO 82 N 3.29 0.11 -0.08 10.12 -0.02 -1.04 -1.77 135.00 145.61 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 0.60 -1.20 0.34 0.00 -0.02 0.00 0.00 33.50 33.22 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 -0.70 0.21 -0.19 6.00 8.25 -1.26 -3.65 115.22 123.88 1wvk n HIS 83 Ca 0.01 -0.11 0.05 0.00 -0.26 0.00 0.00 57.72 57.42 1wvk n HIS 83 Cb 0.00 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.26 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 0.64 2.88 0.12 2.41 4.77 -0.73 -3.73 117.00 123.36 1wvk n LEU 84 Ca 0.17 -2.03 -0.16 0.00 -0.03 0.00 0.00 56.01 53.96 1wvk n LEU 84 Cb 0.42 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1wvk n LEU 84 CO 0.14 0.71 0.51 0.50 -1.33 0.00 0.00 177.39 177.93 1wvk h LYS 85 N 1.84 -0.70 0.00 3.23 3.11 -1.78 -3.50 116.57 118.77 1wvk h LYS 85 Ca 0.00 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1wvk h LYS 85 Cb 0.74 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1wvk h LYS 85 CO 0.01 -0.47 0.00 1.17 -2.81 0.00 0.00 179.45 177.35