#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 -3.86 1.61 8.25 -1.26 -4.93 115.22 115.03 1wvk n HIS 2 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1wvk n HIS 2 Cb 0.00 -2.23 -0.07 0.00 1.12 0.00 0.00 29.99 28.81 1wvk n HIS 2 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1wvk s HIS 3 N -1.80 0.18 0.51 4.41 4.02 -1.26 -5.15 115.29 116.19 1wvk s HIS 3 Ca 0.00 -0.56 -0.21 0.00 1.02 0.00 0.00 55.06 55.31 1wvk s HIS 3 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.58 31.50 1wvk s HIS 3 CO 0.00 -0.64 1.15 -3.38 1.02 0.00 0.00 174.74 172.89 1wvk s HIS 4 N -3.89 2.73 -0.01 1.40 0.00 -1.26 -5.05 115.29 109.21 1wvk s HIS 4 Ca 0.09 1.54 0.03 0.00 -3.00 0.00 0.00 55.06 53.72 1wvk s HIS 4 Cb 0.04 -3.34 -0.01 0.00 -4.00 0.00 0.00 32.58 25.27 1wvk s HIS 4 CO -0.07 -1.60 -0.11 -3.38 -1.00 0.00 0.00 174.74 168.58 1wvk s HIS 5 N -1.66 1.01 -0.23 0.38 0.00 -1.26 -5.13 115.29 108.40 1wvk s HIS 5 Ca 0.69 -0.21 -0.20 0.00 -3.00 0.00 0.00 55.06 52.34 1wvk s HIS 5 Cb -0.26 -0.67 0.06 0.00 -4.00 0.00 0.00 32.58 27.71 1wvk s HIS 5 CO 0.31 -0.04 0.60 -1.58 -1.00 0.00 0.00 174.74 173.02 1wvk s HIS 6 N -0.14 -0.68 -0.05 0.38 5.65 -1.26 -5.16 115.29 114.03 1wvk s HIS 6 Ca 0.02 1.63 0.01 0.00 0.25 0.00 0.00 55.06 56.97 1wvk s HIS 6 Cb -0.06 0.25 0.02 0.00 -1.18 0.00 0.00 32.58 31.62 1wvk s HIS 6 CO -0.00 -0.33 -0.05 -1.01 -0.65 0.00 0.00 174.74 172.70 1wvk s HIS 7 N 0.45 0.83 0.14 3.88 0.09 -1.26 -4.92 115.29 114.50 1wvk s HIS 7 Ca -0.01 -0.25 0.00 0.00 -0.00 0.00 0.00 55.06 54.80 1wvk s HIS 7 Cb -0.04 -0.72 0.00 0.00 -0.00 0.00 0.00 32.58 31.81 1wvk s HIS 7 CO -0.01 -0.21 0.00 1.28 -0.00 0.00 0.00 174.74 175.80 1wvk n LEU 8 N 4.10 0.00 -0.81 0.89 4.32 -1.26 -4.89 117.00 119.34 1wvk n LEU 8 Ca -0.23 0.65 -0.11 0.00 -0.02 0.00 0.00 56.01 56.29 1wvk n LEU 8 Cb 0.51 -1.81 -0.05 0.00 -1.62 0.00 0.00 43.42 40.45 1wvk n LEU 8 CO 0.23 -1.89 -0.10 1.21 -1.22 0.00 0.00 177.39 175.62 1wvk n GLU 9 N -2.75 -1.29 -3.12 3.23 4.07 -1.26 -4.79 120.64 114.72 1wvk n GLU 9 Ca 0.00 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 57.94 1wvk n GLU 9 Cb 0.27 -5.02 0.00 0.00 -0.06 0.00 0.00 31.44 26.63 1wvk n GLU 9 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wvk n GLY 10 N -0.57 -1.08 3.33 8.31 0.00 -1.26 -5.07 105.19 108.85 1wvk n GLY 10 Ca -0.11 -0.80 -0.47 0.00 0.00 0.00 0.00 46.02 44.65 1wvk n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wvk s GLY 11 N 0.00 2.52 -1.13 -0.02 0.00 -1.26 -4.69 107.32 102.74 1wvk s GLY 11 Ca 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 44.72 41.54 1wvk s GLY 11 CO 0.00 1.27 1.86 0.61 0.00 0.00 0.00 173.10 176.84 1wvk n GLY 12 N 4.28 5.57 3.60 0.20 0.00 -1.26 -4.97 105.19 112.60 1wvk n GLY 12 Ca 0.08 -2.44 -0.43 0.00 0.00 0.00 0.00 46.02 43.23 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 -0.88 6.67 0.83 1.61 4.22 -1.26 -4.97 114.94 121.16 1wvk s ASN 13 Ca 0.40 0.54 -0.06 0.00 -2.14 0.00 0.00 52.86 51.60 1wvk s ASN 13 Cb 0.14 -2.47 0.17 0.00 1.28 0.00 0.00 41.25 40.38 1wvk s ASN 13 CO -0.05 -0.90 1.14 0.00 -2.04 0.00 0.00 177.10 175.25 1wvk s ALA 14 N 3.56 3.19 0.91 3.54 0.00 -1.26 -5.05 121.76 126.66 1wvk s ALA 14 Ca 0.39 -1.67 -0.12 0.00 0.00 0.00 0.00 51.96 50.56 1wvk s ALA 14 Cb -0.11 -2.22 0.14 0.00 0.00 0.00 0.00 23.12 20.93 1wvk s ALA 14 CO 0.20 -1.93 1.11 -0.65 0.00 0.00 0.00 175.76 174.49 1wvk s GLN 15 N -5.45 1.12 0.00 0.00 -0.21 -1.26 -3.28 119.66 110.58 1wvk s GLN 15 Ca 0.71 0.49 0.00 0.00 0.02 0.00 0.00 55.36 56.58 1wvk s GLN 15 Cb -0.04 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.16 1wvk s GLN 15 CO 0.48 -2.25 0.00 1.17 -2.12 0.00 0.00 175.29 172.57 1wvk n LYS 16 N -3.84 0.00 0.00 2.91 3.00 -1.26 -4.66 118.16 114.31 1wvk n LYS 16 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1wvk n LYS 16 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.52 1wvk n LYS 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wvk n SER 17 N 1.11 0.00 0.02 3.14 2.88 -1.20 -4.67 113.62 114.90 1wvk n SER 17 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1wvk n SER 17 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.00 -0.11 -0.01 -1.46 0.00 -1.89 -0.85 119.26 114.94 1wvk h ALA 18 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wvk h ALA 18 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wvk h ALA 18 CO 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 179.25 178.59 1wvk n MET 19 N -5.28 1.10 -0.01 0.00 0.00 -1.26 -3.32 117.12 108.34 1wvk n MET 19 Ca -0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 57.70 57.19 1wvk n MET 19 Cb 0.20 -1.49 -0.13 0.00 0.00 0.00 0.00 33.22 31.80 1wvk n MET 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wvk n ALA 20 N -0.60 1.61 0.06 3.17 0.00 -0.53 -3.86 120.51 120.36 1wvk n ALA 20 Ca 0.19 -0.75 0.09 0.00 0.00 0.00 0.00 53.44 52.97 1wvk n ALA 20 Cb 0.25 -0.83 0.27 0.00 0.00 0.00 0.00 19.45 19.14 1wvk n ALA 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wvk n ARG 21 N -2.98 2.47 0.02 0.00 1.74 -0.44 -4.15 116.66 113.32 1wvk n ARG 21 Ca -0.16 -2.18 -0.09 0.00 -0.77 0.00 0.00 57.85 54.65 1wvk n ARG 21 Cb 1.01 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 31.02 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wvk h ALA 22 N 4.08 0.71 -3.00 7.54 0.00 -1.66 -3.46 119.26 123.47 1wvk h ALA 22 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1wvk h ALA 22 Cb 0.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wvk h ALA 22 CO 0.02 0.70 0.00 1.63 0.00 0.00 0.00 179.25 181.60 1wvk n LYS 23 N -3.93 0.00 0.00 0.00 5.02 -1.26 -5.04 118.16 112.95 1wvk n LYS 23 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1wvk n LYS 23 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 1wvk n LYS 23 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wvk n ASN 24 N 0.00 0.00 -4.07 4.39 5.15 -1.26 -4.53 115.26 114.94 1wvk n ASN 24 Ca 0.00 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.66 1wvk n ASN 24 Cb 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.09 1wvk n ASN 24 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1wvk s LEU 25 N 0.00 2.45 0.12 1.20 2.96 -1.26 -4.35 118.68 119.80 1wvk s LEU 25 Ca 0.00 -0.88 0.12 0.00 -0.22 0.00 0.00 54.13 53.16 1wvk s LEU 25 Cb 0.00 -1.41 -0.13 0.00 0.50 0.00 0.00 46.19 45.15 1wvk s LEU 25 CO 0.00 -0.09 1.10 1.05 -1.32 0.00 0.00 176.35 177.10 1wvk h GLU 26 N 7.92 0.00 -0.65 1.98 4.11 -1.97 -3.35 114.58 122.62 1wvk h GLU 26 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 1wvk h GLU 26 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1wvk h GLU 26 CO 0.55 0.63 0.00 0.36 0.07 0.00 0.00 179.01 180.61 1wvk n LYS 27 N -3.16 1.33 -1.89 1.06 2.85 -1.26 -4.80 118.16 112.29 1wvk n LYS 27 Ca -0.05 -0.32 -0.05 0.00 -1.05 0.00 0.00 58.31 56.85 1wvk n LYS 27 Cb 0.89 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.87 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 -0.05 0.17 -2.62 0.58 0.00 -1.26 -5.15 120.51 112.18 1wvk n ALA 28 Ca 0.03 -0.42 -0.20 0.00 0.00 0.00 0.00 53.44 52.85 1wvk n ALA 28 Cb 0.25 0.17 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.44 0.93 0.05 0.00 -0.14 -1.26 -5.15 119.74 111.72 1wvk s LYS 29 Ca 0.07 -1.06 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 1wvk s LYS 29 Cb -0.01 -0.97 0.00 0.00 -1.68 0.00 0.00 37.83 35.18 1wvk s LYS 29 CO 0.04 0.21 0.02 0.00 -0.76 0.00 0.00 175.35 174.87 1wvk n ALA 30 N 1.07 0.06 -2.43 5.17 0.00 -1.26 -5.15 120.51 117.97 1wvk n ALA 30 Ca -0.20 -0.21 -0.16 0.00 0.00 0.00 0.00 53.44 52.88 1wvk n ALA 30 Cb 0.55 0.10 0.08 0.00 0.00 0.00 0.00 19.45 20.18 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 -2.88 0.05 0.17 0.00 0.00 -1.26 -5.06 120.51 111.53 1wvk n ALA 31 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1wvk n ALA 31 Cb 0.06 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.21 -0.70 3.82 0.00 0.00 -1.26 -5.10 105.19 101.74 1wvk n GLY 32 Ca 0.11 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1wvk n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvk s LYS 33 N -1.95 4.10 0.25 1.61 1.02 -1.26 -5.04 119.74 118.47 1wvk s LYS 33 Ca 0.00 0.61 -0.30 0.00 0.02 0.00 0.00 55.97 56.30 1wvk s LYS 33 Cb 0.00 -3.24 -0.09 0.00 -0.52 0.00 0.00 37.83 33.98 1wvk s LYS 33 CO 0.00 0.65 1.24 0.20 -0.92 0.00 0.00 175.35 176.51 1wvk s GLY 34 N -1.04 2.80 0.61 -3.33 0.00 -1.26 -5.03 107.32 100.06 1wvk s GLY 34 Ca 0.27 1.07 -0.02 0.00 0.00 0.00 0.00 44.72 46.03 1wvk s GLY 34 CO 0.17 1.84 0.88 -1.35 0.00 0.00 0.00 173.10 174.64 1wvk s SER 35 N -0.23 5.13 0.05 1.64 1.04 -1.26 -5.06 113.70 115.02 1wvk s SER 35 Ca 0.51 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1wvk s SER 35 Cb -0.36 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 64.72 1wvk s SER 35 CO 0.43 -1.30 0.00 0.00 0.98 0.00 0.00 173.24 173.34 1wvk n GLN 36 N -2.58 0.00 -0.09 4.02 1.13 -1.26 -4.94 117.38 113.66 1wvk n GLN 36 Ca 0.07 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.02 1wvk n GLN 36 Cb 0.60 -0.10 -0.11 0.00 0.11 0.00 0.00 30.24 30.74 1wvk n GLN 36 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1wvk n LEU 37 N -2.80 1.60 0.00 1.08 4.77 -1.26 -5.11 117.00 115.28 1wvk n LEU 37 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1wvk n LEU 37 Cb 0.00 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1wvk n LEU 37 CO 0.00 0.63 0.00 -1.84 -1.33 0.00 0.00 177.39 174.85 1wvk n GLU 38 N -2.86 0.00 0.00 3.23 0.28 -1.26 -4.85 120.64 115.18 1wvk n GLU 38 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.69 1wvk n GLU 38 Cb 0.95 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.82 1wvk n GLU 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wvk n ALA 39 N 0.20 0.00 0.81 -1.84 0.00 -1.26 -4.81 120.51 113.61 1wvk n ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wvk n ALA 39 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1wvk n ALA 39 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wvk n ASN 40 N 0.00 0.56 0.00 0.00 3.02 -1.26 -4.10 115.26 113.48 1wvk n ASN 40 Ca 0.00 -1.37 0.00 0.00 -0.03 0.00 0.00 54.58 53.18 1wvk n ASN 40 Cb 0.00 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1wvk n ASN 40 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1wvk n LYS 41 N 0.04 0.00 0.00 3.52 4.81 -1.26 -4.94 118.16 120.33 1wvk n LYS 41 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wvk n LYS 41 Cb 0.14 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.19 1wvk n LYS 41 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1wvk n LYS 42 N -1.79 0.00 0.06 1.64 4.81 -1.26 -4.43 118.16 117.19 1wvk n LYS 42 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 1wvk n LYS 42 Cb 0.00 -1.14 0.11 0.00 0.02 0.00 0.00 35.03 34.02 1wvk n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wvk h ALA 43 N 0.00 0.51 -4.99 3.14 0.00 -1.94 -3.49 119.26 112.48 1wvk h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wvk h ALA 43 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wvk h ALA 43 CO 0.00 0.00 -0.93 -1.33 0.00 0.00 0.00 179.25 176.99 1wvk n MET 44 N -2.19 -3.29 0.00 0.00 2.81 -1.26 -5.01 117.12 108.17 1wvk n MET 44 Ca 0.02 2.66 0.00 0.00 -1.81 0.00 0.00 57.70 58.57 1wvk n MET 44 Cb 0.46 -5.11 0.00 0.00 -0.71 0.00 0.00 33.22 27.86 1wvk n MET 44 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1wvk n SER 45 N 0.66 0.00 -4.29 7.83 2.88 -1.24 -4.97 113.62 114.50 1wvk n SER 45 Ca -0.00 0.41 -0.16 0.00 -1.33 0.00 0.00 58.87 57.78 1wvk n SER 45 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1wvk n SER 45 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wvk s ILE 46 N -0.81 1.41 -0.11 2.46 1.01 -1.20 -4.97 121.20 118.97 1wvk s ILE 46 Ca 0.00 -2.08 -0.02 0.00 0.00 0.00 0.00 60.65 58.55 1wvk s ILE 46 Cb 0.00 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1wvk s ILE 46 CO 0.00 -0.65 -0.04 -1.58 0.00 0.00 0.00 174.94 172.67 1wvk s GLN 47 N -3.58 3.26 0.35 2.79 0.74 -1.25 -0.94 119.66 121.04 1wvk s GLN 47 Ca 0.18 -0.50 -0.25 0.00 0.05 0.00 0.00 55.36 54.83 1wvk s GLN 47 Cb 0.00 -2.79 -0.09 0.00 1.10 0.00 0.00 33.01 31.22 1wvk s GLN 47 CO 0.03 0.47 1.00 0.00 -0.55 0.00 0.00 175.29 176.24 1wvk h LYS 49 N 2.92 0.37 -1.04 0.00 3.64 -1.42 -3.11 116.57 117.93 1wvk h LYS 49 Ca -0.47 -0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.17 1wvk h LYS 49 Cb 1.20 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1wvk h LYS 49 CO 0.64 0.25 0.71 -0.24 -2.27 0.00 0.00 179.45 178.54 1wvk h VAL 50 N 0.38 0.51 0.00 2.00 3.04 -1.87 -3.42 116.25 116.89 1wvk h VAL 50 Ca 0.13 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 1wvk h VAL 50 Cb 0.01 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 29.59 1wvk h VAL 50 CO -0.06 0.03 0.00 0.00 -1.01 0.00 0.00 177.57 176.53 1wvk n MET 52 N -2.31 0.00 -2.15 0.00 0.00 -1.18 -4.96 117.12 106.52 1wvk n MET 52 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 57.70 57.38 1wvk n MET 52 Cb 0.00 0.41 0.17 0.00 0.00 0.00 0.00 33.22 33.79 1wvk n MET 52 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1wvk s GLN 53 N 0.00 0.89 0.02 3.17 -1.52 -1.25 -4.64 119.66 116.33 1wvk s GLN 53 Ca 0.00 -0.69 0.02 0.00 -1.95 0.00 0.00 55.36 52.75 1wvk s GLN 53 Cb 0.00 -2.00 -0.02 0.00 -0.22 0.00 0.00 33.01 30.78 1wvk s GLN 53 CO 0.00 -2.16 -0.08 -0.08 -0.25 0.00 0.00 175.29 172.72 1wvk s THR 54 N -3.67 0.60 0.47 -0.19 -1.32 -1.26 0.62 115.64 110.90 1wvk s THR 54 Ca 0.72 -0.72 0.07 0.00 -1.21 0.00 0.00 61.69 60.56 1wvk s THR 54 Cb -0.04 -0.58 0.01 0.00 -1.51 0.00 0.00 72.50 70.38 1wvk s THR 54 CO 0.50 -0.10 0.42 -0.36 -2.21 0.00 0.00 174.62 172.87 1wvk s PHE 55 N -0.77 2.25 0.05 9.09 0.08 -0.11 -4.91 117.98 123.66 1wvk s PHE 55 Ca -0.03 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.41 1wvk s PHE 55 Cb -0.06 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 1wvk s PHE 55 CO 0.00 -0.32 0.10 -1.50 -0.10 0.00 0.00 175.22 173.40 1wvk s ILE 56 N -2.59 4.69 -1.13 0.64 -1.16 -1.26 -3.23 121.20 117.16 1wvk s ILE 56 Ca 0.45 -0.63 -0.22 0.00 -0.51 0.00 0.00 60.65 59.75 1wvk s ILE 56 Cb -0.03 -3.23 -0.07 0.00 0.61 0.00 0.00 42.46 39.73 1wvk s ILE 56 CO 0.27 0.19 1.91 0.00 -2.81 0.00 0.00 174.94 174.50 1wvk n THR 58 N 7.12 0.02 -3.53 0.00 5.66 -1.26 -4.96 114.28 117.34 1wvk n THR 58 Ca 0.47 -0.05 -0.16 0.00 -3.05 0.00 0.00 64.05 61.26 1wvk n THR 58 Cb 0.45 0.68 -0.05 0.00 -1.55 0.00 0.00 70.33 69.86 1wvk n THR 58 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wvk s THR 59 N -3.05 0.00 -0.07 1.09 2.01 -1.26 -5.14 115.64 109.22 1wvk s THR 59 Ca 0.07 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.87 1wvk s THR 59 Cb 0.16 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1wvk s THR 59 CO 0.82 0.00 0.58 -0.44 -0.69 0.00 0.00 174.62 174.89 1wvk s SER 60 N -1.29 6.85 0.54 3.53 0.01 -1.26 -4.95 113.70 117.13 1wvk s SER 60 Ca -0.08 1.02 0.29 0.00 1.31 0.00 0.00 55.95 58.49 1wvk s SER 60 Cb -0.00 -2.35 1.45 0.00 0.21 0.00 0.00 66.02 65.33 1wvk s SER 60 CO 0.07 -0.01 1.93 -0.33 0.41 0.00 0.00 173.24 175.30 1wvk h GLU 61 N 6.48 0.00 -0.73 12.44 5.08 -2.00 0.18 114.58 136.04 1wvk h GLU 61 Ca -0.42 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1wvk h GLU 61 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1wvk h GLU 61 CO 0.74 0.00 0.48 0.28 -1.00 0.00 0.00 179.01 179.51 1wvk h VAL 62 N 0.00 1.11 -0.02 3.13 2.07 -1.98 0.72 116.25 121.29 1wvk h VAL 62 Ca 0.36 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 1wvk h VAL 62 Cb 1.44 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1wvk h VAL 62 CO -0.00 0.16 -0.58 0.50 0.02 0.00 0.00 177.57 177.67 1wvk h LYS 63 N 0.89 0.05 0.00 1.57 3.11 -1.36 -1.95 116.57 118.88 1wvk h LYS 63 Ca 0.29 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.97 1wvk h LYS 63 Cb 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.26 1wvk h LYS 63 CO -0.08 0.62 -0.58 0.00 -2.81 0.00 0.00 179.45 176.59 1wvk h ARG 65 N 0.00 0.10 -0.74 0.00 3.08 0.12 0.14 114.38 117.08 1wvk h ARG 65 Ca -0.01 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1wvk h ARG 65 Cb 1.44 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.45 1wvk h ARG 65 CO 0.07 0.31 0.25 1.05 -1.07 0.00 0.00 179.97 180.58 1wvk h GLU 66 N -0.12 1.12 -0.07 0.04 4.11 -1.61 -0.75 114.58 117.30 1wvk h GLU 66 Ca 0.02 -0.23 -0.03 0.00 0.07 0.00 0.00 59.36 59.19 1wvk h GLU 66 Cb 0.25 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1wvk h GLU 66 CO 0.00 0.94 -0.09 1.25 0.07 0.00 0.00 179.01 181.18 1wvk h HIS 67 N 1.09 0.11 0.00 2.06 2.76 -1.44 -0.74 115.15 118.99 1wvk h HIS 67 Ca 0.24 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1wvk h HIS 67 Cb 0.27 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.20 1wvk h HIS 67 CO 0.02 0.20 -0.00 0.00 -1.30 0.00 0.00 177.93 176.85 1wvk h ALA 68 N 1.81 -0.01 0.00 5.26 0.00 0.02 -3.21 119.26 123.13 1wvk h ALA 68 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wvk h ALA 68 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wvk h ALA 68 CO 0.01 -0.06 0.00 1.05 0.00 0.00 0.00 179.25 180.25 1wvk h GLU 69 N -0.89 0.00 0.00 0.00 4.11 -1.03 0.33 114.58 117.10 1wvk h GLU 69 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wvk h GLU 69 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1wvk h GLU 69 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.08 1wvk h ALA 70 N 2.09 1.00 -1.20 1.06 0.00 -1.19 -3.43 119.26 117.59 1wvk h ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wvk h ALA 70 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wvk h ALA 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1wvk n LYS 71 N -2.71 0.00 -3.87 0.00 4.76 -0.40 -5.08 118.16 110.87 1wvk n LYS 71 Ca 0.03 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.12 1wvk n LYS 71 Cb 0.40 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.61 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 -1.90 -1.75 -0.04 2.13 1.44 0.10 -4.97 115.22 110.23 1wvk n HIS 72 Ca 0.00 0.40 -0.00 0.00 -2.01 0.00 0.00 57.72 56.11 1wvk n HIS 72 Cb 0.00 -2.99 -0.00 0.00 0.12 0.00 0.00 29.99 27.12 1wvk n HIS 72 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 1wvk h PRO 73 N -1.73 -0.02 -1.18 -1.40 0.13 -1.87 -3.48 132.00 122.46 1wvk h PRO 73 Ca -0.65 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.51 1wvk h PRO 73 Cb 1.38 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.28 1wvk h PRO 73 CO 0.46 -0.01 -0.34 -1.59 -0.23 0.00 0.00 178.00 176.29 1wvk s LYS 74 N -1.57 0.53 -0.97 0.86 -2.85 -1.26 -5.08 119.74 109.39 1wvk s LYS 74 Ca -0.00 0.79 -0.21 0.00 -1.00 0.00 0.00 55.97 55.55 1wvk s LYS 74 Cb 0.00 0.29 0.09 0.00 -2.06 0.00 0.00 37.83 36.15 1wvk s LYS 74 CO 0.01 -0.74 1.28 0.00 0.10 0.00 0.00 175.35 176.00 1wvk s ALA 75 N 2.79 3.06 0.00 0.59 0.00 -1.26 -4.75 121.76 122.18 1wvk s ALA 75 Ca 0.17 -2.53 0.00 0.00 0.00 0.00 0.00 51.96 49.60 1wvk s ALA 75 Cb -0.14 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.70 1wvk s ALA 75 CO -0.22 -3.28 0.00 -3.47 0.00 0.00 0.00 175.76 168.79 1wvk n ASP 76 N 7.66 0.00 0.11 0.00 2.03 -1.26 -3.85 116.55 121.23 1wvk n ASP 76 Ca 0.28 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.72 1wvk n ASP 76 Cb 0.50 -0.11 0.43 0.00 -0.72 0.00 0.00 41.12 41.22 1wvk n ASP 76 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1wvk n VAL 77 N -2.17 0.63 -0.35 5.18 0.24 -1.26 -1.62 118.33 118.98 1wvk n VAL 77 Ca 0.00 -0.15 0.09 0.00 -2.04 0.00 0.00 64.34 62.24 1wvk n VAL 77 Cb 0.00 -0.72 0.25 0.00 -1.47 0.00 0.00 33.84 31.90 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 -2.23 1.17 0.28 3.34 0.24 -1.26 -4.52 118.33 115.35 1wvk n VAL 78 Ca 0.05 -1.07 0.18 0.00 -2.04 0.00 0.00 64.34 61.46 1wvk n VAL 78 Cb 0.38 0.42 0.96 0.00 -1.47 0.00 0.00 33.84 34.13 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 3.20 1.00 0.00 2.33 0.00 -1.41 0.67 119.26 125.05 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 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1wvk h ALA 79 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1wvk n PHE 81 N -1.99 -2.40 0.79 0.00 -0.00 0.21 -1.05 117.46 113.02 1wvk n PHE 81 Ca 0.05 -2.32 0.00 0.00 -0.00 0.00 0.00 57.45 55.18 1wvk n PHE 81 Cb 0.34 0.88 0.02 0.00 -0.00 0.00 0.00 39.48 40.73 1wvk n PHE 81 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1wvk n PRO 82 N 2.26 0.39 0.00 -7.13 -0.02 -1.12 -1.55 135.00 127.84 1wvk n PRO 82 Ca 0.19 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 1wvk n PRO 82 Cb 0.56 -1.03 0.36 0.00 -0.02 0.00 0.00 33.50 33.36 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 -0.53 0.00 -1.16 6.00 8.25 -1.26 -4.04 115.22 122.48 1wvk n HIS 83 Ca 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.56 1wvk n HIS 83 Cb 0.00 -0.10 0.14 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.53 2.32 -0.30 2.41 4.77 -0.59 -4.41 117.00 120.67 1wvk n LEU 84 Ca 0.12 -3.12 0.07 0.00 -0.03 0.00 0.00 56.01 53.06 1wvk n LEU 84 Cb 0.36 -0.43 0.16 0.00 -2.33 0.00 0.00 43.42 41.18 1wvk n LEU 84 CO 0.25 0.77 0.59 0.29 -1.33 0.00 0.00 177.39 177.96 1wvk n LYS 85 N -1.36 -0.07 0.00 3.23 5.02 -1.26 -5.02 118.16 118.69 1wvk n LYS 85 Ca 0.16 1.30 0.14 0.00 -2.02 0.00 0.00 58.31 57.89 1wvk n LYS 85 Cb 0.65 -1.98 0.49 0.00 -0.02 0.00 0.00 35.03 34.17 1wvk n LYS 85 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05