#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvk h HIS 2 N 0.00 0.00 0.00 1.61 6.17 -2.14 -3.49 115.15 117.30 1wvk h HIS 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1wvk h HIS 2 Cb 0.00 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.93 1wvk h HIS 2 CO 0.00 0.16 0.00 0.72 0.71 0.00 0.00 177.93 179.52 1wvk n HIS 3 N -3.73 0.00 -3.60 5.26 -0.00 -1.26 -5.11 115.22 106.78 1wvk n HIS 3 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.55 1wvk n HIS 3 Cb 0.28 -0.65 -0.07 0.00 -0.00 0.00 0.00 29.99 29.55 1wvk n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1wvk s HIS 4 N -3.27 -0.71 -0.11 4.41 -0.00 -1.26 -5.04 115.29 109.31 1wvk s HIS 4 Ca 0.00 1.55 0.17 0.00 -0.00 0.00 0.00 55.06 56.78 1wvk s HIS 4 Cb 0.00 0.31 -0.26 0.00 -0.00 0.00 0.00 32.58 32.63 1wvk s HIS 4 CO 0.00 -0.46 0.42 0.72 -0.00 0.00 0.00 174.74 175.42 1wvk n HIS 5 N 2.00 0.00 -1.20 0.38 8.25 -1.26 -5.09 115.22 118.30 1wvk n HIS 5 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1wvk n HIS 5 Cb 0.56 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1wvk n HIS 5 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1wvk n HIS 6 N -2.03 -1.05 -0.13 4.41 -0.00 -1.26 -4.94 115.22 110.22 1wvk n HIS 6 Ca -0.02 0.63 -0.10 0.00 0.46 0.00 0.00 57.72 58.68 1wvk n HIS 6 Cb 0.43 -2.39 -0.01 0.00 -0.12 0.00 0.00 29.99 27.90 1wvk n HIS 6 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1wvk h HIS 7 N 0.92 0.65 0.00 1.57 -0.00 -1.96 -3.46 115.15 112.88 1wvk h HIS 7 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1wvk h HIS 7 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 1wvk h HIS 7 CO 0.00 0.64 0.00 -0.11 -0.00 0.00 0.00 177.93 178.46 1wvk n LEU 8 N -4.57 0.00 -4.76 0.26 7.94 -1.26 -4.73 117.00 109.89 1wvk n LEU 8 Ca -0.01 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.51 1wvk n LEU 8 Cb 0.21 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.10 1wvk n LEU 8 CO 0.38 0.00 0.19 -0.70 -1.11 0.00 0.00 177.39 176.16 1wvk s GLU 9 N 0.00 4.25 0.00 1.96 2.56 -1.26 -4.09 118.70 122.12 1wvk s GLU 9 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 54.97 55.50 1wvk s GLU 9 Cb 0.00 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.77 1wvk s GLU 9 CO 0.00 0.33 0.00 0.41 -0.56 0.00 0.00 175.26 175.44 1wvk n GLY 10 N 2.72 0.76 2.70 -1.50 0.00 -1.26 -5.02 105.19 103.60 1wvk n GLY 10 Ca -0.08 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 6.02 0.28 -0.02 0.00 -1.26 -4.63 105.19 105.58 1wvk n GLY 11 Ca 0.00 -2.56 0.14 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.16 -0.45 1.86 -0.02 0.00 -1.26 -5.05 105.19 100.11 1wvk n GLY 12 Ca 0.48 -0.35 0.18 0.00 0.00 0.00 0.00 46.02 46.33 1wvk n GLY 12 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wvk n ASN 13 N -0.36 -8.17 -2.88 1.61 0.23 -1.26 -4.89 115.26 99.54 1wvk n ASN 13 Ca 0.19 1.40 -0.12 0.00 -0.53 0.00 0.00 54.58 55.52 1wvk n ASN 13 Cb 0.28 -3.94 0.05 0.00 -2.08 0.00 0.00 39.78 34.08 1wvk n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wvk n ALA 14 N -2.05 0.85 -0.79 -2.53 0.00 -1.26 -5.05 120.51 109.67 1wvk n ALA 14 Ca 0.01 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.18 1wvk n ALA 14 Cb 0.59 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 0.17 0.00 -0.22 0.00 6.02 -1.26 -2.97 117.38 119.12 1wvk n GLN 15 Ca 0.12 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.12 1wvk n GLN 15 Cb 0.72 0.00 0.10 0.00 1.02 0.00 0.00 30.24 32.08 1wvk n GLN 15 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1wvk n LYS 16 N 0.00 1.94 -0.19 -1.09 2.85 -1.26 -4.08 118.16 116.33 1wvk n LYS 16 Ca 0.00 -0.77 -0.02 0.00 -1.05 0.00 0.00 58.31 56.47 1wvk n LYS 16 Cb 0.00 -1.66 0.01 0.00 -0.65 0.00 0.00 35.03 32.73 1wvk n LYS 16 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1wvk n SER 17 N 0.15 3.56 -0.29 -5.58 3.41 -1.16 -4.42 113.62 109.29 1wvk n SER 17 Ca 0.07 -2.20 0.05 0.00 -0.26 0.00 0.00 58.87 56.52 1wvk n SER 17 Cb 0.47 -0.65 0.20 0.00 -0.26 0.00 0.00 64.21 63.97 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 1.75 1.22 0.00 7.33 0.00 -1.91 0.12 119.26 127.77 1wvk h ALA 18 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wvk h ALA 18 Cb 1.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wvk h ALA 18 CO 0.09 0.00 -0.96 -1.33 0.00 0.00 0.00 179.25 177.05 1wvk n MET 19 N -4.81 0.19 0.01 0.00 2.81 -1.26 -3.89 117.12 110.17 1wvk n MET 19 Ca 0.15 -0.01 0.12 0.00 -1.81 0.00 0.00 57.70 56.15 1wvk n MET 19 Cb 0.35 -1.56 0.27 0.00 -0.71 0.00 0.00 33.22 31.58 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 -1.72 3.33 1.16 3.04 0.00 -0.65 -3.33 120.51 122.34 1wvk n ALA 20 Ca 0.03 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.29 1wvk n ALA 20 Cb 0.40 -1.16 0.39 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.61 0.43 -0.36 0.00 1.85 0.31 -4.08 116.66 113.21 1wvk n ARG 21 Ca 0.05 -0.22 0.02 0.00 -1.00 0.00 0.00 57.85 56.71 1wvk n ARG 21 Cb 0.35 -1.50 0.18 0.00 -1.05 0.00 0.00 32.46 30.45 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wvk h ALA 22 N 3.36 1.41 -2.79 2.89 0.00 -1.74 -3.37 119.26 119.02 1wvk h ALA 22 Ca 0.00 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.34 1wvk h ALA 22 Cb 0.48 -0.31 -0.40 0.00 0.00 0.00 0.00 17.79 17.56 1wvk h ALA 22 CO 0.00 0.45 -0.79 0.15 0.00 0.00 0.00 179.25 179.06 1wvk s LYS 23 N -6.02 0.28 0.00 0.00 1.02 -1.26 -4.89 119.74 108.87 1wvk s LYS 23 Ca -0.12 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1wvk s LYS 23 Cb 0.20 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 36.27 1wvk s LYS 23 CO 0.81 -1.04 0.00 -1.71 -0.92 0.00 0.00 175.35 172.49 1wvk n ASN 24 N 5.06 0.00 0.00 2.83 5.15 -1.26 -4.93 115.26 122.10 1wvk n ASN 24 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1wvk n ASN 24 Cb 0.41 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1wvk n ASN 24 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1wvk n LEU 25 N -2.39 0.33 -4.08 1.20 7.94 -1.26 -4.53 117.00 114.21 1wvk n LEU 25 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1wvk n LEU 25 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1wvk n LEU 25 CO 0.00 0.00 -0.25 -1.61 -1.11 0.00 0.00 177.39 174.42 1wvk s GLU 26 N 0.00 0.88 -0.02 1.96 2.02 -1.26 -5.09 118.70 117.19 1wvk s GLU 26 Ca 0.00 -1.31 -0.00 0.00 0.02 0.00 0.00 54.97 53.68 1wvk s GLU 26 Cb 0.00 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.48 1wvk s GLU 26 CO 0.00 -0.25 -0.02 0.36 0.02 0.00 0.00 175.26 175.38 1wvk n LYS 27 N -0.06 0.04 -3.80 1.61 2.85 -1.26 -5.00 118.16 112.54 1wvk n LYS 27 Ca -0.09 0.01 -0.29 0.00 -1.05 0.00 0.00 58.31 56.89 1wvk n LYS 27 Cb 0.63 -0.92 -0.16 0.00 -0.65 0.00 0.00 35.03 33.93 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 -2.03 1.51 0.00 0.58 0.00 -1.26 -4.91 121.76 115.65 1wvk s ALA 28 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1wvk s ALA 28 Cb 0.01 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1wvk s ALA 28 CO 0.03 -1.36 0.00 1.17 0.00 0.00 0.00 175.76 175.61 1wvk n LYS 29 N 4.85 4.64 -3.58 0.00 3.00 -1.26 -5.08 118.16 120.73 1wvk n LYS 29 Ca -0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.13 1wvk n LYS 29 Cb 0.44 -0.44 -0.04 0.00 0.00 0.00 0.00 35.03 35.00 1wvk n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wvk s ALA 30 N -0.84 -1.13 -0.60 3.14 0.00 -1.26 -5.12 121.76 115.95 1wvk s ALA 30 Ca 0.00 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 1wvk s ALA 30 Cb 0.00 0.77 0.09 0.00 0.00 0.00 0.00 23.12 23.98 1wvk s ALA 30 CO 0.00 -0.70 0.76 0.00 0.00 0.00 0.00 175.76 175.82 1wvk s ALA 31 N -3.80 3.34 0.09 0.00 0.00 -1.26 -4.90 121.76 115.23 1wvk s ALA 31 Ca 0.03 -2.08 -0.15 0.00 0.00 0.00 0.00 51.96 49.76 1wvk s ALA 31 Cb 0.01 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.41 1wvk s ALA 31 CO -0.11 -2.42 1.35 0.78 0.00 0.00 0.00 175.76 175.36 1wvk h GLY 32 N 10.30 0.75 -0.45 0.00 0.00 -1.99 -3.47 103.07 108.19 1wvk h GLY 32 Ca -0.29 -0.88 -0.19 0.00 0.00 0.00 0.00 47.33 45.96 1wvk h GLY 32 CO 1.11 0.79 -0.18 0.28 0.00 0.00 0.00 176.54 178.54 1wvk n LYS 33 N -4.19 -1.38 0.00 4.80 5.02 -1.26 -4.68 118.16 116.47 1wvk n LYS 33 Ca -0.06 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1wvk n LYS 33 Cb 0.56 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 1wvk n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wvk n GLY 34 N -0.37 -0.58 3.54 0.72 0.00 -1.26 -5.08 105.19 102.15 1wvk n GLY 34 Ca -0.10 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 6.43 0.00 1.61 0.15 -1.26 -4.03 113.70 116.60 1wvk s SER 35 Ca 0.00 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.33 1wvk s SER 35 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wvk s SER 35 CO 0.00 -1.50 0.00 0.00 1.20 0.00 0.00 173.24 172.94 1wvk n GLN 36 N 8.57 0.00 -0.05 5.44 6.02 -1.26 -4.92 117.38 131.18 1wvk n GLN 36 Ca 0.24 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.13 1wvk n GLN 36 Cb 0.50 -0.12 -0.03 0.00 1.02 0.00 0.00 30.24 31.61 1wvk n GLN 36 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wvk n LEU 37 N -2.36 1.57 -2.24 1.08 4.32 -1.26 -5.11 117.00 113.00 1wvk n LEU 37 Ca 0.00 0.26 -0.01 0.00 -0.02 0.00 0.00 56.01 56.23 1wvk n LEU 37 Cb 0.03 -0.59 -0.01 0.00 -1.62 0.00 0.00 43.42 41.23 1wvk n LEU 37 CO 0.00 -0.23 -0.35 1.21 -1.22 0.00 0.00 177.39 176.80 1wvk n GLU 38 N -4.06 -2.43 -4.87 3.23 2.13 -1.26 -5.05 120.64 108.33 1wvk n GLU 38 Ca -0.16 2.08 -0.32 0.00 0.66 0.00 0.00 57.16 59.43 1wvk n GLU 38 Cb 0.45 -3.72 -0.17 0.00 0.27 0.00 0.00 31.44 28.27 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 -0.85 2.11 0.22 4.31 0.00 -1.26 -5.11 121.76 121.18 1wvk s ALA 39 Ca -0.05 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 1wvk s ALA 39 Cb 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 23.12 22.16 1wvk s ALA 39 CO 0.50 0.10 1.08 0.54 0.00 0.00 0.00 175.76 177.99 1wvk s ASN 40 N 0.63 7.30 -0.01 0.00 4.22 -1.26 -4.92 114.94 120.91 1wvk s ASN 40 Ca -0.12 2.14 0.07 0.00 -2.14 0.00 0.00 52.86 52.81 1wvk s ASN 40 Cb -0.16 -2.61 -0.09 0.00 1.28 0.00 0.00 41.25 39.66 1wvk s ASN 40 CO 0.03 -0.16 0.17 0.29 -2.04 0.00 0.00 177.10 175.40 1wvk n LYS 41 N 1.85 1.25 0.00 3.55 5.02 -1.26 -5.02 118.16 123.55 1wvk n LYS 41 Ca 0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1wvk n LYS 41 Cb 0.46 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.60 0.00 -0.28 1.97 5.02 -1.26 -4.09 118.16 117.92 1wvk n LYS 42 Ca -0.01 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.32 1wvk n LYS 42 Cb 0.16 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.33 1wvk n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wvk n ALA 43 N 0.00 2.79 0.00 7.82 0.00 -1.26 -4.90 120.51 124.95 1wvk n ALA 43 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1wvk n ALA 43 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.36 0.00 0.00 0.00 0.00 -1.26 -4.82 117.12 111.40 1wvk n MET 44 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1wvk n MET 44 Cb 0.47 -2.98 0.00 0.00 0.00 0.00 0.00 33.22 30.71 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 -4.10 3.17 7.64 -1.26 -4.70 113.62 114.37 1wvk n SER 45 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1wvk n SER 45 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.78 -0.01 0.44 1.01 -0.81 -4.85 121.20 117.77 1wvk s ILE 46 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1wvk s ILE 46 Cb 0.00 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 1wvk s ILE 46 CO 0.00 -0.23 -0.06 -1.58 0.00 0.00 0.00 174.94 173.07 1wvk s GLN 47 N -1.43 2.60 -0.03 2.79 0.74 -1.26 -0.71 119.66 122.36 1wvk s GLN 47 Ca -0.05 -0.69 -0.27 0.00 0.05 0.00 0.00 55.36 54.40 1wvk s GLN 47 Cb -0.09 -2.53 -0.03 0.00 1.10 0.00 0.00 33.01 31.46 1wvk s GLN 47 CO 0.01 0.61 0.87 0.00 -0.55 0.00 0.00 175.29 176.23 1wvk h LYS 49 N 6.79 0.43 -0.06 0.00 3.11 -0.58 -2.31 116.57 123.96 1wvk h LYS 49 Ca -0.41 -0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.42 1wvk h LYS 49 Cb 1.21 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1wvk h LYS 49 CO 0.75 0.29 0.10 -0.39 -2.81 0.00 0.00 179.45 177.38 1wvk h VAL 50 N 0.44 0.32 0.00 2.00 -1.51 -1.83 -3.44 116.25 112.23 1wvk h VAL 50 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.93 1wvk h VAL 50 Cb 1.08 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1wvk h VAL 50 CO -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.16 1wvk n MET 52 N -0.26 1.04 -0.27 0.00 1.56 -1.15 -4.86 117.12 113.19 1wvk n MET 52 Ca 0.00 -0.96 0.00 0.00 -0.27 0.00 0.00 57.70 56.47 1wvk n MET 52 Cb 0.00 0.31 0.00 0.00 2.15 0.00 0.00 33.22 35.68 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 -1.16 0.65 -3.91 2.12 1.13 -1.24 -4.73 117.38 110.24 1wvk n GLN 53 Ca -0.14 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.83 1wvk n GLN 53 Cb 0.79 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 31.05 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 -0.08 0.12 0.20 5.09 -1.32 -1.26 -1.08 115.64 117.31 1wvk s THR 54 Ca 0.00 -1.03 0.05 0.00 -1.21 0.00 0.00 61.69 59.50 1wvk s THR 54 Cb 0.00 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 70.07 1wvk s THR 54 CO 0.00 -0.57 -0.06 -0.36 -2.21 0.00 0.00 174.62 171.42 1wvk s PHE 55 N -2.54 1.49 0.24 9.09 0.08 0.11 -4.83 117.98 121.62 1wvk s PHE 55 Ca -0.05 -0.81 -0.13 0.00 0.12 0.00 0.00 56.93 56.06 1wvk s PHE 55 Cb -0.01 -0.81 -0.08 0.00 -0.57 0.00 0.00 43.02 41.55 1wvk s PHE 55 CO -0.04 0.07 0.61 -1.50 -0.10 0.00 0.00 175.22 174.26 1wvk s ILE 56 N -3.31 4.82 -1.25 0.64 -1.16 -1.26 -1.92 121.20 117.75 1wvk s ILE 56 Ca 0.23 0.74 -0.19 0.00 -0.51 0.00 0.00 60.65 60.92 1wvk s ILE 56 Cb 0.04 -3.66 0.01 0.00 0.61 0.00 0.00 42.46 39.46 1wvk s ILE 56 CO 0.06 -0.02 1.89 0.00 -2.81 0.00 0.00 174.94 174.06 1wvk h THR 58 N 5.34 0.70 -4.41 0.00 1.35 -2.00 -3.45 112.91 110.43 1wvk h THR 58 Ca 0.41 -0.04 -0.26 0.00 -0.55 0.00 0.00 66.41 65.98 1wvk h THR 58 Cb 0.83 1.02 -0.12 0.00 -1.73 0.00 0.00 68.15 68.15 1wvk h THR 58 CO 1.52 0.01 -0.44 -0.89 -0.25 0.00 0.00 175.52 175.48 1wvk s THR 59 N -4.76 0.00 -1.15 6.82 2.01 -1.26 -5.03 115.64 112.27 1wvk s THR 59 Ca -0.05 -1.83 0.00 0.00 0.31 0.00 0.00 61.69 60.12 1wvk s THR 59 Cb 0.16 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1wvk s THR 59 CO 0.59 0.00 0.47 -1.20 -0.69 0.00 0.00 174.62 173.79 1wvk n SER 60 N -0.71 0.70 0.00 3.53 7.64 -1.26 -4.87 113.62 118.66 1wvk n SER 60 Ca 0.02 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1wvk n SER 60 Cb 0.64 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.00 0.00 -0.20 1.43 2.13 -1.26 -4.22 120.64 118.53 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 0.18 0.00 0.36 0.00 0.27 0.00 0.00 31.44 32.24 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 0.99 0.00 6.31 2.07 -1.97 0.18 116.25 123.83 1wvk h VAL 62 Ca 0.00 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1wvk h VAL 62 Cb 0.00 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1wvk h VAL 62 CO 0.00 0.14 -0.25 0.11 0.02 0.00 0.00 177.57 177.59 1wvk h LYS 63 N 0.75 0.00 0.08 1.57 6.56 -1.95 0.34 116.57 123.92 1wvk h LYS 63 Ca 0.33 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.64 1wvk h LYS 63 Cb 0.33 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.01 1wvk h LYS 63 CO -0.12 0.25 -1.17 0.00 -2.06 0.00 0.00 179.45 176.35 1wvk h ARG 65 N 0.27 1.00 -0.04 0.00 3.08 0.62 0.24 114.38 119.55 1wvk h ARG 65 Ca -0.16 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 59.73 1wvk h ARG 65 Cb 1.84 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.68 1wvk h ARG 65 CO 0.22 0.85 -0.32 0.93 -1.07 0.00 0.00 179.97 180.58 1wvk h GLU 66 N 0.97 -0.43 0.00 0.04 4.39 -0.41 0.20 114.58 119.34 1wvk h GLU 66 Ca 0.22 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1wvk h GLU 66 Cb 0.26 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1wvk h GLU 66 CO -0.01 -0.29 0.00 1.25 -1.16 0.00 0.00 179.01 178.80 1wvk h HIS 67 N -0.45 0.00 0.12 4.33 2.76 -1.47 -2.85 115.15 117.60 1wvk h HIS 67 Ca 0.07 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.95 1wvk h HIS 67 Cb 0.55 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.54 1wvk h HIS 67 CO -0.36 0.00 -1.21 0.00 -1.30 0.00 0.00 177.93 175.06 1wvk h ALA 68 N 2.24 -0.02 0.00 5.26 0.00 0.66 -2.92 119.26 124.48 1wvk h ALA 68 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1wvk h ALA 68 Cb 0.69 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wvk h ALA 68 CO 0.00 0.66 0.00 0.93 0.00 0.00 0.00 179.25 180.84 1wvk h GLU 69 N 0.23 0.00 0.00 0.00 5.08 -0.52 -0.56 114.58 118.81 1wvk h GLU 69 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1wvk h GLU 69 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1wvk h GLU 69 CO 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 1wvk h ALA 70 N 2.13 1.00 -3.00 3.43 0.00 -1.31 -3.45 119.26 118.06 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 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 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 -2.82 0.00 -4.26 0.00 4.76 -0.33 -5.06 118.16 110.44 1wvk n LYS 71 Ca 0.03 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.12 1wvk n LYS 71 Cb 0.39 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.53 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 -0.63 -1.52 0.02 2.13 1.44 -0.52 -4.91 115.22 111.23 1wvk n HIS 72 Ca 0.00 0.74 -0.12 0.00 -2.01 0.00 0.00 57.72 56.33 1wvk n HIS 72 Cb 0.00 -2.83 -0.09 0.00 0.12 0.00 0.00 29.99 27.19 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 -1.47 -0.12 -2.35 -1.40 0.11 -1.94 -3.45 132.00 121.38 1wvk h PRO 73 Ca -0.61 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.47 1wvk h PRO 73 Cb 1.39 0.03 -0.25 0.00 0.11 0.00 0.00 31.00 32.28 1wvk h PRO 73 CO 0.77 0.37 -0.26 0.21 -0.21 0.00 0.00 178.00 178.88 1wvk s LYS 74 N -3.72 0.43 -0.24 1.05 2.47 -1.26 -5.12 119.74 113.36 1wvk s LYS 74 Ca -0.15 1.14 -0.21 0.00 -1.56 0.00 0.00 55.97 55.19 1wvk s LYS 74 Cb 0.01 0.42 -0.02 0.00 -1.46 0.00 0.00 37.83 36.78 1wvk s LYS 74 CO 0.58 -0.22 0.65 0.00 0.16 0.00 0.00 175.35 176.52 1wvk s ALA 75 N 2.46 3.60 0.00 3.13 0.00 -1.26 -4.98 121.76 124.70 1wvk s ALA 75 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1wvk s ALA 75 Cb -0.11 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1wvk s ALA 75 CO -0.15 -0.76 0.00 -0.25 0.00 0.00 0.00 175.76 174.60 1wvk n ASP 76 N 5.59 0.00 0.03 0.00 9.92 -1.26 -4.12 116.55 126.71 1wvk n ASP 76 Ca -0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1wvk n ASP 76 Cb 0.49 0.00 0.31 0.00 -0.64 0.00 0.00 41.12 41.28 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 0.17 -0.11 2.53 0.24 -1.26 -2.77 118.33 117.13 1wvk n VAL 77 Ca 0.00 -0.11 0.09 0.00 -2.04 0.00 0.00 64.34 62.28 1wvk n VAL 77 Cb 0.00 -0.09 0.29 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.77 1.16 0.41 3.34 0.24 -1.26 -4.28 118.33 116.16 1wvk n VAL 78 Ca 0.05 -0.90 0.04 0.00 -2.04 0.00 0.00 64.34 61.48 1wvk n VAL 78 Cb 0.38 0.25 0.21 0.00 -1.47 0.00 0.00 33.84 33.21 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 1.14 1.63 0.17 2.33 0.00 -1.11 -1.01 120.51 123.66 1wvk n ALA 79 Ca 0.21 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.64 1wvk n ALA 79 Cb 0.64 -1.12 0.28 0.00 0.00 0.00 0.00 19.45 19.25 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 -3.74 -1.29 -2.00 0.00 5.36 -0.18 0.12 117.98 116.25 1wvk s PHE 81 Ca -0.01 0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.04 1wvk s PHE 81 Cb 0.12 0.07 0.05 0.00 -0.34 0.00 0.00 43.02 42.93 1wvk s PHE 81 CO 0.72 -1.09 0.27 -2.30 -1.46 0.00 0.00 175.22 171.37 1wvk n PRO 82 N 4.59 0.17 -0.27 10.12 -0.02 -1.21 -1.36 135.00 147.03 1wvk n PRO 82 Ca 0.09 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.68 1wvk n PRO 82 Cb 0.53 -1.08 0.25 0.00 -0.02 0.00 0.00 33.50 33.18 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 -0.58 0.70 -0.03 6.00 8.25 -1.26 -4.19 115.22 124.10 1wvk n HIS 83 Ca 0.01 -0.37 0.01 0.00 -0.26 0.00 0.00 57.72 57.11 1wvk n HIS 83 Cb 0.00 -0.00 0.04 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 1.48 2.17 -0.19 2.41 4.77 -0.46 -4.06 117.00 123.12 1wvk n LEU 84 Ca 0.21 -1.93 -0.00 0.00 -0.03 0.00 0.00 56.01 54.25 1wvk n LEU 84 Cb 0.60 -0.06 0.10 0.00 -2.33 0.00 0.00 43.42 41.73 1wvk n LEU 84 CO 0.15 0.54 0.94 0.50 -1.33 0.00 0.00 177.39 178.20 1wvk h LYS 85 N 0.53 0.30 0.00 3.23 1.63 -1.77 -3.50 116.57 116.99 1wvk h LYS 85 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1wvk h LYS 85 Cb 0.53 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1wvk h LYS 85 CO 0.00 0.20 0.00 1.17 -3.45 0.00 0.00 179.45 177.37