#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 3.83 0.33 1.61 4.02 -1.26 -5.05 115.29 118.77 1wvk s HIS 2 Ca 0.00 1.64 -0.02 0.00 1.02 0.00 0.00 55.06 57.70 1wvk s HIS 2 Cb 0.00 -2.78 -0.04 0.00 -1.02 0.00 0.00 32.58 28.74 1wvk s HIS 2 CO 0.00 0.42 0.56 -1.01 1.02 0.00 0.00 174.74 175.74 1wvk s HIS 3 N -1.31 3.50 -0.23 1.40 0.09 -1.26 -4.73 115.29 112.75 1wvk s HIS 3 Ca 0.40 0.49 -0.06 0.00 -0.00 0.00 0.00 55.06 55.89 1wvk s HIS 3 Cb -0.21 -2.00 0.01 0.00 -0.00 0.00 0.00 32.58 30.38 1wvk s HIS 3 CO 0.25 0.11 0.23 0.72 -0.00 0.00 0.00 174.74 176.05 1wvk n HIS 4 N -1.50 -2.21 -3.68 1.40 -0.00 -1.26 -5.08 115.22 102.90 1wvk n HIS 4 Ca -0.03 0.93 -0.15 0.00 -0.00 0.00 0.00 57.72 58.46 1wvk n HIS 4 Cb 0.55 -3.04 -0.15 0.00 -0.00 0.00 0.00 29.99 27.36 1wvk n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1wvk s HIS 5 N -1.61 -0.27 0.00 4.41 0.00 -1.26 -5.06 115.29 111.51 1wvk s HIS 5 Ca 0.10 0.73 0.00 0.00 -3.00 0.00 0.00 55.06 52.88 1wvk s HIS 5 Cb -0.03 -0.15 0.00 0.00 -4.00 0.00 0.00 32.58 28.40 1wvk s HIS 5 CO 0.46 -0.28 0.00 0.72 -1.00 0.00 0.00 174.74 174.64 1wvk n HIS 6 N 5.14 0.00 -4.07 0.38 -0.00 -1.26 -4.98 115.22 110.43 1wvk n HIS 6 Ca -0.09 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.35 1wvk n HIS 6 Cb 0.50 -0.78 -0.06 0.00 -0.00 0.00 0.00 29.99 29.66 1wvk n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1wvk s HIS 7 N -0.60 3.16 0.00 4.41 3.76 -1.26 -4.97 115.29 119.79 1wvk s HIS 7 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 1wvk s HIS 7 Cb 0.00 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.13 1wvk s HIS 7 CO 0.00 0.52 0.51 1.47 -0.85 0.00 0.00 174.74 176.39 1wvk n LEU 8 N 0.03 0.97 -4.40 0.89 -0.00 -1.26 -0.00 117.00 113.23 1wvk n LEU 8 Ca -0.08 -0.97 -0.33 0.00 -0.00 0.00 0.00 56.01 54.62 1wvk n LEU 8 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.81 1wvk n LEU 8 CO 0.44 0.24 -0.42 -0.70 -0.00 0.00 0.00 177.39 176.95 1wvk s GLU 9 N -0.18 3.46 0.00 1.47 -6.30 -1.26 -3.34 118.70 112.55 1wvk s GLU 9 Ca 0.00 -0.64 0.00 0.00 -2.50 0.00 0.00 54.97 51.83 1wvk s GLU 9 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 34.13 31.41 1wvk s GLU 9 CO 0.00 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.89 1wvk n GLY 10 N 3.58 2.56 3.69 -1.50 0.00 -1.26 -4.73 105.19 107.53 1wvk n GLY 10 Ca -0.18 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 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 0.33 0.00 -0.02 0.00 -1.26 -1.32 107.32 105.04 1wvk s GLY 11 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1wvk s GLY 11 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1wvk n GLY 12 N -0.42 0.75 0.66 0.20 0.00 -1.26 -5.01 105.19 100.11 1wvk n GLY 12 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1wvk n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wvk n ASN 13 N 0.00 -3.94 -1.05 1.61 3.02 -1.26 -4.87 115.26 108.76 1wvk n ASN 13 Ca 0.00 0.36 -0.00 0.00 -0.03 0.00 0.00 54.58 54.91 1wvk n ASN 13 Cb 0.00 -2.06 -0.01 0.00 -0.61 0.00 0.00 39.78 37.10 1wvk n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wvk n ALA 14 N -2.22 2.63 0.00 5.41 0.00 -1.26 -5.00 120.51 120.07 1wvk n ALA 14 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1wvk n ALA 14 Cb 0.30 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 0.21 0.00 -0.44 0.00 1.13 -1.26 -4.03 117.38 112.99 1wvk n GLN 15 Ca -0.05 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.02 1wvk n GLN 15 Cb 0.86 0.00 0.17 0.00 0.11 0.00 0.00 30.24 31.38 1wvk n GLN 15 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1wvk n LYS 16 N 0.00 2.60 0.00 -1.09 5.02 -1.26 -4.20 118.16 119.23 1wvk n LYS 16 Ca 0.00 -1.45 0.12 0.00 -2.02 0.00 0.00 58.31 54.97 1wvk n LYS 16 Cb 0.00 -1.80 0.67 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.19 0.00 -0.27 4.39 3.41 -1.26 -4.14 113.62 115.95 1wvk n SER 17 Ca 0.15 -0.33 0.06 0.00 -0.26 0.00 0.00 58.87 58.49 1wvk n SER 17 Cb 0.75 -0.18 0.16 0.00 -0.26 0.00 0.00 64.21 64.68 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 3.31 0.77 0.00 7.33 0.00 -1.95 -1.19 119.26 127.52 1wvk h ALA 18 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1wvk h ALA 18 Cb 0.14 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1wvk h ALA 18 CO 0.00 -0.44 0.00 -1.33 0.00 0.00 0.00 179.25 177.48 1wvk n MET 19 N -5.40 0.50 0.09 0.00 2.81 -1.26 -4.27 117.12 109.59 1wvk n MET 19 Ca 0.14 -0.83 0.04 0.00 -1.81 0.00 0.00 57.70 55.24 1wvk n MET 19 Cb 0.49 -0.96 -0.02 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.65 0.00 3.04 0.00 -1.56 -3.40 119.26 118.00 1wvk h ALA 20 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wvk h ALA 20 Cb 0.23 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1wvk h ALA 20 CO 0.00 0.58 -0.89 0.54 0.00 0.00 0.00 179.25 179.49 1wvk n ARG 21 N -2.94 0.47 0.00 0.00 5.12 -0.51 -4.81 116.66 113.98 1wvk n ARG 21 Ca -0.04 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1wvk n ARG 21 Cb 0.73 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wvk n ALA 22 N -4.32 0.00 -0.30 7.54 0.00 -1.26 -3.96 120.51 118.21 1wvk n ALA 22 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wvk n ALA 22 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1wvk n ALA 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wvk n LYS 23 N 0.00 0.00 -0.25 0.00 4.81 -1.26 -5.11 118.16 116.35 1wvk n LYS 23 Ca 0.00 0.03 0.03 0.00 -0.87 0.00 0.00 58.31 57.51 1wvk n LYS 23 Cb 0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 35.03 34.65 1wvk n LYS 23 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1wvk n ASN 24 N -2.14 -2.80 -4.69 3.14 6.94 1.00 -4.70 115.26 112.01 1wvk n ASN 24 Ca 0.00 0.27 -0.39 0.00 -0.02 0.00 0.00 54.58 54.44 1wvk n ASN 24 Cb 0.00 -0.88 -0.06 0.00 -2.36 0.00 0.00 39.78 36.48 1wvk n ASN 24 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1wvk s LEU 25 N 0.00 4.22 0.34 -4.53 2.96 -0.44 -4.62 118.68 116.60 1wvk s LEU 25 Ca 0.00 0.84 -0.07 0.00 -0.22 0.00 0.00 54.13 54.68 1wvk s LEU 25 Cb 0.00 -2.80 -0.06 0.00 0.50 0.00 0.00 46.19 43.83 1wvk s LEU 25 CO 0.00 -0.12 0.64 -1.83 -1.32 0.00 0.00 176.35 173.72 1wvk s GLU 26 N 1.19 3.68 0.00 1.98 -1.05 -1.26 -4.59 118.70 118.65 1wvk s GLU 26 Ca 0.28 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.28 1wvk s GLU 26 Cb -0.16 -2.55 0.00 0.00 -0.44 0.00 0.00 34.13 30.99 1wvk s GLU 26 CO 0.11 0.11 0.00 1.63 0.95 0.00 0.00 175.26 178.07 1wvk n LYS 27 N -1.10 0.00 -3.38 -4.83 5.02 -1.26 -5.11 118.16 107.49 1wvk n LYS 27 Ca -0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1wvk n LYS 27 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.54 1wvk n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wvk s ALA 28 N -2.31 4.27 -0.16 7.82 0.00 -1.26 -5.13 121.76 124.99 1wvk s ALA 28 Ca 0.00 -1.80 -0.26 0.00 0.00 0.00 0.00 51.96 49.89 1wvk s ALA 28 Cb 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 23.12 21.98 1wvk s ALA 28 CO 0.00 -0.30 0.67 -1.59 0.00 0.00 0.00 175.76 174.54 1wvk s LYS 29 N -4.24 0.90 0.18 0.00 0.00 -1.26 -5.18 119.74 110.14 1wvk s LYS 29 Ca 0.50 0.62 -0.13 0.00 0.00 0.00 0.00 55.97 56.97 1wvk s LYS 29 Cb -0.05 0.43 0.01 0.00 0.00 0.00 0.00 37.83 38.21 1wvk s LYS 29 CO 0.30 -0.20 0.39 0.00 0.00 0.00 0.00 175.35 175.84 1wvk s ALA 30 N -0.35 -0.39 -0.07 0.59 0.00 -1.26 -5.17 121.76 115.12 1wvk s ALA 30 Ca -0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1wvk s ALA 30 Cb -0.03 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1wvk s ALA 30 CO 0.05 -0.72 0.18 0.00 0.00 0.00 0.00 175.76 175.27 1wvk s ALA 31 N -3.93 -0.45 0.00 0.00 0.00 -1.26 -5.14 121.76 110.98 1wvk s ALA 31 Ca 0.14 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1wvk s ALA 31 Cb 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1wvk s ALA 31 CO -0.01 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1wvk n GLY 32 N 3.00 -0.58 2.68 0.00 0.00 -1.26 -5.12 105.19 103.92 1wvk n GLY 32 Ca -0.13 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.16 0.51 -0.20 1.61 1.02 -1.26 -4.99 119.74 116.26 1wvk s LYS 33 Ca 0.00 -0.60 -0.04 0.00 0.02 0.00 0.00 55.97 55.34 1wvk s LYS 33 Cb 0.00 -1.83 0.10 0.00 -0.52 0.00 0.00 37.83 35.58 1wvk s LYS 33 CO 0.00 -0.83 0.34 0.20 -0.92 0.00 0.00 175.35 174.14 1wvk s GLY 34 N 1.87 -0.27 0.29 -3.33 0.00 -1.26 -5.14 107.32 99.48 1wvk s GLY 34 Ca 0.05 0.96 -0.12 0.00 0.00 0.00 0.00 44.72 45.61 1wvk s GLY 34 CO -0.20 2.37 0.54 -0.56 0.00 0.00 0.00 173.10 175.25 1wvk s SER 35 N 2.50 0.10 -0.21 1.64 0.01 -1.26 -5.18 113.70 111.30 1wvk s SER 35 Ca 0.06 -1.03 -0.15 0.00 1.31 0.00 0.00 55.95 56.14 1wvk s SER 35 Cb -0.14 0.65 0.06 0.00 0.21 0.00 0.00 66.02 66.80 1wvk s SER 35 CO -0.13 -1.26 0.53 0.00 0.41 0.00 0.00 173.24 172.79 1wvk s GLN 36 N -3.61 0.57 0.00 12.44 -2.07 -1.26 -4.97 119.66 120.75 1wvk s GLN 36 Ca 0.22 0.87 0.00 0.00 -1.82 0.00 0.00 55.36 54.63 1wvk s GLN 36 Cb -0.02 0.16 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 1wvk s GLN 36 CO 0.11 -0.12 0.00 -0.11 -1.32 0.00 0.00 175.29 173.85 1wvk n LEU 37 N 3.62 0.00 -4.71 2.60 7.94 -1.26 -4.81 117.00 120.39 1wvk n LEU 37 Ca -0.18 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.32 1wvk n LEU 37 Cb 0.57 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.47 1wvk n LEU 37 CO 0.06 0.00 0.39 -0.70 -1.11 0.00 0.00 177.39 176.03 1wvk s GLU 38 N 0.00 4.39 -0.30 1.96 2.12 -1.26 -5.03 118.70 120.58 1wvk s GLU 38 Ca 0.00 0.81 -0.02 0.00 0.36 0.00 0.00 54.97 56.12 1wvk s GLU 38 Cb 0.00 -3.47 0.18 0.00 0.26 0.00 0.00 34.13 31.10 1wvk s GLU 38 CO 0.00 0.00 0.60 0.00 -0.54 0.00 0.00 175.26 175.32 1wvk s ALA 39 N 1.04 -2.23 -0.21 6.30 0.00 -1.26 -4.89 121.76 120.52 1wvk s ALA 39 Ca 0.35 1.87 0.15 0.00 0.00 0.00 0.00 51.96 54.34 1wvk s ALA 39 Cb -0.17 -2.13 0.59 0.00 0.00 0.00 0.00 23.12 21.40 1wvk s ALA 39 CO 0.16 -1.30 1.50 0.09 0.00 0.00 0.00 175.76 176.21 1wvk n ASN 40 N 5.43 4.11 -0.18 0.00 5.03 -1.26 -4.62 115.26 123.78 1wvk n ASN 40 Ca -0.02 -3.08 0.00 0.00 0.87 0.00 0.00 54.58 52.35 1wvk n ASN 40 Cb 0.51 -0.59 0.00 0.00 -1.02 0.00 0.00 39.78 38.68 1wvk n ASN 40 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1wvk n LYS 41 N -0.38 0.94 0.28 3.52 2.85 -1.26 -3.65 118.16 120.46 1wvk n LYS 41 Ca 0.25 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.68 1wvk n LYS 41 Cb 0.99 -1.16 0.72 0.00 -0.65 0.00 0.00 35.03 34.92 1wvk n LYS 41 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1wvk h LYS 42 N 0.02 0.00 -0.52 -1.58 1.79 -2.03 -2.08 116.57 112.16 1wvk h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wvk h LYS 42 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1wvk h LYS 42 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1wvk n ALA 43 N -2.07 2.66 -0.54 3.86 0.00 -1.24 -4.89 120.51 118.29 1wvk n ALA 43 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1wvk n ALA 43 Cb 0.28 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1wvk n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1wvk n MET 44 N 0.69 0.00 0.00 0.00 1.56 -0.78 -4.87 117.12 113.71 1wvk n MET 44 Ca 0.15 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.58 1wvk n MET 44 Cb 0.49 -2.63 0.00 0.00 2.15 0.00 0.00 33.22 33.23 1wvk n MET 44 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1wvk n SER 45 N 0.00 0.00 -4.03 6.12 3.41 -1.26 -4.38 113.62 113.48 1wvk n SER 45 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1wvk n SER 45 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 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 1.28 -0.17 -1.33 1.01 -0.83 -4.87 121.20 116.29 1wvk s ILE 46 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 1wvk s ILE 46 Cb 0.00 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 1wvk s ILE 46 CO 0.00 0.39 0.15 -1.58 0.00 0.00 0.00 174.94 173.91 1wvk s GLN 47 N 0.90 3.95 0.12 2.79 0.74 -1.25 -0.27 119.66 126.64 1wvk s GLN 47 Ca -0.09 -0.15 -0.30 0.00 0.05 0.00 0.00 55.36 54.86 1wvk s GLN 47 Cb -0.15 -3.34 -0.07 0.00 1.10 0.00 0.00 33.01 30.55 1wvk s GLN 47 CO 0.01 0.45 1.24 0.00 -0.55 0.00 0.00 175.29 176.44 1wvk h LYS 49 N 6.26 0.00 0.00 0.00 3.64 -0.43 -2.53 116.57 123.51 1wvk h LYS 49 Ca -0.43 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 1wvk h LYS 49 Cb 1.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1wvk h LYS 49 CO 0.80 0.00 -0.14 -0.39 -2.27 0.00 0.00 179.45 177.45 1wvk h VAL 50 N 0.00 0.88 0.00 2.00 -1.51 -1.88 -3.45 116.25 112.29 1wvk h VAL 50 Ca 0.32 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1wvk h VAL 50 Cb 1.32 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1wvk h VAL 50 CO -0.00 0.14 0.00 0.00 -1.23 0.00 0.00 177.57 176.47 1wvk n MET 52 N -1.04 0.57 -1.31 0.00 1.56 -1.15 -4.90 117.12 110.86 1wvk n MET 52 Ca 0.00 -0.51 -0.08 0.00 -0.27 0.00 0.00 57.70 56.84 1wvk n MET 52 Cb 0.00 0.19 0.04 0.00 2.15 0.00 0.00 33.22 35.60 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 -0.65 0.37 -4.13 2.12 1.13 -1.24 -4.74 117.38 110.24 1wvk n GLN 53 Ca -0.08 -0.96 -0.09 0.00 -1.94 0.00 0.00 57.00 53.94 1wvk n GLN 53 Cb 0.66 -0.23 -0.10 0.00 0.11 0.00 0.00 30.24 30.68 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 -0.92 0.27 0.01 5.09 -1.32 -1.26 0.17 115.64 117.69 1wvk s THR 54 Ca 0.23 -1.86 -0.02 0.00 -1.21 0.00 0.00 61.69 58.83 1wvk s THR 54 Cb -0.01 -1.73 -0.01 0.00 -1.51 0.00 0.00 72.50 69.24 1wvk s THR 54 CO 0.15 -0.80 0.01 -0.36 -2.21 0.00 0.00 174.62 171.42 1wvk s PHE 55 N -3.91 0.17 0.23 9.09 0.08 0.63 -4.83 117.98 119.46 1wvk s PHE 55 Ca 0.14 -0.36 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 1wvk s PHE 55 Cb 0.07 -0.13 -0.09 0.00 -0.57 0.00 0.00 43.02 42.30 1wvk s PHE 55 CO -0.05 -0.19 1.26 -1.50 -0.10 0.00 0.00 175.22 174.64 1wvk s ILE 56 N -1.24 3.23 -1.33 0.64 1.10 -1.26 -1.97 121.20 120.36 1wvk s ILE 56 Ca -0.14 1.08 -0.16 0.00 -0.51 0.00 0.00 60.65 60.93 1wvk s ILE 56 Cb -0.08 -3.69 0.08 0.00 0.15 0.00 0.00 42.46 38.92 1wvk s ILE 56 CO -0.00 0.20 1.85 0.00 -2.11 0.00 0.00 174.94 174.87 1wvk n THR 58 N 5.65 1.42 -4.11 0.00 -1.04 -1.26 -4.71 114.28 110.24 1wvk n THR 58 Ca 0.48 0.36 -0.12 0.00 -2.04 0.00 0.00 64.05 62.72 1wvk n THR 58 Cb 0.43 -1.27 -0.07 0.00 -1.82 0.00 0.00 70.33 67.61 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 -2.86 0.00 -1.42 12.58 2.01 -1.26 -5.02 115.64 119.67 1wvk s THR 59 Ca 0.03 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.34 1wvk s THR 59 Cb 0.03 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 70.11 1wvk s THR 59 CO 0.09 0.00 0.51 -1.20 -0.69 0.00 0.00 174.62 173.33 1wvk n SER 60 N -0.71 0.42 0.00 3.53 7.64 -1.26 -4.86 113.62 118.38 1wvk n SER 60 Ca 0.01 -1.45 0.00 0.00 1.01 0.00 0.00 58.87 58.44 1wvk n SER 60 Cb 0.63 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.26 1.43 2.13 -1.26 -4.13 120.64 118.94 1wvk n GLU 61 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 1wvk n GLU 61 Cb 0.11 0.00 0.70 0.00 0.27 0.00 0.00 31.44 32.51 1wvk n GLU 61 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1wvk h VAL 62 N 0.00 0.86 -0.51 6.31 3.04 -1.97 1.00 116.25 124.98 1wvk h VAL 62 Ca 0.00 -0.16 -0.08 0.00 -1.01 0.00 0.00 66.70 65.45 1wvk h VAL 62 Cb 0.00 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.35 1wvk h VAL 62 CO 0.00 0.04 0.00 0.50 -1.01 0.00 0.00 177.57 177.10 1wvk h LYS 63 N 0.00 0.89 -0.22 4.17 3.11 -1.95 0.00 116.57 122.58 1wvk h LYS 63 Ca -0.00 -0.29 -0.08 0.00 -2.81 0.00 0.00 60.65 57.48 1wvk h LYS 63 Cb 0.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1wvk h LYS 63 CO 0.01 0.92 -0.20 0.00 -2.81 0.00 0.00 179.45 177.37 1wvk h ARG 65 N 0.35 0.94 -0.16 0.00 3.08 0.50 -0.24 114.38 118.85 1wvk h ARG 65 Ca 0.06 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1wvk h ARG 65 Cb 0.55 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1wvk h ARG 65 CO 0.04 0.73 -0.06 0.93 -1.07 0.00 0.00 179.97 180.54 1wvk h GLU 66 N 0.93 -0.03 -0.10 0.04 5.08 -0.49 0.39 114.58 120.41 1wvk h GLU 66 Ca 0.23 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1wvk h GLU 66 Cb 0.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wvk h GLU 66 CO -0.03 -0.02 -0.38 1.25 -1.00 0.00 0.00 179.01 178.83 1wvk h HIS 67 N -0.03 0.25 0.03 4.33 2.76 -1.44 -3.00 115.15 118.04 1wvk h HIS 67 Ca 0.08 -0.06 -0.15 0.00 -2.20 0.00 0.00 60.37 58.04 1wvk h HIS 67 Cb 0.15 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.07 1wvk h HIS 67 CO -0.20 0.57 -0.61 0.00 -1.30 0.00 0.00 177.93 176.38 1wvk h ALA 68 N 1.43 0.03 -0.21 5.26 0.00 0.05 -2.64 119.26 123.18 1wvk h ALA 68 Ca 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1wvk h ALA 68 Cb 0.76 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1wvk h ALA 68 CO 0.06 0.33 -0.05 0.93 0.00 0.00 0.00 179.25 180.52 1wvk h GLU 69 N -0.21 0.32 -0.26 0.00 4.39 -0.30 0.19 114.58 118.71 1wvk h GLU 69 Ca -0.09 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1wvk h GLU 69 Cb 1.36 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1wvk h GLU 69 CO 0.12 0.39 0.00 0.00 -1.16 0.00 0.00 179.01 178.36 1wvk n ALA 70 N -2.49 2.48 -1.00 3.43 0.00 -1.14 -4.72 120.51 117.07 1wvk n ALA 70 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1wvk n ALA 70 Cb 0.23 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.37 0.00 -4.02 0.00 4.76 -0.22 -5.05 118.16 114.00 1wvk n LYS 71 Ca 0.13 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.17 1wvk n LYS 71 Cb 0.29 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.48 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 -0.44 -1.50 -0.23 2.13 1.44 0.51 -4.87 115.22 112.26 1wvk n HIS 72 Ca 0.00 0.27 0.11 0.00 -2.01 0.00 0.00 57.72 56.09 1wvk n HIS 72 Cb 0.00 -3.00 0.39 0.00 0.12 0.00 0.00 29.99 27.50 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 -2.32 0.65 0.00 -1.40 0.11 -1.88 -3.43 132.00 123.73 1wvk h PRO 73 Ca -0.69 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1wvk h PRO 73 Cb 1.39 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wvk h PRO 73 CO 0.54 0.43 0.00 0.36 -0.21 0.00 0.00 178.00 179.12 1wvk n LYS 74 N -4.53 0.00 -1.33 1.05 2.85 -1.26 -5.12 118.16 109.82 1wvk n LYS 74 Ca 0.15 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.41 1wvk n LYS 74 Cb 0.42 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.80 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 -0.96 -2.85 -1.37 0.58 0.00 -1.26 -4.94 120.51 109.70 1wvk n ALA 75 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1wvk n ALA 75 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1wvk n ALA 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wvk n ASP 76 N 0.37 0.00 -0.07 0.00 9.92 -1.26 -4.23 116.55 121.27 1wvk n ASP 76 Ca -0.01 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.38 1wvk n ASP 76 Cb 0.02 0.00 0.45 0.00 -0.64 0.00 0.00 41.12 40.95 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 0.00 0.39 2.53 0.24 -1.26 -3.14 118.33 117.10 1wvk n VAL 77 Ca 0.00 -0.04 0.05 0.00 -2.04 0.00 0.00 64.34 62.31 1wvk n VAL 77 Cb 0.00 0.02 0.20 0.00 -1.47 0.00 0.00 33.84 32.58 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 -1.20 0.96 1.14 3.34 0.24 -1.26 -4.02 118.33 117.52 1wvk n VAL 78 Ca 0.10 -0.63 0.08 0.00 -2.04 0.00 0.00 64.34 61.84 1wvk n VAL 78 Cb 0.32 -0.02 0.48 0.00 -1.47 0.00 0.00 33.84 33.16 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 0.53 2.16 0.21 2.33 0.00 -1.19 -1.24 120.51 123.32 1wvk n ALA 79 Ca 0.14 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1wvk n ALA 79 Cb 0.53 -1.26 0.32 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.37 -1.47 -2.00 0.00 5.36 -0.37 0.32 117.98 116.46 1wvk s PHE 81 Ca 0.03 0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.16 1wvk s PHE 81 Cb 0.08 0.17 0.10 0.00 -0.34 0.00 0.00 43.02 43.02 1wvk s PHE 81 CO 0.65 -1.13 0.38 -2.30 -1.46 0.00 0.00 175.22 171.37 1wvk n PRO 82 N 4.51 0.10 -0.36 10.12 -0.02 -1.21 -1.02 135.00 147.12 1wvk n PRO 82 Ca 0.10 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.70 1wvk n PRO 82 Cb 0.54 -1.24 0.32 0.00 -0.02 0.00 0.00 33.50 33.10 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 -0.74 0.96 0.35 6.00 8.25 -1.26 -3.99 115.22 124.78 1wvk n HIS 83 Ca 0.01 -0.50 0.05 0.00 -0.26 0.00 0.00 57.72 57.02 1wvk n HIS 83 Cb 0.01 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.17 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 1.60 2.01 -4.81 2.41 4.77 -0.19 -4.08 117.00 118.71 1wvk n LEU 84 Ca 0.24 -1.14 -0.32 0.00 -0.03 0.00 0.00 56.01 54.76 1wvk n LEU 84 Cb 0.61 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1wvk n LEU 84 CO 0.16 0.41 0.71 -0.75 -1.33 0.00 0.00 177.39 176.59 1wvk s LYS 85 N -0.89 3.10 0.00 3.23 2.36 -1.26 -5.05 119.74 121.24 1wvk s LYS 85 Ca 0.14 1.07 0.00 0.00 -2.55 0.00 0.00 55.97 54.63 1wvk s LYS 85 Cb 0.09 -2.01 0.00 0.00 -1.05 0.00 0.00 37.83 34.86 1wvk s LYS 85 CO 0.13 -0.97 0.28 0.36 1.55 0.00 0.00 175.35 176.70