#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 -1.74 -4.25 1.61 -0.00 -1.26 -5.03 115.22 104.55 1wvk n HIS 2 Ca 0.00 0.94 0.00 0.00 -0.00 0.00 0.00 57.72 58.66 1wvk n HIS 2 Cb 0.00 -2.37 0.00 0.00 -0.00 0.00 0.00 29.99 27.62 1wvk n HIS 2 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1wvk n HIS 3 N 0.07 -1.05 -2.84 4.41 -0.00 -1.26 -4.94 115.22 109.60 1wvk n HIS 3 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 1wvk n HIS 3 Cb 0.00 0.07 0.02 0.00 -0.00 0.00 0.00 29.99 30.08 1wvk n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1wvk s HIS 4 N 0.00 3.06 0.21 4.41 4.02 -1.26 -5.01 115.29 120.72 1wvk s HIS 4 Ca 0.00 0.11 0.13 0.00 1.02 0.00 0.00 55.06 56.32 1wvk s HIS 4 Cb 0.00 -2.50 0.38 0.00 -1.02 0.00 0.00 32.58 29.44 1wvk s HIS 4 CO 0.00 -0.58 1.61 0.45 1.02 0.00 0.00 174.74 177.24 1wvk h HIS 5 N 0.27 0.00 -3.48 1.40 3.86 -2.01 -3.43 115.15 111.76 1wvk h HIS 5 Ca -0.44 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.15 1wvk h HIS 5 Cb 1.27 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.41 1wvk h HIS 5 CO 0.42 0.58 -0.86 -1.01 0.86 0.00 0.00 177.93 177.92 1wvk s HIS 6 N -3.49 2.14 -0.08 2.45 4.02 -1.26 -5.10 115.29 113.97 1wvk s HIS 6 Ca -0.00 -0.81 -0.01 0.00 1.02 0.00 0.00 55.06 55.25 1wvk s HIS 6 Cb 0.12 -1.46 0.03 0.00 -1.02 0.00 0.00 32.58 30.25 1wvk s HIS 6 CO 0.75 -0.34 -0.01 -1.58 1.02 0.00 0.00 174.74 174.58 1wvk s HIS 7 N 0.36 0.78 0.00 1.40 2.46 -1.26 -4.88 115.29 114.15 1wvk s HIS 7 Ca -0.15 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.13 1wvk s HIS 7 Cb -0.16 -0.86 0.00 0.00 -0.13 0.00 0.00 32.58 31.43 1wvk s HIS 7 CO 0.06 -0.36 0.00 -0.11 -2.47 0.00 0.00 174.74 171.87 1wvk n LEU 8 N 5.12 0.00 -0.57 8.88 0.00 -1.26 -4.37 117.00 124.81 1wvk n LEU 8 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.93 1wvk n LEU 8 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 1wvk n LEU 8 CO 0.11 0.00 0.22 -1.84 0.00 0.00 0.00 177.39 175.88 1wvk n GLU 9 N 0.00 0.78 -0.01 1.96 0.28 -1.26 -3.07 120.64 119.32 1wvk n GLU 9 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1wvk n GLU 9 Cb 0.00 -1.35 -0.01 0.00 1.43 0.00 0.00 31.44 31.51 1wvk n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wvk n GLY 10 N 0.18 -0.03 7.00 -1.84 0.00 -1.26 -5.10 105.19 104.13 1wvk n GLY 10 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.38 0.57 1.78 -0.02 0.00 -1.17 -4.98 105.19 104.74 1wvk n GLY 11 Ca -0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.32 3.56 -0.02 0.00 -1.26 -4.94 105.19 102.85 1wvk n GLY 12 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1wvk n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wvk s ASN 13 N -2.84 6.28 -0.34 1.61 2.47 -1.26 -4.92 114.94 115.94 1wvk s ASN 13 Ca 0.06 -0.21 -0.00 0.00 0.42 0.00 0.00 52.86 53.12 1wvk s ASN 13 Cb -0.01 -2.56 0.14 0.00 -1.45 0.00 0.00 41.25 37.37 1wvk s ASN 13 CO 0.12 -1.69 0.23 0.00 -3.72 0.00 0.00 177.10 172.04 1wvk s ALA 14 N 5.41 0.64 0.40 1.71 0.00 -1.26 -5.09 121.76 123.57 1wvk s ALA 14 Ca 0.38 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1wvk s ALA 14 Cb -0.08 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1wvk s ALA 14 CO 0.19 -2.05 0.00 1.04 0.00 0.00 0.00 175.76 174.95 1wvk n GLN 15 N 4.26 -2.55 -1.91 0.00 6.02 -1.26 -4.85 117.38 117.09 1wvk n GLN 15 Ca 0.09 1.92 -0.20 0.00 -0.01 0.00 0.00 57.00 58.80 1wvk n GLN 15 Cb 0.39 -3.03 -0.06 0.00 1.02 0.00 0.00 30.24 28.56 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 -3.96 -1.50 0.00 -1.09 4.01 -1.26 -4.81 118.16 109.55 1wvk n LYS 16 Ca -0.04 1.12 0.04 0.00 -0.51 0.00 0.00 58.31 58.93 1wvk n LYS 16 Cb 0.55 -5.59 0.22 0.00 -0.51 0.00 0.00 35.03 29.69 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 -1.53 0.00 -0.04 4.39 7.64 -1.26 -0.89 113.62 121.94 1wvk n SER 17 Ca -0.22 -0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.63 1wvk n SER 17 Cb 0.67 -0.17 0.21 0.00 -1.01 0.00 0.00 64.21 63.91 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 2.43 1.17 0.00 -0.43 0.00 -2.02 -3.33 119.26 117.09 1wvk h ALA 18 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wvk h ALA 18 Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wvk h ALA 18 CO 0.00 0.53 -0.62 -1.33 0.00 0.00 0.00 179.25 177.82 1wvk n MET 19 N -4.20 2.15 0.00 0.00 2.81 -0.65 -4.74 117.12 112.49 1wvk n MET 19 Ca 0.01 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.98 1wvk n MET 19 Cb 0.32 -0.80 0.37 0.00 -0.71 0.00 0.00 33.22 32.41 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 -1.00 1.81 0.21 3.04 0.00 -0.07 -1.62 120.51 122.89 1wvk n ALA 20 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1wvk n ALA 20 Cb 0.00 -1.26 -0.16 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.40 0.52 -2.58 0.00 1.74 -1.25 -4.63 116.66 109.06 1wvk n ARG 21 Ca 0.06 -0.16 -0.41 0.00 -0.77 0.00 0.00 57.85 56.57 1wvk n ARG 21 Cb 0.16 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 1wvk n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wvk s ALA 22 N -3.40 3.31 0.00 7.54 0.00 -0.64 -3.52 121.76 125.05 1wvk s ALA 22 Ca -0.04 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1wvk s ALA 22 Cb 0.14 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1wvk s ALA 22 CO 0.90 -0.22 0.00 1.17 0.00 0.00 0.00 175.76 177.61 1wvk n LYS 23 N 3.08 0.00 0.00 0.00 4.81 -1.26 -4.73 118.16 120.06 1wvk n LYS 23 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1wvk n LYS 23 Cb 0.48 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 35.22 1wvk n LYS 23 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1wvk n ASN 24 N 1.04 0.00 0.00 3.14 5.15 -1.24 -4.87 115.26 118.48 1wvk n ASN 24 Ca 0.00 0.76 0.00 0.00 -0.60 0.00 0.00 54.58 54.74 1wvk n ASN 24 Cb 0.00 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.99 1wvk n ASN 24 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1wvk n LEU 25 N -1.39 0.00 -4.47 1.20 4.77 -1.23 -4.67 117.00 111.21 1wvk n LEU 25 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1wvk n LEU 25 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1wvk n LEU 25 CO 0.00 0.00 -0.21 -1.61 -1.33 0.00 0.00 177.39 174.24 1wvk s GLU 26 N 0.00 3.53 -0.77 3.23 2.02 -1.25 -5.02 118.70 120.43 1wvk s GLU 26 Ca 0.00 -0.59 -0.24 0.00 0.02 0.00 0.00 54.97 54.16 1wvk s GLU 26 Cb 0.00 -3.54 0.05 0.00 0.10 0.00 0.00 34.13 30.75 1wvk s GLU 26 CO 0.00 -0.32 1.19 0.15 0.02 0.00 0.00 175.26 176.30 1wvk s LYS 27 N 1.65 3.25 -0.23 1.61 3.01 -1.26 -4.58 119.74 123.19 1wvk s LYS 27 Ca 0.06 -0.68 -0.29 0.00 -1.01 0.00 0.00 55.97 54.04 1wvk s LYS 27 Cb -0.16 -4.42 -0.00 0.00 -1.01 0.00 0.00 37.83 32.23 1wvk s LYS 27 CO 0.07 -2.02 1.24 0.00 0.51 0.00 0.00 175.35 175.15 1wvk s ALA 28 N 4.84 3.56 -0.02 5.17 0.00 -1.26 -5.01 121.76 129.04 1wvk s ALA 28 Ca 0.32 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1wvk s ALA 28 Cb -0.10 -3.67 0.02 0.00 0.00 0.00 0.00 23.12 19.37 1wvk s ALA 28 CO 0.08 -1.38 -0.01 0.15 0.00 0.00 0.00 175.76 174.60 1wvk s LYS 29 N 3.70 0.28 0.00 0.00 1.02 -1.26 -5.03 119.74 118.46 1wvk s LYS 29 Ca 0.54 0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.53 1wvk s LYS 29 Cb -0.19 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.74 1wvk s LYS 29 CO 0.17 -0.06 0.62 0.00 -0.92 0.00 0.00 175.35 175.16 1wvk n ALA 30 N 3.69 1.30 -3.57 5.17 0.00 -1.26 -5.00 120.51 120.85 1wvk n ALA 30 Ca -0.21 -0.62 -0.40 0.00 0.00 0.00 0.00 53.44 52.20 1wvk n ALA 30 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 1wvk n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvk s ALA 31 N -0.31 3.36 0.00 0.00 0.00 -1.26 -4.94 121.76 118.61 1wvk s ALA 31 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.44 1wvk s ALA 31 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1wvk s ALA 31 CO 0.00 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.28 1wvk n GLY 32 N 4.87 -0.24 1.54 0.00 0.00 -1.26 -4.75 105.19 105.35 1wvk n GLY 32 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1wvk n GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wvk n LYS 33 N -0.67 2.32 -2.49 1.61 2.85 -1.26 -4.85 118.16 115.66 1wvk n LYS 33 Ca 0.00 -1.75 -0.41 0.00 -1.05 0.00 0.00 58.31 55.10 1wvk n LYS 33 Cb 0.00 -1.78 -0.03 0.00 -0.65 0.00 0.00 35.03 32.57 1wvk n LYS 33 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1wvk s GLY 34 N -0.36 0.81 0.15 2.58 0.00 -1.26 -4.86 107.32 104.38 1wvk s GLY 34 Ca 0.32 -1.26 -0.15 0.00 0.00 0.00 0.00 44.72 43.62 1wvk s GLY 34 CO 0.07 2.74 1.77 1.48 0.00 0.00 0.00 173.10 179.16 1wvk h SER 35 N 10.59 0.54 -0.44 1.64 4.64 -1.98 -3.43 113.55 125.12 1wvk h SER 35 Ca -0.28 -0.08 0.19 0.00 -0.47 0.00 0.00 61.79 61.16 1wvk h SER 35 Cb 1.06 -0.14 -0.20 0.00 -0.31 0.00 0.00 62.40 62.81 1wvk h SER 35 CO 1.27 0.46 -0.02 -1.58 -0.87 0.00 0.00 176.83 176.09 1wvk s GLN 36 N -5.91 0.25 0.00 4.77 -0.44 -1.26 -5.03 119.66 112.03 1wvk s GLN 36 Ca -0.13 0.35 0.00 0.00 -2.50 0.00 0.00 55.36 53.08 1wvk s GLN 36 Cb 0.11 0.18 0.00 0.00 -1.64 0.00 0.00 33.01 31.66 1wvk s GLN 36 CO 0.74 -0.36 0.00 -0.11 0.50 0.00 0.00 175.29 176.06 1wvk n LEU 37 N 5.33 0.00 -3.00 3.68 7.94 -1.26 -4.83 117.00 124.87 1wvk n LEU 37 Ca 0.01 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.79 1wvk n LEU 37 Cb 0.55 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.51 1wvk n LEU 37 CO -0.11 0.00 -0.21 -0.62 -1.11 0.00 0.00 177.39 175.34 1wvk n GLU 38 N 0.00 -2.33 -2.46 1.96 -0.58 -1.26 -4.90 120.64 111.07 1wvk n GLU 38 Ca 0.00 1.99 -0.42 0.00 -0.42 0.00 0.00 57.16 58.31 1wvk n GLU 38 Cb 0.00 -4.33 -0.03 0.00 -0.57 0.00 0.00 31.44 26.51 1wvk n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wvk s ALA 39 N -1.96 3.51 0.13 0.62 0.00 -1.26 -4.85 121.76 117.95 1wvk s ALA 39 Ca 0.19 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1wvk s ALA 39 Cb -0.04 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1wvk s ALA 39 CO 0.71 -0.81 0.00 0.09 0.00 0.00 0.00 175.76 175.76 1wvk n ASN 40 N 5.36 -5.54 0.00 0.00 5.03 -1.26 -4.88 115.26 113.97 1wvk n ASN 40 Ca 0.11 0.60 0.00 0.00 0.87 0.00 0.00 54.58 56.16 1wvk n ASN 40 Cb 0.46 -1.69 0.00 0.00 -1.02 0.00 0.00 39.78 37.53 1wvk n ASN 40 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1wvk n LYS 41 N -2.50 -0.54 -0.28 3.52 4.76 -1.26 -4.78 118.16 117.07 1wvk n LYS 41 Ca 0.00 0.14 0.08 0.00 -2.87 0.00 0.00 58.31 55.66 1wvk n LYS 41 Cb 0.25 -3.89 0.22 0.00 -1.84 0.00 0.00 35.03 29.77 1wvk n LYS 41 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wvk n LYS 42 N -1.39 2.26 -0.33 1.97 4.81 -1.26 -3.72 118.16 120.51 1wvk n LYS 42 Ca 0.00 -1.80 0.11 0.00 -0.87 0.00 0.00 58.31 55.75 1wvk n LYS 42 Cb 0.14 -1.44 0.30 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 0.90 2.39 -2.80 3.14 0.00 -1.26 -4.96 120.51 117.92 1wvk n ALA 43 Ca 0.17 -1.19 -0.03 0.00 0.00 0.00 0.00 53.44 52.39 1wvk n ALA 43 Cb 0.45 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 1.52 -1.61 0.15 0.00 2.81 -1.24 -4.96 117.12 113.78 1wvk n MET 44 Ca 0.23 1.64 -0.16 0.00 -1.81 0.00 0.00 57.70 57.60 1wvk n MET 44 Cb 0.58 -5.27 -0.09 0.00 -0.71 0.00 0.00 33.22 27.74 1wvk n MET 44 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1wvk h SER 45 N 1.03 -1.45 -3.37 7.83 0.02 -1.75 -3.42 113.55 112.44 1wvk h SER 45 Ca 0.00 0.15 -0.53 0.00 -0.84 0.00 0.00 61.79 60.56 1wvk h SER 45 Cb 0.95 0.53 -0.34 0.00 0.14 0.00 0.00 62.40 63.68 1wvk h SER 45 CO 0.23 -0.56 -0.82 -0.63 -1.14 0.00 0.00 176.83 173.91 1wvk s ILE 46 N -5.84 1.22 -0.24 3.27 1.01 -0.72 -4.75 121.20 115.15 1wvk s ILE 46 Ca -0.17 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 1wvk s ILE 46 Cb 0.06 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1wvk s ILE 46 CO 0.62 0.38 0.16 -1.58 0.00 0.00 0.00 174.94 174.51 1wvk s GLN 47 N 0.79 4.06 0.07 2.79 2.00 -1.25 -0.12 119.66 128.00 1wvk s GLN 47 Ca -0.12 -0.28 -0.31 0.00 -2.00 0.00 0.00 55.36 52.66 1wvk s GLN 47 Cb -0.15 -3.54 -0.10 0.00 0.80 0.00 0.00 33.01 30.02 1wvk s GLN 47 CO 0.02 0.04 1.91 0.00 -0.50 0.00 0.00 175.29 176.77 1wvk h LYS 49 N 9.62 0.14 0.00 0.00 3.11 -1.41 -1.70 116.57 126.32 1wvk h LYS 49 Ca -0.48 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.32 1wvk h LYS 49 Cb 1.23 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1wvk h LYS 49 CO 0.94 0.09 -0.15 -0.39 -2.81 0.00 0.00 179.45 177.13 1wvk h VAL 50 N 0.14 0.93 0.00 2.00 -1.51 -1.86 -3.44 116.25 112.51 1wvk h VAL 50 Ca 0.41 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1wvk h VAL 50 Cb 1.40 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1wvk h VAL 50 CO -0.06 0.15 0.00 0.00 -1.23 0.00 0.00 177.57 176.43 1wvk n MET 52 N -1.32 0.08 -2.60 0.00 1.56 -1.03 -4.90 117.12 108.91 1wvk n MET 52 Ca 0.00 -0.10 -0.24 0.00 -0.27 0.00 0.00 57.70 57.09 1wvk n MET 52 Cb 0.00 0.20 0.12 0.00 2.15 0.00 0.00 33.22 35.68 1wvk n MET 52 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1wvk s GLN 53 N 0.01 1.59 0.00 2.12 -1.52 -1.25 -4.68 119.66 115.93 1wvk s GLN 53 Ca 0.01 -1.17 0.05 0.00 -1.95 0.00 0.00 55.36 52.29 1wvk s GLN 53 Cb 0.03 -2.32 -0.01 0.00 -0.22 0.00 0.00 33.01 30.48 1wvk s GLN 53 CO -0.01 -1.52 -0.16 0.99 -0.25 0.00 0.00 175.29 174.34 1wvk s THR 54 N -3.17 1.25 0.38 -0.19 2.01 -1.26 0.10 115.64 114.76 1wvk s THR 54 Ca 0.67 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.95 1wvk s THR 54 Cb -0.05 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 1wvk s THR 54 CO 0.45 0.28 0.06 -0.36 -0.69 0.00 0.00 174.62 174.36 1wvk s PHE 55 N -0.48 2.01 -0.14 4.92 0.40 0.82 -4.91 117.98 120.60 1wvk s PHE 55 Ca 0.05 -0.98 -0.13 0.00 -0.60 0.00 0.00 56.93 55.28 1wvk s PHE 55 Cb -0.07 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 42.04 1wvk s PHE 55 CO -0.00 0.04 0.27 -1.50 0.70 0.00 0.00 175.22 174.74 1wvk s ILE 56 N -3.14 5.31 -0.89 0.64 -1.16 -1.26 -1.75 121.20 118.95 1wvk s ILE 56 Ca 0.30 0.51 -0.09 0.00 -0.51 0.00 0.00 60.65 60.87 1wvk s ILE 56 Cb 0.07 -3.60 0.23 0.00 0.61 0.00 0.00 42.46 39.77 1wvk s ILE 56 CO 0.14 0.44 0.82 0.00 -2.81 0.00 0.00 174.94 173.53 1wvk n THR 58 N 3.24 0.00 -2.72 0.00 5.66 -1.26 -4.69 114.28 114.50 1wvk n THR 58 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 1wvk n THR 58 Cb 0.42 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.28 1wvk n THR 58 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1wvk n THR 59 N -0.82 0.00 -3.00 1.09 5.66 -1.26 -5.13 114.28 110.82 1wvk n THR 59 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 1wvk n THR 59 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1wvk n THR 59 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1wvk s SER 60 N 0.41 7.21 0.57 1.09 0.15 -1.26 -4.93 113.70 116.94 1wvk s SER 60 Ca 0.00 1.45 0.27 0.00 0.70 0.00 0.00 55.95 58.37 1wvk s SER 60 Cb 0.00 -2.46 1.56 0.00 -1.71 0.00 0.00 66.02 63.41 1wvk s SER 60 CO 0.00 0.05 2.08 -0.08 1.20 0.00 0.00 173.24 176.49 1wvk h GLU 61 N 5.47 0.00 -0.02 5.44 4.81 -1.95 0.55 114.58 128.87 1wvk h GLU 61 Ca -0.45 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 1wvk h GLU 61 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1wvk h GLU 61 CO 0.70 0.00 -0.35 0.28 -0.73 0.00 0.00 179.01 178.91 1wvk h VAL 62 N 0.00 1.26 -0.08 0.32 2.07 -1.95 0.48 116.25 118.34 1wvk h VAL 62 Ca 0.11 -1.22 -0.15 0.00 0.82 0.00 0.00 66.70 66.27 1wvk h VAL 62 Cb 0.57 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1wvk h VAL 62 CO -0.00 0.35 -0.60 0.50 0.02 0.00 0.00 177.57 177.84 1wvk h LYS 63 N 0.03 0.27 -0.39 1.57 3.11 -1.28 -1.32 116.57 118.56 1wvk h LYS 63 Ca 0.00 -0.19 -0.14 0.00 -2.81 0.00 0.00 60.65 57.52 1wvk h LYS 63 Cb 0.63 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 1wvk h LYS 63 CO 0.05 0.79 -0.29 0.00 -2.81 0.00 0.00 179.45 177.18 1wvk h ARG 65 N 0.69 -0.09 -0.34 0.00 3.08 0.67 0.34 114.38 118.73 1wvk h ARG 65 Ca 0.07 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1wvk h ARG 65 Cb 0.87 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1wvk h ARG 65 CO 0.08 -0.04 0.08 1.05 -1.07 0.00 0.00 179.97 180.07 1wvk h GLU 66 N -0.11 0.49 -0.01 0.04 4.11 -1.36 0.30 114.58 118.04 1wvk h GLU 66 Ca -0.01 -0.07 -0.18 0.00 0.07 0.00 0.00 59.36 59.17 1wvk h GLU 66 Cb 0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1wvk h GLU 66 CO 0.02 0.45 -0.81 1.25 0.07 0.00 0.00 179.01 179.99 1wvk h HIS 67 N 0.49 0.19 -0.07 2.06 2.76 -1.34 -2.18 115.15 117.06 1wvk h HIS 67 Ca 0.12 -0.10 -0.12 0.00 -2.20 0.00 0.00 60.37 58.07 1wvk h HIS 67 Cb 0.19 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.13 1wvk h HIS 67 CO 0.01 0.88 -0.42 0.00 -1.30 0.00 0.00 177.93 177.10 1wvk h ALA 68 N 1.09 0.15 0.00 5.26 0.00 0.73 -2.17 119.26 124.32 1wvk h ALA 68 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wvk h ALA 68 Cb 1.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1wvk h ALA 68 CO 0.12 0.28 0.00 0.39 0.00 0.00 0.00 179.25 180.03 1wvk n GLU 69 N -4.33 0.14 -0.07 0.00 1.02 0.94 -0.85 120.64 117.48 1wvk n GLU 69 Ca -0.08 0.16 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1wvk n GLU 69 Cb 0.56 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 1wvk n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wvk h ALA 70 N 2.73 0.06 -2.26 0.62 0.00 -1.17 -3.45 119.26 115.78 1wvk h ALA 70 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wvk h ALA 70 Cb 0.22 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wvk h ALA 70 CO 0.00 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.11 1wvk n LYS 71 N -4.62 0.00 -3.96 0.00 4.76 -0.83 -5.01 118.16 108.49 1wvk n LYS 71 Ca -0.12 0.07 -0.38 0.00 -2.87 0.00 0.00 58.31 55.01 1wvk n LYS 71 Cb 0.36 -0.42 0.01 0.00 -1.84 0.00 0.00 35.03 33.14 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 -1.22 -1.64 -0.05 2.13 1.44 -0.03 -4.95 115.22 110.89 1wvk n HIS 72 Ca 0.00 0.35 -0.01 0.00 -2.01 0.00 0.00 57.72 56.05 1wvk n HIS 72 Cb 0.00 -2.80 -0.00 0.00 0.12 0.00 0.00 29.99 27.30 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 -1.78 0.00 -1.87 -1.40 0.13 -1.89 -3.48 132.00 121.71 1wvk h PRO 73 Ca -0.68 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1wvk h PRO 73 Cb 1.40 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.33 1wvk h PRO 73 CO 0.46 0.00 -0.08 -1.59 -0.23 0.00 0.00 178.00 176.57 1wvk s LYS 74 N -1.68 0.55 -0.64 0.86 -2.85 -1.26 -5.09 119.74 109.62 1wvk s LYS 74 Ca -0.04 1.36 -0.27 0.00 -1.00 0.00 0.00 55.97 56.02 1wvk s LYS 74 Cb 0.01 0.79 -0.00 0.00 -2.06 0.00 0.00 37.83 36.57 1wvk s LYS 74 CO 0.06 -0.18 1.63 0.00 0.10 0.00 0.00 175.35 176.96 1wvk s ALA 75 N 2.79 2.43 0.00 0.59 0.00 -1.26 -4.88 121.76 121.43 1wvk s ALA 75 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1wvk s ALA 75 Cb -0.11 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1wvk s ALA 75 CO -0.19 -3.58 0.00 -0.25 0.00 0.00 0.00 175.76 171.74 1wvk n ASP 76 N 11.31 0.00 0.08 0.00 8.00 -1.26 -3.95 116.55 130.74 1wvk n ASP 76 Ca 0.14 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.77 1wvk n ASP 76 Cb 0.51 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 42.06 1wvk n ASP 76 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1wvk n VAL 77 N 0.00 0.49 0.52 2.53 0.24 -1.26 -1.70 118.33 119.15 1wvk n VAL 77 Ca 0.00 -0.21 0.08 0.00 -2.04 0.00 0.00 64.34 62.17 1wvk n VAL 77 Cb 0.00 -0.59 0.23 0.00 -1.47 0.00 0.00 33.84 32.00 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 -2.11 0.60 0.45 3.34 0.24 -1.26 -4.09 118.33 115.49 1wvk n VAL 78 Ca 0.06 -0.63 0.08 0.00 -2.04 0.00 0.00 64.34 61.81 1wvk n VAL 78 Cb 0.40 0.36 0.34 0.00 -1.47 0.00 0.00 33.84 33.47 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 0.89 1.62 0.17 2.33 0.00 -0.69 -0.81 120.51 124.02 1wvk n ALA 79 Ca 0.16 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.65 1wvk n ALA 79 Cb 0.41 -1.26 0.07 0.00 0.00 0.00 0.00 19.45 18.67 1wvk n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvk n PHE 81 N -3.19 -0.34 0.90 0.00 1.16 0.01 -1.14 117.46 114.86 1wvk n PHE 81 Ca 0.03 -3.56 0.02 0.00 -1.87 0.00 0.00 57.45 52.06 1wvk n PHE 81 Cb 0.67 -0.30 0.11 0.00 -1.61 0.00 0.00 39.48 38.35 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 1.12 0.45 0.00 3.97 -0.02 -0.79 -1.87 135.00 137.86 1wvk n PRO 82 Ca 0.22 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 1wvk n PRO 82 Cb 0.57 -1.13 0.29 0.00 -0.02 0.00 0.00 33.50 33.21 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 -0.63 0.00 -2.59 6.00 8.25 -1.26 -3.89 115.22 121.10 1wvk n HIS 83 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1wvk n HIS 83 Cb 0.01 -0.17 0.03 0.00 1.12 0.00 0.00 29.99 30.99 1wvk n HIS 83 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1wvk n LEU 84 N -1.02 2.57 -0.18 2.41 -0.00 -0.78 -3.32 117.00 116.69 1wvk n LEU 84 Ca 0.09 -3.92 0.29 0.00 -0.00 0.00 0.00 56.01 52.46 1wvk n LEU 84 Cb 0.35 0.17 0.58 0.00 -0.00 0.00 0.00 43.42 44.52 1wvk n LEU 84 CO 0.30 1.60 1.26 0.11 -0.00 0.00 0.00 177.39 180.67 1wvk h LYS 85 N 2.69 0.00 0.00 1.47 1.57 -1.70 -3.49 116.57 117.11 1wvk h LYS 85 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wvk h LYS 85 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1wvk h LYS 85 CO 0.50 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.55