#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 1.35 0.21 1.61 -0.00 -1.26 -5.12 115.29 112.08 1wvk s HIS 2 Ca 0.00 -0.66 0.04 0.00 -0.00 0.00 0.00 55.06 54.44 1wvk s HIS 2 Cb 0.00 -2.36 -0.03 0.00 -0.00 0.00 0.00 32.58 30.19 1wvk s HIS 2 CO 0.00 -1.31 0.32 -1.01 -0.00 0.00 0.00 174.74 172.74 1wvk s HIS 3 N -2.78 3.44 -0.20 0.38 4.02 -1.26 -5.10 115.29 113.79 1wvk s HIS 3 Ca 0.63 0.02 -0.09 0.00 1.02 0.00 0.00 55.06 56.64 1wvk s HIS 3 Cb -0.05 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.58 29.87 1wvk s HIS 3 CO 0.40 0.47 0.10 -1.58 1.02 0.00 0.00 174.74 175.15 1wvk s HIS 4 N -1.91 3.30 -0.25 1.40 5.65 -1.26 -5.07 115.29 117.15 1wvk s HIS 4 Ca 0.34 0.15 -0.22 0.00 0.25 0.00 0.00 55.06 55.58 1wvk s HIS 4 Cb -0.10 -2.14 0.07 0.00 -1.18 0.00 0.00 32.58 29.23 1wvk s HIS 4 CO 0.28 0.15 0.67 -1.58 -0.65 0.00 0.00 174.74 173.62 1wvk s HIS 5 N 0.54 -0.79 0.17 3.88 5.65 -1.26 -5.13 115.29 118.34 1wvk s HIS 5 Ca 0.05 1.84 -0.32 0.00 0.25 0.00 0.00 55.06 56.89 1wvk s HIS 5 Cb -0.12 0.32 -0.11 0.00 -1.18 0.00 0.00 32.58 31.49 1wvk s HIS 5 CO 0.00 -0.38 1.72 -1.58 -0.65 0.00 0.00 174.74 173.85 1wvk s HIS 6 N 0.60 2.69 0.73 3.88 5.65 -1.26 -4.96 115.29 122.63 1wvk s HIS 6 Ca -0.02 0.29 -0.13 0.00 0.25 0.00 0.00 55.06 55.45 1wvk s HIS 6 Cb -0.05 -4.10 0.04 0.00 -1.18 0.00 0.00 32.58 27.29 1wvk s HIS 6 CO -0.03 -4.28 1.12 -1.01 -0.65 0.00 0.00 174.74 169.89 1wvk s HIS 7 N 1.70 2.40 0.00 3.88 4.02 -1.26 -3.16 115.29 122.87 1wvk s HIS 7 Ca 0.76 1.59 0.00 0.00 1.02 0.00 0.00 55.06 58.42 1wvk s HIS 7 Cb -0.47 -3.20 0.00 0.00 -1.02 0.00 0.00 32.58 27.89 1wvk s HIS 7 CO 0.33 -2.00 0.00 1.28 1.02 0.00 0.00 174.74 175.37 1wvk n LEU 8 N -3.02 0.00 -4.47 0.89 4.77 -1.26 -4.98 117.00 108.94 1wvk n LEU 8 Ca 0.11 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.66 1wvk n LEU 8 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1wvk n LEU 8 CO 0.50 0.00 0.79 -1.61 -1.33 0.00 0.00 177.39 175.74 1wvk s GLU 9 N -0.13 3.14 0.06 3.23 0.41 -1.19 -4.80 118.70 119.41 1wvk s GLU 9 Ca 0.00 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 1wvk s GLU 9 Cb 0.00 -4.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.14 1wvk s GLU 9 CO 0.00 -1.82 0.00 0.41 -0.49 0.00 0.00 175.26 173.36 1wvk n GLY 10 N 5.31 -3.61 3.58 -1.39 0.00 -1.26 -4.75 105.19 103.07 1wvk n GLY 10 Ca -0.03 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.13 1.08 -0.45 -0.02 0.00 -1.26 -4.73 107.32 100.81 1wvk s GLY 11 Ca 0.00 -2.60 0.04 0.00 0.00 0.00 0.00 44.72 42.16 1wvk s GLY 11 CO 0.00 3.04 1.46 0.61 0.00 0.00 0.00 173.10 178.21 1wvk n GLY 12 N 5.62 6.16 3.18 0.20 0.00 -1.26 -4.77 105.19 114.32 1wvk n GLY 12 Ca 0.47 -2.57 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 1wvk n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wvk s ASN 13 N -2.95 2.11 0.56 1.61 0.02 -1.26 -5.10 114.94 109.93 1wvk s ASN 13 Ca 0.54 -0.34 -0.03 0.00 -1.02 0.00 0.00 52.86 52.01 1wvk s ASN 13 Cb 0.44 -0.23 0.02 0.00 0.02 0.00 0.00 41.25 41.49 1wvk s ASN 13 CO -0.03 0.21 0.83 0.00 0.02 0.00 0.00 177.10 178.13 1wvk s ALA 14 N -0.45 3.49 0.18 0.60 0.00 -1.26 -3.74 121.76 120.59 1wvk s ALA 14 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1wvk s ALA 14 Cb -0.07 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1wvk s ALA 14 CO -0.01 -0.74 0.00 0.94 0.00 0.00 0.00 175.76 175.96 1wvk n GLN 15 N -2.45 -1.29 0.00 0.00 7.27 -1.26 -4.65 117.38 115.00 1wvk n GLN 15 Ca 0.05 0.93 0.00 0.00 0.07 0.00 0.00 57.00 58.04 1wvk n GLN 15 Cb 0.58 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.68 1wvk n GLN 15 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1wvk n LYS 16 N -2.97 0.00 -0.85 3.69 3.00 -1.26 -3.23 118.16 116.53 1wvk n LYS 16 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.34 1wvk n LYS 16 Cb 0.28 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.39 1wvk n LYS 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1wvk n SER 17 N 2.81 1.15 -3.80 3.14 7.64 -1.26 -4.96 113.62 118.33 1wvk n SER 17 Ca 0.00 -2.63 -0.27 0.00 1.01 0.00 0.00 58.87 56.98 1wvk n SER 17 Cb 0.00 -0.35 0.04 0.00 -1.01 0.00 0.00 64.21 62.89 1wvk n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wvk n ALA 18 N -0.29 -1.41 -0.99 -0.43 0.00 -1.20 -0.76 120.51 115.44 1wvk n ALA 18 Ca 0.09 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1wvk n ALA 18 Cb 0.86 -4.34 0.00 0.00 0.00 0.00 0.00 19.45 15.98 1wvk n ALA 18 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wvk n MET 19 N -4.69 -0.06 0.10 0.00 2.81 -1.23 -4.86 117.12 109.17 1wvk n MET 19 Ca -0.02 0.02 -0.05 0.00 -1.81 0.00 0.00 57.70 55.83 1wvk n MET 19 Cb 0.56 -2.92 0.02 0.00 -0.71 0.00 0.00 33.22 30.18 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 0.64 -0.09 3.04 0.00 -1.16 -3.41 119.26 118.28 1wvk h ALA 20 Ca 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 54.91 54.27 1wvk h ALA 20 Cb 0.03 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 17.55 1wvk h ALA 20 CO 0.00 0.97 -0.07 -0.98 0.00 0.00 0.00 179.25 179.17 1wvk s ARG 21 N -3.20 0.09 0.00 0.00 1.70 -1.26 -4.76 118.95 111.51 1wvk s ARG 21 Ca -0.01 -0.07 0.00 0.00 -0.47 0.00 0.00 55.73 55.18 1wvk s ARG 21 Cb 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1wvk s ARG 21 CO 0.80 -0.12 0.30 0.00 -1.08 0.00 0.00 175.30 175.20 1wvk n ALA 22 N 2.93 0.00 -1.18 7.88 0.00 -1.25 -4.15 120.51 124.74 1wvk n ALA 22 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.55 1wvk n ALA 22 Cb 0.65 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.36 0.85 0.06 0.00 5.02 -1.26 -4.82 118.16 117.66 1wvk n LYS 23 Ca 0.00 -1.37 -0.17 0.00 -2.02 0.00 0.00 58.31 54.75 1wvk n LYS 23 Cb 0.00 -0.84 -0.14 0.00 -0.02 0.00 0.00 35.03 34.03 1wvk n LYS 23 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1wvk h ASN 24 N 0.00 0.39 0.00 4.39 -0.73 -1.94 -3.46 115.58 114.23 1wvk h ASN 24 Ca 0.00 -0.55 0.00 0.00 1.87 0.00 0.00 56.30 57.62 1wvk h ASN 24 Cb 1.05 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.51 1wvk h ASN 24 CO 0.00 1.46 0.00 -0.11 -0.37 0.00 0.00 177.43 178.41 1wvk n LEU 25 N -3.45 0.00 -2.84 0.34 -0.00 -1.26 -4.16 117.00 105.62 1wvk n LEU 25 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.83 1wvk n LEU 25 Cb 1.04 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.45 1wvk n LEU 25 CO 0.50 -0.05 -0.46 -0.62 -0.00 0.00 0.00 177.39 176.77 1wvk n GLU 26 N -1.15 -2.83 -1.95 1.96 -0.58 -1.26 -4.85 120.64 109.99 1wvk n GLU 26 Ca 0.00 2.33 -0.02 0.00 -0.42 0.00 0.00 57.16 59.05 1wvk n GLU 26 Cb 0.00 -3.57 -0.02 0.00 -0.57 0.00 0.00 31.44 27.28 1wvk n GLU 26 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wvk n LYS 27 N 1.50 -2.32 0.06 3.49 4.76 -1.26 -4.71 118.16 119.67 1wvk n LYS 27 Ca -0.14 1.99 -0.11 0.00 -2.87 0.00 0.00 58.31 57.18 1wvk n LYS 27 Cb 0.31 -2.90 -0.08 0.00 -1.84 0.00 0.00 35.03 30.52 1wvk n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wvk h ALA 28 N 2.01 -0.22 -0.20 7.82 0.00 -1.99 -3.20 119.26 123.48 1wvk h ALA 28 Ca -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wvk h ALA 28 Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wvk h ALA 28 CO 0.00 -0.33 0.00 1.63 0.00 0.00 0.00 179.25 180.56 1wvk n LYS 29 N -4.94 2.47 -0.19 0.00 5.02 -1.26 -4.37 118.16 114.89 1wvk n LYS 29 Ca -0.08 -1.73 0.09 0.00 -2.02 0.00 0.00 58.31 54.57 1wvk n LYS 29 Cb 0.27 -1.18 0.17 0.00 -0.02 0.00 0.00 35.03 34.27 1wvk n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wvk n ALA 30 N 0.23 2.51 -1.76 7.82 0.00 -1.26 -5.03 120.51 123.02 1wvk n ALA 30 Ca 0.07 -2.59 -0.39 0.00 0.00 0.00 0.00 53.44 50.53 1wvk n ALA 30 Cb 0.34 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.89 3.32 0.00 0.00 0.00 -1.21 -4.93 121.76 116.06 1wvk s ALA 31 Ca 0.35 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1wvk s ALA 31 Cb 0.30 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1wvk s ALA 31 CO 0.04 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1wvk n GLY 32 N 1.01 2.24 1.59 0.00 0.00 -1.26 -5.07 105.19 103.70 1wvk n GLY 32 Ca 0.00 -1.73 -0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 0.31 -4.38 1.61 4.76 -1.26 -5.13 118.16 114.08 1wvk n LYS 33 Ca 0.00 -1.81 -0.29 0.00 -2.87 0.00 0.00 58.31 53.34 1wvk n LYS 33 Cb 0.00 -0.01 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1wvk n LYS 33 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wvk s GLY 34 N -1.84 2.67 0.00 0.72 0.00 -1.26 -4.97 107.32 102.65 1wvk s GLY 34 Ca 0.21 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1wvk s GLY 34 CO -0.10 -2.07 0.00 -1.26 0.00 0.00 0.00 173.10 169.68 1wvk n SER 35 N -1.39 0.00 -2.63 1.64 2.88 -1.26 -5.14 113.62 107.71 1wvk n SER 35 Ca -0.10 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.35 1wvk n SER 35 Cb 0.66 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.18 1wvk n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wvk n GLN 36 N 0.00 -0.59 -0.18 -1.46 6.02 -1.26 -4.96 117.38 114.94 1wvk n GLN 36 Ca 0.00 -0.63 -0.02 0.00 -0.01 0.00 0.00 57.00 56.33 1wvk n GLN 36 Cb 0.00 -0.44 0.08 0.00 1.02 0.00 0.00 30.24 30.89 1wvk n GLN 36 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1wvk h LEU 37 N 0.00 0.30 -1.40 1.08 5.85 -2.04 -3.48 115.31 115.62 1wvk h LEU 37 Ca -0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1wvk h LEU 37 Cb 0.38 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1wvk h LEU 37 CO 0.09 0.20 -0.65 1.21 -0.34 0.00 0.00 178.44 178.95 1wvk n GLU 38 N -4.94 -3.78 -3.23 1.25 2.13 -1.26 -5.01 120.64 105.80 1wvk n GLU 38 Ca 0.06 2.84 -0.32 0.00 0.66 0.00 0.00 57.16 60.40 1wvk n GLU 38 Cb 0.20 -2.97 -0.06 0.00 0.27 0.00 0.00 31.44 28.88 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 -0.36 3.40 0.21 4.31 0.00 -1.26 -4.98 121.76 123.08 1wvk s ALA 39 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 1wvk s ALA 39 Cb 0.00 -2.65 0.28 0.00 0.00 0.00 0.00 23.12 20.74 1wvk s ALA 39 CO 0.00 0.39 1.74 -0.97 0.00 0.00 0.00 175.76 176.92 1wvk h ASN 40 N 2.35 0.21 -0.82 0.00 -1.24 -1.95 -1.45 115.58 112.68 1wvk h ASN 40 Ca -0.47 0.08 -0.48 0.00 0.71 0.00 0.00 56.30 56.14 1wvk h ASN 40 Cb 1.17 0.06 -0.25 0.00 0.73 0.00 0.00 38.32 40.04 1wvk h ASN 40 CO 0.67 0.13 0.61 0.29 -1.29 0.00 0.00 177.43 177.84 1wvk n LYS 41 N -5.00 2.17 -0.32 6.67 5.02 -1.26 -4.11 118.16 121.32 1wvk n LYS 41 Ca 0.09 -2.56 -0.01 0.00 -2.02 0.00 0.00 58.31 53.80 1wvk n LYS 41 Cb 0.28 -2.01 0.16 0.00 -0.02 0.00 0.00 35.03 33.44 1wvk n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1wvk h LYS 42 N 1.21 1.21 0.00 1.97 3.64 -1.65 -3.44 116.57 119.51 1wvk h LYS 42 Ca 0.52 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1wvk h LYS 42 Cb 1.88 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1wvk h LYS 42 CO 1.07 0.80 0.00 0.00 -2.27 0.00 0.00 179.45 179.05 1wvk n ALA 43 N -2.39 0.00 -2.07 5.00 0.00 -1.26 -5.00 120.51 114.78 1wvk n ALA 43 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.27 1wvk n ALA 43 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 1wvk n ALA 43 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wvk s MET 44 N 0.00 2.60 0.00 0.00 -1.94 -1.26 -3.84 119.30 114.86 1wvk s MET 44 Ca 0.00 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1wvk s MET 44 Cb 0.00 -5.09 0.00 0.00 2.01 0.00 0.00 34.83 31.75 1wvk s MET 44 CO 0.00 -3.37 0.00 0.43 -0.01 0.00 0.00 175.02 172.07 1wvk n SER 45 N 13.79 0.00 -4.51 3.03 7.64 -1.22 -4.70 113.62 127.65 1wvk n SER 45 Ca 0.40 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.95 1wvk n SER 45 Cb 0.47 0.07 -0.12 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.70 3.46 -0.23 0.44 1.01 -0.10 -4.82 121.20 120.26 1wvk s ILE 46 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 1wvk s ILE 46 Cb 0.00 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1wvk s ILE 46 CO 0.00 0.57 0.27 -1.58 0.00 0.00 0.00 174.94 174.20 1wvk s GLN 47 N -0.41 4.09 0.42 2.79 0.74 -1.25 -0.38 119.66 125.67 1wvk s GLN 47 Ca 0.05 -0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.12 1wvk s GLN 47 Cb -0.12 -3.57 -0.09 0.00 1.10 0.00 0.00 33.01 30.33 1wvk s GLN 47 CO 0.02 -0.04 1.45 0.00 -0.55 0.00 0.00 175.29 176.18 1wvk h LYS 49 N 2.56 0.17 0.00 0.00 3.11 -0.67 -2.79 116.57 118.96 1wvk h LYS 49 Ca -0.51 -0.12 -0.01 0.00 -2.81 0.00 0.00 60.65 57.20 1wvk h LYS 49 Cb 1.26 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.50 1wvk h LYS 49 CO 0.62 0.73 -0.04 -0.39 -2.81 0.00 0.00 179.45 177.56 1wvk h VAL 50 N 0.12 0.69 0.00 2.00 -1.51 -1.89 -3.44 116.25 112.22 1wvk h VAL 50 Ca -0.01 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1wvk h VAL 50 Cb 1.11 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1wvk h VAL 50 CO 0.09 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 176.47 1wvk n MET 52 N -1.43 0.00 -0.33 0.00 1.56 -1.06 -4.91 117.12 110.95 1wvk n MET 52 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1wvk n MET 52 Cb 0.00 0.00 0.00 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 0.00 1.60 -4.17 2.12 1.13 -1.25 -4.61 117.38 112.19 1wvk n GLN 53 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 1wvk n GLN 53 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.25 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 0.48 0.32 5.09 -1.32 -1.25 0.36 115.64 120.25 1wvk s THR 54 Ca 0.00 -1.92 0.01 0.00 -1.21 0.00 0.00 61.69 58.57 1wvk s THR 54 Cb 0.00 -1.86 -0.01 0.00 -1.51 0.00 0.00 72.50 69.12 1wvk s THR 54 CO 0.00 -0.69 0.37 -0.36 -2.21 0.00 0.00 174.62 171.72 1wvk s PHE 55 N -3.77 1.34 0.02 9.09 0.08 0.49 -4.82 117.98 120.41 1wvk s PHE 55 Ca 0.17 -1.44 -0.23 0.00 0.12 0.00 0.00 56.93 55.55 1wvk s PHE 55 Cb 0.06 -0.38 -0.05 0.00 -0.57 0.00 0.00 43.02 42.08 1wvk s PHE 55 CO -0.02 -0.98 0.67 -1.50 -0.10 0.00 0.00 175.22 173.29 1wvk s ILE 56 N -3.33 4.83 -0.79 0.64 1.10 -1.26 -0.93 121.20 121.46 1wvk s ILE 56 Ca 0.35 1.42 -0.03 0.00 -0.51 0.00 0.00 60.65 61.88 1wvk s ILE 56 Cb 0.01 -4.02 0.20 0.00 0.15 0.00 0.00 42.46 38.81 1wvk s ILE 56 CO 0.22 0.39 0.65 0.00 -2.11 0.00 0.00 174.94 174.10 1wvk h THR 58 N 4.58 0.87 -2.09 0.00 1.35 -1.99 -3.44 112.91 112.19 1wvk h THR 58 Ca 0.09 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1wvk h THR 58 Cb 0.88 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1wvk h THR 58 CO 0.79 0.10 0.00 1.07 -0.25 0.00 0.00 175.52 177.23 1wvk n THR 59 N -4.49 0.00 -0.97 6.82 5.66 -1.26 -5.01 114.28 115.03 1wvk n THR 59 Ca 0.13 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.15 1wvk n THR 59 Cb 0.43 -0.30 0.37 0.00 -1.55 0.00 0.00 70.33 69.28 1wvk n THR 59 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1wvk n SER 60 N 0.00 5.42 0.00 1.09 2.88 -1.26 -4.96 113.62 116.80 1wvk n SER 60 Ca 0.00 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1wvk n SER 60 Cb 0.00 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1wvk n SER 60 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wvk n GLU 61 N 0.31 0.00 -0.15 -1.46 2.13 -1.26 -4.56 120.64 115.65 1wvk n GLU 61 Ca 0.33 0.00 0.28 0.00 0.66 0.00 0.00 57.16 58.43 1wvk n GLU 61 Cb 1.29 0.00 0.72 0.00 0.27 0.00 0.00 31.44 33.72 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 0.52 -0.17 6.31 2.07 -1.95 0.18 116.25 123.20 1wvk h VAL 62 Ca 0.00 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.33 1wvk h VAL 62 Cb 0.00 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1wvk h VAL 62 CO 0.00 0.00 -0.67 0.50 0.02 0.00 0.00 177.57 177.42 1wvk h LYS 63 N 0.00 0.68 0.00 1.57 3.11 -1.96 -1.36 116.57 118.61 1wvk h LYS 63 Ca 0.40 -0.50 -0.15 0.00 -2.81 0.00 0.00 60.65 57.59 1wvk h LYS 63 Cb 1.67 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.97 1wvk h LYS 63 CO -0.00 1.12 -0.73 0.00 -2.81 0.00 0.00 179.45 177.02 1wvk h ARG 65 N 0.00 -0.59 -0.79 0.00 9.65 -0.35 0.28 114.38 122.58 1wvk h ARG 65 Ca -0.01 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1wvk h ARG 65 Cb 1.35 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 30.02 1wvk h ARG 65 CO 0.10 -0.40 0.52 1.05 2.80 0.00 0.00 179.97 184.04 1wvk h GLU 66 N -0.62 0.97 0.00 0.20 4.11 -1.32 -0.24 114.58 117.68 1wvk h GLU 66 Ca -0.01 -0.06 -0.12 0.00 0.07 0.00 0.00 59.36 59.24 1wvk h GLU 66 Cb 0.56 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1wvk h GLU 66 CO -0.05 0.64 -0.56 1.25 0.07 0.00 0.00 179.01 180.35 1wvk h HIS 67 N 1.00 0.00 0.19 2.06 2.76 -1.38 -2.83 115.15 116.94 1wvk h HIS 67 Ca 0.31 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 58.16 1wvk h HIS 67 Cb 0.00 0.00 0.02 0.00 1.55 0.00 0.00 27.41 28.98 1wvk h HIS 67 CO -0.00 0.56 -1.51 0.00 -1.30 0.00 0.00 177.93 175.69 1wvk h ALA 68 N 1.44 0.05 0.00 5.26 0.00 0.44 -2.44 119.26 124.01 1wvk h ALA 68 Ca -0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 54.91 53.87 1wvk h ALA 68 Cb 1.27 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1wvk h ALA 68 CO 0.07 0.92 -0.24 1.05 0.00 0.00 0.00 179.25 181.06 1wvk h GLU 69 N 0.11 0.00 -0.00 0.00 4.11 -1.14 -1.19 114.58 116.46 1wvk h GLU 69 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1wvk h GLU 69 Cb 2.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.34 1wvk h GLU 69 CO 0.22 0.24 -0.34 0.00 0.07 0.00 0.00 179.01 179.19 1wvk n ALA 70 N -2.20 3.23 -1.12 1.06 0.00 -1.07 -4.82 120.51 115.59 1wvk n ALA 70 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1wvk n ALA 70 Cb 0.48 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.01 0.00 -3.78 0.00 4.76 -0.92 -5.05 118.16 112.15 1wvk n LYS 71 Ca 0.10 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.29 1wvk n LYS 71 Cb 0.34 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.54 1wvk n LYS 71 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1wvk n HIS 72 N -0.41 -1.82 -0.09 2.13 -0.00 -0.49 -4.90 115.22 109.63 1wvk n HIS 72 Ca 0.00 0.74 -0.09 0.00 -0.00 0.00 0.00 57.72 58.37 1wvk n HIS 72 Cb 0.00 -3.99 -0.02 0.00 -0.00 0.00 0.00 29.99 25.99 1wvk n HIS 72 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1wvk h PRO 73 N -1.84 0.43 -0.63 1.57 0.11 -1.89 -3.42 132.00 126.33 1wvk h PRO 73 Ca -0.63 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 65.59 1wvk h PRO 73 Cb 1.36 -0.09 -0.21 0.00 0.11 0.00 0.00 31.00 32.18 1wvk h PRO 73 CO 0.57 0.34 -0.10 -1.59 -0.21 0.00 0.00 178.00 177.01 1wvk s LYS 74 N -5.95 0.35 0.09 1.05 -2.85 -1.26 -5.07 119.74 106.10 1wvk s LYS 74 Ca -0.13 0.52 -0.29 0.00 -1.00 0.00 0.00 55.97 55.07 1wvk s LYS 74 Cb 0.09 0.28 -0.13 0.00 -2.06 0.00 0.00 37.83 36.01 1wvk s LYS 74 CO 0.72 -0.49 1.65 0.00 0.10 0.00 0.00 175.35 177.33 1wvk h ALA 75 N 7.86 -0.56 -0.82 0.59 0.00 -1.92 -3.46 119.26 120.94 1wvk h ALA 75 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wvk h ALA 75 Cb 1.17 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1wvk h ALA 75 CO 0.05 -0.84 0.00 -0.25 0.00 0.00 0.00 179.25 178.21 1wvk n ASP 76 N -5.38 0.00 0.11 0.00 8.00 -1.26 -1.16 116.55 116.86 1wvk n ASP 76 Ca -0.09 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.53 1wvk n ASP 76 Cb 0.28 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.56 1wvk n ASP 76 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1wvk h VAL 77 N 0.00 0.00 -0.58 2.53 -1.51 -2.03 -2.83 116.25 111.83 1wvk h VAL 77 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1wvk h VAL 77 Cb 0.00 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.58 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 -2.46 1.58 0.20 7.19 0.24 -0.31 -4.38 118.33 120.39 1wvk n VAL 78 Ca 0.03 -1.19 0.08 0.00 -2.04 0.00 0.00 64.34 61.22 1wvk n VAL 78 Cb 0.48 0.23 0.38 0.00 -1.47 0.00 0.00 33.84 33.46 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 0.98 1.21 0.67 2.33 0.00 -1.07 -0.58 120.51 124.05 1wvk n ALA 79 Ca 0.23 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.88 1wvk n ALA 79 Cb 0.76 -1.23 0.46 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.07 -1.01 -1.87 0.00 5.36 0.25 0.11 117.98 117.74 1wvk s PHE 81 Ca 0.09 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 1wvk s PHE 81 Cb 0.13 0.20 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 1wvk s PHE 81 CO 0.43 -0.76 0.14 -2.30 -1.46 0.00 0.00 175.22 171.27 1wvk n PRO 82 N 3.20 0.15 0.00 10.12 -0.02 -1.00 -2.16 135.00 145.29 1wvk n PRO 82 Ca 0.13 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.75 1wvk n PRO 82 Cb 0.60 -1.01 0.60 0.00 -0.02 0.00 0.00 33.50 33.67 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 -0.38 0.00 0.90 6.00 8.25 -1.26 -4.03 115.22 124.70 1wvk n HIS 83 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1wvk n HIS 83 Cb 0.00 -0.05 0.10 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.37 2.86 -4.75 2.41 4.77 -0.92 -3.45 117.00 117.55 1wvk n LEU 84 Ca 0.18 -1.02 -0.32 0.00 -0.03 0.00 0.00 56.01 54.82 1wvk n LEU 84 Cb 0.29 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1wvk n LEU 84 CO 0.19 0.49 0.73 -0.54 -1.33 0.00 0.00 177.39 176.93 1wvk s LYS 85 N -1.83 2.38 0.00 3.23 -0.14 -1.26 -5.06 119.74 117.06 1wvk s LYS 85 Ca 0.26 1.39 0.05 0.00 -1.36 0.00 0.00 55.97 56.32 1wvk s LYS 85 Cb 0.19 -1.90 0.04 0.00 -1.68 0.00 0.00 37.83 34.48 1wvk s LYS 85 CO 0.28 -1.58 0.67 1.63 -0.76 0.00 0.00 175.35 175.58