#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvn h LEU 2 N 0.00 0.68 -0.56 2.45 3.38 -2.04 -3.31 115.31 115.91 1wvn h LEU 2 Ca 0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1wvn h LEU 2 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1wvn h LEU 2 CO 0.00 1.49 0.00 0.61 0.09 0.00 0.00 178.44 180.63 1wvn n GLY 3 N 1.48 -1.23 0.08 0.83 0.00 -1.26 -3.29 105.19 101.80 1wvn n GLY 3 Ca -0.14 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1wvn n GLY 3 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wvn h SER 4 N 0.00 0.00 -3.09 1.61 4.64 -1.96 -3.47 113.55 111.29 1wvn h SER 4 Ca 0.00 -0.17 -0.54 0.00 -0.47 0.00 0.00 61.79 60.62 1wvn h SER 4 Cb 0.35 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1wvn h SER 4 CO 0.00 0.08 0.66 -1.58 -0.87 0.00 0.00 176.83 175.12 1wvn s GLN 5 N -3.20 4.37 0.09 4.77 2.00 -1.21 -3.99 119.66 122.49 1wvn s GLN 5 Ca 0.05 1.88 0.01 0.00 -2.00 0.00 0.00 55.36 55.30 1wvn s GLN 5 Cb 0.12 -3.37 -0.00 0.00 0.80 0.00 0.00 33.01 30.56 1wvn s GLN 5 CO 0.73 -0.37 0.10 -2.37 -0.50 0.00 0.00 175.29 172.88 1wvn n THR 6 N 4.10 0.00 -4.40 -0.34 5.66 0.17 -4.94 114.28 114.53 1wvn n THR 6 Ca 0.10 -0.54 -0.19 0.00 -3.05 0.00 0.00 64.05 60.37 1wvn n THR 6 Cb 0.45 0.30 -0.14 0.00 -1.55 0.00 0.00 70.33 69.38 1wvn n THR 6 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wvn s THR 7 N -2.44 0.81 0.20 1.09 2.01 -1.26 -1.95 115.64 114.10 1wvn s THR 7 Ca 0.09 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1wvn s THR 7 Cb 0.00 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 1wvn s THR 7 CO 0.06 0.18 -0.07 -2.28 -0.69 0.00 0.00 174.62 171.82 1wvn s HIS 8 N -0.35 1.53 -0.01 4.92 5.04 0.12 -4.98 115.29 121.56 1wvn s HIS 8 Ca 0.03 -0.78 -0.03 0.00 -1.54 0.00 0.00 55.06 52.75 1wvn s HIS 8 Cb -0.05 -0.82 -0.00 0.00 0.04 0.00 0.00 32.58 31.76 1wvn s HIS 8 CO -0.00 0.11 0.05 -2.00 -2.34 0.00 0.00 174.74 170.56 1wvn s GLU 9 N -3.77 0.19 0.28 2.88 -6.30 -1.26 -0.92 118.70 109.80 1wvn s GLU 9 Ca 0.23 -0.14 -0.10 0.00 -2.50 0.00 0.00 54.97 52.47 1wvn s GLU 9 Cb 0.03 0.08 0.00 0.00 0.00 0.00 0.00 34.13 34.24 1wvn s GLU 9 CO 0.06 -0.03 0.49 -0.48 0.02 0.00 0.00 175.26 175.31 1wvn s LEU 10 N -0.51 0.52 -0.12 2.70 0.05 -0.12 -5.01 118.68 116.21 1wvn s LEU 10 Ca -0.06 -1.12 0.03 0.00 0.05 0.00 0.00 54.13 53.03 1wvn s LEU 10 Cb -0.04 1.71 0.01 0.00 -2.05 0.00 0.00 46.19 45.82 1wvn s LEU 10 CO 0.00 -1.22 -0.20 -0.89 -0.55 0.00 0.00 176.35 173.49 1wvn s THR 11 N -3.62 1.86 -0.16 5.48 2.01 -1.26 -0.71 115.64 119.24 1wvn s THR 11 Ca 0.25 -0.88 -0.14 0.00 0.31 0.00 0.00 61.69 61.23 1wvn s THR 11 Cb -0.01 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1wvn s THR 11 CO 0.12 0.51 0.30 -0.63 -0.69 0.00 0.00 174.62 174.24 1wvn s ILE 12 N 0.70 5.30 0.35 1.82 -1.09 0.61 -4.88 121.20 124.00 1wvn s ILE 12 Ca -0.11 0.56 -0.28 0.00 -2.23 0.00 0.00 60.65 58.58 1wvn s ILE 12 Cb -0.16 -3.64 -0.12 0.00 -1.58 0.00 0.00 42.46 36.96 1wvn s ILE 12 CO 0.02 0.38 1.33 -2.65 -1.23 0.00 0.00 174.94 172.79 1wvn n PRO 13 N 3.65 2.24 -0.25 2.79 -0.02 -1.26 0.48 135.00 142.62 1wvn n PRO 13 Ca -0.12 0.78 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 1wvn n PRO 13 Cb 0.52 -2.40 0.43 0.00 -0.02 0.00 0.00 33.50 32.03 1wvn n PRO 13 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1wvn h ASN 14 N 2.68 0.55 0.50 2.55 2.35 -1.24 0.79 115.58 123.77 1wvn h ASN 14 Ca -0.47 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1wvn h ASN 14 Cb 1.27 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1wvn h ASN 14 CO 0.63 0.26 0.00 -0.46 -1.65 0.00 0.00 177.43 176.21 1wvn n ASN 15 N -4.55 0.21 -0.00 5.81 6.94 -1.26 -2.83 115.26 119.58 1wvn n ASN 15 Ca 0.18 0.56 0.05 0.00 -0.02 0.00 0.00 54.58 55.35 1wvn n ASN 15 Cb 0.55 -0.60 -0.07 0.00 -2.36 0.00 0.00 39.78 37.30 1wvn n ASN 15 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1wvn n LEU 16 N -1.74 0.31 -0.07 -4.53 4.77 0.26 -4.69 117.00 111.31 1wvn n LEU 16 Ca 0.03 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1wvn n LEU 16 Cb 0.17 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.55 1wvn n LEU 16 CO 0.14 0.08 1.05 -0.29 -1.33 0.00 0.00 177.39 177.04 1wvn h ILE 17 N 0.00 1.18 -0.15 -0.08 6.09 -1.37 -2.20 117.51 120.99 1wvn h ILE 17 Ca 0.00 -0.58 -0.03 0.00 -1.37 0.00 0.00 64.86 62.88 1wvn h ILE 17 Cb 0.34 0.63 -0.01 0.00 0.47 0.00 0.00 36.82 38.24 1wvn h ILE 17 CO 0.00 0.22 -0.05 1.23 -3.07 0.00 0.00 178.15 176.48 1wvn h GLY 18 N 0.84 0.24 1.11 8.18 0.00 -1.84 -0.97 103.07 110.63 1wvn h GLY 18 Ca 0.16 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 1wvn h GLY 18 CO -0.01 0.12 -0.47 0.00 0.00 0.00 0.00 176.54 176.17 1wvn h ILE 20 N 0.66 1.25 0.07 0.00 1.08 -1.09 -3.26 117.51 116.23 1wvn h ILE 20 Ca 0.03 -0.86 -0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1wvn h ILE 20 Cb 1.07 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1wvn h ILE 20 CO 0.11 0.34 -0.04 0.40 -0.69 0.00 0.00 178.15 178.27 1wvn h ILE 21 N 1.01 1.09 0.00 -0.67 2.04 -1.19 -2.03 117.51 117.77 1wvn h ILE 21 Ca 0.22 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1wvn h ILE 21 Cb 0.28 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1wvn h ILE 21 CO -0.01 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.07 1wvn n GLY 22 N 1.02 -1.70 3.67 5.37 0.00 0.19 -1.70 105.19 112.04 1wvn n GLY 22 Ca -0.08 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 1wvn n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wvn n ARG 23 N -2.11 2.70 -1.66 1.61 0.63 -1.26 -1.82 116.66 114.75 1wvn n ARG 23 Ca 0.00 0.99 -0.20 0.00 -0.92 0.00 0.00 57.85 57.72 1wvn n ARG 23 Cb 0.00 -2.90 -0.08 0.00 0.45 0.00 0.00 32.46 29.93 1wvn n ARG 23 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1wvn n GLN 24 N 6.76 -1.42 -1.35 -0.14 6.02 -1.26 -1.21 117.38 124.77 1wvn n GLN 24 Ca 0.20 1.19 -0.09 0.00 -0.01 0.00 0.00 57.00 58.29 1wvn n GLN 24 Cb 0.37 -5.57 -0.03 0.00 1.02 0.00 0.00 30.24 26.03 1wvn n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wvn n GLY 25 N -0.54 0.93 0.32 1.08 0.00 -0.75 -4.94 105.19 101.28 1wvn n GLY 25 Ca -0.21 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 1wvn n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wvn h ALA 26 N 0.04 0.99 -0.01 4.61 0.00 -1.07 -1.56 119.26 122.26 1wvn h ALA 26 Ca -0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1wvn h ALA 26 Cb 0.63 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wvn h ALA 26 CO 0.26 0.52 -0.00 -0.91 0.00 0.00 0.00 179.25 179.12 1wvn h ASN 27 N 1.07 0.02 -0.09 0.00 2.35 -1.56 -1.76 115.58 115.61 1wvn h ASN 27 Ca 0.27 -0.32 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1wvn h ASN 27 Cb 0.07 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1wvn h ASN 27 CO -0.04 0.34 -0.23 -0.29 -1.65 0.00 0.00 177.43 175.56 1wvn h ILE 28 N -0.29 1.26 -0.12 2.81 6.09 -0.68 -1.80 117.51 124.78 1wvn h ILE 28 Ca 0.00 -1.25 0.03 0.00 -1.37 0.00 0.00 64.86 62.28 1wvn h ILE 28 Cb 0.33 1.31 -0.04 0.00 0.47 0.00 0.00 36.82 38.89 1wvn h ILE 28 CO 0.00 0.40 -0.10 -1.13 -3.07 0.00 0.00 178.15 174.25 1wvn h ASN 29 N 0.45 -0.30 -0.72 2.19 -1.24 -1.23 -1.31 115.58 113.41 1wvn h ASN 29 Ca 0.07 0.06 0.11 0.00 0.71 0.00 0.00 56.30 57.25 1wvn h ASN 29 Cb 0.65 0.16 -0.08 0.00 0.73 0.00 0.00 38.32 39.78 1wvn h ASN 29 CO 0.05 -0.13 0.34 -0.08 -1.29 0.00 0.00 177.43 176.31 1wvn h GLU 30 N -0.11 0.54 -0.46 6.67 4.81 -0.94 -0.04 114.58 125.04 1wvn h GLU 30 Ca 0.08 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1wvn h GLU 30 Cb 0.22 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1wvn h GLU 30 CO -0.19 0.36 0.01 0.82 -0.73 0.00 0.00 179.01 179.28 1wvn h ILE 31 N 0.55 1.26 0.20 2.32 2.04 -1.11 -0.01 117.51 122.76 1wvn h ILE 31 Ca 0.37 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1wvn h ILE 31 Cb 0.44 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1wvn h ILE 31 CO -0.31 0.36 -0.13 0.03 0.00 0.00 0.00 178.15 178.10 1wvn h ARG 32 N 0.66 -0.32 -0.49 2.37 3.08 -0.99 -1.41 114.38 117.29 1wvn h ARG 32 Ca 0.13 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.22 1wvn h ARG 32 Cb 0.49 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1wvn h ARG 32 CO 0.02 -0.21 0.30 1.96 -1.07 0.00 0.00 179.97 180.97 1wvn h GLN 33 N -0.33 0.59 -0.40 0.04 4.20 -0.93 -0.57 115.11 117.71 1wvn h GLN 33 Ca -0.01 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1wvn h GLN 33 Cb 0.28 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1wvn h GLN 33 CO 0.01 0.39 -0.21 0.52 -0.67 0.00 0.00 178.83 178.87 1wvn h MET 34 N 0.61 0.86 0.00 1.46 2.86 -0.99 -3.30 114.93 116.43 1wvn h MET 34 Ca 0.19 -0.38 -0.19 0.00 -2.06 0.00 0.00 59.70 57.26 1wvn h MET 34 Cb -0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1wvn h MET 34 CO -0.07 1.02 -1.07 0.66 1.06 0.00 0.00 176.91 178.51 1wvn h SER 35 N 0.67 0.00 -0.04 1.22 4.64 -1.19 -3.48 113.55 115.38 1wvn h SER 35 Ca 0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1wvn h SER 35 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1wvn h SER 35 CO 0.06 0.78 -0.02 0.61 -0.87 0.00 0.00 176.83 177.40 1wvn n GLY 36 N 1.36 0.40 3.90 -0.77 0.00 -0.23 -4.64 105.19 105.21 1wvn n GLY 36 Ca -0.04 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1wvn n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wvn s ALA 37 N -1.73 3.80 -0.08 4.61 0.00 -1.24 -4.95 121.76 122.18 1wvn s ALA 37 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 1wvn s ALA 37 Cb 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1wvn s ALA 37 CO 0.00 0.68 0.87 -1.14 0.00 0.00 0.00 175.76 176.17 1wvn s GLN 38 N -2.58 4.44 -0.11 0.00 0.74 -0.34 -4.66 119.66 117.13 1wvn s GLN 38 Ca 0.40 1.17 -0.00 0.00 0.05 0.00 0.00 55.36 56.98 1wvn s GLN 38 Cb -0.12 -3.50 0.02 0.00 1.10 0.00 0.00 33.01 30.51 1wvn s GLN 38 CO 0.24 -0.13 -0.09 0.42 -0.55 0.00 0.00 175.29 175.18 1wvn s ILE 39 N 1.40 1.11 -0.10 -2.34 1.01 -1.26 -1.04 121.20 119.98 1wvn s ILE 39 Ca 0.44 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.78 1wvn s ILE 39 Cb -0.19 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1wvn s ILE 39 CO 0.20 0.38 -0.21 -0.54 0.00 0.00 0.00 174.94 174.76 1wvn s LYS 40 N 1.60 2.78 -0.13 2.79 -0.14 -0.39 -5.01 119.74 121.25 1wvn s LYS 40 Ca 0.04 -0.78 -0.21 0.00 -1.36 0.00 0.00 55.97 53.65 1wvn s LYS 40 Cb -0.13 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.85 1wvn s LYS 40 CO -0.08 0.13 0.61 0.42 -0.76 0.00 0.00 175.35 175.67 1wvn s ILE 41 N 0.44 5.08 0.60 2.17 1.01 -1.26 -1.60 121.20 127.65 1wvn s ILE 41 Ca -0.17 1.20 -0.18 0.00 0.00 0.00 0.00 60.65 61.50 1wvn s ILE 41 Cb -0.17 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1wvn s ILE 41 CO 0.07 0.23 1.15 0.00 0.00 0.00 0.00 174.94 176.39 1wvn s ALA 42 N 1.11 2.56 0.22 9.38 0.00 0.13 -4.96 121.76 130.20 1wvn s ALA 42 Ca 0.31 0.79 -0.32 0.00 0.00 0.00 0.00 51.96 52.74 1wvn s ALA 42 Cb -0.16 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 1wvn s ALA 42 CO 0.13 -1.06 1.25 0.09 0.00 0.00 0.00 175.76 176.17 1wvn n ASN 43 N -1.76 1.96 -4.78 0.00 3.02 -1.26 -4.79 115.26 107.65 1wvn n ASN 43 Ca 0.12 1.15 -0.37 0.00 -0.03 0.00 0.00 54.58 55.45 1wvn n ASN 43 Cb 0.51 -1.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.34 1wvn n ASN 43 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wvn s PRO 44 N -0.54 3.96 -0.05 3.52 0.04 -1.26 -4.92 135.00 135.75 1wvn s PRO 44 Ca 0.69 1.65 0.06 0.00 0.04 0.00 0.00 61.00 63.44 1wvn s PRO 44 Cb -0.75 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 1wvn s PRO 44 CO 0.52 -0.35 -0.24 0.14 0.04 0.00 0.00 177.00 177.11 1wvn s VAL 45 N -1.60 2.16 0.28 -0.36 -7.23 -1.26 -5.11 120.40 107.28 1wvn s VAL 45 Ca 0.61 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.44 1wvn s VAL 45 Cb -0.25 -1.78 -0.11 0.00 0.56 0.00 0.00 36.38 34.79 1wvn s VAL 45 CO 0.31 0.57 1.61 -0.70 -0.31 0.00 0.00 175.10 176.59 1wvn s GLU 46 N -0.24 4.12 -0.98 4.82 2.56 -1.26 -2.77 118.70 124.95 1wvn s GLU 46 Ca -0.01 2.58 0.00 0.00 0.00 0.00 0.00 54.97 57.54 1wvn s GLU 46 Cb -0.13 -3.03 0.00 0.00 2.00 0.00 0.00 34.13 32.97 1wvn s GLU 46 CO 0.03 -0.65 0.00 0.41 -0.56 0.00 0.00 175.26 174.49 1wvn n GLY 47 N 2.40 1.07 3.89 -1.50 0.00 -1.26 -5.04 105.19 104.76 1wvn n GLY 47 Ca 0.09 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1wvn n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wvn s SER 48 N -2.90 6.35 -0.02 1.61 1.04 -1.11 -5.01 113.70 113.66 1wvn s SER 48 Ca 0.00 1.01 0.21 0.00 0.48 0.00 0.00 55.95 57.65 1wvn s SER 48 Cb 0.00 -2.28 -0.31 0.00 0.10 0.00 0.00 66.02 63.53 1wvn s SER 48 CO 0.00 -0.52 0.53 -1.54 0.98 0.00 0.00 173.24 172.69 1wvn n SER 49 N -1.92 0.33 -4.20 7.02 3.41 -1.26 -4.95 113.62 112.05 1wvn n SER 49 Ca 0.01 -0.17 -0.15 0.00 -0.26 0.00 0.00 58.87 58.30 1wvn n SER 49 Cb 0.55 1.79 -0.11 0.00 -0.26 0.00 0.00 64.21 66.18 1wvn n SER 49 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wvn s GLY 50 N -4.15 0.93 -0.14 5.00 0.00 -1.26 -0.73 107.32 106.96 1wvn s GLY 50 Ca -0.05 -1.27 -0.00 0.00 0.00 0.00 0.00 44.72 43.40 1wvn s GLY 50 CO 0.87 -1.34 -0.13 -1.60 0.00 0.00 0.00 173.10 170.89 1wvn s ARG 51 N -2.95 3.33 0.35 2.90 6.06 0.18 -4.80 118.95 124.01 1wvn s ARG 51 Ca 0.08 -0.70 -0.26 0.00 -2.50 0.00 0.00 55.73 52.35 1wvn s ARG 51 Cb -0.02 -2.65 -0.09 0.00 0.06 0.00 0.00 34.95 32.24 1wvn s ARG 51 CO 0.01 0.12 1.01 -0.65 -2.50 0.00 0.00 175.30 173.29 1wvn s GLN 52 N 0.57 4.42 -0.05 5.12 -0.21 -1.26 -0.28 119.66 127.96 1wvn s GLN 52 Ca -0.08 1.46 -0.00 0.00 0.02 0.00 0.00 55.36 56.76 1wvn s GLN 52 Cb -0.16 -2.74 0.03 0.00 1.00 0.00 0.00 33.01 31.14 1wvn s GLN 52 CO 0.03 0.10 -0.00 0.08 -2.12 0.00 0.00 175.29 173.38 1wvn s VAL 53 N -1.58 0.31 -0.01 1.09 1.01 0.11 -0.69 120.40 120.65 1wvn s VAL 53 Ca 0.53 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1wvn s VAL 53 Cb -0.22 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1wvn s VAL 53 CO 0.27 0.22 0.17 0.42 0.00 0.00 0.00 175.10 176.18 1wvn s THR 54 N 1.54 5.31 -0.08 3.92 -4.23 -0.62 -0.94 115.64 120.53 1wvn s THR 54 Ca -0.02 -0.21 -0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1wvn s THR 54 Cb -0.13 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.26 1wvn s THR 54 CO -0.03 0.32 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.70 1wvn s ILE 55 N -1.31 0.68 0.05 2.99 1.01 -0.10 -1.26 121.20 123.27 1wvn s ILE 55 Ca 0.27 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.91 1wvn s ILE 55 Cb -0.13 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 1wvn s ILE 55 CO 0.18 0.30 -0.26 0.42 0.00 0.00 0.00 174.94 175.58 1wvn s THR 56 N 1.65 2.11 -5.00 2.92 -4.23 -0.21 0.14 115.64 113.02 1wvn s THR 56 Ca 0.02 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1wvn s THR 56 Cb -0.13 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.90 1wvn s THR 56 CO -0.05 0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1wvn n GLY 57 N 1.69 -0.20 3.79 3.99 0.00 -0.82 -1.20 105.19 112.43 1wvn n GLY 57 Ca -0.17 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1wvn n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wvn s SER 58 N -4.00 4.03 0.32 1.61 1.04 -1.26 -0.65 113.70 114.78 1wvn s SER 58 Ca 0.00 1.22 0.05 0.00 0.48 0.00 0.00 55.95 57.70 1wvn s SER 58 Cb 0.00 -1.90 0.67 0.00 0.10 0.00 0.00 66.02 64.89 1wvn s SER 58 CO 0.00 -2.25 1.85 0.00 0.98 0.00 0.00 173.24 173.82 1wvn h ALA 59 N -1.28 1.66 -0.18 5.32 0.00 -1.96 -1.55 119.26 121.26 1wvn h ALA 59 Ca -0.49 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1wvn h ALA 59 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1wvn h ALA 59 CO 0.60 0.10 0.08 0.00 0.00 0.00 0.00 179.25 180.02 1wvn h ALA 60 N 1.57 0.24 -0.02 0.00 0.00 -1.94 -0.21 119.26 118.89 1wvn h ALA 60 Ca 0.47 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 1wvn h ALA 60 Cb 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1wvn h ALA 60 CO -0.23 -0.18 -0.58 0.66 0.00 0.00 0.00 179.25 178.91 1wvn h SER 61 N 0.15 0.07 -0.21 0.00 4.64 -1.75 -1.05 113.55 115.39 1wvn h SER 61 Ca 0.06 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1wvn h SER 61 Cb 0.15 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1wvn h SER 61 CO -0.01 0.64 -0.07 0.40 -0.87 0.00 0.00 176.83 176.92 1wvn h ILE 62 N 0.05 1.29 -0.73 0.95 2.04 -1.20 0.38 117.51 120.29 1wvn h ILE 62 Ca -0.01 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 64.80 1wvn h ILE 62 Cb 1.04 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 1wvn h ILE 62 CO 0.08 0.33 0.46 -1.28 0.00 0.00 0.00 178.15 177.74 1wvn h SER 63 N 0.13 0.76 -0.20 1.72 0.87 -0.86 -0.50 113.55 115.48 1wvn h SER 63 Ca 0.05 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1wvn h SER 63 Cb 0.54 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1wvn h SER 63 CO 0.02 0.53 0.10 0.25 -0.53 0.00 0.00 176.83 177.20 1wvn h LEU 64 N 0.90 0.25 -0.72 2.23 5.85 -1.09 -0.82 115.31 121.90 1wvn h LEU 64 Ca 0.29 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.99 1wvn h LEU 64 Cb 0.01 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 1wvn h LEU 64 CO -0.11 0.28 0.39 0.00 -0.34 0.00 0.00 178.44 178.66 1wvn h ALA 65 N 0.98 1.00 -0.19 1.25 0.00 -0.58 0.06 119.26 121.77 1wvn h ALA 65 Ca 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1wvn h ALA 65 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1wvn h ALA 65 CO -0.01 0.02 0.07 1.96 0.00 0.00 0.00 179.25 181.29 1wvn h GLN 66 N 0.68 0.30 -0.66 0.00 4.20 -0.83 -0.85 115.11 117.94 1wvn h GLN 66 Ca 0.34 -0.06 0.11 0.00 0.06 0.00 0.00 58.65 59.10 1wvn h GLN 66 Cb 0.30 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.96 1wvn h GLN 66 CO -0.23 0.39 0.26 -0.92 -0.67 0.00 0.00 178.83 177.66 1wvn h TYR 67 N 0.15 0.46 -0.25 2.96 3.20 -0.82 -1.48 116.97 121.18 1wvn h TYR 67 Ca 0.06 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 1wvn h TYR 67 Cb 0.21 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1wvn h TYR 67 CO -0.00 0.11 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.28 1wvn h LEU 68 N 0.44 0.51 0.09 2.82 3.38 -0.72 -0.51 115.31 121.32 1wvn h LEU 68 Ca 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wvn h LEU 68 Cb 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1wvn h LEU 68 CO -0.33 0.77 -0.04 0.40 0.09 0.00 0.00 178.44 179.33 1wvn h ILE 69 N 0.44 1.01 -0.54 1.22 2.04 -0.81 -0.87 117.51 119.99 1wvn h ILE 69 Ca 0.06 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1wvn h ILE 69 Cb 0.71 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1wvn h ILE 69 CO 0.05 0.09 0.19 0.78 0.00 0.00 0.00 178.15 179.26 1wvn h ASN 70 N -0.28 0.18 -0.85 1.72 -0.26 -1.12 -2.60 115.58 112.37 1wvn h ASN 70 Ca -0.01 0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.81 1wvn h ASN 70 Cb 0.23 0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.51 1wvn h ASN 70 CO 0.02 0.12 0.56 0.00 -1.06 0.00 0.00 177.43 177.07 1wvn h ALA 71 N 1.37 1.38 0.00 -0.83 0.00 -0.92 -2.26 119.26 118.01 1wvn h ALA 71 Ca 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1wvn h ALA 71 Cb 0.31 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wvn h ALA 71 CO -0.28 0.57 -0.30 -0.09 0.00 0.00 0.00 179.25 179.15 1wvn h ARG 72 N 1.16 0.00 -0.09 0.00 9.65 -0.80 -2.49 114.38 121.81 1wvn h ARG 72 Ca 0.31 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1wvn h ARG 72 Cb -0.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1wvn h ARG 72 CO -0.07 0.30 0.00 1.28 2.80 0.00 0.00 179.97 184.28 1wvn n LEU 73 N -4.17 0.93 -0.87 3.80 4.77 -0.86 -4.93 117.00 115.67 1wvn n LEU 73 Ca -0.02 -0.38 0.11 0.00 -0.03 0.00 0.00 56.01 55.68 1wvn n LEU 73 Cb 0.35 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1wvn n LEU 73 CO 0.38 0.19 0.59 -1.20 -1.33 0.00 0.00 177.39 176.02