#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wv3 s LYS 3 N 0.00 3.93 -0.21 -0.41 2.20 -0.33 -0.50 119.74 124.43 1wv3 s LYS 3 Ca 0.00 -0.33 -0.08 0.00 -0.36 0.00 0.00 55.97 55.19 1wv3 s LYS 3 Cb 0.00 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1wv3 s LYS 3 CO 0.00 -0.13 0.09 -1.17 -0.36 0.00 0.00 175.35 173.79 1wv3 s LEU 4 N 1.58 3.87 -0.16 5.43 2.96 0.43 -0.85 118.68 131.94 1wv3 s LEU 4 Ca 0.07 0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 1wv3 s LEU 4 Cb -0.15 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1wv3 s LEU 4 CO 0.09 0.12 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.60 1wv3 s ILE 5 N 0.71 4.21 -0.15 6.68 -1.09 0.11 -1.36 121.20 130.31 1wv3 s ILE 5 Ca 0.05 -0.25 -0.00 0.00 -2.23 0.00 0.00 60.65 58.22 1wv3 s ILE 5 Cb -0.13 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.89 1wv3 s ILE 5 CO 0.02 0.49 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.46 1wv3 s ILE 6 N 0.25 2.91 -0.07 2.92 1.01 0.19 -1.00 121.20 127.41 1wv3 s ILE 6 Ca -0.00 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.99 1wv3 s ILE 6 Cb -0.13 -2.24 -0.00 0.00 0.01 0.00 0.00 42.46 40.10 1wv3 s ILE 6 CO 0.02 0.51 -0.20 -0.75 0.00 0.00 0.00 174.94 174.52 1wv3 s LYS 7 N 0.68 2.29 -0.28 2.79 2.20 0.15 -0.72 119.74 126.85 1wv3 s LYS 7 Ca -0.07 -0.71 -0.10 0.00 -0.36 0.00 0.00 55.97 54.73 1wv3 s LYS 7 Cb -0.15 -1.87 0.12 0.00 -1.51 0.00 0.00 37.83 34.42 1wv3 s LYS 7 CO 0.02 0.21 0.61 -0.47 -0.36 0.00 0.00 175.35 175.36 1wv3 s TYR 8 N 0.20 -1.21 -1.46 4.03 6.14 -0.42 -1.00 117.35 123.61 1wv3 s TYR 8 Ca -0.10 2.16 -0.05 0.00 0.64 0.00 0.00 57.07 59.71 1wv3 s TYR 8 Cb -0.15 0.70 0.04 0.00 0.42 0.00 0.00 41.96 42.97 1wv3 s TYR 8 CO 0.05 -0.62 0.61 -1.71 0.64 0.00 0.00 175.55 174.52 1wv3 n ASN 9 N 5.31 -1.63 0.00 4.32 4.05 -1.26 -0.31 115.26 125.74 1wv3 n ASN 9 Ca -0.12 -0.94 0.00 0.00 0.45 0.00 0.00 54.58 53.96 1wv3 n ASN 9 Cb 0.50 -3.29 0.00 0.00 1.23 0.00 0.00 39.78 38.22 1wv3 n ASN 9 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1wv3 n LYS 10 N -4.42 -1.06 -3.45 1.20 5.02 -1.26 -4.99 118.16 109.20 1wv3 n LYS 10 Ca -0.19 0.26 -0.35 0.00 -2.02 0.00 0.00 58.31 56.02 1wv3 n LYS 10 Cb 0.63 -4.24 -0.06 0.00 -0.02 0.00 0.00 35.03 31.34 1wv3 n LYS 10 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wv3 s GLN 11 N -1.21 3.87 -0.03 1.97 -1.52 0.57 -4.79 119.66 118.53 1wv3 s GLN 11 Ca 0.00 0.34 0.02 0.00 -1.95 0.00 0.00 55.36 53.77 1wv3 s GLN 11 Cb 0.00 -2.94 0.01 0.00 -0.22 0.00 0.00 33.01 29.86 1wv3 s GLN 11 CO 0.00 0.50 -0.09 -1.17 -0.25 0.00 0.00 175.29 174.27 1wv3 s LEU 12 N -2.01 1.74 0.00 2.90 2.96 -1.26 -1.31 118.68 121.70 1wv3 s LEU 12 Ca 0.37 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1wv3 s LEU 12 Cb -0.14 -0.60 0.00 0.00 0.50 0.00 0.00 46.19 45.95 1wv3 s LEU 12 CO 0.19 0.06 0.00 0.29 -1.32 0.00 0.00 176.35 175.57 1wv3 n LYS 13 N 3.39 0.68 -3.65 1.98 4.76 0.11 -4.82 118.16 120.60 1wv3 n LYS 13 Ca -0.19 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.23 1wv3 n LYS 13 Cb 0.54 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.66 1wv3 n LYS 13 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wv3 s LEU 15 N 0.00 -0.13 -0.50 -0.35 1.43 -0.46 -0.64 118.68 118.03 1wv3 s LEU 15 Ca 0.00 0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 1wv3 s LEU 15 Cb 0.00 1.22 0.07 0.00 0.03 0.00 0.00 46.19 47.51 1wv3 s LEU 15 CO 0.00 -0.04 0.56 0.20 0.23 0.00 0.00 176.35 177.31 1wv3 s ASN 16 N 0.51 6.20 0.00 2.29 0.01 -1.26 -0.43 114.94 122.26 1wv3 s ASN 16 Ca 0.00 -1.10 -0.30 0.00 -0.71 0.00 0.00 52.86 50.75 1wv3 s ASN 16 Cb -0.04 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 1wv3 s ASN 16 CO -0.13 -0.84 1.29 -0.76 -1.51 0.00 0.00 177.10 175.16 1wv3 s LEU 17 N 2.33 4.32 -0.07 0.60 1.43 0.34 -5.01 118.68 122.62 1wv3 s LEU 17 Ca 0.11 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.24 1wv3 s LEU 17 Cb -0.21 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 1wv3 s LEU 17 CO 0.10 -0.62 -0.09 -0.13 0.23 0.00 0.00 176.35 175.83 1wv3 s ARG 18 N 1.98 2.73 -0.13 1.70 0.52 -1.26 -4.33 118.95 120.16 1wv3 s ARG 18 Ca 0.60 -0.60 -0.41 0.00 -0.52 0.00 0.00 55.73 54.81 1wv3 s ARG 18 Cb -0.29 -2.54 -0.18 0.00 0.52 0.00 0.00 34.95 32.46 1wv3 s ARG 18 CO 0.26 0.61 1.38 -3.47 0.02 0.00 0.00 175.30 174.10 1wv3 n ASP 19 N 2.36 1.14 0.00 0.23 4.64 -1.26 -1.53 116.55 122.12 1wv3 n ASP 19 Ca -0.18 1.14 0.00 0.00 -1.38 0.00 0.00 54.79 54.37 1wv3 n ASP 19 Cb 0.53 -1.02 0.00 0.00 -1.04 0.00 0.00 41.12 39.58 1wv3 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wv3 n GLY 20 N 2.80 1.22 3.97 0.27 0.00 -1.26 -5.04 105.19 107.17 1wv3 n GLY 20 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 1wv3 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wv3 s LYS 21 N -0.06 3.27 0.10 1.61 -0.14 -0.58 -5.06 119.74 118.88 1wv3 s LYS 21 Ca 0.00 -0.81 0.07 0.00 -1.36 0.00 0.00 55.97 53.88 1wv3 s LYS 21 Cb 0.00 -2.81 -0.03 0.00 -1.68 0.00 0.00 37.83 33.31 1wv3 s LYS 21 CO 0.00 0.17 -0.18 0.95 -0.76 0.00 0.00 175.35 175.53 1wv3 s THR 22 N -2.15 1.53 0.06 2.17 -4.23 -1.26 -4.59 115.64 107.17 1wv3 s THR 22 Ca 0.41 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1wv3 s THR 22 Cb -0.09 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 1wv3 s THR 22 CO 0.31 -0.16 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.90 1wv3 s TYR 23 N -1.36 0.58 -0.02 3.99 1.51 -0.52 -4.99 117.35 116.54 1wv3 s TYR 23 Ca 0.05 -1.07 0.03 0.00 -1.01 0.00 0.00 57.07 55.07 1wv3 s TYR 23 Cb -0.09 -0.41 -0.00 0.00 -0.11 0.00 0.00 41.96 41.35 1wv3 s TYR 23 CO 0.04 -0.37 -0.11 0.99 -1.11 0.00 0.00 175.55 174.99 1wv3 s THR 24 N -3.91 0.90 -0.19 -0.71 2.01 -1.26 -0.45 115.64 112.03 1wv3 s THR 24 Ca 0.09 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1wv3 s THR 24 Cb 0.08 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1wv3 s THR 24 CO -0.09 0.26 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.36 1wv3 s ILE 25 N -0.04 2.82 0.06 1.82 1.01 0.35 -2.00 121.20 125.22 1wv3 s ILE 25 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 1wv3 s ILE 25 Cb -0.07 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1wv3 s ILE 25 CO 0.00 0.48 0.19 -1.54 0.00 0.00 0.00 174.94 174.07 1wv3 n SER 26 N 4.55 -0.42 -0.00 3.58 3.41 -0.76 -0.63 113.62 123.35 1wv3 n SER 26 Ca -0.19 -1.26 0.13 0.00 -0.26 0.00 0.00 58.87 57.29 1wv3 n SER 26 Cb 0.51 0.69 0.47 0.00 -0.26 0.00 0.00 64.21 65.62 1wv3 n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wv3 n GLU 27 N -0.13 0.00 -2.17 4.33 1.02 -1.25 -1.20 120.64 121.24 1wv3 n GLU 27 Ca -0.01 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 1wv3 n GLU 27 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1wv3 n GLU 27 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wv3 s ASP 28 N -3.00 6.83 0.43 1.62 3.68 -1.26 -4.73 116.67 120.24 1wv3 s ASP 28 Ca 0.13 2.42 0.30 0.00 2.13 0.00 0.00 52.55 57.53 1wv3 s ASP 28 Cb 0.18 -2.60 1.36 0.00 -1.45 0.00 0.00 42.92 40.41 1wv3 s ASP 28 CO 0.60 -0.60 1.89 -0.33 0.13 0.00 0.00 175.17 176.86 1wv3 h GLU 29 N 5.81 0.00 -0.00 4.34 4.39 -1.96 -2.15 114.58 125.00 1wv3 h GLU 29 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1wv3 h GLU 29 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1wv3 h GLU 29 CO 0.81 0.00 -0.46 0.54 -1.16 0.00 0.00 179.01 178.73 1wv3 n ARG 30 N -2.65 0.33 -0.91 2.33 1.74 -1.26 -4.93 116.66 111.31 1wv3 n ARG 30 Ca 0.00 -0.21 -0.30 0.00 -0.77 0.00 0.00 57.85 56.57 1wv3 n ARG 30 Cb 0.20 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.29 1wv3 n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wv3 s ALA 31 N -2.81 1.48 0.31 7.54 0.00 -0.81 -4.90 121.76 122.56 1wv3 s ALA 31 Ca 0.16 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1wv3 s ALA 31 Cb 0.18 -3.34 0.49 0.00 0.00 0.00 0.00 23.12 20.45 1wv3 s ALA 31 CO 0.65 -2.55 1.90 -0.44 0.00 0.00 0.00 175.76 175.32 1wv3 h ASP 32 N -1.70 0.76 -3.31 0.00 3.32 -1.73 -3.40 116.42 110.36 1wv3 h ASP 32 Ca -0.46 -0.09 -0.45 0.00 0.02 0.00 0.00 57.03 56.05 1wv3 h ASP 32 Cb 1.27 -0.19 -0.36 0.00 0.22 0.00 0.00 39.33 40.26 1wv3 h ASP 32 CO 0.47 0.67 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.25 1wv3 s ILE 33 N -5.43 0.59 -0.19 0.35 -1.09 -0.93 -5.02 121.20 109.48 1wv3 s ILE 33 Ca -0.10 -0.06 -0.04 0.00 -2.23 0.00 0.00 60.65 58.22 1wv3 s ILE 33 Cb 0.16 -0.67 -0.02 0.00 -1.58 0.00 0.00 42.46 40.36 1wv3 s ILE 33 CO 0.79 0.28 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.85 1wv3 s THR 34 N 1.55 3.70 -0.11 2.92 2.01 -1.26 -1.82 115.64 122.62 1wv3 s THR 34 Ca -0.01 -0.40 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 1wv3 s THR 34 Cb -0.13 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.75 1wv3 s THR 34 CO -0.04 0.45 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.50 1wv3 s LEU 35 N 0.94 1.22 0.41 4.42 1.43 -0.34 -4.99 118.68 121.77 1wv3 s LEU 35 Ca 0.00 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 1wv3 s LEU 35 Cb -0.15 -0.85 -0.08 0.00 0.03 0.00 0.00 46.19 45.14 1wv3 s LEU 35 CO 0.01 -0.11 1.19 -1.59 0.23 0.00 0.00 176.35 176.08 1wv3 s LYS 36 N 1.66 3.99 -1.48 1.70 0.00 -1.26 -3.35 119.74 121.01 1wv3 s LYS 36 Ca 0.04 1.88 -0.11 0.00 0.00 0.00 0.00 55.97 57.78 1wv3 s LYS 36 Cb -0.13 -2.65 0.07 0.00 0.00 0.00 0.00 37.83 35.12 1wv3 s LYS 36 CO -0.08 -0.38 0.83 0.43 0.00 0.00 0.00 175.35 176.14 1wv3 n SER 37 N 0.00 -4.85 -0.02 0.03 7.64 -1.26 -4.88 113.62 110.28 1wv3 n SER 37 Ca 0.05 -0.61 -0.16 0.00 1.01 0.00 0.00 58.87 59.16 1wv3 n SER 37 Cb 0.46 -3.90 -0.10 0.00 -1.01 0.00 0.00 64.21 59.65 1wv3 n SER 37 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1wv3 h LEU 38 N -1.76 0.44 0.05 -3.43 5.85 -1.93 -3.39 115.31 111.15 1wv3 h LEU 38 Ca -0.54 -0.72 -0.02 0.00 0.84 0.00 0.00 57.88 57.44 1wv3 h LEU 38 Cb 1.35 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1wv3 h LEU 38 CO 0.62 1.10 -0.02 0.61 -0.34 0.00 0.00 178.44 180.41 1wv3 n GLY 39 N 0.92 0.48 3.25 3.75 0.00 -1.26 -1.59 105.19 110.74 1wv3 n GLY 39 Ca -0.09 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1wv3 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wv3 s GLU 40 N -0.94 0.97 -0.08 1.61 0.41 -1.26 -4.82 118.70 114.60 1wv3 s GLU 40 Ca 0.00 -1.14 0.02 0.00 -0.41 0.00 0.00 54.97 53.44 1wv3 s GLU 40 Cb 0.00 0.33 0.01 0.00 -1.78 0.00 0.00 34.13 32.69 1wv3 s GLU 40 CO 0.00 -0.32 -0.15 0.08 -0.49 0.00 0.00 175.26 174.38 1wv3 s VAL 41 N -3.94 1.34 -0.16 2.63 1.01 -1.26 -4.47 120.40 115.55 1wv3 s VAL 41 Ca 0.13 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1wv3 s VAL 41 Cb 0.05 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1wv3 s VAL 41 CO -0.04 0.40 -0.17 -0.63 0.00 0.00 0.00 175.10 174.66 1wv3 s ILE 42 N 0.68 1.80 -0.17 2.22 1.01 0.20 -4.97 121.20 121.97 1wv3 s ILE 42 Ca -0.14 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 1wv3 s ILE 42 Cb -0.16 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1wv3 s ILE 42 CO 0.04 0.50 0.23 -1.00 0.00 0.00 0.00 174.94 174.70 1wv3 s HIS 43 N 1.37 3.45 -0.20 3.97 3.76 -1.26 -0.50 115.29 125.88 1wv3 s HIS 43 Ca 0.04 0.50 -0.05 0.00 -0.15 0.00 0.00 55.06 55.40 1wv3 s HIS 43 Cb -0.13 -2.26 -0.02 0.00 1.11 0.00 0.00 32.58 31.28 1wv3 s HIS 43 CO -0.11 0.28 -0.00 -0.51 -0.85 0.00 0.00 174.74 173.55 1wv3 s LEU 44 N 0.34 3.22 0.13 0.89 1.43 0.40 -1.09 118.68 124.00 1wv3 s LEU 44 Ca 0.13 -0.22 -0.25 0.00 -1.03 0.00 0.00 54.13 52.76 1wv3 s LEU 44 Cb -0.12 -1.82 0.07 0.00 0.03 0.00 0.00 46.19 44.35 1wv3 s LEU 44 CO 0.02 0.05 0.75 -1.83 0.23 0.00 0.00 176.35 175.57 1wv3 s GLU 45 N 1.08 1.20 0.21 1.70 -1.05 -0.80 -1.44 118.70 119.60 1wv3 s GLU 45 Ca 0.02 -0.52 -0.13 0.00 -0.15 0.00 0.00 54.97 54.19 1wv3 s GLU 45 Cb -0.14 0.50 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 1wv3 s GLU 45 CO 0.01 -0.53 0.60 -0.65 0.95 0.00 0.00 175.26 175.64 1wv3 s GLN 46 N -3.52 3.94 0.42 -4.83 -0.21 -1.26 -0.80 119.66 113.40 1wv3 s GLN 46 Ca 0.05 0.48 -0.07 0.00 0.02 0.00 0.00 55.36 55.84 1wv3 s GLN 46 Cb -0.02 -2.74 0.10 0.00 1.00 0.00 0.00 33.01 31.34 1wv3 s GLN 46 CO -0.07 0.36 0.57 0.27 -2.12 0.00 0.00 175.29 174.30 1wv3 n ASN 47 N 0.27 0.06 0.06 5.90 6.94 -0.39 -4.85 115.26 123.25 1wv3 n ASN 47 Ca -0.02 -1.21 0.07 0.00 -0.02 0.00 0.00 54.58 53.40 1wv3 n ASN 47 Cb 0.52 -0.44 0.33 0.00 -2.36 0.00 0.00 39.78 37.83 1wv3 n ASN 47 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1wv3 n ASN 48 N -3.36 0.27 -1.12 0.53 0.23 -1.26 -1.47 115.26 109.08 1wv3 n ASN 48 Ca 0.07 0.59 0.09 0.00 -0.53 0.00 0.00 54.58 54.80 1wv3 n ASN 48 Cb 0.25 -0.64 0.27 0.00 -2.08 0.00 0.00 39.78 37.58 1wv3 n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wv3 n GLN 49 N -1.83 2.96 -0.83 -3.83 6.02 -1.26 -4.95 117.38 113.65 1wv3 n GLN 49 Ca 0.01 -2.50 0.00 0.00 -0.01 0.00 0.00 57.00 54.50 1wv3 n GLN 49 Cb 0.12 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.84 1wv3 n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wv3 n GLY 50 N 1.06 0.64 3.71 1.08 0.00 -0.54 -5.03 105.19 106.11 1wv3 n GLY 50 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1wv3 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wv3 s THR 51 N -2.30 4.88 0.14 2.61 2.01 -1.26 -4.74 115.64 116.97 1wv3 s THR 51 Ca 0.00 2.00 -0.31 0.00 0.31 0.00 0.00 61.69 63.70 1wv3 s THR 51 Cb 0.00 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 1wv3 s THR 51 CO 0.00 0.15 1.34 0.26 -0.69 0.00 0.00 174.62 175.68 1wv3 s TRP 52 N 1.09 3.27 0.09 4.92 0.52 -1.26 -1.27 118.94 126.31 1wv3 s TRP 52 Ca 0.50 1.09 0.05 0.00 0.02 0.00 0.00 56.10 57.76 1wv3 s TRP 52 Cb -0.20 -3.62 -0.03 0.00 -1.15 0.00 0.00 33.47 28.46 1wv3 s TRP 52 CO 0.26 -2.07 -0.13 -0.65 0.02 0.00 0.00 176.95 174.38 1wv3 s GLN 53 N 0.68 0.89 -0.25 4.98 -0.21 0.02 -1.87 119.66 123.88 1wv3 s GLN 53 Ca 0.61 -1.08 -0.02 0.00 0.02 0.00 0.00 55.36 54.89 1wv3 s GLN 53 Cb -0.36 -0.79 0.02 0.00 1.00 0.00 0.00 33.01 32.88 1wv3 s GLN 53 CO 0.33 0.16 -0.05 0.00 -2.12 0.00 0.00 175.29 173.61 1wv3 s ALA 54 N -1.77 2.73 -1.43 6.09 0.00 -0.06 -1.91 121.76 125.41 1wv3 s ALA 54 Ca 0.03 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.50 1wv3 s ALA 54 Cb -0.07 -1.73 0.02 0.00 0.00 0.00 0.00 23.12 21.35 1wv3 s ALA 54 CO 0.02 -0.82 0.53 0.09 0.00 0.00 0.00 175.76 175.58 1wv3 n ASN 55 N 4.68 -0.99 -0.54 0.00 3.02 -0.25 -1.51 115.26 119.67 1wv3 n ASN 55 Ca -0.16 -0.97 -0.07 0.00 -0.03 0.00 0.00 54.58 53.35 1wv3 n ASN 55 Cb 0.47 -3.22 -0.03 0.00 -0.61 0.00 0.00 39.78 36.40 1wv3 n ASN 55 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1wv3 n HIS 56 N -4.40 0.00 -4.23 3.10 8.25 -1.26 -5.00 115.22 111.68 1wv3 n HIS 56 Ca -0.25 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.87 1wv3 n HIS 56 Cb 0.66 -1.82 -0.15 0.00 1.12 0.00 0.00 29.99 29.80 1wv3 n HIS 56 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1wv3 s THR 57 N -2.00 2.97 0.24 1.59 2.01 -0.57 -5.04 115.64 114.85 1wv3 s THR 57 Ca 0.00 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 1wv3 s THR 57 Cb 0.00 -2.30 -0.12 0.00 0.01 0.00 0.00 72.50 70.09 1wv3 s THR 57 CO 0.00 0.48 1.64 -1.20 -0.69 0.00 0.00 174.62 174.85 1wv3 n SER 58 N 4.37 3.75 0.02 3.53 7.64 -1.26 -0.88 113.62 130.79 1wv3 n SER 58 Ca -0.19 1.10 -0.19 0.00 1.01 0.00 0.00 58.87 60.61 1wv3 n SER 58 Cb 0.51 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.04 1wv3 n SER 58 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1wv3 h ILE 59 N 3.55 1.42 0.00 0.44 2.04 -1.73 -3.47 117.51 119.76 1wv3 h ILE 59 Ca -0.45 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.20 1wv3 h ILE 59 Cb 1.22 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 1wv3 h ILE 59 CO 0.87 0.65 0.00 0.59 0.00 0.00 0.00 178.15 180.26 1wv3 n ASN 60 N -4.13 0.00 -0.07 1.72 3.02 -1.26 -3.01 115.26 111.52 1wv3 n ASN 60 Ca -0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.31 1wv3 n ASN 60 Cb 0.75 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.81 1wv3 n ASN 60 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1wv3 h LYS 61 N 0.00 0.00 -3.24 3.52 1.57 -1.93 -3.38 116.57 113.11 1wv3 h LYS 61 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1wv3 h LYS 61 Cb 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.05 1wv3 h LYS 61 CO 0.00 0.83 -0.47 0.08 -0.57 0.00 0.00 179.45 179.32 1wv3 s VAL 62 N -2.13 0.01 -0.02 0.50 1.01 -1.17 -1.26 120.40 117.34 1wv3 s VAL 62 Ca -0.17 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1wv3 s VAL 62 Cb -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1wv3 s VAL 62 CO 0.57 -0.03 -0.07 -0.22 0.00 0.00 0.00 175.10 175.35 1wv3 s LEU 63 N 0.00 1.83 -0.06 3.92 0.20 -0.14 -4.98 118.68 119.46 1wv3 s LEU 63 Ca -0.01 -0.14 0.04 0.00 0.69 0.00 0.00 54.13 54.71 1wv3 s LEU 63 Cb -0.02 -0.42 -0.00 0.00 -0.43 0.00 0.00 46.19 45.32 1wv3 s LEU 63 CO 0.00 0.06 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.24 1wv3 s VAL 64 N 0.12 1.58 -0.05 1.68 1.01 -1.26 -0.71 120.40 122.77 1wv3 s VAL 64 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1wv3 s VAL 64 Cb -0.06 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1wv3 s VAL 64 CO -0.00 0.45 -0.06 -0.60 0.00 0.00 0.00 175.10 174.89 1wv3 s ARG 65 N 0.19 0.98 0.27 2.72 3.52 -0.50 -4.96 118.95 121.19 1wv3 s ARG 65 Ca -0.09 -0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 1wv3 s ARG 65 Cb -0.14 -0.94 -0.10 0.00 -1.56 0.00 0.00 34.95 32.21 1wv3 s ARG 65 CO 0.04 -0.06 1.41 0.15 -0.81 0.00 0.00 175.30 176.02 1wv3 s LYS 66 N 0.88 4.28 0.08 5.12 1.02 -1.26 -0.40 119.74 129.45 1wv3 s LYS 66 Ca -0.12 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.17 1wv3 s LYS 66 Cb -0.15 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1wv3 s LYS 66 CO 0.01 -0.37 0.01 0.41 -0.92 0.00 0.00 175.35 174.49 1wv3 n GLY 67 N 1.78 3.88 0.19 -3.33 0.00 0.15 -4.84 105.19 103.02 1wv3 n GLY 67 Ca 0.05 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 1wv3 n GLY 67 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wv3 h ASP 68 N 0.17 0.51 -0.01 1.61 3.32 -1.49 -3.34 116.42 117.20 1wv3 h ASP 68 Ca -0.06 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1wv3 h ASP 68 Cb 0.20 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1wv3 h ASP 68 CO 0.10 0.42 -0.16 0.18 -1.72 0.00 0.00 179.24 178.07 1wv3 n LEU 69 N -4.74 1.23 -3.86 1.55 4.77 -1.26 -5.07 117.00 109.62 1wv3 n LEU 69 Ca 0.01 -0.80 0.03 0.00 -0.03 0.00 0.00 56.01 55.21 1wv3 n LEU 69 Cb 0.06 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1wv3 n LEU 69 CO 0.35 0.25 1.10 -0.62 -1.33 0.00 0.00 177.39 177.15 1wv3 s ASP 70 N -1.19 -0.01 0.52 -1.43 3.68 -1.25 -4.87 116.67 112.12 1wv3 s ASP 70 Ca 0.08 -0.16 -0.17 0.00 2.13 0.00 0.00 52.55 54.42 1wv3 s ASP 70 Cb 0.07 0.13 -0.07 0.00 -1.45 0.00 0.00 42.92 41.60 1wv3 s ASP 70 CO 0.21 -0.26 1.01 -1.81 0.13 0.00 0.00 175.17 174.45 1wv3 s ASP 71 N -3.53 6.41 -0.23 -0.34 -0.00 -1.26 -0.67 116.67 117.03 1wv3 s ASP 71 Ca 0.24 1.70 -0.06 0.00 -0.00 0.00 0.00 52.55 54.44 1wv3 s ASP 71 Cb 0.02 -2.53 -0.02 0.00 -0.00 0.00 0.00 42.92 40.39 1wv3 s ASP 71 CO -0.02 -0.74 0.02 -0.63 -0.00 0.00 0.00 175.17 173.80 1wv3 s ILE 72 N -2.43 3.92 -0.16 0.77 1.01 0.46 -4.39 121.20 120.39 1wv3 s ILE 72 Ca 0.62 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.94 1wv3 s ILE 72 Cb -0.12 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 1wv3 s ILE 72 CO 0.29 0.38 -0.07 -0.89 0.00 0.00 0.00 174.94 174.64 1wv3 s THR 73 N 1.52 3.47 -0.20 2.92 2.01 -0.17 -1.41 115.64 123.77 1wv3 s THR 73 Ca 0.06 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1wv3 s THR 73 Cb -0.15 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1wv3 s THR 73 CO 0.01 0.49 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.60 1wv3 s LEU 74 N 0.56 2.80 -0.16 4.42 1.02 0.11 -0.67 118.68 126.75 1wv3 s LEU 74 Ca -0.05 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 53.71 1wv3 s LEU 74 Cb -0.15 -1.70 0.02 0.00 0.02 0.00 0.00 46.19 44.38 1wv3 s LEU 74 CO 0.03 0.01 -0.21 -1.58 0.02 0.00 0.00 176.35 174.62 1wv3 s GLN 75 N 1.29 2.96 -0.23 1.70 0.74 -0.17 -0.97 119.66 124.99 1wv3 s GLN 75 Ca 0.03 -0.83 -0.06 0.00 0.05 0.00 0.00 55.36 54.56 1wv3 s GLN 75 Cb -0.14 -2.48 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 1wv3 s GLN 75 CO -0.03 -0.13 0.02 -1.17 -0.55 0.00 0.00 175.29 173.43 1wv3 s LEU 76 N 1.09 3.22 0.03 3.68 2.96 -0.39 -0.71 118.68 128.57 1wv3 s LEU 76 Ca -0.00 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1wv3 s LEU 76 Cb -0.14 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1wv3 s LEU 76 CO -0.08 -0.00 0.00 -0.31 -1.32 0.00 0.00 176.35 174.64 1wv3 s TYR 77 N 1.40 3.04 0.39 5.38 1.51 -0.03 -4.69 117.35 124.35 1wv3 s TYR 77 Ca 0.05 0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.19 1wv3 s TYR 77 Cb -0.15 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1wv3 s TYR 77 CO 0.01 0.47 0.13 0.95 -1.11 0.00 0.00 175.55 175.99 1wv3 s THR 78 N -1.17 0.63 0.65 -0.71 -4.23 -1.26 -1.18 115.64 108.37 1wv3 s THR 78 Ca 0.22 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.11 1wv3 s THR 78 Cb -0.12 -2.41 0.39 0.00 1.34 0.00 0.00 72.50 71.71 1wv3 s THR 78 CO 0.13 0.00 2.20 1.05 -0.54 0.00 0.00 174.62 177.47 1wv3 h GLU 79 N 1.85 0.00 0.00 3.99 9.09 -2.00 0.11 114.58 127.62 1wv3 h GLU 79 Ca -0.36 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.04 1wv3 h GLU 79 Cb 1.27 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1wv3 h GLU 79 CO 0.57 0.00 -0.07 0.00 0.05 0.00 0.00 179.01 179.57 1wv3 h ALA 80 N 1.78 1.14 -0.06 1.06 0.00 -1.99 -2.16 119.26 119.03 1wv3 h ALA 80 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wv3 h ALA 80 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wv3 h ALA 80 CO -0.00 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.09 1wv3 n ASP 81 N -3.38 2.35 -4.79 0.00 8.00 0.37 -4.96 116.55 114.14 1wv3 n ASP 81 Ca -0.01 -1.78 -0.39 0.00 0.71 0.00 0.00 54.79 53.32 1wv3 n ASP 81 Cb 0.23 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 1wv3 n ASP 81 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1wv3 s TYR 82 N -1.94 3.75 0.07 1.24 5.04 -0.82 -1.13 117.35 123.56 1wv3 s TYR 82 Ca 0.33 1.24 -0.17 0.00 -2.44 0.00 0.00 57.07 56.03 1wv3 s TYR 82 Cb 0.20 -2.54 0.03 0.00 0.35 0.00 0.00 41.96 40.01 1wv3 s TYR 82 CO 0.31 0.49 0.39 0.00 -1.34 0.00 0.00 175.55 175.40 1wv3 s ALA 83 N -0.72 -0.91 -0.04 3.97 0.00 -0.39 -4.99 121.76 118.67 1wv3 s ALA 83 Ca 0.30 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1wv3 s ALA 83 Cb -0.19 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1wv3 s ALA 83 CO 0.18 -0.51 -0.11 -1.12 0.00 0.00 0.00 175.76 174.20 1wv3 s SER 84 N -2.27 1.52 -0.04 0.00 0.01 -1.26 0.34 113.70 111.99 1wv3 s SER 84 Ca -0.02 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.03 1wv3 s SER 84 Cb 0.00 -0.49 -0.00 0.00 0.21 0.00 0.00 66.02 65.74 1wv3 s SER 84 CO -0.06 0.07 -0.15 -0.36 0.41 0.00 0.00 173.24 173.16 1wv3 s PHE 85 N 0.29 1.49 0.31 2.43 0.08 -0.01 0.11 117.98 122.69 1wv3 s PHE 85 Ca -0.06 -0.43 -0.27 0.00 0.12 0.00 0.00 56.93 56.30 1wv3 s PHE 85 Cb -0.11 -1.02 -0.10 0.00 -0.57 0.00 0.00 43.02 41.22 1wv3 s PHE 85 CO 0.01 -0.16 0.96 0.00 -0.10 0.00 0.00 175.22 175.94 1wv3 s ALA 86 N 0.12 3.24 0.67 5.36 0.00 -0.02 -0.87 121.76 130.26 1wv3 s ALA 86 Ca -0.04 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1wv3 s ALA 86 Cb -0.11 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1wv3 s ALA 86 CO 0.02 0.12 1.26 0.71 0.00 0.00 0.00 175.76 177.87 1wv3 s TYR 87 N -1.50 2.07 0.43 0.00 4.12 -0.87 -4.45 117.35 117.15 1wv3 s TYR 87 Ca 0.49 1.52 -0.25 0.00 0.02 0.00 0.00 57.07 58.85 1wv3 s TYR 87 Cb -0.21 -3.62 -0.10 0.00 -1.52 0.00 0.00 41.96 36.51 1wv3 s TYR 87 CO 0.27 -2.81 1.19 -2.30 0.02 0.00 0.00 175.55 171.92 1wv3 n PRO 88 N -2.14 1.72 -0.21 -1.71 -0.02 -1.26 -4.91 135.00 126.47 1wv3 n PRO 88 Ca 0.15 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1wv3 n PRO 88 Cb 0.49 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1wv3 n PRO 88 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1wv3 h SER 89 N 1.86 0.97 0.00 2.55 0.87 -2.00 -3.41 113.55 114.40 1wv3 h SER 89 Ca -0.47 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 59.82 1wv3 h SER 89 Cb 1.31 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1wv3 h SER 89 CO 0.59 1.00 -0.77 2.30 -0.53 0.00 0.00 176.83 179.42 1wv3 n ILE 90 N -4.28 0.00 -2.12 2.23 -5.35 -1.26 -5.05 119.36 103.53 1wv3 n ILE 90 Ca 0.03 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.17 1wv3 n ILE 90 Cb 0.29 -0.77 0.01 0.00 -1.74 0.00 0.00 39.64 37.44 1wv3 n ILE 90 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wv3 s GLN 91 N -1.77 3.22 -0.14 6.28 -2.07 -1.26 -4.94 119.66 118.98 1wv3 s GLN 91 Ca 0.00 1.51 0.16 0.00 -1.82 0.00 0.00 55.36 55.22 1wv3 s GLN 91 Cb 0.00 -2.00 0.65 0.00 -1.09 0.00 0.00 33.01 30.58 1wv3 s GLN 91 CO 0.00 -0.94 1.57 -3.47 -1.32 0.00 0.00 175.29 171.13 1wv3 n ASP 92 N -1.64 4.55 -1.94 12.60 -0.08 -1.26 -4.72 116.55 124.06 1wv3 n ASP 92 Ca 0.11 -2.61 -0.07 0.00 -1.51 0.00 0.00 54.79 50.72 1wv3 n ASP 92 Cb 0.51 -0.55 -0.02 0.00 2.34 0.00 0.00 41.12 43.40 1wv3 n ASP 92 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1wv3 n THR 93 N 0.62 0.00 -3.52 5.18 -2.24 -1.26 -2.54 114.28 110.51 1wv3 n THR 93 Ca 0.24 -0.74 -0.17 0.00 -2.27 0.00 0.00 64.05 61.11 1wv3 n THR 93 Cb 0.90 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 1wv3 n THR 93 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wv3 s THR 95 N -2.22 0.00 -0.12 4.28 -4.23 -1.26 -4.90 115.64 107.19 1wv3 s THR 95 Ca 0.09 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1wv3 s THR 95 Cb 0.00 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.88 1wv3 s THR 95 CO 0.07 -0.01 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.40 1wv3 s ILE 96 N -1.58 1.22 0.01 2.99 1.01 -0.72 -1.83 121.20 122.30 1wv3 s ILE 96 Ca -0.09 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 1wv3 s ILE 96 Cb -0.00 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 41.32 1wv3 s ILE 96 CO 0.06 0.40 0.48 0.61 0.00 0.00 0.00 174.94 176.49 1wv3 n GLY 97 N 4.71 0.62 0.29 6.18 0.00 -1.26 -0.84 105.19 114.88 1wv3 n GLY 97 Ca -0.15 -0.94 0.14 0.00 0.00 0.00 0.00 46.02 45.06 1wv3 n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wv3 n PRO 98 N -0.34 1.18 -2.98 1.61 -0.04 -1.22 -0.87 135.00 132.33 1wv3 n PRO 98 Ca 0.01 -0.59 -0.35 0.00 -0.04 0.00 0.00 63.50 62.54 1wv3 n PRO 98 Cb 0.23 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1wv3 n PRO 98 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wv3 s ASN 99 N -2.23 7.01 0.61 3.54 0.01 -1.26 -4.75 114.94 117.88 1wv3 s ASN 99 Ca 0.34 1.53 0.34 0.00 -0.71 0.00 0.00 52.86 54.36 1wv3 s ASN 99 Cb 0.20 -2.47 2.00 0.00 0.41 0.00 0.00 41.25 41.40 1wv3 s ASN 99 CO 0.42 -0.14 2.29 0.00 -1.51 0.00 0.00 177.10 178.16 1wv3 h ALA 100 N 2.71 1.37 -0.02 0.60 0.00 -2.02 -1.50 119.26 120.41 1wv3 h ALA 100 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wv3 h ALA 100 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wv3 h ALA 100 CO 0.64 0.00 -0.12 2.48 0.00 0.00 0.00 179.25 182.25 1wv3 n TYR 101 N -3.62 0.00 -2.38 0.00 0.18 -1.26 -4.93 117.16 105.16 1wv3 n TYR 101 Ca -0.03 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.40 1wv3 n TYR 101 Cb 0.08 -0.03 -0.01 0.00 -0.38 0.00 0.00 39.34 38.99 1wv3 n TYR 101 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1wv3 s ASP 102 N -2.19 6.02 0.00 9.48 -0.00 -0.57 -5.00 116.67 124.41 1wv3 s ASP 102 Ca 0.30 2.09 0.00 0.00 -0.00 0.00 0.00 52.55 54.94 1wv3 s ASP 102 Cb 0.20 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.55 1wv3 s ASP 102 CO 0.40 -1.01 0.19 0.47 -0.00 0.00 0.00 175.17 175.22 1wv3 n ASP 103 N -1.08 0.19 -3.39 0.27 8.00 -0.76 -4.87 116.55 114.92 1wv3 n ASP 103 Ca 0.10 -0.56 0.02 0.00 0.71 0.00 0.00 54.79 55.06 1wv3 n ASP 103 Cb 0.51 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 1wv3 n ASP 103 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wv3 s VAL 105 N -1.32 -0.53 -0.23 2.53 1.01 0.18 -3.06 120.40 118.98 1wv3 s VAL 105 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1wv3 s VAL 105 Cb 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.44 1wv3 s VAL 105 CO 0.00 0.00 -0.01 -0.63 0.00 0.00 0.00 175.10 174.46 1wv3 s ILE 106 N 2.52 1.16 0.56 2.22 1.01 -0.05 -1.42 121.20 127.20 1wv3 s ILE 106 Ca -0.02 -1.06 0.25 0.00 0.00 0.00 0.00 60.65 59.83 1wv3 s ILE 106 Cb -0.07 -1.56 0.35 0.00 0.01 0.00 0.00 42.46 41.19 1wv3 s ILE 106 CO -0.17 -0.21 2.08 1.56 0.00 0.00 0.00 174.94 178.20 1wv3 h GLN 107 N 8.05 0.00 0.00 2.79 7.50 -1.81 -2.48 115.11 129.15 1wv3 h GLN 107 Ca -0.16 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.99 1wv3 h GLN 107 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.61 1wv3 h GLN 107 CO 0.40 0.00 0.00 -1.13 -1.50 0.00 0.00 178.83 176.60 1wv3 n SER 108 N -4.14 0.67 -2.27 1.46 3.41 -1.26 -4.87 113.62 106.62 1wv3 n SER 108 Ca 0.03 0.63 -0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1wv3 n SER 108 Cb 0.37 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1wv3 n SER 108 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wv3 n LEU 109 N -2.20 0.00 -4.23 1.04 4.32 -0.94 -5.06 117.00 109.94 1wv3 n LEU 109 Ca 0.03 -0.01 -0.36 0.00 -0.02 0.00 0.00 56.01 55.65 1wv3 n LEU 109 Cb 0.29 -0.01 0.05 0.00 -1.62 0.00 0.00 43.42 42.14 1wv3 n LEU 109 CO 0.23 -0.77 -0.67 0.59 -1.22 0.00 0.00 177.39 175.55 1wv3 n ASN 111 N -3.01 -3.79 -4.93 -1.43 4.13 -1.26 -4.28 115.26 100.69 1wv3 n ASN 111 Ca 0.00 0.40 -0.25 0.00 1.68 0.00 0.00 54.58 56.41 1wv3 n ASN 111 Cb 0.00 -0.95 -0.02 0.00 -1.54 0.00 0.00 39.78 37.27 1wv3 n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wv3 s ALA 112 N -2.04 3.68 0.23 5.41 0.00 -1.26 -4.68 121.76 123.10 1wv3 s ALA 112 Ca 0.52 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.76 1wv3 s ALA 112 Cb -0.29 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 1wv3 s ALA 112 CO 0.71 0.06 -0.14 0.96 0.00 0.00 0.00 175.76 177.35 1wv3 s ILE 113 N -2.25 1.87 -0.07 0.00 -4.36 -0.02 -4.71 121.20 111.67 1wv3 s ILE 113 Ca 0.41 -2.24 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 1wv3 s ILE 113 Cb -0.10 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 41.42 1wv3 s ILE 113 CO 0.35 -0.51 -0.16 -0.63 0.24 0.00 0.00 174.94 174.23 1wv3 s ILE 114 N -2.88 2.85 -0.15 8.37 1.01 -0.36 -1.76 121.20 128.28 1wv3 s ILE 114 Ca 0.25 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1wv3 s ILE 114 Cb -0.01 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1wv3 s ILE 114 CO 0.09 0.57 -0.17 -0.63 0.00 0.00 0.00 174.94 174.80 1wv3 s ILE 115 N -0.42 2.47 0.24 2.92 -1.09 -1.26 -0.44 121.20 123.62 1wv3 s ILE 115 Ca 0.05 -0.84 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1wv3 s ILE 115 Cb -0.12 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 1wv3 s ILE 115 CO 0.02 0.53 0.18 -1.59 -1.23 0.00 0.00 174.94 172.85 1wv3 s LYS 116 N 0.80 1.37 -1.13 2.79 -2.85 0.10 -4.42 119.74 116.40 1wv3 s LYS 116 Ca -0.06 -1.74 0.00 0.00 -1.00 0.00 0.00 55.97 53.17 1wv3 s LYS 116 Cb -0.15 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 35.91 1wv3 s LYS 116 CO -0.00 -0.47 0.00 -0.25 0.10 0.00 0.00 175.35 174.72 1wv3 n ASP 117 N -0.66 -4.38 0.13 0.03 8.00 -1.05 -1.27 116.55 117.35 1wv3 n ASP 117 Ca 0.04 0.26 0.13 0.00 0.71 0.00 0.00 54.79 55.93 1wv3 n ASP 117 Cb 0.65 -2.81 0.44 0.00 -0.02 0.00 0.00 41.12 39.37 1wv3 n ASP 117 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1wv3 h PHE 118 N 0.00 0.00 0.00 1.24 -0.00 -1.84 -3.12 116.94 113.22 1wv3 h PHE 118 Ca -0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.73 1wv3 h PHE 118 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.67 1wv3 h PHE 118 CO 0.32 0.00 -0.11 1.96 -0.00 0.00 0.00 178.31 180.48 1wv3 h GLN 119 N 0.00 0.00 -0.29 6.09 1.08 -1.90 -2.03 115.11 118.06 1wv3 h GLN 119 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wv3 h GLN 119 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1wv3 h GLN 119 CO 0.00 0.11 0.00 -1.13 -0.95 0.00 0.00 178.83 176.86 1wv3 n SER 120 N -3.88 4.03 0.04 1.46 3.41 -1.18 -4.69 113.62 112.82 1wv3 n SER 120 Ca -0.02 -2.98 0.03 0.00 -0.26 0.00 0.00 58.87 55.63 1wv3 n SER 120 Cb 0.20 -0.55 0.41 0.00 -0.26 0.00 0.00 64.21 64.01 1wv3 n SER 120 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1wv3 h ILE 121 N 2.01 1.13 -0.44 -1.33 2.10 -1.45 -1.32 117.51 118.20 1wv3 h ILE 121 Ca 0.00 -0.39 0.07 0.00 1.08 0.00 0.00 64.86 65.61 1wv3 h ILE 121 Cb 1.48 0.75 -0.02 0.00 -1.09 0.00 0.00 36.82 37.93 1wv3 h ILE 121 CO 0.24 0.15 0.30 1.56 -1.08 0.00 0.00 178.15 179.32 1wv3 h GLN 122 N 0.45 0.31 0.06 2.19 1.08 -1.83 0.30 115.11 117.66 1wv3 h GLN 122 Ca 0.11 -0.02 -0.32 0.00 -1.45 0.00 0.00 58.65 56.97 1wv3 h GLN 122 Cb 0.09 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1wv3 h GLN 122 CO -0.01 0.21 -1.78 0.39 -0.95 0.00 0.00 178.83 176.69 1wv3 n GLU 123 N -4.47 0.67 0.05 1.46 4.71 -0.79 -4.51 120.64 117.76 1wv3 n GLU 123 Ca 0.06 0.38 -0.07 0.00 -0.01 0.00 0.00 57.16 57.52 1wv3 n GLU 123 Cb 0.28 -1.70 -0.12 0.00 -1.01 0.00 0.00 31.44 28.89 1wv3 n GLU 123 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1wv3 h SER 124 N -0.42 0.01 -0.02 1.62 4.64 -1.18 -3.48 113.55 114.71 1wv3 h SER 124 Ca -0.42 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1wv3 h SER 124 Cb 1.72 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.80 1wv3 h SER 124 CO -0.07 1.01 -0.01 0.00 -0.87 0.00 0.00 176.83 176.88 1wv3 n GLN 125 N -3.32 -0.47 -4.01 4.77 1.13 0.10 -5.00 117.38 110.59 1wv3 n GLN 125 Ca -0.02 0.18 -0.10 0.00 -1.94 0.00 0.00 57.00 55.12 1wv3 n GLN 125 Cb 0.95 -3.58 -0.07 0.00 0.11 0.00 0.00 30.24 27.66 1wv3 n GLN 125 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1wv3 s TYR 126 N -1.80 0.51 0.32 1.08 1.13 -1.26 -0.63 117.35 116.70 1wv3 s TYR 126 Ca 0.00 -0.86 0.05 0.00 -1.41 0.00 0.00 57.07 54.85 1wv3 s TYR 126 Cb 0.00 -0.11 -0.06 0.00 -1.10 0.00 0.00 41.96 40.69 1wv3 s TYR 126 CO 0.00 -0.74 0.02 0.14 -2.51 0.00 0.00 175.55 172.47 1wv3 s VAL 127 N -4.00 1.36 -0.04 -3.49 -7.23 -0.15 -4.55 120.40 102.29 1wv3 s VAL 127 Ca 0.21 -2.03 0.06 0.00 -1.81 0.00 0.00 61.98 58.41 1wv3 s VAL 127 Cb 0.03 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1wv3 s VAL 127 CO 0.03 -0.09 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.40 1wv3 s ARG 128 N -3.84 2.32 -0.11 4.82 0.52 -0.39 -0.52 118.95 121.75 1wv3 s ARG 128 Ca 0.34 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 1wv3 s ARG 128 Cb 0.08 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 1wv3 s ARG 128 CO 0.14 0.59 -0.13 -1.50 0.02 0.00 0.00 175.30 174.43 1wv3 s ILE 129 N -0.68 3.08 -0.10 1.52 2.07 0.44 -0.72 121.20 126.82 1wv3 s ILE 129 Ca 0.11 -0.67 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 1wv3 s ILE 129 Cb -0.10 -2.28 -0.01 0.00 0.13 0.00 0.00 42.46 40.20 1wv3 s ILE 129 CO -0.00 0.54 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.69 1wv3 s VAL 130 N 0.09 2.56 0.11 4.00 1.01 0.42 -1.02 120.40 127.57 1wv3 s VAL 130 Ca -0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1wv3 s VAL 130 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1wv3 s VAL 130 CO 0.04 0.55 0.02 -1.38 0.00 0.00 0.00 175.10 174.34 1wv3 s HIS 131 N 0.11 0.78 0.72 5.22 -3.43 -0.40 -1.22 115.29 117.08 1wv3 s HIS 131 Ca -0.09 -1.16 -0.06 0.00 -0.80 0.00 0.00 55.06 52.95 1wv3 s HIS 131 Cb -0.15 -0.47 0.08 0.00 -1.43 0.00 0.00 32.58 30.61 1wv3 s HIS 131 CO 0.06 -0.45 1.02 0.16 -2.00 0.00 0.00 174.74 173.53 1wv3 s ASP 132 N -3.02 4.61 0.17 7.38 1.47 -1.26 -4.73 116.67 121.29 1wv3 s ASP 132 Ca 0.18 0.28 0.18 0.00 1.18 0.00 0.00 52.55 54.37 1wv3 s ASP 132 Cb 0.07 -0.85 0.80 0.00 -0.34 0.00 0.00 42.92 42.60 1wv3 s ASP 132 CO -0.02 -1.71 1.54 2.29 0.68 0.00 0.00 175.17 177.95 1wv3 n LYS 133 N -2.95 0.11 -0.23 2.11 2.85 -1.26 -2.07 118.16 116.72 1wv3 n LYS 133 Ca 0.10 0.44 0.12 0.00 -1.05 0.00 0.00 58.31 57.91 1wv3 n LYS 133 Cb 0.60 -1.75 0.25 0.00 -0.65 0.00 0.00 35.03 33.48 1wv3 n LYS 133 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wv3 n ASN 134 N -1.96 3.56 -4.18 -5.58 5.03 -1.26 -4.88 115.26 105.99 1wv3 n ASN 134 Ca 0.01 -1.99 -0.33 0.00 0.87 0.00 0.00 54.58 53.14 1wv3 n ASN 134 Cb 0.14 -0.31 -0.16 0.00 -1.02 0.00 0.00 39.78 38.44 1wv3 n ASN 134 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1wv3 s THR 135 N -1.39 2.40 -0.13 3.41 2.01 -0.88 -5.06 115.64 116.01 1wv3 s THR 135 Ca 0.41 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 1wv3 s THR 135 Cb 0.23 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1wv3 s THR 135 CO 0.32 0.51 0.83 -1.81 -0.69 0.00 0.00 174.62 173.78 1wv3 s ASP 136 N 1.25 7.02 -0.07 3.53 1.01 -1.26 -4.73 116.67 123.42 1wv3 s ASP 136 Ca 0.03 1.24 0.04 0.00 0.71 0.00 0.00 52.55 54.58 1wv3 s ASP 136 Cb -0.14 -2.46 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 1wv3 s ASP 136 CO -0.09 -0.33 -0.21 -0.69 0.21 0.00 0.00 175.17 174.06 1wv3 s VAL 137 N 1.78 1.78 -0.05 -1.27 1.01 -1.26 -4.34 120.40 118.04 1wv3 s VAL 137 Ca 0.40 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1wv3 s VAL 137 Cb -0.17 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1wv3 s VAL 137 CO 0.15 0.50 -0.19 -0.31 0.00 0.00 0.00 175.10 175.25 1wv3 s TYR 138 N 0.17 2.58 -0.15 5.22 1.51 -0.29 -0.84 117.35 125.54 1wv3 s TYR 138 Ca -0.10 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1wv3 s TYR 138 Cb -0.15 -1.60 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1wv3 s TYR 138 CO 0.05 0.05 -0.16 0.42 -1.11 0.00 0.00 175.55 174.81 1wv3 s ILE 139 N -0.57 1.68 -1.48 2.71 1.01 -0.64 -0.87 121.20 123.05 1wv3 s ILE 139 Ca 0.08 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 1wv3 s ILE 139 Cb -0.11 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.86 1wv3 s ILE 139 CO 0.01 0.48 0.88 0.59 0.00 0.00 0.00 174.94 176.89 1wv3 n ASN 140 N 4.72 -3.60 -1.69 3.58 3.02 0.97 -2.00 115.26 120.27 1wv3 n ASN 140 Ca -0.18 -0.81 -0.17 0.00 -0.03 0.00 0.00 54.58 53.38 1wv3 n ASN 140 Cb 0.50 -3.83 -0.04 0.00 -0.61 0.00 0.00 39.78 35.80 1wv3 n ASN 140 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1wv3 n TYR 141 N -4.56 -0.44 -4.77 3.10 4.01 -1.26 -5.00 117.16 108.24 1wv3 n TYR 141 Ca -0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.36 1wv3 n TYR 141 Cb 0.57 -3.26 -0.16 0.00 -0.31 0.00 0.00 39.34 36.18 1wv3 n TYR 141 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1wv3 s GLU 142 N -4.22 3.06 0.20 -0.72 2.12 -0.84 -4.42 118.70 113.88 1wv3 s GLU 142 Ca 0.00 -0.84 -0.31 0.00 0.36 0.00 0.00 54.97 54.17 1wv3 s GLU 142 Cb 0.00 -2.43 -0.11 0.00 0.26 0.00 0.00 34.13 31.85 1wv3 s GLU 142 CO 0.00 0.03 1.60 -1.17 -0.54 0.00 0.00 175.26 175.19 1wv3 s LEU 143 N 0.71 4.37 0.11 2.70 2.96 -1.26 -1.62 118.68 126.64 1wv3 s LEU 143 Ca -0.09 2.74 -0.21 0.00 -0.22 0.00 0.00 54.13 56.35 1wv3 s LEU 143 Cb -0.16 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.85 1wv3 s LEU 143 CO 0.01 -0.87 0.64 -1.10 -1.32 0.00 0.00 176.35 173.71 1wv3 s GLN 144 N 0.76 4.30 -0.18 1.98 -1.52 -0.02 -4.94 119.66 120.04 1wv3 s GLN 144 Ca 0.69 0.86 -0.19 0.00 -1.95 0.00 0.00 55.36 54.77 1wv3 s GLN 144 Cb -0.46 -3.22 -0.16 0.00 -0.22 0.00 0.00 33.01 28.95 1wv3 s GLN 144 CO 0.35 0.61 0.21 0.93 -0.25 0.00 0.00 175.29 177.13 1wv3 h GLU 145 N 4.40 0.00 -7.20 2.91 4.39 -1.94 -3.44 114.58 113.70 1wv3 h GLU 145 Ca -0.49 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.70 1wv3 h GLU 145 Cb 1.21 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.96 1wv3 h GLU 145 CO 0.64 0.76 0.37 -0.65 -1.16 0.00 0.00 179.01 178.98 1wv3 s GLN 146 N -2.28 2.82 0.36 2.33 -0.21 -1.26 -4.96 119.66 116.46 1wv3 s GLN 146 Ca -0.23 1.38 0.19 0.00 0.02 0.00 0.00 55.36 56.71 1wv3 s GLN 146 Cb 0.04 -1.95 0.55 0.00 1.00 0.00 0.00 33.01 32.64 1wv3 s GLN 146 CO 0.51 -1.23 1.67 -0.07 -2.12 0.00 0.00 175.29 174.04 1wv3 h LEU 147 N 0.04 0.00 -8.18 2.90 3.38 -1.93 -3.42 115.31 108.11 1wv3 h LEU 147 Ca -0.47 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.83 1wv3 h LEU 147 Cb 1.25 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.65 1wv3 h LEU 147 CO 0.54 0.39 -0.87 -0.89 0.09 0.00 0.00 178.44 177.70 1wv3 s THR 148 N -3.43 2.07 0.04 0.22 2.01 -1.26 -1.27 115.64 114.02 1wv3 s THR 148 Ca 0.01 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.09 1wv3 s THR 148 Cb 0.10 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 1wv3 s THR 148 CO 0.69 0.55 -0.14 0.20 -0.69 0.00 0.00 174.62 175.23 1wv3 s ASN 149 N 0.90 1.69 0.14 3.53 0.01 -0.18 -4.95 114.94 116.08 1wv3 s ASN 149 Ca -0.05 -0.45 -0.27 0.00 -0.71 0.00 0.00 52.86 51.39 1wv3 s ASN 149 Cb -0.15 -0.11 -0.07 0.00 0.41 0.00 0.00 41.25 41.32 1wv3 s ASN 149 CO -0.04 0.05 0.83 -0.54 -1.51 0.00 0.00 177.10 175.88 1wv3 s LYS 150 N -1.09 4.62 -0.21 -0.60 1.02 -1.26 -0.42 119.74 121.79 1wv3 s LYS 150 Ca 0.02 1.23 -0.01 0.00 0.02 0.00 0.00 55.97 57.23 1wv3 s LYS 150 Cb -0.08 -3.31 0.06 0.00 -0.52 0.00 0.00 37.83 33.98 1wv3 s LYS 150 CO 0.01 0.43 -0.02 0.00 -0.92 0.00 0.00 175.35 174.86 1wv3 s ALA 151 N -0.70 1.54 0.69 5.17 0.00 0.32 -4.94 121.76 123.85 1wv3 s ALA 151 Ca 0.39 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1wv3 s ALA 151 Cb -0.23 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1wv3 s ALA 151 CO 0.27 -1.14 1.09 0.71 0.00 0.00 0.00 175.76 176.69 1wv3 s TYR 152 N 1.60 3.36 0.21 0.00 1.51 -1.26 -0.98 117.35 121.79 1wv3 s TYR 152 Ca -0.03 1.09 -0.32 0.00 -1.01 0.00 0.00 57.07 56.80 1wv3 s TYR 152 Cb -0.18 -3.02 -0.13 0.00 -0.11 0.00 0.00 41.96 38.53 1wv3 s TYR 152 CO -0.07 -1.12 1.61 -0.89 -1.11 0.00 0.00 175.55 173.98 1wv3 n ILE 153 N -2.98 0.32 0.00 2.71 5.41 0.20 -1.08 119.36 123.95 1wv3 n ILE 153 Ca 0.07 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1wv3 n ILE 153 Cb 0.57 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 1wv3 n ILE 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wv3 n GLY 154 N 3.21 3.12 3.78 7.39 0.00 0.71 -5.00 105.19 118.40 1wv3 n GLY 154 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1wv3 n GLY 154 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wv3 s ASP 155 N -1.12 5.65 -0.12 1.61 -0.00 -0.24 -4.79 116.67 117.65 1wv3 s ASP 155 Ca 0.00 2.04 -0.00 0.00 -0.00 0.00 0.00 52.55 54.58 1wv3 s ASP 155 Cb 0.00 -2.56 -0.02 0.00 -0.00 0.00 0.00 42.92 40.34 1wv3 s ASP 155 CO 0.00 -1.26 -0.10 -1.00 -0.00 0.00 0.00 175.17 172.81 1wv3 s HIS 156 N -2.06 2.87 0.03 4.23 3.76 -1.26 -2.18 115.29 120.68 1wv3 s HIS 156 Ca 0.69 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 55.24 1wv3 s HIS 156 Cb -0.21 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.62 1wv3 s HIS 156 CO 0.31 -0.05 -0.10 0.42 -0.85 0.00 0.00 174.74 174.48 1wv3 s ILE 157 N 0.07 3.42 -0.04 0.60 1.01 0.59 -0.02 121.20 126.83 1wv3 s ILE 157 Ca -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1wv3 s ILE 157 Cb -0.14 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1wv3 s ILE 157 CO 0.04 0.32 -0.04 -0.47 0.00 0.00 0.00 174.94 174.78 1wv3 s TYR 158 N -1.03 0.73 -0.23 3.97 5.04 -0.05 -0.66 117.35 125.13 1wv3 s TYR 158 Ca 0.18 -0.20 -0.12 0.00 -2.44 0.00 0.00 57.07 54.49 1wv3 s TYR 158 Cb -0.11 -0.65 0.07 0.00 0.35 0.00 0.00 41.96 41.62 1wv3 s TYR 158 CO 0.09 -0.19 0.55 0.54 -1.34 0.00 0.00 175.55 175.20 1wv3 s VAL 159 N 0.90 -0.11 -1.52 3.14 0.11 -0.51 -1.14 120.40 121.28 1wv3 s VAL 159 Ca -0.11 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1wv3 s VAL 159 Cb -0.14 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1wv3 s VAL 159 CO 0.00 0.02 0.30 -0.62 -3.33 0.00 0.00 175.10 171.47 1wv3 n GLU 160 N 4.43 -2.23 -0.47 1.54 1.02 -1.26 -1.16 120.64 122.51 1wv3 n GLU 160 Ca -0.20 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1wv3 n GLU 160 Cb 0.56 -4.22 0.00 0.00 -0.02 0.00 0.00 31.44 27.76 1wv3 n GLU 160 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wv3 n GLY 161 N -2.12 1.41 3.44 0.62 0.00 -1.26 -4.77 105.19 102.51 1wv3 n GLY 161 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1wv3 n GLY 161 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wv3 s ILE 162 N -3.23 2.65 -0.10 -0.61 -4.36 -0.31 -4.71 121.20 110.52 1wv3 s ILE 162 Ca 0.00 -1.34 -0.02 0.00 -0.26 0.00 0.00 60.65 59.03 1wv3 s ILE 162 Cb 0.00 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 1wv3 s ILE 162 CO 0.00 0.27 -0.01 0.86 0.24 0.00 0.00 174.94 176.30 1wv3 s TRP 163 N -0.96 3.11 0.06 1.37 -0.00 -0.79 -1.42 118.94 120.30 1wv3 s TRP 163 Ca 0.15 0.09 0.05 0.00 -0.00 0.00 0.00 56.10 56.38 1wv3 s TRP 163 Cb -0.10 -1.82 -0.03 0.00 -0.00 0.00 0.00 33.47 31.52 1wv3 s TRP 163 CO 0.06 0.36 -0.13 -0.51 -0.00 0.00 0.00 176.95 176.72 1wv3 s LEU 164 N -0.62 2.26 -0.09 5.86 1.43 0.17 -1.18 118.68 126.52 1wv3 s LEU 164 Ca 0.10 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1wv3 s LEU 164 Cb -0.12 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.64 1wv3 s LEU 164 CO 0.02 -0.08 -0.06 -0.70 0.23 0.00 0.00 176.35 175.76 1wv3 s GLU 165 N -1.64 1.28 -0.00 1.70 2.12 -0.17 -0.30 118.70 121.68 1wv3 s GLU 165 Ca -0.02 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 54.83 1wv3 s GLU 165 Cb -0.10 -1.36 -0.03 0.00 0.26 0.00 0.00 34.13 32.90 1wv3 s GLU 165 CO 0.02 -0.23 1.04 0.08 -0.54 0.00 0.00 175.26 175.63 1wv3 s VAL 166 N 1.59 4.64 0.30 3.70 1.01 -0.93 -1.45 120.40 129.26 1wv3 s VAL 166 Ca 0.02 1.90 0.02 0.00 0.00 0.00 0.00 61.98 63.92 1wv3 s VAL 166 Cb -0.13 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1wv3 s VAL 166 CO -0.06 0.12 0.09 -1.10 0.00 0.00 0.00 175.10 174.16 1wv3 s GLN 167 N 1.19 1.55 0.34 2.72 -1.52 -0.51 -0.21 119.66 123.21 1wv3 s GLN 167 Ca 0.53 -1.86 0.06 0.00 -1.95 0.00 0.00 55.36 52.14 1wv3 s GLN 167 Cb -0.23 -0.51 0.62 0.00 -0.22 0.00 0.00 33.01 32.67 1wv3 s GLN 167 CO 0.27 -0.27 1.85 0.00 -0.25 0.00 0.00 175.29 176.89 1wv3 h ALA 168 N 2.23 1.35 -0.01 6.09 0.00 -1.97 -3.21 119.26 123.74 1wv3 h ALA 168 Ca -0.39 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1wv3 h ALA 168 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wv3 h ALA 168 CO 0.64 0.44 -0.42 -0.40 0.00 0.00 0.00 179.25 179.51 1wv3 n ASP 169 N -4.24 1.83 0.00 0.00 5.75 -1.26 -4.85 116.55 113.79 1wv3 n ASP 169 Ca 0.00 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 1wv3 n ASP 169 Cb 0.29 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 1wv3 n ASP 169 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wv3 n GLY 170 N 1.30 -0.52 3.31 6.12 0.00 -1.22 -2.06 105.19 112.13 1wv3 n GLY 170 Ca 0.08 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1wv3 n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wv3 s LEU 171 N 0.00 2.16 -0.01 0.99 1.43 -0.05 -1.43 118.68 121.77 1wv3 s LEU 171 Ca 0.00 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1wv3 s LEU 171 Cb 0.00 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1wv3 s LEU 171 CO 0.00 0.23 0.19 0.20 0.23 0.00 0.00 176.35 177.19 1wv3 s ASN 172 N -1.20 6.38 0.02 2.29 0.01 -0.53 -0.83 114.94 121.09 1wv3 s ASN 172 Ca 0.10 0.37 0.02 0.00 -0.71 0.00 0.00 52.86 52.64 1wv3 s ASN 172 Cb -0.10 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 1wv3 s ASN 172 CO 0.02 0.27 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.12 1wv3 s VAL 173 N -1.31 0.48 -0.17 1.60 1.01 0.15 -1.00 120.40 121.17 1wv3 s VAL 173 Ca 0.27 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1wv3 s VAL 173 Cb -0.13 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1wv3 s VAL 173 CO 0.18 -0.19 -0.13 -0.76 0.00 0.00 0.00 175.10 174.19 1wv3 s LEU 174 N -1.01 1.92 -0.09 3.92 1.43 -0.32 -1.26 118.68 123.26 1wv3 s LEU 174 Ca -0.05 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1wv3 s LEU 174 Cb -0.07 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 44.98 1wv3 s LEU 174 CO 0.00 -0.08 0.19 -0.55 0.23 0.00 0.00 176.35 176.13 1wv3 s SER 175 N 1.44 0.02 0.00 2.29 0.15 -0.29 -1.89 113.70 115.43 1wv3 s SER 175 Ca 0.03 0.39 0.27 0.00 0.70 0.00 0.00 55.95 57.34 1wv3 s SER 175 Cb -0.14 0.31 1.17 0.00 -1.71 0.00 0.00 66.02 65.65 1wv3 s SER 175 CO -0.10 -0.18 1.87 0.00 1.20 0.00 0.00 173.24 176.04 1wv3 n GLN 176 N 4.49 0.02 -4.18 5.44 6.02 -1.26 -4.59 117.38 123.33 1wv3 n GLN 176 Ca -0.21 0.03 -0.29 0.00 -0.01 0.00 0.00 57.00 56.53 1wv3 n GLN 176 Cb 0.52 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.19 1wv3 n GLN 176 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1wv3 s ASN 177 N -2.98 4.79 0.43 1.08 0.01 -1.26 -5.06 114.94 111.94 1wv3 s ASN 177 Ca 0.14 -0.30 -0.25 0.00 -0.71 0.00 0.00 52.86 51.73 1wv3 s ASN 177 Cb 0.18 -1.05 -0.10 0.00 0.41 0.00 0.00 41.25 40.70 1wv3 s ASN 177 CO 0.49 0.14 1.27 0.35 -1.51 0.00 0.00 177.10 177.85 1wv3 n THR 178 N 0.35 2.60 -4.40 1.60 -2.24 -1.26 -4.99 114.28 105.94 1wv3 n THR 178 Ca -0.11 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.83 1wv3 n THR 178 Cb 0.53 -1.57 -0.14 0.00 -2.10 0.00 0.00 70.33 67.05 1wv3 n THR 178 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wv3 s VAL 179 N -1.20 3.05 -0.14 2.28 1.01 -1.26 -4.56 120.40 119.57 1wv3 s VAL 179 Ca 0.61 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1wv3 s VAL 179 Cb -0.50 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1wv3 s VAL 179 CO 0.58 0.49 -0.01 0.00 0.00 0.00 0.00 175.10 176.16 1wv3 s ALA 180 N 0.84 3.14 -0.04 5.51 0.00 -0.51 -4.94 121.76 125.77 1wv3 s ALA 180 Ca -0.03 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 1wv3 s ALA 180 Cb -0.15 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.41 1wv3 s ALA 180 CO 0.00 0.30 0.44 0.45 0.00 0.00 0.00 175.76 176.96 1wv3 s SER 181 N 0.05 -0.36 0.00 0.00 0.15 -1.26 0.48 113.70 112.76 1wv3 s SER 181 Ca 0.02 0.34 0.26 0.00 0.70 0.00 0.00 55.95 57.27 1wv3 s SER 181 Cb -0.13 0.43 0.64 0.00 -1.71 0.00 0.00 66.02 65.25 1wv3 s SER 181 CO 0.02 -0.48 1.49 -1.54 1.20 0.00 0.00 173.24 173.93 1wv3 n SER 182 N 1.26 1.19 -4.86 5.45 3.41 -1.17 -4.91 113.62 113.98 1wv3 n SER 182 Ca -0.20 -1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 57.10 1wv3 n SER 182 Cb 0.56 0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.69 1wv3 n SER 182 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wv3 s LEU 183 N -2.49 3.43 0.13 1.04 1.43 -1.26 -5.02 118.68 115.94 1wv3 s LEU 183 Ca 0.24 1.44 -0.30 0.00 -1.03 0.00 0.00 54.13 54.47 1wv3 s LEU 183 Cb 0.19 -4.43 -0.07 0.00 0.03 0.00 0.00 46.19 41.91 1wv3 s LEU 183 CO 0.53 -0.72 1.23 -0.63 0.23 0.00 0.00 176.35 176.99 1wv3 s ILE 184 N -2.90 3.70 -0.33 -0.59 1.01 -1.26 -4.90 121.20 115.92 1wv3 s ILE 184 Ca 0.56 1.30 -0.23 0.00 0.00 0.00 0.00 60.65 62.28 1wv3 s ILE 184 Cb -0.10 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1wv3 s ILE 184 CO 0.43 0.15 0.78 -0.13 0.00 0.00 0.00 174.94 176.17 1wv3 s ARG 185 N 0.49 3.86 0.00 2.79 0.52 -1.26 -0.84 118.95 124.51 1wv3 s ARG 185 Ca 0.57 0.44 0.30 0.00 -0.52 0.00 0.00 55.73 56.52 1wv3 s ARG 185 Cb -0.32 -3.77 1.49 0.00 0.52 0.00 0.00 34.95 32.87 1wv3 s ARG 185 CO 0.33 -0.76 1.99 1.28 0.02 0.00 0.00 175.30 178.16