#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbi s ARG 2 N 0.00 3.92 0.52 0.00 0.52 -1.26 -5.00 118.95 117.64 1wbi s ARG 2 Ca 0.00 1.98 -0.22 0.00 -0.52 0.00 0.00 55.73 56.97 1wbi s ARG 2 Cb 0.00 -2.64 -0.07 0.00 0.52 0.00 0.00 34.95 32.76 1wbi s ARG 2 CO 0.00 -0.48 1.19 1.63 0.02 0.00 0.00 175.30 177.66 1wbi n LYS 3 N -0.06 1.49 -1.23 3.54 4.76 -1.26 -2.51 118.16 122.88 1wbi n LYS 3 Ca 0.05 0.55 -0.08 0.00 -2.87 0.00 0.00 58.31 55.95 1wbi n LYS 3 Cb 0.45 -2.35 -0.03 0.00 -1.84 0.00 0.00 35.03 31.26 1wbi n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wbi s SER 5 N -2.56 7.00 0.00 0.00 0.15 -1.04 -4.83 113.70 112.42 1wbi s SER 5 Ca 0.00 1.80 0.17 0.00 0.70 0.00 0.00 55.95 58.61 1wbi s SER 5 Cb 0.00 -2.55 0.73 0.00 -1.71 0.00 0.00 66.02 62.49 1wbi s SER 5 CO 0.00 -0.66 1.54 0.18 1.20 0.00 0.00 173.24 175.51 1wbi n LEU 6 N 5.71 0.00 -4.63 3.45 4.77 -1.26 -4.78 117.00 120.25 1wbi n LEU 6 Ca 0.12 0.50 -0.47 0.00 -0.03 0.00 0.00 56.01 56.13 1wbi n LEU 6 Cb 0.46 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1wbi n LEU 6 CO 0.56 -0.21 0.95 0.41 -1.33 0.00 0.00 177.39 177.77 1wbi n THR 7 N -1.50 0.61 0.00 -5.08 -1.04 -1.26 -4.54 114.28 101.48 1wbi n THR 7 Ca 0.04 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1wbi n THR 7 Cb 0.20 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1wbi n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wbi n GLY 8 N 2.41 0.73 3.32 3.41 0.00 -0.27 -4.94 105.19 109.85 1wbi n GLY 8 Ca 0.15 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 1wbi n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbi s GLU 9 N -0.84 3.02 0.05 1.61 8.01 -1.26 -0.26 118.70 129.03 1wbi s GLU 9 Ca 0.00 -0.78 0.03 0.00 0.01 0.00 0.00 54.97 54.22 1wbi s GLU 9 Cb 0.00 -2.42 -0.03 0.00 -4.31 0.00 0.00 34.13 27.38 1wbi s GLU 9 CO 0.00 0.29 -0.09 -1.58 0.01 0.00 0.00 175.26 173.88 1wbi s TRP 10 N 0.12 0.80 0.24 1.61 0.52 0.21 -0.87 118.94 121.56 1wbi s TRP 10 Ca -0.09 -0.49 0.07 0.00 0.02 0.00 0.00 56.10 55.61 1wbi s TRP 10 Cb -0.15 -0.47 -0.05 0.00 -1.15 0.00 0.00 33.47 31.64 1wbi s TRP 10 CO 0.06 -0.05 -0.09 0.16 0.02 0.00 0.00 176.95 177.05 1wbi s ASP 11 N -1.61 2.53 0.52 2.95 1.47 -0.30 -1.00 116.67 121.24 1wbi s ASP 11 Ca -0.08 -1.11 0.01 0.00 1.18 0.00 0.00 52.55 52.55 1wbi s ASP 11 Cb -0.10 -0.13 -0.00 0.00 -0.34 0.00 0.00 42.92 42.35 1wbi s ASP 11 CO 0.01 -0.28 0.03 0.54 0.68 0.00 0.00 175.17 176.14 1wbi s ASN 12 N -3.36 4.19 0.53 2.11 2.20 -0.51 -1.69 114.94 118.41 1wbi s ASN 12 Ca 0.26 -1.66 0.35 0.00 -0.94 0.00 0.00 52.86 50.87 1wbi s ASN 12 Cb 0.02 0.61 1.76 0.00 -2.00 0.00 0.00 41.25 41.65 1wbi s ASN 12 CO 0.09 -0.92 2.07 -2.24 -2.94 0.00 0.00 177.10 173.16 1wbi h ASP 13 N 1.26 0.00 0.74 3.54 2.03 -1.85 -0.59 116.42 121.55 1wbi h ASP 13 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 1wbi h ASP 13 Cb 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1wbi h ASP 13 CO 0.72 0.00 -0.44 0.18 -1.03 0.00 0.00 179.24 178.67 1wbi n LEU 14 N -2.83 0.50 0.00 0.15 4.77 -1.26 -4.95 117.00 113.38 1wbi n LEU 14 Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1wbi n LEU 14 Cb 0.14 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1wbi n LEU 14 CO 0.20 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1wbi n GLY 15 N 1.44 0.74 3.78 -0.72 0.00 -0.23 -4.74 105.19 105.46 1wbi n GLY 15 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1wbi n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wbi s SER 16 N -2.52 5.68 -0.06 1.61 0.01 -1.26 -4.56 113.70 112.60 1wbi s SER 16 Ca 0.00 2.11 0.05 0.00 1.31 0.00 0.00 55.95 59.42 1wbi s SER 16 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1wbi s SER 16 CO 0.00 -1.24 -0.22 -0.63 0.41 0.00 0.00 173.24 171.56 1wbi s ILE 17 N -1.91 1.80 -0.01 1.44 1.01 -0.29 -1.42 121.20 121.81 1wbi s ILE 17 Ca 0.71 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 60.49 1wbi s ILE 17 Cb -0.22 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1wbi s ILE 17 CO 0.29 0.50 -0.14 -0.32 0.00 0.00 0.00 174.94 175.27 1wbi s MET 18 N -0.02 1.19 -0.07 2.79 -2.45 -0.17 -0.03 119.30 120.54 1wbi s MET 18 Ca -0.05 -0.51 0.05 0.00 -1.25 0.00 0.00 55.69 53.92 1wbi s MET 18 Cb -0.13 -1.14 -0.00 0.00 1.25 0.00 0.00 34.83 34.80 1wbi s MET 18 CO 0.04 0.30 -0.22 0.99 1.05 0.00 0.00 175.02 177.17 1wbi s THR 19 N -0.30 1.89 -0.06 10.11 2.01 -0.36 -0.62 115.64 128.31 1wbi s THR 19 Ca 0.05 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.16 1wbi s THR 19 Cb -0.06 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1wbi s THR 19 CO -0.00 0.53 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.57 1wbi s ILE 20 N 0.08 2.03 0.00 1.82 1.01 0.64 -0.96 121.20 125.82 1wbi s ILE 20 Ca -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1wbi s ILE 20 Cb -0.15 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1wbi s ILE 20 CO 0.05 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1wbi n GLY 21 N 2.95 -0.68 3.77 6.18 0.00 -0.35 -1.12 105.19 115.94 1wbi n GLY 21 Ca -0.17 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1wbi n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbi s ALA 22 N -3.79 3.54 -0.24 4.61 0.00 -1.26 -4.13 121.76 120.49 1wbi s ALA 22 Ca 0.00 1.42 -0.16 0.00 0.00 0.00 0.00 51.96 53.22 1wbi s ALA 22 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1wbi s ALA 22 CO 0.00 -0.86 0.43 0.08 0.00 0.00 0.00 175.76 175.41 1wbi s VAL 23 N -1.12 5.15 0.68 0.00 1.01 -1.26 -4.54 120.40 120.32 1wbi s VAL 23 Ca 0.51 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 63.10 1wbi s VAL 23 Cb -0.43 -3.75 0.16 0.00 0.00 0.00 0.00 36.38 32.36 1wbi s VAL 23 CO 0.58 0.17 0.83 -0.46 0.00 0.00 0.00 175.10 176.22 1wbi n ASN 24 N 5.07 -0.39 0.28 3.32 0.23 -0.45 -4.84 115.26 118.49 1wbi n ASN 24 Ca -0.07 -1.22 0.15 0.00 -0.53 0.00 0.00 54.58 52.92 1wbi n ASN 24 Cb 0.51 -0.66 0.84 0.00 -2.08 0.00 0.00 39.78 38.39 1wbi n ASN 24 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1wbi h ASP 25 N -1.39 0.00 -0.34 0.53 3.32 -1.98 -1.34 116.42 115.22 1wbi h ASP 25 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1wbi h ASP 25 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1wbi h ASP 25 CO 0.19 0.07 0.00 0.59 -1.72 0.00 0.00 179.24 178.37 1wbi n ASN 26 N -3.53 2.77 0.00 6.45 3.02 -1.26 -4.93 115.26 117.78 1wbi n ASN 26 Ca -0.02 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1wbi n ASN 26 Cb 0.19 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1wbi n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wbi n GLY 27 N 1.36 0.76 3.78 7.41 0.00 -0.50 -4.79 105.19 113.20 1wbi n GLY 27 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1wbi n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wbi s GLU 28 N -0.41 4.42 0.05 1.61 2.02 -1.26 -1.19 118.70 123.94 1wbi s GLU 28 Ca 0.00 1.47 -0.13 0.00 0.02 0.00 0.00 54.97 56.33 1wbi s GLU 28 Cb 0.00 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.50 1wbi s GLU 28 CO 0.00 0.09 0.28 -0.59 0.02 0.00 0.00 175.26 175.07 1wbi s PHE 29 N -1.57 -0.07 0.54 1.61 -0.12 -0.26 -1.34 117.98 116.77 1wbi s PHE 29 Ca 0.53 -0.09 0.02 0.00 -0.05 0.00 0.00 56.93 57.33 1wbi s PHE 29 Cb -0.22 0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.26 1wbi s PHE 29 CO 0.28 -0.50 0.15 0.16 -0.05 0.00 0.00 175.22 175.26 1wbi s ASP 30 N -2.12 4.33 0.00 1.98 1.47 -1.26 -0.82 116.67 120.26 1wbi s ASP 30 Ca -0.04 -1.56 0.00 0.00 1.18 0.00 0.00 52.55 52.12 1wbi s ASP 30 Cb -0.01 0.65 0.00 0.00 -0.34 0.00 0.00 42.92 43.22 1wbi s ASP 30 CO -0.04 -1.02 0.00 0.61 0.68 0.00 0.00 175.17 175.40 1wbi n GLY 31 N -1.50 -1.26 3.17 2.12 0.00 -0.82 -1.21 105.19 105.69 1wbi n GLY 31 Ca -0.15 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 1wbi n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wbi s THR 32 N -3.00 0.93 -0.04 2.61 -4.23 -0.13 -1.49 115.64 110.29 1wbi s THR 32 Ca 0.00 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1wbi s THR 32 Cb 0.00 -1.28 0.03 0.00 1.34 0.00 0.00 72.50 72.59 1wbi s THR 32 CO 0.00 -0.51 0.02 -0.47 -0.54 0.00 0.00 174.62 173.12 1wbi s TYR 33 N -2.25 0.29 -0.41 3.99 5.04 0.13 -1.22 117.35 122.91 1wbi s TYR 33 Ca 0.04 0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.66 1wbi s TYR 33 Cb -0.04 -0.48 0.10 0.00 0.35 0.00 0.00 41.96 41.89 1wbi s TYR 33 CO 0.00 -0.18 0.22 0.42 -1.34 0.00 0.00 175.55 174.67 1wbi s ILE 34 N 1.48 3.61 0.33 3.14 1.01 0.96 -1.37 121.20 130.36 1wbi s ILE 34 Ca -0.03 -1.79 -0.27 0.00 0.00 0.00 0.00 60.65 58.56 1wbi s ILE 34 Cb -0.13 -3.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.89 1wbi s ILE 34 CO -0.03 -0.60 1.01 0.28 0.00 0.00 0.00 174.94 175.61 1wbi s THR 35 N 1.25 3.86 -0.68 2.92 -1.32 -1.26 -1.14 115.64 119.27 1wbi s THR 35 Ca 0.05 1.62 0.26 0.00 -1.21 0.00 0.00 61.69 62.40 1wbi s THR 35 Cb -0.23 -3.93 0.29 0.00 -1.51 0.00 0.00 72.50 67.12 1wbi s THR 35 CO -0.02 0.19 1.74 0.00 -2.21 0.00 0.00 174.62 174.32 1wbi h ALA 36 N 3.22 0.99 -2.27 11.08 0.00 -1.85 -3.47 119.26 126.96 1wbi h ALA 36 Ca -0.47 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1wbi h ALA 36 Cb 1.20 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 1wbi h ALA 36 CO 0.65 0.00 -0.69 0.14 0.00 0.00 0.00 179.25 179.35 1wbi s VAL 37 N -3.12 0.41 0.10 0.00 -7.23 -1.26 -5.01 120.40 104.28 1wbi s VAL 37 Ca 0.10 -1.82 -0.27 0.00 -1.81 0.00 0.00 61.98 58.18 1wbi s VAL 37 Cb 0.11 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.59 1wbi s VAL 37 CO 0.61 -0.93 1.03 0.00 -0.31 0.00 0.00 175.10 175.51 1wbi s ALA 38 N -3.69 -1.81 0.25 1.32 0.00 -1.26 -4.98 121.76 111.58 1wbi s ALA 38 Ca 0.08 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 1wbi s ALA 38 Cb 0.06 0.54 0.37 0.00 0.00 0.00 0.00 23.12 24.10 1wbi s ALA 38 CO -0.08 -1.01 1.86 -0.44 0.00 0.00 0.00 175.76 176.09 1wbi h ASP 39 N 2.00 0.89 -3.47 0.00 3.32 -2.02 -3.32 116.42 113.82 1wbi h ASP 39 Ca -0.25 0.02 -0.62 0.00 0.02 0.00 0.00 57.03 56.20 1wbi h ASP 39 Cb 1.22 -0.17 -0.41 0.00 0.22 0.00 0.00 39.33 40.20 1wbi h ASP 39 CO 0.26 0.56 -0.69 0.20 -1.72 0.00 0.00 179.24 177.86 1wbi s ASN 40 N -5.79 3.91 0.50 6.45 0.01 -1.26 -4.99 114.94 113.76 1wbi s ASN 40 Ca -0.12 -3.14 0.19 0.00 -0.71 0.00 0.00 52.86 49.08 1wbi s ASN 40 Cb 0.19 -1.29 1.26 0.00 0.41 0.00 0.00 41.25 41.82 1wbi s ASN 40 CO 0.80 -0.19 2.08 1.55 -1.51 0.00 0.00 177.10 179.82 1wbi h PRO 41 N 6.15 0.00 0.00 -0.60 0.13 -1.94 -1.11 132.00 134.63 1wbi h PRO 41 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1wbi h PRO 41 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1wbi h PRO 41 CO 0.59 0.11 0.00 0.78 -0.23 0.00 0.00 178.00 179.25 1wbi h GLY 42 N 0.41 0.00 0.71 1.56 0.00 -1.94 -2.43 103.07 101.38 1wbi h GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wbi h GLY 42 CO 0.01 0.00 -0.31 0.70 0.00 0.00 0.00 176.54 176.94 1wbi n ASN 43 N -3.05 0.69 -4.71 0.19 4.13 -0.42 -4.95 115.26 107.14 1wbi n ASN 43 Ca -0.01 -0.53 -0.43 0.00 1.68 0.00 0.00 54.58 55.29 1wbi n ASN 43 Cb 0.19 0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 1wbi n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1wbi n ILE 44 N -1.05 0.23 -4.19 2.41 5.41 -0.92 -4.78 119.36 116.46 1wbi n ILE 44 Ca 0.10 -0.06 -0.11 0.00 1.00 0.00 0.00 62.75 63.68 1wbi n ILE 44 Cb 0.33 -1.90 -0.10 0.00 -0.71 0.00 0.00 39.64 37.27 1wbi n ILE 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1wbi s THR 45 N 0.86 0.50 0.29 1.39 -4.23 -1.26 -5.10 115.64 108.10 1wbi s THR 45 Ca 0.73 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 59.01 1wbi s THR 45 Cb -0.54 -1.97 -0.13 0.00 1.34 0.00 0.00 72.50 71.21 1wbi s THR 45 CO 0.37 -0.59 1.39 -0.11 -0.54 0.00 0.00 174.62 175.14 1wbi n LEU 46 N -0.14 3.54 -4.10 4.79 0.00 -1.26 -4.74 117.00 115.08 1wbi n LEU 46 Ca -0.08 1.17 -0.18 0.00 0.00 0.00 0.00 56.01 56.93 1wbi n LEU 46 Cb 0.63 -1.48 -0.13 0.00 0.00 0.00 0.00 43.42 42.43 1wbi n LEU 46 CO 0.32 -0.37 -0.44 -0.44 0.00 0.00 0.00 177.39 176.46 1wbi s SER 47 N 0.06 1.33 0.40 1.96 0.01 -0.47 -4.68 113.70 112.31 1wbi s SER 47 Ca 0.62 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 57.26 1wbi s SER 47 Cb -0.59 -0.06 -0.10 0.00 0.21 0.00 0.00 66.02 65.48 1wbi s SER 47 CO 0.55 -0.03 0.87 -2.16 0.41 0.00 0.00 173.24 172.89 1wbi s PRO 48 N -1.14 4.11 0.14 12.44 0.04 -1.25 0.21 135.00 149.55 1wbi s PRO 48 Ca -0.01 0.93 0.05 0.00 0.04 0.00 0.00 61.00 62.00 1wbi s PRO 48 Cb -0.08 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1wbi s PRO 48 CO 0.01 0.01 -0.10 -0.48 0.04 0.00 0.00 177.00 176.48 1wbi s LEU 49 N -3.21 2.51 -0.09 -3.56 0.05 -0.56 -1.94 118.68 111.88 1wbi s LEU 49 Ca 0.59 -0.98 -0.08 0.00 0.05 0.00 0.00 54.13 53.70 1wbi s LEU 49 Cb -0.10 -0.36 0.03 0.00 -2.05 0.00 0.00 46.19 43.71 1wbi s LEU 49 CO 0.17 -0.31 0.25 -0.22 -0.55 0.00 0.00 176.35 175.68 1wbi s LEU 50 N -3.06 0.97 0.00 1.48 2.96 -0.66 -1.95 118.68 118.41 1wbi s LEU 50 Ca 0.15 0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 54.44 1wbi s LEU 50 Cb 0.02 0.83 0.05 0.00 0.50 0.00 0.00 46.19 47.58 1wbi s LEU 50 CO 0.01 -0.10 0.61 0.61 -1.32 0.00 0.00 176.35 176.17 1wbi n GLY 51 N 3.13 1.04 2.92 7.98 0.00 0.00 -1.08 105.19 119.18 1wbi n GLY 51 Ca -0.14 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1wbi n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wbi s ILE 52 N -2.31 -0.02 0.23 -0.61 1.01 -0.51 -1.10 121.20 117.89 1wbi s ILE 52 Ca 0.13 0.09 0.10 0.00 0.00 0.00 0.00 60.65 60.97 1wbi s ILE 52 Cb -0.02 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.25 1wbi s ILE 52 CO 0.05 0.04 -0.14 0.00 0.00 0.00 0.00 174.94 174.89 1wbi s GLN 53 N 0.54 1.89 0.37 2.79 -2.07 -0.33 -1.62 119.66 121.24 1wbi s GLN 53 Ca -0.04 -1.51 -0.26 0.00 -1.82 0.00 0.00 55.36 51.73 1wbi s GLN 53 Cb -0.06 -1.98 -0.09 0.00 -1.09 0.00 0.00 33.01 29.79 1wbi s GLN 53 CO -0.02 0.38 1.20 -1.01 -1.32 0.00 0.00 175.29 174.52 1wbi s HIS 54 N -2.08 3.10 -0.20 9.60 3.76 -0.67 -4.33 115.29 124.47 1wbi s HIS 54 Ca 0.27 1.53 -0.12 0.00 -0.15 0.00 0.00 55.06 56.59 1wbi s HIS 54 Cb -0.07 -3.46 -0.20 0.00 1.11 0.00 0.00 32.58 29.96 1wbi s HIS 54 CO 0.15 -1.41 0.11 1.63 -0.85 0.00 0.00 174.74 174.38 1wbi n LYS 55 N 0.36 0.65 0.05 1.40 4.76 -1.26 -4.64 118.16 119.48 1wbi n LYS 55 Ca 0.03 0.35 -0.05 0.00 -2.87 0.00 0.00 58.31 55.78 1wbi n LYS 55 Cb 0.45 -1.66 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 1wbi n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wbi h ARG 56 N -0.48 0.00 -7.05 1.97 3.08 -1.98 -3.46 114.38 106.46 1wbi h ARG 56 Ca -0.47 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.05 1wbi h ARG 56 Cb 1.70 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.86 1wbi h ARG 56 CO -0.12 0.64 0.53 0.00 -1.07 0.00 0.00 179.97 179.95 1wbi s ALA 57 N -2.76 2.76 0.30 0.04 0.00 -1.26 -4.92 121.76 115.92 1wbi s ALA 57 Ca -0.01 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.11 1wbi s ALA 57 Cb 0.09 -3.48 0.47 0.00 0.00 0.00 0.00 23.12 20.20 1wbi s ALA 57 CO 0.81 -1.11 1.73 0.66 0.00 0.00 0.00 175.76 177.85 1wbi h SER 58 N 1.40 0.35 -2.32 0.00 4.64 -1.93 -3.35 113.55 112.35 1wbi h SER 58 Ca -0.50 -0.12 -0.59 0.00 -0.47 0.00 0.00 61.79 60.10 1wbi h SER 58 Cb 1.29 -0.10 -0.40 0.00 -0.31 0.00 0.00 62.40 62.88 1wbi h SER 58 CO 0.57 0.65 -0.81 0.00 -0.87 0.00 0.00 176.83 176.37 1wbi n GLN 59 N -4.10 1.46 -2.25 4.77 6.02 -1.26 -4.70 117.38 117.31 1wbi n GLN 59 Ca -0.01 -3.94 -0.33 0.00 -0.01 0.00 0.00 57.00 52.71 1wbi n GLN 59 Cb 0.42 -1.84 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 1wbi n GLN 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wbi s PRO 60 N -1.48 3.50 0.51 -1.09 0.04 -1.24 -4.58 135.00 130.66 1wbi s PRO 60 Ca 0.35 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.65 1wbi s PRO 60 Cb 0.10 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1wbi s PRO 60 CO -0.10 -0.68 0.80 0.95 0.04 0.00 0.00 177.00 178.02 1wbi s THR 61 N -2.21 4.30 0.13 1.26 -4.23 -1.26 -1.09 115.64 112.54 1wbi s THR 61 Ca 0.66 -0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.92 1wbi s THR 61 Cb -0.17 -3.65 0.07 0.00 1.34 0.00 0.00 72.50 70.09 1wbi s THR 61 CO 0.29 -0.62 0.80 0.72 -0.54 0.00 0.00 174.62 175.28 1wbi s PHE 62 N -2.80 -0.31 0.08 3.99 -0.12 -0.32 -1.68 117.98 116.83 1wbi s PHE 62 Ca 0.50 0.05 -0.11 0.00 -0.05 0.00 0.00 56.93 57.32 1wbi s PHE 62 Cb -0.10 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1wbi s PHE 62 CO 0.44 -0.82 0.26 0.20 -0.05 0.00 0.00 175.22 175.25 1wbi s GLY 63 N -2.75 -0.04 0.05 1.99 0.00 -0.64 -1.46 107.32 104.48 1wbi s GLY 63 Ca 0.07 -0.32 -0.21 0.00 0.00 0.00 0.00 44.72 44.26 1wbi s GLY 63 CO -0.04 -0.52 0.49 -0.11 0.00 0.00 0.00 173.10 172.91 1wbi s PHE 64 N -3.39 -0.38 -0.12 1.90 -0.12 -0.41 -1.42 117.98 114.05 1wbi s PHE 64 Ca 0.01 0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 57.25 1wbi s PHE 64 Cb 0.02 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1wbi s PHE 64 CO -0.09 -0.63 -0.07 0.99 -0.05 0.00 0.00 175.22 175.37 1wbi s THR 65 N -2.55 3.64 -0.24 -4.49 2.01 -0.24 -1.04 115.64 112.72 1wbi s THR 65 Ca -0.05 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 1wbi s THR 65 Cb -0.01 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1wbi s THR 65 CO -0.03 0.53 0.04 -0.69 -0.69 0.00 0.00 174.62 173.78 1wbi s VAL 66 N -0.01 4.05 -0.52 3.82 1.01 0.40 -1.66 120.40 127.49 1wbi s VAL 66 Ca -0.01 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 1wbi s VAL 66 Cb -0.14 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.41 1wbi s VAL 66 CO 0.03 0.37 0.78 -2.28 0.00 0.00 0.00 175.10 174.00 1wbi s HIS 67 N 1.53 2.93 0.03 5.22 5.65 -0.82 -1.98 115.29 127.85 1wbi s HIS 67 Ca 0.06 -0.24 -0.30 0.00 0.25 0.00 0.00 55.06 54.83 1wbi s HIS 67 Cb -0.15 -3.78 -0.07 0.00 -1.18 0.00 0.00 32.58 27.40 1wbi s HIS 67 CO 0.02 -1.17 1.47 -1.58 -0.65 0.00 0.00 174.74 172.83 1wbi s TRP 68 N 3.29 2.77 -1.32 3.88 0.52 -1.20 -3.88 118.94 122.99 1wbi s TRP 68 Ca 0.23 0.69 0.29 0.00 0.02 0.00 0.00 56.10 57.33 1wbi s TRP 68 Cb -0.15 -3.75 1.32 0.00 -1.15 0.00 0.00 33.47 29.73 1wbi s TRP 68 CO 0.16 -2.86 1.94 0.09 0.02 0.00 0.00 176.95 176.30 1wbi n ASN 69 N 5.27 0.13 -0.03 2.95 3.02 -1.26 -3.89 115.26 121.44 1wbi n ASN 69 Ca 0.14 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1wbi n ASN 69 Cb 0.43 -0.27 0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1wbi n ASN 69 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1wbi n PHE 70 N -1.29 0.01 -4.06 3.10 1.16 -1.26 -5.02 117.46 110.09 1wbi n PHE 70 Ca 0.12 -0.15 -0.12 0.00 -1.87 0.00 0.00 57.45 55.43 1wbi n PHE 70 Cb 0.28 -0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 38.09 1wbi n PHE 70 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1wbi s SER 71 N -0.34 0.43 0.00 5.98 1.04 -1.25 -4.98 113.70 114.57 1wbi s SER 71 Ca 0.01 -1.26 0.18 0.00 0.48 0.00 0.00 55.95 55.36 1wbi s SER 71 Cb 0.01 0.61 0.65 0.00 0.10 0.00 0.00 66.02 67.39 1wbi s SER 71 CO 0.01 -1.20 1.48 -0.62 0.98 0.00 0.00 173.24 173.88 1wbi n GLU 72 N -0.46 1.69 -2.17 4.02 -0.58 -1.26 -4.68 120.64 117.19 1wbi n GLU 72 Ca -0.00 -1.05 -0.31 0.00 -0.42 0.00 0.00 57.16 55.37 1wbi n GLU 72 Cb 0.62 -1.35 -0.01 0.00 -0.57 0.00 0.00 31.44 30.13 1wbi n GLU 72 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wbi s SER 73 N -1.42 6.43 0.00 1.62 0.01 -1.26 -4.40 113.70 114.67 1wbi s SER 73 Ca 0.29 1.47 0.02 0.00 1.31 0.00 0.00 55.95 59.04 1wbi s SER 73 Cb 0.16 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 1wbi s SER 73 CO 0.23 -0.71 -0.08 -0.89 0.41 0.00 0.00 173.24 172.20 1wbi s THR 74 N -2.88 0.60 0.13 1.44 2.01 -0.95 -3.25 115.64 112.74 1wbi s THR 74 Ca 0.56 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 62.24 1wbi s THR 74 Cb -0.10 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1wbi s THR 74 CO 0.42 0.10 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.77 1wbi s SER 75 N -0.36 3.02 0.06 3.53 0.01 -0.84 -0.39 113.70 118.74 1wbi s SER 75 Ca 0.02 -0.74 0.08 0.00 1.31 0.00 0.00 55.95 56.61 1wbi s SER 75 Cb -0.04 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 1wbi s SER 75 CO -0.00 0.12 -0.21 0.68 0.41 0.00 0.00 173.24 174.24 1wbi s VAL 76 N -1.21 1.69 -0.01 3.43 -7.23 -0.23 -0.46 120.40 116.39 1wbi s VAL 76 Ca 0.12 -1.31 0.05 0.00 -1.81 0.00 0.00 61.98 59.03 1wbi s VAL 76 Cb -0.10 -1.49 -0.01 0.00 0.56 0.00 0.00 36.38 35.34 1wbi s VAL 76 CO 0.06 0.12 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.46 1wbi s PHE 77 N -0.91 1.39 0.01 2.82 0.08 -0.21 -1.24 117.98 119.92 1wbi s PHE 77 Ca 0.07 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1wbi s PHE 77 Cb -0.09 -0.90 -0.01 0.00 -0.57 0.00 0.00 43.02 41.45 1wbi s PHE 77 CO 0.03 -0.02 -0.03 0.54 -0.10 0.00 0.00 175.22 175.63 1wbi s VAL 78 N -0.36 0.19 0.00 -0.44 0.11 -0.13 -1.29 120.40 118.48 1wbi s VAL 78 Ca 0.06 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 1wbi s VAL 78 Cb -0.06 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 1wbi s VAL 78 CO -0.01 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 1wbi n GLY 79 N 2.27 0.71 3.01 6.54 0.00 -0.54 -1.06 105.19 116.12 1wbi n GLY 79 Ca -0.18 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1wbi n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wbi s GLN 80 N -1.48 0.49 -0.18 1.61 0.74 -0.75 -1.17 119.66 118.93 1wbi s GLN 80 Ca 0.00 -0.43 -0.16 0.00 0.05 0.00 0.00 55.36 54.82 1wbi s GLN 80 Cb 0.00 -0.40 -0.04 0.00 1.10 0.00 0.00 33.01 33.67 1wbi s GLN 80 CO 0.00 0.10 0.39 0.00 -0.55 0.00 0.00 175.29 175.22 1wbi s PHE 82 N 1.02 2.75 -0.07 0.00 0.08 0.10 -3.64 117.98 118.22 1wbi s PHE 82 Ca 0.20 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 57.10 1wbi s PHE 82 Cb -0.14 -1.46 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1wbi s PHE 82 CO 0.07 0.41 -0.03 0.54 -0.10 0.00 0.00 175.22 176.11 1wbi s VAL 83 N -1.17 0.58 0.54 -0.44 0.11 -1.26 -1.08 120.40 117.68 1wbi s VAL 83 Ca 0.21 -0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.14 1wbi s VAL 83 Cb -0.11 -0.66 0.12 0.00 -1.53 0.00 0.00 36.38 34.20 1wbi s VAL 83 CO 0.13 0.27 0.73 -0.90 -3.33 0.00 0.00 175.10 172.00 1wbi n ASP 84 N 4.64 0.45 0.13 3.54 5.68 -0.69 -4.92 116.55 125.38 1wbi n ASP 84 Ca -0.15 -1.51 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1wbi n ASP 84 Cb 0.50 -0.52 0.30 0.00 -1.14 0.00 0.00 41.12 40.26 1wbi n ASP 84 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1wbi h ARG 85 N 0.00 0.17 0.00 0.11 3.08 -2.01 -1.96 114.38 113.77 1wbi h ARG 85 Ca -0.24 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1wbi h ARG 85 Cb 0.75 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1wbi h ARG 85 CO 0.21 0.49 0.00 -1.13 -1.07 0.00 0.00 179.97 178.46 1wbi n SER 86 N -4.11 0.00 0.00 7.04 3.41 -1.26 -4.91 113.62 113.80 1wbi n SER 86 Ca -0.01 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1wbi n SER 86 Cb 0.41 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1wbi n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wbi n GLY 87 N 0.79 0.78 3.71 5.00 0.00 -0.74 -5.06 105.19 109.67 1wbi n GLY 87 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1wbi n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wbi s LYS 88 N -0.61 4.55 -0.06 1.61 2.20 -1.26 -4.79 119.74 121.38 1wbi s LYS 88 Ca 0.00 1.39 -0.11 0.00 -0.36 0.00 0.00 55.97 56.89 1wbi s LYS 88 Cb 0.00 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1wbi s LYS 88 CO 0.00 -0.06 0.26 -1.21 -0.36 0.00 0.00 175.35 173.99 1wbi s GLU 89 N 1.04 3.66 -0.02 4.03 2.02 -1.26 -1.71 118.70 126.46 1wbi s GLU 89 Ca 0.51 0.12 0.02 0.00 0.02 0.00 0.00 54.97 55.64 1wbi s GLU 89 Cb -0.21 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 30.83 1wbi s GLU 89 CO 0.27 0.74 -0.06 0.08 0.02 0.00 0.00 175.26 176.31 1wbi s VAL 90 N -1.05 0.53 -0.38 2.63 1.01 -0.24 -4.50 120.40 118.39 1wbi s VAL 90 Ca 0.19 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 1wbi s VAL 90 Cb -0.14 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.76 1wbi s VAL 90 CO 0.08 0.18 0.37 -0.76 0.00 0.00 0.00 175.10 174.97 1wbi s LEU 91 N 0.25 4.71 -0.34 3.92 1.43 0.34 -0.72 118.68 128.27 1wbi s LEU 91 Ca -0.03 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 1wbi s LEU 91 Cb -0.07 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1wbi s LEU 91 CO -0.00 -0.44 0.53 -0.54 0.23 0.00 0.00 176.35 176.13 1wbi s LYS 92 N 1.99 3.71 0.09 1.70 -0.14 -0.72 -0.95 119.74 125.43 1wbi s LYS 92 Ca 0.10 -0.05 0.05 0.00 -1.36 0.00 0.00 55.97 54.72 1wbi s LYS 92 Cb -0.17 -3.78 -0.03 0.00 -1.68 0.00 0.00 37.83 32.16 1wbi s LYS 92 CO 0.12 -0.60 -0.13 0.95 -0.76 0.00 0.00 175.35 174.93 1wbi s THR 93 N 2.42 1.12 0.15 2.17 -4.23 -0.36 -1.81 115.64 115.09 1wbi s THR 93 Ca 0.20 -1.50 0.09 0.00 -1.18 0.00 0.00 61.69 59.29 1wbi s THR 93 Cb -0.15 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 1wbi s THR 93 CO 0.13 -0.37 -0.20 -0.54 -0.54 0.00 0.00 174.62 173.10 1wbi s LYS 94 N -2.27 1.26 0.05 3.99 1.02 -0.22 -1.73 119.74 121.83 1wbi s LYS 94 Ca 0.03 -1.34 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 1wbi s LYS 94 Cb -0.07 -1.44 -0.03 0.00 -0.52 0.00 0.00 37.83 35.78 1wbi s LYS 94 CO 0.02 0.31 -0.00 1.67 -0.92 0.00 0.00 175.35 176.43 1wbi s TRP 95 N -1.68 0.42 -0.05 3.18 1.48 -0.04 -0.96 118.94 121.31 1wbi s TRP 95 Ca 0.13 -0.90 0.05 0.00 -1.06 0.00 0.00 56.10 54.33 1wbi s TRP 95 Cb -0.08 -0.31 -0.01 0.00 -1.16 0.00 0.00 33.47 31.92 1wbi s TRP 95 CO 0.06 -0.36 -0.21 -0.51 -4.06 0.00 0.00 176.95 171.87 1wbi s LEU 96 N -2.62 2.00 -0.19 -4.66 1.43 -0.38 -1.67 118.68 112.59 1wbi s LEU 96 Ca 0.02 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1wbi s LEU 96 Cb 0.04 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1wbi s LEU 96 CO -0.08 0.21 -0.08 -1.58 0.23 0.00 0.00 176.35 175.05 1wbi s GLN 97 N -0.11 3.38 -0.23 1.70 0.74 -0.05 -1.06 119.66 124.03 1wbi s GLN 97 Ca -0.02 -0.65 -0.10 0.00 0.05 0.00 0.00 55.36 54.64 1wbi s GLN 97 Cb -0.12 -2.87 -0.05 0.00 1.10 0.00 0.00 33.01 31.07 1wbi s GLN 97 CO 0.03 -0.05 0.15 0.50 -0.55 0.00 0.00 175.29 175.36 1wbi s ARG 98 N 1.06 4.06 0.14 1.67 6.06 0.48 -1.07 118.95 131.35 1wbi s ARG 98 Ca 0.00 -0.28 -0.09 0.00 -2.50 0.00 0.00 55.73 52.87 1wbi s ARG 98 Cb -0.15 -3.49 -0.06 0.00 0.06 0.00 0.00 34.95 31.31 1wbi s ARG 98 CO -0.01 0.10 0.44 -0.51 -2.50 0.00 0.00 175.30 172.81 1wbi s LEU 99 N 0.95 4.28 -0.08 -0.88 1.43 0.26 -2.23 118.68 122.40 1wbi s LEU 99 Ca 0.07 0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 53.68 1wbi s LEU 99 Cb -0.13 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 1wbi s LEU 99 CO 0.03 0.07 0.90 0.00 0.23 0.00 0.00 176.35 177.58 1wbi s ALA 100 N -1.58 3.34 0.20 4.21 0.00 -1.26 -4.85 121.76 121.82 1wbi s ALA 100 Ca 0.39 0.30 0.11 0.00 0.00 0.00 0.00 51.96 52.76 1wbi s ALA 100 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1wbi s ALA 100 CO 0.21 -0.40 -0.22 0.14 0.00 0.00 0.00 175.76 175.49 1wbi s VAL 101 N 1.49 2.47 -0.31 0.00 -7.23 -1.26 -5.06 120.40 110.51 1wbi s VAL 101 Ca 0.45 -2.02 0.22 0.00 -1.81 0.00 0.00 61.98 58.82 1wbi s VAL 101 Cb -0.19 -2.20 0.12 0.00 0.56 0.00 0.00 36.38 34.68 1wbi s VAL 101 CO 0.20 -0.14 1.26 0.44 -0.31 0.00 0.00 175.10 176.54 1wbi h ASP 102 N 3.07 0.00 -4.28 4.85 3.32 -1.97 -3.45 116.42 117.96 1wbi h ASP 102 Ca -0.46 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.16 1wbi h ASP 102 Cb 1.21 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.50 1wbi h ASP 102 CO 0.50 0.03 -0.79 -0.62 -1.72 0.00 0.00 179.24 176.64 1wbi s ASP 103 N -5.73 1.52 0.53 6.45 2.15 -1.26 -5.01 116.67 115.33 1wbi s ASP 103 Ca 0.02 -0.38 0.23 0.00 0.43 0.00 0.00 52.55 52.84 1wbi s ASP 103 Cb 0.08 -0.11 1.39 0.00 -0.30 0.00 0.00 42.92 43.97 1wbi s ASP 103 CO 0.74 0.05 2.06 -0.29 -0.17 0.00 0.00 175.17 177.57 1wbi h ILE 104 N 4.61 0.79 0.00 4.11 2.10 -2.02 -0.02 117.51 127.08 1wbi h ILE 104 Ca -0.36 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.57 1wbi h ILE 104 Cb 1.18 0.84 -0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1wbi h ILE 104 CO 0.45 0.00 -0.05 0.77 -1.08 0.00 0.00 178.15 178.25 1wbi h SER 105 N 0.00 0.00 -0.60 2.19 4.64 -1.99 -1.94 113.55 115.86 1wbi h SER 105 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1wbi h SER 105 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1wbi h SER 105 CO -0.00 0.05 0.00 0.47 -0.87 0.00 0.00 176.83 176.47 1wbi n ASP 106 N -3.41 3.64 -0.28 4.97 8.00 -0.02 -4.57 116.55 124.87 1wbi n ASP 106 Ca -0.02 -2.15 0.19 0.00 0.71 0.00 0.00 54.79 53.52 1wbi n ASP 106 Cb 0.17 -0.46 0.48 0.00 -0.02 0.00 0.00 41.12 41.30 1wbi n ASP 106 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1wbi h ASP 107 N 3.58 0.47 -0.04 -2.24 3.58 -1.44 -1.68 116.42 118.66 1wbi h ASP 107 Ca 0.00 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.52 1wbi h ASP 107 Cb 1.00 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 1wbi h ASP 107 CO 0.08 0.16 0.05 4.11 -2.88 0.00 0.00 179.24 180.76 1wbi h TRP 108 N 0.46 0.00 -0.00 0.28 5.08 -1.84 -2.00 115.95 117.92 1wbi h TRP 108 Ca 0.52 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.49 1wbi h TRP 108 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1wbi h TRP 108 CO -0.00 0.00 -0.22 0.44 -1.28 0.00 0.00 178.44 177.38 1wbi n ILE 109 N -3.73 0.00 0.84 0.12 -5.35 -0.63 -4.56 119.36 106.04 1wbi n ILE 109 Ca -0.02 -0.04 0.12 0.00 -0.27 0.00 0.00 62.75 62.54 1wbi n ILE 109 Cb 0.14 -0.01 0.12 0.00 -1.74 0.00 0.00 39.64 38.15 1wbi n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wbi n ALA 110 N -1.18 2.45 -3.99 -1.28 0.00 -0.75 -4.85 120.51 110.91 1wbi n ALA 110 Ca 0.10 -0.75 -0.30 0.00 0.00 0.00 0.00 53.44 52.49 1wbi n ALA 110 Cb 0.32 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 18.80 1wbi n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wbi s THR 111 N -1.85 1.50 0.21 0.00 2.01 -1.26 -0.58 115.64 115.66 1wbi s THR 111 Ca 0.30 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1wbi s THR 111 Cb 0.20 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1wbi s THR 111 CO 0.30 0.33 0.41 -0.13 -0.69 0.00 0.00 174.62 174.84 1wbi s ARG 112 N 1.49 3.54 0.05 4.92 0.52 -0.23 -4.94 118.95 124.31 1wbi s ARG 112 Ca 0.03 -0.28 0.05 0.00 -0.52 0.00 0.00 55.73 55.00 1wbi s ARG 112 Cb -0.14 -2.82 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1wbi s ARG 112 CO -0.09 0.39 -0.13 0.54 0.02 0.00 0.00 175.30 176.02 1wbi s VAL 113 N -1.87 1.02 0.00 3.52 0.11 -1.26 -0.87 120.40 121.05 1wbi s VAL 113 Ca 0.39 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1wbi s VAL 113 Cb -0.11 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1wbi s VAL 113 CO 0.29 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 1wbi n GLY 114 N 1.57 1.65 3.07 6.54 0.00 -0.67 -5.00 105.19 112.35 1wbi n GLY 114 Ca -0.20 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 1wbi n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wbi s ASN 115 N 0.76 0.36 -0.09 1.61 4.22 -1.26 -0.86 114.94 119.68 1wbi s ASN 115 Ca 0.00 -0.78 -0.18 0.00 -2.14 0.00 0.00 52.86 49.76 1wbi s ASN 115 Cb 0.00 0.18 0.04 0.00 1.28 0.00 0.00 41.25 42.75 1wbi s ASN 115 CO 0.00 -0.51 0.44 0.20 -2.04 0.00 0.00 177.10 175.19 1wbi s ASN 116 N -2.40 -0.40 -0.11 3.54 0.02 -0.71 -4.94 114.94 109.95 1wbi s ASN 116 Ca -0.01 0.56 -0.01 0.00 -1.02 0.00 0.00 52.86 52.38 1wbi s ASN 116 Cb 0.02 0.62 -0.03 0.00 0.02 0.00 0.00 41.25 41.88 1wbi s ASN 116 CO -0.07 -0.35 -0.08 -1.81 0.02 0.00 0.00 177.10 174.82 1wbi s ASP 117 N -0.62 4.53 0.03 -1.22 1.01 -1.26 -1.23 116.67 117.90 1wbi s ASP 117 Ca -0.07 -0.14 0.06 0.00 0.71 0.00 0.00 52.55 53.11 1wbi s ASP 117 Cb -0.03 -1.47 -0.03 0.00 1.01 0.00 0.00 42.92 42.39 1wbi s ASP 117 CO 0.04 0.25 -0.16 -0.36 0.21 0.00 0.00 175.17 175.15 1wbi s PHE 118 N -0.12 2.62 0.17 4.23 0.08 -0.12 -2.73 117.98 122.11 1wbi s PHE 118 Ca 0.01 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.87 1wbi s PHE 118 Cb -0.13 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 1wbi s PHE 118 CO 0.03 0.27 -0.02 0.95 -0.10 0.00 0.00 175.22 176.35 1wbi s THR 119 N -0.92 0.79 0.34 0.64 -4.23 -0.68 -0.51 115.64 111.06 1wbi s THR 119 Ca 0.15 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.38 1wbi s THR 119 Cb -0.11 -2.07 -0.11 0.00 1.34 0.00 0.00 72.50 71.56 1wbi s THR 119 CO 0.05 -0.53 1.51 -0.13 -0.54 0.00 0.00 174.62 174.98 1wbi s ARG 120 N -3.88 4.14 0.00 3.99 0.52 -1.26 -1.15 118.95 121.31 1wbi s ARG 120 Ca 0.22 2.53 0.16 0.00 -0.52 0.00 0.00 55.73 58.12 1wbi s ARG 120 Cb 0.05 -3.00 0.94 0.00 0.52 0.00 0.00 34.95 33.47 1wbi s ARG 120 CO 0.03 -0.54 1.36 0.94 0.02 0.00 0.00 175.30 177.11