#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbi s LYS 3 N 0.00 4.23 -0.84 -0.14 -0.14 -1.26 -2.15 119.74 119.44 1wbi s LYS 3 Ca 0.00 2.39 0.00 0.00 -1.36 0.00 0.00 55.97 57.00 1wbi s LYS 3 Cb 0.00 -3.04 0.00 0.00 -1.68 0.00 0.00 37.83 33.11 1wbi s LYS 3 CO 0.00 -0.40 0.00 0.00 -0.76 0.00 0.00 175.35 174.19 1wbi s SER 5 N -2.65 7.01 0.35 0.00 0.15 -0.92 -4.83 113.70 112.81 1wbi s SER 5 Ca 0.00 1.83 0.27 0.00 0.70 0.00 0.00 55.95 58.75 1wbi s SER 5 Cb 0.00 -2.56 1.03 0.00 -1.71 0.00 0.00 66.02 62.79 1wbi s SER 5 CO 0.00 -0.62 1.79 -0.07 1.20 0.00 0.00 173.24 175.54 1wbi h LEU 6 N 8.44 0.00 -9.17 3.45 3.38 -1.92 -3.45 115.31 116.04 1wbi h LEU 6 Ca -0.33 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 56.91 1wbi h LEU 6 Cb 1.15 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.96 1wbi h LEU 6 CO 0.90 0.00 0.34 0.41 0.09 0.00 0.00 178.44 180.17 1wbi n THR 7 N -2.55 0.01 0.00 0.22 -1.04 -1.26 -4.51 114.28 105.16 1wbi n THR 7 Ca 0.02 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1wbi n THR 7 Cb 0.30 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 2.24 0.80 3.29 3.41 0.00 -0.60 -4.93 105.19 109.40 1wbi n GLY 8 Ca 0.19 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.21 3.02 0.09 1.61 8.01 -1.26 -0.45 118.70 128.51 1wbi s GLU 9 Ca 0.00 -0.82 0.05 0.00 0.01 0.00 0.00 54.97 54.21 1wbi s GLU 9 Cb 0.00 -2.37 -0.03 0.00 -4.31 0.00 0.00 34.13 27.41 1wbi s GLU 9 CO 0.00 0.25 -0.13 -1.58 0.01 0.00 0.00 175.26 173.82 1wbi s TRP 10 N 0.19 1.21 0.23 1.61 0.52 0.59 -1.06 118.94 122.22 1wbi s TRP 10 Ca -0.12 -0.54 0.04 0.00 0.02 0.00 0.00 56.10 55.50 1wbi s TRP 10 Cb -0.16 -0.66 -0.05 0.00 -1.15 0.00 0.00 33.47 31.45 1wbi s TRP 10 CO 0.07 0.06 -0.02 0.16 0.02 0.00 0.00 176.95 177.24 1wbi s ASP 11 N -2.12 1.94 0.47 2.95 1.47 -0.26 -0.91 116.67 120.21 1wbi s ASP 11 Ca 0.03 -1.20 0.02 0.00 1.18 0.00 0.00 52.55 52.58 1wbi s ASP 11 Cb -0.07 -0.01 -0.02 0.00 -0.34 0.00 0.00 42.92 42.48 1wbi s ASP 11 CO 0.02 -0.47 0.04 0.54 0.68 0.00 0.00 175.17 175.98 1wbi s ASN 12 N -3.31 3.69 0.50 2.11 2.20 -0.62 -1.55 114.94 117.95 1wbi s ASN 12 Ca 0.27 -1.64 0.34 0.00 -0.94 0.00 0.00 52.86 50.89 1wbi s ASN 12 Cb 0.05 0.46 1.67 0.00 -2.00 0.00 0.00 41.25 41.43 1wbi s ASN 12 CO 0.08 -0.85 2.02 -2.24 -2.94 0.00 0.00 177.10 173.17 1wbi h ASP 13 N 1.52 0.00 0.61 3.54 2.03 -1.84 -0.83 116.42 121.44 1wbi h ASP 13 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 1wbi h ASP 13 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1wbi h ASP 13 CO 0.69 0.00 -0.50 0.18 -1.03 0.00 0.00 179.24 178.58 1wbi n LEU 14 N -2.77 0.50 0.00 0.15 4.77 -1.26 -4.94 117.00 113.46 1wbi n LEU 14 Ca -0.01 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1wbi n LEU 14 Cb 0.14 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1wbi n LEU 14 CO 0.19 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1wbi n GLY 15 N 1.46 0.62 3.75 -0.72 0.00 -0.32 -4.73 105.19 105.25 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 -2.88 5.06 -0.06 1.61 0.01 -1.26 -4.57 113.70 111.61 1wbi s SER 16 Ca 0.00 2.32 0.04 0.00 1.31 0.00 0.00 55.95 59.62 1wbi s SER 16 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1wbi s SER 16 CO 0.00 -1.68 -0.18 -0.63 0.41 0.00 0.00 173.24 171.16 1wbi s ILE 17 N -1.75 1.56 -0.04 1.44 1.01 -0.17 -1.60 121.20 121.65 1wbi s ILE 17 Ca 0.75 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1wbi s ILE 17 Cb -0.29 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.82 1wbi s ILE 17 CO 0.35 0.45 -0.17 -0.32 0.00 0.00 0.00 174.94 175.25 1wbi s MET 18 N 0.23 1.80 -0.07 2.79 -2.45 -0.09 -0.15 119.30 121.36 1wbi s MET 18 Ca -0.10 -0.62 0.05 0.00 -1.25 0.00 0.00 55.69 53.77 1wbi s MET 18 Cb -0.14 -1.56 -0.01 0.00 1.25 0.00 0.00 34.83 34.36 1wbi s MET 18 CO 0.04 0.25 -0.23 0.99 1.05 0.00 0.00 175.02 177.12 1wbi s THR 19 N 0.02 2.21 -0.04 10.11 2.01 -0.13 -0.30 115.64 129.52 1wbi s THR 19 Ca -0.04 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.04 1wbi s THR 19 Cb -0.11 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1wbi s THR 19 CO 0.02 0.57 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.63 1wbi s ILE 20 N -0.04 2.06 0.00 1.82 1.01 0.41 -0.45 121.20 126.00 1wbi s ILE 20 Ca -0.07 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.49 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 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1wbi n GLY 21 N 2.68 -0.15 3.76 6.18 0.00 0.24 -1.56 105.19 116.35 1wbi n GLY 21 Ca -0.17 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.52 3.60 -0.19 4.61 0.00 -1.26 -4.07 121.76 120.94 1wbi s ALA 22 Ca 0.00 1.40 -0.17 0.00 0.00 0.00 0.00 51.96 53.19 1wbi s ALA 22 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1wbi s ALA 22 CO 0.00 -0.82 0.44 0.08 0.00 0.00 0.00 175.76 175.46 1wbi s VAL 23 N -0.54 5.18 0.88 0.00 1.01 -1.26 -4.53 120.40 121.14 1wbi s VAL 23 Ca 0.56 0.81 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 1wbi s VAL 23 Cb -0.43 -3.77 0.19 0.00 0.00 0.00 0.00 36.38 32.37 1wbi s VAL 23 CO 0.51 0.25 1.20 -0.46 0.00 0.00 0.00 175.10 176.60 1wbi n ASN 24 N 4.40 0.52 0.27 3.32 0.23 -0.40 -4.88 115.26 118.72 1wbi n ASN 24 Ca -0.07 -1.70 0.13 0.00 -0.53 0.00 0.00 54.58 52.42 1wbi n ASN 24 Cb 0.51 -0.88 0.78 0.00 -2.08 0.00 0.00 39.78 38.11 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 -1.34 0.00 -0.19 0.53 3.32 -1.98 -1.18 116.42 115.59 1wbi h ASP 25 Ca -0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1wbi h ASP 25 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1wbi h ASP 25 CO 0.32 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 178.51 1wbi n ASN 26 N -3.71 2.52 0.00 6.45 5.03 -1.26 -4.95 115.26 119.34 1wbi n ASN 26 Ca -0.02 -1.83 0.00 0.00 0.87 0.00 0.00 54.58 53.59 1wbi n ASN 26 Cb 0.19 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1wbi n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wbi n GLY 27 N 1.31 0.75 3.81 7.41 0.00 -0.44 -4.81 105.19 113.22 1wbi n GLY 27 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.86 4.32 0.07 1.61 2.02 -1.26 -0.60 118.70 124.00 1wbi s GLU 28 Ca 0.00 1.02 -0.14 0.00 0.02 0.00 0.00 54.97 55.87 1wbi s GLU 28 Cb 0.00 -2.72 0.02 0.00 0.10 0.00 0.00 34.13 31.54 1wbi s GLU 28 CO 0.00 0.28 0.32 -0.59 0.02 0.00 0.00 175.26 175.29 1wbi s PHE 29 N -1.69 -0.11 0.49 1.61 -0.12 -0.54 -1.28 117.98 116.34 1wbi s PHE 29 Ca 0.49 -0.09 0.02 0.00 -0.05 0.00 0.00 56.93 57.30 1wbi s PHE 29 Cb -0.16 0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.38 1wbi s PHE 29 CO 0.20 -0.56 0.15 -0.40 -0.05 0.00 0.00 175.22 174.56 1wbi n ASP 30 N 0.31 3.06 0.00 1.98 5.68 -1.26 -0.88 116.55 125.43 1wbi n ASP 30 Ca -0.18 -2.97 0.00 0.00 -0.50 0.00 0.00 54.79 51.15 1wbi n ASP 30 Cb 0.61 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 1wbi n ASP 30 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wbi n GLY 31 N -0.89 -1.35 3.10 6.12 0.00 -0.94 -0.59 105.19 110.64 1wbi n GLY 31 Ca -0.13 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.79 0.61 -0.03 2.61 -4.23 0.40 -1.61 115.64 110.60 1wbi s THR 32 Ca 0.00 -1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 59.13 1wbi s THR 32 Cb 0.00 -0.97 0.03 0.00 1.34 0.00 0.00 72.50 72.90 1wbi s THR 32 CO 0.00 -0.54 0.05 -0.47 -0.54 0.00 0.00 174.62 173.12 1wbi s TYR 33 N -2.10 0.06 -0.43 3.99 5.04 0.66 -0.96 117.35 123.61 1wbi s TYR 33 Ca -0.03 0.19 -0.06 0.00 -2.44 0.00 0.00 57.07 54.74 1wbi s TYR 33 Cb -0.05 -0.38 0.11 0.00 0.35 0.00 0.00 41.96 41.99 1wbi s TYR 33 CO -0.01 -0.15 0.25 0.42 -1.34 0.00 0.00 175.55 174.72 1wbi s ILE 34 N 1.68 3.69 0.35 3.14 1.01 0.79 -1.31 121.20 130.55 1wbi s ILE 34 Ca -0.01 -1.88 -0.26 0.00 0.00 0.00 0.00 60.65 58.50 1wbi s ILE 34 Cb -0.12 -3.45 -0.09 0.00 0.01 0.00 0.00 42.46 38.80 1wbi s ILE 34 CO -0.03 -0.68 1.11 0.28 0.00 0.00 0.00 174.94 175.62 1wbi s THR 35 N 1.25 3.43 -0.44 2.92 -1.32 -1.26 -1.00 115.64 119.21 1wbi s THR 35 Ca 0.06 1.25 0.25 0.00 -1.21 0.00 0.00 61.69 62.04 1wbi s THR 35 Cb -0.24 -3.73 0.33 0.00 -1.51 0.00 0.00 72.50 67.36 1wbi s THR 35 CO -0.02 0.16 1.68 0.00 -2.21 0.00 0.00 174.62 174.23 1wbi h ALA 36 N 3.04 1.00 -2.68 11.08 0.00 -1.85 -3.47 119.26 126.38 1wbi h ALA 36 Ca -0.48 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.16 1wbi h ALA 36 Cb 1.22 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.83 1wbi h ALA 36 CO 0.64 0.00 -0.72 0.14 0.00 0.00 0.00 179.25 179.31 1wbi s VAL 37 N -3.24 0.73 0.13 0.00 -7.23 -1.26 -5.01 120.40 104.52 1wbi s VAL 37 Ca 0.07 -1.58 -0.25 0.00 -1.81 0.00 0.00 61.98 58.40 1wbi s VAL 37 Cb 0.07 -1.26 0.07 0.00 0.56 0.00 0.00 36.38 35.82 1wbi s VAL 37 CO 0.64 -0.62 0.94 0.00 -0.31 0.00 0.00 175.10 175.75 1wbi s ALA 38 N -2.57 -1.67 0.23 1.32 0.00 -1.26 -4.97 121.76 112.84 1wbi s ALA 38 Ca 0.03 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 1wbi s ALA 38 Cb -0.02 0.62 0.35 0.00 0.00 0.00 0.00 23.12 24.06 1wbi s ALA 38 CO -0.02 -0.99 1.78 -0.44 0.00 0.00 0.00 175.76 176.10 1wbi h ASP 39 N 2.00 0.50 -3.18 0.00 3.32 -2.02 -3.32 116.42 113.73 1wbi h ASP 39 Ca -0.24 0.06 -0.61 0.00 0.02 0.00 0.00 57.03 56.26 1wbi h ASP 39 Cb 1.23 -0.03 -0.40 0.00 0.22 0.00 0.00 39.33 40.35 1wbi h ASP 39 CO 0.26 0.29 -0.71 0.21 -1.72 0.00 0.00 179.24 177.56 1wbi s ASN 40 N -5.52 3.69 0.50 6.45 3.84 -1.26 -4.99 114.94 117.64 1wbi s ASN 40 Ca -0.13 -3.25 0.23 0.00 0.21 0.00 0.00 52.86 49.93 1wbi s ASN 40 Cb 0.18 -1.20 1.30 0.00 -0.55 0.00 0.00 41.25 40.99 1wbi s ASN 40 CO 0.77 -0.17 2.04 1.55 -2.79 0.00 0.00 177.10 178.50 1wbi h PRO 41 N 5.94 0.00 -0.01 0.43 0.13 -1.94 -1.18 132.00 135.37 1wbi h PRO 41 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1wbi h PRO 41 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1wbi h PRO 41 CO 0.57 0.15 0.04 0.78 -0.23 0.00 0.00 178.00 179.31 1wbi h GLY 42 N 0.78 0.00 0.50 1.56 0.00 -1.94 -2.23 103.07 101.73 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 0.02 0.00 -0.38 0.70 0.00 0.00 0.00 176.54 176.88 1wbi n ASN 43 N -3.24 0.85 -4.65 0.19 3.02 -0.45 -4.98 115.26 106.00 1wbi n ASN 43 Ca -0.03 -0.66 -0.48 0.00 -0.03 0.00 0.00 54.58 53.39 1wbi n ASN 43 Cb 0.11 0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.46 1wbi n ASN 43 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1wbi n ILE 44 N -0.99 0.02 -4.13 2.41 5.41 -0.84 -4.75 119.36 116.48 1wbi n ILE 44 Ca 0.09 -0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.75 1wbi n ILE 44 Cb 0.35 -1.38 -0.10 0.00 -0.71 0.00 0.00 39.64 37.80 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 0.91 0.23 0.09 1.39 -4.23 -1.26 -5.10 115.64 107.67 1wbi s THR 45 Ca 0.81 -1.88 -0.36 0.00 -1.18 0.00 0.00 61.69 59.08 1wbi s THR 45 Cb -0.75 -1.81 -0.15 0.00 1.34 0.00 0.00 72.50 71.13 1wbi s THR 45 CO 0.40 -0.71 1.48 -0.11 -0.54 0.00 0.00 174.62 175.14 1wbi n LEU 46 N -0.02 2.32 -4.18 4.79 7.94 -1.26 -4.73 117.00 121.86 1wbi n LEU 46 Ca -0.09 1.10 -0.22 0.00 -1.11 0.00 0.00 56.01 55.68 1wbi n LEU 46 Cb 0.62 -1.29 -0.14 0.00 0.53 0.00 0.00 43.42 43.15 1wbi n LEU 46 CO 0.30 -0.68 -0.48 -0.44 -1.11 0.00 0.00 177.39 174.97 1wbi s SER 47 N 0.97 1.93 0.43 1.96 0.01 -0.43 -4.70 113.70 113.87 1wbi s SER 47 Ca 0.83 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 57.42 1wbi s SER 47 Cb -0.84 -0.14 -0.10 0.00 0.21 0.00 0.00 66.02 65.15 1wbi s SER 47 CO 0.45 0.07 0.92 -2.16 0.41 0.00 0.00 173.24 172.93 1wbi s PRO 48 N -1.17 4.13 0.16 12.44 0.04 -1.25 -0.25 135.00 149.11 1wbi s PRO 48 Ca 0.03 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.14 1wbi s PRO 48 Cb -0.08 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1wbi s PRO 48 CO 0.01 -0.05 -0.12 -0.48 0.04 0.00 0.00 177.00 176.41 1wbi s LEU 49 N -3.33 2.52 -0.04 -3.56 0.05 -0.63 -1.67 118.68 112.02 1wbi s LEU 49 Ca 0.60 -0.99 -0.04 0.00 0.05 0.00 0.00 54.13 53.75 1wbi s LEU 49 Cb -0.09 -0.48 0.01 0.00 -2.05 0.00 0.00 46.19 43.58 1wbi s LEU 49 CO 0.17 -0.25 0.12 -0.22 -0.55 0.00 0.00 176.35 175.62 1wbi s LEU 50 N -3.12 1.54 0.00 1.48 2.96 -0.75 -2.20 118.68 118.59 1wbi s LEU 50 Ca 0.17 0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1wbi s LEU 50 Cb 0.00 0.42 0.02 0.00 0.50 0.00 0.00 46.19 47.13 1wbi s LEU 50 CO 0.03 -0.05 0.23 0.61 -1.32 0.00 0.00 176.35 175.85 1wbi n GLY 51 N 2.96 1.69 3.10 7.98 0.00 -0.06 -1.17 105.19 119.69 1wbi n GLY 51 Ca -0.13 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.73 -0.02 0.23 -0.61 1.01 -0.40 -1.47 121.20 117.21 1wbi s ILE 52 Ca 0.05 0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.86 1wbi s ILE 52 Cb -0.01 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 1wbi s ILE 52 CO 0.03 0.03 -0.08 0.00 0.00 0.00 0.00 174.94 174.92 1wbi s GLN 53 N 0.68 2.08 0.57 2.79 -2.07 0.24 -1.54 119.66 122.41 1wbi s GLN 53 Ca -0.04 -1.42 -0.17 0.00 -1.82 0.00 0.00 55.36 51.90 1wbi s GLN 53 Cb -0.06 -2.09 -0.04 0.00 -1.09 0.00 0.00 33.01 29.73 1wbi s GLN 53 CO -0.04 0.39 1.08 -1.01 -1.32 0.00 0.00 175.29 174.39 1wbi s HIS 54 N -2.09 2.84 -0.11 9.60 3.76 -0.67 -4.32 115.29 124.29 1wbi s HIS 54 Ca 0.28 1.54 0.03 0.00 -0.15 0.00 0.00 55.06 56.76 1wbi s HIS 54 Cb -0.07 -3.12 -0.09 0.00 1.11 0.00 0.00 32.58 30.41 1wbi s HIS 54 CO 0.17 -1.29 -0.07 1.63 -0.85 0.00 0.00 174.74 174.33 1wbi n LYS 55 N -1.72 0.84 0.00 1.40 5.02 -1.26 -4.74 118.16 117.69 1wbi n LYS 55 Ca 0.10 0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1wbi n LYS 55 Cb 0.52 -1.24 -0.08 0.00 -0.02 0.00 0.00 35.03 34.21 1wbi n LYS 55 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1wbi h ARG 56 N 0.00 0.04 -6.82 1.97 9.65 -1.99 -3.45 114.38 113.79 1wbi h ARG 56 Ca -0.27 -0.01 -0.56 0.00 -1.10 0.00 0.00 59.98 58.05 1wbi h ARG 56 Cb 1.46 -0.00 0.11 0.00 -1.39 0.00 0.00 29.97 30.14 1wbi h ARG 56 CO -0.03 0.29 0.65 0.00 2.80 0.00 0.00 179.97 183.68 1wbi n ALA 57 N -2.24 1.82 0.23 2.80 0.00 -1.26 -4.90 120.51 116.97 1wbi n ALA 57 Ca -0.07 0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.83 1wbi n ALA 57 Cb 0.15 -2.34 0.51 0.00 0.00 0.00 0.00 19.45 17.78 1wbi n ALA 57 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1wbi h SER 58 N 3.01 0.00 -2.30 0.00 0.02 -1.92 -3.32 113.55 109.04 1wbi h SER 58 Ca -0.48 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.88 1wbi h SER 58 Cb 1.26 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.39 1wbi h SER 58 CO 0.65 0.19 -0.75 0.00 -1.14 0.00 0.00 176.83 175.78 1wbi n GLN 59 N -3.38 1.78 -2.73 3.45 6.02 -1.26 -4.63 117.38 116.62 1wbi n GLN 59 Ca -0.00 -4.16 -0.33 0.00 -0.01 0.00 0.00 57.00 52.50 1wbi n GLN 59 Cb 0.40 -1.95 -0.06 0.00 1.02 0.00 0.00 30.24 29.64 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 -1.79 4.12 0.52 -1.09 0.04 -1.23 -4.61 135.00 130.95 1wbi s PRO 60 Ca 0.36 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1wbi s PRO 60 Cb 0.12 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1wbi s PRO 60 CO -0.08 -0.13 0.93 0.95 0.04 0.00 0.00 177.00 178.71 1wbi s THR 61 N -2.18 4.69 0.29 1.26 -4.23 -1.26 -1.05 115.64 113.17 1wbi s THR 61 Ca 0.63 0.85 -0.16 0.00 -1.18 0.00 0.00 61.69 61.83 1wbi s THR 61 Cb -0.11 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 69.96 1wbi s THR 61 CO 0.16 -0.83 0.63 0.72 -0.54 0.00 0.00 174.62 174.76 1wbi s PHE 62 N -2.77 0.13 0.13 3.99 -0.12 -0.36 -1.67 117.98 117.31 1wbi s PHE 62 Ca 0.55 -0.57 -0.15 0.00 -0.05 0.00 0.00 56.93 56.70 1wbi s PHE 62 Cb -0.10 0.50 0.03 0.00 -0.63 0.00 0.00 43.02 42.81 1wbi s PHE 62 CO 0.40 -1.20 0.40 0.20 -0.05 0.00 0.00 175.22 174.98 1wbi s GLY 63 N -3.00 -0.19 0.10 1.99 0.00 -0.59 -1.40 107.32 104.24 1wbi s GLY 63 Ca 0.17 -0.15 -0.17 0.00 0.00 0.00 0.00 44.72 44.57 1wbi s GLY 63 CO 0.09 -0.36 0.41 -0.11 0.00 0.00 0.00 173.10 173.12 1wbi s PHE 64 N -3.83 -0.22 -0.12 1.90 -0.12 -0.19 -1.28 117.98 114.13 1wbi s PHE 64 Ca 0.05 -0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.91 1wbi s PHE 64 Cb 0.02 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1wbi s PHE 64 CO -0.10 -0.67 -0.09 0.99 -0.05 0.00 0.00 175.22 175.30 1wbi s THR 65 N -3.44 3.42 -0.23 -4.49 2.01 -0.32 -0.88 115.64 111.72 1wbi s THR 65 Ca 0.01 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 1wbi s THR 65 Cb 0.01 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 1wbi s THR 65 CO -0.09 0.54 0.03 -0.69 -0.69 0.00 0.00 174.62 173.71 1wbi s VAL 66 N -0.00 4.04 -0.66 3.82 1.01 0.51 -1.81 120.40 127.30 1wbi s VAL 66 Ca -0.02 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1wbi s VAL 66 Cb -0.14 -2.86 0.10 0.00 0.00 0.00 0.00 36.38 33.49 1wbi s VAL 66 CO 0.03 0.39 0.83 -2.28 0.00 0.00 0.00 175.10 174.07 1wbi s HIS 67 N 1.34 2.95 0.10 5.22 5.65 -0.67 -2.09 115.29 127.79 1wbi s HIS 67 Ca 0.05 -0.93 -0.31 0.00 0.25 0.00 0.00 55.06 54.11 1wbi s HIS 67 Cb -0.15 -4.12 -0.09 0.00 -1.18 0.00 0.00 32.58 27.04 1wbi s HIS 67 CO 0.02 -1.41 1.74 -1.58 -0.65 0.00 0.00 174.74 172.86 1wbi s TRP 68 N 2.97 2.33 -1.95 3.88 0.52 -1.23 -3.80 118.94 121.66 1wbi s TRP 68 Ca 0.17 0.17 0.29 0.00 0.02 0.00 0.00 56.10 56.75 1wbi s TRP 68 Cb -0.20 -4.07 1.32 0.00 -1.15 0.00 0.00 33.47 29.37 1wbi s TRP 68 CO 0.05 -4.34 1.90 0.09 0.02 0.00 0.00 176.95 174.67 1wbi n ASN 69 N 5.52 0.65 -0.07 2.95 4.13 -1.26 -3.87 115.26 123.31 1wbi n ASN 69 Ca 0.17 -0.92 0.01 0.00 1.68 0.00 0.00 54.58 55.51 1wbi n ASN 69 Cb 0.39 -0.03 0.01 0.00 -1.54 0.00 0.00 39.78 38.62 1wbi n ASN 69 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1wbi n PHE 70 N -0.67 0.03 -3.98 3.10 1.16 -1.26 -5.02 117.46 110.82 1wbi n PHE 70 Ca 0.18 -0.32 -0.12 0.00 -1.87 0.00 0.00 57.45 55.32 1wbi n PHE 70 Cb 0.26 -0.03 -0.02 0.00 -1.61 0.00 0.00 39.48 38.08 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 -0.67 0.49 0.00 5.98 1.04 -1.25 -4.95 113.70 114.34 1wbi s SER 71 Ca 0.02 -1.30 0.21 0.00 0.48 0.00 0.00 55.95 55.36 1wbi s SER 71 Cb 0.01 0.72 0.53 0.00 0.10 0.00 0.00 66.02 67.39 1wbi s SER 71 CO 0.02 -1.41 1.44 -0.62 0.98 0.00 0.00 173.24 173.65 1wbi n GLU 72 N -0.53 2.24 -1.81 4.02 1.02 -1.26 -4.71 120.64 119.59 1wbi n GLU 72 Ca -0.02 -1.89 -0.31 0.00 -0.02 0.00 0.00 57.16 54.92 1wbi n GLU 72 Cb 0.61 -1.46 0.02 0.00 -0.02 0.00 0.00 31.44 30.59 1wbi n GLU 72 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wbi s SER 73 N -1.34 6.02 -0.01 1.62 0.01 -1.26 -4.48 113.70 114.26 1wbi s SER 73 Ca 0.37 1.44 0.01 0.00 1.31 0.00 0.00 55.95 59.08 1wbi s SER 73 Cb 0.20 -2.44 -0.00 0.00 0.21 0.00 0.00 66.02 63.99 1wbi s SER 73 CO 0.28 -1.01 -0.04 -0.89 0.41 0.00 0.00 173.24 171.99 1wbi s THR 74 N -3.17 0.32 0.15 1.44 2.01 -0.94 -3.50 115.64 111.95 1wbi s THR 74 Ca 0.56 -0.15 0.10 0.00 0.31 0.00 0.00 61.69 62.50 1wbi s THR 74 Cb -0.12 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1wbi s THR 74 CO 0.54 0.10 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.95 1wbi s SER 75 N 0.02 3.84 0.06 3.53 0.01 -0.89 -0.72 113.70 119.55 1wbi s SER 75 Ca 0.00 -0.64 0.06 0.00 1.31 0.00 0.00 55.95 56.69 1wbi s SER 75 Cb -0.03 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 1wbi s SER 75 CO -0.00 0.15 -0.18 0.68 0.41 0.00 0.00 173.24 174.30 1wbi s VAL 76 N -1.38 1.42 -0.01 3.43 -7.23 -0.22 -0.36 120.40 116.05 1wbi s VAL 76 Ca 0.20 -1.23 0.05 0.00 -1.81 0.00 0.00 61.98 59.19 1wbi s VAL 76 Cb -0.10 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 1wbi s VAL 76 CO 0.11 0.01 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.38 1wbi s PHE 77 N -0.97 1.54 0.01 2.82 0.08 -0.05 -1.41 117.98 119.98 1wbi s PHE 77 Ca 0.04 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1wbi s PHE 77 Cb -0.09 -0.98 -0.01 0.00 -0.57 0.00 0.00 43.02 41.37 1wbi s PHE 77 CO 0.02 -0.02 -0.02 0.54 -0.10 0.00 0.00 175.22 175.65 1wbi s VAL 78 N -0.44 0.08 0.00 -0.44 0.11 -0.33 -1.02 120.40 118.37 1wbi s VAL 78 Ca 0.06 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1wbi s VAL 78 Cb -0.07 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 1wbi s VAL 78 CO -0.00 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.19 1wbi n GLY 79 N 2.49 0.81 2.95 6.54 0.00 -0.49 -1.28 105.19 116.21 1wbi n GLY 79 Ca -0.17 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.22 0.37 -0.20 1.61 0.74 -0.72 -1.23 119.66 120.02 1wbi s GLN 80 Ca 0.00 -0.20 -0.16 0.00 0.05 0.00 0.00 55.36 55.05 1wbi s GLN 80 Cb 0.00 -0.34 -0.04 0.00 1.10 0.00 0.00 33.01 33.73 1wbi s GLN 80 CO 0.00 0.09 0.38 0.00 -0.55 0.00 0.00 175.29 175.21 1wbi s PHE 82 N 1.23 2.75 -0.08 0.00 0.08 0.11 -3.54 117.98 118.52 1wbi s PHE 82 Ca 0.19 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 57.09 1wbi s PHE 82 Cb -0.15 -1.47 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1wbi s PHE 82 CO 0.08 0.40 -0.05 0.54 -0.10 0.00 0.00 175.22 176.09 1wbi s VAL 83 N -1.16 0.76 0.88 -0.44 0.11 -1.26 -0.90 120.40 118.39 1wbi s VAL 83 Ca 0.20 -0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 58.96 1wbi s VAL 83 Cb -0.11 -0.80 0.15 0.00 -1.53 0.00 0.00 36.38 34.09 1wbi s VAL 83 CO 0.12 0.31 1.23 1.51 -3.33 0.00 0.00 175.10 174.94 1wbi s ASP 84 N 1.51 3.71 0.51 3.54 1.47 -0.66 -4.89 116.67 121.85 1wbi s ASP 84 Ca -0.00 0.34 0.22 0.00 1.18 0.00 0.00 52.55 54.28 1wbi s ASP 84 Cb -0.13 -0.57 1.32 0.00 -0.34 0.00 0.00 42.92 43.20 1wbi s ASP 84 CO -0.04 -2.36 2.02 0.03 0.68 0.00 0.00 175.17 175.50 1wbi h ARG 85 N -1.30 0.06 0.00 2.11 3.08 -2.01 0.78 114.38 117.10 1wbi h ARG 85 Ca -0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1wbi h ARG 85 Cb 1.27 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1wbi h ARG 85 CO 0.47 0.04 0.00 -1.13 -1.07 0.00 0.00 179.97 178.27 1wbi n SER 86 N -4.42 0.00 0.00 7.04 3.41 -1.26 -4.90 113.62 113.49 1wbi n SER 86 Ca 0.08 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1wbi n SER 86 Cb 0.49 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 1.36 0.75 3.70 5.00 0.00 0.27 -5.05 105.19 111.21 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 -0.49 4.49 -0.04 1.61 2.20 -1.26 -4.76 119.74 121.48 1wbi s LYS 88 Ca 0.00 1.41 -0.14 0.00 -0.36 0.00 0.00 55.97 56.88 1wbi s LYS 88 Cb 0.00 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1wbi s LYS 88 CO 0.00 -0.19 0.37 -1.21 -0.36 0.00 0.00 175.35 173.95 1wbi s GLU 89 N 1.54 3.92 -0.04 4.03 2.02 -1.26 -1.65 118.70 127.27 1wbi s GLU 89 Ca 0.50 0.31 0.01 0.00 0.02 0.00 0.00 54.97 55.81 1wbi s GLU 89 Cb -0.20 -3.26 0.02 0.00 0.10 0.00 0.00 34.13 30.80 1wbi s GLU 89 CO 0.23 0.61 -0.04 0.08 0.02 0.00 0.00 175.26 176.16 1wbi s VAL 90 N -0.77 0.51 -0.38 2.63 1.01 -0.08 -4.46 120.40 118.86 1wbi s VAL 90 Ca 0.22 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 1wbi s VAL 90 Cb -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1wbi s VAL 90 CO 0.11 0.21 0.51 -0.76 0.00 0.00 0.00 175.10 175.17 1wbi s LEU 91 N 0.82 4.47 -0.40 3.92 1.43 0.11 -0.72 118.68 128.30 1wbi s LEU 91 Ca -0.11 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.59 1wbi s LEU 91 Cb -0.14 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.54 1wbi s LEU 91 CO 0.00 -0.53 0.58 -0.54 0.23 0.00 0.00 176.35 176.08 1wbi s LYS 92 N 2.39 3.40 0.16 1.70 -0.14 -0.51 -0.83 119.74 125.90 1wbi s LYS 92 Ca 0.18 -0.32 0.07 0.00 -1.36 0.00 0.00 55.97 54.54 1wbi s LYS 92 Cb -0.16 -3.90 -0.04 0.00 -1.68 0.00 0.00 37.83 32.06 1wbi s LYS 92 CO 0.14 -0.85 -0.16 0.95 -0.76 0.00 0.00 175.35 174.67 1wbi s THR 93 N 2.59 1.61 0.11 2.17 -4.23 -0.26 -1.75 115.64 115.88 1wbi s THR 93 Ca 0.20 -1.90 0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1wbi s THR 93 Cb -0.15 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1wbi s THR 93 CO 0.16 -0.41 -0.20 -0.54 -0.54 0.00 0.00 174.62 173.09 1wbi s LYS 94 N -2.93 1.12 0.08 3.99 1.02 -0.41 -1.51 119.74 121.10 1wbi s LYS 94 Ca 0.14 -1.18 0.01 0.00 0.02 0.00 0.00 55.97 54.96 1wbi s LYS 94 Cb -0.04 -1.33 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 1wbi s LYS 94 CO 0.05 0.30 -0.05 1.67 -0.92 0.00 0.00 175.35 176.40 1wbi s TRP 95 N -1.31 0.74 -0.06 3.18 1.48 -0.18 -1.18 118.94 121.61 1wbi s TRP 95 Ca 0.07 -0.95 0.04 0.00 -1.06 0.00 0.00 56.10 54.20 1wbi s TRP 95 Cb -0.09 -0.46 0.00 0.00 -1.16 0.00 0.00 33.47 31.76 1wbi s TRP 95 CO 0.04 -0.23 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.01 1wbi s LEU 96 N -2.93 1.90 -0.19 -4.66 1.43 -0.50 -1.51 118.68 112.22 1wbi s LEU 96 Ca 0.09 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1wbi s LEU 96 Cb 0.06 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 1wbi s LEU 96 CO -0.06 0.14 -0.03 -1.58 0.23 0.00 0.00 176.35 175.04 1wbi s GLN 97 N 0.20 3.53 -0.25 1.70 0.74 -0.19 -1.06 119.66 124.33 1wbi s GLN 97 Ca -0.08 -0.57 -0.11 0.00 0.05 0.00 0.00 55.36 54.65 1wbi s GLN 97 Cb -0.14 -2.98 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 1wbi s GLN 97 CO 0.04 0.01 0.18 0.50 -0.55 0.00 0.00 175.29 175.46 1wbi s ARG 98 N 0.97 4.05 0.22 1.67 6.06 0.10 -1.20 118.95 130.83 1wbi s ARG 98 Ca 0.00 -0.26 -0.08 0.00 -2.50 0.00 0.00 55.73 52.90 1wbi s ARG 98 Cb -0.15 -3.56 -0.07 0.00 0.06 0.00 0.00 34.95 31.24 1wbi s ARG 98 CO 0.01 0.01 0.52 -0.51 -2.50 0.00 0.00 175.30 172.83 1wbi s LEU 99 N 1.19 4.17 -0.09 -0.88 1.43 0.24 -2.21 118.68 122.54 1wbi s LEU 99 Ca 0.08 0.83 -0.25 0.00 -1.03 0.00 0.00 54.13 53.76 1wbi s LEU 99 Cb -0.14 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1wbi s LEU 99 CO 0.06 -0.06 0.77 0.00 0.23 0.00 0.00 176.35 177.34 1wbi s ALA 100 N -1.82 3.36 0.09 4.21 0.00 -1.26 -4.85 121.76 121.49 1wbi s ALA 100 Ca 0.46 0.15 0.10 0.00 0.00 0.00 0.00 51.96 52.67 1wbi s ALA 100 Cb -0.11 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1wbi s ALA 100 CO 0.23 -0.28 -0.25 0.14 0.00 0.00 0.00 175.76 175.60 1wbi s VAL 101 N 1.21 2.07 -0.10 0.00 -7.23 -1.26 -5.06 120.40 110.03 1wbi s VAL 101 Ca 0.39 -1.54 0.15 0.00 -1.81 0.00 0.00 61.98 59.17 1wbi s VAL 101 Cb -0.18 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 1wbi s VAL 101 CO 0.18 0.18 1.14 0.44 -0.31 0.00 0.00 175.10 176.72 1wbi h ASP 102 N 4.33 0.00 -3.43 4.85 3.32 -1.97 -3.44 116.42 120.08 1wbi h ASP 102 Ca -0.48 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 55.93 1wbi h ASP 102 Cb 1.16 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.47 1wbi h ASP 102 CO 0.41 0.61 -0.67 -0.62 -1.72 0.00 0.00 179.24 177.25 1wbi s ASP 103 N -6.20 4.73 0.55 6.45 -1.08 -1.26 -5.00 116.67 114.85 1wbi s ASP 103 Ca 0.00 -0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.04 1wbi s ASP 103 Cb 0.08 -1.81 1.47 0.00 -1.46 0.00 0.00 42.92 41.20 1wbi s ASP 103 CO 0.78 0.05 2.10 -0.29 0.52 0.00 0.00 175.17 178.34 1wbi h ILE 104 N 5.44 0.73 0.00 4.11 2.10 -2.03 -0.41 117.51 127.45 1wbi h ILE 104 Ca -0.36 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.58 1wbi h ILE 104 Cb 1.18 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.78 1wbi h ILE 104 CO 0.61 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 176.14 1wbi n SER 105 N -4.22 0.40 -1.39 2.19 3.41 -1.26 -1.72 113.62 111.03 1wbi n SER 105 Ca 0.02 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1wbi n SER 105 Cb 0.31 -0.72 0.33 0.00 -0.26 0.00 0.00 64.21 63.87 1wbi n SER 105 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wbi n ASP 106 N -2.00 4.04 -0.16 4.04 8.00 -0.16 -4.57 116.55 125.73 1wbi n ASP 106 Ca 0.00 -2.02 0.10 0.00 0.71 0.00 0.00 54.79 53.58 1wbi n ASP 106 Cb 0.09 -0.50 0.42 0.00 -0.02 0.00 0.00 41.12 41.11 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 4.36 0.53 -0.53 -2.24 3.58 -1.45 -2.06 116.42 118.61 1wbi h ASP 107 Ca 0.00 0.01 0.15 0.00 0.42 0.00 0.00 57.03 57.62 1wbi h ASP 107 Cb 1.02 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 1wbi h ASP 107 CO 0.01 0.32 0.45 4.11 -2.88 0.00 0.00 179.24 181.25 1wbi h TRP 108 N 0.59 0.00 0.00 0.28 5.08 -1.84 -2.03 115.95 118.03 1wbi h TRP 108 Ca 0.33 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.30 1wbi h TRP 108 Cb 0.50 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 1wbi h TRP 108 CO -0.00 0.00 -0.36 0.44 -1.28 0.00 0.00 178.44 177.24 1wbi n ILE 109 N -4.02 0.07 1.11 0.12 -5.35 -0.77 -4.58 119.36 105.94 1wbi n ILE 109 Ca 0.10 -0.05 0.12 0.00 -0.27 0.00 0.00 62.75 62.65 1wbi n ILE 109 Cb 0.67 -0.05 0.34 0.00 -1.74 0.00 0.00 39.64 38.87 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 -1.55 2.51 -3.92 -1.28 0.00 -0.76 -4.81 120.51 110.70 1wbi n ALA 110 Ca 0.06 -0.61 -0.28 0.00 0.00 0.00 0.00 53.44 52.60 1wbi n ALA 110 Cb 0.35 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.84 1.20 0.19 0.00 2.01 -1.26 -0.59 115.64 115.35 1wbi s THR 111 Ca 0.34 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 1wbi s THR 111 Cb 0.20 -1.31 -0.06 0.00 0.01 0.00 0.00 72.50 71.33 1wbi s THR 111 CO 0.30 0.21 0.46 -0.13 -0.69 0.00 0.00 174.62 174.77 1wbi s ARG 112 N 1.61 3.71 0.05 4.92 0.52 -0.34 -4.94 118.95 124.48 1wbi s ARG 112 Ca 0.02 0.09 0.06 0.00 -0.52 0.00 0.00 55.73 55.38 1wbi s ARG 112 Cb -0.15 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 1wbi s ARG 112 CO -0.08 0.39 -0.18 0.54 0.02 0.00 0.00 175.30 175.99 1wbi s VAL 113 N -1.74 1.46 0.00 3.52 0.11 -1.26 -1.02 120.40 121.47 1wbi s VAL 113 Ca 0.44 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 1wbi s VAL 113 Cb -0.12 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1wbi s VAL 113 CO 0.23 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 1wbi n GLY 114 N 1.78 2.09 3.05 6.54 0.00 -0.57 -5.00 105.19 113.07 1wbi n GLY 114 Ca -0.18 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 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 0.78 0.38 -0.06 1.61 4.22 -1.26 -1.01 114.94 119.60 1wbi s ASN 115 Ca 0.00 -0.80 -0.16 0.00 -2.14 0.00 0.00 52.86 49.76 1wbi s ASN 115 Cb 0.00 0.17 0.03 0.00 1.28 0.00 0.00 41.25 42.73 1wbi s ASN 115 CO 0.00 -0.49 0.38 0.20 -2.04 0.00 0.00 177.10 175.15 1wbi s ASN 116 N -2.35 -0.31 -0.14 3.54 0.02 -0.57 -4.94 114.94 110.19 1wbi s ASN 116 Ca -0.02 0.37 -0.03 0.00 -1.02 0.00 0.00 52.86 52.16 1wbi s ASN 116 Cb 0.01 0.49 -0.03 0.00 0.02 0.00 0.00 41.25 41.74 1wbi s ASN 116 CO -0.06 -0.37 -0.04 -1.81 0.02 0.00 0.00 177.10 174.83 1wbi s ASP 117 N -0.85 4.82 0.01 -1.22 1.01 -1.26 -1.10 116.67 118.06 1wbi s ASP 117 Ca -0.09 -0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.12 1wbi s ASP 117 Cb -0.04 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 1wbi s ASP 117 CO 0.04 0.21 -0.14 -0.36 0.21 0.00 0.00 175.17 175.13 1wbi s PHE 118 N 0.14 2.69 0.22 4.23 0.08 -0.01 -2.59 117.98 122.74 1wbi s PHE 118 Ca -0.01 -0.17 0.03 0.00 0.12 0.00 0.00 56.93 56.90 1wbi s PHE 118 Cb -0.14 -1.55 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 1wbi s PHE 118 CO 0.03 0.27 -0.00 0.95 -0.10 0.00 0.00 175.22 176.36 1wbi s THR 119 N -0.89 0.98 0.30 0.64 -4.23 -0.60 -0.72 115.64 111.12 1wbi s THR 119 Ca 0.14 -2.03 -0.29 0.00 -1.18 0.00 0.00 61.69 58.33 1wbi s THR 119 Cb -0.11 -2.32 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 1wbi s THR 119 CO 0.05 -0.34 1.42 -0.13 -0.54 0.00 0.00 174.62 175.08 1wbi s ARG 120 N -3.87 4.26 0.41 3.99 0.52 -1.26 -1.11 118.95 121.89 1wbi s ARG 120 Ca 0.28 2.34 -0.25 0.00 -0.52 0.00 0.00 55.73 57.58 1wbi s ARG 120 Cb 0.06 -3.07 -0.08 0.00 0.52 0.00 0.00 34.95 32.37 1wbi s ARG 120 CO 0.08 -0.38 1.20 -1.14 0.02 0.00 0.00 175.30 175.08 1wbi s GLN 121 N -1.09 4.00 0.00 3.54 0.74 -0.22 -4.73 119.66 121.90 1wbi s GLN 121 Ca 0.55 1.91 0.24 0.00 0.05 0.00 0.00 55.36 58.11 1wbi s GLN 121 Cb -0.42 -2.67 1.46 0.00 1.10 0.00 0.00 33.01 32.47 1wbi s GLN 121 CO 0.50 -0.38 1.82 1.58 -0.55 0.00 0.00 175.29 178.25