#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 4.30 0.60 0.00 3.52 -1.26 -5.02 118.95 121.09 1wbi s ARG 2 Ca 0.00 1.25 -0.19 0.00 -0.13 0.00 0.00 55.73 56.66 1wbi s ARG 2 Cb 0.00 -2.41 -0.03 0.00 -1.56 0.00 0.00 34.95 30.95 1wbi s ARG 2 CO 0.00 0.02 1.22 0.15 -0.81 0.00 0.00 175.30 175.88 1wbi s LYS 3 N -2.76 2.90 -1.73 5.12 -0.14 -1.26 -2.75 119.74 119.11 1wbi s LYS 3 Ca 0.58 1.86 0.00 0.00 -1.36 0.00 0.00 55.97 57.05 1wbi s LYS 3 Cb -0.14 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.09 1wbi s LYS 3 CO 0.19 -1.27 0.00 0.00 -0.76 0.00 0.00 175.35 173.50 1wbi s SER 5 N -2.52 7.03 0.56 0.00 0.15 -1.11 -4.84 113.70 112.96 1wbi s SER 5 Ca 0.00 1.26 0.34 0.00 0.70 0.00 0.00 55.95 58.24 1wbi s SER 5 Cb 0.00 -2.47 1.49 0.00 -1.71 0.00 0.00 66.02 63.33 1wbi s SER 5 CO 0.00 -0.34 2.03 -0.07 1.20 0.00 0.00 173.24 176.07 1wbi h LEU 6 N 7.86 0.00 -9.20 3.45 3.38 -1.92 -3.44 115.31 115.44 1wbi h LEU 6 Ca -0.33 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.95 1wbi h LEU 6 Cb 1.15 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.97 1wbi h LEU 6 CO 0.82 0.03 0.19 0.41 0.09 0.00 0.00 178.44 179.98 1wbi n THR 7 N -3.16 0.52 0.00 0.22 -1.04 -1.26 -4.58 114.28 104.98 1wbi n THR 7 Ca -0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1wbi n THR 7 Cb 0.28 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 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 2.01 0.64 3.33 3.41 0.00 -0.58 -4.93 105.19 109.07 1wbi n GLY 8 Ca 0.17 -2.14 -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 -0.78 3.01 0.06 1.61 8.01 -1.26 -0.86 118.70 128.49 1wbi s GLU 9 Ca 0.00 -0.78 0.03 0.00 0.01 0.00 0.00 54.97 54.23 1wbi s GLU 9 Cb 0.00 -2.42 -0.03 0.00 -4.31 0.00 0.00 34.13 27.37 1wbi s GLU 9 CO 0.00 0.30 -0.10 -1.58 0.01 0.00 0.00 175.26 173.89 1wbi s TRP 10 N 0.09 0.88 0.26 1.61 0.52 0.09 -0.92 118.94 121.47 1wbi s TRP 10 Ca -0.08 -0.55 0.04 0.00 0.02 0.00 0.00 56.10 55.54 1wbi s TRP 10 Cb -0.15 -0.51 -0.06 0.00 -1.15 0.00 0.00 33.47 31.61 1wbi s TRP 10 CO 0.05 -0.04 -0.01 0.16 0.02 0.00 0.00 176.95 177.13 1wbi s ASP 11 N -1.87 2.18 0.50 2.95 1.47 -0.03 -0.98 116.67 120.89 1wbi s ASP 11 Ca -0.04 -1.23 0.02 0.00 1.18 0.00 0.00 52.55 52.47 1wbi s ASP 11 Cb -0.08 -0.06 -0.02 0.00 -0.34 0.00 0.00 42.92 42.43 1wbi s ASP 11 CO 0.00 -0.48 0.01 0.54 0.68 0.00 0.00 175.17 175.93 1wbi s ASN 12 N -3.37 4.06 0.44 2.11 2.20 -0.41 -1.32 114.94 118.65 1wbi s ASN 12 Ca 0.30 -1.64 0.30 0.00 -0.94 0.00 0.00 52.86 50.88 1wbi s ASN 12 Cb 0.06 0.48 1.46 0.00 -2.00 0.00 0.00 41.25 41.24 1wbi s ASN 12 CO 0.11 -0.84 1.91 -2.24 -2.94 0.00 0.00 177.10 173.10 1wbi h ASP 13 N 1.39 0.00 0.44 3.54 2.03 -1.85 -1.16 116.42 120.81 1wbi h ASP 13 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1wbi h ASP 13 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1wbi h ASP 13 CO 0.74 0.00 -0.53 0.18 -1.03 0.00 0.00 179.24 178.60 1wbi n LEU 14 N -2.63 0.58 0.00 0.15 4.77 -1.26 -4.95 117.00 113.67 1wbi n LEU 14 Ca -0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1wbi n LEU 14 Cb 0.16 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1wbi n LEU 14 CO 0.19 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1wbi n GLY 15 N 1.49 0.64 3.78 -0.72 0.00 -0.44 -4.72 105.19 105.22 1wbi n GLY 15 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.78 5.61 -0.05 1.61 0.01 -1.26 -4.58 113.70 112.26 1wbi s SER 16 Ca 0.00 2.07 0.04 0.00 1.31 0.00 0.00 55.95 59.37 1wbi s SER 16 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wbi s SER 16 CO 0.00 -1.29 -0.17 -0.63 0.41 0.00 0.00 173.24 171.56 1wbi s ILE 17 N -2.02 1.44 -0.03 1.44 1.01 -0.48 -1.29 121.20 121.28 1wbi s ILE 17 Ca 0.70 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1wbi s ILE 17 Cb -0.21 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1wbi s ILE 17 CO 0.31 0.42 -0.16 -0.32 0.00 0.00 0.00 174.94 175.20 1wbi s MET 18 N 0.20 1.46 -0.07 2.79 -2.45 -0.15 -0.52 119.30 120.56 1wbi s MET 18 Ca -0.08 -0.55 0.05 0.00 -1.25 0.00 0.00 55.69 53.86 1wbi s MET 18 Cb -0.13 -1.34 -0.00 0.00 1.25 0.00 0.00 34.83 34.61 1wbi s MET 18 CO 0.03 0.27 -0.23 0.99 1.05 0.00 0.00 175.02 177.13 1wbi s THR 19 N -0.11 1.92 -0.05 10.11 2.01 -0.16 -0.73 115.64 128.64 1wbi s THR 19 Ca 0.00 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.09 1wbi s THR 19 Cb -0.09 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1wbi s THR 19 CO 0.01 0.53 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.60 1wbi s ILE 20 N 0.08 2.20 0.00 1.82 1.01 -0.04 -0.80 121.20 125.47 1wbi s ILE 20 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1wbi s ILE 20 Cb -0.15 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1wbi s ILE 20 CO 0.05 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.18 1wbi n GLY 21 N 2.77 -0.67 3.77 6.18 0.00 0.47 -1.53 105.19 116.19 1wbi n GLY 21 Ca -0.17 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.84 3.48 -0.25 4.61 0.00 -1.26 -4.09 121.76 120.42 1wbi s ALA 22 Ca 0.00 1.35 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 1wbi s ALA 22 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1wbi s ALA 22 CO 0.00 -0.80 0.26 0.08 0.00 0.00 0.00 175.76 175.30 1wbi s VAL 23 N -1.15 5.28 0.62 0.00 1.01 -1.26 -4.56 120.40 120.34 1wbi s VAL 23 Ca 0.51 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.76 1wbi s VAL 23 Cb -0.42 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.51 1wbi s VAL 23 CO 0.55 0.27 0.84 -0.46 0.00 0.00 0.00 175.10 176.30 1wbi n ASN 24 N 4.70 0.03 0.26 3.32 0.23 -0.43 -4.86 115.26 118.50 1wbi n ASN 24 Ca -0.12 -1.30 0.08 0.00 -0.53 0.00 0.00 54.58 52.72 1wbi n ASN 24 Cb 0.52 -0.65 0.65 0.00 -2.08 0.00 0.00 39.78 38.22 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 -1.13 0.00 -0.41 0.53 3.32 -1.98 -1.74 116.42 115.01 1wbi h ASP 25 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1wbi h ASP 25 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1wbi h ASP 25 CO 0.19 0.04 0.00 0.59 -1.72 0.00 0.00 179.24 178.34 1wbi n ASN 26 N -4.40 2.83 0.00 6.45 3.02 -1.26 -4.93 115.26 116.97 1wbi n ASN 26 Ca -0.03 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1wbi n ASN 26 Cb 0.12 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.37 0.75 3.80 7.41 0.00 -0.65 -4.79 105.19 113.07 1wbi n GLY 27 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.48 4.31 0.04 1.61 2.02 -1.26 -0.80 118.70 124.14 1wbi s GLU 28 Ca 0.00 1.28 -0.22 0.00 0.02 0.00 0.00 54.97 56.05 1wbi s GLU 28 Cb 0.00 -2.46 0.05 0.00 0.10 0.00 0.00 34.13 31.82 1wbi s GLU 28 CO 0.00 0.03 0.51 -0.59 0.02 0.00 0.00 175.26 175.24 1wbi s PHE 29 N -1.88 -0.42 0.55 1.61 -0.12 -0.32 -1.32 117.98 116.09 1wbi s PHE 29 Ca 0.57 0.49 0.03 0.00 -0.05 0.00 0.00 56.93 57.97 1wbi s PHE 29 Cb -0.15 0.33 0.02 0.00 -0.63 0.00 0.00 43.02 42.59 1wbi s PHE 29 CO 0.20 -0.62 0.21 0.16 -0.05 0.00 0.00 175.22 175.12 1wbi s ASP 30 N -1.89 4.39 0.00 1.98 1.47 -1.26 -0.72 116.67 120.64 1wbi s ASP 30 Ca -0.06 -1.50 0.00 0.00 1.18 0.00 0.00 52.55 52.17 1wbi s ASP 30 Cb -0.01 0.62 0.00 0.00 -0.34 0.00 0.00 42.92 43.19 1wbi s ASP 30 CO -0.01 -1.05 0.00 0.61 0.68 0.00 0.00 175.17 175.40 1wbi n GLY 31 N -1.57 -1.35 3.20 2.12 0.00 -0.98 -0.40 105.19 106.21 1wbi n GLY 31 Ca -0.12 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.53 1.05 -0.05 2.61 -4.23 0.02 -1.57 115.64 110.93 1wbi s THR 32 Ca 0.00 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 1wbi s THR 32 Cb 0.00 -1.51 0.04 0.00 1.34 0.00 0.00 72.50 72.36 1wbi s THR 32 CO 0.00 -0.59 0.10 -0.47 -0.54 0.00 0.00 174.62 173.12 1wbi s TYR 33 N -2.64 -0.06 -0.41 3.99 5.04 0.44 -0.98 117.35 122.72 1wbi s TYR 33 Ca 0.09 0.37 -0.05 0.00 -2.44 0.00 0.00 57.07 55.04 1wbi s TYR 33 Cb -0.02 -0.26 0.10 0.00 0.35 0.00 0.00 41.96 42.13 1wbi s TYR 33 CO 0.00 -0.18 0.21 0.42 -1.34 0.00 0.00 175.55 174.67 1wbi s ILE 34 N 1.64 3.53 0.35 3.14 1.01 0.32 -1.47 121.20 129.71 1wbi s ILE 34 Ca -0.03 -1.84 -0.27 0.00 0.00 0.00 0.00 60.65 58.51 1wbi s ILE 34 Cb -0.12 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 1wbi s ILE 34 CO -0.04 -0.61 1.13 0.28 0.00 0.00 0.00 174.94 175.69 1wbi s THR 35 N 1.23 3.37 -0.68 2.92 -1.32 -1.26 -1.38 115.64 118.51 1wbi s THR 35 Ca 0.06 1.24 0.26 0.00 -1.21 0.00 0.00 61.69 62.03 1wbi s THR 35 Cb -0.23 -3.73 0.27 0.00 -1.51 0.00 0.00 72.50 67.30 1wbi s THR 35 CO -0.02 0.19 1.71 0.00 -2.21 0.00 0.00 174.62 174.28 1wbi h ALA 36 N 3.15 0.96 -2.75 11.08 0.00 -1.84 -3.47 119.26 126.37 1wbi h ALA 36 Ca -0.48 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 1wbi h ALA 36 Cb 1.22 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.82 1wbi h ALA 36 CO 0.64 0.00 -0.70 0.14 0.00 0.00 0.00 179.25 179.34 1wbi s VAL 37 N -3.12 0.21 0.18 0.00 -7.23 -1.26 -5.02 120.40 104.16 1wbi s VAL 37 Ca 0.10 -1.23 -0.24 0.00 -1.81 0.00 0.00 61.98 58.79 1wbi s VAL 37 Cb 0.11 -0.72 0.05 0.00 0.56 0.00 0.00 36.38 36.39 1wbi s VAL 37 CO 0.62 -0.65 0.90 0.00 -0.31 0.00 0.00 175.10 175.66 1wbi s ALA 38 N -2.26 -1.56 0.26 1.32 0.00 -1.26 -4.97 121.76 113.29 1wbi s ALA 38 Ca -0.08 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1wbi s ALA 38 Cb -0.04 0.69 0.39 0.00 0.00 0.00 0.00 23.12 24.16 1wbi s ALA 38 CO -0.04 -1.03 1.86 -0.44 0.00 0.00 0.00 175.76 176.11 1wbi h ASP 39 N 2.00 0.90 -3.30 0.00 3.32 -2.03 -3.33 116.42 113.98 1wbi h ASP 39 Ca -0.23 0.02 -0.62 0.00 0.02 0.00 0.00 57.03 56.23 1wbi h ASP 39 Cb 1.24 -0.17 -0.41 0.00 0.22 0.00 0.00 39.33 40.21 1wbi h ASP 39 CO 0.25 0.56 -0.70 0.20 -1.72 0.00 0.00 179.24 177.83 1wbi s ASN 40 N -5.79 3.84 0.52 6.45 0.01 -1.26 -5.00 114.94 113.71 1wbi s ASN 40 Ca -0.12 -3.23 0.25 0.00 -0.71 0.00 0.00 52.86 49.04 1wbi s ASN 40 Cb 0.20 -1.26 1.45 0.00 0.41 0.00 0.00 41.25 42.04 1wbi s ASN 40 CO 0.80 -0.17 2.10 1.55 -1.51 0.00 0.00 177.10 179.87 1wbi h PRO 41 N 6.00 0.00 0.00 -0.60 0.13 -1.94 -0.90 132.00 134.69 1wbi h PRO 41 Ca 0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 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 0.59 0.10 -0.04 0.78 -0.23 0.00 0.00 178.00 179.19 1wbi h GLY 42 N 0.56 0.00 0.63 1.56 0.00 -1.94 -2.62 103.07 101.27 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 -0.30 0.70 0.00 0.00 0.00 176.54 176.95 1wbi n ASN 43 N -3.41 0.75 -4.70 0.19 4.13 -0.34 -4.97 115.26 106.91 1wbi n ASN 43 Ca -0.02 -0.60 -0.43 0.00 1.68 0.00 0.00 54.58 55.21 1wbi n ASN 43 Cb 0.17 0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.49 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 -0.98 0.21 -4.16 2.41 5.41 -0.99 -4.79 119.36 116.47 1wbi n ILE 44 Ca 0.10 -0.05 -0.11 0.00 1.00 0.00 0.00 62.75 63.69 1wbi n ILE 44 Cb 0.33 -1.80 -0.10 0.00 -0.71 0.00 0.00 39.64 37.36 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 0.83 0.72 0.17 1.39 -4.23 -1.26 -5.10 115.64 108.16 1wbi s THR 45 Ca 0.74 -1.82 -0.33 0.00 -1.18 0.00 0.00 61.69 59.10 1wbi s THR 45 Cb -0.57 -1.54 -0.16 0.00 1.34 0.00 0.00 72.50 71.57 1wbi s THR 45 CO 0.38 -0.79 1.21 -0.11 -0.54 0.00 0.00 174.62 174.77 1wbi n LEU 46 N 0.17 1.69 -4.14 4.79 0.00 -1.26 -4.70 117.00 113.55 1wbi n LEU 46 Ca -0.14 1.14 -0.18 0.00 0.00 0.00 0.00 56.01 56.84 1wbi n LEU 46 Cb 0.60 -1.23 -0.12 0.00 0.00 0.00 0.00 43.42 42.66 1wbi n LEU 46 CO 0.29 -1.19 -0.45 -0.44 0.00 0.00 0.00 177.39 175.60 1wbi s SER 47 N 0.08 1.48 0.48 1.96 0.01 -0.54 -4.67 113.70 112.50 1wbi s SER 47 Ca 0.74 -0.55 -0.13 0.00 1.31 0.00 0.00 55.95 57.32 1wbi s SER 47 Cb -0.84 -0.05 -0.07 0.00 0.21 0.00 0.00 66.02 65.27 1wbi s SER 47 CO 0.51 -0.07 0.90 -2.16 0.41 0.00 0.00 173.24 172.83 1wbi s PRO 48 N -1.51 3.82 0.09 12.44 0.04 -1.25 -0.42 135.00 148.20 1wbi s PRO 48 Ca -0.02 0.70 0.02 0.00 0.04 0.00 0.00 61.00 61.73 1wbi s PRO 48 Cb -0.09 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1wbi s PRO 48 CO 0.02 -0.21 -0.06 -0.48 0.04 0.00 0.00 177.00 176.30 1wbi s LEU 49 N -4.16 2.47 -0.08 -3.56 0.05 -0.61 -1.91 118.68 110.87 1wbi s LEU 49 Ca 0.55 -0.93 -0.06 0.00 0.05 0.00 0.00 54.13 53.73 1wbi s LEU 49 Cb -0.10 -0.07 0.03 0.00 -2.05 0.00 0.00 46.19 44.00 1wbi s LEU 49 CO 0.35 -0.43 0.21 -0.22 -0.55 0.00 0.00 176.35 175.70 1wbi s LEU 50 N -2.80 0.93 0.00 1.48 2.96 -0.64 -2.33 118.68 118.27 1wbi s LEU 50 Ca 0.08 0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 54.34 1wbi s LEU 50 Cb 0.03 0.65 0.03 0.00 0.50 0.00 0.00 46.19 47.41 1wbi s LEU 50 CO -0.04 -0.11 0.41 0.61 -1.32 0.00 0.00 176.35 175.90 1wbi n GLY 51 N 3.50 1.42 3.01 7.98 0.00 0.10 -1.05 105.19 120.15 1wbi n GLY 51 Ca -0.18 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.52 -0.01 0.17 -0.61 1.01 -0.55 -1.17 121.20 117.52 1wbi s ILE 52 Ca 0.08 0.05 0.10 0.00 0.00 0.00 0.00 60.65 60.88 1wbi s ILE 52 Cb -0.02 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1wbi s ILE 52 CO 0.05 0.02 -0.18 0.00 0.00 0.00 0.00 174.94 174.83 1wbi s GLN 53 N 0.38 1.74 0.64 2.79 -2.07 0.02 -1.72 119.66 121.44 1wbi s GLN 53 Ca -0.02 -1.37 -0.14 0.00 -1.82 0.00 0.00 55.36 52.00 1wbi s GLN 53 Cb -0.04 -2.00 -0.01 0.00 -1.09 0.00 0.00 33.01 29.87 1wbi s GLN 53 CO -0.02 0.43 1.07 -1.01 -1.32 0.00 0.00 175.29 174.45 1wbi s HIS 54 N -1.56 2.88 0.00 9.60 3.76 -0.46 -4.32 115.29 125.19 1wbi s HIS 54 Ca 0.21 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.64 1wbi s HIS 54 Cb -0.09 -3.04 0.00 0.00 1.11 0.00 0.00 32.58 30.57 1wbi s HIS 54 CO 0.11 -1.33 0.00 1.63 -0.85 0.00 0.00 174.74 174.31 1wbi n LYS 55 N -2.38 1.84 -0.05 1.40 5.02 -1.26 -4.78 118.16 117.96 1wbi n LYS 55 Ca 0.09 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 1wbi n LYS 55 Cb 0.53 -0.95 -0.06 0.00 -0.02 0.00 0.00 35.03 34.52 1wbi n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wbi h ARG 56 N 0.00 0.25 -6.93 1.97 3.08 -2.01 -3.44 114.38 107.31 1wbi h ARG 56 Ca 0.00 -0.09 -0.51 0.00 0.07 0.00 0.00 59.98 59.45 1wbi h ARG 56 Cb 0.37 -0.02 0.05 0.00 0.08 0.00 0.00 29.97 30.45 1wbi h ARG 56 CO 0.00 0.51 0.51 0.00 -1.07 0.00 0.00 179.97 179.92 1wbi s ALA 57 N -4.87 3.20 0.29 0.04 0.00 -1.26 -4.92 121.76 114.24 1wbi s ALA 57 Ca -0.14 0.98 0.29 0.00 0.00 0.00 0.00 51.96 53.08 1wbi s ALA 57 Cb 0.05 -3.38 1.33 0.00 0.00 0.00 0.00 23.12 21.12 1wbi s ALA 57 CO 0.72 -0.50 2.00 0.66 0.00 0.00 0.00 175.76 178.64 1wbi h SER 58 N 2.79 0.00 -2.30 0.00 4.64 -1.94 -3.30 113.55 113.44 1wbi h SER 58 Ca -0.49 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 1wbi h SER 58 Cb 1.23 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.91 1wbi h SER 58 CO 0.63 0.13 -0.66 0.00 -0.87 0.00 0.00 176.83 176.06 1wbi n GLN 59 N -3.42 2.15 -2.71 4.77 6.02 -1.26 -4.65 117.38 118.28 1wbi n GLN 59 Ca -0.01 -4.43 -0.33 0.00 -0.01 0.00 0.00 57.00 52.22 1wbi n GLN 59 Cb 0.30 -2.12 -0.06 0.00 1.02 0.00 0.00 30.24 29.39 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 -2.11 4.11 0.62 -1.09 0.04 -1.23 -4.61 135.00 130.72 1wbi s PRO 60 Ca 0.37 1.14 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 1wbi s PRO 60 Cb 0.12 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1wbi s PRO 60 CO -0.05 -0.14 0.99 0.95 0.04 0.00 0.00 177.00 178.79 1wbi s THR 61 N -2.21 4.29 0.11 1.26 -4.23 -1.26 -1.43 115.64 112.17 1wbi s THR 61 Ca 0.62 0.56 -0.25 0.00 -1.18 0.00 0.00 61.69 61.44 1wbi s THR 61 Cb -0.10 -3.71 0.07 0.00 1.34 0.00 0.00 72.50 70.10 1wbi s THR 61 CO 0.17 -0.88 0.79 0.72 -0.54 0.00 0.00 174.62 174.88 1wbi s PHE 62 N -3.13 -0.34 0.13 3.99 -0.12 -0.59 -1.36 117.98 116.56 1wbi s PHE 62 Ca 0.54 0.11 -0.13 0.00 -0.05 0.00 0.00 56.93 57.40 1wbi s PHE 62 Cb -0.11 0.59 0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1wbi s PHE 62 CO 0.51 -0.79 0.35 0.20 -0.05 0.00 0.00 175.22 175.44 1wbi s GLY 63 N -2.71 -0.03 0.14 1.99 0.00 -0.70 -1.35 107.32 104.66 1wbi s GLY 63 Ca 0.06 -0.36 -0.20 0.00 0.00 0.00 0.00 44.72 44.22 1wbi s GLY 63 CO -0.06 -0.51 0.51 -0.11 0.00 0.00 0.00 173.10 172.93 1wbi s PHE 64 N -3.86 -0.40 -0.10 1.90 -0.12 -0.08 -1.48 117.98 113.85 1wbi s PHE 64 Ca 0.07 0.16 0.01 0.00 -0.05 0.00 0.00 56.93 57.12 1wbi s PHE 64 Cb 0.02 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1wbi s PHE 64 CO -0.08 -0.77 -0.12 0.99 -0.05 0.00 0.00 175.22 175.18 1wbi s THR 65 N -3.67 3.19 -0.23 -4.49 2.01 -0.21 -0.75 115.64 111.49 1wbi s THR 65 Ca 0.01 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1wbi s THR 65 Cb 0.00 -2.31 -0.00 0.00 0.01 0.00 0.00 72.50 70.20 1wbi s THR 65 CO -0.12 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.64 1wbi s VAL 66 N -0.17 3.34 -0.60 3.82 1.01 0.32 -1.62 120.40 126.49 1wbi s VAL 66 Ca 0.00 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1wbi s VAL 66 Cb -0.13 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.75 1wbi s VAL 66 CO 0.03 0.35 0.80 -2.28 0.00 0.00 0.00 175.10 174.00 1wbi s HIS 67 N 1.45 2.87 0.10 5.22 5.65 -0.81 -1.83 115.29 127.95 1wbi s HIS 67 Ca 0.04 -0.66 -0.31 0.00 0.25 0.00 0.00 55.06 54.38 1wbi s HIS 67 Cb -0.15 -4.04 -0.08 0.00 -1.18 0.00 0.00 32.58 27.13 1wbi s HIS 67 CO -0.03 -1.38 1.48 -1.58 -0.65 0.00 0.00 174.74 172.58 1wbi s TRP 68 N 3.27 2.99 -1.69 3.88 0.52 -1.19 -3.85 118.94 122.87 1wbi s TRP 68 Ca 0.17 0.73 0.28 0.00 0.02 0.00 0.00 56.10 57.31 1wbi s TRP 68 Cb -0.20 -3.79 1.06 0.00 -1.15 0.00 0.00 33.47 29.38 1wbi s TRP 68 CO 0.10 -2.93 1.75 0.09 0.02 0.00 0.00 176.95 175.98 1wbi n ASN 69 N 4.46 0.68 -0.02 2.95 3.02 -1.26 -3.89 115.26 121.21 1wbi n ASN 69 Ca 0.13 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 1wbi n ASN 69 Cb 0.41 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 -0.83 0.01 -3.97 3.10 1.16 -1.26 -5.02 117.46 110.64 1wbi n PHE 70 Ca 0.14 -0.18 -0.12 0.00 -1.87 0.00 0.00 57.45 55.42 1wbi n PHE 70 Cb 0.30 -0.02 -0.02 0.00 -1.61 0.00 0.00 39.48 38.14 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 -0.39 0.44 0.00 5.98 1.04 -1.25 -4.97 113.70 114.54 1wbi s SER 71 Ca 0.01 -1.27 0.18 0.00 0.48 0.00 0.00 55.95 55.34 1wbi s SER 71 Cb 0.00 0.73 0.51 0.00 0.10 0.00 0.00 66.02 67.36 1wbi s SER 71 CO 0.00 -1.43 1.42 -0.62 0.98 0.00 0.00 173.24 173.59 1wbi n GLU 72 N -0.53 2.12 -2.24 4.02 -0.58 -1.26 -4.71 120.64 117.46 1wbi n GLU 72 Ca -0.03 -1.73 -0.30 0.00 -0.42 0.00 0.00 57.16 54.68 1wbi n GLU 72 Cb 0.61 -1.41 -0.00 0.00 -0.57 0.00 0.00 31.44 30.07 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 -1.21 6.31 0.01 1.62 0.01 -1.26 -4.35 113.70 114.83 1wbi s SER 73 Ca 0.34 1.27 0.02 0.00 1.31 0.00 0.00 55.95 58.89 1wbi s SER 73 Cb 0.18 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 1wbi s SER 73 CO 0.25 -0.71 -0.06 -0.89 0.41 0.00 0.00 173.24 172.24 1wbi s THR 74 N -2.92 0.46 0.13 1.44 2.01 -0.74 -3.19 115.64 112.82 1wbi s THR 74 Ca 0.53 -0.43 0.11 0.00 0.31 0.00 0.00 61.69 62.20 1wbi s THR 74 Cb -0.11 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1wbi s THR 74 CO 0.47 0.01 -0.26 -0.44 -0.69 0.00 0.00 174.62 173.71 1wbi s SER 75 N -0.47 3.21 0.04 3.53 0.01 -0.76 -0.59 113.70 118.68 1wbi s SER 75 Ca -0.01 -0.75 0.06 0.00 1.31 0.00 0.00 55.95 56.56 1wbi s SER 75 Cb -0.04 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1wbi s SER 75 CO -0.00 0.15 -0.17 0.68 0.41 0.00 0.00 173.24 174.31 1wbi s VAL 76 N -1.14 1.37 -0.03 3.43 -7.23 -0.26 -0.53 120.40 116.02 1wbi s VAL 76 Ca 0.13 -1.11 0.06 0.00 -1.81 0.00 0.00 61.98 59.26 1wbi s VAL 76 Cb -0.10 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.61 1wbi s VAL 76 CO 0.06 0.09 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.38 1wbi s PHE 77 N -0.84 1.88 0.01 2.82 0.08 0.07 -1.13 117.98 120.87 1wbi s PHE 77 Ca 0.04 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.67 1wbi s PHE 77 Cb -0.08 -1.23 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 1wbi s PHE 77 CO 0.02 -0.09 -0.03 0.54 -0.10 0.00 0.00 175.22 175.56 1wbi s VAL 78 N -0.32 0.21 0.00 -0.44 0.11 -0.34 -0.91 120.40 118.72 1wbi s VAL 78 Ca 0.04 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1wbi s VAL 78 Cb -0.09 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 1wbi s VAL 78 CO 0.00 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.19 1wbi n GLY 79 N 2.33 1.13 2.98 6.54 0.00 -0.45 -1.17 105.19 116.54 1wbi n GLY 79 Ca -0.18 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.27 0.41 -0.25 1.61 0.74 -0.82 -1.54 119.66 118.55 1wbi s GLN 80 Ca 0.00 -0.33 -0.12 0.00 0.05 0.00 0.00 55.36 54.96 1wbi s GLN 80 Cb 0.00 -0.33 -0.05 0.00 1.10 0.00 0.00 33.01 33.73 1wbi s GLN 80 CO 0.00 0.08 0.23 0.00 -0.55 0.00 0.00 175.29 175.05 1wbi s PHE 82 N 1.36 2.77 -0.09 0.00 0.08 -0.05 -3.54 117.98 118.51 1wbi s PHE 82 Ca 0.10 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.02 1wbi s PHE 82 Cb -0.14 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1wbi s PHE 82 CO 0.07 0.44 -0.10 0.08 -0.10 0.00 0.00 175.22 175.60 1wbi s VAL 83 N -1.24 1.11 0.86 -0.44 1.01 -1.26 -1.18 120.40 119.26 1wbi s VAL 83 Ca 0.22 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 1wbi s VAL 83 Cb -0.11 -1.06 0.18 0.00 0.00 0.00 0.00 36.38 35.38 1wbi s VAL 83 CO 0.14 0.37 1.19 1.51 0.00 0.00 0.00 175.10 178.31 1wbi s ASP 84 N 1.17 3.59 0.54 3.32 1.47 -0.71 -4.90 116.67 121.15 1wbi s ASP 84 Ca -0.05 -0.07 0.35 0.00 1.18 0.00 0.00 52.55 53.96 1wbi s ASP 84 Cb -0.14 -0.09 1.63 0.00 -0.34 0.00 0.00 42.92 43.98 1wbi s ASP 84 CO -0.02 -2.40 2.05 0.03 0.68 0.00 0.00 175.17 175.51 1wbi h ARG 85 N -1.18 0.00 -0.00 2.11 3.08 -2.01 0.04 114.38 116.42 1wbi h ARG 85 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1wbi h ARG 85 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1wbi h ARG 85 CO 0.37 0.00 -0.14 -1.13 -1.07 0.00 0.00 179.97 178.01 1wbi n SER 86 N -2.93 0.32 0.00 7.04 3.41 -1.26 -4.91 113.62 115.28 1wbi n SER 86 Ca -0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1wbi n SER 86 Cb 0.21 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.37 0.75 3.68 5.00 0.00 0.00 -5.04 105.19 110.94 1wbi n GLY 87 Ca 0.11 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.59 4.34 -0.03 1.61 2.20 -1.26 -4.75 119.74 121.26 1wbi s LYS 88 Ca 0.00 1.45 -0.18 0.00 -0.36 0.00 0.00 55.97 56.88 1wbi s LYS 88 Cb 0.00 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1wbi s LYS 88 CO 0.00 -0.47 0.49 -1.21 -0.36 0.00 0.00 175.35 173.80 1wbi s GLU 89 N 2.55 4.19 -0.05 4.03 2.02 -1.26 -1.73 118.70 128.45 1wbi s GLU 89 Ca 0.49 0.54 0.02 0.00 0.02 0.00 0.00 54.97 56.04 1wbi s GLU 89 Cb -0.19 -3.32 0.02 0.00 0.10 0.00 0.00 34.13 30.74 1wbi s GLU 89 CO 0.15 0.44 -0.09 0.08 0.02 0.00 0.00 175.26 175.86 1wbi s VAL 90 N -0.33 0.85 -0.33 2.63 1.01 -0.33 -4.45 120.40 119.45 1wbi s VAL 90 Ca 0.27 -0.32 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 1wbi s VAL 90 Cb -0.17 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 1wbi s VAL 90 CO 0.14 0.29 0.51 -0.76 0.00 0.00 0.00 175.10 175.28 1wbi s LEU 91 N 0.69 4.27 -0.35 3.92 1.43 0.03 -0.87 118.68 127.80 1wbi s LEU 91 Ca -0.12 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 1wbi s LEU 91 Cb -0.14 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 1wbi s LEU 91 CO 0.02 -0.44 0.38 -0.54 0.23 0.00 0.00 176.35 176.00 1wbi s LYS 92 N 2.38 3.50 0.15 1.70 -0.14 -0.56 -1.03 119.74 125.75 1wbi s LYS 92 Ca 0.19 -0.46 0.07 0.00 -1.36 0.00 0.00 55.97 54.42 1wbi s LYS 92 Cb -0.15 -3.83 -0.04 0.00 -1.68 0.00 0.00 37.83 32.13 1wbi s LYS 92 CO 0.13 -0.57 -0.16 0.95 -0.76 0.00 0.00 175.35 174.93 1wbi s THR 93 N 2.04 1.63 0.14 2.17 -4.23 -0.38 -1.94 115.64 115.07 1wbi s THR 93 Ca 0.12 -1.86 0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1wbi s THR 93 Cb -0.17 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 1wbi s THR 93 CO 0.12 -0.37 -0.20 -0.54 -0.54 0.00 0.00 174.62 173.09 1wbi s LYS 94 N -2.80 1.26 0.06 3.99 1.02 -0.32 -1.57 119.74 121.38 1wbi s LYS 94 Ca 0.13 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1wbi s LYS 94 Cb -0.05 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 1wbi s LYS 94 CO 0.05 0.32 -0.05 1.67 -0.92 0.00 0.00 175.35 176.42 1wbi s TRP 95 N -1.63 0.63 -0.06 3.18 1.48 0.06 -1.20 118.94 121.40 1wbi s TRP 95 Ca 0.13 -0.92 0.04 0.00 -1.06 0.00 0.00 56.10 54.30 1wbi s TRP 95 Cb -0.08 -0.41 -0.00 0.00 -1.16 0.00 0.00 33.47 31.82 1wbi s TRP 95 CO 0.06 -0.26 -0.19 -0.51 -4.06 0.00 0.00 176.95 171.99 1wbi s LEU 96 N -2.70 1.93 -0.18 -4.66 1.43 -0.29 -1.92 118.68 112.29 1wbi s LEU 96 Ca 0.05 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1wbi s LEU 96 Cb 0.04 -1.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 1wbi s LEU 96 CO -0.06 0.15 -0.09 -1.58 0.23 0.00 0.00 176.35 175.00 1wbi s GLN 97 N 0.13 3.35 -0.24 1.70 0.74 0.06 -1.10 119.66 124.29 1wbi s GLN 97 Ca -0.07 -0.66 -0.09 0.00 0.05 0.00 0.00 55.36 54.58 1wbi s GLN 97 Cb -0.13 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 1wbi s GLN 97 CO 0.04 -0.04 0.13 0.50 -0.55 0.00 0.00 175.29 175.37 1wbi s ARG 98 N 1.02 3.95 0.21 1.67 6.06 0.25 -1.01 118.95 131.09 1wbi s ARG 98 Ca -0.00 -0.34 -0.13 0.00 -2.50 0.00 0.00 55.73 52.77 1wbi s ARG 98 Cb -0.15 -3.46 -0.07 0.00 0.06 0.00 0.00 34.95 31.33 1wbi s ARG 98 CO -0.01 0.00 0.58 -0.51 -2.50 0.00 0.00 175.30 172.87 1wbi s LEU 99 N 1.18 4.22 -0.14 -0.88 1.43 0.25 -1.80 118.68 122.94 1wbi s LEU 99 Ca 0.06 1.05 -0.27 0.00 -1.03 0.00 0.00 54.13 53.95 1wbi s LEU 99 Cb -0.14 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1wbi s LEU 99 CO 0.05 -0.02 0.88 0.00 0.23 0.00 0.00 176.35 177.49 1wbi s ALA 100 N -1.70 3.46 0.20 4.21 0.00 -1.26 -4.84 121.76 121.84 1wbi s ALA 100 Ca 0.45 0.16 0.10 0.00 0.00 0.00 0.00 51.96 52.67 1wbi s ALA 100 Cb -0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1wbi s ALA 100 CO 0.20 -0.59 -0.12 0.14 0.00 0.00 0.00 175.76 175.39 1wbi s VAL 101 N 2.00 3.01 -0.41 0.00 -7.23 -1.26 -5.06 120.40 111.44 1wbi s VAL 101 Ca 0.42 -1.82 0.23 0.00 -1.81 0.00 0.00 61.98 59.00 1wbi s VAL 101 Cb -0.17 -2.51 0.09 0.00 0.56 0.00 0.00 36.38 34.35 1wbi s VAL 101 CO 0.15 -0.17 1.26 0.44 -0.31 0.00 0.00 175.10 176.47 1wbi h ASP 102 N 2.78 0.00 -3.31 4.85 3.32 -1.97 -3.44 116.42 118.65 1wbi h ASP 102 Ca -0.46 -0.06 -0.60 0.00 0.02 0.00 0.00 57.03 55.93 1wbi h ASP 102 Cb 1.22 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.43 1wbi h ASP 102 CO 0.54 0.03 -0.85 -0.62 -1.72 0.00 0.00 179.24 176.63 1wbi s ASP 103 N -5.17 2.54 0.51 6.45 -1.08 -1.26 -5.02 116.67 113.64 1wbi s ASP 103 Ca 0.03 -0.45 0.30 0.00 -0.52 0.00 0.00 52.55 51.91 1wbi s ASP 103 Cb 0.10 -1.16 1.41 0.00 -1.46 0.00 0.00 42.92 41.82 1wbi s ASP 103 CO 0.74 0.06 1.83 -0.29 0.52 0.00 0.00 175.17 178.03 1wbi h ILE 104 N 5.88 0.50 0.00 4.11 2.10 -2.02 0.22 117.51 128.30 1wbi h ILE 104 Ca -0.28 -0.03 -0.00 0.00 1.08 0.00 0.00 64.86 65.62 1wbi h ILE 104 Cb 1.20 0.39 -0.00 0.00 -1.09 0.00 0.00 36.82 37.31 1wbi h ILE 104 CO 0.49 0.02 -0.00 0.77 -1.08 0.00 0.00 178.15 178.35 1wbi h SER 105 N 0.10 0.00 -0.65 2.19 4.64 -1.99 -1.86 113.55 115.99 1wbi h SER 105 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1wbi h SER 105 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1wbi h SER 105 CO -0.07 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.36 1wbi n ASP 106 N -3.09 3.47 -0.20 4.97 8.00 0.07 -4.55 116.55 125.22 1wbi n ASP 106 Ca -0.03 -2.00 0.16 0.00 0.71 0.00 0.00 54.79 53.63 1wbi n ASP 106 Cb 0.08 -0.43 0.49 0.00 -0.02 0.00 0.00 41.12 41.23 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 3.81 0.44 -0.09 -2.24 3.58 -1.43 -2.01 116.42 118.48 1wbi h ASP 107 Ca 0.00 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.51 1wbi h ASP 107 Cb 0.87 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 1wbi h ASP 107 CO 0.00 0.21 0.11 4.11 -2.88 0.00 0.00 179.24 180.79 1wbi h TRP 108 N 0.46 0.00 0.00 0.28 5.08 -1.84 -2.43 115.95 117.50 1wbi h TRP 108 Ca 0.41 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.38 1wbi h TRP 108 Cb 0.92 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.08 1wbi h TRP 108 CO -0.00 0.00 -0.28 1.51 -1.28 0.00 0.00 178.44 178.38 1wbi n ILE 109 N -3.79 0.08 1.08 0.12 3.06 -0.75 -4.57 119.36 114.58 1wbi n ILE 109 Ca -0.01 -0.05 0.12 0.00 -2.50 0.00 0.00 62.75 60.32 1wbi n ILE 109 Cb 0.21 -0.14 0.23 0.00 0.54 0.00 0.00 39.64 40.47 1wbi n ILE 109 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1wbi n ALA 110 N -1.56 2.49 -4.01 1.51 0.00 -0.91 -4.83 120.51 113.19 1wbi n ALA 110 Ca 0.06 -0.65 -0.30 0.00 0.00 0.00 0.00 53.44 52.55 1wbi n ALA 110 Cb 0.36 -0.92 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.95 1.56 0.16 0.00 2.01 -1.26 -0.58 115.64 115.58 1wbi s THR 111 Ca 0.32 -0.65 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1wbi s THR 111 Cb 0.20 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1wbi s THR 111 CO 0.31 0.43 0.33 -0.13 -0.69 0.00 0.00 174.62 174.87 1wbi s ARG 112 N 1.49 3.50 0.07 4.92 0.52 -0.18 -4.94 118.95 124.31 1wbi s ARG 112 Ca 0.04 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.92 1wbi s ARG 112 Cb -0.13 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1wbi s ARG 112 CO -0.10 0.47 -0.17 0.54 0.02 0.00 0.00 175.30 176.06 1wbi s VAL 113 N -1.75 1.36 0.00 3.52 0.11 -1.26 -0.76 120.40 121.61 1wbi s VAL 113 Ca 0.37 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 1wbi s VAL 113 Cb -0.11 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 1wbi s VAL 113 CO 0.28 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.61 1wbi n GLY 114 N 1.47 1.50 3.09 6.54 0.00 -0.81 -5.00 105.19 111.99 1wbi n GLY 114 Ca -0.19 -0.81 -0.07 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 0.32 0.42 -0.18 1.61 4.22 -1.26 -0.76 114.94 119.30 1wbi s ASN 115 Ca 0.00 -0.89 -0.19 0.00 -2.14 0.00 0.00 52.86 49.64 1wbi s ASN 115 Cb 0.00 0.20 0.05 0.00 1.28 0.00 0.00 41.25 42.79 1wbi s ASN 115 CO 0.00 -0.58 0.53 0.20 -2.04 0.00 0.00 177.10 175.21 1wbi s ASN 116 N -2.73 -0.54 -0.16 3.54 0.02 -0.61 -4.94 114.94 109.52 1wbi s ASN 116 Ca 0.04 1.01 -0.06 0.00 -1.02 0.00 0.00 52.86 52.83 1wbi s ASN 116 Cb 0.05 1.02 -0.04 0.00 0.02 0.00 0.00 41.25 42.31 1wbi s ASN 116 CO -0.09 -0.21 0.03 -1.81 0.02 0.00 0.00 177.10 175.04 1wbi s ASP 117 N 0.15 5.43 0.01 -1.22 1.01 -1.26 -1.25 116.67 119.53 1wbi s ASP 117 Ca -0.01 0.07 0.05 0.00 0.71 0.00 0.00 52.55 53.37 1wbi s ASP 117 Cb -0.04 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 1wbi s ASP 117 CO 0.01 0.22 -0.14 -0.36 0.21 0.00 0.00 175.17 175.11 1wbi s PHE 118 N 0.09 2.68 0.12 4.23 0.08 -0.20 -2.74 117.98 122.24 1wbi s PHE 118 Ca 0.04 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 56.94 1wbi s PHE 118 Cb -0.13 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1wbi s PHE 118 CO 0.01 0.28 -0.07 0.95 -0.10 0.00 0.00 175.22 176.28 1wbi s THR 119 N -0.91 0.84 0.40 0.64 -4.23 -0.43 -0.79 115.64 111.15 1wbi s THR 119 Ca 0.15 -1.98 -0.27 0.00 -1.18 0.00 0.00 61.69 58.41 1wbi s THR 119 Cb -0.11 -1.75 -0.10 0.00 1.34 0.00 0.00 72.50 71.88 1wbi s THR 119 CO 0.05 -0.82 1.41 -0.13 -0.54 0.00 0.00 174.62 174.59 1wbi s ARG 120 N -3.81 4.00 0.00 3.99 0.52 -1.26 -0.85 118.95 121.54 1wbi s ARG 120 Ca 0.14 2.39 0.23 0.00 -0.52 0.00 0.00 55.73 57.97 1wbi s ARG 120 Cb 0.04 -2.86 1.35 0.00 0.52 0.00 0.00 34.95 34.01 1wbi s ARG 120 CO -0.03 -0.55 1.72 0.94 0.02 0.00 0.00 175.30 177.40