#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 3.88 0.44 0.00 3.52 -1.26 -4.99 118.95 120.54 1wbi s ARG 2 Ca 0.00 1.75 -0.24 0.00 -0.13 0.00 0.00 55.73 57.10 1wbi s ARG 2 Cb 0.00 -2.48 -0.08 0.00 -1.56 0.00 0.00 34.95 30.83 1wbi s ARG 2 CO 0.00 -0.44 1.27 0.15 -0.81 0.00 0.00 175.30 175.47 1wbi s LYS 3 N -2.59 3.78 -1.29 5.12 -0.14 -1.26 -2.88 119.74 120.49 1wbi s LYS 3 Ca 0.61 2.06 0.00 0.00 -1.36 0.00 0.00 55.97 57.28 1wbi s LYS 3 Cb -0.28 -2.58 0.00 0.00 -1.68 0.00 0.00 37.83 33.29 1wbi s LYS 3 CO 0.34 -0.62 0.00 0.00 -0.76 0.00 0.00 175.35 174.32 1wbi s SER 5 N -2.81 7.24 0.40 0.00 0.15 -1.14 -4.84 113.70 112.70 1wbi s SER 5 Ca 0.00 1.73 0.28 0.00 0.70 0.00 0.00 55.95 58.65 1wbi s SER 5 Cb 0.00 -2.57 1.00 0.00 -1.71 0.00 0.00 66.02 62.74 1wbi s SER 5 CO 0.00 -0.39 1.81 -0.07 1.20 0.00 0.00 173.24 175.79 1wbi h LEU 6 N 7.26 0.00 -9.21 3.45 3.38 -1.92 -3.45 115.31 114.82 1wbi h LEU 6 Ca -0.38 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.90 1wbi h LEU 6 Cb 1.19 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.01 1wbi h LEU 6 CO 0.80 0.00 0.17 0.41 0.09 0.00 0.00 178.44 179.92 1wbi n THR 7 N -2.72 0.62 0.00 0.22 -1.04 -1.26 -4.55 114.28 105.55 1wbi n THR 7 Ca 0.02 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1wbi n THR 7 Cb 0.34 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 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 1.99 0.66 3.34 3.41 0.00 -0.02 -4.93 105.19 109.64 1wbi n GLY 8 Ca 0.17 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.96 2.93 0.07 1.61 8.01 -1.26 0.00 118.70 129.11 1wbi s GLU 9 Ca 0.00 -0.78 0.03 0.00 0.01 0.00 0.00 54.97 54.24 1wbi s GLU 9 Cb 0.00 -2.40 -0.03 0.00 -4.31 0.00 0.00 34.13 27.39 1wbi s GLU 9 CO 0.00 0.34 -0.10 -1.58 0.01 0.00 0.00 175.26 173.93 1wbi s TRP 10 N -0.01 0.93 0.14 1.61 0.52 -0.03 -1.54 118.94 120.56 1wbi s TRP 10 Ca -0.06 -0.60 0.03 0.00 0.02 0.00 0.00 56.10 55.49 1wbi s TRP 10 Cb -0.15 -0.53 -0.04 0.00 -1.15 0.00 0.00 33.47 31.60 1wbi s TRP 10 CO 0.05 -0.04 -0.06 0.16 0.02 0.00 0.00 176.95 177.08 1wbi s ASP 11 N -2.10 1.38 0.52 2.95 1.47 -0.36 -1.02 116.67 119.50 1wbi s ASP 11 Ca -0.00 -1.06 0.02 0.00 1.18 0.00 0.00 52.55 52.68 1wbi s ASP 11 Cb -0.06 0.07 -0.01 0.00 -0.34 0.00 0.00 42.92 42.59 1wbi s ASP 11 CO -0.00 -0.45 0.05 0.54 0.68 0.00 0.00 175.17 175.99 1wbi s ASN 12 N -3.12 4.20 0.57 2.11 2.20 -0.56 -1.29 114.94 119.05 1wbi s ASN 12 Ca 0.17 -1.61 0.38 0.00 -0.94 0.00 0.00 52.86 50.86 1wbi s ASN 12 Cb 0.05 0.52 1.90 0.00 -2.00 0.00 0.00 41.25 41.72 1wbi s ASN 12 CO -0.00 -0.89 2.14 -2.24 -2.94 0.00 0.00 177.10 173.17 1wbi h ASP 13 N 1.27 0.00 0.53 3.54 2.03 -1.84 -0.82 116.42 121.12 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 -0.43 0.18 -1.03 0.00 0.00 179.24 178.68 1wbi n LEU 14 N -2.94 0.48 0.00 0.15 4.77 -1.26 -4.95 117.00 113.26 1wbi n LEU 14 Ca -0.01 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1wbi n LEU 14 Cb 0.14 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1wbi n LEU 14 CO 0.21 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1wbi n GLY 15 N 1.48 0.77 3.77 -0.72 0.00 -0.31 -4.75 105.19 105.43 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 -2.44 5.41 -0.05 1.61 0.01 -1.26 -4.60 113.70 112.39 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 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wbi s SER 16 CO 0.00 -1.43 -0.19 -0.63 0.41 0.00 0.00 173.24 171.40 1wbi s ILE 17 N -2.01 1.59 0.04 1.44 1.01 -0.41 -1.49 121.20 121.37 1wbi s ILE 17 Ca 0.71 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1wbi s ILE 17 Cb -0.23 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1wbi s ILE 17 CO 0.34 0.45 -0.10 0.00 0.00 0.00 0.00 174.94 175.63 1wbi s MET 18 N 0.02 0.65 -0.15 2.79 0.23 -0.19 -0.24 119.30 122.42 1wbi s MET 18 Ca -0.05 -0.67 0.02 0.00 -1.03 0.00 0.00 55.69 53.97 1wbi s MET 18 Cb -0.12 -0.55 0.01 0.00 -1.53 0.00 0.00 34.83 32.64 1wbi s MET 18 CO 0.03 0.13 -0.20 -0.08 -2.03 0.00 0.00 175.02 172.86 1wbi s THR 19 N -0.98 1.96 -0.09 3.16 -1.32 -0.24 -0.85 115.64 117.27 1wbi s THR 19 Ca -0.04 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1wbi s THR 19 Cb -0.08 -1.75 -0.03 0.00 -1.51 0.00 0.00 72.50 69.14 1wbi s THR 19 CO 0.01 0.53 -0.09 -0.63 -2.21 0.00 0.00 174.62 172.22 1wbi s ILE 20 N 1.00 3.47 0.00 5.08 1.01 0.10 -1.21 121.20 130.65 1wbi s ILE 20 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1wbi s ILE 20 Cb -0.15 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.89 1wbi s ILE 20 CO -0.05 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1wbi n GLY 21 N 2.74 -0.03 3.77 6.18 0.00 -0.44 -0.84 105.19 116.57 1wbi n GLY 21 Ca -0.18 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.55 3.56 -0.21 4.61 0.00 -1.26 -4.04 121.76 120.87 1wbi s ALA 22 Ca 0.00 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.18 1wbi s ALA 22 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1wbi s ALA 22 CO 0.00 -0.81 0.46 0.08 0.00 0.00 0.00 175.76 175.49 1wbi s VAL 23 N -0.82 5.14 0.79 0.00 1.01 -1.26 -4.54 120.40 120.72 1wbi s VAL 23 Ca 0.53 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 1wbi s VAL 23 Cb -0.43 -3.79 0.18 0.00 0.00 0.00 0.00 36.38 32.35 1wbi s VAL 23 CO 0.54 0.19 1.08 -0.46 0.00 0.00 0.00 175.10 176.45 1wbi n ASN 24 N 4.79 0.23 0.18 3.32 0.23 -0.42 -4.85 115.26 118.74 1wbi n ASN 24 Ca -0.06 -1.48 0.14 0.00 -0.53 0.00 0.00 54.58 52.65 1wbi n ASN 24 Cb 0.51 -0.81 0.74 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.44 0.53 5.19 -1.98 -0.86 116.42 117.53 1wbi h ASP 25 Ca -0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1wbi h ASP 25 Cb 1.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1wbi h ASP 25 CO 0.26 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.97 1wbi n ASN 26 N -4.22 2.74 0.00 6.45 3.02 -1.26 -4.93 115.26 117.06 1wbi n ASN 26 Ca 0.01 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1wbi n ASN 26 Cb 0.28 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 1.34 0.61 3.80 7.41 0.00 -0.33 -4.78 105.19 113.24 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 -0.11 4.42 0.09 1.61 2.02 -1.26 -0.46 118.70 125.00 1wbi s GLU 28 Ca 0.00 1.10 -0.13 0.00 0.02 0.00 0.00 54.97 55.95 1wbi s GLU 28 Cb 0.00 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.41 1wbi s GLU 28 CO 0.00 0.34 0.31 -0.59 0.02 0.00 0.00 175.26 175.34 1wbi s PHE 29 N -1.57 -0.08 0.45 1.61 -0.12 -0.42 -1.30 117.98 116.56 1wbi s PHE 29 Ca 0.47 -0.21 0.03 0.00 -0.05 0.00 0.00 56.93 57.17 1wbi s PHE 29 Cb -0.18 0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1wbi s PHE 29 CO 0.22 -0.59 0.11 -0.40 -0.05 0.00 0.00 175.22 174.51 1wbi n ASP 30 N 0.08 1.82 0.00 1.98 5.68 -1.26 -0.75 116.55 124.10 1wbi n ASP 30 Ca -0.17 -3.29 0.00 0.00 -0.50 0.00 0.00 54.79 50.84 1wbi n ASP 30 Cb 0.62 0.90 0.00 0.00 -1.14 0.00 0.00 41.12 41.50 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 -1.04 -1.42 3.16 6.12 0.00 -0.96 -1.32 105.19 109.72 1wbi n GLY 31 Ca -0.10 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 1wbi n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wbi s THR 32 N -2.84 1.60 -0.11 2.61 2.01 -0.35 -1.41 115.64 117.14 1wbi s THR 32 Ca 0.00 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1wbi s THR 32 Cb 0.00 -1.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1wbi s THR 32 CO 0.00 0.46 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.80 1wbi s TYR 33 N 0.12 2.83 -0.34 4.92 5.04 0.13 -1.08 117.35 128.97 1wbi s TYR 33 Ca -0.07 -0.46 0.03 0.00 -2.44 0.00 0.00 57.07 54.13 1wbi s TYR 33 Cb -0.13 -1.81 0.10 0.00 0.35 0.00 0.00 41.96 40.46 1wbi s TYR 33 CO 0.04 -0.08 0.06 0.42 -1.34 0.00 0.00 175.55 174.64 1wbi s ILE 34 N 0.08 2.35 0.27 3.14 1.01 0.67 -2.07 121.20 126.66 1wbi s ILE 34 Ca -0.05 -2.31 -0.29 0.00 0.00 0.00 0.00 60.65 58.00 1wbi s ILE 34 Cb -0.14 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.51 1wbi s ILE 34 CO 0.04 -0.59 1.03 0.28 0.00 0.00 0.00 174.94 175.70 1wbi s THR 35 N 0.92 3.75 -0.82 2.92 -1.32 -1.26 -1.28 115.64 118.55 1wbi s THR 35 Ca 0.10 1.74 0.26 0.00 -1.21 0.00 0.00 61.69 62.59 1wbi s THR 35 Cb -0.19 -4.10 0.14 0.00 -1.51 0.00 0.00 72.50 66.84 1wbi s THR 35 CO -0.08 0.40 1.59 0.00 -2.21 0.00 0.00 174.62 174.32 1wbi n ALA 36 N 1.26 2.77 -2.30 11.08 0.00 -1.26 -4.91 120.51 127.14 1wbi n ALA 36 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1wbi n ALA 36 Cb 0.46 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1wbi n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wbi s VAL 37 N -3.08 0.47 0.15 0.00 -7.23 -1.26 -4.98 120.40 104.47 1wbi s VAL 37 Ca 0.10 -1.70 -0.25 0.00 -1.81 0.00 0.00 61.98 58.32 1wbi s VAL 37 Cb 0.15 -1.37 0.06 0.00 0.56 0.00 0.00 36.38 35.79 1wbi s VAL 37 CO 0.64 -0.82 0.96 0.00 -0.31 0.00 0.00 175.10 175.57 1wbi s ALA 38 N -3.25 -1.65 0.29 1.32 0.00 -1.26 -4.98 121.76 112.24 1wbi s ALA 38 Ca 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 1wbi s ALA 38 Cb 0.03 0.64 0.47 0.00 0.00 0.00 0.00 23.12 24.27 1wbi s ALA 38 CO -0.06 -1.04 1.91 -0.44 0.00 0.00 0.00 175.76 176.14 1wbi h ASP 39 N 2.00 0.96 -3.20 0.00 3.32 -2.02 -3.35 116.42 114.13 1wbi h ASP 39 Ca -0.24 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.22 1wbi h ASP 39 Cb 1.23 -0.21 -0.40 0.00 0.22 0.00 0.00 39.33 40.18 1wbi h ASP 39 CO 0.25 0.63 -0.76 0.21 -1.72 0.00 0.00 179.24 177.85 1wbi s ASN 40 N -6.04 3.71 0.58 6.45 3.84 -1.26 -5.01 114.94 117.22 1wbi s ASN 40 Ca -0.12 -2.10 0.36 0.00 0.21 0.00 0.00 52.86 51.22 1wbi s ASN 40 Cb 0.19 -0.85 1.67 0.00 -0.55 0.00 0.00 41.25 41.72 1wbi s ASN 40 CO 0.80 -0.34 2.10 1.55 -2.79 0.00 0.00 177.10 178.42 1wbi h PRO 41 N 7.40 0.00 0.00 0.43 0.13 -1.94 -0.53 132.00 137.48 1wbi h PRO 41 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1wbi h PRO 41 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1wbi h PRO 41 CO 0.44 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 1wbi n GLY 42 N -0.31 -0.84 0.61 1.56 0.00 -1.26 -2.28 105.19 102.68 1wbi n GLY 42 Ca -0.01 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1wbi n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wbi n ASN 43 N -1.47 2.24 -4.75 1.61 3.02 -0.21 -5.03 115.26 110.68 1wbi n ASN 43 Ca 0.03 -1.62 -0.41 0.00 -0.03 0.00 0.00 54.58 52.55 1wbi n ASN 43 Cb 0.12 0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 1wbi n ASN 43 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wbi s ILE 44 N -2.00 2.16 0.19 2.41 1.01 -0.96 -4.79 121.20 119.22 1wbi s ILE 44 Ca 0.20 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1wbi s ILE 44 Cb 0.16 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1wbi s ILE 44 CO 0.39 0.02 0.05 0.42 0.00 0.00 0.00 174.94 175.83 1wbi s THR 45 N 0.06 0.44 0.33 2.92 -4.23 -1.26 -5.10 115.64 108.80 1wbi s THR 45 Ca 0.63 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.88 1wbi s THR 45 Cb -0.47 -2.29 -0.10 0.00 1.34 0.00 0.00 72.50 70.97 1wbi s THR 45 CO 0.46 -0.28 1.40 -0.76 -0.54 0.00 0.00 174.62 174.90 1wbi s LEU 46 N -3.18 4.38 0.02 4.79 1.43 -1.26 -4.78 118.68 120.08 1wbi s LEU 46 Ca 0.30 2.80 0.03 0.00 -1.03 0.00 0.00 54.13 56.23 1wbi s LEU 46 Cb 0.07 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 1wbi s LEU 46 CO 0.07 -0.69 -0.08 -0.44 0.23 0.00 0.00 176.35 175.44 1wbi s SER 47 N -0.17 0.97 0.41 2.29 0.01 -0.88 -4.60 113.70 111.74 1wbi s SER 47 Ca 0.53 -0.32 -0.17 0.00 1.31 0.00 0.00 55.95 57.30 1wbi s SER 47 Cb -0.43 -0.05 -0.09 0.00 0.21 0.00 0.00 66.02 65.66 1wbi s SER 47 CO 0.54 -0.01 0.87 -2.16 0.41 0.00 0.00 173.24 172.88 1wbi s PRO 48 N -0.78 4.06 0.16 12.44 0.04 -1.25 0.19 135.00 149.86 1wbi s PRO 48 Ca -0.01 0.88 0.06 0.00 0.04 0.00 0.00 61.00 61.96 1wbi s PRO 48 Cb -0.06 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1wbi s PRO 48 CO 0.00 -0.02 -0.12 -0.48 0.04 0.00 0.00 177.00 176.43 1wbi s LEU 49 N -3.36 2.52 -0.15 -3.56 0.05 -0.50 -1.87 118.68 111.81 1wbi s LEU 49 Ca 0.58 -0.98 -0.10 0.00 0.05 0.00 0.00 54.13 53.68 1wbi s LEU 49 Cb -0.10 -0.47 0.05 0.00 -2.05 0.00 0.00 46.19 43.62 1wbi s LEU 49 CO 0.20 -0.25 0.38 -0.22 -0.55 0.00 0.00 176.35 175.90 1wbi s LEU 50 N -3.08 0.17 0.00 1.48 2.96 -0.45 -2.27 118.68 117.49 1wbi s LEU 50 Ca 0.17 0.80 -0.11 0.00 -0.22 0.00 0.00 54.13 54.77 1wbi s LEU 50 Cb 0.00 1.25 0.04 0.00 0.50 0.00 0.00 46.19 47.99 1wbi s LEU 50 CO 0.03 -0.17 0.59 0.61 -1.32 0.00 0.00 176.35 176.08 1wbi n GLY 51 N 3.83 1.28 2.86 7.98 0.00 0.07 -1.09 105.19 120.13 1wbi n GLY 51 Ca -0.20 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.34 0.01 0.19 -0.61 1.01 -0.42 -1.30 121.20 117.74 1wbi s ILE 52 Ca 0.12 0.01 0.11 0.00 0.00 0.00 0.00 60.65 60.89 1wbi s ILE 52 Cb -0.04 -0.03 -0.04 0.00 0.01 0.00 0.00 42.46 42.36 1wbi s ILE 52 CO 0.09 0.01 -0.22 0.00 0.00 0.00 0.00 174.94 174.83 1wbi s GLN 53 N 0.10 1.47 0.52 2.79 -2.07 0.39 -1.72 119.66 121.14 1wbi s GLN 53 Ca -0.01 -1.52 -0.20 0.00 -1.82 0.00 0.00 55.36 51.81 1wbi s GLN 53 Cb -0.01 -1.70 -0.07 0.00 -1.09 0.00 0.00 33.01 30.14 1wbi s GLN 53 CO -0.00 0.36 1.12 -1.01 -1.32 0.00 0.00 175.29 174.44 1wbi s HIS 54 N -1.85 2.76 -0.13 9.60 3.76 -0.56 -4.38 115.29 124.48 1wbi s HIS 54 Ca 0.20 1.55 0.04 0.00 -0.15 0.00 0.00 55.06 56.70 1wbi s HIS 54 Cb -0.07 -3.27 -0.11 0.00 1.11 0.00 0.00 32.58 30.24 1wbi s HIS 54 CO 0.09 -1.45 -0.08 1.63 -0.85 0.00 0.00 174.74 174.09 1wbi n LYS 55 N -1.10 0.88 0.02 1.40 5.02 -1.26 -4.74 118.16 118.37 1wbi n LYS 55 Ca 0.10 0.06 -0.19 0.00 -2.02 0.00 0.00 58.31 56.27 1wbi n LYS 55 Cb 0.51 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.57 -6.91 1.97 3.08 -2.00 -3.46 114.38 107.63 1wbi h ARG 56 Ca -0.31 -0.60 -0.55 0.00 0.07 0.00 0.00 59.98 58.59 1wbi h ARG 56 Cb 1.55 0.16 0.12 0.00 0.08 0.00 0.00 29.97 31.89 1wbi h ARG 56 CO -0.03 1.21 0.61 0.00 -1.07 0.00 0.00 179.97 180.69 1wbi n ALA 57 N -2.61 1.73 0.19 0.04 0.00 -1.26 -4.90 120.51 113.69 1wbi n ALA 57 Ca -0.10 0.26 0.03 0.00 0.00 0.00 0.00 53.44 53.63 1wbi n ALA 57 Cb 0.77 -2.34 0.36 0.00 0.00 0.00 0.00 19.45 18.24 1wbi n ALA 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wbi h SER 58 N 2.23 0.00 -2.28 0.00 4.64 -1.95 -3.32 113.55 112.86 1wbi h SER 58 Ca -0.49 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.24 1wbi h SER 58 Cb 1.28 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.96 1wbi h SER 58 CO 0.61 0.38 -0.81 0.00 -0.87 0.00 0.00 176.83 176.13 1wbi n GLN 59 N -3.95 1.51 -2.24 4.77 6.02 -1.26 -4.74 117.38 117.49 1wbi n GLN 59 Ca -0.02 -3.96 -0.33 0.00 -0.01 0.00 0.00 57.00 52.68 1wbi n GLN 59 Cb 0.43 -1.83 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.56 3.56 0.50 -1.09 0.04 -1.23 -4.60 135.00 130.62 1wbi s PRO 60 Ca 0.35 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1wbi s PRO 60 Cb 0.11 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1wbi s PRO 60 CO -0.09 -0.61 0.81 0.95 0.04 0.00 0.00 177.00 178.10 1wbi s THR 61 N -2.36 4.74 0.20 1.26 -4.23 -1.26 -1.08 115.64 112.90 1wbi s THR 61 Ca 0.64 0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 61.12 1wbi s THR 61 Cb -0.15 -3.81 0.05 0.00 1.34 0.00 0.00 72.50 69.93 1wbi s THR 61 CO 0.31 -0.82 0.76 0.72 -0.54 0.00 0.00 174.62 175.06 1wbi s PHE 62 N -2.80 -0.27 0.08 3.99 -0.12 -0.37 -1.49 117.98 117.00 1wbi s PHE 62 Ca 0.49 -0.07 -0.12 0.00 -0.05 0.00 0.00 56.93 57.18 1wbi s PHE 62 Cb -0.10 0.64 0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1wbi s PHE 62 CO 0.45 -0.99 0.27 0.20 -0.05 0.00 0.00 175.22 175.10 1wbi s GLY 63 N -2.84 -0.05 0.12 1.99 0.00 -0.70 -1.22 107.32 104.61 1wbi s GLY 63 Ca 0.08 -0.31 -0.15 0.00 0.00 0.00 0.00 44.72 44.34 1wbi s GLY 63 CO -0.00 -0.52 0.38 -0.11 0.00 0.00 0.00 173.10 172.85 1wbi s PHE 64 N -3.43 -0.17 -0.07 1.90 -0.12 -0.01 -1.31 117.98 114.78 1wbi s PHE 64 Ca 0.01 -0.15 0.02 0.00 -0.05 0.00 0.00 56.93 56.76 1wbi s PHE 64 Cb 0.02 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1wbi s PHE 64 CO -0.09 -0.68 -0.09 0.99 -0.05 0.00 0.00 175.22 175.30 1wbi s THR 65 N -3.74 3.49 -0.20 -4.49 2.01 -0.25 -0.51 115.64 111.96 1wbi s THR 65 Ca 0.03 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1wbi s THR 65 Cb 0.02 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 70.12 1wbi s THR 65 CO -0.11 0.59 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.59 1wbi s VAL 66 N -0.71 2.70 -0.51 3.82 1.01 0.71 -1.35 120.40 126.07 1wbi s VAL 66 Ca 0.11 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 1wbi s VAL 66 Cb -0.11 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.13 1wbi s VAL 66 CO 0.01 0.48 0.75 -2.28 0.00 0.00 0.00 175.10 174.06 1wbi s HIS 67 N 1.38 2.96 0.12 5.22 5.65 -0.78 -1.84 115.29 127.99 1wbi s HIS 67 Ca 0.05 -0.25 -0.31 0.00 0.25 0.00 0.00 55.06 54.81 1wbi s HIS 67 Cb -0.14 -3.71 -0.08 0.00 -1.18 0.00 0.00 32.58 27.48 1wbi s HIS 67 CO -0.08 -1.12 1.34 -1.58 -0.65 0.00 0.00 174.74 172.64 1wbi s TRP 68 N 3.16 3.29 -2.51 3.88 0.52 -1.20 -3.84 118.94 122.24 1wbi s TRP 68 Ca 0.22 1.07 0.25 0.00 0.02 0.00 0.00 56.10 57.67 1wbi s TRP 68 Cb -0.16 -3.61 0.83 0.00 -1.15 0.00 0.00 33.47 29.38 1wbi s TRP 68 CO 0.16 -2.07 1.62 0.09 0.02 0.00 0.00 176.95 176.77 1wbi n ASN 69 N 3.72 1.84 0.00 2.95 3.02 -1.26 -3.95 115.26 121.58 1wbi n ASN 69 Ca 0.10 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 1wbi n ASN 69 Cb 0.43 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.43 0.00 -3.91 3.10 1.16 -1.26 -5.00 117.46 111.98 1wbi n PHE 70 Ca 0.18 -0.33 -0.09 0.00 -1.87 0.00 0.00 57.45 55.33 1wbi n PHE 70 Cb 0.39 -0.03 -0.02 0.00 -1.61 0.00 0.00 39.48 38.21 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 -0.66 0.06 0.00 5.98 1.04 -1.25 -4.99 113.70 113.88 1wbi s SER 71 Ca 0.00 -1.00 0.11 0.00 0.48 0.00 0.00 55.95 55.53 1wbi s SER 71 Cb 0.00 0.73 0.39 0.00 0.10 0.00 0.00 66.02 67.24 1wbi s SER 71 CO 0.00 -1.41 1.29 -0.62 0.98 0.00 0.00 173.24 173.48 1wbi n GLU 72 N -0.48 1.51 -2.30 4.02 -0.58 -1.26 -4.69 120.64 116.85 1wbi n GLU 72 Ca -0.04 -0.78 -0.29 0.00 -0.42 0.00 0.00 57.16 55.62 1wbi n GLU 72 Cb 0.60 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 1wbi n GLU 72 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wbi s SER 73 N -1.16 6.28 0.02 1.62 0.15 -1.26 -4.49 113.70 114.87 1wbi s SER 73 Ca 0.19 1.19 0.02 0.00 0.70 0.00 0.00 55.95 58.05 1wbi s SER 73 Cb 0.10 -2.36 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1wbi s SER 73 CO 0.14 -0.69 -0.07 -0.89 1.20 0.00 0.00 173.24 172.93 1wbi s THR 74 N -2.90 0.53 0.12 6.45 2.01 -0.86 -3.25 115.64 117.73 1wbi s THR 74 Ca 0.52 -0.65 0.10 0.00 0.31 0.00 0.00 61.69 61.97 1wbi s THR 74 Cb -0.11 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1wbi s THR 74 CO 0.47 -0.10 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.61 1wbi s SER 75 N -0.82 3.08 0.05 3.53 0.01 -0.77 -0.45 113.70 118.33 1wbi s SER 75 Ca -0.03 -0.72 0.06 0.00 1.31 0.00 0.00 55.95 56.57 1wbi s SER 75 Cb -0.06 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 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 -1.08 1.47 -0.01 3.43 -7.23 -0.25 -0.21 120.40 116.53 1wbi s VAL 76 Ca 0.12 -1.16 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1wbi s VAL 76 Cb -0.10 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.53 1wbi s VAL 76 CO 0.05 0.11 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.42 1wbi s PHE 77 N -0.85 1.53 0.01 2.82 0.08 0.34 -1.40 117.98 120.50 1wbi s PHE 77 Ca 0.05 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.81 1wbi s PHE 77 Cb -0.09 -0.98 -0.01 0.00 -0.57 0.00 0.00 43.02 41.38 1wbi s PHE 77 CO 0.02 -0.02 -0.01 0.54 -0.10 0.00 0.00 175.22 175.65 1wbi s VAL 78 N -0.44 0.07 0.00 -0.44 0.11 -0.25 -0.83 120.40 118.61 1wbi s VAL 78 Ca 0.06 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1wbi s VAL 78 Cb -0.07 -0.12 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 1wbi s VAL 78 CO -0.00 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.21 1wbi n GLY 79 N 2.55 0.89 3.03 6.54 0.00 -0.36 -1.20 105.19 116.64 1wbi n GLY 79 Ca -0.16 -0.81 -0.18 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 -1.37 0.70 -0.24 1.61 0.74 -0.68 -1.24 119.66 119.19 1wbi s GLN 80 Ca 0.00 -0.39 -0.15 0.00 0.05 0.00 0.00 55.36 54.87 1wbi s GLN 80 Cb 0.00 -0.67 -0.04 0.00 1.10 0.00 0.00 33.01 33.41 1wbi s GLN 80 CO 0.00 0.18 0.39 0.00 -0.55 0.00 0.00 175.29 175.31 1wbi s PHE 82 N 1.70 2.81 -0.10 0.00 0.08 -0.25 -3.50 117.98 118.71 1wbi s PHE 82 Ca 0.17 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.13 1wbi s PHE 82 Cb -0.15 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 1wbi s PHE 82 CO 0.09 0.40 -0.16 0.08 -0.10 0.00 0.00 175.22 175.53 1wbi s VAL 83 N -1.13 1.51 0.86 -0.44 1.01 -1.26 -0.86 120.40 120.09 1wbi s VAL 83 Ca 0.20 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1wbi s VAL 83 Cb -0.11 -1.37 0.18 0.00 0.00 0.00 0.00 36.38 35.08 1wbi s VAL 83 CO 0.12 0.44 1.17 1.51 0.00 0.00 0.00 175.10 178.34 1wbi s ASP 84 N 0.89 3.58 0.47 3.32 1.47 -0.59 -4.91 116.67 120.90 1wbi s ASP 84 Ca -0.08 -0.19 0.13 0.00 1.18 0.00 0.00 52.55 53.58 1wbi s ASP 84 Cb -0.15 0.05 1.10 0.00 -0.34 0.00 0.00 42.92 43.58 1wbi s ASP 84 CO -0.00 -2.40 2.10 0.03 0.68 0.00 0.00 175.17 175.58 1wbi h ARG 85 N -1.13 0.24 -0.01 2.11 3.08 -2.01 -1.23 114.38 115.43 1wbi h ARG 85 Ca -0.39 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1wbi h ARG 85 Cb 1.24 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1wbi h ARG 85 CO 0.35 0.16 0.00 -1.13 -1.07 0.00 0.00 179.97 178.28 1wbi n SER 86 N -4.50 0.45 0.00 7.04 3.41 -1.26 -4.90 113.62 113.85 1wbi n SER 86 Ca 0.01 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1wbi n SER 86 Cb 0.11 -0.01 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 1.02 0.74 3.70 5.00 0.00 -0.46 -5.05 105.19 110.14 1wbi n GLY 87 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.55 4.47 -0.07 1.61 2.20 -1.26 -4.76 119.74 121.37 1wbi s LYS 88 Ca 0.00 1.42 -0.13 0.00 -0.36 0.00 0.00 55.97 56.91 1wbi s LYS 88 Cb 0.00 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1wbi s LYS 88 CO 0.00 -0.22 0.31 -1.21 -0.36 0.00 0.00 175.35 173.87 1wbi s GLU 89 N 1.63 3.89 -0.04 4.03 2.02 -1.26 -1.55 118.70 127.42 1wbi s GLU 89 Ca 0.50 0.19 0.02 0.00 0.02 0.00 0.00 54.97 55.71 1wbi s GLU 89 Cb -0.20 -3.27 0.01 0.00 0.10 0.00 0.00 34.13 30.77 1wbi s GLU 89 CO 0.22 0.58 -0.08 0.08 0.02 0.00 0.00 175.26 176.08 1wbi s VAL 90 N -0.62 0.77 -0.35 2.63 1.01 -0.04 -4.44 120.40 119.37 1wbi s VAL 90 Ca 0.20 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 1wbi s VAL 90 Cb -0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1wbi s VAL 90 CO 0.08 0.27 0.40 -0.76 0.00 0.00 0.00 175.10 175.09 1wbi s LEU 91 N 0.61 4.43 -0.34 3.92 1.43 -0.08 -1.09 118.68 127.56 1wbi s LEU 91 Ca -0.10 -0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 1wbi s LEU 91 Cb -0.13 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1wbi s LEU 91 CO 0.01 -0.38 0.39 -0.54 0.23 0.00 0.00 176.35 176.07 1wbi s LYS 92 N 2.10 3.61 0.12 1.70 -0.14 -0.47 -1.23 119.74 125.43 1wbi s LYS 92 Ca 0.13 -0.33 0.07 0.00 -1.36 0.00 0.00 55.97 54.48 1wbi s LYS 92 Cb -0.16 -3.79 -0.04 0.00 -1.68 0.00 0.00 37.83 32.16 1wbi s LYS 92 CO 0.12 -0.53 -0.16 0.95 -0.76 0.00 0.00 175.35 174.97 1wbi s THR 93 N 2.10 1.48 0.18 2.17 -4.23 -0.49 -1.68 115.64 115.16 1wbi s THR 93 Ca 0.13 -1.70 0.09 0.00 -1.18 0.00 0.00 61.69 59.04 1wbi s THR 93 Cb -0.16 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 1wbi s THR 93 CO 0.12 -0.32 -0.20 -0.54 -0.54 0.00 0.00 174.62 173.14 1wbi s LYS 94 N -2.50 1.36 0.06 3.99 1.02 -0.34 -1.58 119.74 121.74 1wbi s LYS 94 Ca 0.09 -1.45 -0.01 0.00 0.02 0.00 0.00 55.97 54.62 1wbi s LYS 94 Cb -0.06 -1.50 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 1wbi s LYS 94 CO 0.04 0.31 -0.02 1.67 -0.92 0.00 0.00 175.35 176.43 1wbi s TRP 95 N -1.94 0.56 -0.04 3.18 1.48 -0.21 -1.09 118.94 120.88 1wbi s TRP 95 Ca 0.18 -1.08 0.04 0.00 -1.06 0.00 0.00 56.10 54.18 1wbi s TRP 95 Cb -0.06 -0.40 -0.00 0.00 -1.16 0.00 0.00 33.47 31.84 1wbi s TRP 95 CO 0.08 -0.39 -0.17 -0.51 -4.06 0.00 0.00 176.95 171.91 1wbi s LEU 96 N -2.94 1.90 -0.20 -4.66 1.43 -0.49 -1.56 118.68 112.17 1wbi s LEU 96 Ca 0.09 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1wbi s LEU 96 Cb 0.08 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 1wbi s LEU 96 CO -0.09 0.15 -0.07 -1.58 0.23 0.00 0.00 176.35 174.98 1wbi s GLN 97 N 0.06 3.35 -0.20 1.70 0.74 0.10 -1.09 119.66 124.32 1wbi s GLN 97 Ca -0.04 -0.65 -0.15 0.00 0.05 0.00 0.00 55.36 54.57 1wbi s GLN 97 Cb -0.11 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.06 1wbi s GLN 97 CO 0.02 -0.11 0.36 0.50 -0.55 0.00 0.00 175.29 175.51 1wbi s ARG 98 N 1.22 4.17 0.13 1.67 6.06 0.41 -1.07 118.95 131.53 1wbi s ARG 98 Ca 0.02 0.12 -0.05 0.00 -2.50 0.00 0.00 55.73 53.33 1wbi s ARG 98 Cb -0.14 -3.53 -0.05 0.00 0.06 0.00 0.00 34.95 31.28 1wbi s ARG 98 CO -0.03 -0.00 0.36 -0.51 -2.50 0.00 0.00 175.30 172.62 1wbi s LEU 99 N 1.21 4.28 -0.03 -0.88 2.01 0.29 -2.04 118.68 123.51 1wbi s LEU 99 Ca 0.17 0.57 -0.30 0.00 0.01 0.00 0.00 54.13 54.59 1wbi s LEU 99 Cb -0.14 -3.26 -0.02 0.00 0.01 0.00 0.00 46.19 42.77 1wbi s LEU 99 CO 0.07 0.07 0.97 0.00 1.01 0.00 0.00 176.35 178.47 1wbi s ALA 100 N -1.63 3.24 0.37 4.21 0.00 -1.26 -4.84 121.76 121.85 1wbi s ALA 100 Ca 0.40 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.91 1wbi s ALA 100 Cb -0.12 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 1wbi s ALA 100 CO 0.24 -0.33 0.05 0.14 0.00 0.00 0.00 175.76 175.86 1wbi s VAL 101 N 1.30 2.43 0.14 0.00 -7.23 -1.26 -5.06 120.40 110.72 1wbi s VAL 101 Ca 0.50 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1wbi s VAL 101 Cb -0.20 -2.87 -0.18 0.00 0.56 0.00 0.00 36.38 33.69 1wbi s VAL 101 CO 0.25 -0.12 1.32 0.44 -0.31 0.00 0.00 175.10 176.68 1wbi h ASP 102 N 1.72 0.23 -5.04 4.85 3.32 -1.97 -3.46 116.42 116.07 1wbi h ASP 102 Ca -0.43 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 56.29 1wbi h ASP 102 Cb 1.25 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.54 1wbi h ASP 102 CO 0.70 1.06 -0.46 -0.62 -1.72 0.00 0.00 179.24 178.20 1wbi s ASP 103 N -6.92 0.06 0.49 6.45 2.15 -1.26 -5.03 116.67 112.61 1wbi s ASP 103 Ca -0.02 -0.34 0.27 0.00 0.43 0.00 0.00 52.55 52.89 1wbi s ASP 103 Cb 0.10 0.24 1.34 0.00 -0.30 0.00 0.00 42.92 44.30 1wbi s ASP 103 CO 0.83 -0.48 1.85 -0.29 -0.17 0.00 0.00 175.17 176.91 1wbi h ILE 104 N 3.80 0.55 0.00 4.11 2.10 -2.02 -0.33 117.51 125.72 1wbi h ILE 104 Ca -0.32 -0.05 -0.01 0.00 1.08 0.00 0.00 64.86 65.56 1wbi h ILE 104 Cb 1.19 0.38 -0.00 0.00 -1.09 0.00 0.00 36.82 37.29 1wbi h ILE 104 CO 0.46 0.03 -0.03 0.77 -1.08 0.00 0.00 178.15 178.30 1wbi h SER 105 N 0.16 0.00 -0.24 2.19 4.64 -2.00 -2.09 113.55 116.21 1wbi h SER 105 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1wbi h SER 105 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1wbi h SER 105 CO -0.10 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.36 1wbi n ASP 106 N -3.28 1.93 -0.03 4.97 8.00 -0.13 -4.58 116.55 123.44 1wbi n ASP 106 Ca -0.02 -1.81 0.05 0.00 0.71 0.00 0.00 54.79 53.73 1wbi n ASP 106 Cb 0.17 -0.16 0.43 0.00 -0.02 0.00 0.00 41.12 41.54 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 2.44 0.48 -0.51 -2.24 3.58 -1.47 -2.57 116.42 116.11 1wbi h ASP 107 Ca 0.00 -0.01 0.15 0.00 0.42 0.00 0.00 57.03 57.59 1wbi h ASP 107 Cb 0.54 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1wbi h ASP 107 CO 0.00 0.34 0.41 4.11 -2.88 0.00 0.00 179.24 181.21 1wbi h TRP 108 N 0.56 0.00 -0.00 0.28 5.08 -1.84 -2.08 115.95 117.94 1wbi h TRP 108 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.15 1wbi h TRP 108 Cb 0.04 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.20 1wbi h TRP 108 CO -0.00 0.00 -0.27 1.51 -1.28 0.00 0.00 178.44 178.40 1wbi n ILE 109 N -4.19 0.00 1.32 0.12 3.06 -0.97 -4.57 119.36 114.14 1wbi n ILE 109 Ca 0.09 -0.01 0.13 0.00 -2.50 0.00 0.00 62.75 60.47 1wbi n ILE 109 Cb 0.62 -0.06 0.42 0.00 0.54 0.00 0.00 39.64 41.16 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 -1.44 2.54 -3.91 1.51 0.00 -0.78 -4.82 120.51 113.61 1wbi n ALA 110 Ca 0.07 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 1wbi n ALA 110 Cb 0.33 -1.08 -0.16 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.94 1.30 0.33 0.00 2.01 -1.26 -0.55 115.64 115.52 1wbi s THR 111 Ca 0.35 -0.90 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 1wbi s THR 111 Cb 0.20 -1.52 -0.07 0.00 0.01 0.00 0.00 72.50 71.12 1wbi s THR 111 CO 0.32 0.02 0.68 -0.13 -0.69 0.00 0.00 174.62 174.82 1wbi s ARG 112 N 1.53 3.82 0.06 4.92 0.52 -0.24 -4.93 118.95 124.63 1wbi s ARG 112 Ca -0.02 0.41 0.06 0.00 -0.52 0.00 0.00 55.73 55.66 1wbi s ARG 112 Cb -0.17 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 1wbi s ARG 112 CO -0.07 0.13 -0.17 0.54 0.02 0.00 0.00 175.30 175.74 1wbi s VAL 113 N -2.10 1.39 0.00 3.52 0.11 -1.26 -0.72 120.40 121.34 1wbi s VAL 113 Ca 0.50 -1.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1wbi s VAL 113 Cb -0.11 -1.25 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 1wbi s VAL 113 CO 0.25 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 1wbi n GLY 114 N 1.65 1.97 3.07 6.54 0.00 -0.60 -5.00 105.19 112.82 1wbi n GLY 114 Ca -0.18 -0.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 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 0.51 0.44 -0.12 1.61 4.22 -1.26 -1.04 114.94 119.29 1wbi s ASN 115 Ca 0.00 -0.90 -0.19 0.00 -2.14 0.00 0.00 52.86 49.63 1wbi s ASN 115 Cb 0.00 0.18 0.05 0.00 1.28 0.00 0.00 41.25 42.76 1wbi s ASN 115 CO 0.00 -0.54 0.48 0.20 -2.04 0.00 0.00 177.10 175.20 1wbi s ASN 116 N -2.63 -0.47 -0.13 3.54 0.02 -0.62 -4.95 114.94 109.71 1wbi s ASN 116 Ca 0.02 0.74 -0.02 0.00 -1.02 0.00 0.00 52.86 52.58 1wbi s ASN 116 Cb 0.04 0.77 -0.03 0.00 0.02 0.00 0.00 41.25 42.06 1wbi s ASN 116 CO -0.08 -0.31 -0.04 -1.81 0.02 0.00 0.00 177.10 174.88 1wbi s ASP 117 N -0.36 4.82 0.03 -1.22 1.01 -1.26 -1.39 116.67 118.29 1wbi s ASP 117 Ca -0.05 -0.07 0.05 0.00 0.71 0.00 0.00 52.55 53.20 1wbi s ASP 117 Cb -0.03 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.26 1wbi s ASP 117 CO 0.03 0.24 -0.13 -0.36 0.21 0.00 0.00 175.17 175.16 1wbi s PHE 118 N -0.08 2.71 0.19 4.23 0.08 -0.37 -2.63 117.98 122.11 1wbi s PHE 118 Ca 0.02 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 56.94 1wbi s PHE 118 Cb -0.13 -1.53 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1wbi s PHE 118 CO 0.03 0.31 -0.03 0.95 -0.10 0.00 0.00 175.22 176.38 1wbi s THR 119 N -0.96 0.96 0.31 0.64 -4.23 -0.41 -0.91 115.64 111.05 1wbi s THR 119 Ca 0.16 -2.02 -0.29 0.00 -1.18 0.00 0.00 61.69 58.35 1wbi s THR 119 Cb -0.11 -2.16 -0.10 0.00 1.34 0.00 0.00 72.50 71.47 1wbi s THR 119 CO 0.06 -0.47 1.26 -0.13 -0.54 0.00 0.00 174.62 174.80 1wbi s ARG 120 N -3.85 4.43 0.00 3.99 0.52 -1.26 -1.22 118.95 121.55 1wbi s ARG 120 Ca 0.24 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 57.57 1wbi s ARG 120 Cb 0.05 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.44 1wbi s ARG 120 CO 0.05 -0.09 0.52 1.04 0.02 0.00 0.00 175.30 176.84