#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibz s THR 14 N 0.00 3.97 0.51 -5.08 2.01 -1.26 -5.12 115.64 110.68 3ibz s THR 14 Ca 0.00 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.70 3ibz s THR 14 Cb 0.00 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.86 3ibz s THR 14 CO 0.00 0.56 0.41 -1.59 -0.69 0.00 0.00 174.62 173.31 3ibz s LYS 15 N -0.42 2.31 0.00 4.92 -2.85 -1.26 -5.30 119.74 117.14 3ibz s LYS 15 Ca 0.07 -1.89 0.00 0.00 -1.00 0.00 0.00 55.97 53.15 3ibz s LYS 15 Cb -0.12 -2.18 0.00 0.00 -2.06 0.00 0.00 37.83 33.47 3ibz s LYS 15 CO 0.02 -0.52 0.00 -1.91 0.10 0.00 0.00 175.35 173.04 3ibz n GLU 16 N -1.72 0.00 -1.43 1.78 0.00 -1.26 -5.25 120.64 112.76 3ibz n GLU 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 3ibz n GLU 16 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.08 3ibz n GLU 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ibz n GLY 19 N 0.00 -4.64 3.63 8.31 0.00 -1.26 -5.25 105.19 105.97 3ibz n GLY 19 Ca 0.00 -0.57 -0.46 0.00 0.00 0.00 0.00 46.02 44.98 3ibz n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ibz n LEU 20 N 0.19 2.35 0.00 0.99 4.32 -1.25 -4.91 117.00 118.69 3ibz n LEU 20 Ca 0.00 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.14 3ibz n LEU 20 Cb 0.00 -1.33 0.00 0.00 -1.62 0.00 0.00 43.42 40.47 3ibz n LEU 20 CO 0.00 -0.92 -0.29 0.35 -1.22 0.00 0.00 177.39 175.31 3ibz n THR 21 N 1.45 0.00 -3.76 -5.08 -2.24 -1.26 -4.52 114.28 98.87 3ibz n THR 21 Ca 0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 3ibz n THR 21 Cb 0.29 -0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 67.87 3ibz n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ibz s ALA 22 N -1.58 -0.41 0.04 6.98 0.00 -1.26 -0.63 121.76 124.90 3ibz s ALA 22 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.71 3ibz s ALA 22 Cb 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 3ibz s ALA 22 CO 0.00 -0.15 -0.05 0.08 0.00 0.00 0.00 175.76 175.64 3ibz s VAL 23 N 0.93 0.30 -0.06 0.00 1.01 -0.63 -1.48 120.40 120.47 3ibz s VAL 23 Ca -0.07 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.80 3ibz s VAL 23 Cb -0.09 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.70 3ibz s VAL 23 CO -0.05 -0.54 -0.11 -0.63 0.00 0.00 0.00 175.10 173.77 3ibz s ILE 24 N -1.85 1.02 -0.19 2.22 1.01 -0.45 -1.31 121.20 121.65 3ibz s ILE 24 Ca -0.10 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 3ibz s ILE 24 Cb -0.07 -0.95 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 3ibz s ILE 24 CO -0.02 0.33 0.14 -0.69 0.00 0.00 0.00 174.94 174.71 3ibz s VAL 25 N 0.74 5.41 -0.06 2.92 1.01 -0.34 -0.77 120.40 129.32 3ibz s VAL 25 Ca -0.13 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3ibz s VAL 25 Cb -0.15 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3ibz s VAL 25 CO 0.03 0.46 -0.13 -0.83 0.00 0.00 0.00 175.10 174.63 3ibz s GLY 26 N 0.20 0.79 -0.08 4.51 0.00 0.08 -0.87 107.32 111.96 3ibz s GLY 26 Ca 0.09 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.39 3ibz s GLY 26 CO -0.01 -0.01 -0.19 -2.27 0.00 0.00 0.00 173.10 170.62 3ibz s LEU 27 N 0.47 1.92 0.03 0.66 2.96 -0.27 -0.56 118.68 123.89 3ibz s LEU 27 Ca -0.11 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 3ibz s LEU 27 Cb -0.14 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 3ibz s LEU 27 CO 0.03 0.13 0.05 -0.83 -1.32 0.00 0.00 176.35 174.41 3ibz s GLY 28 N 0.36 0.23 0.30 7.98 0.00 -0.73 0.08 107.32 115.53 3ibz s GLY 28 Ca -0.14 -0.65 -0.20 0.00 0.00 0.00 0.00 44.72 43.73 3ibz s GLY 28 CO 0.06 -0.76 0.74 0.66 0.00 0.00 0.00 173.10 173.79 3ibz s TRP 29 N -2.52 -0.12 -0.03 1.90 -2.14 -1.26 -1.09 118.94 113.68 3ibz s TRP 29 Ca -0.06 -0.39 -0.03 0.00 2.66 0.00 0.00 56.10 58.29 3ibz s TRP 29 Cb -0.02 0.74 -0.04 0.00 -3.10 0.00 0.00 33.47 31.05 3ibz s TRP 29 CO -0.04 -1.31 0.13 -0.51 -2.66 0.00 0.00 176.95 172.56 3ibz s ASP 30 N -2.96 6.10 0.48 -2.66 1.01 -0.67 -4.65 116.67 113.33 3ibz s ASP 30 Ca 0.12 0.30 -0.24 0.00 0.71 0.00 0.00 52.55 53.44 3ibz s ASP 30 Cb -0.06 -1.87 -0.07 0.00 1.01 0.00 0.00 42.92 41.93 3ibz s ASP 30 CO 0.08 0.30 1.31 -0.38 0.21 0.00 0.00 175.17 176.69 3ibz n ILE 31 N 1.26 3.11 -1.80 0.77 5.41 -1.25 -4.57 119.36 122.29 3ibz n ILE 31 Ca -0.14 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.70 3ibz n ILE 31 Cb 0.53 -1.63 -0.02 0.00 -0.71 0.00 0.00 39.64 37.80 3ibz n ILE 31 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3ibz s ARG 32 N -2.52 4.15 -0.06 0.38 3.52 -1.26 -4.92 118.95 118.24 3ibz s ARG 32 Ca 0.65 2.53 0.19 0.00 -0.13 0.00 0.00 55.73 58.97 3ibz s ARG 32 Cb -0.46 -3.07 -0.23 0.00 -1.56 0.00 0.00 34.95 29.63 3ibz s ARG 32 CO 0.54 -0.66 0.45 0.25 -0.81 0.00 0.00 175.30 175.07 3ibz n THR 33 N 3.22 0.94 -2.02 4.11 -2.24 -1.26 -4.94 114.28 112.09 3ibz n THR 33 Ca 0.12 -0.70 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 3ibz n THR 33 Cb 0.37 -0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.19 3ibz n THR 33 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ibz s THR 34 N -2.92 4.17 0.60 4.28 -4.23 -1.26 -5.04 115.64 111.24 3ibz s THR 34 Ca -0.07 0.56 -0.15 0.00 -1.18 0.00 0.00 61.69 60.85 3ibz s THR 34 Cb 0.09 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 3ibz s THR 34 CO 0.84 -0.85 1.05 0.42 -0.54 0.00 0.00 174.62 175.55 3ibz s THR 35 N -3.18 3.87 0.00 3.99 -4.23 -1.26 -4.91 115.64 109.93 3ibz s THR 35 Ca 0.55 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 3ibz s THR 35 Cb -0.11 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.33 3ibz s THR 35 CO 0.51 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3ibz n GLY 36 N -1.15 2.86 3.69 3.99 0.00 -1.26 -5.08 105.19 108.24 3ibz n GLY 36 Ca 0.08 -1.96 -0.44 0.00 0.00 0.00 0.00 46.02 43.71 3ibz n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ibz n THR 37 N -1.46 1.24 -0.96 2.61 -1.04 -1.26 -4.95 114.28 108.46 3ibz n THR 37 Ca 0.00 -0.31 -0.33 0.00 -2.04 0.00 0.00 64.05 61.37 3ibz n THR 37 Cb 0.00 -1.58 0.12 0.00 -1.82 0.00 0.00 70.33 67.05 3ibz n THR 37 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3ibz n ASP 38 N 1.79 -0.74 -4.57 8.00 8.00 -1.26 -4.97 116.55 122.80 3ibz n ASP 38 Ca 0.09 0.47 -0.43 0.00 0.71 0.00 0.00 54.79 55.63 3ibz n ASP 38 Cb 0.34 -1.33 -0.05 0.00 -0.02 0.00 0.00 41.12 40.06 3ibz n ASP 38 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ibz s PHE 39 N -2.25 3.03 -0.50 1.24 0.08 -1.26 -5.00 117.98 113.31 3ibz s PHE 39 Ca 0.64 0.39 -0.03 0.00 0.12 0.00 0.00 56.93 58.06 3ibz s PHE 39 Cb -0.26 -3.61 0.13 0.00 -0.57 0.00 0.00 43.02 38.71 3ibz s PHE 39 CO 0.60 -0.89 0.30 0.34 -0.10 0.00 0.00 175.22 175.47 3ibz s ASP 40 N 2.02 5.21 0.26 1.36 2.15 -1.25 -3.63 116.67 122.80 3ibz s ASP 40 Ca 0.32 -2.41 -0.06 0.00 0.43 0.00 0.00 52.55 50.83 3ibz s ASP 40 Cb -0.12 -1.83 -0.06 0.00 -0.30 0.00 0.00 42.92 40.61 3ibz s ASP 40 CO 0.21 -0.46 0.54 -0.76 -0.17 0.00 0.00 175.17 174.53 3ibz s LEU 41 N 0.58 4.10 -0.02 -1.34 1.02 -1.26 -0.52 118.68 121.23 3ibz s LEU 41 Ca 0.12 0.75 0.02 0.00 0.02 0.00 0.00 54.13 55.04 3ibz s LEU 41 Cb -0.22 -3.55 0.01 0.00 0.02 0.00 0.00 46.19 42.45 3ibz s LEU 41 CO -0.04 -0.15 -0.06 -1.81 0.02 0.00 0.00 176.35 174.32 3ibz s ASP 42 N -2.93 0.84 -0.13 2.29 1.01 0.92 -4.75 116.67 113.92 3ibz s ASP 42 Ca 0.44 -0.12 -0.06 0.00 0.71 0.00 0.00 52.55 53.52 3ibz s ASP 42 Cb -0.11 -0.25 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 3ibz s ASP 42 CO 0.28 0.02 0.10 0.00 0.21 0.00 0.00 175.17 175.78 3ibz s ALA 43 N 0.34 3.68 0.33 5.23 0.00 -1.26 -1.50 121.76 128.58 3ibz s ALA 43 Ca -0.04 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.29 3ibz s ALA 43 Cb -0.08 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 3ibz s ALA 43 CO -0.00 0.50 0.29 -1.54 0.00 0.00 0.00 175.76 175.02 3ibz s SER 44 N -0.66 1.59 -0.06 0.00 1.04 -0.66 -4.73 113.70 110.21 3ibz s SER 44 Ca 0.12 -1.73 -0.10 0.00 0.48 0.00 0.00 55.95 54.73 3ibz s SER 44 Cb -0.12 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.59 3ibz s SER 44 CO 0.02 -1.08 0.24 0.00 0.98 0.00 0.00 173.24 173.41 3ibz s ALA 45 N -3.42 -0.60 -0.14 5.32 0.00 -0.26 -3.23 121.76 119.43 3ibz s ALA 45 Ca 0.40 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3ibz s ALA 45 Cb 0.02 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3ibz s ALA 45 CO 0.27 -0.16 -0.16 -0.51 0.00 0.00 0.00 175.76 175.20 3ibz s LEU 46 N -0.38 1.83 -0.34 0.00 1.43 -0.10 -0.27 118.68 120.85 3ibz s LEU 46 Ca -0.05 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 3ibz s LEU 46 Cb -0.03 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 3ibz s LEU 46 CO 0.01 -0.01 0.47 -0.76 0.23 0.00 0.00 176.35 176.29 3ibz s LEU 47 N 1.25 4.33 0.04 1.79 1.02 -0.34 -1.07 118.68 125.70 3ibz s LEU 47 Ca 0.01 -0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.15 3ibz s LEU 47 Cb -0.14 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.51 3ibz s LEU 47 CO -0.08 -0.41 0.09 -0.76 0.02 0.00 0.00 176.35 175.21 3ibz s LEU 48 N 2.28 3.90 0.00 1.79 1.43 0.23 -1.87 118.68 126.44 3ibz s LEU 48 Ca 0.17 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.30 3ibz s LEU 48 Cb -0.16 -2.44 0.10 0.00 0.03 0.00 0.00 46.19 43.72 3ibz s LEU 48 CO 0.12 0.22 0.60 -0.46 0.23 0.00 0.00 176.35 177.06 3ibz n ASN 49 N 0.76 0.18 0.15 2.29 0.23 0.15 -0.70 115.26 118.32 3ibz n ASN 49 Ca -0.10 -1.30 0.13 0.00 -0.53 0.00 0.00 54.58 52.77 3ibz n ASN 49 Cb 0.52 -0.45 0.53 0.00 -2.08 0.00 0.00 39.78 38.30 3ibz n ASN 49 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3ibz h SER 50 N -0.72 0.00 -0.22 0.53 4.64 -1.89 -1.24 113.55 114.65 3ibz h SER 50 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3ibz h SER 50 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3ibz h SER 50 CO 0.15 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 3ibz n GLY 51 N -0.09 0.24 2.23 -0.77 0.00 -1.26 -4.94 105.19 100.60 3ibz n GLY 51 Ca 0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 3ibz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibz n GLY 52 N 1.02 0.98 3.64 -0.02 0.00 -0.47 -5.02 105.19 105.32 3ibz n GLY 52 Ca 0.13 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 3ibz n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ibz s LYS 53 N -2.67 2.33 0.32 1.61 2.20 -1.26 -4.84 119.74 117.42 3ibz s LYS 53 Ca 0.00 -1.04 -0.29 0.00 -0.36 0.00 0.00 55.97 54.28 3ibz s LYS 53 Cb 0.00 -2.37 -0.10 0.00 -1.51 0.00 0.00 37.83 33.85 3ibz s LYS 53 CO 0.00 0.49 1.36 0.14 -0.36 0.00 0.00 175.35 176.97 3ibz s VAL 54 N -1.50 2.62 0.51 4.02 -7.23 -0.54 -0.68 120.40 117.61 3ibz s VAL 54 Ca 0.25 0.60 0.19 0.00 -1.81 0.00 0.00 61.98 61.21 3ibz s VAL 54 Cb -0.10 -3.38 0.27 0.00 0.56 0.00 0.00 36.38 33.72 3ibz s VAL 54 CO 0.17 0.13 2.13 0.00 -0.31 0.00 0.00 175.10 177.22 3ibz h ALA 55 N 3.70 1.81 -2.60 1.32 0.00 -1.70 -3.45 119.26 118.35 3ibz h ALA 55 Ca -0.49 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.52 3ibz h ALA 55 Cb 1.23 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 3ibz h ALA 55 CO 0.68 0.06 0.40 -1.54 0.00 0.00 0.00 179.25 178.85 3ibz s SER 56 N -6.84 -0.18 0.51 0.00 1.04 -1.26 -4.99 113.70 101.98 3ibz s SER 56 Ca -0.05 -0.53 0.22 0.00 0.48 0.00 0.00 55.95 56.07 3ibz s SER 56 Cb 0.16 0.59 1.36 0.00 0.10 0.00 0.00 66.02 68.23 3ibz s SER 56 CO 0.65 -1.10 2.10 0.44 0.98 0.00 0.00 173.24 176.31 3ibz h ASP 57 N 2.00 0.00 -0.02 7.02 3.32 -1.93 -0.54 116.42 126.27 3ibz h ASP 57 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3ibz h ASP 57 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3ibz h ASP 57 CO 0.26 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.88 3ibz n ALA 58 N -2.40 2.62 -0.05 3.45 0.00 -1.26 -2.82 120.51 120.05 3ibz n ALA 58 Ca -0.02 -0.25 0.07 0.00 0.00 0.00 0.00 53.44 53.23 3ibz n ALA 58 Cb 0.19 -1.33 0.27 0.00 0.00 0.00 0.00 19.45 18.57 3ibz n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ibz n HIS 59 N -0.58 1.13 -3.51 0.00 8.25 -0.21 -4.40 115.22 115.91 3ibz n HIS 59 Ca 0.19 -0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 56.78 3ibz n HIS 59 Cb 0.16 -0.21 -0.10 0.00 1.12 0.00 0.00 29.99 30.96 3ibz n HIS 59 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3ibz s PHE 60 N -1.80 3.26 -0.28 4.41 5.36 -1.13 -1.20 117.98 126.60 3ibz s PHE 60 Ca 0.38 -0.92 -0.11 0.00 -0.96 0.00 0.00 56.93 55.32 3ibz s PHE 60 Cb 0.25 -2.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.17 3ibz s PHE 60 CO 0.18 -0.69 0.17 0.42 -1.46 0.00 0.00 175.22 173.84 3ibz s ILE 61 N 1.59 5.12 0.02 3.12 -1.09 0.63 -4.75 121.20 125.84 3ibz s ILE 61 Ca 0.03 0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.50 3ibz s ILE 61 Cb -0.21 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 3ibz s ILE 61 CO 0.07 0.24 0.06 2.22 -1.23 0.00 0.00 174.94 176.30 3ibz n PHE 62 N 5.04 -0.91 0.19 3.97 1.16 -0.44 -1.10 117.46 125.37 3ibz n PHE 62 Ca -0.14 -0.11 0.14 0.00 -1.87 0.00 0.00 57.45 55.46 3ibz n PHE 62 Cb 0.52 0.06 0.73 0.00 -1.61 0.00 0.00 39.48 39.17 3ibz n PHE 62 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3ibz h PHE 63 N 1.07 0.00 -0.38 2.97 -5.15 -1.96 0.11 116.94 113.60 3ibz h PHE 63 Ca -0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.75 3ibz h PHE 63 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.26 3ibz h PHE 63 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 178.31 176.40 3ibz n ASN 64 N -4.25 2.99 -3.19 -0.68 3.02 -1.26 -4.71 115.26 107.19 3ibz n ASN 64 Ca 0.01 -1.93 -0.06 0.00 -0.03 0.00 0.00 54.58 52.57 3ibz n ASN 64 Cb 0.27 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 3ibz n ASN 64 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ibz s ASN 65 N -1.40 -0.61 0.21 6.41 2.47 0.39 -5.06 114.94 117.34 3ibz s ASN 65 Ca 0.37 -1.29 0.25 0.00 0.42 0.00 0.00 52.86 52.61 3ibz s ASN 65 Cb 0.21 1.44 0.61 0.00 -1.45 0.00 0.00 41.25 42.06 3ibz s ASN 65 CO 0.29 -0.17 1.62 -0.07 -3.72 0.00 0.00 177.10 175.05 3ibz h LEU 66 N 6.60 0.00 -7.82 3.21 3.38 -1.83 -1.18 115.31 117.67 3ibz h LEU 66 Ca 0.06 -0.05 -0.31 0.00 0.09 0.00 0.00 57.88 57.67 3ibz h LEU 66 Cb 1.12 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.57 3ibz h LEU 66 CO 0.13 0.03 -0.75 -0.75 0.09 0.00 0.00 178.44 177.19 3ibz s LYS 67 N -3.14 0.34 0.61 1.13 2.20 -1.26 0.28 119.74 119.90 3ibz s LYS 67 Ca 0.09 -0.10 -0.17 0.00 -0.36 0.00 0.00 55.97 55.42 3ibz s LYS 67 Cb 0.12 -0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.06 3ibz s LYS 67 CO 0.64 0.04 1.15 -1.54 -0.36 0.00 0.00 175.35 175.28 3ibz s SER 68 N 0.13 5.22 0.41 1.43 1.04 -0.46 -4.92 113.70 116.55 3ibz s SER 68 Ca -0.01 2.18 0.07 0.00 0.48 0.00 0.00 55.95 58.68 3ibz s SER 68 Cb -0.04 -2.58 0.85 0.00 0.10 0.00 0.00 66.02 64.36 3ibz s SER 68 CO -0.00 -1.56 2.05 -0.65 0.98 0.00 0.00 173.24 174.06 3ibz h PRO 69 N 0.56 0.55 0.00 4.02 0.11 -1.92 -0.74 132.00 134.58 3ibz h PRO 69 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ibz h PRO 69 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ibz h PRO 69 CO 0.55 0.37 0.00 0.38 -0.21 0.00 0.00 178.00 179.08 3ibz h ASP 70 N 0.57 0.00 0.00 -2.05 3.04 -1.96 -3.47 116.42 112.54 3ibz h ASP 70 Ca 0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 3ibz h ASP 70 Cb -0.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.26 3ibz h ASP 70 CO -0.04 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.77 3ibz n GLY 71 N 0.44 0.88 0.18 7.15 0.00 -0.28 -4.94 105.19 108.61 3ibz n GLY 71 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3ibz n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ibz h SER 72 N 0.00 0.00 -3.28 1.61 4.64 -1.84 -3.44 113.55 111.25 3ibz h SER 72 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3ibz h SER 72 Cb 0.00 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.74 3ibz h SER 72 CO 0.00 0.00 -0.81 -0.69 -0.87 0.00 0.00 176.83 174.46 3ibz s VAL 73 N -3.21 1.15 -0.04 0.95 1.01 -1.26 -0.91 120.40 118.09 3ibz s VAL 73 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3ibz s VAL 73 Cb 0.08 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.38 3ibz s VAL 73 CO 0.62 0.37 -0.04 -0.70 0.00 0.00 0.00 175.10 175.36 3ibz s GLU 74 N 1.21 0.72 -0.08 2.72 2.12 0.05 -1.35 118.70 124.09 3ibz s GLU 74 Ca -0.04 -0.08 -0.19 0.00 0.36 0.00 0.00 54.97 55.03 3ibz s GLU 74 Cb -0.14 -0.75 -0.05 0.00 0.26 0.00 0.00 34.13 33.45 3ibz s GLU 74 CO -0.03 -0.08 0.51 -1.58 -0.54 0.00 0.00 175.26 173.54 3ibz s HIS 75 N 0.87 3.57 -0.70 5.30 5.65 0.14 -0.58 115.29 129.54 3ibz s HIS 75 Ca -0.11 0.98 0.24 0.00 0.25 0.00 0.00 55.06 56.42 3ibz s HIS 75 Cb -0.14 -2.55 0.91 0.00 -1.18 0.00 0.00 32.58 29.62 3ibz s HIS 75 CO -0.00 0.25 1.73 0.25 -0.65 0.00 0.00 174.74 176.31 3ibz n THR 76 N 3.31 0.67 0.00 0.89 -2.24 -0.03 -4.84 114.28 112.04 3ibz n THR 76 Ca -0.07 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3ibz n THR 76 Cb 0.52 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 3ibz n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibz n GLY 77 N 0.63 4.38 3.67 3.38 0.00 -1.26 -4.98 105.19 111.01 3ibz n GLY 77 Ca 0.04 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 3ibz n GLY 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ibz s ASP 78 N 0.00 7.16 -0.21 1.61 -1.08 -1.26 -4.72 116.67 118.17 3ibz s ASP 78 Ca 0.00 1.45 -0.07 0.00 -0.52 0.00 0.00 52.55 53.41 3ibz s ASP 78 Cb 0.00 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 3ibz s ASP 78 CO 0.00 -0.58 0.06 0.21 0.52 0.00 0.00 175.17 175.38 3ibz s ASN 79 N 1.17 5.41 0.00 -0.34 3.84 -1.26 -5.00 114.94 118.75 3ibz s ASN 79 Ca 0.46 -0.04 0.16 0.00 0.21 0.00 0.00 52.86 53.65 3ibz s ASN 79 Cb -0.17 -1.94 0.34 0.00 -0.55 0.00 0.00 41.25 38.93 3ibz s ASN 79 CO 0.11 0.10 1.25 2.30 -2.79 0.00 0.00 177.10 178.07 3ibz n ILE 80 N 4.06 0.64 0.00 -5.21 -5.35 -1.26 -4.46 119.36 107.78 3ibz n ILE 80 Ca -0.16 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.50 3ibz n ILE 80 Cb 0.52 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 3ibz n ILE 80 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3ibz n THR 81 N 0.98 0.00 -0.30 7.28 -2.24 -1.24 -3.95 114.28 114.81 3ibz n THR 81 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3ibz n THR 81 Cb 0.48 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3ibz n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ibz n GLY 82 N 1.14 0.72 3.72 3.38 0.00 -1.25 -3.89 105.19 109.00 3ibz n GLY 82 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ibz n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ibz n GLU 83 N -2.00 2.69 0.00 1.61 2.13 -1.26 -4.14 120.64 119.66 3ibz n GLU 83 Ca 0.00 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.79 3ibz n GLU 83 Cb 0.00 -2.80 0.00 0.00 0.27 0.00 0.00 31.44 28.91 3ibz n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ibz n GLY 84 N 3.62 3.03 3.91 8.31 0.00 -1.26 -4.96 105.19 117.84 3ibz n GLY 84 Ca 0.15 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 3ibz n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ibz s GLU 85 N -4.24 3.59 3.95 1.61 0.41 -1.26 -4.82 118.70 117.94 3ibz s GLU 85 Ca 0.00 0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 3ibz s GLU 85 Cb 0.00 -2.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.90 3ibz s GLU 85 CO 0.00 -0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.10 3ibz n GLY 86 N -1.87 0.48 3.68 -1.39 0.00 -1.26 -4.66 105.19 100.16 3ibz n GLY 86 Ca -0.00 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 3ibz n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ibz s ASP 87 N -4.00 7.05 0.02 1.61 1.01 -1.26 -4.36 116.67 116.73 3ibz s ASP 87 Ca 0.00 1.71 0.03 0.00 0.71 0.00 0.00 52.55 54.99 3ibz s ASP 87 Cb 0.00 -2.55 -0.25 0.00 1.01 0.00 0.00 42.92 41.13 3ibz s ASP 87 CO 0.00 -0.62 0.90 0.44 0.21 0.00 0.00 175.17 176.10 3ibz h ASP 88 N 7.62 0.21 -4.24 0.27 3.32 -0.63 -3.46 116.42 119.51 3ibz h ASP 88 Ca -0.30 -0.30 -0.46 0.00 0.02 0.00 0.00 57.03 55.99 3ibz h ASP 88 Cb 1.13 -0.07 -0.27 0.00 0.22 0.00 0.00 39.33 40.34 3ibz h ASP 88 CO 0.91 1.25 -0.80 -1.61 -1.72 0.00 0.00 179.24 177.27 3ibz s GLU 89 N -2.63 1.01 0.04 3.56 2.02 -0.61 -4.59 118.70 117.50 3ibz s GLU 89 Ca -0.06 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.37 3ibz s GLU 89 Cb 0.08 -1.00 -0.02 0.00 0.10 0.00 0.00 34.13 33.29 3ibz s GLU 89 CO 0.84 0.26 -0.12 -0.65 0.02 0.00 0.00 175.26 175.61 3ibz s GLN 90 N -0.68 0.77 -0.16 1.61 -0.21 -1.26 -1.11 119.66 118.61 3ibz s GLN 90 Ca 0.04 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.73 3ibz s GLN 90 Cb -0.06 -0.72 0.02 0.00 1.00 0.00 0.00 33.01 33.25 3ibz s GLN 90 CO 0.00 0.17 -0.21 0.42 -2.12 0.00 0.00 175.29 173.56 3ibz s ILE 91 N -0.91 2.04 -0.19 1.08 1.01 -0.05 -0.85 121.20 123.34 3ibz s ILE 91 Ca -0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 3ibz s ILE 91 Cb -0.08 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 3ibz s ILE 91 CO 0.01 0.54 0.14 -0.54 0.00 0.00 0.00 174.94 175.09 3ibz s LYS 92 N 1.08 4.09 -0.12 2.79 1.02 0.25 -1.20 119.74 127.65 3ibz s LYS 92 Ca -0.00 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.80 3ibz s LYS 92 Cb -0.14 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 3ibz s LYS 92 CO -0.08 0.36 -0.11 0.42 -0.92 0.00 0.00 175.35 175.03 3ibz s ILE 93 N 0.17 1.26 -0.61 2.17 1.09 -0.43 -0.77 121.20 124.09 3ibz s ILE 93 Ca 0.09 -0.45 -0.16 0.00 -1.10 0.00 0.00 60.65 59.04 3ibz s ILE 93 Cb -0.11 -1.22 0.15 0.00 -1.06 0.00 0.00 42.46 40.21 3ibz s ILE 93 CO -0.01 0.41 0.58 0.21 -0.10 0.00 0.00 174.94 176.02 3ibz s ASN 94 N 1.51 6.31 0.52 3.58 3.84 -0.09 -1.61 114.94 129.01 3ibz s ASN 94 Ca 0.03 -1.96 0.24 0.00 0.21 0.00 0.00 52.86 51.38 3ibz s ASN 94 Cb -0.13 -2.22 1.40 0.00 -0.55 0.00 0.00 41.25 39.75 3ibz s ASN 94 CO -0.08 -0.82 2.09 -0.07 -2.79 0.00 0.00 177.10 175.43 3ibz h LEU 95 N 8.74 0.00 -1.73 3.21 3.38 -1.17 -2.68 115.31 125.06 3ibz h LEU 95 Ca -0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3ibz h LEU 95 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ibz h LEU 95 CO 0.98 0.11 -0.11 0.00 0.09 0.00 0.00 178.44 179.51 3ibz h ALA 96 N 1.89 1.78 -0.41 1.53 0.00 -1.90 -2.56 119.26 119.60 3ibz h ALA 96 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ibz h ALA 96 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ibz h ALA 96 CO 0.01 0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.68 3ibz n THR 97 N -4.39 0.84 -1.88 0.00 -2.24 -1.01 -4.95 114.28 100.65 3ibz n THR 97 Ca -0.02 -0.92 -0.42 0.00 -2.27 0.00 0.00 64.05 60.42 3ibz n THR 97 Cb 0.19 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 3ibz n THR 97 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ibz s VAL 98 N -1.05 2.52 0.65 2.28 1.01 -0.97 -4.70 120.40 120.15 3ibz s VAL 98 Ca 0.30 0.33 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 3ibz s VAL 98 Cb 0.16 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3ibz s VAL 98 CO 0.22 0.02 1.26 -2.65 0.00 0.00 0.00 175.10 173.95 3ibz n PRO 99 N 4.19 1.06 -0.27 2.72 -0.02 -1.26 -4.89 135.00 136.53 3ibz n PRO 99 Ca 0.15 0.42 0.20 0.00 -2.02 0.00 0.00 63.50 62.25 3ibz n PRO 99 Cb 0.38 -2.50 0.52 0.00 -0.02 0.00 0.00 33.50 31.88 3ibz n PRO 99 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ibz h ALA 100 N 0.47 2.24 0.00 3.55 0.00 -1.99 -1.07 119.26 122.46 3ibz h ALA 100 Ca -0.51 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ibz h ALA 100 Cb 1.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3ibz h ALA 100 CO 0.52 -0.56 0.00 0.22 0.00 0.00 0.00 179.25 179.44 3ibz h ASP 101 N 0.39 0.00 -3.45 0.00 3.58 -1.97 -3.42 116.42 111.56 3ibz h ASP 101 Ca 0.50 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 57.35 3ibz h ASP 101 Cb 1.28 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.23 3ibz h ASP 101 CO -0.20 0.00 0.10 -0.63 -2.88 0.00 0.00 179.24 175.63 3ibz s ILE 102 N -3.46 5.03 -0.08 2.25 -1.09 -0.41 -3.98 121.20 119.46 3ibz s ILE 102 Ca 0.04 1.11 0.12 0.00 -2.23 0.00 0.00 60.65 59.69 3ibz s ILE 102 Cb 0.09 -3.92 -0.17 0.00 -1.58 0.00 0.00 42.46 36.88 3ibz s ILE 102 CO 0.52 0.10 0.13 -0.62 -1.23 0.00 0.00 174.94 173.84 3ibz n GLU 103 N 5.20 1.43 -3.87 2.79 -0.58 0.12 -4.87 120.64 120.85 3ibz n GLU 103 Ca -0.02 -0.05 -0.11 0.00 -0.42 0.00 0.00 57.16 56.56 3ibz n GLU 103 Cb 0.50 -1.31 -0.10 0.00 -0.57 0.00 0.00 31.44 29.96 3ibz n GLU 103 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3ibz s LYS 104 N -2.52 0.48 -0.15 3.49 1.02 -1.14 -1.71 119.74 119.22 3ibz s LYS 104 Ca -0.06 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.53 3ibz s LYS 104 Cb 0.05 0.20 0.04 0.00 -0.52 0.00 0.00 37.83 37.60 3ibz s LYS 104 CO 0.51 -0.11 -0.06 0.42 -0.92 0.00 0.00 175.35 175.19 3ibz s ILE 105 N -1.37 1.07 0.03 2.17 1.01 0.26 -0.60 121.20 123.77 3ibz s ILE 105 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3ibz s ILE 105 Cb -0.08 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3ibz s ILE 105 CO 0.01 0.22 0.10 -0.69 0.00 0.00 0.00 174.94 174.59 3ibz s VAL 106 N 1.66 4.81 -0.46 2.92 1.01 -0.23 -0.98 120.40 129.13 3ibz s VAL 106 Ca 0.02 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3ibz s VAL 106 Cb -0.14 -3.25 0.12 0.00 0.00 0.00 0.00 36.38 33.11 3ibz s VAL 106 CO -0.08 0.26 0.20 -0.36 0.00 0.00 0.00 175.10 175.12 3ibz s PHE 107 N -1.29 3.25 0.63 5.22 0.08 -0.26 -0.93 117.98 124.68 3ibz s PHE 107 Ca 0.26 -3.07 -0.14 0.00 0.12 0.00 0.00 56.93 54.10 3ibz s PHE 107 Cb -0.12 -2.78 -0.02 0.00 -0.57 0.00 0.00 43.02 39.53 3ibz s PHE 107 CO 0.18 -0.80 1.07 -2.14 -0.10 0.00 0.00 175.22 173.42 3ibz s PRO 108 N 0.10 3.13 -0.01 0.24 0.02 -1.20 -0.81 135.00 136.47 3ibz s PRO 108 Ca 0.15 1.18 0.01 0.00 0.02 0.00 0.00 61.00 62.37 3ibz s PRO 108 Cb -0.24 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.28 3ibz s PRO 108 CO -0.03 -0.96 -0.04 0.54 -0.33 0.00 0.00 177.00 176.19 3ibz s VAL 109 N -2.57 0.38 0.12 3.83 0.11 -1.26 -1.66 120.40 119.35 3ibz s VAL 109 Ca 0.63 -0.15 -0.09 0.00 -2.93 0.00 0.00 61.98 59.44 3ibz s VAL 109 Cb -0.16 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.33 3ibz s VAL 109 CO 0.42 0.13 0.22 -0.94 -3.33 0.00 0.00 175.10 171.60 3ibz s SER 110 N 0.21 0.09 -0.23 3.54 1.04 -0.56 -4.26 113.70 113.52 3ibz s SER 110 Ca -0.02 -0.75 -0.09 0.00 0.48 0.00 0.00 55.95 55.56 3ibz s SER 110 Cb -0.06 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 3ibz s SER 110 CO -0.00 -0.79 0.13 -0.63 0.98 0.00 0.00 173.24 172.92 3ibz s ILE 111 N -3.91 5.09 0.22 -1.02 1.01 -0.21 -0.06 121.20 122.33 3ibz s ILE 111 Ca 0.10 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 3ibz s ILE 111 Cb 0.04 -3.37 -0.10 0.00 0.01 0.00 0.00 42.46 39.05 3ibz s ILE 111 CO -0.06 0.36 1.49 -0.47 0.00 0.00 0.00 174.94 176.25 3ibz s TYR 112 N 1.07 3.03 -1.51 3.97 5.04 0.32 -3.11 117.35 126.17 3ibz s TYR 112 Ca 0.06 0.88 -0.13 0.00 -2.44 0.00 0.00 57.07 55.45 3ibz s TYR 112 Cb -0.14 -3.86 0.08 0.00 0.35 0.00 0.00 41.96 38.39 3ibz s TYR 112 CO 0.04 -2.94 0.90 -3.47 -1.34 0.00 0.00 175.55 168.74 3ibz n ASP 113 N 2.93 -4.82 -0.05 4.32 2.03 -1.26 -4.79 116.55 114.91 3ibz n ASP 113 Ca 0.09 -0.69 -0.03 0.00 0.52 0.00 0.00 54.79 54.68 3ibz n ASP 113 Cb 0.40 -3.86 0.20 0.00 -0.72 0.00 0.00 41.12 37.14 3ibz n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ibz h ALA 114 N 0.97 1.17 0.58 -1.67 0.00 -1.87 -1.58 119.26 116.86 3ibz h ALA 114 Ca -0.56 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 3ibz h ALA 114 Cb 1.36 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3ibz h ALA 114 CO 0.65 0.53 -0.28 1.49 0.00 0.00 0.00 179.25 181.64 3ibz h GLU 115 N 0.60 -0.75 -0.85 0.00 4.81 -1.89 0.88 114.58 117.39 3ibz h GLU 115 Ca 0.11 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3ibz h GLU 115 Cb 0.48 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 3ibz h GLU 115 CO 0.03 -0.44 0.55 -0.91 -0.73 0.00 0.00 179.01 177.51 3ibz h ASN 116 N -0.96 0.85 0.78 1.04 2.35 -1.95 -1.81 115.58 115.86 3ibz h ASN 116 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3ibz h ASN 116 Cb 0.65 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3ibz h ASN 116 CO 0.13 0.55 -0.08 0.54 -1.65 0.00 0.00 177.43 176.92 3ibz n ARG 117 N -4.48 0.16 -3.67 0.81 1.74 -0.60 -4.93 116.66 105.68 3ibz n ARG 117 Ca 0.12 -0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.96 3ibz n ARG 117 Cb 0.19 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.16 3ibz n ARG 117 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3ibz n GLN 118 N -1.40 -4.35 -4.30 5.56 6.02 0.18 -5.00 117.38 114.10 3ibz n GLN 118 Ca 0.09 0.62 -0.28 0.00 -0.01 0.00 0.00 57.00 57.41 3ibz n GLN 118 Cb 0.31 -5.10 -0.11 0.00 1.02 0.00 0.00 30.24 26.37 3ibz n GLN 118 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ibz s GLN 119 N -5.89 1.88 0.17 -1.09 -0.21 -0.49 -5.04 119.66 108.99 3ibz s GLN 119 Ca 0.08 -1.21 -0.11 0.00 0.02 0.00 0.00 55.36 54.14 3ibz s GLN 119 Cb -0.02 -2.13 -0.00 0.00 1.00 0.00 0.00 33.01 31.86 3ibz s GLN 119 CO 0.81 0.46 0.33 -1.54 -2.12 0.00 0.00 175.29 173.23 3ibz s SER 120 N -2.39 -0.01 0.52 5.90 1.04 -1.26 -4.75 113.70 112.74 3ibz s SER 120 Ca 0.21 -0.79 0.18 0.00 0.48 0.00 0.00 55.95 56.02 3ibz s SER 120 Cb -0.10 0.46 1.31 0.00 0.10 0.00 0.00 66.02 67.79 3ibz s SER 120 CO 0.12 -0.92 2.14 -0.26 0.98 0.00 0.00 173.24 175.30 3ibz h PHE 121 N 2.48 0.00 0.00 5.02 0.04 -1.18 -2.00 116.94 121.31 3ibz h PHE 121 Ca -0.31 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.44 3ibz h PHE 121 Cb 1.23 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.38 3ibz h PHE 121 CO 0.39 0.02 -0.07 0.78 -0.60 0.00 0.00 178.31 178.83 3ibz h GLY 122 N 0.07 0.00 2.00 -1.45 0.00 -1.17 -1.86 103.07 100.66 3ibz h GLY 122 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ibz h GLY 122 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.00 3ibz h GLN 123 N 0.00 0.00 -6.01 4.80 4.20 -1.61 -3.46 115.11 113.03 3ibz h GLN 123 Ca -0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 3ibz h GLN 123 Cb 0.41 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 3ibz h GLN 123 CO 0.01 0.00 -0.08 0.08 -0.67 0.00 0.00 178.83 178.17 3ibz s VAL 124 N -3.23 4.97 0.04 -0.54 1.01 -0.70 -5.06 120.40 116.89 3ibz s VAL 124 Ca 0.07 1.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.92 3ibz s VAL 124 Cb 0.06 -3.86 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 3ibz s VAL 124 CO 0.66 0.45 0.71 -0.13 0.00 0.00 0.00 175.10 176.78 3ibz s ARG 125 N -0.30 4.44 -1.39 2.72 1.81 -1.26 -4.39 118.95 120.57 3ibz s ARG 125 Ca 0.28 0.96 -0.08 0.00 -1.72 0.00 0.00 55.73 55.17 3ibz s ARG 125 Cb -0.17 -3.35 0.03 0.00 -0.45 0.00 0.00 34.95 31.01 3ibz s ARG 125 CO 0.15 0.33 1.04 0.09 -0.68 0.00 0.00 175.30 176.24 3ibz n ASN 126 N 2.70 -4.69 -4.68 0.23 3.02 -1.26 -1.66 115.26 108.92 3ibz n ASN 126 Ca -0.04 -0.66 -0.40 0.00 -0.03 0.00 0.00 54.58 53.45 3ibz n ASN 126 Cb 0.50 -4.58 -0.05 0.00 -0.61 0.00 0.00 39.78 35.05 3ibz n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ibz s ALA 127 N -3.36 3.48 0.03 5.41 0.00 -1.26 -4.04 121.76 122.02 3ibz s ALA 127 Ca 0.46 -0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.23 3ibz s ALA 127 Cb -0.22 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 19.90 3ibz s ALA 127 CO 0.77 -0.43 0.20 -0.59 0.00 0.00 0.00 175.76 175.72 3ibz s PHE 128 N 1.60 0.03 -0.00 0.00 -0.12 -0.25 -1.36 117.98 117.88 3ibz s PHE 128 Ca 0.33 -0.21 0.04 0.00 -0.05 0.00 0.00 56.93 57.04 3ibz s PHE 128 Cb -0.16 -0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.20 3ibz s PHE 128 CO 0.13 -0.41 -0.13 -1.50 -0.05 0.00 0.00 175.22 173.26 3ibz s ILE 129 N -2.32 1.01 0.12 -4.49 2.07 -0.69 -1.78 121.20 115.13 3ibz s ILE 129 Ca -0.07 -0.61 -0.05 0.00 -1.41 0.00 0.00 60.65 58.51 3ibz s ILE 129 Cb -0.02 -0.86 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 3ibz s ILE 129 CO -0.02 0.24 0.15 0.00 -1.91 0.00 0.00 174.94 173.39 3ibz s ARG 130 N -0.42 0.95 -0.06 3.50 1.70 0.27 -0.23 118.95 124.67 3ibz s ARG 130 Ca 0.04 -1.24 0.02 0.00 -0.47 0.00 0.00 55.73 54.09 3ibz s ARG 130 Cb -0.05 0.30 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 3ibz s ARG 130 CO -0.00 -0.30 -0.12 0.54 -1.08 0.00 0.00 175.30 174.34 3ibz s VAL 131 N -3.97 1.10 -0.07 4.99 0.11 -0.23 -0.74 120.40 121.59 3ibz s VAL 131 Ca 0.16 -0.47 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 3ibz s VAL 131 Cb 0.06 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.90 3ibz s VAL 131 CO -0.03 0.34 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.17 3ibz s VAL 132 N 0.58 1.88 -0.51 2.04 1.01 0.06 -0.46 120.40 124.99 3ibz s VAL 132 Ca -0.13 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 3ibz s VAL 132 Cb -0.15 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.65 3ibz s VAL 132 CO 0.03 0.52 0.97 0.21 0.00 0.00 0.00 175.10 176.83 3ibz s ASN 133 N 0.07 6.44 0.53 3.32 3.84 0.10 -1.34 114.94 127.90 3ibz s ASN 133 Ca -0.09 -0.05 0.22 0.00 0.21 0.00 0.00 52.86 53.16 3ibz s ASN 133 Cb -0.15 -2.46 1.46 0.00 -0.55 0.00 0.00 41.25 39.55 3ibz s ASN 133 CO 0.05 -1.17 2.15 1.56 -2.79 0.00 0.00 177.10 176.90 3ibz h GLN 134 N 9.23 0.00 -5.82 0.43 4.20 -1.55 0.30 115.11 121.90 3ibz h GLN 134 Ca -0.25 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.09 3ibz h GLN 134 Cb 1.07 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.79 3ibz h GLN 134 CO 1.07 0.05 0.93 0.00 -0.67 0.00 0.00 178.83 180.21 3ibz s ALA 135 N -4.70 1.92 0.00 3.87 0.00 -1.26 -3.27 121.76 118.33 3ibz s ALA 135 Ca -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.27 3ibz s ALA 135 Cb 0.15 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.74 3ibz s ALA 135 CO 0.62 -4.51 0.00 0.41 0.00 0.00 0.00 175.76 172.28 3ibz n GLY 136 N 6.81 0.75 3.02 0.00 0.00 -1.25 -4.59 105.19 109.94 3ibz n GLY 136 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3ibz n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ibz n GLU 137 N -2.22 -1.92 -1.93 1.61 2.13 0.08 -4.94 120.64 113.46 3ibz n GLU 137 Ca 0.00 0.47 -0.42 0.00 0.66 0.00 0.00 57.16 57.87 3ibz n GLU 137 Cb 0.00 -4.92 -0.02 0.00 0.27 0.00 0.00 31.44 26.76 3ibz n GLU 137 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ibz s ALA 138 N -0.98 3.70 -0.04 4.31 0.00 -1.15 -4.69 121.76 122.92 3ibz s ALA 138 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 3ibz s ALA 138 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3ibz s ALA 138 CO 0.00 -0.81 1.18 -2.00 0.00 0.00 0.00 175.76 174.13 3ibz s GLU 139 N 0.05 4.37 -0.03 0.00 2.12 -1.26 0.01 118.70 123.96 3ibz s GLU 139 Ca 0.63 1.66 -0.11 0.00 0.36 0.00 0.00 54.97 57.51 3ibz s GLU 139 Cb -0.44 -3.53 -0.32 0.00 0.26 0.00 0.00 34.13 30.11 3ibz s GLU 139 CO 0.41 -0.40 0.75 0.82 -0.54 0.00 0.00 175.26 176.29 3ibz h ILE 140 N 4.95 1.02 -1.78 -3.70 2.04 -1.12 -3.47 117.51 115.46 3ibz h ILE 140 Ca -0.35 -2.57 0.01 0.00 1.00 0.00 0.00 64.86 62.95 3ibz h ILE 140 Cb 1.17 2.82 -0.21 0.00 -0.74 0.00 0.00 36.82 39.85 3ibz h ILE 140 CO 0.87 0.85 0.36 0.00 0.00 0.00 0.00 178.15 180.23 3ibz s ALA 141 N -2.59 -1.86 0.02 1.87 0.00 -1.18 -5.00 121.76 113.02 3ibz s ALA 141 Ca -0.14 1.53 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 3ibz s ALA 141 Cb 0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 3ibz s ALA 141 CO 0.87 -0.33 0.06 0.50 0.00 0.00 0.00 175.76 176.87 3ibz s ARG 142 N -0.92 0.44 -0.05 0.00 3.52 -1.26 -1.06 118.95 119.62 3ibz s ARG 142 Ca -0.05 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.00 3ibz s ARG 142 Cb -0.01 0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.57 3ibz s ARG 142 CO 0.04 -0.10 -0.09 -0.47 -0.81 0.00 0.00 175.30 173.88 3ibz s TYR 143 N -1.72 1.12 -0.75 5.12 5.04 0.68 -4.99 117.35 121.86 3ibz s TYR 143 Ca -0.13 -0.38 -0.20 0.00 -2.44 0.00 0.00 57.07 53.92 3ibz s TYR 143 Cb -0.07 -0.87 0.10 0.00 0.35 0.00 0.00 41.96 41.47 3ibz s TYR 143 CO -0.01 -0.23 0.96 0.34 -1.34 0.00 0.00 175.55 175.28 3ibz s ASP 144 N 0.74 6.35 0.12 4.32 -1.08 -1.26 -1.71 116.67 124.15 3ibz s ASP 144 Ca -0.13 -1.51 -0.13 0.00 -0.52 0.00 0.00 52.55 50.26 3ibz s ASP 144 Cb -0.15 -2.38 -0.06 0.00 -1.46 0.00 0.00 42.92 38.87 3ibz s ASP 144 CO 0.02 -1.22 1.46 -0.07 0.52 0.00 0.00 175.17 175.89 3ibz h LEU 145 N 10.63 0.84 -0.87 -1.34 3.38 -1.58 -0.15 115.31 126.22 3ibz h LEU 145 Ca -0.12 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.50 3ibz h LEU 145 Cb 1.06 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 3ibz h LEU 145 CO 1.13 1.10 0.52 0.28 0.09 0.00 0.00 178.44 181.56 3ibz h SER 146 N 0.58 0.77 0.17 -0.43 0.02 -1.70 -1.55 113.55 111.40 3ibz h SER 146 Ca 0.06 0.04 -0.35 0.00 -0.84 0.00 0.00 61.79 60.70 3ibz h SER 146 Cb 0.84 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 3ibz h SER 146 CO 0.07 0.45 -2.07 1.21 -1.14 0.00 0.00 176.83 175.34 3ibz n GLU 147 N -4.69 0.70 -0.00 3.45 4.07 -1.16 -4.24 120.64 118.77 3ibz n GLU 147 Ca 0.14 0.22 0.06 0.00 -0.06 0.00 0.00 57.16 57.52 3ibz n GLU 147 Cb 0.27 -1.67 -0.07 0.00 -0.06 0.00 0.00 31.44 29.91 3ibz n GLU 147 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3ibz n ASP 148 N -3.26 0.69 -2.25 4.31 8.00 -0.08 -4.44 116.55 119.52 3ibz n ASP 148 Ca -0.32 -0.72 -0.15 0.00 0.71 0.00 0.00 54.79 54.31 3ibz n ASP 148 Cb 1.05 1.04 0.03 0.00 -0.02 0.00 0.00 41.12 43.23 3ibz n ASP 148 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibz n ALA 149 N -1.33 4.17 -0.28 2.24 0.00 -0.58 -4.94 120.51 119.78 3ibz n ALA 149 Ca 0.02 -3.43 0.09 0.00 0.00 0.00 0.00 53.44 50.12 3ibz n ALA 149 Cb 0.20 -0.51 0.24 0.00 0.00 0.00 0.00 19.45 19.38 3ibz n ALA 149 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ibz h SER 150 N 2.28 0.26 -0.12 0.00 0.02 -1.73 -1.30 113.55 112.95 3ibz h SER 150 Ca 0.19 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3ibz h SER 150 Cb 1.44 0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.11 3ibz h SER 150 CO 0.55 0.04 0.00 0.35 -1.14 0.00 0.00 176.83 176.63 3ibz n THR 151 N -5.04 0.13 -3.32 -2.27 -2.24 -1.26 -0.85 114.28 99.43 3ibz n THR 151 Ca 0.18 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 3ibz n THR 151 Cb 0.52 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 3ibz n THR 151 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ibz s GLU 152 N -1.87 3.66 -0.00 -0.78 0.41 -0.49 -4.86 118.70 114.77 3ibz s GLU 152 Ca 0.33 0.07 0.04 0.00 -0.41 0.00 0.00 54.97 55.00 3ibz s GLU 152 Cb 0.21 -2.64 -0.05 0.00 -1.78 0.00 0.00 34.13 29.87 3ibz s GLU 152 CO 0.31 0.22 0.16 0.25 -0.49 0.00 0.00 175.26 175.70 3ibz n THR 153 N -0.83 0.00 -3.73 3.63 -2.24 -1.26 -1.20 114.28 108.65 3ibz n THR 153 Ca -0.01 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 3ibz n THR 153 Cb 0.54 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 3ibz n THR 153 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ibz s ALA 154 N -1.48 -1.07 -0.22 6.98 0.00 -1.26 -1.04 121.76 123.67 3ibz s ALA 154 Ca 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 3ibz s ALA 154 Cb 0.03 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 3ibz s ALA 154 CO 0.16 -0.85 -0.04 0.08 0.00 0.00 0.00 175.76 175.11 3ibz s VAL 156 N -3.87 3.40 -0.06 0.00 1.01 0.57 -1.29 120.40 120.16 3ibz s VAL 156 Ca 0.09 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 3ibz s VAL 156 Cb -0.02 -2.56 -0.21 0.00 0.00 0.00 0.00 36.38 33.60 3ibz s VAL 156 CO -0.02 0.41 1.04 0.15 0.00 0.00 0.00 175.10 176.68 3ibz h PHE 157 N 8.12 -0.04 -1.30 5.22 3.57 -1.29 0.21 116.94 131.42 3ibz h PHE 157 Ca -0.41 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.17 3ibz h PHE 157 Cb 1.16 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 3ibz h PHE 157 CO 0.59 0.58 0.20 0.41 -2.23 0.00 0.00 178.31 177.86 3ibz n GLY 158 N 0.71 0.46 3.13 2.40 0.00 -1.25 -0.65 105.19 109.99 3ibz n GLY 158 Ca -0.09 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 3ibz n GLY 158 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ibz s GLU 159 N -2.00 0.44 0.02 1.61 -1.05 -0.31 -1.10 118.70 116.31 3ibz s GLU 159 Ca 0.07 -0.13 -0.19 0.00 -0.15 0.00 0.00 54.97 54.56 3ibz s GLU 159 Cb -0.00 0.19 -0.06 0.00 -0.44 0.00 0.00 34.13 33.82 3ibz s GLU 159 CO -0.00 -0.10 0.56 -0.51 0.95 0.00 0.00 175.26 176.15 3ibz s LEU 160 N -0.88 4.46 0.03 1.83 1.43 -0.15 -0.52 118.68 124.87 3ibz s LEU 160 Ca -0.10 1.15 -0.02 0.00 -1.03 0.00 0.00 54.13 54.14 3ibz s LEU 160 Cb -0.05 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 3ibz s LEU 160 CO 0.02 0.19 0.01 -0.72 0.23 0.00 0.00 176.35 176.07 3ibz s TYR 161 N -0.58 0.28 0.24 0.29 -0.85 0.17 -0.57 117.35 116.33 3ibz s TYR 161 Ca 0.29 -0.60 -0.30 0.00 -0.52 0.00 0.00 57.07 55.94 3ibz s TYR 161 Cb -0.18 -0.21 -0.09 0.00 0.38 0.00 0.00 41.96 41.86 3ibz s TYR 161 CO 0.17 -0.27 1.02 1.03 -1.52 0.00 0.00 175.55 175.98 3ibz s ARG 162 N -2.18 4.73 -0.31 -3.49 0.52 -0.69 -1.28 118.95 116.25 3ibz s ARG 162 Ca -0.09 1.63 -0.01 0.00 -0.52 0.00 0.00 55.73 56.74 3ibz s ARG 162 Cb -0.04 -3.25 0.10 0.00 0.52 0.00 0.00 34.95 32.27 3ibz s ARG 162 CO -0.03 0.33 0.11 -1.58 0.02 0.00 0.00 175.30 174.14 3ibz s HIS 163 N -0.96 1.39 0.00 -0.53 5.65 -0.16 -4.91 115.29 115.77 3ibz s HIS 163 Ca 0.44 -1.56 0.00 0.00 0.25 0.00 0.00 55.06 54.19 3ibz s HIS 163 Cb -0.28 -1.52 0.00 0.00 -1.18 0.00 0.00 32.58 29.59 3ibz s HIS 163 CO 0.35 -0.86 0.00 0.41 -0.65 0.00 0.00 174.74 173.99 3ibz n GLY 164 N 4.89 3.68 0.22 1.59 0.00 -1.26 -1.39 105.19 112.91 3ibz n GLY 164 Ca -0.02 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.09 3ibz n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ibz n ALA 165 N 11.92 2.63 -2.56 4.61 0.00 -1.26 -4.91 120.51 130.94 3ibz n ALA 165 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 3ibz n ALA 165 Cb 0.00 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.05 3ibz n ALA 165 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ibz s GLU 166 N -1.99 2.21 -0.05 0.00 2.02 -0.49 -5.04 118.70 115.36 3ibz s GLU 166 Ca 0.42 -2.14 0.07 0.00 0.02 0.00 0.00 54.97 53.34 3ibz s GLU 166 Cb 0.21 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 3ibz s GLU 166 CO 0.34 -0.37 -0.25 -1.58 0.02 0.00 0.00 175.26 173.42 3ibz s TRP 167 N -2.77 2.35 0.34 1.61 0.52 -1.26 -0.99 118.94 118.74 3ibz s TRP 167 Ca 0.24 -0.62 0.10 0.00 0.02 0.00 0.00 56.10 55.84 3ibz s TRP 167 Cb 0.01 -1.54 -0.06 0.00 -1.15 0.00 0.00 33.47 30.73 3ibz s TRP 167 CO 0.14 -0.16 -0.09 0.15 0.02 0.00 0.00 176.95 177.01 3ibz s LYS 168 N -0.28 1.83 -0.09 4.98 1.02 -0.41 -3.91 119.74 122.88 3ibz s LYS 168 Ca 0.00 -1.93 -0.02 0.00 0.02 0.00 0.00 55.97 54.04 3ibz s LYS 168 Cb -0.12 -1.71 -0.03 0.00 -0.52 0.00 0.00 37.83 35.44 3ibz s LYS 168 CO 0.02 0.14 0.01 0.12 -0.92 0.00 0.00 175.35 174.72 3ibz s PHE 169 N -2.61 3.18 -0.10 3.18 5.36 -1.26 -0.66 117.98 125.08 3ibz s PHE 169 Ca 0.33 0.21 -0.00 0.00 -0.96 0.00 0.00 56.93 56.51 3ibz s PHE 169 Cb 0.02 -1.80 0.02 0.00 -0.34 0.00 0.00 43.02 40.93 3ibz s PHE 169 CO 0.17 0.48 -0.07 0.50 -1.46 0.00 0.00 175.22 174.84 3ibz s ARG 170 N -0.89 1.45 0.34 10.12 3.52 0.32 -4.99 118.95 128.82 3ibz s ARG 170 Ca 0.13 -0.24 -0.28 0.00 -0.13 0.00 0.00 55.73 55.22 3ibz s ARG 170 Cb -0.11 -1.50 -0.09 0.00 -1.56 0.00 0.00 34.95 31.68 3ibz s ARG 170 CO 0.02 -0.23 1.20 0.00 -0.81 0.00 0.00 175.30 175.48 3ibz s ALA 171 N 1.60 3.36 0.10 6.12 0.00 -1.26 -1.16 121.76 130.52 3ibz s ALA 171 Ca 0.03 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3ibz s ALA 171 Cb -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3ibz s ALA 171 CO -0.07 -0.46 0.00 -0.89 0.00 0.00 0.00 175.76 174.35 3ibz n ILE 172 N 0.68 1.05 -3.20 0.00 5.41 0.18 -4.91 119.36 118.57 3ibz n ILE 172 Ca 0.01 0.35 -0.15 0.00 1.00 0.00 0.00 62.75 63.95 3ibz n ILE 172 Cb 0.44 -1.46 0.06 0.00 -0.71 0.00 0.00 39.64 37.97 3ibz n ILE 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ibz n GLY 173 N 3.35 -0.12 3.53 7.39 0.00 -0.00 -4.99 105.19 114.35 3ibz n GLY 173 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3ibz n GLY 173 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ibz s GLN 174 N -5.61 3.80 0.55 1.61 2.00 -0.81 -4.91 119.66 116.29 3ibz s GLN 174 Ca 0.28 -0.41 -0.16 0.00 -2.00 0.00 0.00 55.36 53.07 3ibz s GLN 174 Cb -0.12 -3.36 -0.06 0.00 0.80 0.00 0.00 33.01 30.27 3ibz s GLN 174 CO 0.52 -0.05 1.02 0.20 -0.50 0.00 0.00 175.29 176.47 3ibz s GLY 175 N 1.28 2.07 -0.04 2.59 0.00 -1.26 -0.31 107.32 111.65 3ibz s GLY 175 Ca 0.05 0.25 -0.00 0.00 0.00 0.00 0.00 44.72 45.03 3ibz s GLY 175 CO 0.04 0.55 -0.00 -0.19 0.00 0.00 0.00 173.10 173.50 3ibz s TYR 176 N -2.58 0.47 -0.55 1.90 2.02 -0.42 -4.91 117.35 113.29 3ibz s TYR 176 Ca 0.61 -0.06 0.26 0.00 -0.37 0.00 0.00 57.07 57.50 3ibz s TYR 176 Cb -0.12 -0.57 0.76 0.00 -0.40 0.00 0.00 41.96 41.62 3ibz s TYR 176 CO 0.34 -0.20 1.74 0.00 -1.57 0.00 0.00 175.55 175.87 3ibz h ALA 177 N 7.61 1.00 -0.56 3.71 0.00 -1.99 -3.32 119.26 125.71 3ibz h ALA 177 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ibz h ALA 177 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ibz h ALA 177 CO 0.39 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 3ibz n SER 178 N -2.55 4.14 -0.00 0.00 3.41 -1.26 -5.04 113.62 112.33 3ibz n SER 178 Ca 0.04 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 3ibz n SER 178 Cb 0.42 -0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3ibz n SER 178 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ibz n GLY 179 N 1.05 -2.12 0.35 5.00 0.00 -1.25 -1.83 105.19 106.39 3ibz n GLY 179 Ca 0.22 -1.44 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 3ibz n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ibz h LEU 180 N 0.00 1.01 -0.71 0.99 5.85 -1.90 -2.42 115.31 118.12 3ibz h LEU 180 Ca 0.00 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3ibz h LEU 180 Cb 0.00 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 3ibz h LEU 180 CO 0.00 0.80 0.41 -0.09 -0.34 0.00 0.00 178.44 179.22 3ibz h ARG 181 N 1.14 0.72 -0.59 1.25 2.43 -1.99 -0.35 114.38 117.00 3ibz h ARG 181 Ca 0.29 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3ibz h ARG 181 Cb 0.01 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3ibz h ARG 181 CO -0.05 0.48 0.16 0.78 -1.51 0.00 0.00 179.97 179.83 3ibz h GLY 182 N 0.74 0.97 0.89 2.80 0.00 -0.88 -0.84 103.07 106.75 3ibz h GLY 182 Ca 0.32 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3ibz h GLY 182 CO -0.18 0.52 -0.19 -2.22 0.00 0.00 0.00 176.54 174.46 3ibz h ILE 183 N 0.87 0.60 -0.82 2.60 2.04 -1.14 -2.31 117.51 119.35 3ibz h ILE 183 Ca 0.19 -0.20 0.18 0.00 1.00 0.00 0.00 64.86 66.03 3ibz h ILE 183 Cb 0.29 0.71 -0.11 0.00 -0.74 0.00 0.00 36.82 36.96 3ibz h ILE 183 CO -0.00 0.04 0.32 0.00 0.00 0.00 0.00 178.15 178.50 3ibz h ALA 184 N -0.10 1.20 -0.17 1.87 0.00 -0.80 -2.42 119.26 118.83 3ibz h ALA 184 Ca -0.06 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3ibz h ALA 184 Cb 0.48 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ibz h ALA 184 CO 0.09 -0.28 -0.44 1.96 0.00 0.00 0.00 179.25 180.59 3ibz h GLN 185 N 0.40 0.41 -0.94 0.00 4.20 -1.07 -0.93 115.11 117.18 3ibz h GLN 185 Ca 0.47 -0.21 0.09 0.00 0.06 0.00 0.00 58.65 59.06 3ibz h GLN 185 Cb 0.81 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.53 3ibz h GLN 185 CO -0.48 0.77 0.58 0.22 -0.67 0.00 0.00 178.83 179.26 3ibz h ASP 186 N 0.33 0.89 -0.56 1.46 3.58 -0.93 -2.57 116.42 118.63 3ibz h ASP 186 Ca 0.03 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3ibz h ASP 186 Cb 0.90 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.80 3ibz h ASP 186 CO 0.08 0.53 0.00 0.49 -2.88 0.00 0.00 179.24 177.45 3ibz n PHE 187 N -4.61 1.05 -0.41 0.28 3.72 -0.98 -4.94 117.46 111.57 3ibz n PHE 187 Ca 0.16 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 3ibz n PHE 187 Cb 0.25 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3ibz n PHE 187 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ibz n GLY 188 N 1.18 0.77 3.75 1.37 0.00 -0.90 -1.47 105.19 109.89 3ibz n GLY 188 Ca 0.21 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3ibz n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ibz s VAL 189 N -2.00 3.72 -1.10 1.61 1.01 -0.40 -4.77 120.40 118.48 3ibz s VAL 189 Ca 0.00 1.60 -0.22 0.00 0.00 0.00 0.00 61.98 63.36 3ibz s VAL 189 Cb 0.00 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.40 3ibz s VAL 189 CO 0.00 0.32 1.62 0.20 0.00 0.00 0.00 175.10 177.25 3ibz s ASN 190 N -0.49 6.34 0.00 3.32 0.01 -1.26 -4.33 114.94 118.53 3ibz s ASN 190 Ca 0.47 -1.66 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 3ibz s ASN 190 Cb -0.30 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.79 3ibz s ASN 190 CO 0.37 -1.66 0.00 0.55 -1.51 0.00 0.00 177.10 174.85