#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pzz s GLU 3 N 0.00 0.26 -0.17 1.96 -1.05 -0.84 -4.61 118.70 114.25 2pzz s GLU 3 Ca 0.00 -0.08 -0.05 0.00 -0.15 0.00 0.00 54.97 54.69 2pzz s GLU 3 Cb 0.00 0.11 -0.03 0.00 -0.44 0.00 0.00 34.13 33.77 2pzz s GLU 3 CO 0.00 -0.05 0.01 0.08 0.95 0.00 0.00 175.26 176.25 2pzz s VAL 4 N -0.52 4.30 -0.17 1.83 1.01 0.07 -1.11 120.40 125.80 2pzz s VAL 4 Ca -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 2pzz s VAL 4 Cb -0.04 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2pzz s VAL 4 CO 0.00 0.48 -0.00 -0.63 0.00 0.00 0.00 175.10 174.95 2pzz s ILE 5 N 0.33 4.14 -0.03 2.22 1.09 0.04 -2.21 121.20 126.78 2pzz s ILE 5 Ca -0.01 -0.26 0.07 0.00 -1.10 0.00 0.00 60.65 59.35 2pzz s ILE 5 Cb -0.13 -2.84 -0.02 0.00 -1.06 0.00 0.00 42.46 38.41 2pzz s ILE 5 CO 0.02 0.47 -0.25 -0.63 -0.10 0.00 0.00 174.94 174.44 2pzz s ILE 6 N 0.51 2.01 -0.09 2.92 -1.09 0.22 -1.19 121.20 124.48 2pzz s ILE 6 Ca -0.01 -1.08 -0.05 0.00 -2.23 0.00 0.00 60.65 57.29 2pzz s ILE 6 Cb -0.14 -1.68 0.04 0.00 -1.58 0.00 0.00 42.46 39.11 2pzz s ILE 6 CO 0.02 0.57 0.22 -0.54 -1.23 0.00 0.00 174.94 173.97 2pzz s LYS 7 N -0.47 0.17 -0.10 2.79 1.02 -0.72 -0.52 119.74 121.91 2pzz s LYS 7 Ca 0.06 0.49 -0.04 0.00 0.02 0.00 0.00 55.97 56.50 2pzz s LYS 7 Cb -0.11 -0.14 0.05 0.00 -0.52 0.00 0.00 37.83 37.11 2pzz s LYS 7 CO 0.00 -0.17 0.22 0.00 -0.92 0.00 0.00 175.35 174.48 2pzz s ALA 8 N 1.28 -0.45 0.34 5.17 0.00 -0.58 -0.32 121.76 127.20 2pzz s ALA 8 Ca -0.09 0.86 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 2pzz s ALA 8 Cb -0.11 -0.73 -0.10 0.00 0.00 0.00 0.00 23.12 22.18 2pzz s ALA 8 CO -0.08 -0.36 0.84 -1.59 0.00 0.00 0.00 175.76 174.57 2pzz s LYS 9 N 1.71 4.22 -0.33 0.00 -2.85 -1.26 0.09 119.74 121.31 2pzz s LYS 9 Ca -0.05 0.96 0.01 0.00 -1.00 0.00 0.00 55.97 55.89 2pzz s LYS 9 Cb -0.11 -2.49 0.08 0.00 -2.06 0.00 0.00 37.83 33.25 2pzz s LYS 9 CO -0.08 0.16 0.05 0.08 0.10 0.00 0.00 175.35 175.66 2pzz s VAL 10 N -1.91 2.68 0.85 1.79 1.01 0.64 -4.90 120.40 120.57 2pzz s VAL 10 Ca 0.54 -1.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.48 2pzz s VAL 10 Cb -0.12 -2.77 0.10 0.00 0.00 0.00 0.00 36.38 33.59 2pzz s VAL 10 CO 0.18 -0.41 1.09 -0.54 0.00 0.00 0.00 175.10 175.42 2pzz s LYS 11 N 1.08 1.60 0.26 2.72 1.02 -1.26 -1.20 119.74 123.96 2pzz s LYS 11 Ca 0.03 1.04 -0.01 0.00 0.02 0.00 0.00 55.97 57.05 2pzz s LYS 11 Cb -0.20 -1.83 0.56 0.00 -0.52 0.00 0.00 37.83 35.84 2pzz s LYS 11 CO -0.05 -2.07 1.72 -1.35 -0.92 0.00 0.00 175.35 172.68 2pzz h PRO 12 N -1.43 0.42 -0.01 -1.68 0.11 -1.87 0.17 132.00 127.71 2pzz h PRO 12 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pzz h PRO 12 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2pzz h PRO 12 CO 0.52 0.28 0.00 0.25 -0.21 0.00 0.00 178.00 178.83 2pzz n THR 13 N -5.02 0.01 -3.27 -1.15 -2.24 -1.26 -4.85 114.28 96.50 2pzz n THR 13 Ca 0.17 -0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.65 2pzz n THR 13 Cb 0.51 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 2pzz n THR 13 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pzz s GLU 14 N -1.99 3.55 -0.36 -0.78 2.02 0.05 -5.07 118.70 116.11 2pzz s GLU 14 Ca 0.41 -0.13 -0.15 0.00 0.02 0.00 0.00 54.97 55.12 2pzz s GLU 14 Cb 0.19 -2.62 -0.00 0.00 0.10 0.00 0.00 34.13 31.80 2pzz s GLU 14 CO 0.32 0.13 0.33 0.34 0.02 0.00 0.00 175.26 176.40 2pzz s ASP 15 N -3.68 6.14 0.37 -0.19 -1.08 -1.26 -4.82 116.67 112.15 2pzz s ASP 15 Ca 0.42 -0.44 0.12 0.00 -0.52 0.00 0.00 52.55 52.14 2pzz s ASP 15 Cb -0.10 -2.18 0.92 0.00 -1.46 0.00 0.00 42.92 40.11 2pzz s ASP 15 CO 0.35 -0.35 1.82 0.07 0.52 0.00 0.00 175.17 177.58 2pzz h LYS 16 N 8.53 0.56 -0.02 4.34 2.10 -1.96 -0.25 116.57 129.87 2pzz h LYS 16 Ca -0.29 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.18 2pzz h LYS 16 Cb 1.14 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 32.33 2pzz h LYS 16 CO 0.69 0.37 -0.63 1.88 -2.00 0.00 0.00 179.45 179.77 2pzz h TYR 17 N 0.58 0.11 -0.38 0.07 0.05 -1.98 -1.05 116.97 114.36 2pzz h TYR 17 Ca 0.51 -0.04 -0.16 0.00 0.05 0.00 0.00 58.73 59.09 2pzz h TYR 17 Cb 1.03 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 2pzz h TYR 17 CO -0.00 0.69 -0.37 0.87 -1.05 0.00 0.00 178.16 178.29 2pzz h LYS 18 N 0.06 0.91 -0.46 4.88 1.57 -1.48 -0.54 116.57 121.51 2pzz h LYS 18 Ca -0.01 -0.47 -0.06 0.00 -1.87 0.00 0.00 60.65 58.25 2pzz h LYS 18 Cb 1.12 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 2pzz h LYS 18 CO 0.09 1.12 0.06 0.28 -0.57 0.00 0.00 179.45 180.43 2pzz h VAL 19 N 0.75 1.25 -0.70 0.50 2.07 -1.30 -1.86 116.25 116.96 2pzz h VAL 19 Ca 0.06 -0.93 0.09 0.00 0.82 0.00 0.00 66.70 66.74 2pzz h VAL 19 Cb 0.96 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 2pzz h VAL 19 CO 0.09 0.33 0.36 0.50 0.02 0.00 0.00 177.57 178.86 2pzz h LYS 20 N 0.63 0.60 0.00 1.57 3.64 -0.88 -0.39 116.57 121.73 2pzz h LYS 20 Ca 0.14 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2pzz h LYS 20 Cb 0.40 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2pzz h LYS 20 CO 0.01 0.39 -0.34 0.87 -2.27 0.00 0.00 179.45 178.11 2pzz h LYS 21 N 0.61 0.00 -0.43 1.90 1.57 -0.83 -0.96 116.57 118.44 2pzz h LYS 21 Ca 0.34 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 2pzz h LYS 21 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2pzz h LYS 21 CO -0.25 0.34 0.14 0.00 -0.57 0.00 0.00 179.45 179.11 2pzz h ALA 22 N 1.66 0.56 0.95 3.86 0.00 -0.27 -1.74 119.26 124.28 2pzz h ALA 22 Ca -0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2pzz h ALA 22 Cb 0.61 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2pzz h ALA 22 CO 0.04 0.20 -0.46 0.82 0.00 0.00 0.00 179.25 179.85 2pzz h ILE 23 N 0.55 0.00 -0.24 0.00 1.08 -0.40 -3.10 117.51 115.40 2pzz h ILE 23 Ca 0.14 -0.02 0.07 0.00 -0.39 0.00 0.00 64.86 64.66 2pzz h ILE 23 Cb 0.25 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 2pzz h ILE 23 CO -0.01 0.00 0.21 -0.07 -0.69 0.00 0.00 178.15 177.60 2pzz h LEU 24 N -1.30 0.00 -2.02 1.44 3.38 -1.22 0.14 115.31 115.73 2pzz h LEU 24 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2pzz h LEU 24 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2pzz h LEU 24 CO 0.21 0.00 -0.09 0.78 0.09 0.00 0.00 178.44 179.43 2pzz h ASN 25 N 0.00 0.00 0.00 -0.43 2.35 -1.23 0.25 115.58 116.52 2pzz h ASN 25 Ca 0.11 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.51 2pzz h ASN 25 Cb 0.54 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.85 2pzz h ASN 25 CO -0.00 0.09 -2.35 -0.38 -1.65 0.00 0.00 177.43 173.15 2pzz n ILE 26 N -3.88 1.36 -3.55 2.81 2.08 -0.21 -4.75 119.36 113.21 2pzz n ILE 26 Ca -0.02 -0.54 -0.27 0.00 0.56 0.00 0.00 62.75 62.48 2pzz n ILE 26 Cb 0.19 -1.28 -0.10 0.00 -0.75 0.00 0.00 39.64 37.70 2pzz n ILE 26 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2pzz n PHE 27 N -3.16 2.08 0.04 1.39 3.72 0.31 -3.34 117.46 118.50 2pzz n PHE 27 Ca -0.41 -3.97 0.20 0.00 -0.05 0.00 0.00 57.45 53.22 2pzz n PHE 27 Cb 0.96 -0.40 0.72 0.00 -0.94 0.00 0.00 39.48 39.82 2pzz n PHE 27 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2pzz h PRO 28 N 4.84 0.00 -0.20 -1.08 0.11 -1.18 -2.26 132.00 132.23 2pzz h PRO 28 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2pzz h PRO 28 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2pzz h PRO 28 CO 0.65 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.07 2pzz n LYS 29 N -4.15 2.22 -1.92 1.05 5.02 -1.26 -4.97 118.16 114.14 2pzz n LYS 29 Ca 0.08 -1.81 -0.41 0.00 -2.02 0.00 0.00 58.31 54.15 2pzz n LYS 29 Cb 0.58 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 2pzz n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pzz s ALA 30 N -1.76 3.57 -0.31 7.82 0.00 -0.85 -4.81 121.76 125.41 2pzz s ALA 30 Ca 0.34 1.45 -0.16 0.00 0.00 0.00 0.00 51.96 53.60 2pzz s ALA 30 Cb 0.21 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2pzz s ALA 30 CO 0.30 -0.89 0.40 0.15 0.00 0.00 0.00 175.76 175.73 2pzz s LYS 31 N -1.73 3.78 0.14 0.00 3.01 -0.34 -4.91 119.74 119.70 2pzz s LYS 31 Ca 0.53 -0.15 0.06 0.00 -1.01 0.00 0.00 55.97 55.40 2pzz s LYS 31 Cb -0.44 -3.74 -0.04 0.00 -1.01 0.00 0.00 37.83 32.60 2pzz s LYS 31 CO 0.57 -0.44 0.00 -0.51 0.51 0.00 0.00 175.35 175.49 2pzz s LEU 32 N 2.13 3.38 -0.02 3.17 1.43 -1.26 -2.50 118.68 125.01 2pzz s LEU 32 Ca 0.15 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2pzz s LEU 32 Cb -0.16 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2pzz s LEU 32 CO 0.11 0.12 0.01 0.42 0.23 0.00 0.00 176.35 177.24 2pzz s THR 33 N -1.57 0.07 -0.22 5.49 -4.23 -0.20 -5.00 115.64 109.99 2pzz s THR 33 Ca 0.27 0.09 -0.15 0.00 -1.18 0.00 0.00 61.69 60.72 2pzz s THR 33 Cb -0.10 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 2pzz s THR 33 CO 0.19 0.09 0.35 0.12 -0.54 0.00 0.00 174.62 174.83 2pzz s PHE 34 N 0.71 3.35 -0.25 3.99 5.36 -1.26 -1.66 117.98 128.22 2pzz s PHE 34 Ca -0.06 0.52 -0.04 0.00 -0.96 0.00 0.00 56.93 56.39 2pzz s PHE 34 Cb -0.09 -2.48 0.00 0.00 -0.34 0.00 0.00 43.02 40.10 2pzz s PHE 34 CO -0.02 -0.02 -0.01 0.96 -1.46 0.00 0.00 175.22 174.67 2pzz s ILE 35 N 1.35 3.47 0.28 3.12 -4.36 0.81 -4.96 121.20 120.91 2pzz s ILE 35 Ca 0.16 -0.63 -0.28 0.00 -0.26 0.00 0.00 60.65 59.64 2pzz s ILE 35 Cb -0.15 -2.67 -0.09 0.00 1.25 0.00 0.00 42.46 40.80 2pzz s ILE 35 CO 0.07 0.29 0.99 -1.61 0.24 0.00 0.00 174.94 174.92 2pzz s GLU 36 N 1.46 4.69 0.02 0.37 2.02 -1.26 -0.86 118.70 125.14 2pzz s GLU 36 Ca 0.04 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.56 2pzz s GLU 36 Cb -0.15 -3.09 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 2pzz s GLU 36 CO -0.02 0.34 0.00 1.63 0.02 0.00 0.00 175.26 177.23 2pzz n LYS 37 N 1.08 1.37 -1.54 1.61 5.02 0.10 -4.95 118.16 120.86 2pzz n LYS 37 Ca -0.00 -0.16 -0.30 0.00 -2.02 0.00 0.00 58.31 55.83 2pzz n LYS 37 Cb 0.47 0.06 0.09 0.00 -0.02 0.00 0.00 35.03 35.63 2pzz n LYS 37 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pzz s ASP 38 N -1.11 4.59 -1.07 4.39 1.01 -1.26 -4.02 116.67 119.20 2pzz s ASP 38 Ca 0.01 1.37 -0.06 0.00 0.71 0.00 0.00 52.55 54.58 2pzz s ASP 38 Cb 0.00 -2.13 0.05 0.00 1.01 0.00 0.00 42.92 41.85 2pzz s ASP 38 CO 0.00 -1.91 0.29 0.59 0.21 0.00 0.00 175.17 174.34 2pzz n ASN 39 N -3.40 -3.34 0.00 0.27 5.03 -1.26 -0.99 115.26 111.57 2pzz n ASN 39 Ca 0.07 -0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.39 2pzz n ASN 39 Cb 0.56 -2.82 0.00 0.00 -1.02 0.00 0.00 39.78 36.50 2pzz n ASN 39 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2pzz n GLU 40 N -3.31 0.00 -1.73 3.52 -0.58 -1.26 -4.78 120.64 112.51 2pzz n GLU 40 Ca -0.05 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.37 2pzz n GLU 40 Cb 0.55 -2.65 0.05 0.00 -0.57 0.00 0.00 31.44 28.82 2pzz n GLU 40 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2pzz s PHE 41 N -3.32 2.70 0.31 -0.32 0.40 -0.16 -4.09 117.98 113.50 2pzz s PHE 41 Ca 0.00 1.54 -0.07 0.00 -0.60 0.00 0.00 56.93 57.80 2pzz s PHE 41 Cb 0.00 -3.11 0.00 0.00 0.51 0.00 0.00 43.02 40.42 2pzz s PHE 41 CO 0.00 -1.59 0.48 0.20 0.70 0.00 0.00 175.22 175.01 2pzz s GLY 42 N -2.78 1.08 -0.21 4.36 0.00 -0.34 -0.72 107.32 108.71 2pzz s GLY 42 Ca 0.65 -1.26 -0.23 0.00 0.00 0.00 0.00 44.72 43.88 2pzz s GLY 42 CO 0.43 -0.85 0.63 1.85 0.00 0.00 0.00 173.10 175.17 2pzz s GLU 43 N -3.38 0.78 -0.13 2.90 2.12 -0.04 -0.26 118.70 120.69 2pzz s GLU 43 Ca 0.27 0.77 -0.09 0.00 0.36 0.00 0.00 54.97 56.28 2pzz s GLU 43 Cb -0.00 0.38 -0.05 0.00 0.26 0.00 0.00 34.13 34.72 2pzz s GLU 43 CO 0.15 -0.12 0.19 -1.58 -0.54 0.00 0.00 175.26 173.36 2pzz s TRP 44 N 0.08 3.55 -0.02 5.30 0.52 0.11 -0.13 118.94 128.36 2pzz s TRP 44 Ca -0.02 0.54 0.04 0.00 0.02 0.00 0.00 56.10 56.68 2pzz s TRP 44 Cb -0.04 -2.08 -0.01 0.00 -1.15 0.00 0.00 33.47 30.20 2pzz s TRP 44 CO 0.02 0.57 -0.13 -1.21 0.02 0.00 0.00 176.95 176.22 2pzz s GLU 45 N -0.54 1.19 0.25 4.98 2.02 -0.67 -1.53 118.70 124.40 2pzz s GLU 45 Ca 0.15 -0.47 -0.22 0.00 0.02 0.00 0.00 54.97 54.45 2pzz s GLU 45 Cb -0.12 -1.12 0.03 0.00 0.10 0.00 0.00 34.13 33.02 2pzz s GLU 45 CO 0.04 0.25 0.76 0.20 0.02 0.00 0.00 175.26 176.53 2pzz s GLY 46 N -0.16 -0.14 0.03 -1.39 0.00 0.32 -1.03 107.32 104.95 2pzz s GLY 46 Ca 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 44.72 44.47 2pzz s GLY 46 CO 0.00 -0.06 0.16 0.54 0.00 0.00 0.00 173.10 173.74 2pzz s LYS 47 N -3.79 0.61 0.03 2.90 1.02 -1.04 0.69 119.74 120.15 2pzz s LYS 47 Ca 0.11 -0.58 -0.16 0.00 0.02 0.00 0.00 55.97 55.35 2pzz s LYS 47 Cb -0.05 0.25 0.03 0.00 -0.52 0.00 0.00 37.83 37.54 2pzz s LYS 47 CO 0.05 -0.16 0.36 -0.08 -0.92 0.00 0.00 175.35 174.60 2pzz s THR 48 N -2.20 0.06 -2.82 2.17 -1.32 -0.94 -1.19 115.64 109.40 2pzz s THR 48 Ca -0.08 -0.53 0.23 0.00 -1.21 0.00 0.00 61.69 60.09 2pzz s THR 48 Cb -0.03 -0.88 0.20 0.00 -1.51 0.00 0.00 72.50 70.28 2pzz s THR 48 CO -0.02 -0.29 1.23 0.29 -2.21 0.00 0.00 174.62 173.62 2pzz n LYS 49 N 0.71 2.19 -5.18 7.08 4.76 -1.26 -0.75 118.16 125.70 2pzz n LYS 49 Ca -0.19 -1.89 -0.30 0.00 -2.87 0.00 0.00 58.31 53.06 2pzz n LYS 49 Cb 0.59 -1.44 -0.16 0.00 -1.84 0.00 0.00 35.03 32.17 2pzz n LYS 49 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2pzz s SER 50 N -1.87 2.88 -0.12 4.39 0.15 -1.26 -4.85 113.70 113.02 2pzz s SER 50 Ca 0.27 -0.48 0.16 0.00 0.70 0.00 0.00 55.95 56.61 2pzz s SER 50 Cb 0.19 -0.80 0.28 0.00 -1.71 0.00 0.00 66.02 63.99 2pzz s SER 50 CO 0.29 0.22 1.16 1.33 1.20 0.00 0.00 173.24 177.45 2pzz n VAL 51 N 2.99 1.81 -0.12 4.45 0.24 -1.26 -4.78 118.33 121.67 2pzz n VAL 51 Ca -0.18 -2.05 -0.05 0.00 -2.04 0.00 0.00 64.34 60.03 2pzz n VAL 51 Cb 0.52 -0.14 0.01 0.00 -1.47 0.00 0.00 33.84 32.77 2pzz n VAL 51 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2pzz h GLU 52 N 0.24 -0.04 -0.35 7.34 5.08 -1.93 -0.67 114.58 124.26 2pzz h GLU 52 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2pzz h GLU 52 Cb 0.98 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2pzz h GLU 52 CO 0.03 -0.03 0.12 -0.22 -1.00 0.00 0.00 179.01 177.91 2pzz h LYS 53 N -0.04 0.53 -0.39 2.33 1.63 -1.86 -1.93 116.57 116.83 2pzz h LYS 53 Ca 0.19 -0.11 0.07 0.00 -0.85 0.00 0.00 60.65 59.96 2pzz h LYS 53 Cb 0.33 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.82 2pzz h LYS 53 CO -0.43 0.54 -0.01 1.25 -3.45 0.00 0.00 179.45 177.34 2pzz h LEU 54 N 0.41 -0.19 -0.17 5.20 5.85 -1.40 -0.87 115.31 124.14 2pzz h LEU 54 Ca 0.11 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.94 2pzz h LEU 54 Cb 0.22 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2pzz h LEU 54 CO -0.01 -0.06 0.09 0.11 -0.34 0.00 0.00 178.44 178.24 2pzz h LYS 55 N 0.09 0.18 -0.40 1.25 1.57 -0.95 -1.97 116.57 116.35 2pzz h LYS 55 Ca 0.19 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.04 2pzz h LYS 55 Cb 0.28 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 2pzz h LYS 55 CO -0.33 0.12 -0.08 0.93 -0.57 0.00 0.00 179.45 179.52 2pzz h GLU 56 N 0.19 0.02 -0.73 3.15 5.08 -0.73 -2.31 114.58 119.25 2pzz h GLU 56 Ca 0.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2pzz h GLU 56 Cb 0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2pzz h GLU 56 CO -0.04 0.01 0.35 -0.07 -1.00 0.00 0.00 179.01 178.27 2pzz h LEU 57 N 0.02 0.95 -0.56 1.33 3.38 -0.88 0.03 115.31 119.57 2pzz h LEU 57 Ca 0.19 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2pzz h LEU 57 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2pzz h LEU 57 CO -0.39 0.80 0.23 -0.07 0.09 0.00 0.00 178.44 179.11 2pzz h LEU 58 N 1.04 0.77 -0.17 1.67 3.38 -0.83 0.27 115.31 121.43 2pzz h LEU 58 Ca 0.25 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2pzz h LEU 58 Cb 0.10 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2pzz h LEU 58 CO -0.03 0.72 -0.12 0.03 0.09 0.00 0.00 178.44 179.13 2pzz h ARG 59 N 0.77 0.39 -0.27 1.13 3.08 -1.24 -0.18 114.38 118.05 2pzz h ARG 59 Ca 0.19 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2pzz h ARG 59 Cb 0.18 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 2pzz h ARG 59 CO -0.02 0.72 -0.02 0.77 -1.07 0.00 0.00 179.97 180.36 2pzz h SER 60 N 0.06 -0.14 0.55 7.04 0.02 -0.83 -0.45 113.55 119.80 2pzz h SER 60 Ca 0.03 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2pzz h SER 60 Cb 0.62 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2pzz h SER 60 CO 0.03 -0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.68 2pzz n GLN 61 N -5.18 0.42 -3.57 3.45 6.02 0.07 -4.93 117.38 113.67 2pzz n GLN 61 Ca -0.01 0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.79 2pzz n GLN 61 Cb 0.15 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.96 2pzz n GLN 61 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2pzz n SER 62 N -1.28 -2.77 -1.08 1.08 2.88 -0.18 -4.93 113.62 107.34 2pzz n SER 62 Ca 0.14 -0.78 0.03 0.00 -1.33 0.00 0.00 58.87 56.93 2pzz n SER 62 Cb 0.23 -4.39 0.13 0.00 -0.75 0.00 0.00 64.21 59.43 2pzz n SER 62 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2pzz n ILE 63 N -4.06 1.42 -0.29 2.46 -5.35 -0.24 -4.81 119.36 108.49 2pzz n ILE 63 Ca -0.23 -2.50 0.01 0.00 -0.27 0.00 0.00 62.75 59.76 2pzz n ILE 63 Cb 0.66 0.20 0.21 0.00 -1.74 0.00 0.00 39.64 38.97 2pzz n ILE 63 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2pzz h LEU 64 N 1.12 0.96 0.29 7.28 3.38 -1.92 -1.22 115.31 125.20 2pzz h LEU 64 Ca -0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2pzz h LEU 64 Cb 1.36 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2pzz h LEU 64 CO 0.08 0.67 -0.50 -2.24 0.09 0.00 0.00 178.44 176.54 2pzz h ASP 65 N 1.12 -1.44 0.85 -0.43 2.03 -1.89 -0.13 116.42 116.52 2pzz h ASP 65 Ca 0.34 0.14 -0.08 0.00 -0.73 0.00 0.00 57.03 56.70 2pzz h ASP 65 Cb -0.02 0.51 -0.01 0.00 -0.83 0.00 0.00 39.33 38.98 2pzz h ASP 65 CO -0.09 -0.59 -0.39 0.00 -1.03 0.00 0.00 179.24 177.14 2pzz h ALA 66 N -0.61 0.99 0.00 4.15 0.00 -1.92 -2.78 119.26 119.09 2pzz h ALA 66 Ca -0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 2pzz h ALA 66 Cb 0.80 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pzz h ALA 66 CO -0.18 0.48 -0.49 0.00 0.00 0.00 0.00 179.25 179.06 2pzz h ALA 67 N 1.61 0.93 0.00 0.00 0.00 -0.99 -1.97 119.26 118.84 2pzz h ALA 67 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2pzz h ALA 67 Cb 0.91 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2pzz h ALA 67 CO 0.05 0.61 0.00 0.54 0.00 0.00 0.00 179.25 180.45 2pzz n ARG 68 N -3.58 0.40 0.00 0.00 5.12 -0.08 -1.65 116.66 116.87 2pzz n ARG 68 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2pzz n ARG 68 Cb 0.58 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 2pzz n ARG 68 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2pzz n VAL 70 N 0.05 0.00 -0.26 1.55 0.31 -0.74 -1.48 118.33 117.76 2pzz n VAL 70 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2pzz n VAL 70 Cb 0.07 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.05 2pzz n VAL 70 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2pzz h LEU 71 N 0.00 1.04 -0.47 7.52 3.38 -1.58 -2.31 115.31 122.89 2pzz h LEU 71 Ca 0.00 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 2pzz h LEU 71 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2pzz h LEU 71 CO 0.00 0.98 -0.48 -0.33 0.09 0.00 0.00 178.44 178.70 2pzz h GLU 72 N 1.05 0.73 -0.79 1.13 5.08 -1.51 -3.14 114.58 117.13 2pzz h GLU 72 Ca 0.23 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2pzz h GLU 72 Cb 0.31 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2pzz h GLU 72 CO -0.01 1.04 0.45 -0.22 -1.00 0.00 0.00 179.01 179.27 2pzz h LYS 73 N 0.58 1.09 -5.24 2.33 3.64 -1.74 -3.45 116.57 113.77 2pzz h LYS 73 Ca 0.03 -0.12 -0.70 0.00 -1.27 0.00 0.00 60.65 58.60 2pzz h LYS 73 Cb 1.04 -0.22 -0.14 0.00 -0.41 0.00 0.00 32.23 32.50 2pzz h LYS 73 CO 0.10 0.79 1.46 0.20 -2.27 0.00 0.00 179.45 179.73 2pzz s GLY 74 N -3.09 1.98 0.00 5.01 0.00 -0.89 -5.05 107.32 105.29 2pzz s GLY 74 Ca -0.13 -2.99 0.00 0.00 0.00 0.00 0.00 44.72 41.60 2pzz s GLY 74 CO 0.80 2.28 0.00 -1.30 0.00 0.00 0.00 173.10 174.88 2pzz n THR 76 N 5.50 0.00 -0.16 0.90 -2.24 0.19 -3.16 114.28 115.31 2pzz n THR 76 Ca 0.36 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.12 2pzz n THR 76 Cb 0.46 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.76 2pzz n THR 76 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2pzz h GLU 77 N 0.00 0.27 -0.09 -0.78 4.22 -2.03 -3.33 114.58 112.84 2pzz h GLU 77 Ca 0.00 -0.02 -0.19 0.00 0.08 0.00 0.00 59.36 59.23 2pzz h GLU 77 Cb 0.00 -0.06 -0.38 0.00 0.50 0.00 0.00 28.75 28.81 2pzz h GLU 77 CO 0.00 0.18 -1.02 0.27 -2.18 0.00 0.00 179.01 176.26 2pzz n ASN 78 N -5.07 1.02 -3.64 1.04 6.94 -1.26 -4.74 115.26 109.54 2pzz n ASN 78 Ca 0.05 -2.01 -0.00 0.00 -0.02 0.00 0.00 54.58 52.61 2pzz n ASN 78 Cb 0.23 -0.31 -0.00 0.00 -2.36 0.00 0.00 39.78 37.34 2pzz n ASN 78 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pzz s ALA 79 N -0.84 -2.04 0.02 -2.53 0.00 -1.25 -1.78 121.76 113.34 2pzz s ALA 79 Ca 0.31 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 2pzz s ALA 79 Cb 0.36 0.58 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2pzz s ALA 79 CO -0.13 -1.07 0.18 -0.08 0.00 0.00 0.00 175.76 174.66 2pzz s THR 80 N -2.52 0.09 0.03 0.00 -1.32 -0.31 0.54 115.64 112.16 2pzz s THR 80 Ca 0.17 -0.77 -0.03 0.00 -1.21 0.00 0.00 61.69 59.86 2pzz s THR 80 Cb 0.01 -0.67 -0.02 0.00 -1.51 0.00 0.00 72.50 70.32 2pzz s THR 80 CO -0.00 -0.42 0.02 -1.59 -2.21 0.00 0.00 174.62 170.42 2pzz s LYS 81 N -1.90 0.48 0.24 7.08 -2.85 -1.19 -0.46 119.74 121.14 2pzz s LYS 81 Ca -0.10 -0.77 -0.21 0.00 -1.00 0.00 0.00 55.97 53.88 2pzz s LYS 81 Cb -0.04 0.18 0.06 0.00 -2.06 0.00 0.00 37.83 35.96 2pzz s LYS 81 CO -0.00 -0.10 0.91 -0.59 0.10 0.00 0.00 175.35 175.67 2pzz s PHE 82 N -2.36 -0.01 0.03 1.78 -0.12 -0.47 -4.39 117.98 112.44 2pzz s PHE 82 Ca -0.07 -0.45 0.08 0.00 -0.05 0.00 0.00 56.93 56.44 2pzz s PHE 82 Cb -0.03 0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 43.05 2pzz s PHE 82 CO -0.04 -1.11 -0.22 0.71 -0.05 0.00 0.00 175.22 174.51 2pzz s TYR 83 N -2.76 2.46 -0.12 3.49 2.02 -1.26 -0.66 117.35 120.51 2pzz s TYR 83 Ca 0.16 -0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2pzz s TYR 83 Cb -0.03 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 2pzz s TYR 83 CO 0.06 0.17 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.66 2pzz s LEU 84 N -1.22 3.25 0.16 -1.29 1.43 0.14 -4.48 118.68 116.68 2pzz s LEU 84 Ca 0.13 -0.07 -0.32 0.00 -1.03 0.00 0.00 54.13 52.83 2pzz s LEU 84 Cb -0.10 -1.76 -0.12 0.00 0.03 0.00 0.00 46.19 44.24 2pzz s LEU 84 CO 0.03 0.25 1.73 -3.20 0.23 0.00 0.00 176.35 175.39 2pzz n ASN 85 N 3.00 3.82 -0.11 2.29 2.85 0.28 -0.30 115.26 127.09 2pzz n ASN 85 Ca -0.18 1.04 -0.13 0.00 -0.11 0.00 0.00 54.58 55.20 2pzz n ASN 85 Cb 0.53 -1.53 -0.03 0.00 1.24 0.00 0.00 39.78 39.99 2pzz n ASN 85 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2pzz h LYS 86 N 7.20 0.86 -0.10 1.20 3.64 -1.88 -2.48 116.57 125.01 2pzz h LYS 86 Ca -0.45 -0.46 -0.18 0.00 -1.27 0.00 0.00 60.65 58.30 2pzz h LYS 86 Cb 1.22 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2pzz h LYS 86 CO 0.94 1.10 -0.69 1.96 -2.27 0.00 0.00 179.45 180.49 2pzz h GLN 87 N 0.65 0.43 -0.42 1.90 1.08 -1.96 -2.00 115.11 114.79 2pzz h GLN 87 Ca 0.05 -0.33 -0.08 0.00 -1.45 0.00 0.00 58.65 56.84 2pzz h GLN 87 Cb 0.95 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 2pzz h GLN 87 CO 0.09 0.96 -0.06 0.00 -0.95 0.00 0.00 178.83 178.87 2pzz h ALA 88 N 0.95 0.57 -0.11 3.87 0.00 -1.83 -2.57 119.26 120.15 2pzz h ALA 88 Ca -0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2pzz h ALA 88 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2pzz h ALA 88 CO 0.12 0.42 -0.18 0.00 0.00 0.00 0.00 179.25 179.61 2pzz h ALA 89 N 0.87 1.50 -0.24 0.00 0.00 -0.88 0.13 119.26 120.65 2pzz h ALA 89 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2pzz h ALA 89 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2pzz h ALA 89 CO 0.03 0.36 0.16 -0.92 0.00 0.00 0.00 179.25 178.88 2pzz h TYR 90 N 0.17 0.29 -0.59 0.00 3.20 -0.94 -0.05 116.97 119.05 2pzz h TYR 90 Ca 0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2pzz h TYR 90 Cb 0.42 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.59 2pzz h TYR 90 CO 0.00 0.18 0.00 1.33 -1.64 0.00 0.00 178.16 178.04 2pzz n VAL 91 N -4.50 2.60 -1.00 1.81 0.24 -0.85 -4.75 118.33 111.89 2pzz n VAL 91 Ca 0.01 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 2pzz n VAL 91 Cb 0.08 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 2pzz n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pzz n GLY 92 N 0.72 0.53 3.76 7.63 0.00 -0.03 -5.04 105.19 112.76 2pzz n GLY 92 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 2pzz n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pzz s ALA 93 N -2.17 3.52 -0.17 4.61 0.00 0.41 -4.95 121.76 123.02 2pzz s ALA 93 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 2pzz s ALA 93 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2pzz s ALA 93 CO 0.00 0.73 0.31 0.08 0.00 0.00 0.00 175.76 176.88 2pzz s VAL 94 N -1.32 5.29 -0.09 0.00 1.01 -1.26 -1.84 120.40 122.18 2pzz s VAL 94 Ca 0.27 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.77 2pzz s VAL 94 Cb -0.12 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.66 2pzz s VAL 94 CO 0.19 0.36 0.21 0.21 0.00 0.00 0.00 175.10 176.07 2pzz s ASN 95 N 0.63 -0.10 0.00 3.32 3.84 -1.26 -5.01 114.94 116.35 2pzz s ASN 95 Ca 0.17 0.46 0.26 0.00 0.21 0.00 0.00 52.86 53.95 2pzz s ASN 95 Cb -0.13 0.36 1.04 0.00 -0.55 0.00 0.00 41.25 41.97 2pzz s ASN 95 CO 0.05 -0.17 1.73 0.49 -2.79 0.00 0.00 177.10 176.40 2pzz n PHE 96 N 4.39 0.07 -3.18 0.43 3.72 -1.26 0.10 117.46 121.73 2pzz n PHE 96 Ca -0.23 -0.03 -0.40 0.00 -0.05 0.00 0.00 57.45 56.74 2pzz n PHE 96 Cb 0.52 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.99 2pzz n PHE 96 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2pzz s ASP 97 N -1.84 6.55 0.19 4.37 3.68 -1.26 -4.71 116.67 123.65 2pzz s ASP 97 Ca 0.37 0.66 -0.33 0.00 2.13 0.00 0.00 52.55 55.38 2pzz s ASP 97 Cb 0.19 -2.31 -0.14 0.00 -1.45 0.00 0.00 42.92 39.22 2pzz s ASP 97 CO 0.31 -0.29 1.52 -0.38 0.13 0.00 0.00 175.17 176.46 2pzz n ILE 98 N 4.97 0.32 -2.02 4.11 5.41 -1.26 -3.68 119.36 127.21 2pzz n ILE 98 Ca -0.03 -0.08 -0.29 0.00 1.00 0.00 0.00 62.75 63.35 2pzz n ILE 98 Cb 0.50 -1.50 0.18 0.00 -0.71 0.00 0.00 39.64 38.11 2pzz n ILE 98 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 2pzz s ASP 99 N 0.69 3.15 0.00 4.38 -4.77 -1.26 -4.93 116.67 113.93 2pzz s ASP 99 Ca 0.75 0.14 0.13 0.00 -3.30 0.00 0.00 52.55 50.28 2pzz s ASP 99 Cb -0.67 -0.19 0.67 0.00 -1.09 0.00 0.00 42.92 41.64 2pzz s ASP 99 CO 0.42 -2.70 1.32 0.35 0.70 0.00 0.00 175.17 175.27 2pzz n THR 100 N -3.69 0.59 -1.25 2.11 -2.24 -1.26 -3.08 114.28 105.45 2pzz n THR 100 Ca 0.16 0.15 0.05 0.00 -2.27 0.00 0.00 64.05 62.14 2pzz n THR 100 Cb 0.59 -0.93 0.20 0.00 -2.10 0.00 0.00 70.33 68.09 2pzz n THR 100 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2pzz n HIS 101 N -1.26 0.56 -0.01 4.78 8.25 -1.26 -4.99 115.22 121.29 2pzz n HIS 101 Ca 0.06 -1.23 0.00 0.00 -0.26 0.00 0.00 57.72 56.30 2pzz n HIS 101 Cb 0.10 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.90 2pzz n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pzz n GLY 102 N -1.05 0.66 2.25 -1.41 0.00 -1.18 -4.84 105.19 99.63 2pzz n GLY 102 Ca 0.23 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.39 2pzz n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pzz n GLY 103 N -2.00 -1.44 3.34 -0.02 0.00 -1.26 -4.73 105.19 99.08 2pzz n GLY 103 Ca 0.00 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 2pzz n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pzz s ILE 104 N -1.67 3.56 -0.14 -0.61 1.01 0.59 -4.49 121.20 119.45 2pzz s ILE 104 Ca 0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 2pzz s ILE 104 Cb 0.00 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 2pzz s ILE 104 CO 0.00 0.41 0.89 0.12 0.00 0.00 0.00 174.94 176.36 2pzz s PHE 105 N 1.50 3.47 -0.07 3.97 5.36 0.56 0.26 117.98 133.02 2pzz s PHE 105 Ca 0.06 1.39 0.03 0.00 -0.96 0.00 0.00 56.93 57.45 2pzz s PHE 105 Cb -0.14 -3.07 0.01 0.00 -0.34 0.00 0.00 43.02 39.47 2pzz s PHE 105 CO -0.02 -0.21 -0.17 0.08 -1.46 0.00 0.00 175.22 173.44 2pzz s VAL 106 N 2.01 1.46 -0.17 3.12 1.01 0.16 -1.75 120.40 126.25 2pzz s VAL 106 Ca 0.42 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2pzz s VAL 106 Cb -0.17 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 34.95 2pzz s VAL 106 CO 0.15 0.43 -0.09 -0.75 0.00 0.00 0.00 175.10 174.84 2pzz s LYS 107 N 0.50 1.80 -0.25 2.72 2.20 -0.33 -1.37 119.74 125.00 2pzz s LYS 107 Ca -0.15 -0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 54.71 2pzz s LYS 107 Cb -0.16 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.98 2pzz s LYS 107 CO 0.05 -0.39 0.29 0.42 -0.36 0.00 0.00 175.35 175.37 2pzz s ILE 108 N 1.53 5.25 -0.27 5.43 1.01 0.39 -0.78 121.20 133.75 2pzz s ILE 108 Ca 0.01 0.42 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 2pzz s ILE 108 Cb -0.15 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.73 2pzz s ILE 108 CO -0.08 0.23 -0.01 -0.22 0.00 0.00 0.00 174.94 174.86 2pzz s LEU 109 N 1.67 3.53 0.45 2.97 2.96 -0.27 -1.16 118.68 128.83 2pzz s LEU 109 Ca 0.12 -0.95 -0.23 0.00 -0.22 0.00 0.00 54.13 52.85 2pzz s LEU 109 Cb -0.15 -1.72 -0.08 0.00 0.50 0.00 0.00 46.19 44.74 2pzz s LEU 109 CO 0.09 -0.18 1.14 0.00 -1.32 0.00 0.00 176.35 176.08 2pzz s ALA 110 N 1.34 2.99 0.97 5.97 0.00 -0.73 -1.98 121.76 130.32 2pzz s ALA 110 Ca -0.01 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.70 2pzz s ALA 110 Cb -0.18 -3.36 0.18 0.00 0.00 0.00 0.00 23.12 19.76 2pzz s ALA 110 CO -0.02 -0.58 1.18 0.34 0.00 0.00 0.00 175.76 176.68 2pzz s ASP 111 N -1.41 2.97 0.40 0.00 -1.08 -1.26 -4.88 116.67 111.41 2pzz s ASP 111 Ca 0.63 0.73 0.09 0.00 -0.52 0.00 0.00 52.55 53.48 2pzz s ASP 111 Cb -0.27 -1.12 0.84 0.00 -1.46 0.00 0.00 42.92 40.91 2pzz s ASP 111 CO 0.33 -2.86 1.97 -0.33 0.52 0.00 0.00 175.17 174.80 2pzz h GLU 112 N -1.72 0.32 -0.86 4.34 5.08 -1.98 -1.83 114.58 117.92 2pzz h GLU 112 Ca -0.48 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 57.65 2pzz h GLU 112 Cb 1.30 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.39 2pzz h GLU 112 CO 0.51 0.35 0.23 0.27 -1.00 0.00 0.00 179.01 179.37 2pzz n ASN 113 N -4.36 3.87 -4.28 1.42 2.04 -1.26 -4.90 115.26 107.79 2pzz n ASN 113 Ca 0.00 -2.86 -0.19 0.00 -0.44 0.00 0.00 54.58 51.09 2pzz n ASN 113 Cb 0.19 -0.68 -0.11 0.00 -2.53 0.00 0.00 39.78 36.65 2pzz n ASN 113 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2pzz s GLU 114 N -2.22 1.12 -0.27 -3.83 2.02 -0.69 -5.13 118.70 109.71 2pzz s GLU 114 Ca 0.38 -1.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 2pzz s GLU 114 Cb 0.30 -1.03 0.02 0.00 0.10 0.00 0.00 34.13 33.52 2pzz s GLU 114 CO 0.09 0.20 0.01 0.34 0.02 0.00 0.00 175.26 175.92 2pzz s ASP 115 N -2.62 4.73 0.00 -0.19 -1.08 -1.26 -4.69 116.67 111.55 2pzz s ASP 115 Ca 0.12 -0.76 0.00 0.00 -0.52 0.00 0.00 52.55 51.39 2pzz s ASP 115 Cb -0.04 -1.78 0.00 0.00 -1.46 0.00 0.00 42.92 39.64 2pzz s ASP 115 CO 0.04 -0.15 0.00 0.00 0.52 0.00 0.00 175.17 175.58 2pzz n ILE 116 N 4.77 0.00 0.00 4.11 0.00 -1.26 -1.69 119.36 125.29 2pzz n ILE 116 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.59 2pzz n ILE 116 Cb 0.48 -0.48 0.00 0.00 0.00 0.00 0.00 39.64 39.64 2pzz n ILE 116 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2pzz n LYS 118 N 1.12 0.00 -0.14 9.51 5.02 -1.26 -1.47 118.16 130.95 2pzz n LYS 118 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2pzz n LYS 118 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2pzz n LYS 118 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2pzz h ILE 119 N 0.00 1.15 -0.49 -0.18 1.08 -1.76 -0.97 117.51 116.34 2pzz h ILE 119 Ca 0.00 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 64.13 2pzz h ILE 119 Cb 0.00 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 2pzz h ILE 119 CO 0.00 0.15 0.30 0.40 -0.69 0.00 0.00 178.15 178.31 2pzz h ILE 120 N 0.55 1.07 -0.17 -0.67 1.08 -1.53 -0.87 117.51 116.98 2pzz h ILE 120 Ca 0.15 -0.21 -0.08 0.00 -0.39 0.00 0.00 64.86 64.33 2pzz h ILE 120 Cb 0.03 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 2pzz h ILE 120 CO -0.03 0.11 -0.24 0.11 -0.69 0.00 0.00 178.15 177.41 2pzz h LYS 121 N 0.61 0.30 0.00 2.37 1.57 -1.77 -0.41 116.57 119.24 2pzz h LYS 121 Ca 0.19 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 2pzz h LYS 121 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2pzz h LYS 121 CO -0.07 0.53 -0.69 0.22 -0.57 0.00 0.00 179.45 178.87 2pzz h ASP 122 N 0.27 0.00 0.16 0.86 1.82 -0.71 -1.06 116.42 117.76 2pzz h ASP 122 Ca 0.04 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.45 2pzz h ASP 122 Cb 0.58 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.61 2pzz h ASP 122 CO 0.04 0.69 -1.07 0.40 -1.61 0.00 0.00 179.24 177.69 2pzz h ILE 123 N 0.00 1.37 -2.09 2.25 2.04 -0.81 -3.40 117.51 116.86 2pzz h ILE 123 Ca -0.01 -2.54 -0.57 0.00 1.00 0.00 0.00 64.86 62.74 2pzz h ILE 123 Cb 1.26 3.07 -0.40 0.00 -0.74 0.00 0.00 36.82 40.01 2pzz h ILE 123 CO 0.09 0.73 -0.88 0.00 0.00 0.00 0.00 178.15 178.10 2pzz n ALA 124 N -2.74 3.20 0.00 1.87 0.00 -0.19 -4.73 120.51 117.91 2pzz n ALA 124 Ca -0.17 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.24 2pzz n ALA 124 Cb 0.89 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2pzz n ALA 124 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20