#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pzx n ILE 2 N 0.00 1.49 -1.50 5.18 5.41 -1.26 -4.80 119.36 123.88 2pzx n ILE 2 Ca 0.00 -0.37 -0.49 0.00 1.00 0.00 0.00 62.75 62.89 2pzx n ILE 2 Cb 0.00 -0.54 -0.04 0.00 -0.71 0.00 0.00 39.64 38.35 2pzx n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pzx n LEU 3 N 1.73 0.21 -1.44 1.39 -0.00 -1.26 -2.82 117.00 114.81 2pzx n LEU 3 Ca 0.15 1.15 -0.02 0.00 -0.00 0.00 0.00 56.01 57.29 2pzx n LEU 3 Cb 0.25 -1.08 -0.00 0.00 -0.00 0.00 0.00 43.42 42.59 2pzx n LEU 3 CO 0.59 -2.11 -0.01 -0.62 -0.00 0.00 0.00 177.39 175.25 2pzx n GLU 4 N 1.19 -1.01 -4.76 1.47 1.02 -1.26 -4.83 120.64 112.47 2pzx n GLU 4 Ca 0.16 0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.98 2pzx n GLU 4 Cb 0.24 -0.26 -0.14 0.00 -0.02 0.00 0.00 31.44 31.25 2pzx n GLU 4 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pzx s ASP 6 N 0.39 6.36 0.00 0.00 2.15 -1.26 -4.79 116.67 119.52 2pzx s ASP 6 Ca -0.11 2.12 0.00 0.00 0.43 0.00 0.00 52.55 55.00 2pzx s ASP 6 Cb -0.16 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2pzx s ASP 6 CO 0.05 -0.77 0.88 0.00 -0.17 0.00 0.00 175.17 175.16 2pzx n TYR 7 N -0.53 0.00 0.00 -5.34 9.36 -1.26 -2.46 117.16 116.94 2pzx n TYR 7 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 2pzx n TYR 7 Cb 0.50 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 38.82 2pzx n TYR 7 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2pzx n PHE 8 N -1.93 0.00 -1.44 2.98 3.01 -1.26 0.46 117.46 119.27 2pzx n PHE 8 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 2pzx n PHE 8 Cb 0.00 -0.02 0.15 0.00 -0.01 0.00 0.00 39.48 39.60 2pzx n PHE 8 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2pzx n ASP 9 N -0.77 4.12 -4.36 4.37 10.43 -1.03 -4.97 116.55 124.34 2pzx n ASP 9 Ca 0.00 -3.74 -0.22 0.00 2.57 0.00 0.00 54.79 53.40 2pzx n ASP 9 Cb 0.22 -0.73 -0.10 0.00 1.84 0.00 0.00 41.12 42.35 2pzx n ASP 9 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pzx s THR 10 N -3.73 0.99 0.05 -3.53 -4.23 0.17 -3.59 115.64 101.76 2pzx s THR 10 Ca 0.53 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 2pzx s THR 10 Cb 0.45 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.65 2pzx s THR 10 CO 0.03 0.00 0.27 -0.69 -0.54 0.00 0.00 174.62 173.69 2pzx s VAL 11 N -3.30 0.09 -0.68 2.29 1.01 0.12 -4.89 120.40 115.05 2pzx s VAL 11 Ca 0.33 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 2pzx s VAL 11 Cb 0.07 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2pzx s VAL 11 CO 0.15 -0.42 1.48 -0.62 0.00 0.00 0.00 175.10 175.68 2pzx s ASP 12 N -2.13 5.88 -0.09 3.32 -1.08 -1.26 -0.02 116.67 121.28 2pzx s ASP 12 Ca -0.04 -0.11 0.19 0.00 -0.52 0.00 0.00 52.55 52.06 2pzx s ASP 12 Cb -0.01 -2.55 0.67 0.00 -1.46 0.00 0.00 42.92 39.58 2pzx s ASP 12 CO -0.04 -1.99 1.58 2.30 0.52 0.00 0.00 175.17 177.54 2pzx n ILE 13 N 6.70 1.66 0.00 4.11 -5.35 -0.98 -4.48 119.36 121.02 2pzx n ILE 13 Ca 0.10 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.39 2pzx n ILE 13 Cb 0.50 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 2pzx n ILE 13 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2pzx n SER 14 N 1.11 0.00 -0.12 7.28 3.41 -1.17 0.71 113.62 124.85 2pzx n SER 14 Ca 0.25 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.88 2pzx n SER 14 Cb 0.81 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2pzx n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pzx n ALA 15 N -0.90 2.57 -1.83 7.33 0.00 -1.26 -5.03 120.51 121.39 2pzx n ALA 15 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.77 2pzx n ALA 15 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.25 2pzx n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pzx s ALA 16 N -0.94 3.04 0.25 0.00 0.00 0.22 -5.00 121.76 119.32 2pzx s ALA 16 Ca 0.04 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 2pzx s ALA 16 Cb 0.04 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 2pzx s ALA 16 CO 0.13 -0.51 1.06 -0.65 0.00 0.00 0.00 175.76 175.80 2pzx s GLN 17 N -4.56 4.68 -0.44 0.00 1.11 0.37 -4.84 119.66 115.98 2pzx s GLN 17 Ca 0.58 1.72 -0.16 0.00 0.01 0.00 0.00 55.36 57.51 2pzx s GLN 17 Cb -0.11 -3.22 0.04 0.00 -1.01 0.00 0.00 33.01 28.71 2pzx s GLN 17 CO 0.42 0.26 0.39 0.21 0.01 0.00 0.00 175.29 176.57 2pzx s LYS 18 N -1.21 3.01 1.19 2.91 2.20 -1.26 0.13 119.74 126.71 2pzx s LYS 18 Ca 0.44 -1.08 -0.19 0.00 -0.36 0.00 0.00 55.97 54.78 2pzx s LYS 18 Cb -0.30 -4.04 0.28 0.00 -1.51 0.00 0.00 37.83 32.26 2pzx s LYS 18 CO 0.38 -0.91 1.11 -0.51 -0.36 0.00 0.00 175.35 175.07 2pzx s LEU 19 N 1.83 0.78 -0.06 5.43 1.43 -0.01 -4.96 118.68 123.12 2pzx s LEU 19 Ca 0.07 0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 53.60 2pzx s LEU 19 Cb -0.21 -2.41 -0.17 0.00 0.03 0.00 0.00 46.19 43.44 2pzx s LEU 19 CO 0.10 -4.05 0.84 1.56 0.23 0.00 0.00 176.35 175.02 2pzx h GLN 20 N -2.53 -0.15 -0.98 1.70 7.50 -1.98 -3.26 115.11 115.41 2pzx h GLN 20 Ca -0.45 0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.71 2pzx h GLN 20 Cb 1.29 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.86 2pzx h GLN 20 CO 0.35 0.34 0.00 0.27 -1.50 0.00 0.00 178.83 178.30 2pzx n ASN 21 N -4.86 0.85 0.00 1.46 0.23 -1.26 -4.75 115.26 106.92 2pzx n ASN 21 Ca -0.08 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.11 2pzx n ASN 21 Cb 0.28 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 2pzx n ASN 21 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pzx n GLY 22 N 0.53 1.68 3.47 4.83 0.00 -1.23 -4.89 105.19 109.58 2pzx n GLY 22 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2pzx n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pzx s SER 23 N 0.03 0.67 0.30 1.61 1.04 -1.26 -4.65 113.70 111.45 2pzx s SER 23 Ca 0.00 1.29 0.10 0.00 0.48 0.00 0.00 55.95 57.82 2pzx s SER 23 Cb 0.00 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 64.08 2pzx s SER 23 CO 0.00 -4.36 -0.04 -0.31 0.98 0.00 0.00 173.24 169.51 2pzx s TYR 24 N -2.50 2.53 -0.11 5.02 1.51 -0.62 -0.83 117.35 122.36 2pzx s TYR 24 Ca 0.68 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 56.43 2pzx s TYR 24 Cb -0.22 -1.28 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 2pzx s TYR 24 CO 0.63 0.58 -0.23 -1.17 -1.11 0.00 0.00 175.55 174.24 2pzx s LEU 25 N -3.65 2.07 -0.19 -1.29 2.96 0.35 -1.61 118.68 117.32 2pzx s LEU 25 Ca 0.33 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2pzx s LEU 25 Cb -0.03 -1.39 0.09 0.00 0.50 0.00 0.00 46.19 45.35 2pzx s LEU 25 CO 0.18 0.14 0.21 0.12 -1.32 0.00 0.00 176.35 175.68 2pzx s PHE 26 N 0.46 -0.25 -1.42 5.38 5.36 0.30 0.14 117.98 127.96 2pzx s PHE 26 Ca -0.16 0.27 -0.03 0.00 -0.96 0.00 0.00 56.93 56.05 2pzx s PHE 26 Cb -0.17 -0.35 0.02 0.00 -0.34 0.00 0.00 43.02 42.18 2pzx s PHE 26 CO 0.06 -0.55 0.58 0.39 -1.46 0.00 0.00 175.22 174.24 2pzx n GLU 27 N 5.32 -3.95 0.00 10.12 1.02 -1.26 0.58 120.64 132.47 2pzx n GLU 27 Ca -0.06 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2pzx n GLU 27 Cb 0.50 -4.85 0.00 0.00 -0.02 0.00 0.00 31.44 27.06 2pzx n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pzx n GLY 28 N -1.79 2.36 3.75 0.62 0.00 -1.26 -4.95 105.19 103.92 2pzx n GLY 28 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2pzx n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pzx s LEU 29 N 0.00 4.64 -0.43 0.99 2.96 0.19 -5.03 118.68 122.00 2pzx s LEU 29 Ca 0.00 1.97 -0.12 0.00 -0.22 0.00 0.00 54.13 55.75 2pzx s LEU 29 Cb 0.00 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.14 2pzx s LEU 29 CO 0.00 0.13 0.31 -0.22 -1.32 0.00 0.00 176.35 175.24 2pzx s LEU 30 N -1.15 5.26 -0.49 -0.68 2.96 -1.26 0.11 118.68 123.43 2pzx s LEU 30 Ca 0.42 -1.30 -0.23 0.00 -0.22 0.00 0.00 54.13 52.80 2pzx s LEU 30 Cb -0.26 -2.08 0.04 0.00 0.50 0.00 0.00 46.19 44.38 2pzx s LEU 30 CO 0.33 -0.55 0.80 -0.69 -1.32 0.00 0.00 176.35 174.92 2pzx s VAL 31 N 1.55 4.62 0.43 1.68 1.01 -0.64 -4.97 120.40 124.08 2pzx s VAL 31 Ca 0.03 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 2pzx s VAL 31 Cb -0.23 -4.38 -0.12 0.00 0.00 0.00 0.00 36.38 31.65 2pzx s VAL 31 CO 0.05 -0.85 0.60 -2.65 0.00 0.00 0.00 175.10 172.25 2pzx n PRO 32 N 6.83 0.66 -0.23 2.72 -0.02 -1.26 -1.59 135.00 142.11 2pzx n PRO 32 Ca 0.00 0.24 -0.03 0.00 -2.02 0.00 0.00 63.50 61.70 2pzx n PRO 32 Cb 0.47 -1.58 0.16 0.00 -0.02 0.00 0.00 33.50 32.54 2pzx n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pzx h ALA 33 N 0.86 1.24 0.00 3.55 0.00 -1.88 -2.79 119.26 120.24 2pzx h ALA 33 Ca -0.41 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2pzx h ALA 33 Cb 1.39 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2pzx h ALA 33 CO 0.52 0.58 -0.00 0.97 0.00 0.00 0.00 179.25 181.32 2pzx h ILE 34 N 1.04 0.04 -0.00 0.00 6.09 -1.94 -1.85 117.51 120.89 2pzx h ILE 34 Ca 0.26 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 2pzx h ILE 34 Cb 0.10 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.39 2pzx h ILE 34 CO -0.03 0.00 -0.68 0.18 -3.07 0.00 0.00 178.15 174.55 2pzx n LEU 35 N -3.14 1.11 -4.91 2.19 4.77 -1.05 -4.73 117.00 111.24 2pzx n LEU 35 Ca -0.03 -0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 55.26 2pzx n LEU 35 Cb 0.07 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2pzx n LEU 35 CO 0.21 0.24 0.59 0.42 -1.33 0.00 0.00 177.39 177.52 2pzx s THR 36 N -2.83 3.69 -0.23 -5.08 -4.23 -0.70 -3.39 115.64 102.87 2pzx s THR 36 Ca 0.13 0.15 -0.28 0.00 -1.18 0.00 0.00 61.69 60.50 2pzx s THR 36 Cb 0.17 -3.49 0.15 0.00 1.34 0.00 0.00 72.50 70.68 2pzx s THR 36 CO 0.72 -0.54 1.16 -0.83 -0.54 0.00 0.00 174.62 174.59 2pzx s GLY 37 N -4.31 -0.07 0.52 3.99 0.00 -1.01 -4.81 107.32 101.63 2pzx s GLY 37 Ca 0.55 2.54 -0.15 0.00 0.00 0.00 0.00 44.72 47.66 2pzx s GLY 37 CO 0.47 1.29 0.97 1.85 0.00 0.00 0.00 173.10 177.68 2pzx s GLU 38 N -0.74 3.86 -0.12 2.90 2.12 -1.26 0.85 118.70 126.32 2pzx s GLU 38 Ca 0.03 0.86 -0.09 0.00 0.36 0.00 0.00 54.97 56.13 2pzx s GLU 38 Cb -0.02 -2.15 0.04 0.00 0.26 0.00 0.00 34.13 32.25 2pzx s GLU 38 CO -0.04 -0.30 0.30 0.71 -0.54 0.00 0.00 175.26 175.38 2pzx s TYR 39 N -2.70 -0.36 -0.97 5.30 1.51 -0.72 -4.79 117.35 114.63 2pzx s TYR 39 Ca 0.57 0.84 0.10 0.00 -1.01 0.00 0.00 57.07 57.57 2pzx s TYR 39 Cb -0.10 0.11 0.02 0.00 -0.11 0.00 0.00 41.96 41.88 2pzx s TYR 39 CO 0.36 -0.19 0.67 -0.40 -1.11 0.00 0.00 175.55 174.87 2pzx n ASP 40 N 3.35 1.36 -4.41 2.29 5.75 -1.26 -1.50 116.55 122.13 2pzx n ASP 40 Ca -0.17 -1.18 -0.20 0.00 -0.01 0.00 0.00 54.79 53.23 2pzx n ASP 40 Cb 0.57 0.33 -0.10 0.00 -1.03 0.00 0.00 41.12 40.88 2pzx n ASP 40 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 2pzx s PHE 41 N -1.15 1.85 -0.25 2.11 -0.12 -1.26 0.29 117.98 119.44 2pzx s PHE 41 Ca 0.09 -0.92 -0.02 0.00 -0.05 0.00 0.00 56.93 56.03 2pzx s PHE 41 Cb 0.08 -1.15 0.14 0.00 -0.63 0.00 0.00 43.02 41.46 2pzx s PHE 41 CO 0.20 0.02 0.39 -0.98 -0.05 0.00 0.00 175.22 174.80 2pzx s ARG 42 N -3.87 0.37 0.52 1.99 1.70 -0.50 -4.82 118.95 114.34 2pzx s ARG 42 Ca 0.34 0.47 -0.20 0.00 -0.47 0.00 0.00 55.73 55.87 2pzx s ARG 42 Cb 0.07 -0.42 -0.08 0.00 -0.57 0.00 0.00 34.95 33.95 2pzx s ARG 42 CO 0.13 -0.71 0.82 -0.89 -1.08 0.00 0.00 175.30 173.57 2pzx n ILE 43 N 5.36 2.76 -3.54 4.99 5.41 -1.26 -3.35 119.36 129.74 2pzx n ILE 43 Ca -0.03 -0.50 -0.21 0.00 1.00 0.00 0.00 62.75 63.01 2pzx n ILE 43 Cb 0.50 -0.97 -0.03 0.00 -0.71 0.00 0.00 39.64 38.44 2pzx n ILE 43 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2pzx s LEU 44 N -0.48 3.38 0.21 1.39 1.43 -1.13 -4.56 118.68 118.91 2pzx s LEU 44 Ca 0.69 -0.75 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 2pzx s LEU 44 Cb -0.48 -2.05 0.17 0.00 0.03 0.00 0.00 46.19 43.85 2pzx s LEU 44 CO 0.53 -0.68 1.86 -0.65 0.23 0.00 0.00 176.35 177.64 2pzx h PRO 45 N 0.99 0.90 0.00 1.29 0.11 -1.89 1.05 132.00 134.44 2pzx h PRO 45 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pzx h PRO 45 Cb 1.27 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2pzx h PRO 45 CO 0.56 0.59 0.00 -0.40 -0.21 0.00 0.00 178.00 178.55 2pzx n ASP 46 N -4.62 0.17 -2.65 -2.05 5.68 -1.26 -4.91 116.55 106.91 2pzx n ASP 46 Ca 0.07 0.54 -0.03 0.00 -0.50 0.00 0.00 54.79 54.87 2pzx n ASP 46 Cb 0.05 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 2pzx n ASP 46 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2pzx n ASP 47 N -1.68 -6.61 -0.47 -1.12 8.00 0.36 -5.09 116.55 109.93 2pzx n ASP 47 Ca 0.03 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2pzx n ASP 47 Cb 0.18 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 2pzx n ASP 47 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2pzx n SER 48 N -1.03 0.96 -4.00 -2.24 3.41 -1.26 -4.81 113.62 104.65 2pzx n SER 48 Ca 0.04 -0.32 -0.31 0.00 -0.26 0.00 0.00 58.87 58.03 2pzx n SER 48 Cb 0.44 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 2pzx n SER 48 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2pzx s LYS 49 N 0.05 1.61 -0.05 4.33 1.02 -1.26 -2.86 119.74 122.59 2pzx s LYS 49 Ca 0.00 -1.60 -0.13 0.00 0.02 0.00 0.00 55.97 54.26 2pzx s LYS 49 Cb 0.00 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 2pzx s LYS 49 CO 0.00 -0.82 0.33 -1.14 -0.92 0.00 0.00 175.35 172.80 2pzx s GLN 50 N 1.05 3.84 0.71 1.68 0.74 -1.21 -4.89 119.66 121.58 2pzx s GLN 50 Ca 0.05 0.25 -0.16 0.00 0.05 0.00 0.00 55.36 55.54 2pzx s GLN 50 Cb -0.19 -3.24 0.01 0.00 1.10 0.00 0.00 33.01 30.69 2pzx s GLN 50 CO -0.09 0.66 1.03 1.63 -0.55 0.00 0.00 175.29 177.98 2pzx n LYS 51 N 2.06 0.60 -3.47 1.67 4.01 -1.26 -1.41 118.16 120.37 2pzx n LYS 51 Ca -0.15 0.26 -0.11 0.00 -0.51 0.00 0.00 58.31 57.80 2pzx n LYS 51 Cb 0.53 -2.28 -0.03 0.00 -0.51 0.00 0.00 35.03 32.74 2pzx n LYS 51 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2pzx s VAL 52 N -1.75 0.00 0.52 -0.18 1.01 0.85 -4.71 120.40 116.14 2pzx s VAL 52 Ca 0.75 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.52 2pzx s VAL 52 Cb -0.35 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.95 2pzx s VAL 52 CO 0.48 0.00 0.97 0.00 0.00 0.00 0.00 175.10 176.55 2pzx n ALA 53 N -0.15 0.17 -1.55 5.51 0.00 -1.26 -4.35 120.51 118.88 2pzx n ALA 53 Ca -0.14 0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 2pzx n ALA 53 Cb 0.63 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 2pzx n ALA 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pzx n ARG 54 N -0.45 0.47 -4.22 0.00 3.00 -1.25 -4.47 116.66 109.74 2pzx n ARG 54 Ca 0.11 -1.81 -0.34 0.00 -0.01 0.00 0.00 57.85 55.80 2pzx n ARG 54 Cb 0.44 -3.71 -0.11 0.00 0.00 0.00 0.00 32.46 29.09 2pzx n ARG 54 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2pzx s HIS 55 N 14.46 3.15 -0.02 -1.55 -3.43 -0.56 -4.82 115.29 122.51 2pzx s HIS 55 Ca 0.77 -0.05 -0.30 0.00 -0.80 0.00 0.00 55.06 54.67 2pzx s HIS 55 Cb -0.01 -1.99 -0.04 0.00 -1.43 0.00 0.00 32.58 29.11 2pzx s HIS 55 CO 0.19 0.13 1.20 -1.50 -2.00 0.00 0.00 174.74 172.76 2pzx s ILE 56 N 0.16 4.20 0.51 -5.38 1.10 -1.26 -1.75 121.20 118.79 2pzx s ILE 56 Ca 0.02 1.55 0.06 0.00 -0.51 0.00 0.00 60.65 61.77 2pzx s ILE 56 Cb -0.13 -4.00 0.02 0.00 0.15 0.00 0.00 42.46 38.51 2pzx s ILE 56 CO 0.02 0.04 0.41 -0.13 -2.11 0.00 0.00 174.94 173.17 2pzx s ARG 57 N 1.86 2.31 -0.08 3.50 0.52 0.25 -2.32 118.95 124.98 2pzx s ARG 57 Ca 0.57 -1.89 -0.03 0.00 -0.52 0.00 0.00 55.73 53.86 2pzx s ARG 57 Cb -0.26 -2.18 0.04 0.00 0.52 0.00 0.00 34.95 33.07 2pzx s ARG 57 CO 0.24 -0.52 0.14 0.20 0.02 0.00 0.00 175.30 175.38 2pzx s GLY 58 N -4.26 0.08 0.00 -3.53 0.00 0.97 -2.42 107.32 98.17 2pzx s GLY 58 Ca 0.39 0.47 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 2pzx s GLY 58 CO 0.24 1.63 2.36 0.00 0.00 0.00 0.00 173.10 177.33 2pzx h VAL 60 N 2.14 1.08 0.00 0.00 -1.51 -1.91 -3.10 116.25 112.95 2pzx h VAL 60 Ca 0.10 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2pzx h VAL 60 Cb 0.95 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 2pzx h VAL 60 CO 0.26 0.13 0.36 0.00 -1.23 0.00 0.00 177.57 177.09 2pzx n LYS 62 N -1.77 2.44 0.00 0.00 5.02 -1.17 -4.19 118.16 118.50 2pzx n LYS 62 Ca -0.00 -2.24 0.00 0.00 -2.02 0.00 0.00 58.31 54.04 2pzx n LYS 62 Cb 0.37 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2pzx n LYS 62 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pzx n LEU 63 N 1.33 0.36 -3.64 -0.35 4.77 0.44 -5.02 117.00 114.88 2pzx n LEU 63 Ca 0.18 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2pzx n LEU 63 Cb 0.56 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 2pzx n LEU 63 CO 0.14 0.09 0.86 -0.54 -1.33 0.00 0.00 177.39 176.61 2pzx s LYS 64 N -0.44 0.20 0.35 3.23 -0.14 -0.94 -5.07 119.74 116.93 2pzx s LYS 64 Ca 0.00 0.34 -0.24 0.00 -1.36 0.00 0.00 55.97 54.71 2pzx s LYS 64 Cb 0.00 0.04 -0.14 0.00 -1.68 0.00 0.00 37.83 36.05 2pzx s LYS 64 CO 0.00 -0.04 0.53 -0.35 -0.76 0.00 0.00 175.35 174.73 2pzx n PRO 65 N 3.38 0.46 -4.31 -1.68 -0.04 -1.26 -4.18 135.00 127.37 2pzx n PRO 65 Ca -0.18 0.17 -0.28 0.00 -0.04 0.00 0.00 63.50 63.17 2pzx n PRO 65 Cb 0.57 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 2pzx n PRO 65 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pzx s VAL 67 N -2.72 -0.12 -0.41 0.00 1.01 -1.08 -4.77 120.40 112.31 2pzx s VAL 67 Ca 0.30 -1.15 -0.34 0.00 0.00 0.00 0.00 61.98 60.79 2pzx s VAL 67 Cb 0.03 -0.94 -0.12 0.00 0.00 0.00 0.00 36.38 35.35 2pzx s VAL 67 CO 0.17 -0.75 2.24 0.54 0.00 0.00 0.00 175.10 177.30 2pzx n ARG 68 N 4.51 0.97 -4.26 2.72 5.12 -1.26 -3.67 116.66 120.79 2pzx n ARG 68 Ca 0.06 0.24 -0.31 0.00 -1.93 0.00 0.00 57.85 55.91 2pzx n ARG 68 Cb 0.42 -2.45 -0.09 0.00 -1.16 0.00 0.00 32.46 29.18 2pzx n ARG 68 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2pzx s PHE 69 N 7.81 2.97 -0.02 -1.55 0.40 -0.93 0.78 117.98 127.44 2pzx s PHE 69 Ca 1.11 -0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 57.33 2pzx s PHE 69 Cb -0.85 -1.58 -0.31 0.00 0.51 0.00 0.00 43.02 40.79 2pzx s PHE 69 CO 0.48 0.44 0.79 0.00 0.70 0.00 0.00 175.22 177.63 2pzx n PRO 72 N -0.88 1.48 0.02 0.00 -0.02 -1.26 -4.70 135.00 129.64 2pzx n PRO 72 Ca -0.07 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.53 2pzx n PRO 72 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 34.01 2pzx n PRO 72 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2pzx n HIS 73 N -0.80 0.26 0.83 6.00 1.44 -1.26 -4.18 115.22 117.50 2pzx n HIS 73 Ca 0.00 0.08 0.09 0.00 -2.01 0.00 0.00 57.72 55.88 2pzx n HIS 73 Cb 0.00 -0.47 -0.02 0.00 0.12 0.00 0.00 29.99 29.62 2pzx n HIS 73 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2pzx n ASP 74 N -2.07 1.63 -4.74 4.39 5.75 -1.26 -4.98 116.55 115.26 2pzx n ASP 74 Ca 0.00 -1.31 -0.41 0.00 -0.01 0.00 0.00 54.79 53.06 2pzx n ASP 74 Cb 0.47 0.56 -0.05 0.00 -1.03 0.00 0.00 41.12 41.07 2pzx n ASP 74 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2pzx s HIS 75 N -2.22 3.80 -0.19 2.11 3.76 -1.26 -4.51 115.29 116.79 2pzx s HIS 75 Ca 0.14 1.79 -0.04 0.00 -0.15 0.00 0.00 55.06 56.80 2pzx s HIS 75 Cb 0.15 -3.09 -0.02 0.00 1.11 0.00 0.00 32.58 30.72 2pzx s HIS 75 CO 0.51 0.06 -0.03 -1.50 -0.85 0.00 0.00 174.74 172.93 2pzx s ILE 76 N -0.45 3.68 0.38 0.60 2.07 0.90 -4.15 121.20 124.23 2pzx s ILE 76 Ca 0.46 -0.41 -0.27 0.00 -1.41 0.00 0.00 60.65 59.01 2pzx s ILE 76 Cb -0.26 -2.64 -0.10 0.00 0.13 0.00 0.00 42.46 39.59 2pzx s ILE 76 CO 0.32 0.45 1.36 -0.32 -1.91 0.00 0.00 174.94 174.85 2pzx s MET 77 N 0.92 4.11 -0.34 3.50 -2.45 0.45 -2.62 119.30 122.87 2pzx s MET 77 Ca -0.00 2.31 0.00 0.00 -1.25 0.00 0.00 55.69 56.75 2pzx s MET 77 Cb -0.15 -2.91 0.14 0.00 1.25 0.00 0.00 34.83 33.16 2pzx s MET 77 CO 0.01 -0.43 0.25 0.34 1.05 0.00 0.00 175.02 176.24 2pzx s ASP 78 N -0.48 2.45 -1.13 1.11 -1.08 -0.85 -4.27 116.67 112.42 2pzx s ASP 78 Ca 0.53 -1.76 -0.02 0.00 -0.52 0.00 0.00 52.55 50.78 2pzx s ASP 78 Cb -0.41 -0.05 0.00 0.00 -1.46 0.00 0.00 42.92 41.00 2pzx s ASP 78 CO 0.55 -0.32 0.95 -3.20 0.52 0.00 0.00 175.17 173.67 2pzx n ASN 79 N 4.39 -2.79 0.00 -0.34 5.15 -1.26 -2.08 115.26 118.32 2pzx n ASN 79 Ca 0.08 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 2pzx n ASN 79 Cb 0.41 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 34.90 2pzx n ASN 79 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pzx n GLY 80 N -1.27 0.35 3.47 8.20 0.00 -1.26 -4.86 105.19 109.82 2pzx n GLY 80 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2pzx n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pzx s VAL 81 N -1.95 4.11 0.03 1.61 1.01 -0.88 -4.82 120.40 119.50 2pzx s VAL 81 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2pzx s VAL 81 Cb 0.00 -2.86 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 2pzx s VAL 81 CO 0.00 0.42 1.86 0.00 0.00 0.00 0.00 175.10 177.38 2pzx s TYR 83 N 4.02 2.11 -0.61 0.00 5.04 -1.08 -4.96 117.35 121.86 2pzx s TYR 83 Ca 0.83 -0.65 0.06 0.00 -2.44 0.00 0.00 57.07 54.86 2pzx s TYR 83 Cb -0.41 -1.40 0.29 0.00 0.35 0.00 0.00 41.96 40.79 2pzx s TYR 83 CO 0.38 -0.22 0.84 -3.47 -1.34 0.00 0.00 175.55 171.74 2pzx n ASP 84 N 3.13 4.11 -2.74 4.32 2.03 -1.26 -0.07 116.55 126.07 2pzx n ASP 84 Ca -0.18 -3.56 -0.01 0.00 0.52 0.00 0.00 54.79 51.56 2pzx n ASP 84 Cb 0.52 -0.62 0.05 0.00 -0.72 0.00 0.00 41.12 40.35 2pzx n ASP 84 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2pzx n ASN 85 N 0.34 1.70 -4.62 1.67 5.15 -1.26 -5.05 115.26 113.20 2pzx n ASN 85 Ca 0.30 -2.10 -0.43 0.00 -0.60 0.00 0.00 54.58 51.75 2pzx n ASN 85 Cb 0.40 -0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 39.16 2pzx n ASN 85 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2pzx s MET 86 N -3.64 3.96 0.83 1.20 -1.94 -1.26 -5.02 119.30 113.42 2pzx s MET 86 Ca 0.28 0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 54.97 2pzx s MET 86 Cb 0.33 -3.77 0.09 0.00 2.01 0.00 0.00 34.83 33.48 2pzx s MET 86 CO -0.04 -0.92 1.09 -1.54 -0.01 0.00 0.00 175.02 173.60 2pzx s SER 87 N 1.78 4.15 0.58 3.03 1.04 -1.26 -4.80 113.70 118.22 2pzx s SER 87 Ca 0.42 1.49 0.28 0.00 0.48 0.00 0.00 55.95 58.62 2pzx s SER 87 Cb -0.12 -2.21 1.54 0.00 0.10 0.00 0.00 66.02 65.33 2pzx s SER 87 CO 0.17 -2.21 1.99 0.44 0.98 0.00 0.00 173.24 174.61 2pzx h ASP 88 N -1.25 0.00 0.13 7.02 3.32 -1.99 -2.18 116.42 121.46 2pzx h ASP 88 Ca -0.47 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 2pzx h ASP 88 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2pzx h ASP 88 CO 0.56 0.00 -0.06 -0.08 -1.72 0.00 0.00 179.24 177.94 2pzx h GLU 89 N 0.00 -0.16 -0.47 3.56 4.81 -1.97 -2.96 114.58 117.38 2pzx h GLU 89 Ca 0.17 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2pzx h GLU 89 Cb 0.88 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 2pzx h GLU 89 CO -0.00 0.30 0.19 0.93 -0.73 0.00 0.00 179.01 179.69 2pzx h GLU 90 N -0.88 0.37 -0.14 1.92 5.08 -1.77 -0.70 114.58 118.46 2pzx h GLU 90 Ca -0.02 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2pzx h GLU 90 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2pzx h GLU 90 CO 0.03 0.24 0.07 -0.07 -1.00 0.00 0.00 179.01 178.28 2pzx h LEU 91 N 0.38 0.16 -0.40 1.33 3.38 -1.54 0.19 115.31 118.81 2pzx h LEU 91 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2pzx h LEU 91 Cb 0.19 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pzx h LEU 91 CO -0.20 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.46 2pzx n ALA 92 N -2.52 2.56 -1.99 1.53 0.00 -0.32 -3.58 120.51 116.20 2pzx n ALA 92 Ca -0.01 -0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.22 2pzx n ALA 92 Cb 0.09 -1.19 0.07 0.00 0.00 0.00 0.00 19.45 18.43 2pzx n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pzx n GLU 93 N -0.35 0.50 -3.90 0.00 1.02 0.65 -5.05 120.64 113.51 2pzx n GLU 93 Ca 0.13 -2.09 -0.34 0.00 -0.02 0.00 0.00 57.16 54.84 2pzx n GLU 93 Cb 0.15 -0.67 -0.13 0.00 -0.02 0.00 0.00 31.44 30.77 2pzx n GLU 93 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2pzx s LEU 94 N -1.05 4.71 -0.82 -4.62 2.34 -1.05 -4.32 118.68 113.87 2pzx s LEU 94 Ca 0.26 -1.87 -0.34 0.00 0.06 0.00 0.00 54.13 52.24 2pzx s LEU 94 Cb 0.27 -1.73 -0.20 0.00 -0.56 0.00 0.00 46.19 43.97 2pzx s LEU 94 CO -0.08 -0.41 2.45 -0.67 -1.06 0.00 0.00 176.35 176.58 2pzx n ASP 95 N 4.49 0.42 -0.21 1.48 -0.08 -1.14 -4.74 116.55 116.77 2pzx n ASP 95 Ca -0.03 0.33 0.15 0.00 -1.51 0.00 0.00 54.79 53.72 2pzx n ASP 95 Cb 0.42 -0.89 0.75 0.00 2.34 0.00 0.00 41.12 43.74 2pzx n ASP 95 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2pzx n PRO 96 N 7.95 1.28 -3.96 -0.67 -0.04 -1.26 -4.17 135.00 134.13 2pzx n PRO 96 Ca 0.61 -0.41 -0.35 0.00 -0.04 0.00 0.00 63.50 63.31 2pzx n PRO 96 Cb 0.01 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 31.90 2pzx n PRO 96 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pzx s PHE 97 N -1.99 3.28 0.19 0.54 0.40 -1.26 0.11 117.98 119.24 2pzx s PHE 97 Ca 0.43 0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.94 2pzx s PHE 97 Cb 0.21 -2.09 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 2pzx s PHE 97 CO 0.35 0.19 0.12 -0.51 0.70 0.00 0.00 175.22 176.07 2pzx s LEU 98 N 0.34 3.72 -0.26 -0.37 1.43 -1.02 -4.89 118.68 117.62 2pzx s LEU 98 Ca 0.04 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 2pzx s LEU 98 Cb -0.12 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 2pzx s LEU 98 CO -0.00 0.05 0.23 0.20 0.23 0.00 0.00 176.35 177.06 2pzx s ASN 99 N -3.25 6.12 -0.06 2.29 0.01 -1.26 -2.30 114.94 116.49 2pzx s ASN 99 Ca 0.31 0.11 0.05 0.00 -0.71 0.00 0.00 52.86 52.62 2pzx s ASN 99 Cb -0.09 -2.14 -0.01 0.00 0.41 0.00 0.00 41.25 39.42 2pzx s ASN 99 CO 0.23 -0.05 -0.22 0.68 -1.51 0.00 0.00 177.10 176.23 2pzx s VAL 100 N 1.62 1.84 -0.38 1.60 -7.23 -1.07 -4.40 120.40 112.39 2pzx s VAL 100 Ca 0.09 -0.94 -0.23 0.00 -1.81 0.00 0.00 61.98 59.09 2pzx s VAL 100 Cb -0.15 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.23 2pzx s VAL 100 CO 0.09 0.52 0.80 -0.89 -0.31 0.00 0.00 175.10 175.31 2pzx s THR 101 N -0.02 4.70 1.11 5.32 2.01 -1.04 -2.45 115.64 125.28 2pzx s THR 101 Ca -0.06 0.86 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 2pzx s THR 101 Cb -0.14 -4.24 0.24 0.00 0.01 0.00 0.00 72.50 68.38 2pzx s THR 101 CO 0.04 -0.48 1.11 -0.76 -0.69 0.00 0.00 174.62 173.84 2pzx s LEU 102 N 3.18 1.14 0.28 4.42 1.43 -0.77 -3.41 118.68 124.94 2pzx s LEU 102 Ca 0.32 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 2pzx s LEU 102 Cb -0.13 -2.74 0.55 0.00 0.03 0.00 0.00 46.19 43.90 2pzx s LEU 102 CO 0.18 -3.66 1.83 0.44 0.23 0.00 0.00 176.35 175.37 2pzx h ASP 103 N -2.26 0.89 0.00 2.29 3.32 -1.96 -1.35 116.42 117.35 2pzx h ASP 103 Ca -0.49 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2pzx h ASP 103 Cb 1.31 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2pzx h ASP 103 CO 0.44 0.46 0.00 -0.90 -1.72 0.00 0.00 179.24 177.52 2pzx n ASP 104 N -4.65 0.00 0.00 6.45 5.68 -1.26 -4.87 116.55 117.90 2pzx n ASP 104 Ca 0.19 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 2pzx n ASP 104 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2pzx n ASP 104 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pzx n GLY 105 N 0.18 1.04 3.98 6.12 0.00 -0.51 -5.05 105.19 110.94 2pzx n GLY 105 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2pzx n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pzx s SER 106 N -3.06 5.88 -0.13 1.61 1.04 -1.26 -4.87 113.70 112.92 2pzx s SER 106 Ca 0.00 -0.00 -0.03 0.00 0.48 0.00 0.00 55.95 56.40 2pzx s SER 106 Cb 0.00 -1.32 -0.03 0.00 0.10 0.00 0.00 66.02 64.77 2pzx s SER 106 CO 0.00 -0.57 -0.02 -0.69 0.98 0.00 0.00 173.24 172.94 2pzx s VAL 107 N -2.35 4.10 -0.01 5.02 1.01 -1.26 -1.85 120.40 125.05 2pzx s VAL 107 Ca 0.47 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.19 2pzx s VAL 107 Cb -0.10 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 2pzx s VAL 107 CO 0.34 0.54 -0.16 -0.55 0.00 0.00 0.00 175.10 175.27 2pzx s SER 108 N -0.17 1.85 -0.10 3.32 0.15 -1.02 -4.98 113.70 112.74 2pzx s SER 108 Ca 0.04 -0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 2pzx s SER 108 Cb -0.13 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 2pzx s SER 108 CO 0.02 0.19 1.03 -0.60 1.20 0.00 0.00 173.24 175.08 2pzx s ARG 109 N -0.36 4.42 -0.06 5.44 3.52 -1.26 -2.60 118.95 128.04 2pzx s ARG 109 Ca 0.06 1.42 0.01 0.00 -0.13 0.00 0.00 55.73 57.09 2pzx s ARG 109 Cb -0.06 -3.54 0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2pzx s ARG 109 CO -0.01 -0.32 -0.08 1.03 -0.81 0.00 0.00 175.30 175.11 2pzx s ARG 110 N 2.02 1.33 0.19 5.12 1.81 -0.97 -4.99 118.95 123.44 2pzx s ARG 110 Ca 0.49 -0.27 -0.33 0.00 -1.72 0.00 0.00 55.73 53.91 2pzx s ARG 110 Cb -0.19 -1.20 -0.14 0.00 -0.45 0.00 0.00 34.95 32.97 2pzx s ARG 110 CO 0.18 -0.05 1.44 1.58 -0.68 0.00 0.00 175.30 177.77 2pzx n HIS 111 N 4.06 2.05 -0.13 -0.53 -0.00 -1.26 -2.44 115.22 116.97 2pzx n HIS 111 Ca -0.22 0.42 -0.02 0.00 -0.00 0.00 0.00 57.72 57.90 2pzx n HIS 111 Cb 0.51 -2.46 0.22 0.00 -0.00 0.00 0.00 29.99 28.26 2pzx n HIS 111 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 2pzx h PHE 112 N 4.81 0.83 0.00 1.57 -5.15 0.36 -3.25 116.94 116.12 2pzx h PHE 112 Ca -0.45 -0.06 0.00 0.00 -0.20 0.00 0.00 57.97 57.26 2pzx h PHE 112 Cb 1.28 -0.25 0.00 0.00 0.22 0.00 0.00 35.95 37.20 2pzx h PHE 112 CO 0.59 0.67 -1.27 1.17 -2.00 0.00 0.00 178.31 177.47 2pzx n LYS 113 N -4.31 1.20 -0.12 6.09 4.81 -1.26 -4.41 118.16 120.16 2pzx n LYS 113 Ca 0.04 -0.08 -0.25 0.00 -0.87 0.00 0.00 58.31 57.15 2pzx n LYS 113 Cb 0.19 -1.25 -0.11 0.00 0.02 0.00 0.00 35.03 33.88 2pzx n LYS 113 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2pzx n ASN 114 N -1.74 1.96 -0.05 3.14 3.02 -1.25 -4.40 115.26 115.94 2pzx n ASN 114 Ca -0.01 0.26 0.15 0.00 -0.03 0.00 0.00 54.58 54.95 2pzx n ASN 114 Cb 0.30 -0.79 0.69 0.00 -0.61 0.00 0.00 39.78 39.37 2pzx n ASN 114 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pzx n GLU 115 N -4.04 0.55 -4.40 3.52 1.02 -1.23 -4.90 120.64 111.16 2pzx n GLU 115 Ca -0.46 -0.10 -0.25 0.00 -0.02 0.00 0.00 57.16 56.33 2pzx n GLU 115 Cb 0.87 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.72 2pzx n GLU 115 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pzx n LEU 116 N -1.14 0.00 -4.18 -4.62 4.77 -1.25 -4.87 117.00 105.72 2pzx n LEU 116 Ca 0.14 -3.17 -0.34 0.00 -0.03 0.00 0.00 56.01 52.61 2pzx n LEU 116 Cb 0.26 1.17 -0.14 0.00 -2.33 0.00 0.00 43.42 42.38 2pzx n LEU 116 CO 0.23 -0.50 -0.39 -0.63 -1.33 0.00 0.00 177.39 174.78 2pzx s ILE 117 N -3.16 2.88 -0.52 -0.08 1.01 -0.98 -4.75 121.20 115.59 2pzx s ILE 117 Ca 0.25 -1.26 -0.28 0.00 0.00 0.00 0.00 60.65 59.36 2pzx s ILE 117 Cb 0.01 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.92 2pzx s ILE 117 CO 0.17 0.02 1.35 -0.69 0.00 0.00 0.00 174.94 175.80 2pzx s VAL 118 N 1.27 3.90 -0.21 2.92 1.01 -1.26 -2.64 120.40 125.39 2pzx s VAL 118 Ca -0.03 0.83 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 2pzx s VAL 118 Cb -0.18 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 2pzx s VAL 118 CO -0.03 -1.09 0.47 -1.10 0.00 0.00 0.00 175.10 173.36 2pzx s GLN 119 N 5.17 4.16 0.00 2.72 -0.21 -1.24 -4.93 119.66 125.34 2pzx s GLN 119 Ca 0.52 0.32 0.00 0.00 0.02 0.00 0.00 55.36 56.22 2pzx s GLN 119 Cb -0.10 -3.57 0.00 0.00 1.00 0.00 0.00 33.01 30.34 2pzx s GLN 119 CO 0.28 -0.14 0.00 -2.67 -2.12 0.00 0.00 175.29 170.63 2pzx n TRP 120 N 4.80 0.00 1.71 0.91 4.27 -1.26 -2.18 117.44 125.68 2pzx n TRP 120 Ca -0.06 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.68 2pzx n TRP 120 Cb 0.51 0.00 0.64 0.00 -1.36 0.00 0.00 31.31 31.09 2pzx n TRP 120 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 2pzx n ASP 121 N -0.94 0.76 -4.74 -0.67 3.85 -1.26 -4.62 116.55 108.93 2pzx n ASP 121 Ca 0.00 -1.36 -0.41 0.00 -0.71 0.00 0.00 54.79 52.31 2pzx n ASP 121 Cb 0.00 -0.02 -0.04 0.00 -1.35 0.00 0.00 41.12 39.72 2pzx n ASP 121 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2pzx s LEU 122 N -1.84 4.46 0.46 -2.12 1.43 -1.26 -5.00 118.68 114.80 2pzx s LEU 122 Ca 0.38 2.18 -0.25 0.00 -1.03 0.00 0.00 54.13 55.42 2pzx s LEU 122 Cb 0.19 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.72 2pzx s LEU 122 CO 0.31 -0.33 1.38 -0.81 0.23 0.00 0.00 176.35 177.14 2pzx n PRO 123 N 2.50 2.11 -1.60 1.29 -0.04 -1.26 -4.92 135.00 133.08 2pzx n PRO 123 Ca 0.04 0.75 -0.44 0.00 -0.04 0.00 0.00 63.50 63.81 2pzx n PRO 123 Cb 0.45 -2.56 -0.01 0.00 -0.04 0.00 0.00 33.50 31.34 2pzx n PRO 123 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2pzx n MET 124 N -0.23 1.41 0.03 0.54 1.56 -1.26 -4.83 117.12 114.34 2pzx n MET 124 Ca 0.06 0.50 0.08 0.00 -0.27 0.00 0.00 57.70 58.07 2pzx n MET 124 Cb 0.41 -1.91 0.34 0.00 2.15 0.00 0.00 33.22 34.22 2pzx n MET 124 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2pzx n PRO 125 N 0.63 0.04 0.00 2.12 -0.04 -1.26 -4.26 135.00 132.22 2pzx n PRO 125 Ca 0.09 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2pzx n PRO 125 Cb 0.34 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 2pzx n PRO 125 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pzx s ASP 127 N 0.00 7.50 -0.32 0.00 2.15 -1.26 -4.33 116.67 120.41 2pzx s ASP 127 Ca 0.00 1.78 -0.06 0.00 0.43 0.00 0.00 52.55 54.70 2pzx s ASP 127 Cb 0.00 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 2pzx s ASP 127 CO 0.00 0.18 0.37 0.61 -0.17 0.00 0.00 175.17 176.17 2pzx n GLY 128 N 1.53 -0.99 3.80 2.66 0.00 -1.26 -5.03 105.19 105.89 2pzx n GLY 128 Ca -0.04 0.53 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 2pzx n GLY 128 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pzx s MET 129 N -2.31 3.07 -0.31 1.61 -1.94 -1.26 -4.72 119.30 113.43 2pzx s MET 129 Ca 0.10 -0.51 -0.14 0.00 -1.71 0.00 0.00 55.69 53.42 2pzx s MET 129 Cb -0.03 -2.86 -0.03 0.00 2.01 0.00 0.00 34.83 33.93 2pzx s MET 129 CO 0.45 0.63 0.31 -0.59 -0.01 0.00 0.00 175.02 175.81 2pzx s PHE 130 N -1.26 3.22 1.17 -0.03 -0.12 -0.90 -4.53 117.98 115.53 2pzx s PHE 130 Ca 0.25 0.10 -0.19 0.00 -0.05 0.00 0.00 56.93 57.04 2pzx s PHE 130 Cb -0.12 -2.56 0.27 0.00 -0.63 0.00 0.00 43.02 39.98 2pzx s PHE 130 CO 0.17 -0.31 1.13 1.52 -0.05 0.00 0.00 175.22 177.67 2pzx s TYR 131 N 1.94 0.68 0.11 3.49 -0.85 -1.26 -1.90 117.35 119.57 2pzx s TYR 131 Ca 0.11 0.50 0.07 0.00 -0.52 0.00 0.00 57.07 57.23 2pzx s TYR 131 Cb -0.16 -3.50 -0.04 0.00 0.38 0.00 0.00 41.96 38.64 2pzx s TYR 131 CO 0.11 -3.71 -0.17 -0.51 -1.52 0.00 0.00 175.55 169.75 2pzx s LEU 132 N -6.81 2.35 -0.44 -3.49 1.43 -0.55 -4.82 118.68 106.35 2pzx s LEU 132 Ca 0.71 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2pzx s LEU 132 Cb -0.10 -0.69 0.15 0.00 0.03 0.00 0.00 46.19 45.58 2pzx s LEU 132 CO 0.56 -0.05 0.31 -0.62 0.23 0.00 0.00 176.35 176.78 2pzx s ASP 133 N -2.17 2.74 0.64 2.29 -1.08 -1.26 -4.48 116.67 113.35 2pzx s ASP 133 Ca 0.07 -2.86 0.19 0.00 -0.52 0.00 0.00 52.55 49.43 2pzx s ASP 133 Cb -0.08 -0.72 0.85 0.00 -1.46 0.00 0.00 42.92 41.52 2pzx s ASP 133 CO 0.04 -0.21 1.43 -0.55 0.52 0.00 0.00 175.17 176.40 2pzx h ASN 134 N 6.19 0.00 -0.47 -0.34 7.08 -1.95 0.33 115.58 126.41 2pzx h ASN 134 Ca 0.14 0.00 0.14 0.00 -3.08 0.00 0.00 56.30 53.50 2pzx h ASN 134 Cb 0.91 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.13 2pzx h ASN 134 CO 0.41 0.00 0.43 0.03 -2.08 0.00 0.00 177.43 176.22 2pzx h ARG 135 N 0.00 0.00 -5.28 4.14 3.08 -1.94 -3.36 114.38 111.02 2pzx h ARG 135 Ca 0.17 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.61 2pzx h ARG 135 Cb 1.83 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.75 2pzx h ARG 135 CO -0.00 0.00 -0.35 -1.21 -1.07 0.00 0.00 179.97 177.34 2pzx s GLU 136 N -4.75 4.14 0.46 0.04 0.41 0.12 -4.98 118.70 114.14 2pzx s GLU 136 Ca -0.05 -0.02 0.32 0.00 -0.41 0.00 0.00 54.97 54.81 2pzx s GLU 136 Cb 0.17 -3.52 1.42 0.00 -1.78 0.00 0.00 34.13 30.42 2pzx s GLU 136 CO 0.61 0.04 1.67 1.05 -0.49 0.00 0.00 175.26 178.15 2pzx h GLU 137 N 7.33 0.12 -0.19 1.61 4.11 -1.85 0.31 114.58 126.01 2pzx h GLU 137 Ca -0.38 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 58.88 2pzx h GLU 137 Cb 1.16 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2pzx h GLU 137 CO 0.70 0.08 -0.57 1.96 0.07 0.00 0.00 179.01 181.25 2pzx h GLN 138 N 0.12 0.59 -0.49 1.06 7.50 -1.91 -3.07 115.11 118.91 2pzx h GLN 138 Ca 0.75 -0.38 0.00 0.00 0.50 0.00 0.00 58.65 59.52 2pzx h GLN 138 Cb 2.48 0.05 0.00 0.00 0.05 0.00 0.00 27.48 30.06 2pzx h GLN 138 CO -0.28 1.00 0.00 -0.25 -1.50 0.00 0.00 178.83 177.80 2pzx n ASP 139 N -3.95 1.45 -4.76 1.46 9.92 0.11 -4.02 116.55 116.75 2pzx n ASP 139 Ca -0.04 -2.10 -0.38 0.00 -0.53 0.00 0.00 54.79 51.75 2pzx n ASP 139 Cb 0.62 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 2pzx n ASP 139 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2pzx s LYS 140 N -1.61 3.69 0.33 -1.24 -0.14 -1.16 -3.40 119.74 116.21 2pzx s LYS 140 Ca 0.12 2.00 -0.14 0.00 -1.36 0.00 0.00 55.97 56.59 2pzx s LYS 140 Cb 0.08 -2.49 0.03 0.00 -1.68 0.00 0.00 37.83 33.77 2pzx s LYS 140 CO 0.06 -0.67 0.66 1.52 -0.76 0.00 0.00 175.35 176.16 2pzx s TYR 141 N -1.40 0.27 -0.16 3.18 -0.85 -1.26 -1.72 117.35 115.42 2pzx s TYR 141 Ca 0.63 -0.76 -0.03 0.00 -0.52 0.00 0.00 57.07 56.38 2pzx s TYR 141 Cb -0.34 0.53 0.05 0.00 0.38 0.00 0.00 41.96 42.58 2pzx s TYR 141 CO 0.42 -1.32 0.05 0.99 -1.52 0.00 0.00 175.55 174.17 2pzx s THR 142 N -3.09 0.21 -0.36 -3.49 2.01 -0.03 -4.92 115.64 105.97 2pzx s THR 142 Ca 0.18 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 2pzx s THR 142 Cb -0.04 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.77 2pzx s THR 142 CO 0.12 -0.14 0.21 -0.22 -0.69 0.00 0.00 174.62 173.89 2pzx s LEU 143 N 2.01 4.59 0.68 4.42 2.96 -1.26 -1.82 118.68 130.27 2pzx s LEU 143 Ca 0.01 -0.80 -0.11 0.00 -0.22 0.00 0.00 54.13 53.02 2pzx s LEU 143 Cb -0.16 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.50 2pzx s LEU 143 CO -0.08 -0.33 1.07 -0.36 -1.32 0.00 0.00 176.35 175.33 2pzx s PHE 144 N 1.60 3.33 0.23 5.38 0.40 -1.15 -2.48 117.98 125.30 2pzx s PHE 144 Ca 0.03 1.01 -0.05 0.00 -0.60 0.00 0.00 56.93 57.32 2pzx s PHE 144 Cb -0.18 -3.00 0.24 0.00 0.51 0.00 0.00 43.02 40.58 2pzx s PHE 144 CO 0.07 -1.10 1.77 1.49 0.70 0.00 0.00 175.22 178.15 2pzx h GLU 145 N -0.56 1.03 0.00 0.44 4.81 -1.89 -1.55 114.58 116.86 2pzx h GLU 145 Ca -0.45 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 2pzx h GLU 145 Cb 1.25 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2pzx h GLU 145 CO 0.63 0.90 0.00 0.27 -0.73 0.00 0.00 179.01 180.08 2pzx n ASN 146 N -4.25 0.00 0.00 1.04 0.23 -1.26 -4.07 115.26 106.94 2pzx n ASN 146 Ca 0.05 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 2pzx n ASN 146 Cb 0.24 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 2pzx n ASN 146 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pzx n GLY 147 N -0.10 0.50 3.59 4.83 0.00 -0.58 -4.94 105.19 108.49 2pzx n GLY 147 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2pzx n GLY 147 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pzx s THR 148 N -2.22 3.60 -0.31 2.61 2.01 -1.26 -4.47 115.64 115.60 2pzx s THR 148 Ca 0.00 0.59 -0.24 0.00 0.31 0.00 0.00 61.69 62.35 2pzx s THR 148 Cb 0.00 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.65 2pzx s THR 148 CO 0.00 -0.58 0.82 0.12 -0.69 0.00 0.00 174.62 174.28 2pzx s PHE 149 N 6.64 3.19 -0.10 4.92 5.36 -0.77 -2.92 117.98 134.30 2pzx s PHE 149 Ca 0.72 0.83 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 2pzx s PHE 149 Cb -0.19 -3.28 -0.02 0.00 -0.34 0.00 0.00 43.02 39.19 2pzx s PHE 149 CO 0.32 -0.60 -0.10 0.12 -1.46 0.00 0.00 175.22 173.49 2pzx s PHE 150 N 3.04 2.85 -0.11 10.12 5.36 -0.75 0.75 117.98 139.24 2pzx s PHE 150 Ca 0.34 -0.29 -0.01 0.00 -0.96 0.00 0.00 56.93 56.01 2pzx s PHE 150 Cb -0.14 -1.77 -0.03 0.00 -0.34 0.00 0.00 43.02 40.74 2pzx s PHE 150 CO 0.13 0.06 -0.05 0.50 -1.46 0.00 0.00 175.22 174.41 2pzx s ARG 151 N -0.24 3.16 0.08 10.12 3.52 -0.95 -0.85 118.95 133.79 2pzx s ARG 151 Ca 0.02 -0.52 0.08 0.00 -0.13 0.00 0.00 55.73 55.18 2pzx s ARG 151 Cb -0.13 -2.74 -0.22 0.00 -1.56 0.00 0.00 34.95 30.30 2pzx s ARG 151 CO 0.03 0.50 1.14 0.45 -0.81 0.00 0.00 175.30 176.60 2pzx h HIS 152 N 5.83 0.00 0.46 5.12 3.86 -1.64 -2.95 115.15 125.83 2pzx h HIS 152 Ca -0.41 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.78 2pzx h HIS 152 Cb 1.18 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 2pzx h HIS 152 CO 0.56 1.00 -0.45 0.35 0.86 0.00 0.00 177.93 180.26 2pzx h PHE 153 N 0.00 -1.23 -0.63 2.45 3.57 -1.73 -3.26 116.94 116.11 2pzx h PHE 153 Ca -0.07 0.01 -0.39 0.00 3.53 0.00 0.00 57.97 61.04 2pzx h PHE 153 Cb 1.83 0.48 -0.23 0.00 2.79 0.00 0.00 35.95 40.82 2pzx h PHE 153 CO 0.00 -0.60 0.03 -0.40 -2.23 0.00 0.00 178.31 175.12 2pzx n ASP 154 N -5.13 4.06 -3.68 0.41 5.75 -1.26 -4.98 116.55 111.73 2pzx n ASP 154 Ca -0.11 -3.77 -0.14 0.00 -0.01 0.00 0.00 54.79 50.76 2pzx n ASP 154 Cb 0.41 -0.67 0.01 0.00 -1.03 0.00 0.00 41.12 39.84 2pzx n ASP 154 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2pzx n ARG 155 N -1.01 -0.73 -5.15 0.11 1.74 -1.12 -4.90 116.66 105.61 2pzx n ARG 155 Ca 0.44 -0.23 -0.31 0.00 -0.77 0.00 0.00 57.85 56.98 2pzx n ARG 155 Cb 1.03 -0.25 -0.17 0.00 -1.02 0.00 0.00 32.46 32.05 2pzx n ARG 155 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2pzx s VAL 156 N -4.11 1.94 -0.08 1.55 -7.23 -1.20 -4.98 120.40 106.28 2pzx s VAL 156 Ca 0.13 -0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 59.21 2pzx s VAL 156 Cb -0.07 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 2pzx s VAL 156 CO 0.31 0.53 0.31 -0.89 -0.31 0.00 0.00 175.10 175.06 2pzx s THR 157 N 0.26 5.23 -0.07 5.32 2.01 -1.26 -2.23 115.64 124.91 2pzx s THR 157 Ca -0.15 0.60 0.05 0.00 0.31 0.00 0.00 61.69 62.50 2pzx s THR 157 Cb -0.17 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 2pzx s THR 157 CO 0.07 0.53 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.56 2pzx s LEU 158 N -0.58 2.28 0.07 4.42 1.43 0.23 -5.00 118.68 121.52 2pzx s LEU 158 Ca 0.20 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 2pzx s LEU 158 Cb -0.14 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 2pzx s LEU 158 CO 0.08 0.25 0.41 -0.13 0.23 0.00 0.00 176.35 177.20 2pzx s ARG 159 N -0.17 3.81 0.00 1.70 0.52 -1.26 -1.84 118.95 121.70 2pzx s ARG 159 Ca -0.02 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 2pzx s ARG 159 Cb -0.14 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.31 2pzx s ARG 159 CO 0.04 0.58 0.30 1.63 0.02 0.00 0.00 175.30 177.86 2pzx n LYS 160 N 1.05 0.00 0.07 3.54 5.02 -1.26 0.23 118.16 126.81 2pzx n LYS 160 Ca -0.09 0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.12 2pzx n LYS 160 Cb 0.52 -1.73 -0.13 0.00 -0.02 0.00 0.00 35.03 33.68 2pzx n LYS 160 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pzx h ARG 161 N 0.00 0.09 -0.01 1.97 3.08 -1.97 -3.34 114.38 114.21 2pzx h ARG 161 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2pzx h ARG 161 Cb 0.46 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2pzx h ARG 161 CO 0.00 1.05 -0.19 0.39 -1.07 0.00 0.00 179.97 180.15 2pzx n GLU 162 N -3.40 0.96 -3.91 0.04 1.02 0.64 -4.37 120.64 111.62 2pzx n GLU 162 Ca -0.04 -0.53 -0.09 0.00 -0.02 0.00 0.00 57.16 56.48 2pzx n GLU 162 Cb 0.97 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.86 2pzx n GLU 162 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2pzx s TYR 163 N -2.41 0.17 -0.28 -0.32 -0.85 -1.24 -4.16 117.35 108.26 2pzx s TYR 163 Ca 0.28 -0.54 -0.25 0.00 -0.52 0.00 0.00 57.07 56.04 2pzx s TYR 163 Cb 0.20 0.28 0.12 0.00 0.38 0.00 0.00 41.96 42.93 2pzx s TYR 163 CO 0.48 -0.97 1.00 0.00 -1.52 0.00 0.00 175.55 174.53 2pzx s LEU 165 N 0.31 3.61 -0.16 0.00 1.43 0.23 -1.95 118.68 122.15 2pzx s LEU 165 Ca 0.02 0.32 -0.32 0.00 -1.03 0.00 0.00 54.13 53.13 2pzx s LEU 165 Cb -0.05 -3.20 0.14 0.00 0.03 0.00 0.00 46.19 43.11 2pzx s LEU 165 CO -0.06 -0.73 1.11 -1.58 0.23 0.00 0.00 176.35 175.32 2pzx s GLN 166 N -4.59 0.45 0.01 1.70 2.00 -1.09 -1.66 119.66 116.47 2pzx s GLN 166 Ca 0.49 -0.06 -0.30 0.00 -2.00 0.00 0.00 55.36 53.49 2pzx s GLN 166 Cb -0.10 0.21 -0.06 0.00 0.80 0.00 0.00 33.01 33.86 2pzx s GLN 166 CO 0.38 -0.17 1.43 -1.01 -0.50 0.00 0.00 175.29 175.42 2pzx s HIS 167 N -1.99 2.81 -0.03 1.67 3.76 -1.26 -1.60 115.29 118.65 2pzx s HIS 167 Ca 0.05 0.76 0.02 0.00 -0.15 0.00 0.00 55.06 55.74 2pzx s HIS 167 Cb -0.01 -3.70 0.01 0.00 1.11 0.00 0.00 32.58 29.99 2pzx s HIS 167 CO -0.04 -2.63 -0.06 -1.17 -0.85 0.00 0.00 174.74 169.98 2pzx s LEU 168 N 2.38 1.58 -0.10 0.89 0.20 -1.11 0.17 118.68 122.69 2pzx s LEU 168 Ca 0.65 -0.15 -0.30 0.00 0.69 0.00 0.00 54.13 55.03 2pzx s LEU 168 Cb -0.33 -0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.94 2pzx s LEU 168 CO 0.27 0.00 1.35 -0.89 -0.29 0.00 0.00 176.35 176.80 2pzx s THR 169 N 0.53 4.04 0.08 3.68 2.01 -1.26 -2.57 115.64 122.16 2pzx s THR 169 Ca -0.07 1.32 0.01 0.00 0.31 0.00 0.00 61.69 63.25 2pzx s THR 169 Cb -0.11 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.56 2pzx s THR 169 CO 0.00 -0.08 0.08 0.49 -0.69 0.00 0.00 174.62 174.43 2pzx n PHE 170 N 6.26 -1.89 -3.67 4.92 3.01 0.20 -4.98 117.46 121.32 2pzx n PHE 170 Ca 0.14 -0.33 -0.28 0.00 1.01 0.00 0.00 57.45 57.99 2pzx n PHE 170 Cb 0.44 -0.07 -0.16 0.00 -0.01 0.00 0.00 39.48 39.68 2pzx n PHE 170 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pzx s ALA 171 N -2.11 0.90 -1.59 4.37 0.00 -1.26 -3.38 121.76 118.68 2pzx s ALA 171 Ca 0.06 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 2pzx s ALA 171 Cb -0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.77 2pzx s ALA 171 CO 0.04 -1.37 2.87 -0.25 0.00 0.00 0.00 175.76 177.05 2pzx n ASP 172 N 5.10 8.44 0.00 0.00 8.00 -1.25 -4.84 116.55 132.00 2pzx n ASP 172 Ca -0.07 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.80 2pzx n ASP 172 Cb 0.45 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 2pzx n ASP 172 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pzx n GLY 173 N 3.44 1.21 1.41 0.44 0.00 -1.26 -2.29 105.19 108.13 2pzx n GLY 173 Ca 0.76 0.32 0.10 0.00 0.00 0.00 0.00 46.02 47.20 2pzx n GLY 173 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pzx n ASN 174 N 5.35 4.26 0.00 1.61 3.02 -1.26 -4.97 115.26 123.26 2pzx n ASN 174 Ca 0.00 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 2pzx n ASN 174 Cb 0.00 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 2pzx n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pzx n ALA 175 N 1.32 0.00 -3.40 5.41 0.00 -0.97 -5.17 120.51 117.70 2pzx n ALA 175 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.70 2pzx n ALA 175 Cb 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 2pzx n ALA 175 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2pzx s THR 176 N 2.09 -0.64 0.04 0.00 -1.32 -1.26 -3.93 115.64 110.62 2pzx s THR 176 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 2pzx s THR 176 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 2pzx s THR 176 CO 0.00 0.00 -0.10 -0.94 -2.21 0.00 0.00 174.62 171.37 2pzx s SER 177 N 2.65 1.18 -0.17 8.08 1.04 -1.22 -4.92 113.70 120.33 2pzx s SER 177 Ca -0.01 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 2pzx s SER 177 Cb -0.09 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 2pzx s SER 177 CO -0.17 -0.09 -0.02 -0.63 0.98 0.00 0.00 173.24 173.31 2pzx s ILE 178 N -1.07 3.99 -0.01 -1.02 1.01 -1.26 0.59 121.20 123.43 2pzx s ILE 178 Ca -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 2pzx s ILE 178 Cb -0.08 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 2pzx s ILE 178 CO 0.01 0.47 0.06 -0.60 0.00 0.00 0.00 174.94 174.87 2pzx s ARG 179 N 0.58 0.22 -0.01 2.79 3.52 -1.06 -2.90 118.95 122.09 2pzx s ARG 179 Ca -0.02 -0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.10 2pzx s ARG 179 Cb -0.14 0.09 -0.07 0.00 -1.56 0.00 0.00 34.95 33.27 2pzx s ARG 179 CO 0.02 -0.04 1.66 0.42 -0.81 0.00 0.00 175.30 176.55 2pzx s ILE 180 N -0.64 3.38 0.05 4.11 1.01 -1.26 -2.77 121.20 125.09 2pzx s ILE 180 Ca -0.07 0.62 0.09 0.00 0.00 0.00 0.00 60.65 61.29 2pzx s ILE 180 Cb -0.04 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2pzx s ILE 180 CO 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 174.94 174.65 2pzx s ALA 181 N 3.52 2.28 0.81 9.38 0.00 -0.63 -4.89 121.76 132.22 2pzx s ALA 181 Ca 0.74 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.31 2pzx s ALA 181 Cb -0.36 -0.48 0.08 0.00 0.00 0.00 0.00 23.12 22.36 2pzx s ALA 181 CO 0.31 0.54 1.11 -1.25 0.00 0.00 0.00 175.76 176.46 2pzx s PRO 182 N -1.29 1.98 -0.05 0.00 0.04 -1.26 -2.68 135.00 131.74 2pzx s PRO 182 Ca 0.12 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.70 2pzx s PRO 182 Cb -0.10 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2pzx s PRO 182 CO 0.02 -1.67 0.02 -1.01 0.04 0.00 0.00 177.00 174.40 2pzx s HIS 183 N -3.20 0.34 0.32 0.56 3.76 -0.82 -1.49 115.29 114.76 2pzx s HIS 183 Ca 0.61 0.04 0.09 0.00 -0.15 0.00 0.00 55.06 55.65 2pzx s HIS 183 Cb -0.14 -0.57 -0.05 0.00 1.11 0.00 0.00 32.58 32.93 2pzx s HIS 183 CO 0.54 -0.22 0.05 -0.80 -0.85 0.00 0.00 174.74 173.46 2pzx s ASN 184 N 1.76 4.48 -0.19 1.40 -0.87 -0.80 -3.19 114.94 117.54 2pzx s ASN 184 Ca 0.01 -0.80 -0.17 0.00 -1.57 0.00 0.00 52.86 50.33 2pzx s ASN 184 Cb -0.13 -0.71 -0.04 0.00 -0.02 0.00 0.00 41.25 40.36 2pzx s ASN 184 CO -0.03 -0.18 0.44 0.00 -2.57 0.00 0.00 177.10 174.75 2pzx n LEU 186 N 4.44 0.00 0.00 0.00 7.94 -1.26 -4.63 117.00 123.49 2pzx n LEU 186 Ca -0.07 0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2pzx n LEU 186 Cb 0.51 -0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.34 2pzx n LEU 186 CO 0.41 -0.01 0.00 2.30 -1.11 0.00 0.00 177.39 178.98 2pzx n ILE 187 N -1.12 0.00 0.00 1.96 -5.35 -1.26 -5.17 119.36 108.42 2pzx n ILE 187 Ca 0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.67 2pzx n ILE 187 Cb 0.16 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 2pzx n ILE 187 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31