#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrr s ALA 2 N 0.00 4.30 -0.28 7.33 0.00 -1.18 -3.22 121.76 128.72 1zrr s ALA 2 Ca 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 1zrr s ALA 2 Cb 0.00 -1.77 0.13 0.00 0.00 0.00 0.00 23.12 21.49 1zrr s ALA 2 CO 0.00 -0.36 0.57 -1.17 0.00 0.00 0.00 175.76 174.81 1zrr s LEU 3 N -4.43 -1.06 -0.08 0.00 2.96 -1.00 -3.04 118.68 112.03 1zrr s LEU 3 Ca 0.54 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1zrr s LEU 3 Cb -0.10 2.00 -0.02 0.00 0.50 0.00 0.00 46.19 48.57 1zrr s LEU 3 CO 0.34 -0.24 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.10 1zrr s THR 4 N 2.81 3.00 -0.04 3.68 2.01 0.92 -3.55 115.64 124.47 1zrr s THR 4 Ca 0.02 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1zrr s THR 4 Cb -0.13 -2.20 0.01 0.00 0.01 0.00 0.00 72.50 70.18 1zrr s THR 4 CO -0.18 0.57 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.58 1zrr s ILE 5 N -0.29 0.96 0.31 1.82 1.01 -1.11 -0.41 121.20 123.49 1zrr s ILE 5 Ca 0.02 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.29 1zrr s ILE 5 Cb -0.13 -0.87 -0.06 0.00 0.01 0.00 0.00 42.46 41.42 1zrr s ILE 5 CO 0.03 0.30 0.02 -0.36 0.00 0.00 0.00 174.94 174.93 1zrr s PHE 6 N 0.36 1.95 0.72 3.97 0.40 -1.21 -0.84 117.98 123.33 1zrr s PHE 6 Ca -0.07 -0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 55.35 1zrr s PHE 6 Cb -0.12 -1.23 0.11 0.00 0.51 0.00 0.00 43.02 42.29 1zrr s PHE 6 CO 0.02 0.09 1.00 0.45 0.70 0.00 0.00 175.22 177.48 1zrr s SER 7 N -3.47 4.46 0.16 1.36 0.15 -1.22 -2.49 113.70 112.65 1zrr s SER 7 Ca 0.34 -0.06 0.18 0.00 0.70 0.00 0.00 55.95 57.11 1zrr s SER 7 Cb 0.07 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 1zrr s SER 7 CO 0.14 -1.79 1.04 -0.37 1.20 0.00 0.00 173.24 173.46 1zrr h VAL 8 N -0.57 0.40 -0.04 4.45 -1.51 -1.90 -3.35 116.25 113.72 1zrr h VAL 8 Ca -0.40 -1.71 -0.23 0.00 -1.23 0.00 0.00 66.70 63.13 1zrr h VAL 8 Cb 1.28 1.96 0.01 0.00 -2.13 0.00 0.00 31.29 32.40 1zrr h VAL 8 CO 0.46 0.23 -0.92 0.11 -1.23 0.00 0.00 177.57 176.22 1zrr h LYS 9 N 0.00 0.59 -3.72 5.19 1.57 -1.95 -3.44 116.57 114.81 1zrr h LYS 9 Ca -0.08 -0.58 -0.38 0.00 -1.87 0.00 0.00 60.65 57.74 1zrr h LYS 9 Cb 1.36 0.15 -0.35 0.00 0.08 0.00 0.00 32.23 33.47 1zrr h LYS 9 CO 0.03 1.20 -0.75 -0.51 -0.57 0.00 0.00 179.45 178.85 1zrr s ASP 10 N -7.15 0.85 0.04 0.86 1.11 -1.26 -5.04 116.67 106.09 1zrr s ASP 10 Ca -0.08 -0.04 -0.14 0.00 0.18 0.00 0.00 52.55 52.46 1zrr s ASP 10 Cb 0.08 -0.30 -0.34 0.00 1.07 0.00 0.00 42.92 43.43 1zrr s ASP 10 CO 0.89 -0.13 1.03 1.55 1.18 0.00 0.00 175.17 179.69 1zrr h PRO 11 N 7.61 0.51 0.00 8.23 0.13 -1.86 -3.24 132.00 143.38 1zrr h PRO 11 Ca -0.33 -0.86 0.00 0.00 -0.87 0.00 0.00 66.00 63.94 1zrr h PRO 11 Cb 1.13 0.32 0.00 0.00 0.13 0.00 0.00 31.00 32.58 1zrr h PRO 11 CO 0.39 1.41 0.00 0.00 -0.23 0.00 0.00 178.00 179.57 1zrr n GLN 12 N -3.69 0.50 -3.97 0.86 -0.00 -1.26 -4.54 117.38 105.27 1zrr n GLN 12 Ca -0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.50 1zrr n GLN 12 Cb 1.09 -1.02 -0.15 0.00 -0.00 0.00 0.00 30.24 30.17 1zrr n GLN 12 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1zrr s ASN 13 N -1.52 3.99 -0.25 2.61 2.47 -1.23 -5.09 114.94 115.93 1zrr s ASN 13 Ca 0.01 -0.55 -0.09 0.00 0.42 0.00 0.00 52.86 52.64 1zrr s ASN 13 Cb 0.00 -1.66 -0.04 0.00 -1.45 0.00 0.00 41.25 38.11 1zrr s ASN 13 CO 0.01 -0.04 0.13 -0.94 -3.72 0.00 0.00 177.10 172.54 1zrr s SER 14 N 1.40 5.74 0.00 -4.21 1.04 -1.26 -3.42 113.70 112.99 1zrr s SER 14 Ca 0.05 -0.02 0.27 0.00 0.48 0.00 0.00 55.95 56.72 1zrr s SER 14 Cb -0.14 -2.04 0.82 0.00 0.10 0.00 0.00 66.02 64.76 1zrr s SER 14 CO -0.06 0.02 1.61 0.18 0.98 0.00 0.00 173.24 175.97 1zrr n LEU 15 N 4.58 1.14 -3.23 2.42 4.32 -0.02 -4.70 117.00 121.51 1zrr n LEU 15 Ca -0.15 -0.32 -0.02 0.00 -0.02 0.00 0.00 56.01 55.50 1zrr n LEU 15 Cb 0.52 -0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 42.19 1zrr n LEU 15 CO 0.33 0.21 0.04 0.86 -1.22 0.00 0.00 177.39 177.60 1zrr s TRP 16 N -2.39 -1.36 -0.27 -1.77 -0.00 -1.21 -5.01 118.94 106.94 1zrr s TRP 16 Ca 0.27 0.96 0.02 0.00 -0.00 0.00 0.00 56.10 57.36 1zrr s TRP 16 Cb 0.20 0.18 0.06 0.00 -0.00 0.00 0.00 33.47 33.90 1zrr s TRP 16 CO 0.48 -0.94 -0.09 -1.58 -0.00 0.00 0.00 176.95 174.82 1zrr s HIS 17 N 2.70 3.25 0.15 5.86 5.65 -1.26 -2.74 115.29 128.90 1zrr s HIS 17 Ca 0.13 -2.20 -0.24 0.00 0.25 0.00 0.00 55.06 53.00 1zrr s HIS 17 Cb -0.13 -1.97 0.07 0.00 -1.18 0.00 0.00 32.58 29.37 1zrr s HIS 17 CO -0.24 -0.86 0.74 -1.12 -0.65 0.00 0.00 174.74 172.61 1zrr s SER 18 N 1.14 -0.40 -0.43 9.88 0.01 -1.23 -5.08 113.70 117.59 1zrr s SER 18 Ca -0.08 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1zrr s SER 18 Cb -0.20 0.56 0.14 0.00 0.21 0.00 0.00 66.02 66.73 1zrr s SER 18 CO -0.04 -0.96 0.24 -0.89 0.41 0.00 0.00 173.24 171.99 1zrr s THR 19 N -3.58 1.26 0.07 1.44 2.01 -1.26 -2.39 115.64 113.19 1zrr s THR 19 Ca 0.06 -2.49 0.06 0.00 0.31 0.00 0.00 61.69 59.63 1zrr s THR 19 Cb -0.02 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1zrr s THR 19 CO -0.06 -0.92 -0.17 0.20 -0.69 0.00 0.00 174.62 172.99 1zrr s ASN 20 N 0.40 2.02 -0.00 3.53 0.01 -1.20 -4.73 114.94 114.97 1zrr s ASN 20 Ca 0.18 -0.59 -0.09 0.00 -0.71 0.00 0.00 52.86 51.65 1zrr s ASN 20 Cb -0.23 -0.11 -0.31 0.00 0.41 0.00 0.00 41.25 41.01 1zrr s ASN 20 CO -0.00 0.02 0.84 0.00 -1.51 0.00 0.00 177.10 176.44 1zrr h ALA 21 N 4.43 0.11 0.03 0.60 0.00 -1.99 -3.06 119.26 119.38 1zrr h ALA 21 Ca -0.42 -1.05 -0.12 0.00 0.00 0.00 0.00 54.91 53.33 1zrr h ALA 21 Cb 1.18 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1zrr h ALA 21 CO 0.41 0.98 -0.62 0.93 0.00 0.00 0.00 179.25 180.95 1zrr h GLU 22 N 0.10 0.05 0.00 0.00 4.39 -1.99 -3.10 114.58 114.04 1zrr h GLU 22 Ca -0.28 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.33 1zrr h GLU 22 Cb 2.08 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.77 1zrr h GLU 22 CO 0.20 1.04 -0.02 1.49 -1.16 0.00 0.00 179.01 180.56 1zrr h GLU 23 N -0.86 0.00 0.26 2.33 4.81 -1.97 0.58 114.58 119.72 1zrr h GLU 23 Ca -0.15 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1zrr h GLU 23 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1zrr h GLU 23 CO -0.04 0.02 -0.12 0.82 -0.73 0.00 0.00 179.01 178.95 1zrr h ILE 24 N 0.00 0.00 -0.61 2.32 2.04 -1.62 0.21 117.51 119.85 1zrr h ILE 24 Ca -0.00 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1zrr h ILE 24 Cb 0.06 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 1zrr h ILE 24 CO 0.00 0.00 0.34 0.06 0.00 0.00 0.00 178.15 178.56 1zrr h GLN 25 N -0.82 0.85 -0.55 2.37 -0.00 -1.43 2.70 115.11 118.24 1zrr h GLN 25 Ca -0.04 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1zrr h GLN 25 Cb 0.26 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.48 27.55 1zrr h GLN 25 CO 0.06 0.64 0.31 0.37 -0.00 0.00 0.00 178.83 180.20 1zrr h GLN 26 N 0.83 0.76 0.03 0.06 -0.00 0.06 1.54 115.11 118.40 1zrr h GLN 26 Ca 0.22 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.65 58.70 1zrr h GLN 26 Cb 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 27.48 27.36 1zrr h GLN 26 CO -0.04 0.58 -0.34 0.37 0.00 0.00 0.00 178.83 179.40 1zrr h GLN 27 N 0.74 0.18 0.30 1.69 4.15 -0.00 -2.32 115.11 119.85 1zrr h GLN 27 Ca 0.19 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1zrr h GLN 27 Cb 0.04 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1zrr h GLN 27 CO -0.03 1.02 -0.15 1.25 -1.93 0.00 0.00 178.83 178.99 1zrr h LEU 28 N -0.56 -0.35 -2.68 -2.39 5.85 0.48 -2.27 115.31 113.40 1zrr h LEU 28 Ca -0.05 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1zrr h LEU 28 Cb 1.17 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1zrr h LEU 28 CO 0.07 0.00 0.11 -1.13 -0.34 0.00 0.00 178.44 177.14 1zrr h ASN 29 N -0.73 0.00 0.32 1.25 -0.73 0.21 0.35 115.58 116.25 1zrr h ASN 29 Ca -0.04 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.09 1zrr h ASN 29 Cb 0.49 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1zrr h ASN 29 CO 0.07 0.00 -0.20 0.00 -0.37 0.00 0.00 177.43 176.93 1zrr h ALA 30 N 1.79 1.43 -0.27 1.57 0.00 -0.82 -0.81 119.26 122.16 1zrr h ALA 30 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1zrr h ALA 30 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1zrr h ALA 30 CO -0.00 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.13 1zrr n LYS 31 N -3.96 1.97 -0.57 0.00 4.01 0.12 -4.82 118.16 114.91 1zrr n LYS 31 Ca -0.02 -1.11 0.00 0.00 -0.51 0.00 0.00 58.31 56.67 1zrr n LYS 31 Cb 0.28 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zrr n GLY 32 N 0.72 0.89 3.87 0.72 0.00 -0.31 -5.07 105.19 106.01 1zrr n GLY 32 Ca 0.10 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1zrr n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zrr s VAL 33 N -2.00 5.09 0.51 1.61 1.01 -1.19 -4.82 120.40 120.61 1zrr s VAL 33 Ca 0.00 0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 1zrr s VAL 33 Cb 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1zrr s VAL 33 CO 0.00 0.27 0.88 -0.60 0.00 0.00 0.00 175.10 175.65 1zrr s ARG 34 N -1.96 3.65 -0.09 2.72 3.52 -1.26 -4.06 118.95 121.46 1zrr s ARG 34 Ca 0.34 0.51 -0.19 0.00 -0.13 0.00 0.00 55.73 56.25 1zrr s ARG 34 Cb -0.14 -2.26 0.04 0.00 -1.56 0.00 0.00 34.95 31.04 1zrr s ARG 34 CO 0.18 -0.30 0.46 0.12 -0.81 0.00 0.00 175.30 174.96 1zrr s PHE 35 N -2.80 -0.43 0.15 5.12 2.19 -1.26 -4.25 117.98 116.70 1zrr s PHE 35 Ca 0.52 0.89 -0.25 0.00 0.33 0.00 0.00 56.93 58.42 1zrr s PHE 35 Cb -0.10 0.20 0.06 0.00 -1.31 0.00 0.00 43.02 41.87 1zrr s PHE 35 CO 0.44 -0.38 0.92 -1.21 1.83 0.00 0.00 175.22 176.82 1zrr s GLU 36 N -0.61 1.22 -0.20 10.12 2.02 -1.25 -4.97 118.70 125.03 1zrr s GLU 36 Ca -0.07 -0.65 -0.04 0.00 0.02 0.00 0.00 54.97 54.23 1zrr s GLU 36 Cb -0.03 0.43 0.10 0.00 0.10 0.00 0.00 34.13 34.73 1zrr s GLU 36 CO 0.04 -0.56 0.31 1.03 0.02 0.00 0.00 175.26 176.10 1zrr s ARG 37 N -3.35 0.25 0.16 1.61 0.52 -1.26 -3.36 118.95 113.52 1zrr s ARG 37 Ca 0.11 0.56 0.07 0.00 -0.52 0.00 0.00 55.73 55.95 1zrr s ARG 37 Cb -0.02 -0.46 -0.04 0.00 0.52 0.00 0.00 34.95 34.95 1zrr s ARG 37 CO 0.01 -0.50 0.01 -1.58 0.02 0.00 0.00 175.30 173.26 1zrr s TRP 38 N 2.46 2.90 0.06 -0.53 0.51 -1.26 -4.97 118.94 118.11 1zrr s TRP 38 Ca 0.06 -0.11 -0.04 0.00 -2.12 0.00 0.00 56.10 53.90 1zrr s TRP 38 Cb -0.14 -1.42 -0.02 0.00 -0.81 0.00 0.00 33.47 31.08 1zrr s TRP 38 CO -0.12 0.51 0.06 -1.14 -0.51 0.00 0.00 176.95 175.74 1zrr s GLN 39 N -2.84 0.68 0.22 4.98 2.00 -1.26 -4.73 119.66 118.71 1zrr s GLN 39 Ca 0.27 -1.06 0.05 0.00 -2.00 0.00 0.00 55.36 52.62 1zrr s GLN 39 Cb -0.10 0.25 -0.03 0.00 0.80 0.00 0.00 33.01 33.93 1zrr s GLN 39 CO 0.19 -0.17 0.34 0.00 -0.50 0.00 0.00 175.29 175.15 1zrr s ALA 40 N -3.67 3.93 -0.58 1.58 0.00 -1.26 -5.01 121.76 116.74 1zrr s ALA 40 Ca 0.04 -1.20 0.19 0.00 0.00 0.00 0.00 51.96 51.00 1zrr s ALA 40 Cb 0.05 -1.73 -0.24 0.00 0.00 0.00 0.00 23.12 21.20 1zrr s ALA 40 CO -0.09 0.30 0.67 -0.25 0.00 0.00 0.00 175.76 176.39 1zrr n ASP 41 N -1.24 0.75 -4.94 0.00 8.00 -1.26 -4.95 116.55 112.91 1zrr n ASP 41 Ca -0.09 -0.60 -0.24 0.00 0.71 0.00 0.00 54.79 54.57 1zrr n ASP 41 Cb 0.56 1.33 -0.00 0.00 -0.02 0.00 0.00 41.12 42.99 1zrr n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zrr s ARG 42 N -3.01 3.35 -0.28 -1.24 1.70 -1.26 -5.06 118.95 113.14 1zrr s ARG 42 Ca 0.02 -0.32 -0.16 0.00 -0.47 0.00 0.00 55.73 54.80 1zrr s ARG 42 Cb 0.14 -2.59 -0.03 0.00 -0.57 0.00 0.00 34.95 31.90 1zrr s ARG 42 CO 0.80 -0.04 0.41 0.34 -1.08 0.00 0.00 175.30 175.72 1zrr s ASP 43 N -4.11 6.28 0.48 -2.89 -1.08 -1.26 -5.07 116.67 109.03 1zrr s ASP 43 Ca 0.44 0.24 -0.02 0.00 -0.52 0.00 0.00 52.55 52.68 1zrr s ASP 43 Cb -0.10 -2.23 -0.01 0.00 -1.46 0.00 0.00 42.92 39.12 1zrr s ASP 43 CO 0.38 -0.25 0.74 -0.76 0.52 0.00 0.00 175.17 175.80 1zrr s LEU 44 N 2.14 3.57 0.00 -1.34 1.43 -1.26 -5.02 118.68 118.20 1zrr s LEU 44 Ca 0.16 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1zrr s LEU 44 Cb -0.16 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1zrr s LEU 44 CO 0.10 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1zrr n GLY 45 N -2.22 -0.07 3.56 -3.19 0.00 -1.26 -5.04 105.19 96.97 1zrr n GLY 45 Ca 0.01 0.43 -0.40 0.00 0.00 0.00 0.00 46.02 46.07 1zrr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 46 N -1.05 2.66 -0.53 4.61 0.00 -1.26 -4.91 121.76 121.29 1zrr s ALA 46 Ca 0.00 -2.04 0.01 0.00 0.00 0.00 0.00 51.96 49.93 1zrr s ALA 46 Cb 0.00 -4.48 0.14 0.00 0.00 0.00 0.00 23.12 18.78 1zrr s ALA 46 CO 0.00 -3.62 0.29 0.00 0.00 0.00 0.00 175.76 172.43 1zrr s ALA 47 N 5.43 3.34 0.04 0.00 0.00 -1.26 -4.92 121.76 124.39 1zrr s ALA 47 Ca 0.45 -3.15 0.15 0.00 0.00 0.00 0.00 51.96 49.42 1zrr s ALA 47 Cb -0.02 -2.32 0.31 0.00 0.00 0.00 0.00 23.12 21.09 1zrr s ALA 47 CO -0.05 -2.00 1.56 -1.00 0.00 0.00 0.00 175.76 174.27 1zrr h PRO 48 N 6.88 0.00 -6.29 0.00 0.13 -2.06 -3.44 132.00 127.22 1zrr h PRO 48 Ca -0.06 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.44 1zrr h PRO 48 Cb 0.93 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.78 1zrr h PRO 48 CO 0.68 0.52 -0.86 0.95 -0.23 0.00 0.00 178.00 179.05 1zrr s THR 49 N -3.24 1.82 -0.63 1.56 -4.23 -1.26 -5.01 115.64 104.65 1zrr s THR 49 Ca 0.02 -1.08 0.25 0.00 -1.18 0.00 0.00 61.69 59.69 1zrr s THR 49 Cb 0.10 -1.53 0.28 0.00 1.34 0.00 0.00 72.50 72.69 1zrr s THR 49 CO 0.73 0.42 1.68 0.00 -0.54 0.00 0.00 174.62 176.91 1zrr h ALA 50 N 5.30 0.97 -1.03 3.99 0.00 -2.00 -3.30 119.26 123.19 1zrr h ALA 50 Ca -0.42 0.00 0.27 0.00 0.00 0.00 0.00 54.91 54.76 1zrr h ALA 50 Cb 1.14 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.81 1zrr h ALA 50 CO 0.46 0.00 0.62 0.93 0.00 0.00 0.00 179.25 181.26 1zrr h GLU 51 N 0.00 0.45 0.12 0.00 5.08 -1.99 0.67 114.58 118.91 1zrr h GLU 51 Ca 0.00 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.06 1zrr h GLU 51 Cb 0.83 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1zrr h GLU 51 CO 0.00 0.30 -1.21 1.15 -1.00 0.00 0.00 179.01 178.25 1zrr h THR 52 N 0.47 1.48 -0.07 1.13 2.02 -2.00 -2.98 112.91 112.95 1zrr h THR 52 Ca 0.66 -2.96 -0.01 0.00 0.77 0.00 0.00 66.41 64.86 1zrr h THR 52 Cb 1.44 2.88 -0.00 0.00 -1.74 0.00 0.00 68.15 70.73 1zrr h THR 52 CO -0.45 0.87 -0.01 0.58 0.37 0.00 0.00 175.52 176.87 1zrr h VAL 53 N 0.10 1.28 -0.69 3.16 2.07 -0.18 -2.63 116.25 119.36 1zrr h VAL 53 Ca -0.13 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1zrr h VAL 53 Cb 1.93 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 1zrr h VAL 53 CO 0.20 0.24 0.46 0.40 0.02 0.00 0.00 177.57 178.89 1zrr h ILE 54 N -0.19 1.17 -0.04 4.57 2.04 -0.07 -0.17 117.51 124.83 1zrr h ILE 54 Ca 0.02 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1zrr h ILE 54 Cb 0.38 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1zrr h ILE 54 CO 0.01 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.27 1zrr h ALA 55 N 1.57 1.84 0.00 1.87 0.00 -1.35 1.36 119.26 124.56 1zrr h ALA 55 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1zrr h ALA 55 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1zrr h ALA 55 CO -0.06 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1zrr h ALA 56 N 1.90 1.00 -0.00 0.00 0.00 -0.66 -3.17 119.26 118.33 1zrr h ALA 56 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zrr h ALA 56 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1zrr h ALA 56 CO 0.01 0.00 -0.24 0.66 0.00 0.00 0.00 179.25 179.68 1zrr n TYR 57 N -2.68 0.00 -0.34 0.00 4.02 0.01 -4.60 117.16 113.57 1zrr n TYR 57 Ca 0.03 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.11 1zrr n TYR 57 Cb 0.39 0.00 0.43 0.00 -0.02 0.00 0.00 39.34 40.13 1zrr n TYR 57 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1zrr h GLN 58 N 0.19 0.51 -0.64 -0.72 5.75 0.17 0.17 115.11 120.54 1zrr h GLN 58 Ca 0.00 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.60 1zrr h GLN 58 Cb 0.16 -0.11 -0.10 0.00 1.07 0.00 0.00 27.48 28.50 1zrr h GLN 58 CO 0.00 0.34 0.11 1.12 -2.65 0.00 0.00 178.83 177.75 1zrr h HIS 59 N 0.52 0.17 0.85 3.99 2.07 -1.81 2.33 115.15 123.28 1zrr h HIS 59 Ca 0.62 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 58.14 1zrr h HIS 59 Cb 1.31 0.02 0.01 0.00 2.57 0.00 0.00 27.41 31.32 1zrr h HIS 59 CO -0.00 -0.07 -0.41 0.00 -3.07 0.00 0.00 177.93 174.37 1zrr h ALA 60 N 1.53 -1.19 -0.01 6.11 0.00 -1.00 -2.75 119.26 121.95 1zrr h ALA 60 Ca 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1zrr h ALA 60 Cb 0.54 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1zrr h ALA 60 CO -0.46 -1.11 -0.08 -0.84 0.00 0.00 0.00 179.25 176.77 1zrr h ILE 61 N -1.26 1.06 -0.16 0.00 -0.00 -1.25 -0.55 117.51 115.35 1zrr h ILE 61 Ca -0.12 -0.30 0.05 0.00 -0.00 0.00 0.00 64.86 64.49 1zrr h ILE 61 Cb 0.88 1.14 -0.01 0.00 -0.00 0.00 0.00 36.82 38.83 1zrr h ILE 61 CO 0.19 0.09 0.16 -0.78 -0.00 0.00 0.00 178.15 177.81 1zrr h ASP 62 N 0.02 0.00 -0.07 2.16 3.58 0.42 -0.25 116.42 122.28 1zrr h ASP 62 Ca 0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1zrr h ASP 62 Cb 0.15 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.22 1zrr h ASP 62 CO 0.01 0.00 -0.87 0.11 -2.88 0.00 0.00 179.24 175.61 1zrr h LYS 63 N 0.00 0.71 -0.36 0.28 1.57 -0.83 -2.55 116.57 115.39 1zrr h LYS 63 Ca 0.08 -0.68 -0.05 0.00 -1.87 0.00 0.00 60.65 58.14 1zrr h LYS 63 Cb 0.41 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1zrr h LYS 63 CO -0.00 1.27 0.03 -0.07 -0.57 0.00 0.00 179.45 180.11 1zrr h LEU 64 N 0.41 0.51 -0.63 2.94 4.07 -1.09 -2.21 115.31 119.32 1zrr h LEU 64 Ca -0.09 -0.09 -0.15 0.00 0.08 0.00 0.00 57.88 57.63 1zrr h LEU 64 Cb 1.52 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 43.12 1zrr h LEU 64 CO 0.18 0.56 -0.57 0.58 -1.08 0.00 0.00 178.44 178.11 1zrr h VAL 65 N 0.53 1.36 -0.27 1.22 2.07 -1.35 0.40 116.25 120.22 1zrr h VAL 65 Ca 0.12 -1.88 0.06 0.00 0.82 0.00 0.00 66.70 65.82 1zrr h VAL 65 Cb 0.30 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 1zrr h VAL 65 CO 0.01 0.57 -0.17 0.00 0.02 0.00 0.00 177.57 177.99 1zrr h ALA 66 N 1.13 0.02 0.00 1.67 0.00 -0.96 2.24 119.26 123.36 1zrr h ALA 66 Ca -0.00 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1zrr h ALA 66 Cb 1.08 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1zrr h ALA 66 CO 0.10 -0.58 -0.41 0.93 0.00 0.00 0.00 179.25 179.29 1zrr h GLU 67 N -0.15 0.00 -0.60 0.00 4.39 -1.55 -3.33 114.58 113.33 1zrr h GLU 67 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1zrr h GLU 67 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1zrr h GLU 67 CO -0.36 0.99 0.00 1.63 -1.16 0.00 0.00 179.01 180.11 1zrr n LYS 68 N -4.55 2.00 0.00 2.33 5.02 0.13 -4.93 118.16 118.16 1zrr n LYS 68 Ca -0.17 -0.99 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 1zrr n LYS 68 Cb 0.54 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zrr n GLY 69 N 0.50 0.00 3.86 0.72 0.00 0.76 -4.79 105.19 106.24 1zrr n GLY 69 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1zrr n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zrr s TYR 70 N 0.00 3.11 0.00 1.61 1.51 -1.26 -5.03 117.35 117.29 1zrr s TYR 70 Ca 0.00 1.02 0.00 0.00 -1.01 0.00 0.00 57.07 57.08 1zrr s TYR 70 Cb 0.00 -3.16 0.00 0.00 -0.11 0.00 0.00 41.96 38.69 1zrr s TYR 70 CO 0.00 -1.47 0.24 1.04 -1.11 0.00 0.00 175.55 174.25 1zrr n GLN 71 N -3.19 0.00 -4.06 -0.62 3.00 -1.26 -4.86 117.38 106.39 1zrr n GLN 71 Ca 0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.82 1zrr n GLN 71 Cb 0.58 -0.70 -0.04 0.00 0.00 0.00 0.00 30.24 30.07 1zrr n GLN 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1zrr s SER 72 N -1.80 5.74 -0.01 1.08 0.01 -1.23 -4.99 113.70 112.50 1zrr s SER 72 Ca 0.00 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.17 1zrr s SER 72 Cb 0.00 -1.55 -0.00 0.00 0.21 0.00 0.00 66.02 64.68 1zrr s SER 72 CO 0.00 0.01 -0.05 0.86 0.41 0.00 0.00 173.24 174.47 1zrr s TRP 73 N -1.91 0.45 0.10 2.43 -0.11 -1.26 -0.60 118.94 118.03 1zrr s TRP 73 Ca 0.32 -0.09 -0.09 0.00 1.22 0.00 0.00 56.10 57.47 1zrr s TRP 73 Cb -0.09 -0.30 0.03 0.00 -1.50 0.00 0.00 33.47 31.61 1zrr s TRP 73 CO 0.25 -0.02 0.45 -3.47 -4.62 0.00 0.00 176.95 169.54 1zrr n ASP 74 N 3.03 -0.81 -4.39 5.86 4.64 -1.08 -4.94 116.55 118.85 1zrr n ASP 74 Ca -0.14 -1.45 -0.30 0.00 -1.38 0.00 0.00 54.79 51.53 1zrr n ASP 74 Cb 0.58 1.33 -0.13 0.00 -1.04 0.00 0.00 41.12 41.85 1zrr n ASP 74 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1zrr s VAL 75 N -2.38 2.37 -0.32 5.18 -7.23 -1.26 -1.28 120.40 115.47 1zrr s VAL 75 Ca 0.10 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 1zrr s VAL 75 Cb -0.01 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 1zrr s VAL 75 CO 0.03 0.25 0.22 0.27 -0.31 0.00 0.00 175.10 175.56 1zrr s ILE 76 N -0.94 5.25 -0.30 -0.62 -4.36 -0.73 -4.87 121.20 114.63 1zrr s ILE 76 Ca 0.14 -0.13 -0.14 0.00 -0.26 0.00 0.00 60.65 60.26 1zrr s ILE 76 Cb -0.10 -3.65 0.18 0.00 1.25 0.00 0.00 42.46 40.14 1zrr s ILE 76 CO 0.05 0.06 1.08 -0.55 0.24 0.00 0.00 174.94 175.81 1zrr s SER 77 N 1.73 -0.40 0.53 4.36 0.15 -1.26 -3.09 113.70 115.71 1zrr s SER 77 Ca 0.06 0.22 0.09 0.00 0.70 0.00 0.00 55.95 57.02 1zrr s SER 77 Cb -0.17 1.32 0.09 0.00 -1.71 0.00 0.00 66.02 65.55 1zrr s SER 77 CO 0.10 -0.07 0.72 -0.11 1.20 0.00 0.00 173.24 175.08 1zrr n LEU 78 N 5.44 0.00 -4.83 3.45 0.00 -1.26 -4.92 117.00 114.87 1zrr n LEU 78 Ca -0.06 -2.30 -0.36 0.00 0.00 0.00 0.00 56.01 53.29 1zrr n LEU 78 Cb 0.54 -0.37 -0.06 0.00 0.00 0.00 0.00 43.42 43.53 1zrr n LEU 78 CO -0.12 -0.69 0.29 -0.60 0.00 0.00 0.00 177.39 176.27 1zrr s ARG 79 N -4.39 4.10 0.00 1.96 6.06 -1.26 -4.44 118.95 120.98 1zrr s ARG 79 Ca 0.55 0.64 0.05 0.00 -2.50 0.00 0.00 55.73 54.47 1zrr s ARG 79 Cb -0.04 -2.98 0.30 0.00 0.06 0.00 0.00 34.95 32.29 1zrr s ARG 79 CO 0.35 0.49 0.75 0.00 -2.50 0.00 0.00 175.30 174.38 1zrr n ALA 80 N 0.97 1.70 -0.02 6.12 0.00 -1.26 -1.40 120.51 126.62 1zrr n ALA 80 Ca -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 1zrr n ALA 80 Cb 0.51 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 1zrr n ALA 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1zrr n ASP 81 N -0.96 0.52 -4.71 0.00 4.64 -1.26 -4.88 116.55 109.90 1zrr n ASP 81 Ca 0.04 0.24 -0.42 0.00 -1.38 0.00 0.00 54.79 53.26 1zrr n ASP 81 Cb 0.02 0.56 -0.03 0.00 -1.04 0.00 0.00 41.12 40.63 1zrr n ASP 81 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1zrr s ASN 82 N -5.62 6.58 0.00 1.67 2.20 -0.49 -4.87 114.94 114.42 1zrr s ASN 82 Ca -0.06 2.58 0.26 0.00 -0.94 0.00 0.00 52.86 54.70 1zrr s ASN 82 Cb 0.08 -2.58 1.50 0.00 -2.00 0.00 0.00 41.25 38.25 1zrr s ASN 82 CO 0.83 -0.86 1.92 -0.81 -2.94 0.00 0.00 177.10 175.24 1zrr n PRO 83 N 4.65 0.69 -0.14 3.55 -0.04 -1.26 -3.39 135.00 139.05 1zrr n PRO 83 Ca 0.15 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 1zrr n PRO 83 Cb 0.39 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.43 1zrr n PRO 83 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zrr n GLN 84 N -1.09 1.63 0.36 0.54 6.02 -1.26 -4.17 117.38 119.41 1zrr n GLN 84 Ca 0.18 -0.65 -0.18 0.00 -0.01 0.00 0.00 57.00 56.33 1zrr n GLN 84 Cb 0.13 -1.40 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 1zrr n GLN 84 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1zrr h LYS 85 N 0.93 -0.99 -0.27 -1.09 3.11 -1.94 0.36 116.57 116.68 1zrr h LYS 85 Ca 0.00 0.07 -0.06 0.00 -2.81 0.00 0.00 60.65 57.85 1zrr h LYS 85 Cb 0.53 0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 31.97 1zrr h LYS 85 CO 0.06 -0.66 -0.10 0.93 -2.81 0.00 0.00 179.45 176.86 1zrr h GLU 86 N -1.03 0.44 0.76 1.90 5.08 -1.91 -0.85 114.58 118.97 1zrr h GLU 86 Ca -0.08 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1zrr h GLU 86 Cb 0.84 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.05 1zrr h GLU 86 CO 0.06 0.55 -0.36 0.00 -1.00 0.00 0.00 179.01 178.25 1zrr h ALA 87 N 1.48 -1.02 -0.57 3.43 0.00 -1.63 0.17 119.26 121.13 1zrr h ALA 87 Ca 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1zrr h ALA 87 Cb 0.44 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1zrr h ALA 87 CO 0.02 -1.02 0.34 1.25 0.00 0.00 0.00 179.25 179.84 1zrr h LEU 88 N -1.11 0.69 -1.80 0.00 5.85 -0.23 -1.52 115.31 117.18 1zrr h LEU 88 Ca -0.10 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1zrr h LEU 88 Cb 0.80 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1zrr h LEU 88 CO 0.17 0.55 0.05 0.03 -0.34 0.00 0.00 178.44 178.90 1zrr h ARG 89 N 0.77 0.17 0.55 1.25 3.08 -1.08 -2.15 114.38 116.97 1zrr h ARG 89 Ca 0.20 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1zrr h ARG 89 Cb -0.01 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.01 1zrr h ARG 89 CO -0.04 0.15 -0.26 0.93 -1.07 0.00 0.00 179.97 179.68 1zrr h GLU 90 N 0.18 -0.71 -0.81 0.04 5.08 0.37 1.24 114.58 119.97 1zrr h GLU 90 Ca 0.05 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 1zrr h GLU 90 Cb 0.04 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1zrr h GLU 90 CO -0.01 -0.41 0.53 0.87 -1.00 0.00 0.00 179.01 178.99 1zrr h LYS 91 N -1.09 0.47 0.00 2.33 1.57 -1.26 0.28 116.57 118.87 1zrr h LYS 91 Ca -0.08 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1zrr h LYS 91 Cb 0.63 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1zrr h LYS 91 CO 0.12 0.31 -0.69 0.74 -0.57 0.00 0.00 179.45 179.36 1zrr h PHE 92 N 0.48 0.00 -0.80 -1.35 -1.00 -1.30 -3.33 116.94 109.65 1zrr h PHE 92 Ca 0.40 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.26 1zrr h PHE 92 Cb 0.86 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.36 1zrr h PHE 92 CO -0.00 0.00 0.52 1.25 -1.61 0.00 0.00 178.31 178.47 1zrr h LEU 93 N 0.00 0.73 -9.55 1.54 5.85 0.53 -3.38 115.31 111.03 1zrr h LEU 93 Ca 0.00 0.01 -0.59 0.00 0.84 0.00 0.00 57.88 58.14 1zrr h LEU 93 Cb 0.91 -0.14 0.08 0.00 0.37 0.00 0.00 40.66 41.88 1zrr h LEU 93 CO 0.00 0.45 0.60 0.59 -0.34 0.00 0.00 178.44 179.74 1zrr n ASN 94 N -4.50 2.65 -4.64 1.25 5.03 -1.19 -4.61 115.26 109.25 1zrr n ASN 94 Ca 0.13 1.13 -0.30 0.00 0.87 0.00 0.00 54.58 56.41 1zrr n ASN 94 Cb 0.26 -1.41 0.18 0.00 -1.02 0.00 0.00 39.78 37.79 1zrr n ASN 94 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 1zrr s GLU 95 N -0.24 0.60 0.02 3.52 4.04 -1.26 -4.84 118.70 120.53 1zrr s GLU 95 Ca 0.70 1.04 -0.03 0.00 0.04 0.00 0.00 54.97 56.71 1zrr s GLU 95 Cb -0.68 -1.72 0.01 0.00 0.02 0.00 0.00 34.13 31.77 1zrr s GLU 95 CO 0.48 -2.75 0.16 -2.39 -1.84 0.00 0.00 175.26 168.92 1zrr n HIS 96 N -4.26 -0.58 -3.65 4.83 1.44 -0.99 -4.72 115.22 107.29 1zrr n HIS 96 Ca 0.07 -0.17 -0.09 0.00 -2.01 0.00 0.00 57.72 55.53 1zrr n HIS 96 Cb 0.54 0.08 -0.07 0.00 0.12 0.00 0.00 29.99 30.66 1zrr n HIS 96 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1zrr s THR 97 N -2.42 -0.00 0.17 0.61 -4.23 -1.23 -2.56 115.64 105.97 1zrr s THR 97 Ca 0.04 0.01 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 1zrr s THR 97 Cb -0.00 -0.96 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 1zrr s THR 97 CO 0.01 0.00 0.29 -1.00 -0.54 0.00 0.00 174.62 173.38 1zrr s HIS 98 N 1.37 3.46 -1.28 3.99 0.09 -1.26 -3.72 115.29 117.93 1zrr s HIS 98 Ca -0.08 0.08 0.29 0.00 -0.00 0.00 0.00 55.06 55.36 1zrr s HIS 98 Cb -0.05 -1.64 1.39 0.00 -0.00 0.00 0.00 32.58 32.28 1zrr s HIS 98 CO -0.15 0.50 1.99 0.41 -0.00 0.00 0.00 174.74 177.49 1zrr n GLY 99 N -0.69 -1.34 3.53 -2.22 0.00 -1.26 -1.85 105.19 101.36 1zrr n GLY 99 Ca -0.07 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1zrr n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zrr s GLU 100 N -2.72 1.82 0.36 1.61 2.02 -1.26 -4.79 118.70 115.73 1zrr s GLU 100 Ca 0.23 -2.04 -0.26 0.00 0.02 0.00 0.00 54.97 52.91 1zrr s GLU 100 Cb 0.19 -1.09 -0.09 0.00 0.10 0.00 0.00 34.13 33.25 1zrr s GLU 100 CO 0.47 -0.21 1.14 -0.51 0.02 0.00 0.00 175.26 176.17 1zrr s ASP 101 N -3.60 6.80 -0.71 -0.19 1.01 -1.26 -3.91 116.67 114.81 1zrr s ASP 101 Ca 0.32 2.29 -0.13 0.00 0.71 0.00 0.00 52.55 55.74 1zrr s ASP 101 Cb 0.08 -2.61 0.18 0.00 1.01 0.00 0.00 42.92 41.58 1zrr s ASP 101 CO 0.15 -0.48 0.64 -0.70 0.21 0.00 0.00 175.17 174.99 1zrr s GLU 102 N -2.06 3.27 -0.15 8.23 2.12 -0.25 -4.88 118.70 124.98 1zrr s GLU 102 Ca 0.53 -2.23 -0.18 0.00 0.36 0.00 0.00 54.97 53.45 1zrr s GLU 102 Cb -0.30 -4.29 -0.04 0.00 0.26 0.00 0.00 34.13 29.76 1zrr s GLU 102 CO 0.38 -1.28 0.47 0.14 -0.54 0.00 0.00 175.26 174.43 1zrr s VAL 103 N 0.59 5.18 -0.09 3.70 -7.23 -1.26 -1.99 120.40 119.29 1zrr s VAL 103 Ca 0.13 0.90 0.02 0.00 -1.81 0.00 0.00 61.98 61.22 1zrr s VAL 103 Cb -0.17 -3.80 0.02 0.00 0.56 0.00 0.00 36.38 32.98 1zrr s VAL 103 CO -0.05 0.28 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.77 1zrr s ARG 104 N 0.97 1.89 -0.13 4.82 0.52 -0.80 -4.72 118.95 121.50 1zrr s ARG 104 Ca 0.24 -0.45 -0.03 0.00 -0.52 0.00 0.00 55.73 54.97 1zrr s ARG 104 Cb -0.15 -1.63 -0.03 0.00 0.52 0.00 0.00 34.95 33.66 1zrr s ARG 104 CO 0.09 -0.05 -0.03 0.12 0.02 0.00 0.00 175.30 175.45 1zrr s PHE 105 N 0.95 3.05 -0.12 -0.53 2.19 -1.18 -2.48 117.98 119.85 1zrr s PHE 105 Ca -0.08 -0.14 -0.22 0.00 0.33 0.00 0.00 56.93 56.82 1zrr s PHE 105 Cb -0.15 -1.90 -0.03 0.00 -1.31 0.00 0.00 43.02 39.63 1zrr s PHE 105 CO -0.00 0.12 0.65 -0.06 1.83 0.00 0.00 175.22 177.77 1zrr s PHE 106 N -0.04 3.50 -0.13 10.12 2.99 -1.26 -0.17 117.98 132.99 1zrr s PHE 106 Ca 0.02 1.10 0.05 0.00 0.00 0.00 0.00 56.93 58.10 1zrr s PHE 106 Cb -0.13 -2.78 -0.12 0.00 0.00 0.00 0.00 43.02 40.00 1zrr s PHE 106 CO 0.02 -0.00 -0.05 0.28 -0.00 0.00 0.00 175.22 175.48 1zrr n VAL 107 N 4.10 0.81 -3.56 -0.44 0.31 0.34 -4.53 118.33 115.35 1zrr n VAL 107 Ca -0.02 -0.40 -0.16 0.00 -0.01 0.00 0.00 64.34 63.75 1zrr n VAL 107 Cb 0.51 -0.86 -0.06 0.00 -0.91 0.00 0.00 33.84 32.51 1zrr n VAL 107 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1zrr s GLU 108 N -2.28 0.97 0.00 5.55 2.56 -0.79 -4.91 118.70 119.80 1zrr s GLU 108 Ca -0.13 0.50 0.00 0.00 0.00 0.00 0.00 54.97 55.35 1zrr s GLU 108 Cb 0.04 0.46 0.00 0.00 2.00 0.00 0.00 34.13 36.63 1zrr s GLU 108 CO 0.40 -0.25 0.00 0.41 -0.56 0.00 0.00 175.26 175.26 1zrr n GLY 109 N 1.50 -1.96 3.35 -1.50 0.00 -1.26 0.82 105.19 106.15 1zrr n GLY 109 Ca -0.17 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 1zrr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 110 N -2.41 2.14 0.00 4.61 0.00 -1.26 -4.79 121.76 120.06 1zrr s ALA 110 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1zrr s ALA 110 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1zrr s ALA 110 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.49 1zrr n GLY 111 N 0.42 4.91 3.25 0.00 0.00 -1.26 -4.91 105.19 107.59 1zrr n GLY 111 Ca -0.14 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1zrr n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zrr s LEU 112 N 0.00 1.26 -0.41 0.99 2.96 -1.26 -4.69 118.68 117.54 1zrr s LEU 112 Ca 0.00 -0.74 0.01 0.00 -0.22 0.00 0.00 54.13 53.19 1zrr s LEU 112 Cb 0.00 1.08 0.14 0.00 0.50 0.00 0.00 46.19 47.91 1zrr s LEU 112 CO 0.00 -0.79 0.24 -0.36 -1.32 0.00 0.00 176.35 174.12 1zrr s PHE 113 N -3.90 1.41 -0.47 5.38 0.08 -1.12 -4.85 117.98 114.51 1zrr s PHE 113 Ca 0.10 -2.10 -0.29 0.00 0.12 0.00 0.00 56.93 54.76 1zrr s PHE 113 Cb 0.04 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 41.11 1zrr s PHE 113 CO -0.07 -0.80 1.12 0.00 -0.10 0.00 0.00 175.22 175.37 1zrr s LEU 115 N 4.38 3.06 -0.34 0.00 1.02 -0.05 -4.23 118.68 122.52 1zrr s LEU 115 Ca 0.47 -0.97 -0.10 0.00 0.02 0.00 0.00 54.13 53.55 1zrr s LEU 115 Cb -0.07 -1.60 0.01 0.00 0.02 0.00 0.00 46.19 44.55 1zrr s LEU 115 CO 0.31 -0.12 0.17 -2.28 0.02 0.00 0.00 176.35 174.45 1zrr s HIS 116 N 1.26 3.21 -0.16 0.29 2.46 -1.21 -0.82 115.29 120.33 1zrr s HIS 116 Ca -0.01 -0.83 -0.01 0.00 0.47 0.00 0.00 55.06 54.68 1zrr s HIS 116 Cb -0.17 -2.38 0.04 0.00 -0.13 0.00 0.00 32.58 29.94 1zrr s HIS 116 CO -0.06 -0.57 -0.05 0.96 -2.47 0.00 0.00 174.74 172.55 1zrr s ILE 117 N 1.56 1.05 0.00 0.89 -4.36 -1.22 -4.03 121.20 115.10 1zrr s ILE 117 Ca 0.03 -0.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.84 1zrr s ILE 117 Cb -0.18 -1.23 0.00 0.00 1.25 0.00 0.00 42.46 42.30 1zrr s ILE 117 CO 0.06 0.14 0.00 0.61 0.24 0.00 0.00 174.94 175.98 1zrr n GLY 118 N 4.90 0.65 3.20 6.27 0.00 -1.26 -3.84 105.19 115.11 1zrr n GLY 118 Ca -0.12 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1zrr n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zrr n ASP 119 N 2.16 5.14 -3.72 1.61 8.00 -1.26 -4.95 116.55 123.54 1zrr n ASP 119 Ca 0.00 -3.12 -0.04 0.00 0.71 0.00 0.00 54.79 52.34 1zrr n ASP 119 Cb 0.00 -1.24 -0.01 0.00 -0.02 0.00 0.00 41.12 39.84 1zrr n ASP 119 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1zrr s GLU 120 N -1.52 1.13 0.10 -1.24 -1.05 -1.25 -4.62 118.70 110.24 1zrr s GLU 120 Ca 0.30 -0.60 0.06 0.00 -0.15 0.00 0.00 54.97 54.58 1zrr s GLU 120 Cb -0.07 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 33.99 1zrr s GLU 120 CO -0.07 -0.51 -0.16 0.08 0.95 0.00 0.00 175.26 175.54 1zrr s VAL 121 N -3.25 1.33 -0.05 1.83 1.01 -1.04 -3.37 120.40 116.87 1zrr s VAL 121 Ca 0.11 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 60.62 1zrr s VAL 121 Cb -0.01 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1zrr s VAL 121 CO 0.01 -0.24 -0.12 -0.36 0.00 0.00 0.00 175.10 174.38 1zrr s PHE 122 N -1.51 1.38 -0.19 5.22 0.08 0.00 -3.32 117.98 119.63 1zrr s PHE 122 Ca 0.04 -0.46 -0.02 0.00 0.12 0.00 0.00 56.93 56.61 1zrr s PHE 122 Cb -0.08 -1.00 0.06 0.00 -0.57 0.00 0.00 43.02 41.43 1zrr s PHE 122 CO 0.03 -0.22 0.00 -0.65 -0.10 0.00 0.00 175.22 174.28 1zrr s GLN 123 N 0.48 0.97 -0.11 0.44 -0.21 0.46 -0.87 119.66 120.81 1zrr s GLN 123 Ca -0.10 -0.54 -0.05 0.00 0.02 0.00 0.00 55.36 54.68 1zrr s GLN 123 Cb -0.14 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.67 1zrr s GLN 123 CO 0.03 -0.59 0.09 0.08 -2.12 0.00 0.00 175.29 172.77 1zrr s VAL 124 N 1.73 5.06 -0.38 1.09 1.01 -1.19 -0.06 120.40 127.67 1zrr s VAL 124 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1zrr s VAL 124 Cb -0.17 -3.19 0.13 0.00 0.00 0.00 0.00 36.38 33.15 1zrr s VAL 124 CO -0.07 0.61 0.21 -0.76 0.00 0.00 0.00 175.10 175.08 1zrr s LEU 125 N -0.90 1.77 -0.28 3.92 1.02 -1.17 -2.77 118.68 120.28 1zrr s LEU 125 Ca 0.14 -2.29 -0.24 0.00 0.02 0.00 0.00 54.13 51.77 1zrr s LEU 125 Cb -0.12 -0.70 0.11 0.00 0.02 0.00 0.00 46.19 45.50 1zrr s LEU 125 CO 0.03 -0.31 0.92 0.00 0.02 0.00 0.00 176.35 177.02 1zrr s GLU 127 N 0.47 2.89 0.18 0.00 -1.05 -1.26 -4.84 118.70 115.10 1zrr s GLU 127 Ca 0.00 -2.26 0.09 0.00 -0.15 0.00 0.00 54.97 52.65 1zrr s GLU 127 Cb -0.05 -4.03 -0.04 0.00 -0.44 0.00 0.00 34.13 29.56 1zrr s GLU 127 CO -0.06 -1.22 -0.10 0.15 0.95 0.00 0.00 175.26 174.97 1zrr s LYS 128 N 0.47 2.03 0.00 -4.83 1.02 -1.26 -4.96 119.74 112.22 1zrr s LYS 128 Ca 0.14 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.84 1zrr s LYS 128 Cb -0.19 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1zrr s LYS 128 CO -0.04 0.43 0.63 0.09 -0.92 0.00 0.00 175.35 175.53 1zrr n ASN 129 N 0.03 0.00 -4.78 2.83 3.02 -1.26 -4.54 115.26 110.56 1zrr n ASN 129 Ca -0.11 0.14 -0.36 0.00 -0.03 0.00 0.00 54.58 54.23 1zrr n ASN 129 Cb 0.56 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 1zrr n ASN 129 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1zrr s ASP 130 N -2.25 5.99 0.10 6.41 2.15 -1.25 -4.03 116.67 123.78 1zrr s ASP 130 Ca 0.00 2.19 0.06 0.00 0.43 0.00 0.00 52.55 55.23 1zrr s ASP 130 Cb 0.00 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.99 1zrr s ASP 130 CO 0.00 -1.03 -0.06 -1.48 -0.17 0.00 0.00 175.17 172.43 1zrr s LEU 131 N -3.44 3.23 -0.05 -1.34 0.05 -1.21 -4.13 118.68 111.78 1zrr s LEU 131 Ca 0.68 -0.29 0.04 0.00 0.05 0.00 0.00 54.13 54.61 1zrr s LEU 131 Cb -0.25 -1.99 -0.02 0.00 -2.05 0.00 0.00 46.19 41.88 1zrr s LEU 131 CO 0.29 0.18 -0.16 -0.63 -0.55 0.00 0.00 176.35 175.47 1zrr s ILE 132 N -1.25 2.86 0.06 1.48 -1.09 -1.04 -3.89 121.20 118.33 1zrr s ILE 132 Ca 0.23 -0.79 0.09 0.00 -2.23 0.00 0.00 60.65 57.95 1zrr s ILE 132 Cb -0.11 -2.11 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 1zrr s ILE 132 CO 0.16 0.58 -0.25 -0.44 -1.23 0.00 0.00 174.94 173.76 1zrr s SER 133 N -0.56 3.01 -0.08 3.58 0.01 -1.26 -1.90 113.70 116.51 1zrr s SER 133 Ca 0.08 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.77 1zrr s SER 133 Cb -0.11 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 1zrr s SER 133 CO 0.01 0.22 -0.18 -0.69 0.41 0.00 0.00 173.24 173.01 1zrr s VAL 134 N -0.86 2.72 0.57 3.43 1.01 -0.84 -4.08 120.40 122.34 1zrr s VAL 134 Ca 0.11 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 1zrr s VAL 134 Cb -0.10 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1zrr s VAL 134 CO 0.03 0.56 1.29 -2.16 0.00 0.00 0.00 175.10 174.82 1zrr s PRO 135 N -0.22 3.04 0.18 2.72 0.04 -1.26 -1.09 135.00 138.40 1zrr s PRO 135 Ca -0.00 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1zrr s PRO 135 Cb -0.13 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1zrr s PRO 135 CO 0.03 -1.21 1.22 0.00 0.04 0.00 0.00 177.00 177.07 1zrr s ALA 136 N -1.41 3.45 0.00 8.56 0.00 -1.25 -2.81 121.76 128.29 1zrr s ALA 136 Ca 0.74 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1zrr s ALA 136 Cb -0.36 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1zrr s ALA 136 CO 0.41 -0.40 0.00 1.58 0.00 0.00 0.00 175.76 177.35 1zrr n HIS 137 N 2.62 0.00 -3.98 0.00 -0.00 -0.77 -4.93 115.22 108.16 1zrr n HIS 137 Ca 0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.42 1zrr n HIS 137 Cb 0.44 -0.02 -0.11 0.00 -0.00 0.00 0.00 29.99 30.30 1zrr n HIS 137 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1zrr s THR 138 N -2.00 4.53 0.18 3.57 2.01 -1.12 -5.02 115.64 117.79 1zrr s THR 138 Ca 0.00 -0.12 -0.32 0.00 0.31 0.00 0.00 61.69 61.57 1zrr s THR 138 Cb 0.00 -3.06 -0.11 0.00 0.01 0.00 0.00 72.50 69.34 1zrr s THR 138 CO 0.00 0.42 1.60 -2.16 -0.69 0.00 0.00 174.62 173.79 1zrr s PRO 139 N 0.80 4.19 0.08 4.92 0.04 -1.26 -4.65 135.00 139.12 1zrr s PRO 139 Ca 0.03 2.43 -0.27 0.00 0.04 0.00 0.00 61.00 63.23 1zrr s PRO 139 Cb -0.14 -3.13 0.08 0.00 0.04 0.00 0.00 34.50 31.36 1zrr s PRO 139 CO 0.02 -0.64 0.95 -3.38 0.04 0.00 0.00 177.00 173.99 1zrr s HIS 140 N 1.08 -0.21 0.00 0.56 -3.43 -1.06 -3.28 115.29 108.95 1zrr s HIS 140 Ca 0.71 -0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.95 1zrr s HIS 140 Cb -0.45 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 1zrr s HIS 140 CO 0.32 -0.68 0.00 -2.67 -2.00 0.00 0.00 174.74 169.71 1zrr n TRP 141 N -0.38 0.00 -3.46 0.38 2.14 -1.26 -2.36 117.44 112.50 1zrr n TRP 141 Ca -0.07 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.52 1zrr n TRP 141 Cb 0.61 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.06 1zrr n TRP 141 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1zrr s PHE 142 N 1.20 -0.26 -0.06 -2.67 2.19 -1.26 -4.74 117.98 112.37 1zrr s PHE 142 Ca 0.00 0.49 -0.04 0.00 0.33 0.00 0.00 56.93 57.71 1zrr s PHE 142 Cb 0.00 0.16 0.03 0.00 -1.31 0.00 0.00 43.02 41.89 1zrr s PHE 142 CO 0.00 -0.13 0.15 -0.51 1.83 0.00 0.00 175.22 176.56 1zrr s ASP 143 N 1.64 -0.13 -0.18 6.13 -0.00 -1.26 -4.43 116.67 118.44 1zrr s ASP 143 Ca -0.05 0.30 0.16 0.00 -0.00 0.00 0.00 52.55 52.96 1zrr s ASP 143 Cb -0.03 0.25 0.47 0.00 -0.00 0.00 0.00 42.92 43.61 1zrr s ASP 143 CO -0.14 -0.10 1.36 0.23 -0.00 0.00 0.00 175.17 176.53 1zrr n MET 144 N 3.59 2.41 0.00 8.23 2.81 -1.26 -4.48 117.12 128.42 1zrr n MET 144 Ca -0.19 -2.83 0.00 0.00 -1.81 0.00 0.00 57.70 52.86 1zrr n MET 144 Cb 0.56 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1zrr n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1zrr n GLY 145 N -0.80 0.00 3.58 3.03 0.00 -1.26 -2.75 105.19 106.98 1zrr n GLY 145 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1zrr n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zrr s SER 146 N -0.12 6.42 -0.21 1.61 0.15 -1.26 -4.86 113.70 115.43 1zrr s SER 146 Ca 0.00 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.84 1zrr s SER 146 Cb 0.00 -2.31 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1zrr s SER 146 CO 0.00 -0.53 -0.16 -1.83 1.20 0.00 0.00 173.24 171.92 1zrr s GLU 147 N 2.60 2.78 -0.52 5.44 -1.05 -1.11 -4.97 118.70 121.88 1zrr s GLU 147 Ca 0.23 -0.98 0.02 0.00 -0.15 0.00 0.00 54.97 54.09 1zrr s GLU 147 Cb -0.15 -2.71 0.59 0.00 -0.44 0.00 0.00 34.13 31.42 1zrr s GLU 147 CO 0.14 -0.33 1.95 -0.35 0.95 0.00 0.00 175.26 177.62 1zrr n PRO 148 N 4.58 2.40 -1.52 -4.83 -0.04 -1.26 -4.42 135.00 129.91 1zrr n PRO 148 Ca -0.19 -3.11 -0.00 0.00 -0.04 0.00 0.00 63.50 60.17 1zrr n PRO 148 Cb 0.48 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1zrr n PRO 148 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zrr n ASN 149 N -1.07 -2.06 -4.70 3.54 4.05 -1.26 -4.89 115.26 108.87 1zrr n ASN 149 Ca 0.61 -0.00 -0.21 0.00 0.45 0.00 0.00 54.58 55.43 1zrr n ASN 149 Cb 1.33 -0.96 0.09 0.00 1.23 0.00 0.00 39.78 41.47 1zrr n ASN 149 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1zrr n PHE 150 N -1.09 -2.61 -3.36 1.20 -1.74 -1.26 -4.66 117.46 103.93 1zrr n PHE 150 Ca -0.00 -1.91 -0.14 0.00 -0.56 0.00 0.00 57.45 54.84 1zrr n PHE 150 Cb 0.50 -0.62 -0.08 0.00 1.52 0.00 0.00 39.48 40.79 1zrr n PHE 150 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1zrr s THR 151 N -2.77 -0.50 0.32 1.97 2.01 0.24 -4.63 115.64 112.29 1zrr s THR 151 Ca 0.62 -0.40 0.08 0.00 0.31 0.00 0.00 61.69 62.30 1zrr s THR 151 Cb -0.04 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1zrr s THR 151 CO 0.40 -0.39 0.14 0.00 -0.69 0.00 0.00 174.62 174.09 1zrr s ALA 152 N 2.44 3.49 -0.19 7.40 0.00 -1.18 -0.51 121.76 133.21 1zrr s ALA 152 Ca 0.10 -1.74 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 1zrr s ALA 152 Cb -0.13 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1zrr s ALA 152 CO -0.31 0.09 0.01 0.42 0.00 0.00 0.00 175.76 175.97 1zrr s ILE 153 N -2.37 4.18 0.15 0.00 1.01 0.76 -1.78 121.20 123.15 1zrr s ILE 153 Ca 0.37 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1zrr s ILE 153 Cb -0.04 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1zrr s ILE 153 CO 0.23 0.45 -0.03 -0.13 0.00 0.00 0.00 174.94 175.46 1zrr s ARG 154 N 0.69 1.01 0.07 2.79 1.81 -0.41 -3.12 118.95 121.80 1zrr s ARG 154 Ca 0.00 -1.46 0.03 0.00 -1.72 0.00 0.00 55.73 52.59 1zrr s ARG 154 Cb -0.14 -0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.04 1zrr s ARG 154 CO 0.02 -0.07 0.04 0.42 -0.68 0.00 0.00 175.30 175.03 1zrr s ILE 155 N -3.62 4.33 -0.29 1.52 1.09 -1.26 -2.64 121.20 120.34 1zrr s ILE 155 Ca 0.19 -0.82 -0.14 0.00 -1.10 0.00 0.00 60.65 58.78 1zrr s ILE 155 Cb 0.05 -3.06 -0.03 0.00 -1.06 0.00 0.00 42.46 38.36 1zrr s ILE 155 CO 0.01 0.15 0.33 -0.36 -0.10 0.00 0.00 174.94 174.97 1zrr s PHE 156 N -1.33 3.23 0.13 3.97 2.99 0.23 -4.93 117.98 122.26 1zrr s PHE 156 Ca 0.27 0.26 0.02 0.00 0.00 0.00 0.00 56.93 57.47 1zrr s PHE 156 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 43.02 40.30 1zrr s PHE 156 CO 0.20 -0.26 -0.03 0.16 -0.00 0.00 0.00 175.22 175.29 1zrr s ASP 157 N 1.69 1.11 0.27 1.36 3.84 -1.26 -3.51 116.67 120.17 1zrr s ASP 157 Ca 0.13 -1.09 0.00 0.00 -0.00 0.00 0.00 52.55 51.59 1zrr s ASP 157 Cb -0.16 0.12 -0.04 0.00 -1.38 0.00 0.00 42.92 41.46 1zrr s ASP 157 CO 0.11 -0.53 0.46 0.20 -0.00 0.00 0.00 175.17 175.41 1zrr s ASN 158 N -3.10 6.35 -0.04 2.11 0.01 -1.26 -5.03 114.94 113.97 1zrr s ASN 158 Ca 0.18 0.40 -0.24 0.00 -0.71 0.00 0.00 52.86 52.49 1zrr s ASN 158 Cb 0.06 -2.01 -0.18 0.00 0.41 0.00 0.00 41.25 39.53 1zrr s ASN 158 CO -0.01 -0.16 1.03 1.55 -1.51 0.00 0.00 177.10 178.01 1zrr h PRO 159 N 1.37 -0.14 0.00 -0.60 0.13 -2.02 -3.14 132.00 127.60 1zrr h PRO 159 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1zrr h PRO 159 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1zrr h PRO 159 CO 0.64 0.34 0.67 0.93 -0.23 0.00 0.00 178.00 180.35 1zrr h GLU 160 N -0.73 0.00 -0.35 0.86 5.08 -1.99 1.36 114.58 118.80 1zrr h GLU 160 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1zrr h GLU 160 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1zrr h GLU 160 CO 0.02 0.00 -0.44 0.78 -1.00 0.00 0.00 179.01 178.37 1zrr h GLY 161 N 0.00 1.00 -0.60 -3.84 0.00 -1.97 -3.46 103.07 94.21 1zrr h GLY 161 Ca 0.00 -1.07 -0.66 0.00 0.00 0.00 0.00 47.33 45.59 1zrr h GLY 161 CO 0.00 0.97 -0.51 0.66 0.00 0.00 0.00 176.54 177.66 1zrr s TRP 162 N -4.31 1.94 0.18 5.60 -2.14 0.47 -4.64 118.94 116.04 1zrr s TRP 162 Ca -0.11 -0.91 -0.04 0.00 2.66 0.00 0.00 56.10 57.71 1zrr s TRP 162 Cb 0.11 -1.66 -0.05 0.00 -3.10 0.00 0.00 33.47 28.76 1zrr s TRP 162 CO 0.89 0.20 0.41 0.42 -2.66 0.00 0.00 176.95 176.20 1zrr s ILE 163 N -2.84 5.15 0.00 0.66 -1.09 -1.24 -4.91 121.20 116.93 1zrr s ILE 163 Ca 0.12 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 1zrr s ILE 163 Cb 0.02 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1zrr s ILE 163 CO 0.07 -0.08 0.39 0.00 -1.23 0.00 0.00 174.94 174.08 1zrr n ALA 164 N -0.29 -0.14 -2.40 9.38 0.00 -1.26 -3.84 120.51 121.96 1zrr n ALA 164 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1zrr n ALA 164 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 1zrr n ALA 164 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1zrr s GLN 165 N -1.37 1.00 -0.25 0.00 -0.21 -1.26 -3.57 119.66 113.99 1zrr s GLN 165 Ca 0.00 -1.31 -0.00 0.00 0.02 0.00 0.00 55.36 54.07 1zrr s GLN 165 Cb 0.00 -0.70 -0.15 0.00 1.00 0.00 0.00 33.01 33.15 1zrr s GLN 165 CO 0.00 0.11 -0.24 0.34 -2.12 0.00 0.00 175.29 173.39 1zrr n PHE 166 N 0.24 0.00 -0.08 0.91 -0.00 -1.26 -4.69 117.46 112.58 1zrr n PHE 166 Ca -0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.23 1zrr n PHE 166 Cb 0.59 -0.95 -0.11 0.00 -0.00 0.00 0.00 39.48 39.01 1zrr n PHE 166 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1zrr n THR 167 N -3.37 1.00 -0.05 -2.13 -2.24 -1.26 -5.01 114.28 101.23 1zrr n THR 167 Ca -0.45 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 1zrr n THR 167 Cb 0.95 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1zrr n THR 167 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zrr n GLY 168 N 2.24 0.42 3.79 3.38 0.00 -1.26 -5.06 105.19 108.70 1zrr n GLY 168 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1zrr n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zrr s ASP 169 N -2.66 7.22 -0.69 1.61 -0.00 -1.26 -5.02 116.67 115.87 1zrr s ASP 169 Ca 0.00 1.77 -0.04 0.00 -0.00 0.00 0.00 52.55 54.27 1zrr s ASP 169 Cb 0.00 -2.56 0.18 0.00 -0.00 0.00 0.00 42.92 40.54 1zrr s ASP 169 CO 0.00 -0.13 0.53 -1.81 -0.00 0.00 0.00 175.17 173.76 1zrr s ASP 170 N -1.76 5.54 0.36 0.27 -0.00 -1.26 -4.75 116.67 115.07 1zrr s ASP 170 Ca 0.53 -2.93 0.25 0.00 -0.00 0.00 0.00 52.55 50.39 1zrr s ASP 170 Cb -0.16 -1.92 0.62 0.00 -0.00 0.00 0.00 42.92 41.47 1zrr s ASP 170 CO 0.21 -0.38 1.71 -0.29 -0.00 0.00 0.00 175.17 176.42 1zrr h ILE 171 N 5.05 0.00 -0.77 0.77 2.10 -1.95 -3.22 117.51 119.49 1zrr h ILE 171 Ca 0.02 -0.74 0.05 0.00 1.08 0.00 0.00 64.86 65.28 1zrr h ILE 171 Cb 0.95 1.72 -0.05 0.00 -1.09 0.00 0.00 36.82 38.35 1zrr h ILE 171 CO 0.73 0.00 0.47 0.00 -1.08 0.00 0.00 178.15 178.27 1zrr h ALA 172 N 2.19 1.03 0.00 0.18 0.00 -1.89 0.87 119.26 121.65 1zrr h ALA 172 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1zrr h ALA 172 Cb 0.83 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1zrr h ALA 172 CO 0.00 0.21 0.07 0.43 0.00 0.00 0.00 179.25 179.97 1zrr n SER 173 N -4.67 0.00 0.12 0.00 7.64 -1.22 -1.33 113.62 114.16 1zrr n SER 173 Ca 0.10 0.17 -0.23 0.00 1.01 0.00 0.00 58.87 59.92 1zrr n SER 173 Cb 0.14 -0.17 -0.15 0.00 -1.01 0.00 0.00 64.21 63.02 1zrr n SER 173 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zrr h ALA 174 N 1.42 -0.10 -0.32 -0.43 0.00 -1.05 -3.36 119.26 115.43 1zrr h ALA 174 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 54.91 53.99 1zrr h ALA 174 Cb 0.14 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1zrr h ALA 174 CO 0.00 0.65 -0.03 0.66 0.00 0.00 0.00 179.25 180.54 1zrr n TYR 175 N -3.80 1.03 0.32 0.00 4.02 -0.44 -4.79 117.16 113.50 1zrr n TYR 175 Ca -0.15 -1.31 0.20 0.00 -0.01 0.00 0.00 57.90 56.63 1zrr n TYR 175 Cb 1.03 -0.42 1.04 0.00 -0.02 0.00 0.00 39.34 40.97 1zrr n TYR 175 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1zrr h PRO 176 N 1.25 0.00 -5.77 -0.72 0.13 -1.69 -3.41 132.00 121.79 1zrr h PRO 176 Ca 0.14 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.69 1zrr h PRO 176 Cb 1.58 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.63 1zrr h PRO 176 CO 0.33 0.01 0.03 1.03 -0.23 0.00 0.00 178.00 179.16 1zrr s ARG 177 N -4.11 4.31 0.24 0.86 0.52 -1.26 -4.16 118.95 115.35 1zrr s ARG 177 Ca -0.04 0.62 -0.18 0.00 -0.52 0.00 0.00 55.73 55.61 1zrr s ARG 177 Cb 0.12 -3.50 -0.08 0.00 0.52 0.00 0.00 34.95 32.01 1zrr s ARG 177 CO 0.47 -0.04 0.72 -1.17 0.02 0.00 0.00 175.30 175.30 1zrr s LEU 178 N 1.23 4.28 0.00 2.53 2.96 -1.26 -4.93 118.68 123.49 1zrr s LEU 178 Ca 0.30 1.38 0.00 0.00 -0.22 0.00 0.00 54.13 55.58 1zrr s LEU 178 Cb -0.16 -3.68 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1zrr s LEU 178 CO 0.12 -0.01 0.00 0.00 -1.32 0.00 0.00 176.35 175.14