#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 4.33 -0.30 7.33 0.00 -1.20 -3.30 121.76 128.62 1zrr s ALA 2 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 51.96 50.18 1zrr s ALA 2 Cb 0.00 -1.73 0.16 0.00 0.00 0.00 0.00 23.12 21.55 1zrr s ALA 2 CO 0.00 -0.71 0.62 -1.17 0.00 0.00 0.00 175.76 174.51 1zrr s LEU 3 N -4.64 -1.28 -0.13 0.00 2.96 -0.79 -2.72 118.68 112.08 1zrr s LEU 3 Ca 0.59 1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 55.67 1zrr s LEU 3 Cb -0.08 2.23 -0.02 0.00 0.50 0.00 0.00 46.19 48.81 1zrr s LEU 3 CO 0.37 -0.24 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.19 1zrr s THR 4 N 2.88 3.49 -0.05 3.68 2.01 0.80 -3.24 115.64 125.20 1zrr s THR 4 Ca 0.09 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1zrr s THR 4 Cb -0.14 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.89 1zrr s THR 4 CO -0.20 0.52 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.46 1zrr s ILE 5 N 0.17 1.35 0.26 1.82 1.01 -1.09 -0.84 121.20 123.88 1zrr s ILE 5 Ca -0.05 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1zrr s ILE 5 Cb -0.14 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.09 1zrr s ILE 5 CO 0.04 0.39 -0.02 -0.36 0.00 0.00 0.00 174.94 174.99 1zrr s PHE 6 N 0.23 1.77 0.74 3.97 0.40 -0.63 -2.39 117.98 122.07 1zrr s PHE 6 Ca -0.08 -0.82 -0.03 0.00 -0.60 0.00 0.00 56.93 55.40 1zrr s PHE 6 Cb -0.13 -1.03 0.12 0.00 0.51 0.00 0.00 43.02 42.49 1zrr s PHE 6 CO 0.03 0.11 1.02 -1.12 0.70 0.00 0.00 175.22 175.97 1zrr s SER 7 N -3.38 4.30 0.09 1.36 0.01 -1.24 0.45 113.70 115.28 1zrr s SER 7 Ca 0.29 -0.16 0.16 0.00 1.31 0.00 0.00 55.95 57.56 1zrr s SER 7 Cb 0.05 -0.24 -0.12 0.00 0.21 0.00 0.00 66.02 65.92 1zrr s SER 7 CO 0.11 -1.90 0.90 -0.37 0.41 0.00 0.00 173.24 172.39 1zrr h VAL 8 N -0.64 0.56 -0.20 3.43 -1.51 -1.88 -3.36 116.25 112.65 1zrr h VAL 8 Ca -0.39 -2.05 -0.19 0.00 -1.23 0.00 0.00 66.70 62.84 1zrr h VAL 8 Cb 1.27 2.09 0.01 0.00 -2.13 0.00 0.00 31.29 32.53 1zrr h VAL 8 CO 0.43 0.32 -0.64 0.11 -1.23 0.00 0.00 177.57 176.56 1zrr h LYS 9 N 0.00 0.78 -3.63 5.19 1.57 -1.95 -3.44 116.57 115.09 1zrr h LYS 9 Ca -0.14 -0.58 -0.38 0.00 -1.87 0.00 0.00 60.65 57.68 1zrr h LYS 9 Cb 1.57 0.10 -0.36 0.00 0.08 0.00 0.00 32.23 33.62 1zrr h LYS 9 CO 0.05 1.19 -0.75 0.34 -0.57 0.00 0.00 179.45 179.71 1zrr s ASP 10 N -6.96 0.97 0.09 0.86 -1.08 -1.26 -5.02 116.67 104.27 1zrr s ASP 10 Ca -0.11 -0.02 0.08 0.00 -0.52 0.00 0.00 52.55 51.98 1zrr s ASP 10 Cb 0.09 -0.28 -0.21 0.00 -1.46 0.00 0.00 42.92 41.06 1zrr s ASP 10 CO 0.89 -0.16 1.17 1.55 0.52 0.00 0.00 175.17 179.14 1zrr h PRO 11 N 7.85 0.00 0.00 4.34 0.13 -1.85 -3.28 132.00 139.18 1zrr h PRO 11 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.78 1zrr h PRO 11 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1zrr h PRO 11 CO 0.33 0.90 -0.31 0.37 -0.23 0.00 0.00 178.00 179.07 1zrr h GLN 12 N 0.00 0.00 -5.25 0.86 4.15 -1.95 -3.41 115.11 109.50 1zrr h GLN 12 Ca -0.06 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.74 1zrr h GLN 12 Cb 1.81 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 29.36 1zrr h GLN 12 CO 0.12 0.31 -0.17 -0.80 -1.93 0.00 0.00 178.83 176.36 1zrr s ASN 13 N -6.57 6.33 -0.12 -0.69 0.01 -1.25 -5.05 114.94 107.61 1zrr s ASN 13 Ca -0.02 0.39 -0.14 0.00 -0.71 0.00 0.00 52.86 52.38 1zrr s ASN 13 Cb 0.13 -2.23 -0.05 0.00 0.41 0.00 0.00 41.25 39.51 1zrr s ASN 13 CO 0.68 -0.19 0.33 -0.94 -1.51 0.00 0.00 177.10 175.46 1zrr s SER 14 N 1.51 6.54 0.01 -1.22 1.04 -1.26 -3.95 113.70 116.37 1zrr s SER 14 Ca 0.17 0.64 0.25 0.00 0.48 0.00 0.00 55.95 57.49 1zrr s SER 14 Cb -0.16 -2.20 0.54 0.00 0.10 0.00 0.00 66.02 64.30 1zrr s SER 14 CO 0.09 0.16 1.44 0.18 0.98 0.00 0.00 173.24 176.09 1zrr n LEU 15 N 3.11 0.48 -3.18 2.42 4.32 -1.00 -4.73 117.00 118.41 1zrr n LEU 15 Ca -0.12 0.04 0.02 0.00 -0.02 0.00 0.00 56.01 55.92 1zrr n LEU 15 Cb 0.52 -0.26 -0.02 0.00 -1.62 0.00 0.00 43.42 42.04 1zrr n LEU 15 CO 0.39 0.11 0.10 0.86 -1.22 0.00 0.00 177.39 177.63 1zrr s TRP 16 N -3.01 -1.56 -0.21 -1.77 -0.00 -1.23 -5.06 118.94 106.10 1zrr s TRP 16 Ca 0.11 1.31 0.02 0.00 -0.00 0.00 0.00 56.10 57.54 1zrr s TRP 16 Cb 0.17 0.37 0.03 0.00 -0.00 0.00 0.00 33.47 34.05 1zrr s TRP 16 CO 0.69 -0.94 -0.17 -1.58 -0.00 0.00 0.00 176.95 174.96 1zrr s HIS 17 N 2.79 2.96 0.21 5.86 5.65 -1.26 -2.68 115.29 128.81 1zrr s HIS 17 Ca 0.16 -1.89 -0.23 0.00 0.25 0.00 0.00 55.06 53.34 1zrr s HIS 17 Cb -0.13 -1.92 0.05 0.00 -1.18 0.00 0.00 32.58 29.39 1zrr s HIS 17 CO -0.23 -0.83 0.75 -1.12 -0.65 0.00 0.00 174.74 172.65 1zrr s SER 18 N 1.22 -0.33 -0.45 9.88 0.01 -1.20 -5.08 113.70 117.75 1zrr s SER 18 Ca -0.00 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.90 1zrr s SER 18 Cb -0.16 0.63 0.14 0.00 0.21 0.00 0.00 66.02 66.85 1zrr s SER 18 CO -0.10 -1.12 0.27 0.28 0.41 0.00 0.00 173.24 172.97 1zrr s THR 19 N -3.70 1.37 -0.02 1.44 -1.32 -1.26 -1.88 115.64 110.26 1zrr s THR 19 Ca 0.08 -2.66 0.05 0.00 -1.21 0.00 0.00 61.69 57.96 1zrr s THR 19 Cb -0.04 -1.95 -0.01 0.00 -1.51 0.00 0.00 72.50 68.99 1zrr s THR 19 CO 0.00 -0.94 -0.18 0.20 -2.21 0.00 0.00 174.62 171.49 1zrr s ASN 20 N 0.21 2.13 0.03 8.08 0.01 -1.21 -4.75 114.94 119.45 1zrr s ASN 20 Ca 0.20 -0.33 -0.04 0.00 -0.71 0.00 0.00 52.86 51.97 1zrr s ASN 20 Cb -0.20 -0.30 -0.28 0.00 0.41 0.00 0.00 41.25 40.88 1zrr s ASN 20 CO -0.03 0.21 0.97 0.00 -1.51 0.00 0.00 177.10 176.74 1zrr h ALA 21 N 5.78 0.19 0.00 0.60 0.00 -1.98 -2.82 119.26 121.03 1zrr h ALA 21 Ca -0.36 -1.02 -0.06 0.00 0.00 0.00 0.00 54.91 53.47 1zrr h ALA 21 Cb 1.15 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1zrr h ALA 21 CO 0.48 1.06 -0.33 1.05 0.00 0.00 0.00 179.25 181.51 1zrr h GLU 22 N 0.07 0.00 0.00 0.00 4.11 -1.98 -3.16 114.58 113.62 1zrr h GLU 22 Ca -0.20 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1zrr h GLU 22 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1zrr h GLU 22 CO 0.18 1.00 0.00 1.49 0.07 0.00 0.00 179.01 181.76 1zrr h GLU 23 N -0.99 0.00 0.30 1.06 4.22 -1.98 -2.61 114.58 114.58 1zrr h GLU 23 Ca -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 1zrr h GLU 23 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1zrr h GLU 23 CO -0.05 0.00 -0.14 0.82 -2.18 0.00 0.00 179.01 177.45 1zrr h ILE 24 N 0.00 0.47 -0.50 2.32 2.04 -1.54 -2.05 117.51 118.24 1zrr h ILE 24 Ca 0.00 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 65.13 1zrr h ILE 24 Cb 0.15 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1zrr h ILE 24 CO 0.00 0.11 0.09 0.06 0.00 0.00 0.00 178.15 178.41 1zrr h GLN 25 N -0.97 0.21 0.00 2.37 3.07 -1.44 0.93 115.11 119.28 1zrr h GLN 25 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 1zrr h GLN 25 Cb 0.49 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.00 1zrr h GLN 25 CO 0.07 0.14 -0.10 0.37 0.09 0.00 0.00 178.83 179.39 1zrr h GLN 26 N 0.22 0.00 0.21 0.06 4.15 -1.55 0.65 115.11 118.84 1zrr h GLN 26 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1zrr h GLN 26 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1zrr h GLN 26 CO -0.34 0.10 -0.10 0.37 -1.93 0.00 0.00 178.83 176.94 1zrr h GLN 27 N 0.00 -0.27 -0.09 1.69 5.75 -0.06 -2.40 115.11 119.73 1zrr h GLN 27 Ca -0.00 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 1zrr h GLN 27 Cb 0.24 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1zrr h GLN 27 CO 0.01 -0.18 -0.18 1.37 -2.65 0.00 0.00 178.83 177.21 1zrr h LEU 28 N -0.47 0.32 -2.06 -2.39 8.10 -1.52 -2.85 115.31 114.45 1zrr h LEU 28 Ca -0.03 -0.56 0.11 0.00 0.11 0.00 0.00 57.88 57.52 1zrr h LEU 28 Cb 0.21 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.33 1zrr h LEU 28 CO 0.05 0.82 0.35 0.78 -4.11 0.00 0.00 178.44 176.32 1zrr h ASN 29 N -0.17 0.00 0.21 0.17 -0.26 -0.98 1.44 115.58 115.99 1zrr h ASN 29 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 1zrr h ASN 29 Cb 0.76 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.02 1zrr h ASN 29 CO 0.04 0.00 -0.09 0.00 -1.06 0.00 0.00 177.43 176.32 1zrr h ALA 30 N 1.67 1.43 -0.41 -0.83 0.00 -1.17 0.28 119.26 120.23 1zrr h ALA 30 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1zrr h ALA 30 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1zrr h ALA 30 CO -0.00 0.11 0.00 0.36 0.00 0.00 0.00 179.25 179.72 1zrr n LYS 31 N -3.82 2.06 -0.23 0.00 -0.00 0.49 -4.87 118.16 111.79 1zrr n LYS 31 Ca -0.02 -1.63 0.00 0.00 -0.00 0.00 0.00 58.31 56.66 1zrr n LYS 31 Cb 0.18 -1.38 0.00 0.00 -0.00 0.00 0.00 35.03 33.83 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1zrr n GLY 32 N 1.25 1.37 3.87 2.58 0.00 0.96 -5.00 105.19 110.22 1zrr n GLY 32 Ca 0.16 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 0.46 1.61 1.01 -1.04 -4.34 120.40 121.19 1zrr s VAL 33 Ca 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 1zrr s VAL 33 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1zrr s VAL 33 CO 0.00 0.27 0.85 -0.60 0.00 0.00 0.00 175.10 175.62 1zrr s ARG 34 N -1.97 3.76 -0.07 2.72 3.52 -0.91 -3.94 118.95 122.06 1zrr s ARG 34 Ca 0.34 0.56 -0.20 0.00 -0.13 0.00 0.00 55.73 56.31 1zrr s ARG 34 Cb -0.14 -2.30 0.04 0.00 -1.56 0.00 0.00 34.95 31.00 1zrr s ARG 34 CO 0.18 -0.17 0.46 0.12 -0.81 0.00 0.00 175.30 175.08 1zrr s PHE 35 N -2.57 -0.41 0.01 5.12 2.19 -1.26 -3.96 117.98 117.10 1zrr s PHE 35 Ca 0.53 0.79 -0.29 0.00 0.33 0.00 0.00 56.93 58.29 1zrr s PHE 35 Cb -0.10 0.20 0.11 0.00 -1.31 0.00 0.00 43.02 41.92 1zrr s PHE 35 CO 0.36 -0.41 1.24 -2.00 1.83 0.00 0.00 175.22 176.24 1zrr s GLU 36 N -0.83 0.54 -0.20 10.12 2.56 -1.25 -4.95 118.70 124.68 1zrr s GLU 36 Ca -0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 54.97 54.54 1zrr s GLU 36 Cb -0.03 0.18 0.10 0.00 2.00 0.00 0.00 34.13 36.38 1zrr s GLU 36 CO 0.05 -0.25 0.30 1.03 -0.56 0.00 0.00 175.26 175.83 1zrr s ARG 37 N -2.48 0.25 0.19 4.30 0.52 -1.26 -3.37 118.95 117.10 1zrr s ARG 37 Ca 0.16 0.46 0.08 0.00 -0.52 0.00 0.00 55.73 55.91 1zrr s ARG 37 Cb 0.03 -0.66 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 1zrr s ARG 37 CO -0.02 -0.56 -0.00 -1.58 0.02 0.00 0.00 175.30 173.15 1zrr s TRP 38 N 2.44 2.82 0.09 -0.53 0.51 -1.25 -4.95 118.94 118.06 1zrr s TRP 38 Ca 0.08 -0.15 -0.05 0.00 -2.12 0.00 0.00 56.10 53.86 1zrr s TRP 38 Cb -0.15 -1.35 -0.02 0.00 -0.81 0.00 0.00 33.47 31.14 1zrr s TRP 38 CO -0.13 0.53 0.10 1.14 -0.51 0.00 0.00 176.95 178.08 1zrr s GLN 39 N -3.03 0.82 0.21 4.98 -2.07 -1.26 -4.63 119.66 114.67 1zrr s GLN 39 Ca 0.28 -1.17 0.04 0.00 -1.82 0.00 0.00 55.36 52.69 1zrr s GLN 39 Cb -0.09 0.28 -0.03 0.00 -1.09 0.00 0.00 33.01 32.08 1zrr s GLN 39 CO 0.19 -0.23 0.34 0.00 -1.32 0.00 0.00 175.29 174.26 1zrr s ALA 40 N -3.93 3.94 -0.47 2.60 0.00 -1.26 -5.00 121.76 117.64 1zrr s ALA 40 Ca 0.11 -1.15 0.19 0.00 0.00 0.00 0.00 51.96 51.10 1zrr s ALA 40 Cb 0.06 -1.76 -0.25 0.00 0.00 0.00 0.00 23.12 21.18 1zrr s ALA 40 CO -0.07 0.34 0.61 -0.25 0.00 0.00 0.00 175.76 176.39 1zrr n ASP 41 N -1.10 0.77 -4.95 0.00 10.43 -1.26 -4.95 116.55 115.49 1zrr n ASP 41 Ca -0.08 -0.49 -0.24 0.00 2.57 0.00 0.00 54.79 56.55 1zrr n ASP 41 Cb 0.56 1.41 0.01 0.00 1.84 0.00 0.00 41.12 44.94 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1zrr s ARG 42 N -3.01 3.14 -0.26 -1.24 6.06 -1.26 -5.06 118.95 117.31 1zrr s ARG 42 Ca 0.00 -0.40 -0.14 0.00 -2.50 0.00 0.00 55.73 52.70 1zrr s ARG 42 Cb 0.13 -2.54 -0.04 0.00 0.06 0.00 0.00 34.95 32.56 1zrr s ARG 42 CO 0.77 -0.24 0.32 0.16 -2.50 0.00 0.00 175.30 173.82 1zrr s ASP 43 N -4.19 6.21 0.50 -2.12 -4.77 -1.26 -5.07 116.67 105.96 1zrr s ASP 43 Ca 0.47 0.23 -0.02 0.00 -3.30 0.00 0.00 52.55 49.94 1zrr s ASP 43 Cb -0.10 -2.19 0.00 0.00 -1.09 0.00 0.00 42.92 39.54 1zrr s ASP 43 CO 0.38 -0.13 0.75 -0.76 0.70 0.00 0.00 175.17 176.11 1zrr s LEU 44 N 1.89 3.51 0.00 2.11 1.43 -1.26 -5.04 118.68 121.32 1zrr s LEU 44 Ca 0.13 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1zrr s LEU 44 Cb -0.16 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1zrr s LEU 44 CO 0.10 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 176.46 1zrr n GLY 45 N -2.24 0.72 3.56 -3.19 0.00 -1.26 -5.04 105.19 97.74 1zrr n GLY 45 Ca 0.03 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.08 2.69 -0.50 4.61 0.00 -1.26 -4.90 121.76 121.31 1zrr s ALA 46 Ca 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 51.96 49.83 1zrr s ALA 46 Cb 0.00 -4.50 0.13 0.00 0.00 0.00 0.00 23.12 18.74 1zrr s ALA 46 CO 0.00 -3.62 0.25 0.00 0.00 0.00 0.00 175.76 172.39 1zrr s ALA 47 N 5.18 3.28 -0.07 0.00 0.00 -1.26 -4.93 121.76 123.97 1zrr s ALA 47 Ca 0.46 -3.12 0.28 0.00 0.00 0.00 0.00 51.96 49.57 1zrr s ALA 47 Cb -0.01 -2.22 0.92 0.00 0.00 0.00 0.00 23.12 21.81 1zrr s ALA 47 CO -0.07 -1.97 1.82 -1.00 0.00 0.00 0.00 175.76 174.54 1zrr h PRO 48 N 6.83 0.00 -6.04 0.00 0.13 -2.06 -3.44 132.00 127.42 1zrr h PRO 48 Ca -0.06 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.47 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 0.67 0.06 -0.85 0.95 -0.23 0.00 0.00 178.00 178.59 1zrr s THR 49 N -3.49 1.64 -0.40 1.56 -4.23 -1.26 -5.01 115.64 104.45 1zrr s THR 49 Ca 0.03 -0.99 0.22 0.00 -1.18 0.00 0.00 61.69 59.77 1zrr s THR 49 Cb 0.08 -1.39 0.30 0.00 1.34 0.00 0.00 72.50 72.83 1zrr s THR 49 CO 0.61 0.37 1.58 0.00 -0.54 0.00 0.00 174.62 176.64 1zrr h ALA 50 N 5.37 0.95 -1.15 3.99 0.00 -2.00 -3.30 119.26 123.12 1zrr h ALA 50 Ca -0.40 -0.05 0.38 0.00 0.00 0.00 0.00 54.91 54.84 1zrr h ALA 50 Cb 1.15 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1zrr h ALA 50 CO 0.46 0.07 0.70 1.49 0.00 0.00 0.00 179.25 181.98 1zrr h GLU 51 N 0.00 0.16 0.14 0.00 4.81 -1.99 1.54 114.58 119.25 1zrr h GLU 51 Ca -0.00 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 1zrr h GLU 51 Cb 1.04 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.40 1zrr h GLU 51 CO 0.01 0.11 -1.26 1.79 -0.73 0.00 0.00 179.01 178.93 1zrr h THR 52 N 0.17 1.43 -0.20 0.32 1.35 -2.00 -2.98 112.91 111.00 1zrr h THR 52 Ca 0.78 -2.88 -0.04 0.00 -0.55 0.00 0.00 66.41 63.72 1zrr h THR 52 Cb 2.17 2.89 -0.01 0.00 -1.73 0.00 0.00 68.15 71.47 1zrr h THR 52 CO -0.52 0.85 -0.04 0.58 -0.25 0.00 0.00 175.52 176.13 1zrr h VAL 53 N 0.12 1.28 -0.40 6.82 2.07 0.17 -2.76 116.25 123.54 1zrr h VAL 53 Ca -0.16 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1zrr h VAL 53 Cb 1.96 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1zrr h VAL 53 CO 0.22 0.31 0.22 0.40 0.02 0.00 0.00 177.57 178.73 1zrr h ILE 54 N 0.11 1.13 0.00 4.57 1.08 0.20 -0.32 117.51 124.28 1zrr h ILE 54 Ca 0.05 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 64.16 1zrr h ILE 54 Cb 0.49 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1zrr h ILE 54 CO 0.02 0.14 -0.12 0.00 -0.69 0.00 0.00 178.15 177.50 1zrr h ALA 55 N 1.68 1.73 0.00 1.87 0.00 -1.33 2.36 119.26 125.57 1zrr h ALA 55 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1zrr h ALA 55 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1zrr h ALA 55 CO -0.02 0.15 -0.18 0.00 0.00 0.00 0.00 179.25 179.20 1zrr h ALA 56 N 1.88 0.90 0.00 0.00 0.00 -0.83 -3.27 119.26 117.94 1zrr h ALA 56 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1zrr h ALA 56 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1zrr h ALA 56 CO 0.02 0.22 -0.50 0.66 0.00 0.00 0.00 179.25 179.64 1zrr n TYR 57 N -3.16 0.00 -0.34 0.00 4.01 -0.31 -4.55 117.16 112.81 1zrr n TYR 57 Ca 0.03 0.00 0.25 0.00 -0.16 0.00 0.00 57.90 58.02 1zrr n TYR 57 Cb 0.57 -0.01 0.52 0.00 -0.31 0.00 0.00 39.34 40.11 1zrr n TYR 57 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1zrr h GLN 58 N 0.00 0.34 -0.47 -0.72 1.08 0.39 0.25 115.11 115.98 1zrr h GLN 58 Ca 0.00 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.26 1zrr h GLN 58 Cb 0.24 -0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.53 1zrr h GLN 58 CO 0.00 0.23 0.06 1.12 -0.95 0.00 0.00 178.83 179.28 1zrr h HIS 59 N 0.35 0.08 0.78 2.96 2.07 -1.80 2.12 115.15 121.71 1zrr h HIS 59 Ca 0.64 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 58.16 1zrr h HIS 59 Cb 1.67 0.04 0.01 0.00 2.57 0.00 0.00 27.41 31.70 1zrr h HIS 59 CO -0.00 -0.04 -0.37 0.00 -3.07 0.00 0.00 177.93 174.44 1zrr h ALA 60 N 1.39 -1.05 0.00 6.11 0.00 -0.82 -2.58 119.26 122.31 1zrr h ALA 60 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1zrr h ALA 60 Cb 0.33 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1zrr h ALA 60 CO -0.34 -1.06 -0.16 -0.84 0.00 0.00 0.00 179.25 176.85 1zrr h ILE 61 N -1.10 0.74 -0.07 0.00 -0.00 -1.25 -1.61 117.51 114.21 1zrr h ILE 61 Ca -0.11 -0.65 0.02 0.00 -0.00 0.00 0.00 64.86 64.12 1zrr h ILE 61 Cb 0.81 1.40 -0.00 0.00 -0.00 0.00 0.00 36.82 39.03 1zrr h ILE 61 CO 0.18 0.16 0.09 -0.78 -0.00 0.00 0.00 178.15 177.79 1zrr h ASP 62 N 0.00 0.00 0.12 2.16 3.58 0.39 0.16 116.42 122.83 1zrr h ASP 62 Ca -0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 1zrr h ASP 62 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1zrr h ASP 62 CO 0.02 0.00 -1.19 0.50 -2.88 0.00 0.00 179.24 175.69 1zrr h LYS 63 N 0.00 0.25 -0.23 0.28 3.64 -1.10 -2.69 116.57 116.73 1zrr h LYS 63 Ca 0.04 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1zrr h LYS 63 Cb 0.21 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1zrr h LYS 63 CO -0.00 1.21 0.02 1.25 -2.27 0.00 0.00 179.45 179.66 1zrr h LEU 64 N -0.35 0.38 -1.36 5.20 6.46 -1.31 -2.59 115.31 121.73 1zrr h LEU 64 Ca -0.25 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.16 1zrr h LEU 64 Cb 1.70 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.52 1zrr h LEU 64 CO 0.08 0.57 -0.32 1.62 -0.62 0.00 0.00 178.44 179.77 1zrr h VAL 65 N 0.18 1.19 -0.67 1.05 3.04 -0.87 -2.18 116.25 118.00 1zrr h VAL 65 Ca 0.07 -1.11 0.09 0.00 -1.01 0.00 0.00 66.70 64.74 1zrr h VAL 65 Cb 0.36 1.60 -0.07 0.00 -2.01 0.00 0.00 31.29 31.17 1zrr h VAL 65 CO 0.01 0.31 0.32 0.00 -1.01 0.00 0.00 177.57 177.20 1zrr h ALA 66 N 1.68 0.90 0.00 3.17 0.00 -1.10 2.17 119.26 126.08 1zrr h ALA 66 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1zrr h ALA 66 Cb 0.58 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1zrr h ALA 66 CO 0.04 -0.08 -0.05 0.93 0.00 0.00 0.00 179.25 180.10 1zrr h GLU 67 N 0.56 0.00 -0.44 0.00 5.08 -1.48 -3.31 114.58 114.98 1zrr h GLU 67 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1zrr h GLU 67 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1zrr h GLU 67 CO -0.26 0.85 0.00 1.63 -1.00 0.00 0.00 179.01 180.23 1zrr n LYS 68 N -4.63 1.63 0.00 2.33 5.02 -0.84 -4.93 118.16 116.75 1zrr n LYS 68 Ca -0.09 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 55.48 1zrr n LYS 68 Cb 0.42 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 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 0.57 0.00 3.84 0.72 0.00 0.73 -4.80 105.19 106.26 1zrr n GLY 69 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 3.05 0.00 1.61 1.51 -1.26 -5.02 117.35 117.24 1zrr s TYR 70 Ca 0.00 1.07 0.00 0.00 -1.01 0.00 0.00 57.07 57.13 1zrr s TYR 70 Cb 0.00 -3.13 0.00 0.00 -0.11 0.00 0.00 41.96 38.72 1zrr s TYR 70 CO 0.00 -1.52 0.02 1.04 -1.11 0.00 0.00 175.55 173.98 1zrr n GLN 71 N -3.25 0.00 -3.78 -0.62 6.02 -1.22 -4.84 117.38 109.70 1zrr n GLN 71 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.86 1zrr n GLN 71 Cb 0.57 -0.52 -0.02 0.00 1.02 0.00 0.00 30.24 31.29 1zrr n GLN 71 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1zrr s SER 72 N -2.14 5.83 0.00 1.08 0.15 -1.23 -4.94 113.70 112.45 1zrr s SER 72 Ca 0.00 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1zrr s SER 72 Cb 0.00 -1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 62.95 1zrr s SER 72 CO 0.00 -0.26 -0.04 0.86 1.20 0.00 0.00 173.24 175.00 1zrr s TRP 73 N -2.15 0.38 0.00 3.44 -0.11 -1.26 -0.16 118.94 119.08 1zrr s TRP 73 Ca 0.39 -0.12 0.00 0.00 1.22 0.00 0.00 56.10 57.59 1zrr s TRP 73 Cb -0.08 -0.24 0.00 0.00 -1.50 0.00 0.00 33.47 31.65 1zrr s TRP 73 CO 0.29 -0.02 0.00 -3.47 -4.62 0.00 0.00 176.95 169.13 1zrr n ASP 74 N 2.80 0.00 -4.51 5.86 4.64 -1.06 -4.96 116.55 119.32 1zrr n ASP 74 Ca -0.14 -0.74 -0.24 0.00 -1.38 0.00 0.00 54.79 52.29 1zrr n ASP 74 Cb 0.58 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 40.56 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 -2.26 1.65 -0.11 5.18 -7.23 -1.26 -1.19 120.40 115.19 1zrr s VAL 75 Ca 0.00 -2.05 -0.15 0.00 -1.81 0.00 0.00 61.98 57.97 1zrr s VAL 75 Cb 0.00 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 1zrr s VAL 75 CO 0.00 -0.09 0.36 -0.63 -0.31 0.00 0.00 175.10 174.43 1zrr s ILE 76 N -2.98 5.22 0.50 -0.62 1.01 -0.22 -4.82 121.20 119.29 1zrr s ILE 76 Ca 0.34 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1zrr s ILE 76 Cb 0.07 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.87 1zrr s ILE 76 CO 0.15 0.43 0.72 -0.94 0.00 0.00 0.00 174.94 175.31 1zrr s SER 77 N 0.06 5.59 -0.04 3.58 1.04 -1.26 -3.55 113.70 119.12 1zrr s SER 77 Ca 0.21 0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.51 1zrr s SER 77 Cb -0.14 -1.26 0.11 0.00 0.10 0.00 0.00 66.02 64.83 1zrr s SER 77 CO 0.08 -0.90 0.97 -0.76 0.98 0.00 0.00 173.24 173.61 1zrr s LEU 78 N -4.66 -0.30 0.00 2.42 1.43 -1.26 -4.99 118.68 111.33 1zrr s LEU 78 Ca 0.52 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1zrr s LEU 78 Cb -0.10 1.87 -0.01 0.00 0.03 0.00 0.00 46.19 47.98 1zrr s LEU 78 CO 0.38 -0.54 -0.10 -0.60 0.23 0.00 0.00 176.35 175.72 1zrr s ARG 79 N -2.96 0.79 0.00 1.70 6.06 -1.26 -4.62 118.95 118.66 1zrr s ARG 79 Ca 0.06 -0.44 0.15 0.00 -2.50 0.00 0.00 55.73 53.01 1zrr s ARG 79 Cb -0.01 -0.76 0.88 0.00 0.06 0.00 0.00 34.95 35.13 1zrr s ARG 79 CO -0.08 0.20 1.33 0.00 -2.50 0.00 0.00 175.30 174.25 1zrr n ALA 80 N 2.61 2.03 0.06 6.12 0.00 -1.26 -1.97 120.51 128.10 1zrr n ALA 80 Ca -0.15 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.21 1zrr n ALA 80 Cb 0.56 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 1zrr n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1zrr n ASP 81 N -1.04 1.18 -4.68 0.00 10.43 -1.26 -4.95 116.55 116.24 1zrr n ASP 81 Ca 0.11 -0.41 -0.42 0.00 2.57 0.00 0.00 54.79 56.64 1zrr n ASP 81 Cb 0.06 1.02 -0.03 0.00 1.84 0.00 0.00 41.12 44.01 1zrr n ASP 81 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1zrr s ASN 82 N -1.41 6.52 0.00 -2.24 2.47 -0.83 -4.87 114.94 114.59 1zrr s ASN 82 Ca 0.00 2.59 0.32 0.00 0.42 0.00 0.00 52.86 56.19 1zrr s ASN 82 Cb 0.01 -2.56 1.80 0.00 -1.45 0.00 0.00 41.25 39.06 1zrr s ASN 82 CO 0.07 -0.96 2.18 -0.81 -3.72 0.00 0.00 177.10 173.86 1zrr n PRO 83 N 6.06 0.84 -0.12 0.43 -0.04 -1.26 -3.65 135.00 137.27 1zrr n PRO 83 Ca 0.17 -0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.64 1zrr n PRO 83 Cb 0.40 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.08 1.50 0.49 0.54 6.02 -1.26 -4.14 117.38 119.47 1zrr n GLN 84 Ca 0.21 -0.49 -0.19 0.00 -0.01 0.00 0.00 57.00 56.52 1zrr n GLN 84 Cb 0.15 -1.42 -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 1.57 -1.01 0.00 0.00 177.06 177.62 1zrr h LYS 85 N 0.68 -1.22 -0.13 -1.09 2.10 -1.96 -1.56 116.57 113.39 1zrr h LYS 85 Ca 0.00 0.08 -0.05 0.00 -2.00 0.00 0.00 60.65 58.68 1zrr h LYS 85 Cb 0.52 0.28 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1zrr h LYS 85 CO 0.05 -0.81 -0.16 1.05 -2.00 0.00 0.00 179.45 177.58 1zrr h GLU 86 N -1.33 0.20 0.93 0.07 4.11 -1.89 -1.94 114.58 114.74 1zrr h GLU 86 Ca -0.13 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.21 1zrr h GLU 86 Cb 0.97 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.20 1zrr h GLU 86 CO 0.21 0.36 -0.45 0.00 0.07 0.00 0.00 179.01 179.20 1zrr h ALA 87 N 1.65 -1.27 -0.64 1.06 0.00 -1.72 0.06 119.26 118.41 1zrr h ALA 87 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1zrr h ALA 87 Cb 0.40 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1zrr h ALA 87 CO 0.02 -1.21 0.33 -0.07 0.00 0.00 0.00 179.25 178.32 1zrr h LEU 88 N -1.26 0.81 -2.09 0.00 3.38 -1.23 -1.96 115.31 112.95 1zrr h LEU 88 Ca -0.13 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1zrr h LEU 88 Cb 0.97 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1zrr h LEU 88 CO 0.21 0.69 0.03 0.03 0.09 0.00 0.00 178.44 179.49 1zrr h ARG 89 N 0.87 0.00 0.73 1.13 3.08 -1.24 -2.67 114.38 116.28 1zrr h ARG 89 Ca 0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 1zrr h ARG 89 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.13 1zrr h ARG 89 CO -0.03 0.00 -0.35 1.49 -1.07 0.00 0.00 179.97 180.00 1zrr h GLU 90 N 0.00 -0.95 -0.93 0.04 4.81 -0.17 1.11 114.58 118.49 1zrr h GLU 90 Ca 0.02 0.06 0.23 0.00 -0.13 0.00 0.00 59.36 59.54 1zrr h GLU 90 Cb 0.09 0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 1zrr h GLU 90 CO -0.00 -0.62 0.62 0.87 -0.73 0.00 0.00 179.01 179.15 1zrr h LYS 91 N -1.24 0.32 0.00 1.92 1.57 -1.43 0.55 116.57 118.27 1zrr h LYS 91 Ca -0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1zrr h LYS 91 Cb 0.77 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1zrr h LYS 91 CO 0.17 0.21 -0.72 0.74 -0.57 0.00 0.00 179.45 179.28 1zrr h PHE 92 N 0.33 0.00 -0.68 -1.35 -1.00 -1.28 -3.33 116.94 109.64 1zrr h PHE 92 Ca 0.49 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.38 1zrr h PHE 92 Cb 1.34 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.85 1zrr h PHE 92 CO -0.00 0.00 0.45 1.25 -1.61 0.00 0.00 178.31 178.40 1zrr h LEU 93 N 0.00 0.43 -9.78 1.54 5.85 0.67 -3.26 115.31 110.76 1zrr h LEU 93 Ca 0.00 0.01 -0.53 0.00 0.84 0.00 0.00 57.88 58.21 1zrr h LEU 93 Cb 0.89 -0.08 0.07 0.00 0.37 0.00 0.00 40.66 41.91 1zrr h LEU 93 CO 0.00 0.25 0.81 0.20 -0.34 0.00 0.00 178.44 179.36 1zrr s ASN 94 N -6.13 6.53 0.86 1.25 -0.87 -1.21 -4.53 114.94 110.84 1zrr s ASN 94 Ca -0.08 2.79 -0.11 0.00 -1.57 0.00 0.00 52.86 53.89 1zrr s ASN 94 Cb 0.20 -2.63 0.11 0.00 -0.02 0.00 0.00 41.25 38.91 1zrr s ASN 94 CO 0.76 -0.79 1.09 -1.61 -2.57 0.00 0.00 177.10 173.98 1zrr s GLU 95 N -0.50 1.52 0.00 -0.60 2.02 -1.26 -4.79 118.70 115.08 1zrr s GLU 95 Ca 0.61 0.83 0.00 0.00 0.02 0.00 0.00 54.97 56.42 1zrr s GLU 95 Cb -0.44 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1zrr s GLU 95 CO 0.46 -2.06 0.00 -2.39 0.02 0.00 0.00 175.26 171.29 1zrr n HIS 96 N -3.76 -0.14 -3.64 1.61 1.44 -0.99 -4.47 115.22 105.27 1zrr n HIS 96 Ca 0.07 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.70 1zrr n HIS 96 Cb 0.55 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.59 1zrr n HIS 96 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 1zrr s THR 97 N -2.25 0.00 0.16 0.61 -1.32 -1.25 -2.41 115.64 109.17 1zrr s THR 97 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 1zrr s THR 97 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1zrr s THR 97 CO 0.00 0.00 0.13 -1.00 -2.21 0.00 0.00 174.62 171.54 1zrr s HIS 98 N 0.85 3.14 -1.36 9.09 0.09 -1.26 -1.98 115.29 123.85 1zrr s HIS 98 Ca -0.03 -0.02 0.26 0.00 -0.00 0.00 0.00 55.06 55.27 1zrr s HIS 98 Cb -0.05 -1.51 1.29 0.00 -0.00 0.00 0.00 32.58 32.31 1zrr s HIS 98 CO -0.10 0.52 1.88 0.41 -0.00 0.00 0.00 174.74 177.45 1zrr n GLY 99 N -0.28 -1.19 3.53 -2.22 0.00 -1.19 -1.85 105.19 101.99 1zrr n GLY 99 Ca -0.08 -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 -2.64 1.80 0.35 1.61 2.02 -1.26 -4.78 118.70 115.80 1zrr s GLU 100 Ca 0.23 -2.01 -0.26 0.00 0.02 0.00 0.00 54.97 52.95 1zrr s GLU 100 Cb 0.17 -1.24 -0.09 0.00 0.10 0.00 0.00 34.13 33.08 1zrr s GLU 100 CO 0.41 -0.12 1.07 0.16 0.02 0.00 0.00 175.26 176.80 1zrr s ASP 101 N -3.59 6.96 -0.63 -0.19 -4.77 -1.26 -3.91 116.67 109.27 1zrr s ASP 101 Ca 0.36 2.13 -0.08 0.00 -3.30 0.00 0.00 52.55 51.66 1zrr s ASP 101 Cb 0.09 -2.60 0.16 0.00 -1.09 0.00 0.00 42.92 39.49 1zrr s ASP 101 CO 0.17 -0.35 0.50 -0.70 0.70 0.00 0.00 175.17 175.48 1zrr s GLU 102 N -2.07 2.81 -0.12 2.11 2.12 -1.01 -4.96 118.70 117.58 1zrr s GLU 102 Ca 0.52 -2.28 -0.15 0.00 0.36 0.00 0.00 54.97 53.42 1zrr s GLU 102 Cb -0.26 -3.97 -0.05 0.00 0.26 0.00 0.00 34.13 30.11 1zrr s GLU 102 CO 0.33 -1.21 0.36 0.54 -0.54 0.00 0.00 175.26 174.73 1zrr s VAL 103 N 0.42 5.24 -0.07 3.70 0.11 -1.26 -3.12 120.40 125.41 1zrr s VAL 103 Ca 0.14 0.69 0.01 0.00 -2.93 0.00 0.00 61.98 59.89 1zrr s VAL 103 Cb -0.19 -3.69 0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1zrr s VAL 103 CO -0.04 0.41 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.92 1zrr s ARG 104 N 0.22 1.46 -0.14 1.54 0.52 -1.19 -4.60 118.95 116.76 1zrr s ARG 104 Ca 0.20 -0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 55.08 1zrr s ARG 104 Cb -0.14 -1.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.97 1zrr s ARG 104 CO 0.07 -0.08 -0.04 0.12 0.02 0.00 0.00 175.30 175.39 1zrr s PHE 105 N 1.03 3.03 -0.12 -0.53 2.19 -1.17 -3.14 117.98 119.27 1zrr s PHE 105 Ca -0.08 -0.22 -0.25 0.00 0.33 0.00 0.00 56.93 56.72 1zrr s PHE 105 Cb -0.15 -1.91 -0.02 0.00 -1.31 0.00 0.00 43.02 39.63 1zrr s PHE 105 CO -0.00 0.05 0.78 -0.06 1.83 0.00 0.00 175.22 177.82 1zrr s PHE 106 N 0.11 3.49 -0.17 10.12 0.08 -1.26 -0.41 117.98 129.94 1zrr s PHE 106 Ca -0.01 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1zrr s PHE 106 Cb -0.14 -2.93 -0.11 0.00 -0.57 0.00 0.00 43.02 39.28 1zrr s PHE 106 CO 0.03 -0.11 -0.16 0.28 -0.10 0.00 0.00 175.22 175.16 1zrr n VAL 107 N 4.35 0.96 -3.69 -0.44 0.31 -0.69 -4.60 118.33 114.54 1zrr n VAL 107 Ca 0.02 -0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 63.86 1zrr n VAL 107 Cb 0.50 -1.17 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 1zrr n VAL 107 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1zrr s GLU 108 N -2.33 0.65 0.00 5.55 2.02 -1.07 -4.95 118.70 118.57 1zrr s GLU 108 Ca -0.23 0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.43 1zrr s GLU 108 Cb 0.06 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1zrr s GLU 108 CO 0.38 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.97 1zrr n GLY 109 N 2.61 0.04 3.56 -1.39 0.00 -1.26 0.79 105.19 109.54 1zrr n GLY 109 Ca -0.14 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.00 2.90 0.00 4.61 0.00 -1.26 -4.82 121.76 120.19 1zrr s ALA 110 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1zrr s ALA 110 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1zrr s ALA 110 CO 0.00 0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.76 1zrr n GLY 111 N 0.56 4.34 3.30 0.00 0.00 -1.26 -4.84 105.19 107.29 1zrr n GLY 111 Ca -0.13 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 1.05 -0.39 0.99 2.96 -1.26 -4.82 118.68 117.22 1zrr s LEU 112 Ca 0.00 -0.76 0.01 0.00 -0.22 0.00 0.00 54.13 53.16 1zrr s LEU 112 Cb 0.00 1.21 0.13 0.00 0.50 0.00 0.00 46.19 48.03 1zrr s LEU 112 CO 0.00 -0.84 0.21 -0.36 -1.32 0.00 0.00 176.35 174.04 1zrr s PHE 113 N -3.92 1.33 0.38 5.38 0.08 -1.20 -4.95 117.98 115.08 1zrr s PHE 113 Ca 0.12 -1.97 -0.24 0.00 0.12 0.00 0.00 56.93 54.96 1zrr s PHE 113 Cb 0.04 -1.40 -0.10 0.00 -0.57 0.00 0.00 43.02 40.99 1zrr s PHE 113 CO -0.04 -0.81 0.99 0.00 -0.10 0.00 0.00 175.22 175.25 1zrr s LEU 115 N -2.53 -0.39 -0.35 0.00 1.43 0.16 -4.75 118.68 112.25 1zrr s LEU 115 Ca 0.56 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 1zrr s LEU 115 Cb -0.18 0.69 0.00 0.00 0.03 0.00 0.00 46.19 46.73 1zrr s LEU 115 CO 0.23 -0.37 0.22 -2.28 0.23 0.00 0.00 176.35 174.38 1zrr s HIS 116 N 2.42 3.22 -0.06 0.29 2.46 -1.17 -0.52 115.29 121.93 1zrr s HIS 116 Ca 0.10 -0.53 -0.00 0.00 0.47 0.00 0.00 55.06 55.09 1zrr s HIS 116 Cb -0.14 -2.46 0.03 0.00 -0.13 0.00 0.00 32.58 29.88 1zrr s HIS 116 CO -0.30 -0.49 -0.02 -1.50 -2.47 0.00 0.00 174.74 169.97 1zrr s ILE 117 N 1.65 0.45 0.00 0.89 1.10 -1.21 -3.68 121.20 120.40 1zrr s ILE 117 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.19 1zrr s ILE 117 Cb -0.18 -0.54 0.00 0.00 0.15 0.00 0.00 42.46 41.89 1zrr s ILE 117 CO 0.08 0.24 0.00 0.61 -2.11 0.00 0.00 174.94 173.76 1zrr n GLY 118 N 4.60 1.28 3.10 1.50 0.00 -1.26 -3.57 105.19 110.84 1zrr n GLY 118 Ca -0.16 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 1.60 4.45 -3.68 1.61 8.00 -1.26 -4.98 116.55 122.30 1zrr n ASP 119 Ca 0.00 -3.15 -0.06 0.00 0.71 0.00 0.00 54.79 52.29 1zrr n ASP 119 Cb 0.00 -1.08 -0.02 0.00 -0.02 0.00 0.00 41.12 40.00 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 -1.50 1.21 -0.01 -1.24 -1.05 -1.23 -4.30 118.70 110.57 1zrr s GLU 120 Ca 0.29 -0.61 0.06 0.00 -0.15 0.00 0.00 54.97 54.56 1zrr s GLU 120 Cb -0.06 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.07 1zrr s GLU 120 CO -0.11 -0.55 -0.18 0.08 0.95 0.00 0.00 175.26 175.45 1zrr s VAL 121 N -3.39 1.45 -0.08 1.83 1.01 0.17 -3.30 120.40 118.09 1zrr s VAL 121 Ca 0.09 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1zrr s VAL 121 Cb -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1zrr s VAL 121 CO -0.01 0.37 -0.19 -0.36 0.00 0.00 0.00 175.10 174.91 1zrr s PHE 122 N -0.48 2.06 -0.08 5.22 0.40 0.32 -1.60 117.98 123.81 1zrr s PHE 122 Ca 0.07 -0.78 -0.03 0.00 -0.60 0.00 0.00 56.93 55.59 1zrr s PHE 122 Cb -0.07 -1.41 0.04 0.00 0.51 0.00 0.00 43.02 42.10 1zrr s PHE 122 CO -0.00 -0.32 0.12 -0.65 0.70 0.00 0.00 175.22 175.06 1zrr s GLN 123 N 0.38 0.00 0.02 0.44 -0.21 -0.02 0.37 119.66 120.64 1zrr s GLN 123 Ca -0.15 0.42 -0.01 0.00 0.02 0.00 0.00 55.36 55.65 1zrr s GLN 123 Cb -0.16 -0.54 -0.04 0.00 1.00 0.00 0.00 33.01 33.27 1zrr s GLN 123 CO 0.06 -0.37 0.15 0.14 -2.12 0.00 0.00 175.29 173.15 1zrr s VAL 124 N 2.24 5.14 -0.57 1.09 -7.23 -1.12 -0.14 120.40 119.79 1zrr s VAL 124 Ca 0.04 -0.35 0.04 0.00 -1.81 0.00 0.00 61.98 59.91 1zrr s VAL 124 Cb -0.13 -3.42 0.16 0.00 0.56 0.00 0.00 36.38 33.56 1zrr s VAL 124 CO -0.05 0.27 0.41 -0.22 -0.31 0.00 0.00 175.10 175.19 1zrr s LEU 125 N -2.06 3.46 -0.30 1.32 2.96 -1.10 -3.25 118.68 119.71 1zrr s LEU 125 Ca 0.28 -3.43 -0.14 0.00 -0.22 0.00 0.00 54.13 50.62 1zrr s LEU 125 Cb -0.12 -1.18 0.15 0.00 0.50 0.00 0.00 46.19 45.53 1zrr s LEU 125 CO 0.20 -0.14 0.88 0.00 -1.32 0.00 0.00 176.35 175.97 1zrr s GLU 127 N 2.29 2.49 0.43 0.00 1.03 -1.26 -4.99 118.70 118.68 1zrr s GLU 127 Ca -0.05 -1.43 0.07 0.00 0.03 0.00 0.00 54.97 53.59 1zrr s GLU 127 Cb -0.07 -3.61 -0.04 0.00 -0.80 0.00 0.00 34.13 29.61 1zrr s GLU 127 CO -0.18 -0.87 0.19 0.15 -1.33 0.00 0.00 175.26 173.23 1zrr s LYS 128 N 1.35 2.23 0.00 -4.83 -0.14 -1.26 -4.95 119.74 112.15 1zrr s LYS 128 Ca 0.02 -1.88 0.00 0.00 -1.36 0.00 0.00 55.97 52.75 1zrr s LYS 128 Cb -0.22 -1.98 0.00 0.00 -1.68 0.00 0.00 37.83 33.96 1zrr s LYS 128 CO 0.01 -0.17 0.62 0.09 -0.76 0.00 0.00 175.35 175.14 1zrr n ASN 129 N -1.28 0.00 -4.80 2.83 5.03 -1.26 -4.63 115.26 111.15 1zrr n ASN 129 Ca -0.02 0.14 -0.33 0.00 0.87 0.00 0.00 54.58 55.24 1zrr n ASN 129 Cb 0.65 -0.14 0.01 0.00 -1.02 0.00 0.00 39.78 39.27 1zrr n ASN 129 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1zrr s ASP 130 N -2.24 5.74 0.26 6.41 3.84 -1.26 -3.92 116.67 125.51 1zrr s ASP 130 Ca 0.00 1.87 0.10 0.00 -0.00 0.00 0.00 52.55 54.52 1zrr s ASP 130 Cb 0.00 -2.54 -0.05 0.00 -1.38 0.00 0.00 42.92 38.95 1zrr s ASP 130 CO 0.00 -1.19 -0.15 -1.48 -0.00 0.00 0.00 175.17 172.35 1zrr s LEU 131 N -4.41 2.58 -0.06 2.11 0.05 -1.22 -4.13 118.68 113.61 1zrr s LEU 131 Ca 0.65 -1.07 0.01 0.00 0.05 0.00 0.00 54.13 53.77 1zrr s LEU 131 Cb -0.17 -0.89 0.02 0.00 -2.05 0.00 0.00 46.19 43.10 1zrr s LEU 131 CO 0.35 -0.11 -0.08 -0.63 -0.55 0.00 0.00 176.35 175.33 1zrr s ILE 132 N -2.74 0.83 -0.04 1.48 1.09 -1.19 -3.81 121.20 116.82 1zrr s ILE 132 Ca 0.28 -0.27 0.05 0.00 -1.10 0.00 0.00 60.65 59.61 1zrr s ILE 132 Cb -0.01 -0.81 -0.01 0.00 -1.06 0.00 0.00 42.46 40.56 1zrr s ILE 132 CO 0.12 0.30 -0.20 -0.55 -0.10 0.00 0.00 174.94 174.51 1zrr s SER 133 N 0.99 2.50 0.05 3.58 0.15 -1.25 -3.17 113.70 116.54 1zrr s SER 133 Ca -0.09 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.16 1zrr s SER 133 Cb -0.15 -0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 63.49 1zrr s SER 133 CO 0.00 0.20 0.11 0.68 1.20 0.00 0.00 173.24 175.43 1zrr s VAL 134 N -0.10 4.81 0.72 4.45 -7.23 -1.18 -2.15 120.40 119.72 1zrr s VAL 134 Ca -0.02 -0.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.46 1zrr s VAL 134 Cb -0.12 -3.29 0.03 0.00 0.56 0.00 0.00 36.38 33.56 1zrr s VAL 134 CO 0.02 0.20 1.10 -2.16 -0.31 0.00 0.00 175.10 173.94 1zrr s PRO 135 N -2.22 2.53 0.19 4.82 0.04 -1.26 -2.40 135.00 136.70 1zrr s PRO 135 Ca 0.29 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1zrr s PRO 135 Cb -0.12 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1zrr s PRO 135 CO 0.21 -1.44 1.17 0.00 0.04 0.00 0.00 177.00 176.98 1zrr s ALA 136 N -2.69 3.42 0.00 8.56 0.00 -1.25 -2.92 121.76 126.88 1zrr s ALA 136 Ca 0.63 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1zrr s ALA 136 Cb -0.18 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1zrr s ALA 136 CO 0.50 -0.33 0.00 -2.39 0.00 0.00 0.00 175.76 173.54 1zrr n HIS 137 N 2.36 0.00 -3.61 0.00 1.44 -0.77 -4.93 115.22 109.71 1zrr n HIS 137 Ca 0.04 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.38 1zrr n HIS 137 Cb 0.45 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.47 1zrr n HIS 137 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1zrr s THR 138 N -2.28 5.33 0.21 0.61 2.01 -1.15 -5.00 115.64 115.38 1zrr s THR 138 Ca 0.00 0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.99 1zrr s THR 138 Cb 0.00 -3.55 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 1zrr s THR 138 CO 0.00 0.33 1.48 -2.16 -0.69 0.00 0.00 174.62 173.59 1zrr s PRO 139 N 1.05 4.25 0.05 4.92 0.04 -1.24 -4.65 135.00 139.43 1zrr s PRO 139 Ca 0.10 2.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.18 1zrr s PRO 139 Cb -0.14 -3.13 0.09 0.00 0.04 0.00 0.00 34.50 31.36 1zrr s PRO 139 CO 0.05 -0.49 0.94 -3.38 0.04 0.00 0.00 177.00 174.15 1zrr s HIS 140 N 0.48 -0.25 0.00 0.56 -3.43 -1.01 -3.06 115.29 108.58 1zrr s HIS 140 Ca 0.64 0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.94 1zrr s HIS 140 Cb -0.42 0.58 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 1zrr s HIS 140 CO 0.38 -0.64 0.00 -2.67 -2.00 0.00 0.00 174.74 169.81 1zrr n TRP 141 N -0.34 0.00 -3.51 0.38 2.14 -1.26 -2.33 117.44 112.51 1zrr n TRP 141 Ca -0.08 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.50 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 0.93 -0.56 -0.12 -2.67 5.36 -1.23 -4.83 117.98 114.86 1zrr s PHE 142 Ca 0.00 1.03 -0.07 0.00 -0.96 0.00 0.00 56.93 56.93 1zrr s PHE 142 Cb 0.00 0.33 0.05 0.00 -0.34 0.00 0.00 43.02 43.06 1zrr s PHE 142 CO 0.00 -0.28 0.30 0.16 -1.46 0.00 0.00 175.22 173.94 1zrr s ASP 143 N 1.85 -0.34 -0.18 6.13 3.84 -1.26 -3.93 116.67 122.78 1zrr s ASP 143 Ca -0.06 0.64 0.16 0.00 -0.00 0.00 0.00 52.55 53.29 1zrr s ASP 143 Cb -0.04 0.53 0.61 0.00 -1.38 0.00 0.00 42.92 42.64 1zrr s ASP 143 CO -0.16 -0.17 1.52 0.23 -0.00 0.00 0.00 175.17 176.60 1zrr n MET 144 N 4.11 3.55 0.00 2.11 2.81 -1.26 -4.62 117.12 123.82 1zrr n MET 144 Ca -0.24 -2.89 0.00 0.00 -1.81 0.00 0.00 57.70 52.77 1zrr n MET 144 Cb 0.54 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 -0.00 0.00 3.65 3.03 0.00 -1.24 -3.11 105.19 107.51 1zrr n GLY 145 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 6.89 -0.22 1.61 0.15 -1.26 -4.79 113.70 116.08 1zrr s SER 146 Ca 0.00 1.11 -0.02 0.00 0.70 0.00 0.00 55.95 57.74 1zrr s SER 146 Cb 0.00 -2.45 0.02 0.00 -1.71 0.00 0.00 66.02 61.87 1zrr s SER 146 CO 0.00 -0.52 -0.09 -1.83 1.20 0.00 0.00 173.24 172.00 1zrr s GLU 147 N 2.79 3.01 -0.48 5.44 1.03 -1.18 -4.95 118.70 124.36 1zrr s GLU 147 Ca 0.37 -0.85 0.03 0.00 0.03 0.00 0.00 54.97 54.55 1zrr s GLU 147 Cb -0.15 -2.89 0.64 0.00 -0.80 0.00 0.00 34.13 30.93 1zrr s GLU 147 CO 0.08 -0.30 1.93 -0.35 -1.33 0.00 0.00 175.26 175.29 1zrr n PRO 148 N 4.69 2.30 -1.37 -4.83 -0.04 -1.26 -4.47 135.00 130.03 1zrr n PRO 148 Ca -0.18 -3.04 0.00 0.00 -0.04 0.00 0.00 63.50 60.24 1zrr n PRO 148 Cb 0.49 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 -1.12 -1.82 -4.98 3.54 4.05 -1.26 -4.52 115.26 109.14 1zrr n ASN 149 Ca 0.60 0.00 -0.18 0.00 0.45 0.00 0.00 54.58 55.45 1zrr n ASN 149 Cb 1.56 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 41.94 1zrr n ASN 149 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1zrr s PHE 150 N -2.91 2.80 -0.25 1.20 -0.71 -1.26 -4.72 117.98 112.12 1zrr s PHE 150 Ca 0.00 -0.41 -0.01 0.00 -1.04 0.00 0.00 56.93 55.47 1zrr s PHE 150 Cb 0.00 -2.33 0.07 0.00 -1.21 0.00 0.00 43.02 39.56 1zrr s PHE 150 CO 0.00 -0.35 0.03 0.99 -1.34 0.00 0.00 175.22 174.55 1zrr s THR 151 N -2.37 1.03 0.28 -4.49 2.01 0.24 -4.27 115.64 108.07 1zrr s THR 151 Ca 0.53 -1.11 0.07 0.00 0.31 0.00 0.00 61.69 61.50 1zrr s THR 151 Cb -0.09 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1zrr s THR 151 CO 0.32 -0.33 0.24 0.00 -0.69 0.00 0.00 174.62 174.15 1zrr s ALA 152 N 1.59 3.69 -0.23 7.40 0.00 -1.23 -1.70 121.76 131.28 1zrr s ALA 152 Ca 0.01 -1.51 -0.07 0.00 0.00 0.00 0.00 51.96 50.39 1zrr s ALA 152 Cb -0.18 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1zrr s ALA 152 CO -0.13 0.16 0.07 0.42 0.00 0.00 0.00 175.76 176.28 1zrr s ILE 153 N -2.20 4.45 0.16 0.00 1.01 0.45 -1.05 121.20 124.01 1zrr s ILE 153 Ca 0.36 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.93 1zrr s ILE 153 Cb -0.07 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1zrr s ILE 153 CO 0.26 0.38 -0.11 -0.13 0.00 0.00 0.00 174.94 175.33 1zrr s ARG 154 N 1.22 1.11 0.18 2.79 0.52 -0.33 -3.02 118.95 121.41 1zrr s ARG 154 Ca 0.05 -1.47 0.06 0.00 -0.52 0.00 0.00 55.73 53.85 1zrr s ARG 154 Cb -0.14 -0.72 -0.04 0.00 0.52 0.00 0.00 34.95 34.57 1zrr s ARG 154 CO 0.03 0.10 0.08 0.42 0.02 0.00 0.00 175.30 175.95 1zrr s ILE 155 N -3.23 4.15 -0.25 1.52 -1.09 -1.26 -2.57 121.20 118.47 1zrr s ILE 155 Ca 0.17 -1.27 -0.14 0.00 -2.23 0.00 0.00 60.65 57.18 1zrr s ILE 155 Cb 0.02 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 1zrr s ILE 155 CO 0.02 -0.14 0.34 -0.36 -1.23 0.00 0.00 174.94 173.57 1zrr s PHE 156 N -1.80 3.28 0.19 3.97 0.40 0.77 -4.95 117.98 119.84 1zrr s PHE 156 Ca 0.30 0.42 0.04 0.00 -0.60 0.00 0.00 56.93 57.08 1zrr s PHE 156 Cb -0.09 -2.51 -0.05 0.00 0.51 0.00 0.00 43.02 40.88 1zrr s PHE 156 CO 0.21 -0.14 -0.04 0.16 0.70 0.00 0.00 175.22 176.12 1zrr s ASP 157 N 1.44 1.69 0.41 1.36 3.84 -1.26 -3.46 116.67 120.69 1zrr s ASP 157 Ca 0.14 -1.13 -0.00 0.00 -0.00 0.00 0.00 52.55 51.56 1zrr s ASP 157 Cb -0.15 0.02 -0.02 0.00 -1.38 0.00 0.00 42.92 41.39 1zrr s ASP 157 CO 0.09 -0.46 0.64 0.20 -0.00 0.00 0.00 175.17 175.64 1zrr s ASN 158 N -3.23 6.09 0.04 2.11 0.01 -1.26 -5.01 114.94 113.69 1zrr s ASN 158 Ca 0.23 0.46 -0.32 0.00 -0.71 0.00 0.00 52.86 52.52 1zrr s ASN 158 Cb 0.05 -1.86 -0.18 0.00 0.41 0.00 0.00 41.25 39.67 1zrr s ASN 158 CO 0.05 -0.51 1.35 1.55 -1.51 0.00 0.00 177.10 178.03 1zrr h PRO 159 N 0.52 -1.11 0.00 -0.60 0.13 -2.02 -2.18 132.00 126.74 1zrr h PRO 159 Ca -0.48 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1zrr h PRO 159 Cb 1.23 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1zrr h PRO 159 CO 0.60 -0.74 0.48 -1.91 -0.23 0.00 0.00 178.00 176.20 1zrr n GLU 160 N -5.42 0.04 -0.04 0.86 2.13 -1.26 0.11 120.64 117.05 1zrr n GLU 160 Ca -0.14 0.41 -0.15 0.00 0.66 0.00 0.00 57.16 57.94 1zrr n GLU 160 Cb 0.45 -2.09 -0.08 0.00 0.27 0.00 0.00 31.44 29.99 1zrr n GLU 160 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1zrr h GLY 161 N 0.00 0.56 -2.63 8.31 0.00 -1.79 -3.45 103.07 104.08 1zrr h GLY 161 Ca 0.00 -0.74 -0.53 0.00 0.00 0.00 0.00 47.33 46.05 1zrr h GLY 161 CO 0.00 0.66 -0.58 0.66 0.00 0.00 0.00 176.54 177.28 1zrr s TRP 162 N -3.80 2.84 0.14 5.60 1.48 0.30 -3.17 118.94 122.33 1zrr s TRP 162 Ca -0.13 -0.21 0.02 0.00 -1.06 0.00 0.00 56.10 54.72 1zrr s TRP 162 Cb 0.06 -1.36 -0.04 0.00 -1.16 0.00 0.00 33.47 30.97 1zrr s TRP 162 CO 0.82 0.52 0.28 -1.50 -4.06 0.00 0.00 176.95 173.01 1zrr s ILE 163 N -2.28 5.33 0.00 0.66 1.10 -0.84 -4.90 121.20 120.27 1zrr s ILE 163 Ca 0.33 -0.65 0.00 0.00 -0.51 0.00 0.00 60.65 59.82 1zrr s ILE 163 Cb -0.06 -3.73 0.00 0.00 0.15 0.00 0.00 42.46 38.82 1zrr s ILE 163 CO 0.22 -0.07 0.48 0.00 -2.11 0.00 0.00 174.94 173.46 1zrr n ALA 164 N -0.47 -0.15 -2.31 1.50 0.00 -1.26 -3.97 120.51 113.85 1zrr n ALA 164 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 1zrr n ALA 164 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.40 0.95 -0.24 0.00 -0.21 -1.26 -4.19 119.66 113.31 1zrr s GLN 165 Ca 0.00 -1.33 0.02 0.00 0.02 0.00 0.00 55.36 54.07 1zrr s GLN 165 Cb 0.00 0.28 -0.16 0.00 1.00 0.00 0.00 33.01 34.13 1zrr s GLN 165 CO 0.00 -0.29 -0.22 1.97 -2.12 0.00 0.00 175.29 174.63 1zrr n PHE 166 N -0.11 0.00 -0.03 0.91 1.16 -1.26 -4.73 117.46 113.41 1zrr n PHE 166 Ca -0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.48 1zrr n PHE 166 Cb 0.63 -0.94 -0.04 0.00 -1.61 0.00 0.00 39.48 37.52 1zrr n PHE 166 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1zrr n THR 167 N -3.23 0.38 -0.06 1.97 -1.04 -1.26 -5.02 114.28 106.02 1zrr n THR 167 Ca -0.43 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 1zrr n THR 167 Cb 0.96 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 1zrr n THR 167 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zrr n GLY 168 N 2.79 0.49 3.79 3.41 0.00 -1.26 -5.07 105.19 109.34 1zrr n GLY 168 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1zrr n GLY 168 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zrr s ASP 169 N -2.88 7.22 -0.63 1.61 3.84 -1.26 -4.99 116.67 119.58 1zrr s ASP 169 Ca 0.00 1.78 -0.02 0.00 -0.00 0.00 0.00 52.55 54.31 1zrr s ASP 169 Cb 0.00 -2.56 0.16 0.00 -1.38 0.00 0.00 42.92 39.14 1zrr s ASP 169 CO 0.00 -0.14 0.44 -1.81 -0.00 0.00 0.00 175.17 173.66 1zrr s ASP 170 N -1.76 5.16 0.36 2.11 1.01 -1.26 -4.39 116.67 117.89 1zrr s ASP 170 Ca 0.53 -2.94 0.25 0.00 0.71 0.00 0.00 52.55 51.10 1zrr s ASP 170 Cb -0.16 -1.83 0.62 0.00 1.01 0.00 0.00 42.92 42.56 1zrr s ASP 170 CO 0.21 -0.34 1.70 0.16 0.21 0.00 0.00 175.17 177.11 1zrr h ILE 171 N 5.21 0.00 -0.86 0.77 3.07 -1.95 -3.19 117.51 120.56 1zrr h ILE 171 Ca -0.01 -0.74 0.03 0.00 1.55 0.00 0.00 64.86 65.70 1zrr h ILE 171 Cb 0.94 1.72 -0.05 0.00 -0.27 0.00 0.00 36.82 39.16 1zrr h ILE 171 CO 0.71 0.00 0.55 0.00 -1.05 0.00 0.00 178.15 178.37 1zrr h ALA 172 N 2.20 1.13 0.00 0.16 0.00 -1.90 0.76 119.26 121.62 1zrr h ALA 172 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1zrr h ALA 172 Cb 0.84 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1zrr h ALA 172 CO 0.00 0.39 0.06 0.43 0.00 0.00 0.00 179.25 180.13 1zrr n SER 173 N -4.55 0.00 0.14 0.00 7.64 -1.20 -1.13 113.62 114.51 1zrr n SER 173 Ca 0.11 0.10 -0.24 0.00 1.01 0.00 0.00 58.87 59.84 1zrr n SER 173 Cb 0.09 -0.10 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 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 1.25 -0.11 -0.22 -0.43 0.00 -1.07 -3.37 119.26 115.31 1zrr h ALA 174 Ca 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 54.91 53.93 1zrr h ALA 174 Cb 0.12 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1zrr h ALA 174 CO 0.00 0.76 -0.10 0.66 0.00 0.00 0.00 179.25 180.56 1zrr n TYR 175 N -3.69 0.72 0.28 0.00 4.02 -0.28 -4.83 117.16 113.37 1zrr n TYR 175 Ca -0.17 -1.30 0.18 0.00 -0.01 0.00 0.00 57.90 56.60 1zrr n TYR 175 Cb 1.10 -0.36 0.97 0.00 -0.02 0.00 0.00 39.34 41.03 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 1.04 0.00 -5.72 -0.72 0.13 -1.70 -3.40 132.00 121.63 1zrr h PRO 176 Ca 0.10 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.64 1zrr h PRO 176 Cb 1.40 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.45 1zrr h PRO 176 CO 0.23 0.00 0.06 0.50 -0.23 0.00 0.00 178.00 178.56 1zrr s ARG 177 N -3.93 4.26 -0.15 0.86 3.52 -1.26 -3.71 118.95 118.55 1zrr s ARG 177 Ca -0.04 0.61 -0.23 0.00 -0.13 0.00 0.00 55.73 55.94 1zrr s ARG 177 Cb 0.10 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1zrr s ARG 177 CO 0.32 -0.12 0.72 -1.17 -0.81 0.00 0.00 175.30 174.25 1zrr s LEU 178 N 1.51 4.21 0.00 -0.88 0.20 -1.26 -4.93 118.68 117.52 1zrr s LEU 178 Ca 0.29 1.06 0.00 0.00 0.69 0.00 0.00 54.13 56.17 1zrr s LEU 178 Cb -0.16 -3.07 0.00 0.00 -0.43 0.00 0.00 46.19 42.53 1zrr s LEU 178 CO 0.11 -0.27 0.00 0.00 -0.29 0.00 0.00 176.35 175.90