#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 4.19 -0.24 -1.46 0.00 -1.18 -3.14 121.76 119.93 1zrr s ALA 2 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.40 1zrr s ALA 2 Cb 0.00 -1.83 0.09 0.00 0.00 0.00 0.00 23.12 21.38 1zrr s ALA 2 CO 0.00 -0.37 0.56 -1.17 0.00 0.00 0.00 175.76 174.79 1zrr s LEU 3 N -4.45 -0.74 -0.12 0.00 2.96 -0.83 -2.97 118.68 112.53 1zrr s LEU 3 Ca 0.53 1.29 0.03 0.00 -0.22 0.00 0.00 54.13 55.75 1zrr s LEU 3 Cb -0.10 1.92 0.01 0.00 0.50 0.00 0.00 46.19 48.52 1zrr s LEU 3 CO 0.35 -0.22 -0.20 0.42 -1.32 0.00 0.00 176.35 175.37 1zrr s THR 4 N 2.10 1.87 -0.02 3.68 -4.23 0.60 -3.48 115.64 116.16 1zrr s THR 4 Ca -0.07 -0.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1zrr s THR 4 Cb -0.09 -1.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 1zrr s THR 4 CO -0.17 0.52 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.59 1zrr s ILE 5 N 0.73 2.50 0.05 2.99 1.01 -1.09 0.21 121.20 127.61 1zrr s ILE 5 Ca -0.10 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.50 1zrr s ILE 5 Cb -0.16 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1zrr s ILE 5 CO 0.01 0.56 0.12 0.12 0.00 0.00 0.00 174.94 175.74 1zrr s PHE 6 N -0.69 0.20 0.80 3.97 5.36 -0.69 -1.96 117.98 124.97 1zrr s PHE 6 Ca 0.11 -0.53 -0.04 0.00 -0.96 0.00 0.00 56.93 55.51 1zrr s PHE 6 Cb -0.10 -0.13 0.16 0.00 -0.34 0.00 0.00 43.02 42.61 1zrr s PHE 6 CO 0.00 -0.41 1.10 -1.54 -1.46 0.00 0.00 175.22 172.92 1zrr s SER 7 N -2.32 3.87 0.00 6.13 1.04 -1.26 -0.67 113.70 120.50 1zrr s SER 7 Ca -0.02 -0.35 0.23 0.00 0.48 0.00 0.00 55.95 56.28 1zrr s SER 7 Cb 0.01 0.16 0.91 0.00 0.10 0.00 0.00 66.02 67.19 1zrr s SER 7 CO -0.06 -2.20 1.64 1.33 0.98 0.00 0.00 173.24 174.93 1zrr n VAL 8 N -3.12 0.13 -0.05 5.02 0.24 -1.26 -4.40 118.33 114.90 1zrr n VAL 8 Ca 0.17 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 1zrr n VAL 8 Cb 0.60 0.28 -0.12 0.00 -1.47 0.00 0.00 33.84 33.14 1zrr n VAL 8 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1zrr h LYS 9 N 1.88 0.03 -3.02 7.34 1.79 -1.97 -3.46 116.57 119.16 1zrr h LYS 9 Ca 0.00 -0.03 -0.24 0.00 -2.18 0.00 0.00 60.65 58.20 1zrr h LYS 9 Cb 0.41 0.01 -0.33 0.00 -1.58 0.00 0.00 32.23 30.74 1zrr h LYS 9 CO 0.00 0.86 -0.56 -0.51 -1.08 0.00 0.00 179.45 178.16 1zrr s ASP 10 N -6.11 0.26 0.29 0.86 1.01 -1.26 -5.04 116.67 106.68 1zrr s ASP 10 Ca -0.18 0.46 0.04 0.00 0.71 0.00 0.00 52.55 53.58 1zrr s ASP 10 Cb -0.01 0.43 0.43 0.00 1.01 0.00 0.00 42.92 44.78 1zrr s ASP 10 CO 0.70 -0.21 1.72 1.55 0.21 0.00 0.00 175.17 179.13 1zrr h PRO 11 N 7.92 0.41 0.00 8.23 0.13 -1.89 -2.48 132.00 144.31 1zrr h PRO 11 Ca -0.24 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1zrr h PRO 11 Cb 1.13 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1zrr h PRO 11 CO 0.23 0.67 0.00 0.94 -0.23 0.00 0.00 178.00 179.61 1zrr n GLN 12 N -4.10 0.52 -4.37 0.86 0.00 -1.26 -4.56 117.38 104.47 1zrr n GLN 12 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.00 56.71 1zrr n GLN 12 Cb 0.42 -1.19 -0.17 0.00 0.00 0.00 0.00 30.24 29.31 1zrr n GLN 12 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1zrr s ASN 13 N -1.68 2.40 -0.11 1.69 0.02 -0.94 -5.12 114.94 111.21 1zrr s ASN 13 Ca 0.10 -0.42 0.01 0.00 -1.02 0.00 0.00 52.86 51.53 1zrr s ASN 13 Cb 0.04 -1.06 -0.02 0.00 0.02 0.00 0.00 41.25 40.23 1zrr s ASN 13 CO 0.07 -0.00 -0.12 -0.94 0.02 0.00 0.00 177.10 176.13 1zrr s SER 14 N 1.08 4.13 0.00 -1.22 1.04 -1.26 -4.54 113.70 112.92 1zrr s SER 14 Ca -0.05 -0.25 0.21 0.00 0.48 0.00 0.00 55.95 56.34 1zrr s SER 14 Cb -0.14 -1.38 0.57 0.00 0.10 0.00 0.00 66.02 65.16 1zrr s SER 14 CO -0.03 0.23 1.46 0.18 0.98 0.00 0.00 173.24 176.06 1zrr n LEU 15 N 3.10 2.51 -3.27 2.42 4.32 -0.83 -4.73 117.00 120.52 1zrr n LEU 15 Ca -0.18 -1.09 -0.06 0.00 -0.02 0.00 0.00 56.01 54.66 1zrr n LEU 15 Cb 0.53 -0.19 -0.05 0.00 -1.62 0.00 0.00 43.42 42.08 1zrr n LEU 15 CO 0.29 0.55 -0.02 0.86 -1.22 0.00 0.00 177.39 177.85 1zrr s TRP 16 N -1.62 -1.17 -0.30 -1.77 -0.00 -1.15 -4.98 118.94 107.96 1zrr s TRP 16 Ca 0.35 0.62 0.01 0.00 -0.00 0.00 0.00 56.10 57.08 1zrr s TRP 16 Cb 0.19 -0.00 0.07 0.00 -0.00 0.00 0.00 33.47 33.73 1zrr s TRP 16 CO 0.28 -0.96 -0.03 -1.58 -0.00 0.00 0.00 176.95 174.66 1zrr s HIS 17 N 2.61 3.38 0.14 5.86 5.65 -1.26 -2.65 115.29 129.03 1zrr s HIS 17 Ca 0.11 -2.33 -0.24 0.00 0.25 0.00 0.00 55.06 52.85 1zrr s HIS 17 Cb -0.13 -2.26 0.07 0.00 -1.18 0.00 0.00 32.58 29.09 1zrr s HIS 17 CO -0.27 -0.88 0.69 -1.54 -0.65 0.00 0.00 174.74 172.09 1zrr s SER 18 N 1.16 -0.47 -0.41 9.88 1.04 -1.23 -5.08 113.70 118.60 1zrr s SER 18 Ca -0.03 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1zrr s SER 18 Cb -0.20 0.57 0.13 0.00 0.10 0.00 0.00 66.02 66.62 1zrr s SER 18 CO -0.04 -0.95 0.22 0.28 0.98 0.00 0.00 173.24 173.73 1zrr s THR 19 N -3.63 1.03 0.01 2.02 -1.32 -1.26 -1.96 115.64 110.52 1zrr s THR 19 Ca 0.04 -2.25 0.07 0.00 -1.21 0.00 0.00 61.69 58.33 1zrr s THR 19 Cb -0.02 -1.73 -0.02 0.00 -1.51 0.00 0.00 72.50 69.22 1zrr s THR 19 CO -0.09 -0.91 -0.21 0.21 -2.21 0.00 0.00 174.62 171.41 1zrr s ASN 20 N 0.63 2.53 0.04 8.08 3.84 -1.19 -4.69 114.94 124.18 1zrr s ASN 20 Ca 0.17 -0.44 -0.04 0.00 0.21 0.00 0.00 52.86 52.75 1zrr s ASN 20 Cb -0.24 -0.25 -0.28 0.00 -0.55 0.00 0.00 41.25 39.92 1zrr s ASN 20 CO -0.01 0.23 1.01 0.00 -2.79 0.00 0.00 177.10 175.54 1zrr h ALA 21 N 5.30 0.16 0.00 1.71 0.00 -1.99 -2.95 119.26 121.49 1zrr h ALA 21 Ca -0.41 -0.98 -0.06 0.00 0.00 0.00 0.00 54.91 53.46 1zrr h ALA 21 Cb 1.14 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1zrr h ALA 21 CO 0.46 1.03 -0.35 0.93 0.00 0.00 0.00 179.25 181.33 1zrr h GLU 22 N 0.08 0.00 0.00 0.00 4.39 -1.98 -3.13 114.58 113.93 1zrr h GLU 22 Ca -0.19 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1zrr h GLU 22 Cb 2.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.65 1zrr h GLU 22 CO 0.19 0.77 -0.00 1.49 -1.16 0.00 0.00 179.01 180.30 1zrr h GLU 23 N -1.00 0.00 0.17 2.33 4.22 -1.99 -0.50 114.58 117.81 1zrr h GLU 23 Ca -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 1zrr h GLU 23 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1zrr h GLU 23 CO -0.05 0.00 -0.08 0.82 -2.18 0.00 0.00 179.01 177.52 1zrr h ILE 24 N 0.00 0.80 -0.73 2.32 2.04 -1.59 -0.80 117.51 119.55 1zrr h ILE 24 Ca -0.00 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.78 1zrr h ILE 24 Cb 0.01 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1zrr h ILE 24 CO 0.00 0.21 0.46 -0.61 0.00 0.00 0.00 178.15 178.21 1zrr h GLN 25 N -0.88 0.87 -0.82 2.37 4.15 -1.30 0.93 115.11 120.44 1zrr h GLN 25 Ca -0.02 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1zrr h GLN 25 Cb 0.52 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 1zrr h GLN 25 CO 0.04 0.58 0.41 1.96 -1.93 0.00 0.00 178.83 179.89 1zrr h GLN 26 N 0.90 1.16 -0.07 1.69 4.20 -1.17 0.79 115.11 122.61 1zrr h GLN 26 Ca 0.29 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 1zrr h GLN 26 Cb 0.01 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1zrr h GLN 26 CO -0.11 0.88 -0.32 0.37 -0.67 0.00 0.00 178.83 178.98 1zrr h GLN 27 N 1.15 0.35 0.59 1.46 4.15 -0.10 -1.43 115.11 121.26 1zrr h GLN 27 Ca 0.28 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1zrr h GLN 27 Cb 0.08 0.06 0.01 0.00 0.21 0.00 0.00 27.48 27.84 1zrr h GLN 27 CO -0.04 0.92 -0.28 -0.07 -1.93 0.00 0.00 178.83 177.43 1zrr h LEU 28 N -0.14 -0.67 -2.60 -2.39 -0.00 0.11 -2.92 115.31 106.70 1zrr h LEU 28 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1zrr h LEU 28 Cb 0.97 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1zrr h LEU 28 CO 0.07 -0.32 0.02 -1.13 -0.00 0.00 0.00 178.44 177.08 1zrr h ASN 29 N -1.10 0.00 0.19 -0.43 -0.73 0.53 0.70 115.58 114.74 1zrr h ASN 29 Ca -0.08 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.02 1zrr h ASN 29 Cb 0.60 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 1zrr h ASN 29 CO 0.13 0.00 -0.26 0.00 -0.37 0.00 0.00 177.43 176.93 1zrr h ALA 30 N 1.95 1.42 -0.41 1.57 0.00 -1.06 -1.84 119.26 120.89 1zrr h ALA 30 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1zrr h ALA 30 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1zrr h ALA 30 CO 0.00 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.29 1zrr n LYS 31 N -4.18 2.28 -0.79 0.00 5.02 0.21 -4.85 118.16 115.85 1zrr n LYS 31 Ca -0.01 -1.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 1zrr n LYS 31 Cb 0.35 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zrr n GLY 32 N 0.99 0.88 3.88 0.72 0.00 -0.69 -5.06 105.19 105.92 1zrr n GLY 32 Ca 0.15 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 5.16 0.44 1.61 1.01 -1.04 -4.67 120.40 120.91 1zrr s VAL 33 Ca 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 1zrr s VAL 33 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 1zrr s VAL 33 CO 0.00 0.18 0.87 -0.60 0.00 0.00 0.00 175.10 175.55 1zrr s ARG 34 N -2.25 3.94 -0.04 2.72 3.52 -1.19 -3.71 118.95 121.94 1zrr s ARG 34 Ca 0.36 0.78 -0.23 0.00 -0.13 0.00 0.00 55.73 56.52 1zrr s ARG 34 Cb -0.13 -2.27 0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1zrr s ARG 34 CO 0.21 -0.10 0.50 0.12 -0.81 0.00 0.00 175.30 175.22 1zrr s PHE 35 N -2.38 -0.43 -0.07 5.12 2.19 -1.26 -3.94 117.98 117.20 1zrr s PHE 35 Ca 0.56 0.74 -0.30 0.00 0.33 0.00 0.00 56.93 58.26 1zrr s PHE 35 Cb -0.10 0.25 0.10 0.00 -1.31 0.00 0.00 43.02 41.96 1zrr s PHE 35 CO 0.27 -0.49 1.35 -1.83 1.83 0.00 0.00 175.22 176.34 1zrr s GLU 36 N -1.18 0.14 -0.20 10.12 -1.05 -1.25 -4.95 118.70 120.33 1zrr s GLU 36 Ca -0.12 -0.09 -0.08 0.00 -0.15 0.00 0.00 54.97 54.53 1zrr s GLU 36 Cb -0.03 0.04 0.09 0.00 -0.44 0.00 0.00 34.13 33.79 1zrr s GLU 36 CO 0.07 -0.07 0.45 -0.98 0.95 0.00 0.00 175.26 175.68 1zrr s ARG 37 N -2.01 0.37 0.16 -4.83 1.70 -1.26 -3.47 118.95 109.61 1zrr s ARG 37 Ca 0.31 1.03 0.07 0.00 -0.47 0.00 0.00 55.73 56.67 1zrr s ARG 37 Cb 0.00 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1zrr s ARG 37 CO -0.02 -0.22 -0.04 -1.58 -1.08 0.00 0.00 175.30 172.35 1zrr s TRP 38 N 2.36 2.79 0.04 5.89 0.51 -1.25 -4.96 118.94 124.32 1zrr s TRP 38 Ca -0.04 -0.15 -0.01 0.00 -2.12 0.00 0.00 56.10 53.79 1zrr s TRP 38 Cb -0.11 -1.38 -0.03 0.00 -0.81 0.00 0.00 33.47 31.14 1zrr s TRP 38 CO -0.14 0.50 -0.03 -1.14 -0.51 0.00 0.00 176.95 175.63 1zrr s GLN 39 N -2.74 0.46 0.25 4.98 2.00 -1.26 -4.73 119.66 118.62 1zrr s GLN 39 Ca 0.26 -0.92 0.01 0.00 -2.00 0.00 0.00 55.36 52.72 1zrr s GLN 39 Cb -0.10 0.16 -0.04 0.00 0.80 0.00 0.00 33.01 33.84 1zrr s GLN 39 CO 0.17 -0.08 0.42 0.00 -0.50 0.00 0.00 175.29 175.30 1zrr s ALA 40 N -2.69 3.83 -1.08 1.58 0.00 -1.26 -4.99 121.76 117.14 1zrr s ALA 40 Ca -0.04 -0.98 0.18 0.00 0.00 0.00 0.00 51.96 51.12 1zrr s ALA 40 Cb -0.01 -1.94 -0.15 0.00 0.00 0.00 0.00 23.12 21.02 1zrr s ALA 40 CO -0.06 0.27 0.82 -0.40 0.00 0.00 0.00 175.76 176.39 1zrr n ASP 41 N -1.16 1.10 -4.95 0.00 5.75 -1.26 -4.95 116.55 111.08 1zrr n ASP 41 Ca -0.06 -1.05 -0.23 0.00 -0.01 0.00 0.00 54.79 53.44 1zrr n ASP 41 Cb 0.55 0.87 -0.00 0.00 -1.03 0.00 0.00 41.12 41.52 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1zrr s ARG 42 N -2.60 3.29 -0.23 0.11 1.81 -1.26 -5.07 118.95 115.00 1zrr s ARG 42 Ca 0.09 -0.39 -0.14 0.00 -1.72 0.00 0.00 55.73 53.57 1zrr s ARG 42 Cb 0.14 -2.60 -0.04 0.00 -0.45 0.00 0.00 34.95 32.00 1zrr s ARG 42 CO 0.69 -0.06 0.32 0.16 -0.68 0.00 0.00 175.30 175.73 1zrr s ASP 43 N -4.13 6.29 0.33 0.23 -4.77 -1.26 -5.07 116.67 108.29 1zrr s ASP 43 Ca 0.44 0.33 0.02 0.00 -3.30 0.00 0.00 52.55 50.04 1zrr s ASP 43 Cb -0.10 -2.19 -0.03 0.00 -1.09 0.00 0.00 42.92 39.52 1zrr s ASP 43 CO 0.37 -0.06 0.51 -0.76 0.70 0.00 0.00 175.17 175.93 1zrr s LEU 44 N 1.44 4.04 0.00 2.11 1.43 -1.26 -5.04 118.68 121.41 1zrr s LEU 44 Ca 0.14 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1zrr s LEU 44 Cb -0.15 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1zrr s LEU 44 CO 0.08 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1zrr n GLY 45 N -1.72 0.69 3.56 -3.19 0.00 -1.26 -5.03 105.19 98.24 1zrr n GLY 45 Ca -0.05 0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.10 2.67 -0.52 4.61 0.00 -1.26 -4.89 121.76 121.28 1zrr s ALA 46 Ca 0.00 -2.27 0.02 0.00 0.00 0.00 0.00 51.96 49.71 1zrr s ALA 46 Cb 0.00 -4.55 0.13 0.00 0.00 0.00 0.00 23.12 18.70 1zrr s ALA 46 CO 0.00 -3.72 0.27 0.00 0.00 0.00 0.00 175.76 172.31 1zrr s ALA 47 N 5.47 3.31 -0.02 0.00 0.00 -1.26 -4.92 121.76 124.34 1zrr s ALA 47 Ca 0.50 -3.14 0.21 0.00 0.00 0.00 0.00 51.96 49.53 1zrr s ALA 47 Cb -0.00 -2.26 0.61 0.00 0.00 0.00 0.00 23.12 21.47 1zrr s ALA 47 CO -0.07 -1.99 1.69 -1.00 0.00 0.00 0.00 175.76 174.40 1zrr h PRO 48 N 6.83 0.00 -6.65 0.00 0.13 -2.07 -3.44 132.00 126.80 1zrr h PRO 48 Ca -0.06 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.37 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 0.28 -0.88 0.95 -0.23 0.00 0.00 178.00 178.79 1zrr s THR 49 N -3.40 2.15 -0.56 1.56 -4.23 -1.26 -5.01 115.64 104.89 1zrr s THR 49 Ca 0.02 -1.21 0.24 0.00 -1.18 0.00 0.00 61.69 59.56 1zrr s THR 49 Cb 0.09 -1.79 0.30 0.00 1.34 0.00 0.00 72.50 72.44 1zrr s THR 49 CO 0.67 0.49 1.66 0.00 -0.54 0.00 0.00 174.62 176.90 1zrr h ALA 50 N 5.17 0.98 -1.10 3.99 0.00 -1.98 -3.30 119.26 123.02 1zrr h ALA 50 Ca -0.45 0.00 0.35 0.00 0.00 0.00 0.00 54.91 54.81 1zrr h ALA 50 Cb 1.13 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 1zrr h ALA 50 CO 0.46 0.00 0.67 0.93 0.00 0.00 0.00 179.25 181.30 1zrr h GLU 51 N 0.00 0.26 0.01 0.00 5.08 -1.99 1.50 114.58 119.44 1zrr h GLU 51 Ca 0.00 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1zrr h GLU 51 Cb 0.88 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1zrr h GLU 51 CO 0.00 0.17 -0.91 1.15 -1.00 0.00 0.00 179.01 178.42 1zrr h THR 52 N 0.26 1.49 -0.31 1.13 2.02 -2.01 -3.08 112.91 112.41 1zrr h THR 52 Ca 0.74 -2.65 -0.05 0.00 0.77 0.00 0.00 66.41 65.22 1zrr h THR 52 Cb 1.91 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 70.80 1zrr h THR 52 CO -0.50 0.77 0.02 0.58 0.37 0.00 0.00 175.52 176.76 1zrr h VAL 53 N 0.12 1.25 -0.78 3.16 2.07 0.18 -2.77 116.25 119.48 1zrr h VAL 53 Ca -0.05 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1zrr h VAL 53 Cb 1.54 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 1zrr h VAL 53 CO 0.14 0.29 0.43 0.40 0.02 0.00 0.00 177.57 178.85 1zrr h ILE 54 N 0.35 1.23 -0.13 4.57 2.04 -1.02 -1.16 117.51 123.40 1zrr h ILE 54 Ca 0.09 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1zrr h ILE 54 Cb 0.41 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1zrr h ILE 54 CO 0.01 0.26 0.07 0.00 0.00 0.00 0.00 178.15 178.50 1zrr h ALA 55 N 1.37 1.89 0.00 1.87 0.00 -1.41 3.55 119.26 126.53 1zrr h ALA 55 Ca 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1zrr h ALA 55 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1zrr h ALA 55 CO -0.04 0.10 -0.16 0.00 0.00 0.00 0.00 179.25 179.14 1zrr h ALA 56 N 1.91 0.92 0.00 0.00 0.00 -0.95 -3.27 119.26 117.86 1zrr h ALA 56 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1zrr h ALA 56 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1zrr h ALA 56 CO -0.01 0.20 -0.40 0.66 0.00 0.00 0.00 179.25 179.71 1zrr n TYR 57 N -3.17 0.00 -0.28 0.00 4.01 -0.08 -4.59 117.16 113.06 1zrr n TYR 57 Ca 0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.82 1zrr n TYR 57 Cb 0.55 -0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.77 1zrr n TYR 57 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1zrr h GLN 58 N 0.00 0.58 -0.59 -0.72 5.75 0.65 -0.67 115.11 120.11 1zrr h GLN 58 Ca 0.00 -0.04 0.12 0.00 -0.15 0.00 0.00 58.65 58.59 1zrr h GLN 58 Cb 0.19 -0.13 -0.10 0.00 1.07 0.00 0.00 27.48 28.51 1zrr h GLN 58 CO 0.00 0.39 -0.02 1.12 -2.65 0.00 0.00 178.83 177.67 1zrr h HIS 59 N 0.60 -0.08 0.89 3.99 2.07 -1.80 2.98 115.15 123.80 1zrr h HIS 59 Ca 0.43 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 57.95 1zrr h HIS 59 Cb 0.59 0.13 0.01 0.00 2.57 0.00 0.00 27.41 30.70 1zrr h HIS 59 CO -0.10 -0.17 -0.43 0.00 -3.07 0.00 0.00 177.93 174.16 1zrr h ALA 60 N 1.54 -1.27 -0.00 6.11 0.00 -1.45 -2.68 119.26 121.51 1zrr h ALA 60 Ca 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1zrr h ALA 60 Cb 0.48 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1zrr h ALA 60 CO -0.52 -1.18 -0.11 -0.84 0.00 0.00 0.00 179.25 176.61 1zrr h ILE 61 N -1.25 1.08 -0.28 0.00 -0.00 -0.98 -1.10 117.51 114.98 1zrr h ILE 61 Ca -0.12 -0.37 0.08 0.00 -0.00 0.00 0.00 64.86 64.45 1zrr h ILE 61 Cb 0.92 1.20 -0.01 0.00 -0.00 0.00 0.00 36.82 38.92 1zrr h ILE 61 CO 0.20 0.10 0.30 -0.78 -0.00 0.00 0.00 178.15 177.98 1zrr h ASP 62 N 0.00 0.00 0.60 2.16 3.58 0.57 0.21 116.42 123.55 1zrr h ASP 62 Ca -0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 1zrr h ASP 62 Cb 0.19 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.24 1zrr h ASP 62 CO 0.01 0.00 -1.27 0.11 -2.88 0.00 0.00 179.24 175.21 1zrr h LYS 63 N 0.00 0.28 -0.51 0.28 1.79 -1.02 -2.59 116.57 114.80 1zrr h LYS 63 Ca 0.13 -0.48 -0.06 0.00 -2.18 0.00 0.00 60.65 58.06 1zrr h LYS 63 Cb 0.73 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.54 1zrr h LYS 63 CO -0.00 1.22 0.10 1.25 -1.08 0.00 0.00 179.45 180.94 1zrr h LEU 64 N 0.08 0.80 -0.84 2.94 5.85 -0.62 -2.55 115.31 120.96 1zrr h LEU 64 Ca -0.15 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.21 1zrr h LEU 64 Cb 1.99 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1zrr h LEU 64 CO 0.20 0.84 -0.54 0.58 -0.34 0.00 0.00 178.44 179.19 1zrr h VAL 65 N 0.72 1.29 -0.18 1.05 2.07 -1.41 -1.86 116.25 117.92 1zrr h VAL 65 Ca 0.16 -1.91 0.05 0.00 0.82 0.00 0.00 66.70 65.82 1zrr h VAL 65 Cb 0.38 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 1zrr h VAL 65 CO 0.01 0.53 -0.22 0.00 0.02 0.00 0.00 177.57 177.91 1zrr h ALA 66 N 1.46 -0.14 0.09 1.67 0.00 -1.03 2.38 119.26 123.68 1zrr h ALA 66 Ca -0.01 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1zrr h ALA 66 Cb 1.02 0.44 0.01 0.00 0.00 0.00 0.00 17.79 19.26 1zrr h ALA 66 CO 0.07 -0.66 -0.54 0.93 0.00 0.00 0.00 179.25 179.05 1zrr h GLU 67 N -0.25 0.21 -0.40 0.00 5.08 -1.56 -3.27 114.58 114.39 1zrr h GLU 67 Ca 0.12 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1zrr h GLU 67 Cb 0.43 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1zrr h GLU 67 CO -0.33 1.15 0.00 1.63 -1.00 0.00 0.00 179.01 180.47 1zrr n LYS 68 N -4.29 1.44 0.00 2.33 5.02 -0.70 -4.91 118.16 117.05 1zrr n LYS 68 Ca -0.12 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 1zrr n LYS 68 Cb 0.70 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 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 0.51 0.00 3.83 0.72 0.00 0.80 -4.77 105.19 106.28 1zrr n GLY 69 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 3.14 0.21 1.61 2.02 -1.26 -4.95 117.35 118.13 1zrr s TYR 70 Ca 0.00 1.28 -0.10 0.00 -0.37 0.00 0.00 57.07 57.89 1zrr s TYR 70 Cb 0.00 -2.94 0.19 0.00 -0.40 0.00 0.00 41.96 38.81 1zrr s TYR 70 CO 0.00 -1.29 1.86 1.96 -1.57 0.00 0.00 175.55 176.51 1zrr h GLN 71 N -0.75 0.90 -3.56 -0.62 1.08 -1.86 -3.45 115.11 106.85 1zrr h GLN 71 Ca -0.45 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 56.63 1zrr h GLN 71 Cb 1.23 -0.20 -0.13 0.00 -0.05 0.00 0.00 27.48 28.33 1zrr h GLN 71 CO 0.59 0.60 -0.17 0.45 -0.95 0.00 0.00 178.83 179.34 1zrr s SER 72 N -5.79 -0.10 0.01 1.46 0.15 -1.11 -5.03 113.70 103.28 1zrr s SER 72 Ca -0.13 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.03 1zrr s SER 72 Cb 0.16 0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 64.90 1zrr s SER 72 CO 0.77 -0.85 -0.04 0.86 1.20 0.00 0.00 173.24 175.19 1zrr s TRP 73 N -3.85 0.33 0.37 3.44 -0.11 -1.26 -0.11 118.94 117.75 1zrr s TRP 73 Ca 0.06 -0.19 -0.16 0.00 1.22 0.00 0.00 56.10 57.03 1zrr s TRP 73 Cb 0.03 -0.21 0.06 0.00 -1.50 0.00 0.00 33.47 31.84 1zrr s TRP 73 CO -0.09 -0.04 0.82 0.34 -4.62 0.00 0.00 176.95 173.36 1zrr s ASP 74 N -0.51 0.01 0.01 5.86 3.68 -1.14 -4.85 116.67 119.74 1zrr s ASP 74 Ca -0.03 -1.12 0.07 0.00 2.13 0.00 0.00 52.55 53.61 1zrr s ASP 74 Cb -0.04 0.82 -0.02 0.00 -1.45 0.00 0.00 42.92 42.23 1zrr s ASP 74 CO -0.00 -1.63 -0.22 -0.69 0.13 0.00 0.00 175.17 172.75 1zrr s VAL 75 N -2.24 1.79 -0.33 1.11 1.01 -1.26 -2.59 120.40 117.89 1zrr s VAL 75 Ca 0.16 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 1zrr s VAL 75 Cb -0.05 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1zrr s VAL 75 CO 0.11 0.40 0.23 -0.63 0.00 0.00 0.00 175.10 175.21 1zrr s ILE 76 N -0.64 5.29 -0.30 2.22 -1.09 -0.85 -4.96 121.20 120.87 1zrr s ILE 76 Ca 0.09 -0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.32 1zrr s ILE 76 Cb -0.09 -3.68 0.19 0.00 -1.58 0.00 0.00 42.46 37.30 1zrr s ILE 76 CO 0.00 0.04 0.86 -0.94 -1.23 0.00 0.00 174.94 173.68 1zrr s SER 77 N 1.73 -0.90 0.51 3.58 1.04 -1.26 -2.05 113.70 116.36 1zrr s SER 77 Ca 0.06 0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.69 1zrr s SER 77 Cb -0.17 1.60 -0.00 0.00 0.10 0.00 0.00 66.02 67.55 1zrr s SER 77 CO 0.11 -0.16 0.02 -0.22 0.98 0.00 0.00 173.24 173.96 1zrr s LEU 78 N 2.91 2.16 0.48 2.42 2.96 -1.26 -4.98 118.68 123.37 1zrr s LEU 78 Ca 0.18 -1.71 -0.05 0.00 -0.22 0.00 0.00 54.13 52.33 1zrr s LEU 78 Cb -0.07 -0.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 1zrr s LEU 78 CO -0.22 -0.94 0.77 -0.60 -1.32 0.00 0.00 176.35 174.04 1zrr s ARG 79 N -3.87 3.49 0.00 1.98 3.52 -1.26 -4.15 118.95 118.66 1zrr s ARG 79 Ca 0.03 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1zrr s ARG 79 Cb 0.00 -2.40 0.00 0.00 -1.56 0.00 0.00 34.95 31.00 1zrr s ARG 79 CO 0.02 -0.21 0.60 0.00 -0.81 0.00 0.00 175.30 174.91 1zrr n ALA 80 N -2.24 1.26 -1.05 6.12 0.00 -1.26 -0.91 120.51 122.44 1zrr n ALA 80 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1zrr n ALA 80 Cb 0.55 -0.93 0.14 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.10 4.43 -4.69 0.00 8.00 -1.26 -4.95 116.55 116.98 1zrr n ASP 81 Ca 0.00 -3.49 -0.42 0.00 0.71 0.00 0.00 54.79 51.59 1zrr n ASP 81 Cb 0.01 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 40.24 1zrr n ASP 81 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1zrr s ASN 82 N -1.14 7.23 0.36 -2.24 2.47 -0.08 -4.94 114.94 116.60 1zrr s ASN 82 Ca 0.53 1.51 0.19 0.00 0.42 0.00 0.00 52.86 55.51 1zrr s ASN 82 Cb 0.44 -2.55 0.30 0.00 -1.45 0.00 0.00 41.25 37.98 1zrr s ASN 82 CO 0.08 -0.45 1.56 1.55 -3.72 0.00 0.00 177.10 176.11 1zrr h PRO 83 N 7.12 0.00 -0.47 0.43 0.13 -1.92 -3.16 132.00 134.13 1zrr h PRO 83 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1zrr h PRO 83 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1zrr h PRO 83 CO 0.86 0.28 0.00 1.04 -0.23 0.00 0.00 178.00 179.95 1zrr n GLN 84 N -3.20 2.13 0.16 0.86 1.13 -1.26 -4.28 117.38 112.92 1zrr n GLN 84 Ca 0.02 -1.62 -0.14 0.00 -1.94 0.00 0.00 57.00 53.32 1zrr n GLN 84 Cb 0.62 -1.39 -0.07 0.00 0.11 0.00 0.00 30.24 29.51 1zrr n GLN 84 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1zrr h LYS 85 N 2.58 -0.44 0.12 -1.09 2.10 -1.96 1.26 116.57 119.14 1zrr h LYS 85 Ca 0.00 0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.67 1zrr h LYS 85 Cb 0.65 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1zrr h LYS 85 CO 0.02 -0.29 -0.06 1.49 -2.00 0.00 0.00 179.45 178.61 1zrr h GLU 86 N -0.45 -0.15 -0.48 0.07 4.81 -1.85 -0.90 114.58 115.62 1zrr h GLU 86 Ca -0.01 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1zrr h GLU 86 Cb 0.41 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1zrr h GLU 86 CO -0.02 0.24 0.25 0.00 -0.73 0.00 0.00 179.01 178.75 1zrr h ALA 87 N 0.20 0.61 -0.52 2.92 0.00 -1.76 -0.82 119.26 119.90 1zrr h ALA 87 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1zrr h ALA 87 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1zrr h ALA 87 CO 0.03 -0.09 0.25 1.25 0.00 0.00 0.00 179.25 180.69 1zrr h LEU 88 N 0.49 0.68 -1.37 0.00 6.46 0.16 -1.79 115.31 119.95 1zrr h LEU 88 Ca 0.21 -0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1zrr h LEU 88 Cb 0.10 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 1zrr h LEU 88 CO -0.14 0.61 0.45 0.03 -0.62 0.00 0.00 178.44 178.78 1zrr h ARG 89 N 0.69 0.81 0.42 1.25 3.08 -0.51 -1.92 114.38 118.21 1zrr h ARG 89 Ca 0.18 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1zrr h ARG 89 Cb 0.11 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1zrr h ARG 89 CO -0.02 0.54 -0.20 1.49 -1.07 0.00 0.00 179.97 180.70 1zrr h GLU 90 N 0.83 -0.54 -0.96 0.04 4.81 -0.56 0.77 114.58 118.97 1zrr h GLU 90 Ca 0.27 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.76 1zrr h GLU 90 Cb 0.04 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.47 1zrr h GLU 90 CO -0.07 -0.23 0.62 0.87 -0.73 0.00 0.00 179.01 179.47 1zrr h LYS 91 N -0.91 0.46 0.00 1.92 1.57 -1.09 0.58 116.57 119.10 1zrr h LYS 91 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1zrr h LYS 91 Cb 0.56 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1zrr h LYS 91 CO 0.09 0.30 -0.75 0.74 -0.57 0.00 0.00 179.45 179.27 1zrr h PHE 92 N 0.47 0.00 -0.52 -1.35 -1.00 -1.23 -3.32 116.94 109.99 1zrr h PHE 92 Ca 0.52 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.27 1zrr h PHE 92 Cb 1.22 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.76 1zrr h PHE 92 CO -0.00 0.00 0.19 1.25 -1.61 0.00 0.00 178.31 178.14 1zrr h LEU 93 N 0.00 0.68 -9.74 1.54 5.85 0.62 -3.11 115.31 111.15 1zrr h LEU 93 Ca 0.00 -0.09 -0.53 0.00 0.84 0.00 0.00 57.88 58.11 1zrr h LEU 93 Cb 0.95 -0.18 0.07 0.00 0.37 0.00 0.00 40.66 41.87 1zrr h LEU 93 CO 0.00 0.63 0.90 0.20 -0.34 0.00 0.00 178.44 179.83 1zrr s ASN 94 N -6.59 6.43 0.66 1.25 0.02 -1.02 -4.64 114.94 111.05 1zrr s ASN 94 Ca -0.09 2.87 -0.17 0.00 -1.02 0.00 0.00 52.86 54.44 1zrr s ASN 94 Cb 0.16 -2.62 -0.00 0.00 0.02 0.00 0.00 41.25 38.81 1zrr s ASN 94 CO 0.78 -0.90 1.23 -0.70 0.02 0.00 0.00 177.10 177.54 1zrr s GLU 95 N 0.07 2.55 0.09 -0.60 2.12 -1.26 -4.79 118.70 116.87 1zrr s GLU 95 Ca 0.66 1.88 -0.05 0.00 0.36 0.00 0.00 54.97 57.82 1zrr s GLU 95 Cb -0.47 -1.87 0.02 0.00 0.26 0.00 0.00 34.13 32.07 1zrr s GLU 95 CO 0.42 -1.55 0.26 -2.39 -0.54 0.00 0.00 175.26 171.46 1zrr n HIS 96 N -2.09 -1.16 -3.63 5.30 1.44 -1.07 -4.41 115.22 109.59 1zrr n HIS 96 Ca 0.14 -0.47 -0.11 0.00 -2.01 0.00 0.00 57.72 55.27 1zrr n HIS 96 Cb 0.49 0.23 -0.07 0.00 0.12 0.00 0.00 29.99 30.77 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 -2.61 0.00 0.17 0.61 -1.32 -1.25 -2.43 115.64 108.81 1zrr s THR 97 Ca 0.05 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.60 1zrr s THR 97 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 1zrr s THR 97 CO 0.03 0.00 0.01 -1.00 -2.21 0.00 0.00 174.62 171.44 1zrr s HIS 98 N 0.60 2.87 -1.43 9.09 0.09 -1.26 -2.31 115.29 122.94 1zrr s HIS 98 Ca -0.01 -0.13 0.25 0.00 -0.00 0.00 0.00 55.06 55.17 1zrr s HIS 98 Cb -0.05 -1.39 1.24 0.00 -0.00 0.00 0.00 32.58 32.38 1zrr s HIS 98 CO -0.06 0.52 1.82 0.41 -0.00 0.00 0.00 174.74 177.43 1zrr n GLY 99 N -0.11 -1.10 3.49 -2.22 0.00 -1.26 -1.83 105.19 102.15 1zrr n GLY 99 Ca -0.10 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1zrr n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1zrr s GLU 100 N -2.57 1.70 0.35 1.61 2.12 -1.26 -4.78 118.70 115.87 1zrr s GLU 100 Ca 0.23 -1.92 -0.27 0.00 0.36 0.00 0.00 54.97 53.37 1zrr s GLU 100 Cb 0.16 -1.17 -0.09 0.00 0.26 0.00 0.00 34.13 33.29 1zrr s GLU 100 CO 0.38 -0.07 1.11 -0.51 -0.54 0.00 0.00 175.26 175.63 1zrr s ASP 101 N -3.53 6.87 -0.67 -1.70 -0.00 -1.26 -3.96 116.67 112.42 1zrr s ASP 101 Ca 0.34 2.24 -0.16 0.00 -0.00 0.00 0.00 52.55 54.97 1zrr s ASP 101 Cb 0.07 -2.61 0.16 0.00 -0.00 0.00 0.00 42.92 40.54 1zrr s ASP 101 CO 0.15 -0.42 0.65 -0.70 -0.00 0.00 0.00 175.17 174.85 1zrr s GLU 102 N -2.02 3.25 0.03 8.23 2.12 -0.44 -4.88 118.70 125.00 1zrr s GLU 102 Ca 0.52 -1.94 -0.30 0.00 0.36 0.00 0.00 54.97 53.61 1zrr s GLU 102 Cb -0.29 -4.37 -0.04 0.00 0.26 0.00 0.00 34.13 29.69 1zrr s GLU 102 CO 0.37 -1.36 0.96 0.08 -0.54 0.00 0.00 175.26 174.77 1zrr s VAL 103 N 1.26 4.76 -0.17 3.70 1.01 -1.26 -1.92 120.40 127.77 1zrr s VAL 103 Ca 0.11 2.04 -0.01 0.00 0.00 0.00 0.00 61.98 64.12 1zrr s VAL 103 Cb -0.21 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 31.91 1zrr s VAL 103 CO -0.02 0.21 -0.04 -0.13 0.00 0.00 0.00 175.10 175.13 1zrr s ARG 104 N 0.67 1.37 -0.15 2.72 1.81 -0.92 -4.77 118.95 119.69 1zrr s ARG 104 Ca 0.50 -0.55 -0.03 0.00 -1.72 0.00 0.00 55.73 53.92 1zrr s ARG 104 Cb -0.22 -2.07 -0.03 0.00 -0.45 0.00 0.00 34.95 32.19 1zrr s ARG 104 CO 0.28 -0.47 -0.05 0.12 -0.68 0.00 0.00 175.30 174.50 1zrr s PHE 105 N 1.63 3.00 -0.03 -0.53 5.36 -1.20 -1.70 117.98 124.51 1zrr s PHE 105 Ca -0.00 -0.35 -0.15 0.00 -0.96 0.00 0.00 56.93 55.47 1zrr s PHE 105 Cb -0.16 -1.94 -0.05 0.00 -0.34 0.00 0.00 43.02 40.53 1zrr s PHE 105 CO -0.07 -0.06 0.42 0.12 -1.46 0.00 0.00 175.22 174.16 1zrr s PHE 106 N 0.36 3.68 -0.08 10.12 2.19 -1.26 -0.18 117.98 132.81 1zrr s PHE 106 Ca -0.05 0.96 0.07 0.00 0.33 0.00 0.00 56.93 58.24 1zrr s PHE 106 Cb -0.14 -2.35 -0.10 0.00 -1.31 0.00 0.00 43.02 39.12 1zrr s PHE 106 CO 0.03 0.53 0.03 0.28 1.83 0.00 0.00 175.22 177.92 1zrr n VAL 107 N 2.27 0.56 -3.53 3.12 0.31 0.36 -4.33 118.33 117.09 1zrr n VAL 107 Ca -0.12 -0.34 -0.08 0.00 -0.01 0.00 0.00 64.34 63.78 1zrr n VAL 107 Cb 0.52 -0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 32.64 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 -2.20 0.71 0.09 5.55 2.12 0.25 -4.88 118.70 120.34 1zrr s GLU 108 Ca -0.04 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1zrr s GLU 108 Cb 0.02 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.74 1zrr s GLU 108 CO 0.33 -0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1zrr n GLY 109 N -0.05 -2.58 2.57 -1.50 0.00 -1.26 -0.33 105.19 102.04 1zrr n GLY 109 Ca -0.08 -1.40 -0.19 0.00 0.00 0.00 0.00 46.02 44.35 1zrr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr n ALA 110 N -2.40 0.50 -2.89 4.61 0.00 -1.26 -4.79 120.51 114.28 1zrr n ALA 110 Ca -0.01 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1zrr n ALA 110 Cb 0.10 0.69 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1zrr n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zrr n GLY 111 N 0.57 1.42 3.13 0.00 0.00 -1.26 -4.97 105.19 104.08 1zrr n GLY 111 Ca -0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 2.12 -0.39 0.99 0.20 -1.26 -4.66 118.68 115.68 1zrr s LEU 112 Ca 0.00 -0.88 0.01 0.00 0.69 0.00 0.00 54.13 53.95 1zrr s LEU 112 Cb 0.00 0.49 0.15 0.00 -0.43 0.00 0.00 46.19 46.39 1zrr s LEU 112 CO 0.00 -0.65 0.25 -0.36 -0.29 0.00 0.00 176.35 175.30 1zrr s PHE 113 N -3.90 1.09 -0.38 5.38 0.40 -1.09 -4.82 117.98 114.66 1zrr s PHE 113 Ca 0.06 -1.95 -0.28 0.00 -0.60 0.00 0.00 56.93 54.16 1zrr s PHE 113 Cb 0.07 -1.13 0.02 0.00 0.51 0.00 0.00 43.02 42.48 1zrr s PHE 113 CO -0.10 -0.81 1.06 0.00 0.70 0.00 0.00 175.22 176.06 1zrr s LEU 115 N 3.83 2.55 -0.32 0.00 1.43 -0.68 -4.16 118.68 121.33 1zrr s LEU 115 Ca 0.44 -0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1zrr s LEU 115 Cb -0.11 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.61 1zrr s LEU 115 CO 0.21 -0.06 0.12 -2.28 0.23 0.00 0.00 176.35 174.57 1zrr s HIS 116 N 1.25 3.19 -0.14 0.29 2.46 -1.11 -1.63 115.29 119.61 1zrr s HIS 116 Ca 0.01 -0.94 -0.01 0.00 0.47 0.00 0.00 55.06 54.60 1zrr s HIS 116 Cb -0.15 -2.31 0.03 0.00 -0.13 0.00 0.00 32.58 30.02 1zrr s HIS 116 CO -0.10 -0.58 -0.06 0.96 -2.47 0.00 0.00 174.74 172.49 1zrr s ILE 117 N 1.52 1.01 0.00 0.89 -4.36 -1.22 -3.58 121.20 115.46 1zrr s ILE 117 Ca 0.02 -0.42 0.00 0.00 -0.26 0.00 0.00 60.65 59.99 1zrr s ILE 117 Cb -0.18 -1.12 0.00 0.00 1.25 0.00 0.00 42.46 42.41 1zrr s ILE 117 CO 0.04 0.24 0.00 0.61 0.24 0.00 0.00 174.94 176.08 1zrr n GLY 118 N 4.93 0.82 3.17 6.27 0.00 -1.26 -3.79 105.19 115.33 1zrr n GLY 118 Ca -0.12 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 1zrr n GLY 118 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zrr n ASP 119 N 2.03 4.75 -3.71 1.61 4.64 -1.26 -4.96 116.55 119.65 1zrr n ASP 119 Ca 0.00 -3.12 -0.05 0.00 -1.38 0.00 0.00 54.79 50.24 1zrr n ASP 119 Cb 0.00 -1.17 -0.02 0.00 -1.04 0.00 0.00 41.12 38.90 1zrr n ASP 119 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1zrr s GLU 120 N -1.45 1.21 0.06 -0.67 2.12 -1.25 -4.70 118.70 114.03 1zrr s GLU 120 Ca 0.29 -0.64 0.05 0.00 0.36 0.00 0.00 54.97 55.04 1zrr s GLU 120 Cb -0.07 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 34.73 1zrr s GLU 120 CO -0.10 -0.55 -0.14 0.08 -0.54 0.00 0.00 175.26 174.01 1zrr s VAL 121 N -3.36 1.10 -0.04 3.70 1.01 0.16 -3.44 120.40 119.53 1zrr s VAL 121 Ca 0.10 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1zrr s VAL 121 Cb -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1zrr s VAL 121 CO 0.00 -0.19 -0.12 -0.36 0.00 0.00 0.00 175.10 174.44 1zrr s PHE 122 N -1.19 1.33 -0.23 5.22 0.40 -0.64 -1.71 117.98 121.15 1zrr s PHE 122 Ca -0.01 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1zrr s PHE 122 Cb -0.10 -0.94 0.06 0.00 0.51 0.00 0.00 43.02 42.56 1zrr s PHE 122 CO 0.02 -0.17 -0.01 -0.65 0.70 0.00 0.00 175.22 175.10 1zrr s GLN 123 N 0.30 1.29 -0.12 0.44 -1.52 0.56 -1.69 119.66 118.92 1zrr s GLN 123 Ca -0.07 -0.87 -0.05 0.00 -1.95 0.00 0.00 55.36 52.42 1zrr s GLN 123 Cb -0.12 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.20 1zrr s GLN 123 CO 0.02 -0.65 0.06 0.08 -0.25 0.00 0.00 175.29 174.55 1zrr s VAL 124 N 1.52 4.85 -0.51 1.09 1.01 -1.18 0.22 120.40 127.40 1zrr s VAL 124 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1zrr s VAL 124 Cb -0.18 -3.10 0.16 0.00 0.00 0.00 0.00 36.38 33.26 1zrr s VAL 124 CO -0.08 0.58 0.36 -0.76 0.00 0.00 0.00 175.10 175.20 1zrr s LEU 125 N -0.70 2.80 -0.30 3.92 2.01 -1.16 -2.68 118.68 122.56 1zrr s LEU 125 Ca 0.12 -3.16 -0.14 0.00 0.01 0.00 0.00 54.13 50.97 1zrr s LEU 125 Cb -0.12 -0.97 0.17 0.00 0.01 0.00 0.00 46.19 45.28 1zrr s LEU 125 CO 0.02 -0.18 0.98 0.00 1.01 0.00 0.00 176.35 178.19 1zrr s GLU 127 N 2.59 2.06 0.53 0.00 0.41 -1.26 -4.95 118.70 118.08 1zrr s GLU 127 Ca -0.00 -1.64 0.06 0.00 -0.41 0.00 0.00 54.97 52.98 1zrr s GLU 127 Cb -0.08 -3.38 0.03 0.00 -1.78 0.00 0.00 34.13 28.92 1zrr s GLU 127 CO -0.16 -0.90 0.41 0.15 -0.49 0.00 0.00 175.26 174.27 1zrr s LYS 128 N 1.14 2.28 0.00 1.61 1.02 -1.26 -4.90 119.74 119.63 1zrr s LYS 128 Ca 0.04 -1.95 0.00 0.00 0.02 0.00 0.00 55.97 54.08 1zrr s LYS 128 Cb -0.21 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1zrr s LYS 128 CO -0.04 -0.56 0.69 0.27 -0.92 0.00 0.00 175.35 174.79 1zrr n ASN 129 N -1.74 0.00 -4.77 2.83 0.23 -1.26 -4.29 115.26 106.26 1zrr n ASN 129 Ca -0.00 0.23 -0.38 0.00 -0.53 0.00 0.00 54.58 53.90 1zrr n ASN 129 Cb 0.64 -0.23 -0.03 0.00 -2.08 0.00 0.00 39.78 38.08 1zrr n ASN 129 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 1zrr s ASP 130 N -2.38 6.62 0.07 0.53 1.47 -1.25 -3.84 116.67 117.89 1zrr s ASP 130 Ca 0.00 2.24 0.04 0.00 1.18 0.00 0.00 52.55 56.01 1zrr s ASP 130 Cb 0.00 -2.61 -0.04 0.00 -0.34 0.00 0.00 42.92 39.94 1zrr s ASP 130 CO 0.00 -0.60 -0.02 -1.48 0.68 0.00 0.00 175.17 173.76 1zrr s LEU 131 N -2.50 3.40 -0.16 2.11 0.05 -1.23 -4.06 118.68 116.30 1zrr s LEU 131 Ca 0.57 -0.17 0.01 0.00 0.05 0.00 0.00 54.13 54.59 1zrr s LEU 131 Cb -0.28 -2.09 0.02 0.00 -2.05 0.00 0.00 46.19 41.79 1zrr s LEU 131 CO 0.35 0.20 -0.17 -0.63 -0.55 0.00 0.00 176.35 175.55 1zrr s ILE 132 N -1.23 1.81 -0.02 1.48 -1.09 -0.69 -3.77 121.20 117.69 1zrr s ILE 132 Ca 0.23 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 1zrr s ILE 132 Cb -0.12 -1.65 -0.03 0.00 -1.58 0.00 0.00 42.46 39.08 1zrr s ILE 132 CO 0.15 0.50 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.72 1zrr s SER 133 N 1.29 4.46 -0.04 3.58 0.15 -1.25 -2.16 113.70 119.73 1zrr s SER 133 Ca 0.02 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.52 1zrr s SER 133 Cb -0.13 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.11 1zrr s SER 133 CO -0.10 0.31 0.06 -0.69 1.20 0.00 0.00 173.24 174.03 1zrr s VAL 134 N -0.89 4.69 0.59 4.45 1.01 -0.81 -3.16 120.40 126.27 1zrr s VAL 134 Ca 0.15 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1zrr s VAL 134 Cb -0.11 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1zrr s VAL 134 CO 0.04 0.44 1.19 -2.16 0.00 0.00 0.00 175.10 174.61 1zrr s PRO 135 N -1.45 3.03 0.19 2.72 0.04 -1.26 -1.32 135.00 136.94 1zrr s PRO 135 Ca 0.20 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1zrr s PRO 135 Cb -0.12 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1zrr s PRO 135 CO 0.10 -1.15 1.24 0.00 0.04 0.00 0.00 177.00 177.23 1zrr s ALA 136 N -1.65 3.47 0.00 8.56 0.00 -1.25 -2.88 121.76 128.00 1zrr s ALA 136 Ca 0.76 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1zrr s ALA 136 Cb -0.29 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1zrr s ALA 136 CO 0.32 -0.44 0.00 1.58 0.00 0.00 0.00 175.76 177.22 1zrr n HIS 137 N 2.58 0.00 -3.86 0.00 -0.00 -0.76 -4.93 115.22 108.25 1zrr n HIS 137 Ca 0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.41 1zrr n HIS 137 Cb 0.44 -0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.32 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 4.76 0.20 3.57 2.01 -1.14 -5.01 115.64 118.03 1zrr s THR 138 Ca 0.00 -0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.66 1zrr s THR 138 Cb 0.00 -3.19 -0.10 0.00 0.01 0.00 0.00 72.50 69.22 1zrr s THR 138 CO 0.00 0.39 1.52 -2.16 -0.69 0.00 0.00 174.62 173.68 1zrr s PRO 139 N 0.95 4.23 -0.01 4.92 0.04 -1.24 -4.64 135.00 139.26 1zrr s PRO 139 Ca 0.05 2.35 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 1zrr s PRO 139 Cb -0.14 -3.13 0.10 0.00 0.04 0.00 0.00 34.50 31.37 1zrr s PRO 139 CO 0.03 -0.54 1.02 -3.38 0.04 0.00 0.00 177.00 174.17 1zrr s HIS 140 N 0.68 -0.21 0.00 0.56 -3.43 -1.02 -2.74 115.29 109.12 1zrr s HIS 140 Ca 0.66 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.98 1zrr s HIS 140 Cb -0.43 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 1zrr s HIS 140 CO 0.36 -0.51 0.00 -2.67 -2.00 0.00 0.00 174.74 169.92 1zrr n TRP 141 N -0.30 0.00 -3.47 0.38 2.14 -1.26 -2.60 117.44 112.33 1zrr n TRP 141 Ca -0.06 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.54 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 1.69 -0.08 -0.09 -2.67 5.36 -1.17 -4.82 117.98 116.20 1zrr s PHE 142 Ca 0.00 0.14 -0.07 0.00 -0.96 0.00 0.00 56.93 56.04 1zrr s PHE 142 Cb 0.00 0.05 0.03 0.00 -0.34 0.00 0.00 43.02 42.75 1zrr s PHE 142 CO 0.00 -0.04 0.24 0.34 -1.46 0.00 0.00 175.22 174.30 1zrr s ASP 143 N 1.42 -0.25 -0.20 6.13 3.68 -1.26 -3.99 116.67 122.20 1zrr s ASP 143 Ca -0.05 0.49 0.15 0.00 2.13 0.00 0.00 52.55 55.27 1zrr s ASP 143 Cb -0.02 0.46 0.56 0.00 -1.45 0.00 0.00 42.92 42.48 1zrr s ASP 143 CO -0.12 -0.10 1.47 1.15 0.13 0.00 0.00 175.17 177.70 1zrr n MET 144 N 3.27 3.02 0.00 4.34 0.00 -1.26 -4.47 117.12 122.02 1zrr n MET 144 Ca -0.16 -2.92 0.00 0.00 0.00 0.00 0.00 57.70 54.63 1zrr n MET 144 Cb 0.57 -1.90 0.00 0.00 0.00 0.00 0.00 33.22 31.89 1zrr n MET 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1zrr n GLY 145 N -0.47 0.00 3.64 3.17 0.00 -1.26 -3.19 105.19 107.08 1zrr n GLY 145 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 6.74 -0.29 1.61 0.15 -1.26 -4.84 113.70 115.80 1zrr s SER 146 Ca 0.00 0.91 -0.03 0.00 0.70 0.00 0.00 55.95 57.53 1zrr s SER 146 Cb 0.00 -2.40 0.04 0.00 -1.71 0.00 0.00 66.02 61.95 1zrr s SER 146 CO 0.00 -0.44 0.01 -1.61 1.20 0.00 0.00 173.24 172.40 1zrr s GLU 147 N 2.63 2.62 -0.39 5.44 8.01 -1.19 -4.96 118.70 130.86 1zrr s GLU 147 Ca 0.32 -1.14 0.06 0.00 0.01 0.00 0.00 54.97 54.22 1zrr s GLU 147 Cb -0.15 -3.19 0.67 0.00 -4.31 0.00 0.00 34.13 27.14 1zrr s GLU 147 CO 0.08 -0.55 1.82 -0.35 0.01 0.00 0.00 175.26 176.27 1zrr n PRO 148 N 4.69 2.61 -1.20 0.39 -0.04 -1.26 -4.43 135.00 135.76 1zrr n PRO 148 Ca -0.14 -3.05 0.00 0.00 -0.04 0.00 0.00 63.50 60.27 1zrr n PRO 148 Cb 0.45 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 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 -0.87 -1.59 -4.94 3.54 4.05 -1.26 -4.74 115.26 109.45 1zrr n ASN 149 Ca 0.51 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 55.30 1zrr n ASN 149 Cb 1.50 -0.80 -0.01 0.00 1.23 0.00 0.00 39.78 41.70 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 -2.52 3.49 -0.08 1.20 -0.71 -1.26 -4.68 117.98 113.42 1zrr s PHE 150 Ca 0.00 0.33 0.01 0.00 -1.04 0.00 0.00 56.93 56.23 1zrr s PHE 150 Cb 0.00 -1.87 0.02 0.00 -1.21 0.00 0.00 43.02 39.96 1zrr s PHE 150 CO 0.00 0.16 -0.09 0.99 -1.34 0.00 0.00 175.22 174.95 1zrr s THR 151 N -2.26 0.96 0.13 -4.49 2.01 0.56 -4.10 115.64 108.45 1zrr s THR 151 Ca 0.39 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 1zrr s THR 151 Cb -0.10 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 1zrr s THR 151 CO 0.35 0.34 0.18 0.00 -0.69 0.00 0.00 174.62 174.79 1zrr s ALA 152 N 1.18 0.27 -0.15 7.40 0.00 -0.87 0.14 121.76 129.73 1zrr s ALA 152 Ca -0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 1zrr s ALA 152 Cb -0.14 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1zrr s ALA 152 CO -0.02 -0.56 -0.07 0.42 0.00 0.00 0.00 175.76 175.54 1zrr s ILE 153 N -3.97 3.63 0.18 0.00 1.01 0.74 -2.01 121.20 120.78 1zrr s ILE 153 Ca 0.17 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 1zrr s ILE 153 Cb 0.05 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1zrr s ILE 153 CO -0.02 0.50 0.08 -0.60 0.00 0.00 0.00 174.94 174.91 1zrr s ARG 154 N 0.36 1.11 0.02 2.79 3.52 -1.07 -3.23 118.95 122.45 1zrr s ARG 154 Ca -0.06 -1.56 0.00 0.00 -0.13 0.00 0.00 55.73 53.98 1zrr s ARG 154 Cb -0.15 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.32 1zrr s ARG 154 CO 0.04 -0.29 0.09 0.42 -0.81 0.00 0.00 175.30 174.74 1zrr s ILE 155 N -4.00 4.72 -0.29 4.11 1.09 -1.26 -2.89 121.20 122.68 1zrr s ILE 155 Ca 0.31 -0.49 -0.16 0.00 -1.10 0.00 0.00 60.65 59.22 1zrr s ILE 155 Cb 0.07 -3.19 -0.03 0.00 -1.06 0.00 0.00 42.46 38.25 1zrr s ILE 155 CO 0.07 0.29 0.40 -0.36 -0.10 0.00 0.00 174.94 175.24 1zrr s PHE 156 N -1.25 3.23 0.13 3.97 0.40 0.84 -4.89 117.98 120.41 1zrr s PHE 156 Ca 0.25 0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.92 1zrr s PHE 156 Cb -0.12 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.72 1zrr s PHE 156 CO 0.16 -0.31 -0.03 0.16 0.70 0.00 0.00 175.22 175.90 1zrr s ASP 157 N 1.66 1.09 0.32 1.36 1.47 -1.26 -2.74 116.67 118.57 1zrr s ASP 157 Ca 0.16 -1.08 0.02 0.00 1.18 0.00 0.00 52.55 52.82 1zrr s ASP 157 Cb -0.16 0.12 -0.03 0.00 -0.34 0.00 0.00 42.92 42.51 1zrr s ASP 157 CO 0.11 -0.52 0.50 0.20 0.68 0.00 0.00 175.17 176.13 1zrr s ASN 158 N -3.09 6.28 -0.01 2.11 0.01 -1.26 -5.04 114.94 113.95 1zrr s ASN 158 Ca 0.17 0.33 -0.24 0.00 -0.71 0.00 0.00 52.86 52.41 1zrr s ASN 158 Cb 0.06 -1.95 -0.16 0.00 0.41 0.00 0.00 41.25 39.60 1zrr s ASN 158 CO -0.01 -0.25 1.11 1.55 -1.51 0.00 0.00 177.10 177.99 1zrr h PRO 159 N 0.86 -0.31 0.00 -0.60 0.13 -2.02 -3.00 132.00 127.06 1zrr h PRO 159 Ca -0.50 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1zrr h PRO 159 Cb 1.22 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1zrr h PRO 159 CO 0.61 0.05 0.70 1.49 -0.23 0.00 0.00 178.00 180.62 1zrr h GLU 160 N -0.77 0.00 0.00 0.86 4.81 -2.00 3.50 114.58 120.98 1zrr h GLU 160 Ca -0.03 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 1zrr h GLU 160 Cb 0.50 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1zrr h GLU 160 CO 0.05 0.00 -1.28 0.78 -0.73 0.00 0.00 179.01 177.83 1zrr h GLY 161 N 0.00 0.00 -2.22 1.92 0.00 -1.94 -3.47 103.07 97.36 1zrr h GLY 161 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1zrr h GLY 161 CO 0.00 0.00 -0.40 -0.98 0.00 0.00 0.00 176.54 175.16 1zrr s TRP 162 N -2.93 2.73 0.12 5.60 0.52 1.16 -4.57 118.94 121.58 1zrr s TRP 162 Ca -0.02 -0.46 -0.03 0.00 0.02 0.00 0.00 56.10 55.61 1zrr s TRP 162 Cb 0.09 -2.09 -0.05 0.00 -1.15 0.00 0.00 33.47 30.27 1zrr s TRP 162 CO 0.80 -0.04 0.32 0.42 0.02 0.00 0.00 176.95 178.47 1zrr s ILE 163 N -2.45 5.25 0.00 2.03 1.01 -0.98 -4.90 121.20 121.16 1zrr s ILE 163 Ca 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1zrr s ILE 163 Cb -0.03 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1zrr s ILE 163 CO 0.27 0.05 0.15 0.00 0.00 0.00 0.00 174.94 175.41 1zrr n ALA 164 N 0.06 -0.07 -2.28 9.38 0.00 -1.26 -3.82 120.51 122.52 1zrr n ALA 164 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1zrr n ALA 164 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.13 0.90 -0.24 0.00 -0.21 -1.26 -3.95 119.66 113.76 1zrr s GLN 165 Ca 0.00 -1.32 0.02 0.00 0.02 0.00 0.00 55.36 54.09 1zrr s GLN 165 Cb 0.00 -0.40 -0.16 0.00 1.00 0.00 0.00 33.01 33.44 1zrr s GLN 165 CO 0.00 0.03 -0.21 0.34 -2.12 0.00 0.00 175.29 173.33 1zrr n PHE 166 N 0.08 0.00 -0.01 0.91 7.35 -1.26 -4.74 117.46 119.79 1zrr n PHE 166 Ca -0.13 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.55 1zrr n PHE 166 Cb 0.60 -0.95 -0.02 0.00 0.35 0.00 0.00 39.48 39.46 1zrr n PHE 166 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1zrr n THR 167 N -3.20 0.20 0.00 -2.13 -1.04 -1.26 -5.02 114.28 101.83 1zrr n THR 167 Ca -0.43 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1zrr n THR 167 Cb 0.97 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 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 2.84 0.20 3.81 3.41 0.00 -1.26 -5.07 105.19 109.12 1zrr n GLY 168 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 7.03 -0.71 1.61 -0.00 -1.26 -5.02 116.67 116.32 1zrr s ASP 169 Ca 0.00 1.73 -0.03 0.00 -0.00 0.00 0.00 52.55 54.25 1zrr s ASP 169 Cb 0.00 -2.55 0.18 0.00 -0.00 0.00 0.00 42.92 40.55 1zrr s ASP 169 CO 0.00 -0.29 0.55 -1.81 -0.00 0.00 0.00 175.17 173.62 1zrr s ASP 170 N -2.03 5.53 0.33 0.27 -0.00 -1.26 -4.66 116.67 114.84 1zrr s ASP 170 Ca 0.59 -3.10 0.26 0.00 -0.00 0.00 0.00 52.55 50.30 1zrr s ASP 170 Cb -0.12 -1.89 0.73 0.00 -0.00 0.00 0.00 42.92 41.65 1zrr s ASP 170 CO 0.16 -0.33 1.73 -0.29 -0.00 0.00 0.00 175.17 176.45 1zrr h ILE 171 N 4.90 0.00 -0.94 0.77 2.10 -1.95 -3.16 117.51 119.23 1zrr h ILE 171 Ca 0.04 -0.62 0.09 0.00 1.08 0.00 0.00 64.86 65.45 1zrr h ILE 171 Cb 0.92 1.59 -0.07 0.00 -1.09 0.00 0.00 36.82 38.17 1zrr h ILE 171 CO 0.75 0.00 0.60 0.00 -1.08 0.00 0.00 178.15 178.42 1zrr h ALA 172 N 2.27 1.55 0.00 0.18 0.00 -1.89 0.11 119.26 121.48 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 0.76 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1zrr h ALA 172 CO 0.00 0.27 0.09 0.43 0.00 0.00 0.00 179.25 180.04 1zrr n SER 173 N -4.53 0.00 0.04 0.00 7.64 -1.20 -1.50 113.62 114.07 1zrr n SER 173 Ca 0.16 0.16 -0.20 0.00 1.01 0.00 0.00 58.87 60.00 1zrr n SER 173 Cb 0.27 -0.16 -0.11 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.28 0.09 -0.27 -0.43 0.00 -1.02 -3.35 119.26 115.56 1zrr h ALA 174 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.15 1zrr h ALA 174 Cb 0.18 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1zrr h ALA 174 CO 0.00 0.58 -0.06 0.66 0.00 0.00 0.00 179.25 180.43 1zrr n TYR 175 N -3.96 0.87 0.29 0.00 4.01 -0.56 -4.82 117.16 112.99 1zrr n TYR 175 Ca -0.11 -1.27 0.14 0.00 -0.16 0.00 0.00 57.90 56.50 1zrr n TYR 175 Cb 0.83 -0.38 0.85 0.00 -0.31 0.00 0.00 39.34 40.33 1zrr n TYR 175 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1zrr h PRO 176 N 1.17 0.00 -5.71 -0.72 0.13 -1.69 -3.40 132.00 121.78 1zrr h PRO 176 Ca 0.11 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.65 1zrr h PRO 176 Cb 1.48 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.53 1zrr h PRO 176 CO 0.27 0.02 0.05 0.50 -0.23 0.00 0.00 178.00 178.61 1zrr s ARG 177 N -4.64 4.26 -0.23 0.86 3.52 -1.26 -4.30 118.95 117.16 1zrr s ARG 177 Ca -0.05 0.60 -0.22 0.00 -0.13 0.00 0.00 55.73 55.93 1zrr s ARG 177 Cb 0.15 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.99 1zrr s ARG 177 CO 0.57 -0.12 0.72 -1.17 -0.81 0.00 0.00 175.30 174.49 1zrr s LEU 178 N 1.51 4.09 0.00 -0.88 2.96 -1.26 -4.93 118.68 120.18 1zrr s LEU 178 Ca 0.29 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1zrr s LEU 178 Cb -0.16 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.51 1zrr s LEU 178 CO 0.11 -0.41 0.00 0.00 -1.32 0.00 0.00 176.35 174.73