#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 4.35 -0.28 7.33 0.00 -1.19 -3.11 121.76 128.86 1zrr s ALA 2 Ca 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 51.96 50.35 1zrr s ALA 2 Cb 0.00 -1.74 0.15 0.00 0.00 0.00 0.00 23.12 21.53 1zrr s ALA 2 CO 0.00 -0.35 0.56 -1.17 0.00 0.00 0.00 175.76 174.80 1zrr s LEU 3 N -4.42 -1.09 -0.09 0.00 2.96 -0.94 -3.10 118.68 112.00 1zrr s LEU 3 Ca 0.54 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 55.50 1zrr s LEU 3 Cb -0.10 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.51 1zrr s LEU 3 CO 0.34 -0.25 -0.04 0.42 -1.32 0.00 0.00 176.35 175.50 1zrr s THR 4 N 2.79 3.94 -0.04 3.68 -4.23 0.68 -3.37 115.64 119.09 1zrr s THR 4 Ca 0.07 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1zrr s THR 4 Cb -0.14 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.08 1zrr s THR 4 CO -0.18 0.59 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.78 1zrr s ILE 5 N -0.67 0.70 0.27 2.99 1.01 -1.07 0.32 121.20 124.76 1zrr s ILE 5 Ca 0.10 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1zrr s ILE 5 Cb -0.12 -0.68 -0.06 0.00 0.01 0.00 0.00 42.46 41.62 1zrr s ILE 5 CO 0.02 0.25 -0.07 -0.36 0.00 0.00 0.00 174.94 174.78 1zrr s PHE 6 N 0.67 1.94 0.79 3.97 0.08 -1.12 -1.71 117.98 122.60 1zrr s PHE 6 Ca -0.10 -0.68 -0.08 0.00 0.12 0.00 0.00 56.93 56.19 1zrr s PHE 6 Cb -0.13 -1.09 0.13 0.00 -0.57 0.00 0.00 43.02 41.36 1zrr s PHE 6 CO 0.01 0.30 1.10 -1.12 -0.10 0.00 0.00 175.22 175.41 1zrr s SER 7 N -3.44 4.14 0.07 1.36 0.01 -1.21 -2.08 113.70 112.55 1zrr s SER 7 Ca 0.29 0.13 0.15 0.00 1.31 0.00 0.00 55.95 57.83 1zrr s SER 7 Cb 0.03 -0.50 -0.14 0.00 0.21 0.00 0.00 66.02 65.62 1zrr s SER 7 CO 0.12 -2.03 0.90 -0.37 0.41 0.00 0.00 173.24 172.26 1zrr h VAL 8 N -0.89 0.70 -0.10 3.43 -1.51 -1.90 -3.36 116.25 112.62 1zrr h VAL 8 Ca -0.42 -2.26 -0.22 0.00 -1.23 0.00 0.00 66.70 62.56 1zrr h VAL 8 Cb 1.27 2.21 0.01 0.00 -2.13 0.00 0.00 31.29 32.66 1zrr h VAL 8 CO 0.47 0.40 -0.83 0.50 -1.23 0.00 0.00 177.57 176.87 1zrr h LYS 9 N 0.00 0.66 -3.67 5.19 1.63 -1.94 -3.44 116.57 114.99 1zrr h LYS 9 Ca -0.16 -0.58 -0.37 0.00 -0.85 0.00 0.00 60.65 58.69 1zrr h LYS 9 Cb 1.66 0.13 -0.36 0.00 -0.60 0.00 0.00 32.23 33.07 1zrr h LYS 9 CO 0.06 1.19 -0.75 -0.51 -3.45 0.00 0.00 179.45 175.99 1zrr s ASP 10 N -7.11 0.85 0.05 4.20 1.01 -1.26 -5.03 116.67 109.39 1zrr s ASP 10 Ca -0.09 -0.03 -0.09 0.00 0.71 0.00 0.00 52.55 53.06 1zrr s ASP 10 Cb 0.09 -0.28 -0.31 0.00 1.01 0.00 0.00 42.92 43.43 1zrr s ASP 10 CO 0.89 -0.14 1.06 1.55 0.21 0.00 0.00 175.17 178.74 1zrr h PRO 11 N 7.69 0.37 0.00 8.23 0.13 -1.86 -3.24 132.00 143.32 1zrr h PRO 11 Ca -0.32 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.18 1zrr h PRO 11 Cb 1.13 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1zrr h PRO 11 CO 0.37 1.30 0.00 0.00 -0.23 0.00 0.00 178.00 179.44 1zrr n GLN 12 N -3.60 0.48 -4.04 0.86 10.64 -1.26 -4.52 117.38 115.94 1zrr n GLN 12 Ca -0.12 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.71 1zrr n GLN 12 Cb 1.06 -1.11 -0.15 0.00 -0.86 0.00 0.00 30.24 29.18 1zrr n GLN 12 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1zrr s ASN 13 N -1.62 3.60 -0.25 2.61 0.01 -1.23 -5.09 114.94 112.97 1zrr s ASN 13 Ca 0.05 -0.57 -0.12 0.00 -0.71 0.00 0.00 52.86 51.51 1zrr s ASN 13 Cb 0.02 -1.58 -0.05 0.00 0.41 0.00 0.00 41.25 40.06 1zrr s ASN 13 CO 0.04 -0.01 0.21 -0.94 -1.51 0.00 0.00 177.10 174.89 1zrr s SER 14 N 1.36 6.15 0.00 -1.22 1.04 -1.26 -3.36 113.70 116.41 1zrr s SER 14 Ca 0.05 0.15 0.25 0.00 0.48 0.00 0.00 55.95 56.88 1zrr s SER 14 Cb -0.14 -2.13 0.52 0.00 0.10 0.00 0.00 66.02 64.37 1zrr s SER 14 CO -0.09 0.01 1.42 0.18 0.98 0.00 0.00 173.24 175.74 1zrr n LEU 15 N 4.55 0.51 -3.21 2.42 7.99 -0.69 -4.74 117.00 123.84 1zrr n LEU 15 Ca -0.13 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 1zrr n LEU 15 Cb 0.52 -0.25 -0.03 0.00 -0.11 0.00 0.00 43.42 43.55 1zrr n LEU 15 CO 0.35 0.13 0.08 0.86 -1.51 0.00 0.00 177.39 177.30 1zrr s TRP 16 N -2.98 -1.45 -0.17 -1.77 -0.00 -1.22 -5.05 118.94 106.30 1zrr s TRP 16 Ca 0.11 1.27 0.01 0.00 -0.00 0.00 0.00 56.10 57.49 1zrr s TRP 16 Cb 0.18 0.33 0.02 0.00 -0.00 0.00 0.00 33.47 34.00 1zrr s TRP 16 CO 0.69 -0.90 -0.18 -1.58 -0.00 0.00 0.00 176.95 174.98 1zrr s HIS 17 N 2.76 2.53 0.15 5.86 5.65 -1.26 -2.59 115.29 128.40 1zrr s HIS 17 Ca 0.16 -1.48 -0.24 0.00 0.25 0.00 0.00 55.06 53.75 1zrr s HIS 17 Cb -0.14 -1.79 0.06 0.00 -1.18 0.00 0.00 32.58 29.54 1zrr s HIS 17 CO -0.22 -0.75 0.76 0.45 -0.65 0.00 0.00 174.74 174.33 1zrr s SER 18 N 1.37 -0.37 -0.44 9.88 0.15 -1.22 -5.08 113.70 118.00 1zrr s SER 18 Ca 0.05 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1zrr s SER 18 Cb -0.13 0.57 0.14 0.00 -1.71 0.00 0.00 66.02 64.88 1zrr s SER 18 CO -0.12 -0.98 0.25 -0.89 1.20 0.00 0.00 173.24 172.70 1zrr s THR 19 N -3.57 1.37 0.03 6.45 2.01 -1.26 -2.21 115.64 118.45 1zrr s THR 19 Ca 0.07 -2.59 0.06 0.00 0.31 0.00 0.00 61.69 59.53 1zrr s THR 19 Cb -0.02 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 1zrr s THR 19 CO -0.04 -0.92 -0.17 0.20 -0.69 0.00 0.00 174.62 173.01 1zrr s ASN 20 N 0.30 1.98 -0.01 3.53 0.02 -1.18 -4.73 114.94 114.84 1zrr s ASN 20 Ca 0.19 -0.44 -0.10 0.00 -1.02 0.00 0.00 52.86 51.48 1zrr s ASN 20 Cb -0.22 -0.16 -0.31 0.00 0.02 0.00 0.00 41.25 40.58 1zrr s ASN 20 CO -0.01 0.11 0.81 0.00 0.02 0.00 0.00 177.10 178.02 1zrr h ALA 21 N 5.08 0.11 0.04 0.60 0.00 -1.99 -3.06 119.26 120.03 1zrr h ALA 21 Ca -0.39 -1.06 -0.11 0.00 0.00 0.00 0.00 54.91 53.34 1zrr h ALA 21 Cb 1.17 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1zrr h ALA 21 CO 0.45 0.97 -0.58 1.49 0.00 0.00 0.00 179.25 181.58 1zrr h GLU 22 N 0.11 0.08 0.00 0.00 4.81 -1.99 -3.12 114.58 114.47 1zrr h GLU 22 Ca -0.29 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1zrr h GLU 22 Cb 2.09 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.52 1zrr h GLU 22 CO 0.20 1.06 0.00 1.49 -0.73 0.00 0.00 179.01 181.03 1zrr h GLU 23 N -0.81 0.00 0.18 1.92 4.81 -1.98 -1.99 114.58 116.70 1zrr h GLU 23 Ca -0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1zrr h GLU 23 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1zrr h GLU 23 CO -0.02 0.00 -0.09 0.82 -0.73 0.00 0.00 179.01 179.00 1zrr h ILE 24 N 0.00 0.58 -0.73 2.32 2.04 -1.59 -1.80 117.51 118.32 1zrr h ILE 24 Ca 0.00 -1.08 0.12 0.00 1.00 0.00 0.00 64.86 64.90 1zrr h ILE 24 Cb 0.14 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1zrr h ILE 24 CO 0.00 0.16 0.48 0.06 0.00 0.00 0.00 178.15 178.85 1zrr h GLN 25 N -0.96 0.50 -0.12 2.37 -0.00 -1.40 0.60 115.11 116.08 1zrr h GLN 25 Ca -0.02 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.56 1zrr h GLN 25 Cb 0.45 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.81 1zrr h GLN 25 CO 0.04 0.33 -0.05 0.37 -0.00 0.00 0.00 178.83 179.52 1zrr h GLN 26 N 0.52 0.25 -0.47 0.06 4.15 -1.40 0.37 115.11 118.59 1zrr h GLN 26 Ca 0.35 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.53 1zrr h GLN 26 Cb 0.64 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1zrr h GLN 26 CO -0.12 0.58 -0.20 0.37 -1.93 0.00 0.00 178.83 177.53 1zrr h GLN 27 N -0.08 0.96 0.46 1.69 4.15 -0.32 0.18 115.11 122.14 1zrr h GLN 27 Ca 0.03 -0.41 -0.02 0.00 0.77 0.00 0.00 58.65 59.02 1zrr h GLN 27 Cb 0.50 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1zrr h GLN 27 CO 0.02 1.08 -0.22 -0.07 -1.93 0.00 0.00 178.83 177.71 1zrr h LEU 28 N 0.81 -0.52 -2.17 -2.39 -0.00 0.19 -2.92 115.31 108.31 1zrr h LEU 28 Ca 0.11 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1zrr h LEU 28 Cb 0.78 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 1zrr h LEU 28 CO 0.06 -0.22 0.08 -1.13 -0.00 0.00 0.00 178.44 177.24 1zrr h ASN 29 N -0.92 0.00 0.12 -0.43 -0.73 -0.33 0.15 115.58 113.44 1zrr h ASN 29 Ca -0.06 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.02 1zrr h ASN 29 Cb 0.47 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 1zrr h ASN 29 CO 0.10 0.00 -0.29 0.00 -0.37 0.00 0.00 177.43 176.87 1zrr h ALA 30 N 1.81 1.25 -0.37 1.57 0.00 -0.75 -2.14 119.26 120.63 1zrr h ALA 30 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1zrr h ALA 30 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1zrr h ALA 30 CO 0.00 0.50 0.00 1.63 0.00 0.00 0.00 179.25 181.38 1zrr n LYS 31 N -4.12 1.90 -0.37 0.00 4.01 0.48 -4.86 118.16 115.20 1zrr n LYS 31 Ca -0.01 -1.39 0.00 0.00 -0.51 0.00 0.00 58.31 56.40 1zrr n LYS 31 Cb 0.39 -1.32 0.00 0.00 -0.51 0.00 0.00 35.03 33.60 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zrr n GLY 32 N 1.13 1.18 3.90 0.72 0.00 -0.80 -5.03 105.19 106.29 1zrr n GLY 32 Ca 0.14 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 5.25 0.43 1.61 1.01 -1.04 -4.25 120.40 121.42 1zrr s VAL 33 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 1zrr s VAL 33 Cb 0.00 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1zrr s VAL 33 CO 0.00 0.19 0.84 -0.60 0.00 0.00 0.00 175.10 175.52 1zrr s ARG 34 N -2.27 3.87 -0.03 2.72 3.52 -0.93 -3.62 118.95 122.20 1zrr s ARG 34 Ca 0.35 0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 56.39 1zrr s ARG 34 Cb -0.13 -2.31 0.04 0.00 -1.56 0.00 0.00 34.95 31.00 1zrr s ARG 34 CO 0.22 -0.09 0.48 0.12 -0.81 0.00 0.00 175.30 175.22 1zrr s PHE 35 N -2.40 -0.40 -0.04 5.12 2.19 -1.24 -3.76 117.98 117.45 1zrr s PHE 35 Ca 0.54 0.67 -0.30 0.00 0.33 0.00 0.00 56.93 58.17 1zrr s PHE 35 Cb -0.10 0.24 0.11 0.00 -1.31 0.00 0.00 43.02 41.96 1zrr s PHE 35 CO 0.29 -0.49 1.31 -1.21 1.83 0.00 0.00 175.22 176.96 1zrr s GLU 36 N -1.26 0.30 -0.21 10.12 2.02 -1.17 -4.91 118.70 123.59 1zrr s GLU 36 Ca -0.12 -0.19 -0.04 0.00 0.02 0.00 0.00 54.97 54.64 1zrr s GLU 36 Cb -0.03 0.09 0.11 0.00 0.10 0.00 0.00 34.13 34.39 1zrr s GLU 36 CO 0.07 -0.14 0.31 1.03 0.02 0.00 0.00 175.26 176.55 1zrr s ARG 37 N -2.09 0.26 0.22 1.61 0.52 -1.26 -3.17 118.95 115.05 1zrr s ARG 37 Ca 0.26 0.50 0.08 0.00 -0.52 0.00 0.00 55.73 56.05 1zrr s ARG 37 Cb 0.01 -0.58 -0.04 0.00 0.52 0.00 0.00 34.95 34.86 1zrr s ARG 37 CO -0.02 -0.56 0.02 -1.58 0.02 0.00 0.00 175.30 173.19 1zrr s TRP 38 N 2.46 2.82 0.04 -0.53 0.51 -1.26 -4.99 118.94 117.99 1zrr s TRP 38 Ca 0.08 -0.17 -0.04 0.00 -2.12 0.00 0.00 56.10 53.85 1zrr s TRP 38 Cb -0.15 -1.31 -0.02 0.00 -0.81 0.00 0.00 33.47 31.18 1zrr s TRP 38 CO -0.13 0.56 0.06 -0.65 -0.51 0.00 0.00 176.95 176.28 1zrr s GLN 39 N -3.34 0.59 0.11 4.98 1.11 -1.26 -4.80 119.66 117.05 1zrr s GLN 39 Ca 0.30 -0.88 0.02 0.00 0.01 0.00 0.00 55.36 54.80 1zrr s GLN 39 Cb -0.08 0.22 -0.04 0.00 -1.01 0.00 0.00 33.01 32.11 1zrr s GLN 39 CO 0.20 -0.14 0.22 0.00 0.01 0.00 0.00 175.29 175.58 1zrr s ALA 40 N -2.97 3.89 -1.38 6.09 0.00 -1.26 -4.99 121.76 121.14 1zrr s ALA 40 Ca -0.02 -0.99 0.18 0.00 0.00 0.00 0.00 51.96 51.13 1zrr s ALA 40 Cb 0.01 -1.70 -0.06 0.00 0.00 0.00 0.00 23.12 21.36 1zrr s ALA 40 CO -0.06 0.65 0.86 -0.40 0.00 0.00 0.00 175.76 176.81 1zrr n ASP 41 N -0.13 1.45 -4.93 0.00 5.68 -1.26 -4.95 116.55 112.40 1zrr n ASP 41 Ca -0.07 -1.22 -0.25 0.00 -0.50 0.00 0.00 54.79 52.75 1zrr n ASP 41 Cb 0.53 0.64 -0.01 0.00 -1.14 0.00 0.00 41.12 41.13 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1zrr s ARG 42 N -2.24 3.51 -0.34 0.11 0.52 -1.26 -5.05 118.95 114.20 1zrr s ARG 42 Ca 0.12 -0.23 -0.17 0.00 -0.52 0.00 0.00 55.73 54.93 1zrr s ARG 42 Cb 0.14 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.97 1zrr s ARG 42 CO 0.53 0.12 0.47 0.34 0.02 0.00 0.00 175.30 176.79 1zrr s ASP 43 N -3.91 6.29 0.43 0.23 -1.08 -1.26 -5.06 116.67 112.31 1zrr s ASP 43 Ca 0.41 -0.05 0.02 0.00 -0.52 0.00 0.00 52.55 52.41 1zrr s ASP 43 Cb -0.10 -2.25 -0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1zrr s ASP 43 CO 0.36 -0.43 0.63 -0.76 0.52 0.00 0.00 175.17 175.49 1zrr s LEU 44 N 2.29 3.70 0.00 -1.34 1.43 -1.26 -5.04 118.68 118.46 1zrr s LEU 44 Ca 0.17 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1zrr s LEU 44 Cb -0.16 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1zrr s LEU 44 CO 0.13 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1zrr n GLY 45 N -1.99 0.48 3.56 -3.19 0.00 -1.26 -5.04 105.19 97.75 1zrr n GLY 45 Ca 0.01 0.36 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.09 2.60 -0.49 4.61 0.00 -1.26 -4.91 121.76 121.22 1zrr s ALA 46 Ca 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 51.96 50.10 1zrr s ALA 46 Cb 0.00 -4.45 0.13 0.00 0.00 0.00 0.00 23.12 18.79 1zrr s ALA 46 CO 0.00 -3.66 0.24 0.00 0.00 0.00 0.00 175.76 172.33 1zrr s ALA 47 N 5.83 3.26 -0.12 0.00 0.00 -1.26 -4.93 121.76 124.55 1zrr s ALA 47 Ca 0.46 -3.12 0.24 0.00 0.00 0.00 0.00 51.96 49.54 1zrr s ALA 47 Cb -0.03 -2.18 0.68 0.00 0.00 0.00 0.00 23.12 21.59 1zrr s ALA 47 CO -0.01 -1.96 1.72 -1.00 0.00 0.00 0.00 175.76 174.51 1zrr h PRO 48 N 6.78 0.00 -6.25 0.00 0.13 -2.06 -3.44 132.00 127.16 1zrr h PRO 48 Ca -0.07 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.43 1zrr h PRO 48 Cb 0.92 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.77 1zrr h PRO 48 CO 0.66 0.15 -0.86 0.95 -0.23 0.00 0.00 178.00 178.67 1zrr s THR 49 N -3.38 1.79 -0.61 1.56 -4.23 -1.26 -5.01 115.64 104.50 1zrr s THR 49 Ca 0.03 -1.09 0.25 0.00 -1.18 0.00 0.00 61.69 59.70 1zrr s THR 49 Cb 0.08 -1.51 0.30 0.00 1.34 0.00 0.00 72.50 72.70 1zrr s THR 49 CO 0.65 0.39 1.69 0.00 -0.54 0.00 0.00 174.62 176.81 1zrr h ALA 50 N 5.25 0.98 -1.03 3.99 0.00 -1.99 -3.29 119.26 123.17 1zrr h ALA 50 Ca -0.42 0.00 0.29 0.00 0.00 0.00 0.00 54.91 54.78 1zrr h ALA 50 Cb 1.14 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 1zrr h ALA 50 CO 0.46 0.00 0.62 0.93 0.00 0.00 0.00 179.25 181.26 1zrr h GLU 51 N 0.00 0.42 0.20 0.00 4.39 -1.98 1.07 114.58 118.67 1zrr h GLU 51 Ca 0.00 -0.02 -0.32 0.00 0.34 0.00 0.00 59.36 59.35 1zrr h GLU 51 Cb 0.85 -0.09 0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1zrr h GLU 51 CO 0.00 0.27 -1.39 1.15 -1.16 0.00 0.00 179.01 177.89 1zrr h THR 52 N 0.43 1.29 -0.22 1.13 2.02 -2.00 -2.93 112.91 112.62 1zrr h THR 52 Ca 0.68 -2.63 -0.03 0.00 0.77 0.00 0.00 66.41 65.19 1zrr h THR 52 Cb 1.52 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 70.84 1zrr h THR 52 CO -0.48 0.79 0.02 0.58 0.37 0.00 0.00 175.52 176.80 1zrr h VAL 53 N 0.19 1.24 -0.59 3.16 2.07 -0.48 -2.66 116.25 119.18 1zrr h VAL 53 Ca -0.23 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1zrr h VAL 53 Cb 2.07 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 1zrr h VAL 53 CO 0.26 0.26 0.36 0.40 0.02 0.00 0.00 177.57 178.87 1zrr h ILE 54 N 0.17 1.16 0.00 4.57 2.04 0.83 -0.07 117.51 126.21 1zrr h ILE 54 Ca 0.07 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1zrr h ILE 54 Cb 0.36 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1zrr h ILE 54 CO 0.01 0.17 -0.09 0.00 0.00 0.00 0.00 178.15 178.24 1zrr h ALA 55 N 1.59 1.72 0.00 1.87 0.00 -1.28 2.20 119.26 125.36 1zrr h ALA 55 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1zrr h ALA 55 Cb -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1zrr h ALA 55 CO -0.04 0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.29 1zrr h ALA 56 N 1.91 0.98 0.00 0.00 0.00 -0.71 -3.27 119.26 118.17 1zrr h ALA 56 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zrr h ALA 56 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1zrr h ALA 56 CO 0.01 0.03 -0.63 0.66 0.00 0.00 0.00 179.25 179.33 1zrr n TYR 57 N -3.11 0.00 -0.38 0.00 4.01 -0.18 -4.56 117.16 112.95 1zrr n TYR 57 Ca 0.03 0.00 0.30 0.00 -0.16 0.00 0.00 57.90 58.08 1zrr n TYR 57 Cb 0.51 -0.05 0.59 0.00 -0.31 0.00 0.00 39.34 40.09 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 0.22 -0.56 -0.72 5.75 0.35 0.45 115.11 120.60 1zrr h GLN 58 Ca 0.00 -0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.59 1zrr h GLN 58 Cb 0.24 -0.05 -0.09 0.00 1.07 0.00 0.00 27.48 28.66 1zrr h GLN 58 CO 0.00 0.14 0.07 1.12 -2.65 0.00 0.00 178.83 177.51 1zrr h HIS 59 N 0.22 0.09 0.94 3.99 2.07 -1.80 2.86 115.15 123.52 1zrr h HIS 59 Ca 0.71 0.04 -0.05 0.00 -2.85 0.00 0.00 60.37 58.22 1zrr h HIS 59 Cb 2.07 0.05 0.01 0.00 2.57 0.00 0.00 27.41 32.11 1zrr h HIS 59 CO -0.00 -0.08 -0.45 0.00 -3.07 0.00 0.00 177.93 174.33 1zrr h ALA 60 N 1.47 -1.28 0.00 6.11 0.00 -0.43 -2.66 119.26 122.48 1zrr h ALA 60 Ca 0.29 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1zrr h ALA 60 Cb 0.44 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1zrr h ALA 60 CO -0.42 -1.18 -0.15 -0.84 0.00 0.00 0.00 179.25 176.66 1zrr h ILE 61 N -1.34 1.06 -0.26 0.00 -0.00 -1.34 -1.32 117.51 114.31 1zrr h ILE 61 Ca -0.13 -0.53 0.08 0.00 -0.00 0.00 0.00 64.86 64.28 1zrr h ILE 61 Cb 0.97 1.29 -0.01 0.00 -0.00 0.00 0.00 36.82 39.07 1zrr h ILE 61 CO 0.21 0.15 0.26 -0.78 -0.00 0.00 0.00 178.15 177.99 1zrr h ASP 62 N 0.00 0.00 0.45 2.16 1.82 0.55 0.83 116.42 122.22 1zrr h ASP 62 Ca -0.00 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.37 1zrr h ASP 62 Cb 0.27 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.29 1zrr h ASP 62 CO 0.02 0.00 -1.15 0.11 -1.61 0.00 0.00 179.24 176.61 1zrr h LYS 63 N 0.00 0.38 -0.74 0.28 1.57 -1.02 -2.82 116.57 114.22 1zrr h LYS 63 Ca 0.12 -0.53 -0.04 0.00 -1.87 0.00 0.00 60.65 58.33 1zrr h LYS 63 Cb 0.65 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1zrr h LYS 63 CO -0.00 1.21 0.30 -0.07 -0.57 0.00 0.00 179.45 180.32 1zrr h LEU 64 N 0.16 1.02 -1.04 2.94 4.07 -0.88 -2.02 115.31 119.56 1zrr h LEU 64 Ca -0.13 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.56 1zrr h LEU 64 Cb 1.84 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.30 1zrr h LEU 64 CO 0.20 0.92 -0.46 -0.37 -1.08 0.00 0.00 178.44 177.65 1zrr h VAL 65 N 1.07 1.23 -0.03 1.22 -1.51 -1.47 -0.02 116.25 116.74 1zrr h VAL 65 Ca 0.25 -1.61 0.03 0.00 -1.23 0.00 0.00 66.70 64.14 1zrr h VAL 65 Cb 0.21 1.89 -0.06 0.00 -2.13 0.00 0.00 31.29 31.21 1zrr h VAL 65 CO -0.02 0.45 -0.39 0.00 -1.23 0.00 0.00 177.57 176.38 1zrr h ALA 66 N 1.54 -0.59 0.03 5.19 0.00 -1.09 2.24 119.26 126.59 1zrr h ALA 66 Ca -0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1zrr h ALA 66 Cb 0.86 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1zrr h ALA 66 CO 0.06 -0.91 -0.60 0.93 0.00 0.00 0.00 179.25 178.73 1zrr h GLU 67 N -0.53 0.05 -0.55 0.00 5.08 -1.56 -3.33 114.58 113.75 1zrr h GLU 67 Ca 0.06 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1zrr h GLU 67 Cb 0.62 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1zrr h GLU 67 CO -0.32 1.04 0.00 1.63 -1.00 0.00 0.00 179.01 180.36 1zrr n LYS 68 N -4.44 2.08 0.00 2.33 5.02 -0.02 -4.94 118.16 118.19 1zrr n LYS 68 Ca -0.18 -1.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.97 1zrr n LYS 68 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.63 0.00 3.83 0.72 0.00 0.76 -4.79 105.19 106.34 1zrr n GLY 69 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 3.03 0.00 1.61 1.51 -1.26 -5.03 117.35 117.21 1zrr s TYR 70 Ca 0.00 1.13 0.00 0.00 -1.01 0.00 0.00 57.07 57.19 1zrr s TYR 70 Cb 0.00 -3.09 0.00 0.00 -0.11 0.00 0.00 41.96 38.76 1zrr s TYR 70 CO 0.00 -1.52 0.11 0.94 -1.11 0.00 0.00 175.55 173.96 1zrr n GLN 71 N -3.26 0.00 -4.02 -0.62 0.00 -1.26 -4.88 117.38 103.35 1zrr n GLN 71 Ca 0.07 0.00 -0.21 0.00 -0.00 0.00 0.00 57.00 56.86 1zrr n GLN 71 Cb 0.56 -0.55 -0.03 0.00 0.00 0.00 0.00 30.24 30.23 1zrr n GLN 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1zrr s SER 72 N -1.84 5.93 0.01 1.69 0.01 -1.01 -4.99 113.70 113.49 1zrr s SER 72 Ca 0.00 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.16 1zrr s SER 72 Cb 0.00 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.60 1zrr s SER 72 CO 0.00 -0.07 0.01 0.86 0.41 0.00 0.00 173.24 174.45 1zrr s TRP 73 N -2.06 0.12 0.18 2.43 -0.11 -1.26 -0.28 118.94 117.95 1zrr s TRP 73 Ca 0.34 -0.23 -0.13 0.00 1.22 0.00 0.00 56.10 57.30 1zrr s TRP 73 Cb -0.08 -0.09 0.05 0.00 -1.50 0.00 0.00 33.47 31.84 1zrr s TRP 73 CO 0.27 -0.13 0.63 -3.47 -4.62 0.00 0.00 176.95 169.64 1zrr n ASP 74 N 2.21 -1.30 -4.34 5.86 4.64 -1.14 -4.82 116.55 117.65 1zrr n ASP 74 Ca -0.19 -1.78 -0.31 0.00 -1.38 0.00 0.00 54.79 51.14 1zrr n ASP 74 Cb 0.57 2.14 -0.15 0.00 -1.04 0.00 0.00 41.12 42.64 1zrr n ASP 74 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1zrr s VAL 75 N -2.29 2.14 -0.33 5.18 0.11 -1.26 -2.77 120.40 121.18 1zrr s VAL 75 Ca 0.14 -1.27 -0.12 0.00 -2.93 0.00 0.00 61.98 57.79 1zrr s VAL 75 Cb -0.02 -1.80 -0.02 0.00 -1.53 0.00 0.00 36.38 33.01 1zrr s VAL 75 CO 0.05 0.45 0.21 -0.51 -3.33 0.00 0.00 175.10 171.97 1zrr s ILE 76 N -0.74 5.08 -0.30 7.04 1.10 -0.81 -4.93 121.20 127.64 1zrr s ILE 76 Ca 0.11 -0.26 -0.06 0.00 -0.51 0.00 0.00 60.65 59.93 1zrr s ILE 76 Cb -0.10 -3.59 0.19 0.00 0.15 0.00 0.00 42.46 39.11 1zrr s ILE 76 CO 0.01 0.03 0.89 -0.94 -2.11 0.00 0.00 174.94 172.82 1zrr s SER 77 N 1.69 -0.82 0.53 4.50 1.04 -1.26 -2.41 113.70 116.98 1zrr s SER 77 Ca 0.06 0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.70 1zrr s SER 77 Cb -0.17 1.56 0.01 0.00 0.10 0.00 0.00 66.02 67.52 1zrr s SER 77 CO 0.09 -0.15 0.08 -0.22 0.98 0.00 0.00 173.24 174.03 1zrr s LEU 78 N 2.92 2.28 0.13 2.42 0.20 -1.26 -4.96 118.68 120.41 1zrr s LEU 78 Ca 0.17 -1.62 -0.16 0.00 0.69 0.00 0.00 54.13 53.21 1zrr s LEU 78 Cb -0.07 -0.78 -0.07 0.00 -0.43 0.00 0.00 46.19 44.84 1zrr s LEU 78 CO -0.21 -0.97 0.56 -0.60 -0.29 0.00 0.00 176.35 174.84 1zrr s ARG 79 N -3.99 4.04 0.00 1.98 6.06 -1.26 -4.11 118.95 121.66 1zrr s ARG 79 Ca 0.07 0.56 0.03 0.00 -2.50 0.00 0.00 55.73 53.89 1zrr s ARG 79 Cb -0.00 -2.99 0.20 0.00 0.06 0.00 0.00 34.95 32.21 1zrr s ARG 79 CO 0.04 0.51 0.63 0.00 -2.50 0.00 0.00 175.30 173.98 1zrr n ALA 80 N 1.00 1.64 0.09 6.12 0.00 -1.26 -1.83 120.51 126.26 1zrr n ALA 80 Ca -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1zrr n ALA 80 Cb 0.52 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 1zrr n ALA 80 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1zrr h ASP 81 N 0.00 0.00 -2.66 0.00 3.45 -1.93 -3.44 116.42 111.84 1zrr h ASP 81 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 1zrr h ASP 81 Cb 0.00 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1zrr h ASP 81 CO 0.00 0.86 1.02 0.54 -1.57 0.00 0.00 179.24 180.09 1zrr s ASN 82 N -6.68 6.58 0.00 6.45 2.20 -0.76 -4.86 114.94 117.87 1zrr s ASN 82 Ca 0.01 2.51 0.27 0.00 -0.94 0.00 0.00 52.86 54.72 1zrr s ASN 82 Cb 0.10 -2.56 1.24 0.00 -2.00 0.00 0.00 41.25 38.03 1zrr s ASN 82 CO 0.80 -0.90 1.90 -0.81 -2.94 0.00 0.00 177.10 175.14 1zrr n PRO 83 N 5.68 0.13 -0.08 3.55 -0.04 -1.26 -3.17 135.00 139.82 1zrr n PRO 83 Ca 0.16 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1zrr n PRO 83 Cb 0.40 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.75 1zrr n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zrr n GLN 84 N -1.43 1.72 0.03 0.54 10.64 -1.26 -4.12 117.38 123.51 1zrr n GLN 84 Ca 0.09 -1.08 -0.12 0.00 -1.83 0.00 0.00 57.00 54.06 1zrr n GLN 84 Cb 0.28 -1.40 -0.07 0.00 -0.86 0.00 0.00 30.24 28.20 1zrr n GLN 84 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1zrr h LYS 85 N 2.19 0.02 -0.67 2.61 1.63 -1.94 -0.97 116.57 119.46 1zrr h LYS 85 Ca 0.00 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1zrr h LYS 85 Cb 0.48 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 1zrr h LYS 85 CO 0.00 0.02 0.29 1.49 -3.45 0.00 0.00 179.45 177.80 1zrr h GLU 86 N 0.03 0.98 -0.87 1.90 4.81 -1.86 -2.39 114.58 117.17 1zrr h GLU 86 Ca 0.01 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1zrr h GLU 86 Cb -0.00 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.16 1zrr h GLU 86 CO -0.00 0.80 0.57 0.00 -0.73 0.00 0.00 179.01 179.64 1zrr h ALA 87 N 1.13 1.50 -0.72 2.92 0.00 -1.67 -1.50 119.26 120.92 1zrr h ALA 87 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1zrr h ALA 87 Cb 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1zrr h ALA 87 CO -0.02 0.39 0.46 -0.07 0.00 0.00 0.00 179.25 180.01 1zrr h LEU 88 N 1.03 0.84 -1.89 0.00 -0.00 -0.67 -1.20 115.31 113.42 1zrr h LEU 88 Ca 0.36 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 58.20 1zrr h LEU 88 Cb 0.11 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 40.56 1zrr h LEU 88 CO -0.12 0.62 0.02 0.03 -0.00 0.00 0.00 178.44 178.99 1zrr h ARG 89 N 0.98 0.09 0.74 1.13 3.08 -1.11 -1.50 114.38 117.78 1zrr h ARG 89 Ca 0.26 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1zrr h ARG 89 Cb -0.09 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1zrr h ARG 89 CO -0.05 0.08 -0.35 0.93 -1.07 0.00 0.00 179.97 179.50 1zrr h GLU 90 N 0.09 -0.95 -0.44 0.04 4.39 -0.87 1.13 114.58 117.96 1zrr h GLU 90 Ca 0.02 0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.87 1zrr h GLU 90 Cb 0.03 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1zrr h GLU 90 CO -0.00 -0.64 0.30 0.87 -1.16 0.00 0.00 179.01 178.38 1zrr h LYS 91 N -1.24 0.25 0.00 2.33 1.57 -1.34 0.74 116.57 118.87 1zrr h LYS 91 Ca -0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1zrr h LYS 91 Cb 0.76 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1zrr h LYS 91 CO 0.17 0.16 -0.51 0.74 -0.57 0.00 0.00 179.45 179.44 1zrr h PHE 92 N 0.26 0.00 -0.94 -1.35 0.04 -1.11 -3.32 116.94 110.51 1zrr h PHE 92 Ca 0.20 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.97 1zrr h PHE 92 Cb 0.46 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 1zrr h PHE 92 CO -0.00 0.00 0.57 1.25 -0.60 0.00 0.00 178.31 179.53 1zrr h LEU 93 N 0.00 1.13 -9.18 1.54 7.12 0.38 -3.38 115.31 112.92 1zrr h LEU 93 Ca 0.00 -0.07 -0.73 0.00 0.13 0.00 0.00 57.88 57.22 1zrr h LEU 93 Cb 0.91 -0.28 0.04 0.00 -0.53 0.00 0.00 40.66 40.79 1zrr h LEU 93 CO 0.00 0.86 0.61 -0.46 -0.13 0.00 0.00 178.44 179.33 1zrr n ASN 94 N -4.36 1.77 -4.47 1.25 0.23 -1.22 -4.60 115.26 103.86 1zrr n ASN 94 Ca 0.10 1.11 -0.30 0.00 -0.53 0.00 0.00 54.58 54.96 1zrr n ASN 94 Cb 0.06 -1.13 0.21 0.00 -2.08 0.00 0.00 39.78 36.84 1zrr n ASN 94 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1zrr n GLU 95 N 3.65 -1.66 -1.54 -3.83 0.28 -1.26 -4.88 120.64 111.41 1zrr n GLU 95 Ca 0.23 -0.45 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 1zrr n GLU 95 Cb 0.14 -2.08 0.00 0.00 1.43 0.00 0.00 31.44 30.93 1zrr n GLU 95 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1zrr n HIS 96 N -4.58 -0.32 -3.64 -1.84 1.44 -1.02 -4.33 115.22 100.93 1zrr n HIS 96 Ca 0.05 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.67 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 -2.34 0.00 0.19 0.61 -1.32 -1.21 -2.44 115.64 109.13 1zrr s THR 97 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 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 0.10 -1.00 -2.21 0.00 0.00 174.62 171.51 1zrr s HIS 98 N 0.84 3.03 -1.31 9.09 0.09 -1.26 -1.57 115.29 124.20 1zrr s HIS 98 Ca -0.03 -0.08 0.26 0.00 -0.00 0.00 0.00 55.06 55.20 1zrr s HIS 98 Cb -0.05 -1.43 1.24 0.00 -0.00 0.00 0.00 32.58 32.34 1zrr s HIS 98 CO -0.09 0.53 1.86 0.41 -0.00 0.00 0.00 174.74 177.44 1zrr n GLY 99 N -0.49 -1.21 3.56 -2.22 0.00 -1.25 -1.76 105.19 101.82 1zrr n GLY 99 Ca -0.08 -0.11 -0.26 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 -2.69 1.85 0.33 1.61 2.02 -1.26 -4.77 118.70 115.78 1zrr s GLU 100 Ca 0.21 -2.05 -0.27 0.00 0.02 0.00 0.00 54.97 52.88 1zrr s GLU 100 Cb 0.17 -1.30 -0.09 0.00 0.10 0.00 0.00 34.13 33.01 1zrr s GLU 100 CO 0.41 -0.13 1.04 -0.51 0.02 0.00 0.00 175.26 176.09 1zrr s ASP 101 N -3.63 7.13 -0.69 -0.19 -0.00 -1.26 -3.89 116.67 114.13 1zrr s ASP 101 Ca 0.34 2.07 -0.15 0.00 -0.00 0.00 0.00 52.55 54.81 1zrr s ASP 101 Cb 0.09 -2.60 0.18 0.00 -0.00 0.00 0.00 42.92 40.59 1zrr s ASP 101 CO 0.16 -0.23 0.64 -0.70 -0.00 0.00 0.00 175.17 175.04 1zrr s GLU 102 N -1.91 3.31 -0.10 8.23 2.12 -0.50 -4.90 118.70 124.94 1zrr s GLU 102 Ca 0.50 -2.12 -0.18 0.00 0.36 0.00 0.00 54.97 53.52 1zrr s GLU 102 Cb -0.25 -4.36 -0.04 0.00 0.26 0.00 0.00 34.13 29.74 1zrr s GLU 102 CO 0.32 -1.31 0.49 0.14 -0.54 0.00 0.00 175.26 174.37 1zrr s VAL 103 N 0.81 5.16 -0.08 3.70 -7.23 -1.26 -1.95 120.40 119.55 1zrr s VAL 103 Ca 0.11 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.27 1zrr s VAL 103 Cb -0.19 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 32.94 1zrr s VAL 103 CO -0.03 0.34 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.44 1zrr s ARG 104 N 0.52 1.16 -0.16 4.82 3.52 -0.92 -4.57 118.95 123.32 1zrr s ARG 104 Ca 0.27 -0.15 -0.06 0.00 -0.13 0.00 0.00 55.73 55.65 1zrr s ARG 104 Cb -0.15 -1.23 -0.04 0.00 -1.56 0.00 0.00 34.95 31.96 1zrr s ARG 104 CO 0.11 -0.19 0.04 0.12 -0.81 0.00 0.00 175.30 174.58 1zrr s PHE 105 N 1.43 3.22 -0.11 5.12 2.19 -1.12 -3.11 117.98 125.60 1zrr s PHE 105 Ca -0.02 0.06 -0.22 0.00 0.33 0.00 0.00 56.93 57.08 1zrr s PHE 105 Cb -0.13 -2.01 -0.03 0.00 -1.31 0.00 0.00 43.02 39.53 1zrr s PHE 105 CO -0.04 0.20 0.65 -0.06 1.83 0.00 0.00 175.22 177.80 1zrr s PHE 106 N 0.11 3.52 -0.07 10.12 2.99 -1.26 -0.16 117.98 133.22 1zrr s PHE 106 Ca 0.04 1.11 0.07 0.00 0.00 0.00 0.00 56.93 58.15 1zrr s PHE 106 Cb -0.12 -2.76 -0.09 0.00 0.00 0.00 0.00 43.02 40.04 1zrr s PHE 106 CO 0.01 0.04 0.03 0.28 -0.00 0.00 0.00 175.22 175.58 1zrr n VAL 107 N 3.98 0.50 -3.53 -0.44 0.31 -0.02 -4.47 118.33 114.65 1zrr n VAL 107 Ca -0.02 -0.31 -0.08 0.00 -0.01 0.00 0.00 64.34 63.91 1zrr n VAL 107 Cb 0.51 -0.76 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 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 -2.19 0.68 0.05 5.55 2.12 -0.17 -4.90 118.70 119.83 1zrr s GLU 108 Ca -0.04 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1zrr s GLU 108 Cb 0.02 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.73 1zrr s GLU 108 CO 0.31 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 1zrr n GLY 109 N -0.03 -2.89 3.44 -1.50 0.00 -1.26 -0.74 105.19 102.22 1zrr n GLY 109 Ca -0.07 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.11 2.61 0.00 4.61 0.00 -1.26 -4.80 121.76 118.81 1zrr s ALA 110 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.25 1zrr s ALA 110 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1zrr s ALA 110 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.55 1zrr n GLY 111 N -0.02 3.58 3.35 0.00 0.00 -1.26 -4.98 105.19 105.85 1zrr n GLY 111 Ca -0.10 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1zrr n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zrr s LEU 112 N 0.00 0.86 -0.35 0.99 1.43 -1.26 -4.74 118.68 115.61 1zrr s LEU 112 Ca 0.00 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1zrr s LEU 112 Cb 0.00 1.34 0.13 0.00 0.03 0.00 0.00 46.19 47.70 1zrr s LEU 112 CO 0.00 -0.90 0.20 0.12 0.23 0.00 0.00 176.35 176.00 1zrr s PHE 113 N -3.93 0.84 -0.28 0.29 2.19 -1.00 -4.74 117.98 111.35 1zrr s PHE 113 Ca 0.14 -1.62 -0.29 0.00 0.33 0.00 0.00 56.93 55.49 1zrr s PHE 113 Cb 0.03 -1.05 0.01 0.00 -1.31 0.00 0.00 43.02 40.70 1zrr s PHE 113 CO -0.02 -0.83 1.17 0.00 1.83 0.00 0.00 175.22 177.37 1zrr s LEU 115 N 3.79 4.09 -0.41 0.00 1.98 -0.43 -4.28 118.68 123.41 1zrr s LEU 115 Ca 0.50 -1.65 -0.14 0.00 -2.89 0.00 0.00 54.13 49.95 1zrr s LEU 115 Cb -0.15 -1.63 0.03 0.00 0.66 0.00 0.00 46.19 45.09 1zrr s LEU 115 CO 0.16 -0.29 0.28 -2.28 -1.89 0.00 0.00 176.35 172.33 1zrr s HIS 116 N 1.08 3.24 -0.22 5.38 5.65 -1.24 -1.40 115.29 127.78 1zrr s HIS 116 Ca -0.01 -0.74 0.01 0.00 0.25 0.00 0.00 55.06 54.57 1zrr s HIS 116 Cb -0.20 -2.60 0.05 0.00 -1.18 0.00 0.00 32.58 28.66 1zrr s HIS 116 CO -0.05 -0.63 -0.07 0.42 -0.65 0.00 0.00 174.74 173.76 1zrr s ILE 117 N 1.64 1.53 0.00 0.89 -1.09 -1.22 -4.31 121.20 118.64 1zrr s ILE 117 Ca 0.04 -1.11 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 1zrr s ILE 117 Cb -0.20 -1.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1zrr s ILE 117 CO 0.09 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 1zrr n GLY 118 N 4.69 0.66 3.23 6.18 0.00 -1.26 -3.88 105.19 114.81 1zrr n GLY 118 Ca -0.13 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1zrr n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1zrr n ASP 119 N 2.72 5.13 -3.69 1.61 5.75 -1.26 -4.95 116.55 121.86 1zrr n ASP 119 Ca 0.00 -3.10 -0.05 0.00 -0.01 0.00 0.00 54.79 51.63 1zrr n ASP 119 Cb 0.00 -1.25 -0.02 0.00 -1.03 0.00 0.00 41.12 38.82 1zrr n ASP 119 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1zrr s GLU 120 N -1.45 1.16 0.09 0.11 2.12 -1.25 -4.61 118.70 114.88 1zrr s GLU 120 Ca 0.30 -0.60 0.05 0.00 0.36 0.00 0.00 54.97 55.08 1zrr s GLU 120 Cb -0.08 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 1zrr s GLU 120 CO -0.08 -0.53 -0.14 0.08 -0.54 0.00 0.00 175.26 174.05 1zrr s VAL 121 N -3.32 1.17 -0.04 3.70 1.01 -0.88 -3.37 120.40 118.67 1zrr s VAL 121 Ca 0.10 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1zrr s VAL 121 Cb -0.02 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1zrr s VAL 121 CO -0.00 -0.31 -0.10 -0.36 0.00 0.00 0.00 175.10 174.32 1zrr s PHE 122 N -1.65 1.15 -0.25 5.22 0.40 -0.49 -2.78 117.98 119.58 1zrr s PHE 122 Ca 0.02 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.03 1zrr s PHE 122 Cb -0.08 -0.84 0.06 0.00 0.51 0.00 0.00 43.02 42.68 1zrr s PHE 122 CO 0.02 -0.17 -0.09 -0.65 0.70 0.00 0.00 175.22 175.04 1zrr s GLN 123 N 0.41 1.99 -0.14 0.44 1.11 0.97 -1.32 119.66 123.12 1zrr s GLN 123 Ca -0.08 -1.20 -0.05 0.00 0.01 0.00 0.00 55.36 54.04 1zrr s GLN 123 Cb -0.12 -2.76 -0.04 0.00 -1.01 0.00 0.00 33.01 29.08 1zrr s GLN 123 CO 0.02 -0.58 0.04 0.08 0.01 0.00 0.00 175.29 174.86 1zrr s VAL 124 N 1.22 4.63 -0.38 1.09 1.01 -1.17 0.25 120.40 127.05 1zrr s VAL 124 Ca -0.08 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1zrr s VAL 124 Cb -0.19 -3.03 0.14 0.00 0.00 0.00 0.00 36.38 33.29 1zrr s VAL 124 CO -0.06 0.52 0.22 -0.76 0.00 0.00 0.00 175.10 175.02 1zrr s LEU 125 N -0.15 1.69 -0.29 3.92 1.02 -1.18 -2.38 118.68 121.32 1zrr s LEU 125 Ca 0.06 -2.32 -0.16 0.00 0.02 0.00 0.00 54.13 51.74 1zrr s LEU 125 Cb -0.12 -0.67 0.13 0.00 0.02 0.00 0.00 46.19 45.55 1zrr s LEU 125 CO 0.01 -0.30 0.88 0.00 0.02 0.00 0.00 176.35 176.97 1zrr s GLU 127 N 1.58 2.64 0.26 0.00 2.12 -1.26 -4.95 118.70 119.09 1zrr s GLU 127 Ca -0.09 -2.05 0.09 0.00 0.36 0.00 0.00 54.97 53.29 1zrr s GLU 127 Cb -0.05 -3.94 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 1zrr s GLU 127 CO -0.17 -1.20 0.00 0.15 -0.54 0.00 0.00 175.26 173.50 1zrr s LYS 128 N 0.85 2.32 0.00 4.30 1.02 -1.26 -4.95 119.74 122.01 1zrr s LYS 128 Ca 0.10 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.70 1zrr s LYS 128 Cb -0.22 -2.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1zrr s LYS 128 CO -0.03 0.37 0.64 0.09 -0.92 0.00 0.00 175.35 175.50 1zrr n ASN 129 N -0.87 0.00 -4.77 2.83 5.03 -1.26 -4.53 115.26 111.69 1zrr n ASN 129 Ca -0.07 0.18 -0.39 0.00 0.87 0.00 0.00 54.58 55.18 1zrr n ASN 129 Cb 0.59 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 39.16 1zrr n ASN 129 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1zrr s ASP 130 N -2.28 6.32 -0.02 6.41 1.01 -1.26 -4.11 116.67 122.74 1zrr s ASP 130 Ca 0.00 2.58 0.02 0.00 0.71 0.00 0.00 52.55 55.86 1zrr s ASP 130 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1zrr s ASP 130 CO 0.00 -0.83 -0.07 -0.22 0.21 0.00 0.00 175.17 174.26 1zrr s LEU 131 N -2.49 3.16 0.04 1.23 2.96 -1.19 -4.18 118.68 118.23 1zrr s LEU 131 Ca 0.57 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.42 1zrr s LEU 131 Cb -0.36 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1zrr s LEU 131 CO 0.46 0.31 -0.11 0.27 -1.32 0.00 0.00 176.35 175.96 1zrr s ILE 132 N -0.93 0.87 0.05 6.68 -4.36 -1.18 -3.03 121.20 119.30 1zrr s ILE 132 Ca 0.15 -1.03 0.01 0.00 -0.26 0.00 0.00 60.65 59.52 1zrr s ILE 132 Cb -0.11 -0.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.73 1zrr s ILE 132 CO 0.05 -0.17 -0.06 -0.55 0.24 0.00 0.00 174.94 174.45 1zrr s SER 133 N -1.34 0.79 -0.04 4.36 0.15 -1.25 -2.16 113.70 114.22 1zrr s SER 133 Ca -0.03 -0.71 -0.01 0.00 0.70 0.00 0.00 55.95 55.90 1zrr s SER 133 Cb -0.09 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1zrr s SER 133 CO 0.01 -0.33 0.03 -0.69 1.20 0.00 0.00 173.24 173.46 1zrr s VAL 134 N -2.27 4.45 0.64 4.45 1.01 -0.82 -2.18 120.40 125.67 1zrr s VAL 134 Ca -0.03 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1zrr s VAL 134 Cb -0.04 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1zrr s VAL 134 CO -0.02 0.46 1.17 -2.16 0.00 0.00 0.00 175.10 174.55 1zrr s PRO 135 N -1.34 2.75 0.19 2.72 0.04 -1.26 -1.41 135.00 136.69 1zrr s PRO 135 Ca 0.18 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 1zrr s PRO 135 Cb -0.12 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 1zrr s PRO 135 CO 0.08 -1.34 1.27 0.00 0.04 0.00 0.00 177.00 177.05 1zrr s ALA 136 N -1.95 3.50 0.00 8.56 0.00 -1.25 -2.81 121.76 127.80 1zrr s ALA 136 Ca 0.73 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1zrr s ALA 136 Cb -0.26 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1zrr s ALA 136 CO 0.38 -0.49 0.00 1.58 0.00 0.00 0.00 175.76 177.23 1zrr n HIS 137 N 2.58 0.00 -3.92 0.00 -0.00 -0.72 -4.94 115.22 108.23 1zrr n HIS 137 Ca 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.42 1zrr n HIS 137 Cb 0.43 -0.03 -0.11 0.00 -0.00 0.00 0.00 29.99 30.29 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 4.69 0.19 3.57 2.01 -1.12 -5.01 115.64 117.96 1zrr s THR 138 Ca 0.00 -0.06 -0.31 0.00 0.31 0.00 0.00 61.69 61.63 1zrr s THR 138 Cb 0.00 -3.14 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 1zrr s THR 138 CO 0.00 0.41 1.52 -2.16 -0.69 0.00 0.00 174.62 173.70 1zrr s PRO 139 N 0.81 4.24 -0.01 4.92 0.04 -1.26 -4.62 135.00 139.12 1zrr s PRO 139 Ca 0.04 2.32 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 1zrr s PRO 139 Cb -0.13 -3.15 0.10 0.00 0.04 0.00 0.00 34.50 31.36 1zrr s PRO 139 CO 0.02 -0.54 1.03 -3.38 0.04 0.00 0.00 177.00 174.17 1zrr s HIS 140 N 0.80 -0.21 0.00 0.56 -3.43 -1.02 -3.72 115.29 108.27 1zrr s HIS 140 Ca 0.66 0.05 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 0.35 -0.50 0.00 -2.67 -2.00 0.00 0.00 174.74 169.91 1zrr n TRP 141 N -0.30 0.00 -3.51 0.38 2.14 -1.26 -2.44 117.44 112.45 1zrr n TRP 141 Ca -0.06 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.53 1zrr n TRP 141 Cb 0.61 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.05 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 1.66 -0.12 -0.07 -2.67 2.19 -1.26 -4.78 117.98 112.93 1zrr s PHE 142 Ca 0.00 0.23 -0.04 0.00 0.33 0.00 0.00 56.93 57.45 1zrr s PHE 142 Cb 0.00 0.07 0.03 0.00 -1.31 0.00 0.00 43.02 41.81 1zrr s PHE 142 CO 0.00 -0.06 0.16 0.16 1.83 0.00 0.00 175.22 177.31 1zrr s ASP 143 N 1.39 -0.15 -0.17 6.13 -4.77 -1.26 -4.41 116.67 113.43 1zrr s ASP 143 Ca -0.06 0.34 0.17 0.00 -3.30 0.00 0.00 52.55 49.70 1zrr s ASP 143 Cb -0.02 0.27 0.48 0.00 -1.09 0.00 0.00 42.92 42.56 1zrr s ASP 143 CO -0.12 -0.11 1.37 0.23 0.70 0.00 0.00 175.17 177.24 1zrr n MET 144 N 3.71 2.54 0.00 2.11 2.81 -1.26 -4.12 117.12 122.91 1zrr n MET 144 Ca -0.21 -2.81 0.00 0.00 -1.81 0.00 0.00 57.70 52.87 1zrr n MET 144 Cb 0.55 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 -0.73 0.00 3.62 3.03 0.00 -1.26 -3.07 105.19 106.78 1zrr n GLY 145 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1zrr n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zrr s SER 146 N 0.00 6.71 -0.25 1.61 0.01 -1.26 -4.83 113.70 115.68 1zrr s SER 146 Ca 0.00 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1zrr s SER 146 Cb 0.00 -2.42 0.04 0.00 0.21 0.00 0.00 66.02 63.85 1zrr s SER 146 CO 0.00 -0.62 -0.08 -1.83 0.41 0.00 0.00 173.24 171.11 1zrr s GLU 147 N 3.00 2.59 -0.63 12.44 4.04 -1.18 -4.97 118.70 133.99 1zrr s GLU 147 Ca 0.34 -1.13 -0.01 0.00 0.04 0.00 0.00 54.97 54.21 1zrr s GLU 147 Cb -0.14 -2.94 0.44 0.00 0.02 0.00 0.00 34.13 31.52 1zrr s GLU 147 CO 0.12 -0.47 1.91 -0.35 -1.84 0.00 0.00 175.26 174.62 1zrr n PRO 148 N 4.58 2.84 -1.37 -4.83 -0.04 -1.26 -4.54 135.00 130.38 1zrr n PRO 148 Ca -0.16 -3.45 0.00 0.00 -0.04 0.00 0.00 63.50 59.85 1zrr n PRO 148 Cb 0.45 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 -0.85 -1.82 -4.87 3.54 4.05 -1.26 -4.79 115.26 109.26 1zrr n ASN 149 Ca 0.59 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 55.27 1zrr n ASN 149 Cb 0.67 -0.91 -0.05 0.00 1.23 0.00 0.00 39.78 40.71 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 -2.57 3.59 -0.19 1.20 -0.12 -1.26 -4.69 117.98 113.94 1zrr s PHE 150 Ca 0.00 0.72 -0.02 0.00 -0.05 0.00 0.00 56.93 57.57 1zrr s PHE 150 Cb 0.00 -2.10 -0.01 0.00 -0.63 0.00 0.00 43.02 40.28 1zrr s PHE 150 CO 0.00 0.57 -0.08 0.99 -0.05 0.00 0.00 175.22 176.65 1zrr s THR 151 N -1.32 3.18 0.10 -4.49 2.01 0.08 -3.99 115.64 111.22 1zrr s THR 151 Ca 0.30 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1zrr s THR 151 Cb -0.14 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1zrr s THR 151 CO 0.16 0.46 0.10 0.00 -0.69 0.00 0.00 174.62 174.66 1zrr s ALA 152 N 1.12 0.37 -0.19 7.40 0.00 -1.01 -0.84 121.76 128.62 1zrr s ALA 152 Ca 0.01 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.81 1zrr s ALA 152 Cb -0.14 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 1zrr s ALA 152 CO -0.02 -0.49 0.01 0.42 0.00 0.00 0.00 175.76 175.68 1zrr s ILE 153 N -3.96 4.14 0.15 0.00 1.01 0.77 -1.92 121.20 121.39 1zrr s ILE 153 Ca 0.14 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1zrr s ILE 153 Cb 0.06 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1zrr s ILE 153 CO -0.05 0.45 0.01 -0.13 0.00 0.00 0.00 174.94 175.22 1zrr s ARG 154 N 0.73 1.02 -0.02 2.79 0.52 -1.11 -2.81 118.95 120.07 1zrr s ARG 154 Ca 0.00 -1.48 -0.02 0.00 -0.52 0.00 0.00 55.73 53.72 1zrr s ARG 154 Cb -0.14 -0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.19 1zrr s ARG 154 CO 0.02 -0.16 0.12 0.42 0.02 0.00 0.00 175.30 175.73 1zrr s ILE 155 N -3.77 5.04 -0.29 1.52 1.09 -1.26 -2.89 121.20 120.64 1zrr s ILE 155 Ca 0.22 -0.27 -0.15 0.00 -1.10 0.00 0.00 60.65 59.35 1zrr s ILE 155 Cb 0.06 -3.31 -0.03 0.00 -1.06 0.00 0.00 42.46 38.13 1zrr s ILE 155 CO 0.02 0.37 0.39 -0.36 -0.10 0.00 0.00 174.94 175.26 1zrr s PHE 156 N -1.22 3.23 0.17 3.97 2.99 0.62 -4.89 117.98 122.85 1zrr s PHE 156 Ca 0.24 0.34 0.02 0.00 0.00 0.00 0.00 56.93 57.52 1zrr s PHE 156 Cb -0.12 -2.63 -0.05 0.00 0.00 0.00 0.00 43.02 40.22 1zrr s PHE 156 CO 0.15 -0.29 -0.00 0.34 -0.00 0.00 0.00 175.22 175.41 1zrr s ASP 157 N 1.66 1.20 0.37 1.36 2.15 -1.26 -2.41 116.67 119.74 1zrr s ASP 157 Ca 0.15 -1.16 -0.00 0.00 0.43 0.00 0.00 52.55 51.97 1zrr s ASP 157 Cb -0.16 0.12 -0.03 0.00 -0.30 0.00 0.00 42.92 42.55 1zrr s ASP 157 CO 0.10 -0.56 0.58 0.20 -0.17 0.00 0.00 175.17 175.32 1zrr s ASN 158 N -3.16 6.27 0.06 -0.34 0.02 -1.26 -5.02 114.94 111.49 1zrr s ASN 158 Ca 0.23 0.48 -0.30 0.00 -1.02 0.00 0.00 52.86 52.26 1zrr s ASN 158 Cb 0.06 -2.02 -0.18 0.00 0.02 0.00 0.00 41.25 39.13 1zrr s ASN 158 CO 0.03 -0.35 1.53 1.55 0.02 0.00 0.00 177.10 179.89 1zrr h PRO 159 N 0.68 -0.68 0.00 -0.60 0.13 -2.02 -2.20 132.00 127.31 1zrr h PRO 159 Ca -0.49 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1zrr h PRO 159 Cb 1.22 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1zrr h PRO 159 CO 0.61 -0.42 0.62 1.49 -0.23 0.00 0.00 178.00 180.07 1zrr h GLU 160 N -0.79 0.00 -0.07 0.86 4.81 -2.02 0.94 114.58 118.31 1zrr h GLU 160 Ca -0.07 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1zrr h GLU 160 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1zrr h GLU 160 CO 0.12 0.00 -0.23 0.78 -0.73 0.00 0.00 179.01 178.95 1zrr h GLY 161 N 0.00 0.30 -2.49 1.92 0.00 -1.79 -3.45 103.07 97.56 1zrr h GLY 161 Ca 0.00 -0.40 -0.51 0.00 0.00 0.00 0.00 47.33 46.42 1zrr h GLY 161 CO 0.00 0.36 -0.47 0.66 0.00 0.00 0.00 176.54 177.09 1zrr s TRP 162 N -3.74 2.86 0.05 5.60 -2.14 0.32 -3.89 118.94 118.01 1zrr s TRP 162 Ca -0.15 -0.32 0.00 0.00 2.66 0.00 0.00 56.10 58.30 1zrr s TRP 162 Cb 0.03 -1.76 -0.04 0.00 -3.10 0.00 0.00 33.47 28.60 1zrr s TRP 162 CO 0.75 0.22 0.19 0.42 -2.66 0.00 0.00 176.95 175.88 1zrr s ILE 163 N -2.33 5.30 0.00 0.66 1.01 -0.61 -4.89 121.20 120.34 1zrr s ILE 163 Ca 0.40 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1zrr s ILE 163 Cb -0.05 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1zrr s ILE 163 CO 0.26 0.16 0.64 0.00 0.00 0.00 0.00 174.94 176.00 1zrr n ALA 164 N 0.38 -0.30 -2.20 9.38 0.00 -1.26 -3.31 120.51 123.19 1zrr n ALA 164 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1zrr n ALA 164 Cb 0.51 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 -2.18 0.59 -0.25 0.00 -0.21 -1.26 -3.57 119.66 112.79 1zrr s GLN 165 Ca 0.00 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.24 1zrr s GLN 165 Cb 0.00 0.21 -0.15 0.00 1.00 0.00 0.00 33.01 34.06 1zrr s GLN 165 CO 0.00 -0.11 -0.23 0.34 -2.12 0.00 0.00 175.29 173.17 1zrr n PHE 166 N 0.25 0.00 -0.09 0.91 -0.00 -1.26 -4.64 117.46 112.62 1zrr n PHE 166 Ca -0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.21 1zrr n PHE 166 Cb 0.60 -0.94 -0.14 0.00 -0.00 0.00 0.00 39.48 39.01 1zrr n PHE 166 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1zrr n THR 167 N -3.32 1.22 0.00 -2.13 -2.24 -1.26 -5.00 114.28 101.55 1zrr n THR 167 Ca -0.44 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 1zrr n THR 167 Cb 0.95 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1zrr n THR 167 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zrr n GLY 168 N 1.92 0.32 3.82 3.38 0.00 -1.26 -5.08 105.19 108.30 1zrr n GLY 168 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.22 6.97 -0.73 1.61 -0.00 -1.26 -5.02 116.67 116.02 1zrr s ASP 169 Ca 0.00 1.58 -0.05 0.00 -0.00 0.00 0.00 52.55 54.07 1zrr s ASP 169 Cb 0.00 -2.49 0.19 0.00 -0.00 0.00 0.00 42.92 40.62 1zrr s ASP 169 CO 0.00 -0.23 0.59 -1.81 -0.00 0.00 0.00 175.17 173.72 1zrr s ASP 170 N -2.06 5.74 0.35 0.27 1.01 -1.26 -4.76 116.67 115.96 1zrr s ASP 170 Ca 0.56 -2.99 0.19 0.00 0.71 0.00 0.00 52.55 51.02 1zrr s ASP 170 Cb -0.12 -1.95 0.35 0.00 1.01 0.00 0.00 42.92 42.21 1zrr s ASP 170 CO 0.17 -0.38 1.58 -0.29 0.21 0.00 0.00 175.17 176.46 1zrr h ILE 171 N 4.91 0.61 -0.84 0.77 2.10 -1.95 -3.17 117.51 119.94 1zrr h ILE 171 Ca 0.05 -1.68 0.00 0.00 1.08 0.00 0.00 64.86 64.31 1zrr h ILE 171 Cb 0.95 2.17 -0.04 0.00 -1.09 0.00 0.00 36.82 38.80 1zrr h ILE 171 CO 0.75 0.32 0.54 0.00 -1.08 0.00 0.00 178.15 178.68 1zrr h ALA 172 N 1.67 1.07 0.00 0.18 0.00 -1.89 -0.35 119.26 119.95 1zrr h ALA 172 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1zrr h ALA 172 Cb 1.14 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1zrr h ALA 172 CO 0.04 0.50 0.04 -1.13 0.00 0.00 0.00 179.25 178.71 1zrr n SER 173 N -4.47 0.00 0.13 0.00 3.41 -1.20 -1.33 113.62 110.17 1zrr n SER 173 Ca 0.09 0.11 -0.24 0.00 -0.26 0.00 0.00 58.87 58.57 1zrr n SER 173 Cb 0.03 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 1zrr n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zrr h ALA 174 N 1.46 -0.11 -0.32 7.33 0.00 -1.25 -3.36 119.26 123.01 1zrr h ALA 174 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 1zrr h ALA 174 Cb 0.08 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1zrr h ALA 174 CO 0.00 0.70 -0.01 0.66 0.00 0.00 0.00 179.25 180.60 1zrr n TYR 175 N -3.74 1.06 0.31 0.00 4.02 -0.44 -4.78 117.16 113.59 1zrr n TYR 175 Ca -0.16 -1.22 0.20 0.00 -0.01 0.00 0.00 57.90 56.71 1zrr n TYR 175 Cb 1.07 -0.41 0.97 0.00 -0.02 0.00 0.00 39.34 40.95 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 1.38 0.00 -5.74 -0.72 0.13 -1.70 -3.41 132.00 121.94 1zrr h PRO 176 Ca 0.12 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.66 1zrr h PRO 176 Cb 1.58 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.62 1zrr h PRO 176 CO 0.32 0.00 0.08 1.03 -0.23 0.00 0.00 178.00 179.20 1zrr s ARG 177 N -3.91 4.27 -0.24 0.86 1.81 -1.26 -4.04 118.95 116.43 1zrr s ARG 177 Ca -0.02 0.64 -0.22 0.00 -1.72 0.00 0.00 55.73 54.41 1zrr s ARG 177 Cb 0.11 -3.53 -0.02 0.00 -0.45 0.00 0.00 34.95 31.06 1zrr s ARG 177 CO 0.43 -0.13 0.70 -1.17 -0.68 0.00 0.00 175.30 174.45 1zrr s LEU 178 N 1.54 4.08 0.00 2.53 2.96 -1.26 -4.89 118.68 123.64 1zrr s LEU 178 Ca 0.30 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1zrr s LEU 178 Cb -0.16 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1zrr s LEU 178 CO 0.12 -0.41 0.00 0.00 -1.32 0.00 0.00 176.35 174.74