#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 4.39 -0.28 7.33 0.00 -1.20 -3.19 121.76 128.80 1zrr s ALA 2 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 51.96 50.28 1zrr s ALA 2 Cb 0.00 -1.72 0.15 0.00 0.00 0.00 0.00 23.12 21.54 1zrr s ALA 2 CO 0.00 -0.45 0.57 -1.17 0.00 0.00 0.00 175.76 174.71 1zrr s LEU 3 N -4.48 -1.12 -0.15 0.00 2.96 -0.86 -2.62 118.68 112.40 1zrr s LEU 3 Ca 0.56 1.08 -0.04 0.00 -0.22 0.00 0.00 54.13 55.51 1zrr s LEU 3 Cb -0.10 2.00 -0.03 0.00 0.50 0.00 0.00 46.19 48.57 1zrr s LEU 3 CO 0.35 -0.25 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.22 1zrr s THR 4 N 2.81 4.07 -0.02 3.68 2.01 0.12 -3.35 115.64 124.95 1zrr s THR 4 Ca 0.07 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.82 1zrr s THR 4 Cb -0.14 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1zrr s THR 4 CO -0.19 0.50 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.45 1zrr s ILE 5 N 0.26 1.30 0.33 1.82 1.01 -1.10 -0.59 121.20 124.23 1zrr s ILE 5 Ca -0.02 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.02 1zrr s ILE 5 Cb -0.14 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 1zrr s ILE 5 CO 0.02 0.37 0.27 -0.36 0.00 0.00 0.00 174.94 175.25 1zrr s PHE 6 N -0.22 1.74 0.58 3.97 0.40 -1.20 -2.25 117.98 121.00 1zrr s PHE 6 Ca 0.03 -1.65 0.04 0.00 -0.60 0.00 0.00 56.93 54.75 1zrr s PHE 6 Cb -0.08 -0.72 0.07 0.00 0.51 0.00 0.00 43.02 42.80 1zrr s PHE 6 CO 0.00 -0.85 0.80 0.45 0.70 0.00 0.00 175.22 176.32 1zrr s SER 7 N -3.37 5.03 0.19 1.36 0.15 -1.24 -2.90 113.70 112.92 1zrr s SER 7 Ca 0.40 -0.43 0.19 0.00 0.70 0.00 0.00 55.95 56.82 1zrr s SER 7 Cb 0.03 -0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1zrr s SER 7 CO 0.27 -1.33 1.09 -0.37 1.20 0.00 0.00 173.24 174.10 1zrr h VAL 8 N 0.04 0.31 -0.11 4.45 -1.51 -1.92 -3.35 116.25 114.16 1zrr h VAL 8 Ca -0.37 -1.55 -0.21 0.00 -1.23 0.00 0.00 66.70 63.34 1zrr h VAL 8 Cb 1.28 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 1zrr h VAL 8 CO 0.44 0.18 -0.78 0.50 -1.23 0.00 0.00 177.57 176.67 1zrr h LYS 9 N 0.00 0.62 -3.61 5.19 3.64 -1.99 -3.43 116.57 116.98 1zrr h LYS 9 Ca -0.06 -0.52 -0.39 0.00 -1.27 0.00 0.00 60.65 58.41 1zrr h LYS 9 Cb 1.27 0.11 -0.37 0.00 -0.41 0.00 0.00 32.23 32.84 1zrr h LYS 9 CO 0.03 1.14 -0.75 0.16 -2.27 0.00 0.00 179.45 177.75 1zrr s ASP 10 N -7.07 1.05 0.02 4.20 3.84 -1.25 -5.03 116.67 112.42 1zrr s ASP 10 Ca -0.08 -0.02 -0.11 0.00 -0.00 0.00 0.00 52.55 52.34 1zrr s ASP 10 Cb 0.09 -0.28 -0.32 0.00 -1.38 0.00 0.00 42.92 41.03 1zrr s ASP 10 CO 0.88 -0.17 0.93 1.55 -0.00 0.00 0.00 175.17 178.36 1zrr h PRO 11 N 7.96 0.42 0.00 2.11 0.13 -1.85 -3.28 132.00 137.49 1zrr h PRO 11 Ca -0.26 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 1zrr h PRO 11 Cb 1.13 0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1zrr h PRO 11 CO 0.31 1.33 0.00 0.00 -0.23 0.00 0.00 178.00 179.41 1zrr n GLN 12 N -3.62 0.47 -3.97 0.86 10.64 -1.26 -4.50 117.38 116.00 1zrr n GLN 12 Ca -0.17 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.66 1zrr n GLN 12 Cb 1.08 -1.35 -0.15 0.00 -0.86 0.00 0.00 30.24 28.97 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 -1.86 3.96 -0.26 2.61 0.01 -1.24 -5.08 114.94 113.08 1zrr s ASN 13 Ca 0.15 -0.52 -0.11 0.00 -0.71 0.00 0.00 52.86 51.67 1zrr s ASN 13 Cb 0.07 -1.65 -0.05 0.00 0.41 0.00 0.00 41.25 40.03 1zrr s ASN 13 CO 0.12 -0.03 0.17 -0.94 -1.51 0.00 0.00 177.10 174.91 1zrr s SER 14 N 1.41 6.04 0.00 -1.22 1.04 -1.26 -3.89 113.70 115.81 1zrr s SER 14 Ca 0.05 0.05 0.26 0.00 0.48 0.00 0.00 55.95 56.79 1zrr s SER 14 Cb -0.14 -2.10 0.70 0.00 0.10 0.00 0.00 66.02 64.58 1zrr s SER 14 CO -0.06 0.01 1.55 0.00 0.98 0.00 0.00 173.24 175.72 1zrr n LEU 15 N 4.63 0.49 -3.20 2.42 -0.00 -0.95 -4.72 117.00 115.66 1zrr n LEU 15 Ca -0.15 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 1zrr n LEU 15 Cb 0.52 -0.27 -0.03 0.00 -0.00 0.00 0.00 43.42 43.65 1zrr n LEU 15 CO 0.34 0.11 0.09 0.86 -0.00 0.00 0.00 177.39 178.79 1zrr s TRP 16 N -2.90 -1.45 -0.16 1.47 -0.00 -1.22 -5.06 118.94 109.62 1zrr s TRP 16 Ca 0.14 1.34 0.01 0.00 -0.00 0.00 0.00 56.10 57.60 1zrr s TRP 16 Cb 0.18 0.37 0.02 0.00 -0.00 0.00 0.00 33.47 34.04 1zrr s TRP 16 CO 0.63 -0.89 -0.20 -1.58 -0.00 0.00 0.00 176.95 174.91 1zrr s HIS 17 N 2.77 2.69 0.15 5.86 5.65 -1.26 -2.72 115.29 128.42 1zrr s HIS 17 Ca 0.17 -1.50 -0.24 0.00 0.25 0.00 0.00 55.06 53.73 1zrr s HIS 17 Cb -0.14 -1.85 0.06 0.00 -1.18 0.00 0.00 32.58 29.47 1zrr s HIS 17 CO -0.21 -0.73 0.77 -1.12 -0.65 0.00 0.00 174.74 172.80 1zrr s SER 18 N 1.13 -0.36 -0.44 9.88 0.01 -1.21 -5.08 113.70 117.62 1zrr s SER 18 Ca 0.01 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1zrr s SER 18 Cb -0.14 0.55 0.14 0.00 0.21 0.00 0.00 66.02 66.78 1zrr s SER 18 CO -0.09 -0.96 0.25 0.28 0.41 0.00 0.00 173.24 173.14 1zrr s THR 19 N -3.54 1.28 0.03 1.44 -1.32 -1.26 -2.03 115.64 110.24 1zrr s THR 19 Ca 0.07 -2.56 0.06 0.00 -1.21 0.00 0.00 61.69 58.05 1zrr s THR 19 Cb -0.02 -1.90 -0.02 0.00 -1.51 0.00 0.00 72.50 69.05 1zrr s THR 19 CO -0.04 -0.93 -0.19 0.20 -2.21 0.00 0.00 174.62 171.45 1zrr s ASN 20 N 0.32 2.25 0.00 8.08 0.02 -1.19 -4.67 114.94 119.75 1zrr s ASN 20 Ca 0.19 -0.46 -0.13 0.00 -1.02 0.00 0.00 52.86 51.44 1zrr s ASN 20 Cb -0.21 -0.20 -0.33 0.00 0.02 0.00 0.00 41.25 40.52 1zrr s ASN 20 CO -0.02 0.16 0.88 0.00 0.02 0.00 0.00 177.10 178.14 1zrr h ALA 21 N 5.10 -0.02 0.00 0.60 0.00 -1.99 -2.99 119.26 119.96 1zrr h ALA 21 Ca -0.40 -0.97 -0.05 0.00 0.00 0.00 0.00 54.91 53.49 1zrr h ALA 21 Cb 1.16 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1zrr h ALA 21 CO 0.45 0.84 -0.27 1.49 0.00 0.00 0.00 179.25 181.76 1zrr h GLU 22 N 0.13 0.00 -0.00 0.00 4.81 -1.99 -3.16 114.58 114.37 1zrr h GLU 22 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1zrr h GLU 22 Cb 2.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.52 1zrr h GLU 22 CO 0.24 0.91 0.02 1.49 -0.73 0.00 0.00 179.01 180.93 1zrr h GLU 23 N -1.00 0.00 0.37 1.92 4.22 -1.98 0.89 114.58 119.00 1zrr h GLU 23 Ca -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.35 1zrr h GLU 23 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1zrr h GLU 23 CO -0.04 0.00 -0.18 0.82 -2.18 0.00 0.00 179.01 177.43 1zrr h ILE 24 N 0.00 0.37 -0.43 2.32 2.04 -1.58 0.14 117.51 120.38 1zrr h ILE 24 Ca 0.00 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1zrr h ILE 24 Cb 0.03 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1zrr h ILE 24 CO -0.00 0.08 0.19 0.06 0.00 0.00 0.00 178.15 178.49 1zrr h GLN 25 N -1.00 0.62 -0.77 2.37 3.07 -1.35 1.57 115.11 119.62 1zrr h GLN 25 Ca -0.05 -0.10 0.01 0.00 0.09 0.00 0.00 58.65 58.60 1zrr h GLN 25 Cb 0.52 -0.11 -0.04 0.00 0.08 0.00 0.00 27.48 27.93 1zrr h GLN 25 CO 0.08 0.55 0.51 1.96 0.09 0.00 0.00 178.83 182.02 1zrr h GLN 26 N 0.55 1.01 0.08 0.06 4.20 -0.90 1.49 115.11 121.59 1zrr h GLN 26 Ca 0.14 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 1zrr h GLN 26 Cb 0.14 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.71 1zrr h GLN 26 CO -0.02 0.67 -0.47 0.37 -0.67 0.00 0.00 178.83 178.71 1zrr h GLN 27 N 1.04 0.16 0.38 1.46 4.15 -0.35 -2.32 115.11 119.63 1zrr h GLN 27 Ca 0.28 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1zrr h GLN 27 Cb -0.11 0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1zrr h GLN 27 CO -0.07 1.13 -0.18 1.25 -1.93 0.00 0.00 178.83 179.03 1zrr h LEU 28 N -0.66 -0.43 -2.88 -2.39 5.85 0.24 -2.41 115.31 112.62 1zrr h LEU 28 Ca -0.08 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1zrr h LEU 28 Cb 1.35 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1zrr h LEU 28 CO 0.08 -0.09 0.02 -1.13 -0.34 0.00 0.00 178.44 176.98 1zrr h ASN 29 N -0.82 0.00 0.32 1.25 -0.73 0.20 0.16 115.58 115.96 1zrr h ASN 29 Ca -0.05 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 1zrr h ASN 29 Cb 0.53 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 1zrr h ASN 29 CO 0.09 0.00 -0.20 0.00 -0.37 0.00 0.00 177.43 176.95 1zrr h ALA 30 N 1.96 1.44 -0.23 1.57 0.00 -0.88 -0.74 119.26 122.37 1zrr h ALA 30 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1zrr h ALA 30 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1zrr h ALA 30 CO 0.00 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.12 1zrr n LYS 31 N -3.96 1.76 -0.61 0.00 4.01 0.55 -4.81 118.16 115.09 1zrr n LYS 31 Ca -0.02 -0.92 0.00 0.00 -0.51 0.00 0.00 58.31 56.86 1zrr n LYS 31 Cb 0.28 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.45 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zrr n GLY 32 N 0.70 0.88 3.87 0.72 0.00 -0.29 -5.00 105.19 106.07 1zrr n GLY 32 Ca 0.08 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 5.10 0.51 1.61 1.01 -1.19 -4.87 120.40 120.57 1zrr s VAL 33 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 1zrr s VAL 33 Cb 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1zrr s VAL 33 CO 0.00 0.27 0.87 -0.60 0.00 0.00 0.00 175.10 175.64 1zrr s ARG 34 N -1.96 3.64 0.01 2.72 3.52 -1.25 -4.11 118.95 121.52 1zrr s ARG 34 Ca 0.33 0.47 -0.19 0.00 -0.13 0.00 0.00 55.73 56.21 1zrr s ARG 34 Cb -0.14 -2.28 0.04 0.00 -1.56 0.00 0.00 34.95 31.01 1zrr s ARG 34 CO 0.18 -0.28 0.41 0.12 -0.81 0.00 0.00 175.30 174.93 1zrr s PHE 35 N -2.78 -0.29 0.07 5.12 5.99 -1.26 -4.23 117.98 120.61 1zrr s PHE 35 Ca 0.51 0.37 -0.28 0.00 0.00 0.00 0.00 56.93 57.53 1zrr s PHE 35 Cb -0.10 0.20 0.09 0.00 0.00 0.00 0.00 43.02 43.21 1zrr s PHE 35 CO 0.44 -0.51 1.11 -1.21 -0.00 0.00 0.00 175.22 175.04 1zrr s GLU 36 N -1.87 0.81 -0.19 10.12 0.41 -1.22 -4.87 118.70 121.89 1zrr s GLU 36 Ca -0.09 -0.44 -0.06 0.00 -0.41 0.00 0.00 54.97 53.97 1zrr s GLU 36 Cb -0.02 0.28 0.09 0.00 -1.78 0.00 0.00 34.13 32.70 1zrr s GLU 36 CO 0.02 -0.37 0.37 1.03 -0.49 0.00 0.00 175.26 175.82 1zrr s ARG 37 N -2.88 0.28 0.10 1.61 0.52 -1.26 -2.63 118.95 114.69 1zrr s ARG 37 Ca 0.13 0.88 0.06 0.00 -0.52 0.00 0.00 55.73 56.29 1zrr s ARG 37 Cb 0.01 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 1zrr s ARG 37 CO -0.01 -0.32 -0.05 -1.58 0.02 0.00 0.00 175.30 173.36 1zrr s TRP 38 N 2.55 2.84 0.05 -0.53 0.51 -1.25 -4.99 118.94 118.12 1zrr s TRP 38 Ca 0.01 -0.10 -0.01 0.00 -2.12 0.00 0.00 56.10 53.88 1zrr s TRP 38 Cb -0.12 -1.47 -0.04 0.00 -0.81 0.00 0.00 33.47 31.03 1zrr s TRP 38 CO -0.12 0.46 -0.03 1.14 -0.51 0.00 0.00 176.95 177.88 1zrr s GLN 39 N -2.31 0.55 0.23 4.98 -2.07 -1.26 -4.72 119.66 115.07 1zrr s GLN 39 Ca 0.24 -1.08 0.05 0.00 -1.82 0.00 0.00 55.36 52.75 1zrr s GLN 39 Cb -0.11 0.15 -0.03 0.00 -1.09 0.00 0.00 33.01 31.93 1zrr s GLN 39 CO 0.16 -0.09 0.32 0.00 -1.32 0.00 0.00 175.29 174.36 1zrr s ALA 40 N -3.29 3.85 -1.00 2.60 0.00 -1.26 -5.00 121.76 117.66 1zrr s ALA 40 Ca 0.02 -1.25 0.21 0.00 0.00 0.00 0.00 51.96 50.93 1zrr s ALA 40 Cb 0.03 -1.64 -0.23 0.00 0.00 0.00 0.00 23.12 21.29 1zrr s ALA 40 CO -0.07 0.27 0.89 -0.40 0.00 0.00 0.00 175.76 176.45 1zrr n ASP 41 N -1.28 1.00 -4.89 0.00 3.85 -1.26 -4.91 116.55 109.06 1zrr n ASP 41 Ca -0.09 -1.00 -0.31 0.00 -0.71 0.00 0.00 54.79 52.68 1zrr n ASP 41 Cb 0.57 0.99 -0.05 0.00 -1.35 0.00 0.00 41.12 41.29 1zrr n ASP 41 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1zrr s ARG 42 N -2.98 3.68 -0.30 0.11 3.52 -1.26 -5.05 118.95 116.68 1zrr s ARG 42 Ca 0.08 0.05 -0.19 0.00 -0.13 0.00 0.00 55.73 55.53 1zrr s ARG 42 Cb 0.16 -2.75 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 1zrr s ARG 42 CO 0.86 0.38 0.58 -0.51 -0.81 0.00 0.00 175.30 175.80 1zrr s ASP 43 N -2.52 6.46 0.47 -2.12 1.01 -1.26 -5.05 116.67 113.66 1zrr s ASP 43 Ca 0.44 0.40 0.01 0.00 0.71 0.00 0.00 52.55 54.10 1zrr s ASP 43 Cb -0.12 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1zrr s ASP 43 CO 0.24 -0.42 0.69 -0.76 0.21 0.00 0.00 175.17 175.13 1zrr s LEU 44 N 2.49 3.57 0.00 1.23 1.43 -1.26 -5.05 118.68 121.09 1zrr s LEU 44 Ca 0.23 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1zrr s LEU 44 Cb -0.15 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1zrr s LEU 44 CO 0.11 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.51 1zrr n GLY 45 N -2.13 1.40 3.41 -3.19 0.00 -1.26 -5.02 105.19 98.40 1zrr n GLY 45 Ca 0.03 0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 1zrr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr n ALA 46 N -3.00 3.98 -3.97 4.61 0.00 -1.26 -4.88 120.51 115.99 1zrr n ALA 46 Ca 0.00 -4.08 -0.30 0.00 0.00 0.00 0.00 53.44 49.05 1zrr n ALA 46 Cb 0.00 -3.28 -0.14 0.00 0.00 0.00 0.00 19.45 16.02 1zrr n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zrr s ALA 47 N 2.55 3.09 -1.01 0.00 0.00 -1.26 -5.04 121.76 120.08 1zrr s ALA 47 Ca 0.47 -2.92 -0.24 0.00 0.00 0.00 0.00 51.96 49.27 1zrr s ALA 47 Cb 0.02 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.99 1zrr s ALA 47 CO 0.03 -1.87 2.00 -1.25 0.00 0.00 0.00 175.76 174.66 1zrr s PRO 48 N 0.27 2.34 -0.30 0.00 0.04 -1.26 -4.79 135.00 131.31 1zrr s PRO 48 Ca 0.14 -0.56 -0.07 0.00 0.04 0.00 0.00 61.00 60.55 1zrr s PRO 48 Cb -0.23 -5.10 0.18 0.00 0.04 0.00 0.00 34.50 29.40 1zrr s PRO 48 CO -0.04 -3.86 0.84 0.95 0.04 0.00 0.00 177.00 174.93 1zrr s THR 49 N 11.38 -0.64 0.05 1.26 -4.23 -1.26 -5.04 115.64 117.17 1zrr s THR 49 Ca 0.72 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.19 1zrr s THR 49 Cb -0.05 -0.96 -0.29 0.00 1.34 0.00 0.00 72.50 72.54 1zrr s THR 49 CO 0.07 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 175.20 1zrr h ALA 50 N 7.96 0.13 0.00 3.99 0.00 -2.02 -3.22 119.26 126.11 1zrr h ALA 50 Ca -0.17 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 53.79 1zrr h ALA 50 Cb 1.17 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1zrr h ALA 50 CO 0.06 1.01 -0.02 1.05 0.00 0.00 0.00 179.25 181.35 1zrr h GLU 51 N 0.08 0.00 0.14 0.00 4.11 -1.99 -2.51 114.58 114.40 1zrr h GLU 51 Ca -0.17 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.98 1zrr h GLU 51 Cb 2.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.26 1zrr h GLU 51 CO 0.20 0.02 -1.26 1.15 0.07 0.00 0.00 179.01 179.18 1zrr h THR 52 N 0.00 1.47 -0.26 -1.06 2.02 -1.97 -3.07 112.91 110.04 1zrr h THR 52 Ca -0.00 -2.99 -0.02 0.00 0.77 0.00 0.00 66.41 64.17 1zrr h THR 52 Cb 0.28 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 1zrr h THR 52 CO 0.00 0.88 0.08 0.58 0.37 0.00 0.00 175.52 177.44 1zrr h VAL 53 N 0.09 1.19 -0.69 3.16 2.07 -1.50 -1.49 116.25 119.08 1zrr h VAL 53 Ca -0.15 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1zrr h VAL 53 Cb 1.98 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1zrr h VAL 53 CO 0.21 0.20 0.36 0.40 0.02 0.00 0.00 177.57 178.76 1zrr h ILE 54 N 0.27 1.22 0.00 4.57 2.04 -1.65 -1.34 117.51 122.61 1zrr h ILE 54 Ca 0.09 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1zrr h ILE 54 Cb 0.23 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1zrr h ILE 54 CO -0.00 0.25 -0.07 0.00 0.00 0.00 0.00 178.15 178.33 1zrr h ALA 55 N 1.17 1.87 0.00 1.87 0.00 -1.39 2.41 119.26 125.18 1zrr h ALA 55 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1zrr h ALA 55 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1zrr h ALA 55 CO -0.03 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1zrr h ALA 56 N 1.93 1.00 -0.00 0.00 0.00 -0.19 -3.23 119.26 118.77 1zrr h ALA 56 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zrr h ALA 56 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1zrr h ALA 56 CO 0.01 0.00 -0.16 0.66 0.00 0.00 0.00 179.25 179.76 1zrr n TYR 57 N -2.96 0.00 -0.34 0.00 4.01 0.00 -4.62 117.16 113.25 1zrr n TYR 57 Ca 0.03 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.94 1zrr n TYR 57 Cb 0.43 0.00 0.39 0.00 -0.31 0.00 0.00 39.34 39.85 1zrr n TYR 57 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1zrr h GLN 58 N 0.09 0.58 -0.68 -0.72 1.08 0.40 0.24 115.11 116.09 1zrr h GLN 58 Ca 0.00 -0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.28 1zrr h GLN 58 Cb 0.10 -0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.32 1zrr h GLN 58 CO 0.00 0.38 0.26 1.12 -0.95 0.00 0.00 178.83 179.65 1zrr h HIS 59 N 0.60 0.45 0.88 2.96 2.07 -1.82 1.90 115.15 122.19 1zrr h HIS 59 Ca 0.61 0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 58.12 1zrr h HIS 59 Cb 1.17 -0.10 0.01 0.00 2.57 0.00 0.00 27.41 31.06 1zrr h HIS 59 CO -0.00 0.09 -0.42 0.00 -3.07 0.00 0.00 177.93 174.52 1zrr h ALA 60 N 1.48 -1.18 0.00 6.11 0.00 -0.85 -2.72 119.26 122.10 1zrr h ALA 60 Ca 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1zrr h ALA 60 Cb 0.49 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1zrr h ALA 60 CO -0.35 -1.11 -0.14 -0.84 0.00 0.00 0.00 179.25 176.80 1zrr h ILE 61 N -1.29 0.93 -0.08 0.00 -0.00 -1.18 -1.04 117.51 114.85 1zrr h ILE 61 Ca -0.12 -0.51 0.02 0.00 -0.00 0.00 0.00 64.86 64.25 1zrr h ILE 61 Cb 0.91 1.29 -0.00 0.00 -0.00 0.00 0.00 36.82 39.02 1zrr h ILE 61 CO 0.20 0.14 0.10 -0.78 -0.00 0.00 0.00 178.15 177.81 1zrr h ASP 62 N 0.00 0.00 0.17 2.16 1.82 0.33 0.99 116.42 121.89 1zrr h ASP 62 Ca -0.00 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.33 1zrr h ASP 62 Cb 0.28 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.30 1zrr h ASP 62 CO 0.02 0.00 -1.53 0.50 -1.61 0.00 0.00 179.24 176.61 1zrr h LYS 63 N 0.00 0.35 -0.22 0.28 3.64 -0.95 -2.75 116.57 116.92 1zrr h LYS 63 Ca 0.04 -0.61 -0.04 0.00 -1.27 0.00 0.00 60.65 58.77 1zrr h LYS 63 Cb 0.24 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1zrr h LYS 63 CO -0.00 1.29 -0.01 1.25 -2.27 0.00 0.00 179.45 179.71 1zrr h LEU 64 N -0.07 0.40 -1.27 5.20 6.46 -1.22 -2.71 115.31 122.11 1zrr h LEU 64 Ca -0.31 -0.32 -0.08 0.00 -0.12 0.00 0.00 57.88 57.06 1zrr h LEU 64 Cb 1.96 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.77 1zrr h LEU 64 CO 0.15 0.62 -0.36 1.62 -0.62 0.00 0.00 178.44 179.85 1zrr h VAL 65 N 0.16 1.26 -0.73 1.05 3.04 -1.00 -2.17 116.25 117.86 1zrr h VAL 65 Ca 0.06 -1.24 0.08 0.00 -1.01 0.00 0.00 66.70 64.59 1zrr h VAL 65 Cb 0.43 1.66 -0.07 0.00 -2.01 0.00 0.00 31.29 31.30 1zrr h VAL 65 CO 0.01 0.36 0.39 0.00 -1.01 0.00 0.00 177.57 177.32 1zrr h ALA 66 N 1.63 1.01 0.02 3.17 0.00 -1.16 2.33 119.26 126.26 1zrr h ALA 66 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1zrr h ALA 66 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1zrr h ALA 66 CO 0.05 0.03 -0.01 1.49 0.00 0.00 0.00 179.25 180.80 1zrr h GLU 67 N 0.68 -0.02 -0.30 0.00 4.81 -1.45 -3.28 114.58 115.02 1zrr h GLU 67 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1zrr h GLU 67 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1zrr h GLU 67 CO -0.24 0.71 0.00 1.63 -0.73 0.00 0.00 179.01 180.38 1zrr n LYS 68 N -4.69 1.36 0.00 1.92 4.76 -0.84 -4.92 118.16 115.75 1zrr n LYS 68 Ca -0.08 -0.45 0.00 0.00 -2.87 0.00 0.00 58.31 54.91 1zrr n LYS 68 Cb 0.36 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zrr n GLY 69 N 0.56 0.00 3.84 0.72 0.00 0.78 -4.79 105.19 106.31 1zrr n GLY 69 Ca 0.04 0.00 -0.30 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 2.94 0.00 1.61 1.51 -1.26 -5.02 117.35 117.14 1zrr s TYR 70 Ca 0.00 1.01 0.00 0.00 -1.01 0.00 0.00 57.07 57.07 1zrr s TYR 70 Cb 0.00 -3.21 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 1zrr s TYR 70 CO 0.00 -1.69 0.00 1.04 -1.11 0.00 0.00 175.55 173.79 1zrr n GLN 71 N -3.34 0.00 -3.73 -0.62 6.02 -1.26 -4.87 117.38 109.58 1zrr n GLN 71 Ca 0.07 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.85 1zrr n GLN 71 Cb 0.58 -0.39 -0.03 0.00 1.02 0.00 0.00 30.24 31.42 1zrr n GLN 71 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1zrr s SER 72 N -2.14 5.49 -0.00 1.08 0.01 -1.13 -4.97 113.70 112.04 1zrr s SER 72 Ca 0.00 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.88 1zrr s SER 72 Cb 0.00 -1.07 -0.01 0.00 0.21 0.00 0.00 66.02 65.16 1zrr s SER 72 CO 0.00 -0.36 -0.05 0.86 0.41 0.00 0.00 173.24 174.10 1zrr s TRP 73 N -2.26 0.45 0.34 2.43 -0.11 -1.26 -0.12 118.94 118.41 1zrr s TRP 73 Ca 0.42 -0.11 -0.15 0.00 1.22 0.00 0.00 56.10 57.48 1zrr s TRP 73 Cb -0.07 -0.29 0.03 0.00 -1.50 0.00 0.00 33.47 31.64 1zrr s TRP 73 CO 0.28 -0.01 0.69 0.34 -4.62 0.00 0.00 176.95 173.63 1zrr s ASP 74 N -0.20 0.05 0.03 5.86 3.68 -1.14 -4.88 116.67 120.06 1zrr s ASP 74 Ca 0.01 -1.03 0.09 0.00 2.13 0.00 0.00 52.55 53.76 1zrr s ASP 74 Cb -0.02 0.76 -0.03 0.00 -1.45 0.00 0.00 42.92 42.18 1zrr s ASP 74 CO -0.00 -1.48 -0.26 0.54 0.13 0.00 0.00 175.17 174.10 1zrr s VAL 75 N -3.04 2.10 -0.31 1.11 0.11 -1.26 -2.62 120.40 116.49 1zrr s VAL 75 Ca 0.17 -1.32 -0.10 0.00 -2.93 0.00 0.00 61.98 57.80 1zrr s VAL 75 Cb -0.04 -1.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 1zrr s VAL 75 CO 0.11 0.42 0.17 -0.51 -3.33 0.00 0.00 175.10 171.96 1zrr s ILE 76 N -0.76 4.80 -0.30 7.04 1.10 -0.15 -4.93 121.20 128.02 1zrr s ILE 76 Ca 0.11 -0.33 -0.05 0.00 -0.51 0.00 0.00 60.65 59.87 1zrr s ILE 76 Cb -0.10 -3.44 0.19 0.00 0.15 0.00 0.00 42.46 39.26 1zrr s ILE 76 CO 0.01 0.06 0.86 -0.94 -2.11 0.00 0.00 174.94 172.82 1zrr s SER 77 N 1.65 -0.92 0.53 4.50 1.04 -1.26 -1.43 113.70 117.81 1zrr s SER 77 Ca 0.05 0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.69 1zrr s SER 77 Cb -0.17 1.61 0.05 0.00 0.10 0.00 0.00 66.02 67.60 1zrr s SER 77 CO 0.07 -0.17 0.38 -0.11 0.98 0.00 0.00 173.24 174.39 1zrr n LEU 78 N 5.27 0.00 -4.85 2.42 7.94 -1.26 -4.98 117.00 121.54 1zrr n LEU 78 Ca 0.06 -2.82 -0.34 0.00 -1.11 0.00 0.00 56.01 51.80 1zrr n LEU 78 Cb 0.56 -0.02 -0.06 0.00 0.53 0.00 0.00 43.42 44.43 1zrr n LEU 78 CO -0.11 -0.57 0.31 -0.60 -1.11 0.00 0.00 177.39 175.31 1zrr s ARG 79 N -4.18 3.99 0.00 1.96 3.00 -1.26 -4.30 118.95 118.16 1zrr s ARG 79 Ca 0.29 0.55 0.00 0.00 -1.00 0.00 0.00 55.73 55.57 1zrr s ARG 79 Cb -0.02 -2.72 0.00 0.00 0.00 0.00 0.00 34.95 32.21 1zrr s ARG 79 CO 0.18 0.34 0.30 0.00 0.00 0.00 0.00 175.30 176.12 1zrr n ALA 80 N 0.24 1.44 0.05 6.12 0.00 -1.26 -1.10 120.51 126.00 1zrr n ALA 80 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1zrr n ALA 80 Cb 0.52 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.74 0.00 3.45 -1.95 -3.46 116.42 111.72 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 0.04 0.00 -0.56 0.00 0.00 39.33 38.81 1zrr h ASP 81 CO 0.00 0.55 0.95 0.54 -1.57 0.00 0.00 179.24 179.71 1zrr s ASN 82 N -5.89 6.55 0.00 6.45 2.20 -0.26 -4.87 114.94 119.13 1zrr s ASN 82 Ca -0.02 2.62 0.24 0.00 -0.94 0.00 0.00 52.86 54.76 1zrr s ASN 82 Cb 0.09 -2.58 1.18 0.00 -2.00 0.00 0.00 41.25 37.93 1zrr s ASN 82 CO 0.80 -0.88 1.79 -0.81 -2.94 0.00 0.00 177.10 175.06 1zrr n PRO 83 N 4.62 0.28 -0.19 3.55 -0.04 -1.26 -3.05 135.00 138.90 1zrr n PRO 83 Ca 0.15 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 1zrr n PRO 83 Cb 0.39 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.50 1zrr n PRO 83 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zrr n GLN 84 N -1.32 1.88 0.27 0.54 6.02 -1.26 -4.25 117.38 119.26 1zrr n GLN 84 Ca 0.10 -1.27 -0.17 0.00 -0.01 0.00 0.00 57.00 55.66 1zrr n GLN 84 Cb 0.21 -1.31 -0.08 0.00 1.02 0.00 0.00 30.24 30.07 1zrr n GLN 84 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1zrr h LYS 85 N 2.03 -0.81 -0.62 -1.09 2.10 -1.93 0.77 116.57 117.03 1zrr h LYS 85 Ca 0.00 0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 58.61 1zrr h LYS 85 Cb 0.52 0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.01 1zrr h LYS 85 CO 0.02 -0.54 0.01 1.49 -2.00 0.00 0.00 179.45 178.42 1zrr h GLU 86 N -0.84 1.09 -0.69 0.07 4.81 -1.88 -2.81 114.58 114.32 1zrr h GLU 86 Ca -0.05 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 1zrr h GLU 86 Cb 0.72 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1zrr h GLU 86 CO -0.02 1.05 0.29 0.00 -0.73 0.00 0.00 179.01 179.61 1zrr h ALA 87 N 0.99 1.20 -0.28 2.92 0.00 -1.68 -2.58 119.26 119.83 1zrr h ALA 87 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zrr h ALA 87 Cb 0.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1zrr h ALA 87 CO 0.03 0.59 0.16 -0.07 0.00 0.00 0.00 179.25 179.96 1zrr h LEU 88 N 1.00 0.35 -2.17 0.00 3.38 0.81 -1.81 115.31 116.87 1zrr h LEU 88 Ca 0.24 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1zrr h LEU 88 Cb 0.18 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1zrr h LEU 88 CO -0.02 0.32 -0.05 0.08 0.09 0.00 0.00 178.44 178.86 1zrr h ARG 89 N 0.35 0.00 0.61 1.13 0.11 -1.28 -2.16 114.38 113.14 1zrr h ARG 89 Ca 0.10 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.15 1zrr h ARG 89 Cb 0.04 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.13 1zrr h ARG 89 CO -0.02 0.05 -0.29 0.93 0.10 0.00 0.00 179.97 180.74 1zrr h GLU 90 N 0.00 -0.79 -0.90 0.08 5.08 -0.95 0.34 114.58 117.44 1zrr h GLU 90 Ca -0.00 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1zrr h GLU 90 Cb 0.12 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1zrr h GLU 90 CO 0.01 -0.50 0.59 0.87 -1.00 0.00 0.00 179.01 178.98 1zrr h LYS 91 N -1.18 1.03 0.00 2.33 1.79 -1.32 0.08 116.57 119.31 1zrr h LYS 91 Ca -0.08 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.26 1zrr h LYS 91 Cb 0.65 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1zrr h LYS 91 CO 0.14 0.68 -0.31 0.74 -1.08 0.00 0.00 179.45 179.62 1zrr h PHE 92 N 1.06 0.00 -0.30 -1.35 -1.00 -1.38 -3.07 116.94 110.90 1zrr h PHE 92 Ca 0.38 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.11 1zrr h PHE 92 Cb 0.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 1zrr h PHE 92 CO -0.00 0.31 -0.04 1.25 -1.61 0.00 0.00 178.31 178.22 1zrr h LEU 93 N 0.00 0.44 -9.17 1.54 6.46 0.17 -3.02 115.31 111.73 1zrr h LEU 93 Ca -0.00 -0.09 -0.60 0.00 -0.12 0.00 0.00 57.88 57.07 1zrr h LEU 93 Cb 0.97 -0.11 0.17 0.00 -0.73 0.00 0.00 40.66 40.95 1zrr h LEU 93 CO 0.04 0.53 -0.82 -0.46 -0.62 0.00 0.00 178.44 177.12 1zrr n ASN 94 N -4.27 -2.46 -4.88 1.25 6.94 -1.11 -4.33 115.26 106.40 1zrr n ASN 94 Ca 0.01 0.75 -0.29 0.00 -0.02 0.00 0.00 54.58 55.02 1zrr n ASN 94 Cb 0.26 -0.97 -0.01 0.00 -2.36 0.00 0.00 39.78 36.69 1zrr n ASN 94 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1zrr s GLU 95 N -1.34 3.68 0.00 -3.83 2.02 -1.26 -4.59 118.70 113.37 1zrr s GLU 95 Ca 0.61 0.45 0.00 0.00 0.02 0.00 0.00 54.97 56.05 1zrr s GLU 95 Cb -0.53 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1zrr s GLU 95 CO 0.61 -0.19 0.00 -2.39 0.02 0.00 0.00 175.26 173.31 1zrr n HIS 96 N -1.89 -0.16 -3.64 1.61 1.44 -0.98 -4.42 115.22 107.18 1zrr n HIS 96 Ca 0.03 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.68 1zrr n HIS 96 Cb 0.54 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 -2.28 0.00 0.16 0.61 -1.32 -1.22 -2.46 115.64 109.13 1zrr s THR 97 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 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 0.25 -1.00 -2.21 0.00 0.00 174.62 171.66 1zrr s HIS 98 N 1.27 3.39 -1.41 9.09 0.09 -1.26 -1.24 115.29 125.22 1zrr s HIS 98 Ca -0.07 0.07 0.27 0.00 -0.00 0.00 0.00 55.06 55.32 1zrr s HIS 98 Cb -0.04 -1.61 1.35 0.00 -0.00 0.00 0.00 32.58 32.27 1zrr s HIS 98 CO -0.15 0.51 1.92 0.41 -0.00 0.00 0.00 174.74 177.43 1zrr n GLY 99 N -0.55 -1.19 3.47 -2.22 0.00 -1.14 -1.84 105.19 101.72 1zrr n GLY 99 Ca -0.07 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.59 1.68 0.39 1.61 2.56 -1.26 -4.79 118.70 116.29 1zrr s GLU 100 Ca 0.25 -1.93 -0.26 0.00 0.00 0.00 0.00 54.97 53.04 1zrr s GLU 100 Cb 0.18 -1.02 -0.09 0.00 2.00 0.00 0.00 34.13 35.20 1zrr s GLU 100 CO 0.41 -0.14 1.19 -0.51 -0.56 0.00 0.00 175.26 175.66 1zrr s ASP 101 N -3.51 6.57 -0.65 -1.70 1.01 -1.26 -3.98 116.67 113.14 1zrr s ASP 101 Ca 0.35 2.39 -0.13 0.00 0.71 0.00 0.00 52.55 55.88 1zrr s ASP 101 Cb 0.08 -2.62 0.17 0.00 1.01 0.00 0.00 42.92 41.56 1zrr s ASP 101 CO 0.15 -0.65 0.57 -0.70 0.21 0.00 0.00 175.17 174.76 1zrr s GLU 102 N -2.21 3.10 -0.20 8.23 2.12 -0.33 -4.87 118.70 124.54 1zrr s GLU 102 Ca 0.56 -2.11 -0.16 0.00 0.36 0.00 0.00 54.97 53.62 1zrr s GLU 102 Cb -0.32 -4.23 -0.04 0.00 0.26 0.00 0.00 34.13 29.80 1zrr s GLU 102 CO 0.41 -1.27 0.38 0.14 -0.54 0.00 0.00 175.26 174.38 1zrr s VAL 103 N 0.81 5.21 -0.08 3.70 -7.23 -1.26 -2.12 120.40 119.42 1zrr s VAL 103 Ca 0.11 0.68 0.01 0.00 -1.81 0.00 0.00 61.98 60.97 1zrr s VAL 103 Cb -0.20 -3.72 0.02 0.00 0.56 0.00 0.00 36.38 33.04 1zrr s VAL 103 CO -0.03 0.26 -0.10 0.00 -0.31 0.00 0.00 175.10 174.92 1zrr s ARG 104 N 1.26 1.59 -0.22 4.82 1.70 -0.94 -4.74 118.95 122.43 1zrr s ARG 104 Ca 0.19 -0.34 -0.09 0.00 -0.47 0.00 0.00 55.73 55.02 1zrr s ARG 104 Cb -0.15 -1.45 -0.04 0.00 -0.57 0.00 0.00 34.95 32.74 1zrr s ARG 104 CO 0.08 -0.10 0.11 0.12 -1.08 0.00 0.00 175.30 174.43 1zrr s PHE 105 N 1.09 3.28 -0.03 5.89 2.19 -1.20 -3.25 117.98 125.95 1zrr s PHE 105 Ca -0.07 0.12 -0.20 0.00 0.33 0.00 0.00 56.93 57.12 1zrr s PHE 105 Cb -0.14 -2.18 -0.05 0.00 -1.31 0.00 0.00 43.02 39.33 1zrr s PHE 105 CO -0.01 0.08 0.56 -0.06 1.83 0.00 0.00 175.22 177.63 1zrr s PHE 106 N 0.78 3.65 -0.03 10.12 0.08 -1.26 -0.83 117.98 130.49 1zrr s PHE 106 Ca 0.06 1.13 0.05 0.00 0.12 0.00 0.00 56.93 58.29 1zrr s PHE 106 Cb -0.13 -2.58 -0.07 0.00 -0.57 0.00 0.00 43.02 39.67 1zrr s PHE 106 CO 0.02 0.33 0.06 0.28 -0.10 0.00 0.00 175.22 175.81 1zrr n VAL 107 N 2.87 0.20 -3.60 -0.44 0.31 -0.58 -4.18 118.33 112.90 1zrr n VAL 107 Ca -0.07 -0.17 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 1zrr n VAL 107 Cb 0.51 -0.36 -0.02 0.00 -0.91 0.00 0.00 33.84 33.07 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 -2.22 0.57 -0.02 5.55 2.12 -0.10 -4.89 118.70 119.71 1zrr s GLU 108 Ca -0.02 -0.26 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 1zrr s GLU 108 Cb 0.02 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.65 1zrr s GLU 108 CO 0.21 -0.25 0.03 0.41 -0.54 0.00 0.00 175.26 175.11 1zrr n GLY 109 N -0.28 -1.06 2.90 -1.50 0.00 -1.26 -1.29 105.19 102.70 1zrr n GLY 109 Ca -0.05 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.12 -0.89 0.09 4.61 0.00 -1.26 -4.15 121.76 120.03 1zrr s ALA 110 Ca -0.03 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1zrr s ALA 110 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1zrr s ALA 110 CO 0.08 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1zrr n GLY 111 N 5.36 0.55 3.18 0.00 0.00 -1.26 -4.25 105.19 108.75 1zrr n GLY 111 Ca -0.04 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 1zrr n GLY 111 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1zrr s LEU 112 N 0.00 5.37 -0.03 0.99 0.05 -1.26 -4.14 118.68 119.66 1zrr s LEU 112 Ca 0.00 -1.89 -0.30 0.00 0.05 0.00 0.00 54.13 51.99 1zrr s LEU 112 Cb 0.00 -1.92 -0.03 0.00 -2.05 0.00 0.00 46.19 42.20 1zrr s LEU 112 CO 0.00 -0.59 1.00 0.72 -0.55 0.00 0.00 176.35 176.92 1zrr s PHE 113 N 1.27 3.61 0.32 3.48 -0.71 -1.18 -4.73 117.98 120.04 1zrr s PHE 113 Ca 0.06 1.66 -0.27 0.00 -1.04 0.00 0.00 56.93 57.34 1zrr s PHE 113 Cb -0.24 -3.15 -0.10 0.00 -1.21 0.00 0.00 43.02 38.32 1zrr s PHE 113 CO -0.02 -0.12 0.97 0.00 -1.34 0.00 0.00 175.22 174.72 1zrr s LEU 115 N -1.98 1.24 -0.47 0.00 2.96 0.35 -4.27 118.68 116.52 1zrr s LEU 115 Ca 0.50 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 54.05 1zrr s LEU 115 Cb -0.21 -0.68 0.09 0.00 0.50 0.00 0.00 46.19 45.89 1zrr s LEU 115 CO 0.27 -0.08 0.38 -2.28 -1.32 0.00 0.00 176.35 173.32 1zrr s HIS 116 N 1.30 3.29 -0.33 5.38 2.46 -1.24 -0.32 115.29 125.84 1zrr s HIS 116 Ca -0.04 -1.26 -0.00 0.00 0.47 0.00 0.00 55.06 54.23 1zrr s HIS 116 Cb -0.14 -3.28 0.07 0.00 -0.13 0.00 0.00 32.58 29.10 1zrr s HIS 116 CO -0.03 -0.88 0.04 0.42 -2.47 0.00 0.00 174.74 171.83 1zrr s ILE 117 N 1.55 2.83 0.00 0.89 1.09 -1.20 -4.42 121.20 121.93 1zrr s ILE 117 Ca 0.04 -1.74 0.00 0.00 -1.10 0.00 0.00 60.65 57.85 1zrr s ILE 117 Cb -0.25 -2.78 0.00 0.00 -1.06 0.00 0.00 42.46 38.36 1zrr s ILE 117 CO 0.04 -0.32 0.00 0.61 -0.10 0.00 0.00 174.94 175.17 1zrr n GLY 118 N 4.53 0.60 3.27 6.18 0.00 -1.26 -3.83 105.19 114.69 1zrr n GLY 118 Ca -0.08 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 1.79 5.33 -3.73 1.61 5.68 -1.26 -4.94 116.55 121.03 1zrr n ASP 119 Ca 0.00 -3.08 -0.04 0.00 -0.50 0.00 0.00 54.79 51.17 1zrr n ASP 119 Cb 0.00 -1.31 -0.01 0.00 -1.14 0.00 0.00 41.12 38.66 1zrr n ASP 119 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1zrr s GLU 120 N -1.41 1.30 0.01 0.11 2.56 -1.25 -4.84 118.70 115.18 1zrr s GLU 120 Ca 0.30 -0.73 0.05 0.00 0.00 0.00 0.00 54.97 54.60 1zrr s GLU 120 Cb -0.08 0.44 -0.02 0.00 2.00 0.00 0.00 34.13 36.47 1zrr s GLU 120 CO -0.08 -0.60 -0.16 0.08 -0.56 0.00 0.00 175.26 173.94 1zrr s VAL 121 N -3.28 1.29 -0.05 3.70 1.01 -1.14 -3.27 120.40 118.65 1zrr s VAL 121 Ca 0.13 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1zrr s VAL 121 Cb -0.02 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1zrr s VAL 121 CO 0.03 0.26 -0.13 -0.36 0.00 0.00 0.00 175.10 174.90 1zrr s PHE 122 N -0.54 1.45 -0.19 5.22 0.08 0.57 -3.27 117.98 121.30 1zrr s PHE 122 Ca 0.05 -0.48 -0.00 0.00 0.12 0.00 0.00 56.93 56.62 1zrr s PHE 122 Cb -0.07 -1.03 0.05 0.00 -0.57 0.00 0.00 43.02 41.40 1zrr s PHE 122 CO 0.00 -0.22 -0.04 -0.65 -0.10 0.00 0.00 175.22 174.21 1zrr s GLN 123 N 0.42 1.40 -0.16 0.44 -1.52 0.25 0.13 119.66 120.62 1zrr s GLN 123 Ca -0.10 -0.65 -0.08 0.00 -1.95 0.00 0.00 55.36 52.58 1zrr s GLN 123 Cb -0.14 -2.20 -0.04 0.00 -0.22 0.00 0.00 33.01 30.41 1zrr s GLN 123 CO 0.03 -0.51 0.12 0.08 -0.25 0.00 0.00 175.29 174.76 1zrr s VAL 124 N 1.59 5.37 -0.52 1.09 1.01 -1.21 0.12 120.40 127.84 1zrr s VAL 124 Ca -0.01 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1zrr s VAL 124 Cb -0.17 -3.39 0.15 0.00 0.00 0.00 0.00 36.38 32.97 1zrr s VAL 124 CO -0.07 0.53 0.32 -0.22 0.00 0.00 0.00 175.10 175.66 1zrr s LEU 125 N -0.33 3.41 -0.28 3.92 2.96 -1.08 -3.10 118.68 124.19 1zrr s LEU 125 Ca 0.11 -3.09 -0.23 0.00 -0.22 0.00 0.00 54.13 50.70 1zrr s LEU 125 Cb -0.12 -1.24 0.13 0.00 0.50 0.00 0.00 46.19 45.46 1zrr s LEU 125 CO 0.01 -0.20 1.02 0.00 -1.32 0.00 0.00 176.35 175.86 1zrr s GLU 127 N 0.51 2.67 0.27 0.00 2.02 -1.26 -4.92 118.70 118.00 1zrr s GLU 127 Ca 0.00 -1.79 0.12 0.00 0.02 0.00 0.00 54.97 53.32 1zrr s GLU 127 Cb -0.05 -4.05 -0.05 0.00 0.10 0.00 0.00 34.13 30.08 1zrr s GLU 127 CO -0.09 -1.24 -0.19 -1.59 0.02 0.00 0.00 175.26 172.18 1zrr s LYS 128 N 1.36 1.72 0.00 1.61 0.00 -1.26 -4.92 119.74 118.24 1zrr s LYS 128 Ca 0.06 -1.72 0.01 0.00 0.00 0.00 0.00 55.97 54.32 1zrr s LYS 128 Cb -0.27 -1.81 0.05 0.00 0.00 0.00 0.00 37.83 35.80 1zrr s LYS 128 CO 0.00 0.34 0.42 0.27 0.00 0.00 0.00 175.35 176.38 1zrr n ASN 129 N -0.57 0.00 -4.75 0.03 2.04 -1.26 -4.32 115.26 106.43 1zrr n ASN 129 Ca -0.06 -0.04 -0.41 0.00 -0.44 0.00 0.00 54.58 53.63 1zrr n ASN 129 Cb 0.60 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.82 1zrr n ASN 129 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1zrr s ASP 130 N -1.99 6.72 -0.19 0.53 2.15 -1.25 -3.74 116.67 118.89 1zrr s ASP 130 Ca 0.01 2.61 -0.18 0.00 0.43 0.00 0.00 52.55 55.42 1zrr s ASP 130 Cb 0.01 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.97 1zrr s ASP 130 CO 0.01 -0.65 0.48 -0.22 -0.17 0.00 0.00 175.17 174.63 1zrr s LEU 131 N -0.43 4.16 -0.18 -1.34 1.98 -1.08 -4.26 118.68 117.53 1zrr s LEU 131 Ca 0.58 0.65 -0.05 0.00 -2.89 0.00 0.00 54.13 52.42 1zrr s LEU 131 Cb -0.40 -2.66 -0.03 0.00 0.66 0.00 0.00 46.19 43.76 1zrr s LEU 131 CO 0.43 -0.13 -0.01 -0.63 -1.89 0.00 0.00 176.35 174.11 1zrr s ILE 132 N 1.44 4.00 0.04 6.68 1.09 -1.20 -3.42 121.20 129.84 1zrr s ILE 132 Ca 0.23 -0.31 0.09 0.00 -1.10 0.00 0.00 60.65 59.56 1zrr s ILE 132 Cb -0.15 -2.78 -0.03 0.00 -1.06 0.00 0.00 42.46 38.44 1zrr s ILE 132 CO 0.09 0.46 -0.26 -0.55 -0.10 0.00 0.00 174.94 174.59 1zrr s SER 133 N 0.64 3.06 0.01 3.58 0.15 -1.26 -2.20 113.70 117.67 1zrr s SER 133 Ca -0.01 -0.57 0.08 0.00 0.70 0.00 0.00 55.95 56.15 1zrr s SER 133 Cb -0.14 -0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1zrr s SER 133 CO 0.02 0.25 -0.24 -0.69 1.20 0.00 0.00 173.24 173.78 1zrr s VAL 134 N -0.79 2.24 0.49 4.45 1.01 -0.90 -3.82 120.40 123.08 1zrr s VAL 134 Ca 0.11 -1.19 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 1zrr s VAL 134 Cb -0.10 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 1zrr s VAL 134 CO 0.02 0.47 1.18 -2.16 0.00 0.00 0.00 175.10 174.62 1zrr s PRO 135 N -0.95 3.58 0.17 2.72 0.04 -1.26 -1.19 135.00 138.12 1zrr s PRO 135 Ca 0.11 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1zrr s PRO 135 Cb -0.10 -2.30 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 1zrr s PRO 135 CO 0.01 -0.71 1.24 0.00 0.04 0.00 0.00 177.00 177.58 1zrr s ALA 136 N -1.55 3.47 0.00 8.56 0.00 -1.26 -2.93 121.76 128.05 1zrr s ALA 136 Ca 0.67 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1zrr s ALA 136 Cb -0.29 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1zrr s ALA 136 CO 0.35 -0.44 0.00 1.58 0.00 0.00 0.00 175.76 177.25 1zrr n HIS 137 N 2.74 0.00 -4.01 0.00 -0.00 -0.77 -4.93 115.22 108.25 1zrr n HIS 137 Ca 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.43 1zrr n HIS 137 Cb 0.44 -0.02 -0.10 0.00 -0.00 0.00 0.00 29.99 30.31 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 4.61 0.21 3.57 2.01 -1.15 -5.01 115.64 117.88 1zrr s THR 138 Ca 0.00 -0.09 -0.31 0.00 0.31 0.00 0.00 61.69 61.60 1zrr s THR 138 Cb 0.00 -3.09 -0.10 0.00 0.01 0.00 0.00 72.50 69.32 1zrr s THR 138 CO 0.00 0.44 1.52 -2.16 -0.69 0.00 0.00 174.62 173.73 1zrr s PRO 139 N 0.60 4.23 0.02 4.92 0.04 -1.26 -4.63 135.00 138.92 1zrr s PRO 139 Ca 0.03 2.35 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 1zrr s PRO 139 Cb -0.13 -3.13 0.10 0.00 0.04 0.00 0.00 34.50 31.38 1zrr s PRO 139 CO 0.01 -0.53 1.02 -3.38 0.04 0.00 0.00 177.00 174.16 1zrr s HIS 140 N 0.60 -0.20 0.00 0.56 -3.43 -1.03 -3.61 115.29 108.19 1zrr s HIS 140 Ca 0.65 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.94 1zrr s HIS 140 Cb -0.43 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.29 1zrr s HIS 140 CO 0.37 -0.54 0.00 -2.67 -2.00 0.00 0.00 174.74 169.90 1zrr n TRP 141 N -0.33 0.00 -3.45 0.38 2.14 -1.26 -2.33 117.44 112.59 1zrr n TRP 141 Ca -0.06 0.00 0.01 0.00 2.07 0.00 0.00 57.50 59.52 1zrr n TRP 141 Cb 0.61 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.06 1zrr n TRP 141 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1zrr s PHE 142 N 1.27 -0.39 -0.03 -2.67 2.19 -1.14 -4.76 117.98 112.45 1zrr s PHE 142 Ca 0.00 0.72 0.00 0.00 0.33 0.00 0.00 56.93 57.99 1zrr s PHE 142 Cb 0.00 0.24 0.03 0.00 -1.31 0.00 0.00 43.02 41.97 1zrr s PHE 142 CO 0.00 -0.20 -0.00 0.34 1.83 0.00 0.00 175.22 177.19 1zrr s ASP 143 N 1.84 0.42 -0.16 6.13 3.68 -1.26 -2.63 116.67 124.70 1zrr s ASP 143 Ca -0.04 -0.03 0.17 0.00 2.13 0.00 0.00 52.55 54.77 1zrr s ASP 143 Cb -0.03 -0.23 0.76 0.00 -1.45 0.00 0.00 42.92 41.97 1zrr s ASP 143 CO -0.15 -0.10 1.68 0.23 0.13 0.00 0.00 175.17 176.96 1zrr n MET 144 N 4.11 4.20 0.00 4.34 2.81 -1.26 -4.41 117.12 126.91 1zrr n MET 144 Ca -0.27 -3.01 0.00 0.00 -1.81 0.00 0.00 57.70 52.61 1zrr n MET 144 Cb 0.50 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 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 0.89 1.50 3.66 3.03 0.00 -1.26 -3.65 105.19 109.35 1zrr n GLY 145 Ca 0.27 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 1zrr n GLY 145 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zrr s SER 146 N -2.53 7.04 -0.25 1.61 1.04 -1.26 -4.89 113.70 114.46 1zrr s SER 146 Ca 0.00 1.30 -0.03 0.00 0.48 0.00 0.00 55.95 57.70 1zrr s SER 146 Cb 0.00 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.63 1zrr s SER 146 CO 0.00 -0.56 -0.04 -1.83 0.98 0.00 0.00 173.24 171.79 1zrr s GLU 147 N 2.79 2.92 -0.78 4.02 -1.05 -1.24 -4.92 118.70 120.44 1zrr s GLU 147 Ca 0.42 -0.93 -0.01 0.00 -0.15 0.00 0.00 54.97 54.30 1zrr s GLU 147 Cb -0.16 -3.04 0.36 0.00 -0.44 0.00 0.00 34.13 30.85 1zrr s GLU 147 CO 0.09 -0.39 1.85 -0.35 0.95 0.00 0.00 175.26 177.42 1zrr n PRO 148 N 4.71 2.95 -1.36 -4.83 -0.04 -1.26 -4.80 135.00 130.37 1zrr n PRO 148 Ca -0.16 -3.74 0.00 0.00 -0.04 0.00 0.00 63.50 59.56 1zrr n PRO 148 Cb 0.47 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 -0.51 -1.81 -4.96 3.54 4.05 -1.26 -4.63 115.26 109.67 1zrr n ASN 149 Ca 0.51 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 55.32 1zrr n ASN 149 Cb 0.31 -0.91 -0.00 0.00 1.23 0.00 0.00 39.78 40.41 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 -2.73 3.28 -0.09 1.20 -0.71 -1.26 -4.77 117.98 112.90 1zrr s PHE 150 Ca 0.00 0.10 0.01 0.00 -1.04 0.00 0.00 56.93 56.00 1zrr s PHE 150 Cb 0.00 -2.04 0.02 0.00 -1.21 0.00 0.00 43.02 39.79 1zrr s PHE 150 CO 0.00 -0.05 -0.10 0.99 -1.34 0.00 0.00 175.22 174.71 1zrr s THR 151 N -2.32 1.11 0.07 -4.49 2.01 -0.41 -4.15 115.64 107.46 1zrr s THR 151 Ca 0.44 -0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.01 1zrr s THR 151 Cb -0.10 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 1zrr s THR 151 CO 0.34 0.37 0.04 0.00 -0.69 0.00 0.00 174.62 174.69 1zrr s ALA 152 N 1.22 0.35 -0.15 7.40 0.00 -0.52 -0.92 121.76 129.14 1zrr s ALA 152 Ca -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1zrr s ALA 152 Cb -0.14 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1zrr s ALA 152 CO -0.03 -0.43 -0.07 0.42 0.00 0.00 0.00 175.76 175.65 1zrr s ILE 153 N -3.92 3.54 0.18 0.00 1.01 -0.01 -0.98 121.20 121.02 1zrr s ILE 153 Ca 0.09 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1zrr s ILE 153 Cb 0.07 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1zrr s ILE 153 CO -0.09 0.50 0.02 -0.60 0.00 0.00 0.00 174.94 174.77 1zrr s ARG 154 N 0.44 1.13 0.13 2.79 6.06 -1.08 -3.25 118.95 125.17 1zrr s ARG 154 Ca -0.06 -1.55 0.05 0.00 -2.50 0.00 0.00 55.73 51.67 1zrr s ARG 154 Cb -0.15 -0.22 -0.04 0.00 0.06 0.00 0.00 34.95 34.60 1zrr s ARG 154 CO 0.04 -0.16 0.06 0.42 -2.50 0.00 0.00 175.30 173.16 1zrr s ILE 155 N -3.71 4.20 -0.28 4.11 -1.09 -1.26 -2.91 121.20 120.27 1zrr s ILE 155 Ca 0.25 -1.07 -0.14 0.00 -2.23 0.00 0.00 60.65 57.46 1zrr s ILE 155 Cb 0.06 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1zrr s ILE 155 CO 0.05 -0.01 0.33 -0.36 -1.23 0.00 0.00 174.94 173.72 1zrr s PHE 156 N -1.56 3.24 0.16 3.97 2.99 0.83 -4.90 117.98 122.71 1zrr s PHE 156 Ca 0.28 0.31 0.02 0.00 0.00 0.00 0.00 56.93 57.54 1zrr s PHE 156 Cb -0.11 -2.54 -0.05 0.00 0.00 0.00 0.00 43.02 40.33 1zrr s PHE 156 CO 0.21 -0.23 -0.01 0.16 -0.00 0.00 0.00 175.22 175.35 1zrr s ASP 157 N 1.67 1.20 0.38 1.36 3.84 -1.26 -2.84 116.67 121.02 1zrr s ASP 157 Ca 0.13 -1.15 0.01 0.00 -0.00 0.00 0.00 52.55 51.53 1zrr s ASP 157 Cb -0.16 0.12 -0.02 0.00 -1.38 0.00 0.00 42.92 41.47 1zrr s ASP 157 CO 0.10 -0.56 0.59 0.54 -0.00 0.00 0.00 175.17 175.85 1zrr s ASN 158 N -3.16 6.14 0.04 2.11 2.20 -1.26 -5.03 114.94 115.98 1zrr s ASN 158 Ca 0.22 0.39 -0.28 0.00 -0.94 0.00 0.00 52.86 52.26 1zrr s ASN 158 Cb 0.06 -1.86 -0.17 0.00 -2.00 0.00 0.00 41.25 37.28 1zrr s ASN 158 CO 0.03 -0.43 1.40 1.55 -2.94 0.00 0.00 177.10 176.71 1zrr h PRO 159 N 0.63 -0.58 0.00 3.55 0.13 -2.02 -2.53 132.00 131.19 1zrr h PRO 159 Ca -0.48 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1zrr h PRO 159 Cb 1.23 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1zrr h PRO 159 CO 0.60 -0.30 0.58 0.39 -0.23 0.00 0.00 178.00 179.04 1zrr n GLU 160 N -5.28 0.03 0.04 0.86 1.02 -1.26 0.22 120.64 116.27 1zrr n GLU 160 Ca -0.11 0.46 -0.20 0.00 -0.02 0.00 0.00 57.16 57.29 1zrr n GLU 160 Cb 0.29 -2.19 -0.11 0.00 -0.02 0.00 0.00 31.44 29.42 1zrr n GLU 160 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1zrr h GLY 161 N 0.00 0.75 -2.83 0.62 0.00 -1.85 -3.46 103.07 96.30 1zrr h GLY 161 Ca 0.00 -1.32 -0.53 0.00 0.00 0.00 0.00 47.33 45.48 1zrr h GLY 161 CO 0.00 1.17 -0.58 0.66 0.00 0.00 0.00 176.54 177.79 1zrr s TRP 162 N -3.30 2.94 0.02 5.60 -2.14 0.59 -2.88 118.94 119.76 1zrr s TRP 162 Ca -0.10 -0.15 -0.01 0.00 2.66 0.00 0.00 56.10 58.49 1zrr s TRP 162 Cb 0.06 -1.32 -0.04 0.00 -3.10 0.00 0.00 33.47 29.07 1zrr s TRP 162 CO 0.91 0.56 0.18 0.42 -2.66 0.00 0.00 176.95 176.36 1zrr s ILE 163 N -2.17 5.31 0.00 0.66 1.01 -0.37 -4.90 121.20 120.74 1zrr s ILE 163 Ca 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1zrr s ILE 163 Cb -0.07 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1zrr s ILE 163 CO 0.23 0.26 0.79 0.00 0.00 0.00 0.00 174.94 176.22 1zrr n ALA 164 N 0.75 -0.14 -2.33 9.38 0.00 -1.26 -3.39 120.51 123.51 1zrr n ALA 164 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1zrr n ALA 164 Cb 0.52 0.21 -0.09 0.00 0.00 0.00 0.00 19.45 20.10 1zrr n ALA 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1zrr s GLN 165 N -2.18 0.81 -0.11 0.00 -0.44 -1.26 -3.78 119.66 112.69 1zrr s GLN 165 Ca 0.00 -1.16 -0.11 0.00 -2.50 0.00 0.00 55.36 51.59 1zrr s GLN 165 Cb 0.00 0.28 -0.27 0.00 -1.64 0.00 0.00 33.01 31.38 1zrr s GLN 165 CO 0.00 -0.22 0.47 0.35 0.50 0.00 0.00 175.29 176.38 1zrr h PHE 166 N 2.90 0.49 0.00 1.67 3.57 -1.89 -3.41 116.94 120.27 1zrr h PHE 166 Ca -0.34 -0.36 -0.14 0.00 3.53 0.00 0.00 57.97 60.66 1zrr h PHE 166 Cb 1.18 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 1zrr h PHE 166 CO 0.46 1.69 -1.53 0.25 -2.23 0.00 0.00 178.31 176.96 1zrr n THR 167 N -3.68 0.53 0.00 4.41 -2.24 -1.26 -5.02 114.28 107.02 1zrr n THR 167 Ca -0.29 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1zrr n THR 167 Cb 0.99 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1zrr n THR 167 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zrr n GLY 168 N 2.63 0.29 3.79 3.38 0.00 -1.26 -5.07 105.19 108.94 1zrr n GLY 168 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.11 7.23 -0.64 1.61 1.01 -1.26 -5.02 116.67 117.48 1zrr s ASP 169 Ca 0.00 1.79 -0.03 0.00 0.71 0.00 0.00 52.55 55.03 1zrr s ASP 169 Cb 0.00 -2.57 0.17 0.00 1.01 0.00 0.00 42.92 41.53 1zrr s ASP 169 CO 0.00 -0.15 0.46 -0.62 0.21 0.00 0.00 175.17 175.07 1zrr s ASP 170 N -1.77 5.26 0.36 0.27 2.15 -1.26 -4.83 116.67 116.85 1zrr s ASP 170 Ca 0.53 -2.91 0.23 0.00 0.43 0.00 0.00 52.55 50.83 1zrr s ASP 170 Cb -0.16 -1.86 0.23 0.00 -0.30 0.00 0.00 42.92 40.83 1zrr s ASP 170 CO 0.21 -0.36 1.42 0.16 -0.17 0.00 0.00 175.17 176.44 1zrr h ILE 171 N 5.19 0.02 -0.69 4.11 3.07 -1.96 -3.30 117.51 123.96 1zrr h ILE 171 Ca -0.00 -1.03 0.06 0.00 1.55 0.00 0.00 64.86 65.44 1zrr h ILE 171 Cb 0.94 1.85 -0.06 0.00 -0.27 0.00 0.00 36.82 39.29 1zrr h ILE 171 CO 0.72 0.01 0.39 0.00 -1.05 0.00 0.00 178.15 178.21 1zrr h ALA 172 N 1.99 0.92 0.00 0.16 0.00 -1.89 0.23 119.26 120.67 1zrr h ALA 172 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zrr h ALA 172 Cb 1.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1zrr h ALA 172 CO 0.00 0.07 0.01 0.45 0.00 0.00 0.00 179.25 179.78 1zrr n SER 173 N -4.77 0.00 0.11 0.00 2.88 -1.24 -0.56 113.62 110.04 1zrr n SER 173 Ca 0.09 0.06 0.12 0.00 -1.33 0.00 0.00 58.87 57.80 1zrr n SER 173 Cb 0.17 -0.06 0.08 0.00 -0.75 0.00 0.00 64.21 63.65 1zrr n SER 173 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zrr h ALA 174 N 1.62 0.60 -0.51 -1.46 0.00 -0.76 -3.36 119.26 115.39 1zrr h ALA 174 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1zrr h ALA 174 Cb 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.68 1zrr h ALA 174 CO 0.00 0.00 0.13 0.66 0.00 0.00 0.00 179.25 180.04 1zrr n TYR 175 N -2.59 1.63 0.06 0.00 4.02 0.28 -4.79 117.16 115.77 1zrr n TYR 175 Ca 0.02 -1.48 0.01 0.00 -0.01 0.00 0.00 57.90 56.43 1zrr n TYR 175 Cb 0.52 -0.58 0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1zrr n TYR 175 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1zrr n PRO 176 N -0.91 0.02 -3.07 -0.72 -0.04 -1.26 -4.70 135.00 124.33 1zrr n PRO 176 Ca 0.38 0.27 -0.33 0.00 -0.04 0.00 0.00 63.50 63.77 1zrr n PRO 176 Cb 1.19 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 33.08 1zrr n PRO 176 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1zrr s ARG 177 N -2.56 4.10 -0.62 0.54 3.52 -1.26 -4.75 118.95 117.92 1zrr s ARG 177 Ca 0.01 0.80 -0.22 0.00 -0.13 0.00 0.00 55.73 56.19 1zrr s ARG 177 Cb 0.01 -2.47 0.07 0.00 -1.56 0.00 0.00 34.95 31.00 1zrr s ARG 177 CO 0.02 0.17 0.90 -1.17 -0.81 0.00 0.00 175.30 174.40 1zrr s LEU 178 N -2.83 4.55 0.00 -0.88 2.96 -1.26 -4.82 118.68 116.40 1zrr s LEU 178 Ca 0.54 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1zrr s LEU 178 Cb -0.11 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.12 1zrr s LEU 178 CO 0.17 -1.32 0.00 0.00 -1.32 0.00 0.00 176.35 173.88