#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 4.53 -0.29 7.33 0.00 -1.20 -3.16 121.76 128.97 1zrr s ALA 2 Ca 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 51.96 50.21 1zrr s ALA 2 Cb 0.00 -1.62 0.17 0.00 0.00 0.00 0.00 23.12 21.66 1zrr s ALA 2 CO 0.00 -0.37 0.58 -1.17 0.00 0.00 0.00 175.76 174.80 1zrr s LEU 3 N -4.40 -1.24 -0.18 0.00 2.96 -0.90 -3.03 118.68 111.88 1zrr s LEU 3 Ca 0.56 0.97 -0.06 0.00 -0.22 0.00 0.00 54.13 55.39 1zrr s LEU 3 Cb -0.09 2.07 -0.03 0.00 0.50 0.00 0.00 46.19 48.63 1zrr s LEU 3 CO 0.34 -0.25 0.02 -0.89 -1.32 0.00 0.00 176.35 174.24 1zrr s THR 4 N 2.83 4.35 -0.08 3.68 2.01 0.26 -3.31 115.64 125.37 1zrr s THR 4 Ca 0.14 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.98 1zrr s THR 4 Cb -0.14 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.43 1zrr s THR 4 CO -0.20 0.46 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.38 1zrr s ILE 5 N 0.48 1.67 0.29 1.82 1.01 -1.09 0.84 121.20 126.22 1zrr s ILE 5 Ca 0.00 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 59.92 1zrr s ILE 5 Cb -0.13 -1.46 -0.06 0.00 0.01 0.00 0.00 42.46 40.81 1zrr s ILE 5 CO 0.02 0.47 -0.04 -0.36 0.00 0.00 0.00 174.94 175.03 1zrr s PHE 6 N 0.47 1.96 0.78 3.97 0.40 -1.16 -2.53 117.98 121.87 1zrr s PHE 6 Ca -0.17 -0.73 -0.09 0.00 -0.60 0.00 0.00 56.93 55.34 1zrr s PHE 6 Cb -0.17 -1.15 0.10 0.00 0.51 0.00 0.00 43.02 42.31 1zrr s PHE 6 CO 0.07 0.25 1.10 -1.12 0.70 0.00 0.00 175.22 176.22 1zrr s SER 7 N -3.45 4.34 -0.03 1.36 0.01 -1.21 -2.72 113.70 111.99 1zrr s SER 7 Ca 0.30 0.35 0.11 0.00 1.31 0.00 0.00 55.95 58.03 1zrr s SER 7 Cb 0.05 -0.81 -0.23 0.00 0.21 0.00 0.00 66.02 65.24 1zrr s SER 7 CO 0.12 -1.92 0.70 -0.37 0.41 0.00 0.00 173.24 172.18 1zrr h VAL 8 N -0.88 0.90 -0.11 3.43 -1.51 -1.91 -3.37 116.25 112.79 1zrr h VAL 8 Ca -0.44 -2.74 -0.22 0.00 -1.23 0.00 0.00 66.70 62.08 1zrr h VAL 8 Cb 1.29 2.45 0.01 0.00 -2.13 0.00 0.00 31.29 32.91 1zrr h VAL 8 CO 0.54 0.54 -0.79 0.50 -1.23 0.00 0.00 177.57 177.12 1zrr h LYS 9 N 0.00 0.66 -3.60 5.19 3.64 -1.98 -3.43 116.57 117.06 1zrr h LYS 9 Ca -0.27 -0.56 -0.38 0.00 -1.27 0.00 0.00 60.65 58.17 1zrr h LYS 9 Cb 2.00 0.12 -0.37 0.00 -0.41 0.00 0.00 32.23 33.57 1zrr h LYS 9 CO 0.08 1.17 -0.75 0.16 -2.27 0.00 0.00 179.45 177.85 1zrr s ASP 10 N -7.08 0.99 0.09 4.20 -4.77 -1.26 -5.02 116.67 103.82 1zrr s ASP 10 Ca -0.09 -0.01 0.07 0.00 -3.30 0.00 0.00 52.55 49.22 1zrr s ASP 10 Cb 0.09 -0.27 -0.22 0.00 -1.09 0.00 0.00 42.92 41.44 1zrr s ASP 10 CO 0.89 -0.17 1.19 1.55 0.70 0.00 0.00 175.17 179.32 1zrr h PRO 11 N 7.93 0.02 0.00 2.11 0.13 -1.85 -3.25 132.00 137.09 1zrr h PRO 11 Ca -0.26 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1zrr h PRO 11 Cb 1.13 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1zrr h PRO 11 CO 0.31 0.95 0.00 0.00 -0.23 0.00 0.00 178.00 179.04 1zrr n GLN 12 N -3.33 0.48 -4.06 0.86 10.64 -1.26 -4.50 117.38 116.22 1zrr n GLN 12 Ca -0.03 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.81 1zrr n GLN 12 Cb 0.96 -1.39 -0.15 0.00 -0.86 0.00 0.00 30.24 28.80 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 -1.89 3.51 -0.22 2.61 0.02 -1.23 -5.09 114.94 112.65 1zrr s ASN 13 Ca 0.18 -0.62 -0.14 0.00 -1.02 0.00 0.00 52.86 51.26 1zrr s ASN 13 Cb 0.08 -1.55 -0.04 0.00 0.02 0.00 0.00 41.25 39.76 1zrr s ASN 13 CO 0.14 -0.02 0.33 -0.94 0.02 0.00 0.00 177.10 176.63 1zrr s SER 14 N 1.33 6.32 0.14 -1.22 1.04 -1.26 -3.32 113.70 116.73 1zrr s SER 14 Ca 0.05 0.37 0.24 0.00 0.48 0.00 0.00 55.95 57.09 1zrr s SER 14 Cb -0.14 -2.19 0.36 0.00 0.10 0.00 0.00 66.02 64.15 1zrr s SER 14 CO -0.10 -0.05 1.34 -0.07 0.98 0.00 0.00 173.24 175.34 1zrr h LEU 15 N 7.75 0.00 -6.05 2.42 3.38 -1.81 -3.44 115.31 117.56 1zrr h LEU 15 Ca -0.36 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.49 1zrr h LEU 15 Cb 1.16 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.69 1zrr h LEU 15 CO 0.69 0.09 -0.31 0.86 0.09 0.00 0.00 178.44 179.86 1zrr s TRP 16 N -3.18 -1.55 -0.16 1.13 -0.00 -1.22 -5.08 118.94 108.89 1zrr s TRP 16 Ca 0.06 1.52 0.02 0.00 -0.00 0.00 0.00 56.10 57.70 1zrr s TRP 16 Cb 0.13 0.47 0.02 0.00 -0.00 0.00 0.00 33.47 34.08 1zrr s TRP 16 CO 0.71 -0.89 -0.20 -1.58 -0.00 0.00 0.00 176.95 174.99 1zrr s HIS 17 N 2.82 2.67 0.10 5.86 5.65 -1.26 -2.68 115.29 128.45 1zrr s HIS 17 Ca 0.19 -1.48 -0.26 0.00 0.25 0.00 0.00 55.06 53.76 1zrr s HIS 17 Cb -0.14 -1.84 0.08 0.00 -1.18 0.00 0.00 32.58 29.49 1zrr s HIS 17 CO -0.21 -0.71 0.84 0.45 -0.65 0.00 0.00 174.74 174.46 1zrr s SER 18 N 1.11 -0.33 -0.42 9.88 0.15 -1.21 -5.08 113.70 117.79 1zrr s SER 18 Ca 0.00 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1zrr s SER 18 Cb -0.14 0.49 0.14 0.00 -1.71 0.00 0.00 66.02 64.79 1zrr s SER 18 CO -0.08 -0.84 0.23 0.28 1.20 0.00 0.00 173.24 174.03 1zrr s THR 19 N -3.36 1.18 0.05 6.45 -1.32 -1.26 -2.12 115.64 115.26 1zrr s THR 19 Ca 0.07 -2.41 0.07 0.00 -1.21 0.00 0.00 61.69 58.21 1zrr s THR 19 Cb -0.02 -1.83 -0.03 0.00 -1.51 0.00 0.00 72.50 69.12 1zrr s THR 19 CO -0.05 -0.91 -0.20 0.20 -2.21 0.00 0.00 174.62 171.46 1zrr s ASN 20 N 0.48 2.34 -0.03 8.08 0.02 -1.19 -4.71 114.94 119.93 1zrr s ASN 20 Ca 0.18 -0.53 -0.16 0.00 -1.02 0.00 0.00 52.86 51.33 1zrr s ASN 20 Cb -0.24 -0.18 -0.32 0.00 0.02 0.00 0.00 41.25 40.53 1zrr s ASN 20 CO 0.00 0.13 0.81 0.00 0.02 0.00 0.00 177.10 178.06 1zrr h ALA 21 N 4.80 -0.00 0.03 0.60 0.00 -1.99 -3.06 119.26 119.63 1zrr h ALA 21 Ca -0.42 -0.94 -0.10 0.00 0.00 0.00 0.00 54.91 53.45 1zrr h ALA 21 Cb 1.17 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1zrr h ALA 21 CO 0.43 0.74 -0.51 1.49 0.00 0.00 0.00 179.25 181.40 1zrr h GLU 22 N -0.06 0.06 0.00 0.00 4.81 -1.99 -3.17 114.58 114.23 1zrr h GLU 22 Ca -0.27 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1zrr h GLU 22 Cb 1.97 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.38 1zrr h GLU 22 CO 0.18 1.05 0.00 1.49 -0.73 0.00 0.00 179.01 181.00 1zrr h GLU 23 N -0.87 0.00 0.29 1.92 4.81 -1.98 0.27 114.58 119.02 1zrr h GLU 23 Ca -0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1zrr h GLU 23 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1zrr h GLU 23 CO -0.03 0.00 -0.14 0.82 -0.73 0.00 0.00 179.01 178.93 1zrr h ILE 24 N 0.00 0.22 -0.72 2.32 2.04 -1.59 0.16 117.51 119.93 1zrr h ILE 24 Ca 0.00 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1zrr h ILE 24 Cb 0.07 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1zrr h ILE 24 CO 0.00 0.06 0.41 0.06 0.00 0.00 0.00 178.15 178.68 1zrr h GLN 25 N -1.06 1.00 -0.23 2.37 3.07 -1.44 1.99 115.11 120.81 1zrr h GLN 25 Ca -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 58.65 58.59 1zrr h GLN 25 Cb 0.40 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 1zrr h GLN 25 CO 0.07 0.73 0.12 0.37 0.09 0.00 0.00 178.83 180.21 1zrr h GLN 26 N 0.99 0.32 0.00 0.06 4.15 -1.03 0.97 115.11 120.57 1zrr h GLN 26 Ca 0.26 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.51 1zrr h GLN 26 Cb 0.01 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 27.64 1zrr h GLN 26 CO -0.04 0.30 -0.49 0.37 -1.93 0.00 0.00 178.83 177.04 1zrr h GLN 27 N 0.25 0.32 0.53 1.69 4.15 -0.57 -2.41 115.11 119.08 1zrr h GLN 27 Ca 0.08 -0.35 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 1zrr h GLN 27 Cb 0.08 0.10 0.01 0.00 0.21 0.00 0.00 27.48 27.87 1zrr h GLN 27 CO -0.01 1.05 -0.26 1.25 -1.93 0.00 0.00 178.83 178.93 1zrr h LEU 28 N -0.26 -0.60 -2.05 -2.39 5.85 0.32 -1.76 115.31 114.42 1zrr h LEU 28 Ca -0.06 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1zrr h LEU 28 Cb 1.22 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1zrr h LEU 28 CO 0.10 -0.28 0.12 0.78 -0.34 0.00 0.00 178.44 178.82 1zrr h ASN 29 N -0.94 0.00 0.24 1.25 4.21 0.87 0.24 115.58 121.45 1zrr h ASN 29 Ca -0.07 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.40 1zrr h ASN 29 Cb 0.62 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1zrr h ASN 29 CO 0.12 0.00 -0.15 0.00 -1.29 0.00 0.00 177.43 176.11 1zrr h ALA 30 N 1.73 1.53 -0.36 -0.83 0.00 -0.78 -0.15 119.26 120.39 1zrr h ALA 30 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1zrr h ALA 30 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1zrr h ALA 30 CO 0.00 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.07 1zrr n LYS 31 N -4.04 1.90 -0.47 0.00 4.76 0.83 -4.84 118.16 116.30 1zrr n LYS 31 Ca -0.02 -1.32 0.00 0.00 -2.87 0.00 0.00 58.31 54.09 1zrr n LYS 31 Cb 0.24 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1zrr n LYS 31 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1zrr n GLY 32 N 1.04 1.01 3.86 0.72 0.00 -0.07 -5.04 105.19 106.70 1zrr n GLY 32 Ca 0.12 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 5.06 0.44 1.61 1.01 -1.21 -4.54 120.40 120.78 1zrr s VAL 33 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.48 1zrr s VAL 33 Cb 0.00 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1zrr s VAL 33 CO 0.00 0.39 0.82 -0.60 0.00 0.00 0.00 175.10 175.70 1zrr s ARG 34 N -1.63 3.76 0.03 2.72 3.52 -1.15 -3.97 118.95 122.22 1zrr s ARG 34 Ca 0.30 0.52 -0.22 0.00 -0.13 0.00 0.00 55.73 56.20 1zrr s ARG 34 Cb -0.15 -2.33 0.05 0.00 -1.56 0.00 0.00 34.95 30.96 1zrr s ARG 34 CO 0.16 -0.12 0.51 0.12 -0.81 0.00 0.00 175.30 175.16 1zrr s PHE 35 N -2.50 -0.41 -0.01 5.12 5.36 -1.26 -3.99 117.98 120.28 1zrr s PHE 35 Ca 0.52 0.52 -0.29 0.00 -0.96 0.00 0.00 56.93 56.71 1zrr s PHE 35 Cb -0.10 0.31 0.11 0.00 -0.34 0.00 0.00 43.02 43.00 1zrr s PHE 35 CO 0.34 -0.60 1.28 -2.00 -1.46 0.00 0.00 175.22 172.78 1zrr s GLU 36 N -2.16 0.42 -0.17 10.12 2.56 -1.25 -4.96 118.70 123.26 1zrr s GLU 36 Ca -0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 54.97 54.60 1zrr s GLU 36 Cb -0.01 0.13 0.08 0.00 2.00 0.00 0.00 34.13 36.33 1zrr s GLU 36 CO 0.01 -0.19 0.31 1.03 -0.56 0.00 0.00 175.26 175.85 1zrr s ARG 37 N -2.28 0.22 0.16 4.30 0.52 -1.26 -3.39 118.95 117.21 1zrr s ARG 37 Ca 0.19 0.72 0.07 0.00 -0.52 0.00 0.00 55.73 56.19 1zrr s ARG 37 Cb 0.03 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.31 1zrr s ARG 37 CO -0.03 -0.37 0.01 -1.58 0.02 0.00 0.00 175.30 173.36 1zrr s TRP 38 N 2.47 2.88 0.04 -0.53 0.51 -1.26 -4.97 118.94 118.08 1zrr s TRP 38 Ca 0.03 -0.11 -0.02 0.00 -2.12 0.00 0.00 56.10 53.87 1zrr s TRP 38 Cb -0.13 -1.41 -0.03 0.00 -0.81 0.00 0.00 33.47 31.10 1zrr s TRP 38 CO -0.11 0.51 0.01 -0.65 -0.51 0.00 0.00 176.95 176.20 1zrr s GLN 39 N -2.87 0.53 0.18 4.98 -1.52 -1.26 -4.73 119.66 114.97 1zrr s GLN 39 Ca 0.27 -0.92 0.04 0.00 -1.95 0.00 0.00 55.36 52.80 1zrr s GLN 39 Cb -0.10 0.19 -0.03 0.00 -0.22 0.00 0.00 33.01 32.85 1zrr s GLN 39 CO 0.19 -0.11 0.28 0.00 -0.25 0.00 0.00 175.29 175.41 1zrr s ALA 40 N -2.89 3.89 -0.78 6.09 0.00 -1.26 -5.00 121.76 121.81 1zrr s ALA 40 Ca -0.03 -1.13 0.20 0.00 0.00 0.00 0.00 51.96 51.00 1zrr s ALA 40 Cb 0.01 -1.69 -0.24 0.00 0.00 0.00 0.00 23.12 21.20 1zrr s ALA 40 CO -0.06 0.43 0.78 -0.40 0.00 0.00 0.00 175.76 176.51 1zrr n ASP 41 N -0.80 0.82 -4.92 0.00 3.85 -1.26 -4.93 116.55 109.31 1zrr n ASP 41 Ca -0.08 -0.80 -0.27 0.00 -0.71 0.00 0.00 54.79 52.94 1zrr n ASP 41 Cb 0.55 1.17 -0.02 0.00 -1.35 0.00 0.00 41.12 41.47 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 -2.99 3.57 -0.28 0.11 3.52 -1.26 -5.05 118.95 116.57 1zrr s ARG 42 Ca 0.05 -0.14 -0.18 0.00 -0.13 0.00 0.00 55.73 55.33 1zrr s ARG 42 Cb 0.15 -2.67 -0.02 0.00 -1.56 0.00 0.00 34.95 30.85 1zrr s ARG 42 CO 0.83 0.21 0.54 0.34 -0.81 0.00 0.00 175.30 176.40 1zrr s ASP 43 N -3.45 6.43 0.47 -2.12 3.68 -1.26 -5.06 116.67 115.36 1zrr s ASP 43 Ca 0.42 0.45 -0.01 0.00 2.13 0.00 0.00 52.55 55.54 1zrr s ASP 43 Cb -0.10 -2.29 -0.01 0.00 -1.45 0.00 0.00 42.92 39.07 1zrr s ASP 43 CO 0.32 -0.34 0.72 -0.76 0.13 0.00 0.00 175.17 175.24 1zrr s LEU 44 N 2.37 3.60 0.00 -1.34 1.43 -1.26 -5.03 118.68 118.44 1zrr s LEU 44 Ca 0.22 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1zrr s LEU 44 Cb -0.15 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1zrr s LEU 44 CO 0.10 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1zrr n GLY 45 N -2.17 0.36 3.56 -3.19 0.00 -1.26 -5.04 105.19 97.45 1zrr n GLY 45 Ca 0.01 0.37 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 1zrr n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 46 N -1.08 2.56 -0.50 4.61 0.00 -1.26 -4.90 121.76 121.19 1zrr s ALA 46 Ca 0.00 -1.88 0.04 0.00 0.00 0.00 0.00 51.96 50.12 1zrr s ALA 46 Cb 0.00 -4.46 0.13 0.00 0.00 0.00 0.00 23.12 18.79 1zrr s ALA 46 CO 0.00 -3.71 0.24 0.00 0.00 0.00 0.00 175.76 172.29 1zrr s ALA 47 N 6.01 3.27 -0.09 0.00 0.00 -1.26 -4.93 121.76 124.77 1zrr s ALA 47 Ca 0.48 -3.17 0.23 0.00 0.00 0.00 0.00 51.96 49.49 1zrr s ALA 47 Cb -0.03 -2.16 0.62 0.00 0.00 0.00 0.00 23.12 21.55 1zrr s ALA 47 CO -0.01 -1.98 1.70 -1.00 0.00 0.00 0.00 175.76 174.47 1zrr h PRO 48 N 6.68 0.00 -6.39 0.00 0.13 -2.06 -3.44 132.00 126.92 1zrr h PRO 48 Ca -0.07 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.41 1zrr h PRO 48 Cb 0.91 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.76 1zrr h PRO 48 CO 0.67 0.21 -0.87 0.95 -0.23 0.00 0.00 178.00 178.73 1zrr s THR 49 N -3.37 1.89 -0.53 1.56 -4.23 -1.26 -5.01 115.64 104.69 1zrr s THR 49 Ca 0.03 -1.13 0.24 0.00 -1.18 0.00 0.00 61.69 59.65 1zrr s THR 49 Cb 0.08 -1.59 0.31 0.00 1.34 0.00 0.00 72.50 72.64 1zrr s THR 49 CO 0.66 0.43 1.65 0.00 -0.54 0.00 0.00 174.62 176.82 1zrr h ALA 50 N 5.24 0.99 -1.08 3.99 0.00 -2.00 -3.29 119.26 123.10 1zrr h ALA 50 Ca -0.43 0.00 0.33 0.00 0.00 0.00 0.00 54.91 54.81 1zrr h ALA 50 Cb 1.14 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 1zrr h ALA 50 CO 0.46 0.00 0.66 0.93 0.00 0.00 0.00 179.25 181.29 1zrr h GLU 51 N 0.00 0.30 0.04 0.00 4.39 -1.99 1.36 114.58 118.67 1zrr h GLU 51 Ca 0.00 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 1zrr h GLU 51 Cb 0.91 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1zrr h GLU 51 CO 0.00 0.20 -1.01 1.15 -1.16 0.00 0.00 179.01 178.18 1zrr h THR 52 N 0.30 1.52 -0.15 1.13 2.02 -2.00 -3.00 112.91 112.74 1zrr h THR 52 Ca 0.72 -2.86 -0.04 0.00 0.77 0.00 0.00 66.41 65.00 1zrr h THR 52 Cb 1.81 2.67 -0.00 0.00 -1.74 0.00 0.00 68.15 70.88 1zrr h THR 52 CO -0.49 0.83 -0.07 0.58 0.37 0.00 0.00 175.52 176.75 1zrr h VAL 53 N 0.09 1.31 -0.89 3.16 2.07 0.14 -2.58 116.25 119.56 1zrr h VAL 53 Ca -0.07 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1zrr h VAL 53 Cb 1.69 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 1zrr h VAL 53 CO 0.16 0.32 0.55 0.40 0.02 0.00 0.00 177.57 179.02 1zrr h ILE 54 N -0.03 1.24 0.00 4.57 1.08 -0.44 -0.81 117.51 123.12 1zrr h ILE 54 Ca 0.03 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1zrr h ILE 54 Cb 0.53 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1zrr h ILE 54 CO 0.02 0.25 -0.15 0.00 -0.69 0.00 0.00 178.15 177.58 1zrr h ALA 55 N 1.39 1.68 0.00 1.87 0.00 -1.42 2.06 119.26 124.84 1zrr h ALA 55 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1zrr h ALA 55 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1zrr h ALA 55 CO -0.06 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1zrr h ALA 56 N 1.85 1.00 -0.00 0.00 0.00 -0.74 -3.23 119.26 118.13 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 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1zrr h ALA 56 CO 0.02 0.00 -0.16 0.66 0.00 0.00 0.00 179.25 179.77 1zrr n TYR 57 N -3.02 0.00 -0.34 0.00 4.01 -0.41 -4.62 117.16 112.78 1zrr n TYR 57 Ca 0.03 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 57.98 1zrr n TYR 57 Cb 0.44 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.93 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 0.13 0.45 -0.55 -0.72 5.75 0.33 0.18 115.11 120.67 1zrr h GLN 58 Ca 0.00 -0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.58 1zrr h GLN 58 Cb 0.11 -0.10 -0.09 0.00 1.07 0.00 0.00 27.48 28.47 1zrr h GLN 58 CO 0.00 0.30 0.04 1.12 -2.65 0.00 0.00 178.83 177.63 1zrr h HIS 59 N 0.46 0.04 0.85 3.99 2.07 -1.82 2.69 115.15 123.43 1zrr h HIS 59 Ca 0.63 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 58.15 1zrr h HIS 59 Cb 1.44 0.07 0.01 0.00 2.57 0.00 0.00 27.41 31.49 1zrr h HIS 59 CO -0.00 -0.10 -0.41 0.00 -3.07 0.00 0.00 177.93 174.35 1zrr h ALA 60 N 1.48 -1.14 0.00 6.11 0.00 -0.97 -2.55 119.26 122.19 1zrr h ALA 60 Ca 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1zrr h ALA 60 Cb 0.44 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1zrr h ALA 60 CO -0.44 -1.11 -0.13 -0.84 0.00 0.00 0.00 179.25 176.74 1zrr h ILE 61 N -1.21 1.03 -0.14 0.00 -0.00 -1.22 -0.97 117.51 115.00 1zrr h ILE 61 Ca -0.12 -0.45 0.04 0.00 -0.00 0.00 0.00 64.86 64.34 1zrr h ILE 61 Cb 0.88 1.25 -0.01 0.00 -0.00 0.00 0.00 36.82 38.94 1zrr h ILE 61 CO 0.19 0.13 0.17 -0.78 -0.00 0.00 0.00 178.15 177.85 1zrr h ASP 62 N 0.00 0.00 0.31 2.16 3.58 0.51 -0.34 116.42 122.64 1zrr h ASP 62 Ca -0.00 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.16 1zrr h ASP 62 Cb 0.23 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.31 1zrr h ASP 62 CO 0.02 0.00 -1.25 0.11 -2.88 0.00 0.00 179.24 175.24 1zrr h LYS 63 N 0.00 0.49 -0.78 0.28 1.57 -0.94 -2.91 116.57 114.29 1zrr h LYS 63 Ca 0.07 -0.71 -0.04 0.00 -1.87 0.00 0.00 60.65 58.10 1zrr h LYS 63 Cb 0.40 0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 1zrr h LYS 63 CO -0.00 1.31 0.32 -0.07 -0.57 0.00 0.00 179.45 180.45 1zrr h LEU 64 N 0.20 1.06 -1.05 2.94 4.07 -1.09 -1.91 115.31 119.52 1zrr h LEU 64 Ca -0.17 -0.15 -0.10 0.00 0.08 0.00 0.00 57.88 57.53 1zrr h LEU 64 Cb 1.93 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 43.38 1zrr h LEU 64 CO 0.23 0.93 -0.46 -0.37 -1.08 0.00 0.00 178.44 177.69 1zrr h VAL 65 N 1.13 1.33 -0.23 1.22 -1.51 -1.50 -0.25 116.25 116.44 1zrr h VAL 65 Ca 0.26 -1.58 0.06 0.00 -1.23 0.00 0.00 66.70 64.21 1zrr h VAL 65 Cb 0.19 1.83 -0.06 0.00 -2.13 0.00 0.00 31.29 31.13 1zrr h VAL 65 CO -0.02 0.46 -0.16 0.00 -1.23 0.00 0.00 177.57 176.62 1zrr h ALA 66 N 1.51 0.01 0.00 5.19 0.00 -1.13 2.09 119.26 126.93 1zrr h ALA 66 Ca -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1zrr h ALA 66 Cb 0.82 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1zrr h ALA 66 CO 0.06 -0.57 -0.40 0.93 0.00 0.00 0.00 179.25 179.27 1zrr h GLU 67 N -0.15 0.00 -0.55 0.00 5.08 -1.53 -3.34 114.58 114.10 1zrr h GLU 67 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1zrr h GLU 67 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1zrr h GLU 67 CO -0.32 0.75 0.00 1.63 -1.00 0.00 0.00 179.01 180.07 1zrr n LYS 68 N -4.59 1.94 0.00 2.33 4.01 -0.11 -4.93 118.16 116.81 1zrr n LYS 68 Ca -0.14 -0.98 0.00 0.00 -0.51 0.00 0.00 58.31 56.67 1zrr n LYS 68 Cb 0.44 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 1zrr n LYS 68 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zrr n GLY 69 N 0.56 0.00 3.83 0.72 0.00 0.71 -4.77 105.19 106.24 1zrr n GLY 69 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 3.22 0.24 1.61 1.51 -1.26 -4.94 117.35 117.73 1zrr s TYR 70 Ca 0.00 1.39 -0.06 0.00 -1.01 0.00 0.00 57.07 57.39 1zrr s TYR 70 Cb 0.00 -2.85 0.28 0.00 -0.11 0.00 0.00 41.96 39.28 1zrr s TYR 70 CO 0.00 -1.13 1.90 -0.56 -1.11 0.00 0.00 175.55 174.65 1zrr h GLN 71 N -0.64 1.15 -3.76 -0.62 3.07 -1.86 -3.44 115.11 109.01 1zrr h GLN 71 Ca -0.44 -0.07 -0.12 0.00 0.09 0.00 0.00 58.65 58.11 1zrr h GLN 71 Cb 1.21 -0.26 -0.17 0.00 0.08 0.00 0.00 27.48 28.33 1zrr h GLN 71 CO 0.58 0.76 -0.49 0.45 0.09 0.00 0.00 178.83 180.22 1zrr s SER 72 N -5.96 0.15 0.00 0.06 0.15 -1.08 -5.05 113.70 101.96 1zrr s SER 72 Ca -0.13 -0.51 -0.02 0.00 0.70 0.00 0.00 55.95 55.98 1zrr s SER 72 Cb 0.18 0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1zrr s SER 72 CO 0.80 -0.53 0.04 0.86 1.20 0.00 0.00 173.24 175.61 1zrr s TRP 73 N -2.69 0.09 0.00 3.44 -0.11 -1.26 -0.61 118.94 117.80 1zrr s TRP 73 Ca -0.04 -0.19 0.00 0.00 1.22 0.00 0.00 56.10 57.09 1zrr s TRP 73 Cb -0.01 -0.08 0.00 0.00 -1.50 0.00 0.00 33.47 31.88 1zrr s TRP 73 CO -0.05 -0.15 0.00 -0.25 -4.62 0.00 0.00 176.95 171.88 1zrr n ASP 74 N 2.10 0.00 -4.38 5.86 8.00 -1.12 -4.82 116.55 122.19 1zrr n ASP 74 Ca -0.19 -0.59 -0.19 0.00 0.71 0.00 0.00 54.79 54.53 1zrr n ASP 74 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.56 1zrr n ASP 74 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1zrr s VAL 75 N -2.17 1.31 -0.08 2.53 -7.23 -1.26 -2.14 120.40 111.35 1zrr s VAL 75 Ca 0.00 -2.07 -0.13 0.00 -1.81 0.00 0.00 61.98 57.97 1zrr s VAL 75 Cb 0.00 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 1zrr s VAL 75 CO 0.00 -0.29 0.32 -0.63 -0.31 0.00 0.00 175.10 174.19 1zrr s ILE 76 N -3.24 5.23 0.50 -0.62 1.09 -0.17 -4.88 121.20 119.10 1zrr s ILE 76 Ca 0.29 0.62 -0.01 0.00 -1.10 0.00 0.00 60.65 60.46 1zrr s ILE 76 Cb 0.05 -3.63 0.01 0.00 -1.06 0.00 0.00 42.46 37.83 1zrr s ILE 76 CO 0.10 0.51 0.73 -0.94 -0.10 0.00 0.00 174.94 175.25 1zrr s SER 77 N -0.47 5.67 -0.27 3.58 1.04 -1.26 -3.49 113.70 118.49 1zrr s SER 77 Ca 0.20 0.31 -0.23 0.00 0.48 0.00 0.00 55.95 56.70 1zrr s SER 77 Cb -0.14 -1.43 0.08 0.00 0.10 0.00 0.00 66.02 64.62 1zrr s SER 77 CO 0.08 -0.86 0.77 -0.22 0.98 0.00 0.00 173.24 173.99 1zrr s LEU 78 N -4.68 -0.74 -0.03 2.42 1.98 -1.25 -4.93 118.68 111.45 1zrr s LEU 78 Ca 0.51 1.36 0.06 0.00 -2.89 0.00 0.00 54.13 53.17 1zrr s LEU 78 Cb -0.10 2.34 -0.01 0.00 0.66 0.00 0.00 46.19 49.08 1zrr s LEU 78 CO 0.39 -0.23 -0.21 -0.60 -1.89 0.00 0.00 176.35 173.82 1zrr s ARG 79 N 0.65 1.90 0.00 1.98 3.00 -1.26 -4.32 118.95 120.89 1zrr s ARG 79 Ca -0.02 -0.74 0.16 0.00 -1.00 0.00 0.00 55.73 54.12 1zrr s ARG 79 Cb -0.05 -1.73 0.76 0.00 0.00 0.00 0.00 34.95 33.93 1zrr s ARG 79 CO -0.05 0.38 1.47 0.00 0.00 0.00 0.00 175.30 177.10 1zrr n ALA 80 N 2.80 1.83 0.08 6.12 0.00 -1.26 -2.29 120.51 127.79 1zrr n ALA 80 Ca -0.16 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.26 1zrr n ALA 80 Cb 0.53 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 1zrr n ALA 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1zrr n ASP 81 N -1.35 2.28 -4.64 0.00 4.64 -1.26 -4.85 116.55 111.37 1zrr n ASP 81 Ca 0.06 -0.13 -0.42 0.00 -1.38 0.00 0.00 54.79 52.92 1zrr n ASP 81 Cb 0.14 1.39 -0.03 0.00 -1.04 0.00 0.00 41.12 41.58 1zrr n ASP 81 CO 0.00 0.00 0.00 0.21 -0.82 0.00 0.00 177.20 176.59 1zrr s ASN 82 N -2.96 6.24 0.13 1.67 2.47 -0.97 -4.84 114.94 116.69 1zrr s ASN 82 Ca -0.02 2.20 0.23 0.00 0.42 0.00 0.00 52.86 55.69 1zrr s ASN 82 Cb 0.07 -2.53 0.17 0.00 -1.45 0.00 0.00 41.25 37.51 1zrr s ASN 82 CO 0.42 -1.28 1.17 -0.81 -3.72 0.00 0.00 177.10 172.88 1zrr n PRO 83 N 7.78 0.40 -0.00 0.43 -0.04 -1.26 -3.93 135.00 138.37 1zrr n PRO 83 Ca 0.21 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.90 1zrr n PRO 83 Cb 0.43 -1.71 0.83 0.00 -0.04 0.00 0.00 33.50 33.01 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 -2.27 1.02 -0.18 0.54 10.64 -1.26 -3.38 117.38 122.49 1zrr n GLN 84 Ca 0.02 -0.03 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 1zrr n GLN 84 Cb 0.48 -1.44 0.01 0.00 -0.86 0.00 0.00 30.24 28.42 1zrr n GLN 84 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1zrr h LYS 85 N 0.06 0.86 -0.60 2.61 1.79 -1.97 -2.86 116.57 116.46 1zrr h LYS 85 Ca 0.00 -0.26 0.12 0.00 -2.18 0.00 0.00 60.65 58.33 1zrr h LYS 85 Cb 0.01 -0.09 -0.09 0.00 -1.58 0.00 0.00 32.23 30.49 1zrr h LYS 85 CO 0.00 0.88 0.11 1.49 -1.08 0.00 0.00 179.45 180.85 1zrr h GLU 86 N 0.73 0.23 -0.69 3.15 4.22 -1.86 0.88 114.58 121.23 1zrr h GLU 86 Ca 0.15 -0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.65 1zrr h GLU 86 Cb 0.47 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1zrr h GLU 86 CO 0.02 0.15 0.37 0.00 -2.18 0.00 0.00 179.01 177.37 1zrr h ALA 87 N 1.49 0.94 -0.75 2.92 0.00 -1.73 -0.93 119.26 121.19 1zrr h ALA 87 Ca 0.31 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1zrr h ALA 87 Cb 0.48 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1zrr h ALA 87 CO -0.42 0.02 0.39 -0.07 0.00 0.00 0.00 179.25 179.16 1zrr h LEU 88 N 0.66 0.95 -2.36 0.00 3.38 -0.79 -0.86 115.31 116.29 1zrr h LEU 88 Ca 0.32 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1zrr h LEU 88 Cb 0.26 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1zrr h LEU 88 CO -0.22 0.78 0.08 0.03 0.09 0.00 0.00 178.44 179.20 1zrr h ARG 89 N 1.06 0.00 0.45 1.13 2.47 0.25 -2.31 114.38 117.42 1zrr h ARG 89 Ca 0.26 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.96 1zrr h ARG 89 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1zrr h ARG 89 CO -0.04 0.00 -0.22 1.49 0.56 0.00 0.00 179.97 181.77 1zrr h GLU 90 N 0.00 -0.58 -0.58 0.04 4.22 -0.83 -1.28 114.58 115.57 1zrr h GLU 90 Ca 0.03 0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.59 1zrr h GLU 90 Cb 0.18 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1zrr h GLU 90 CO -0.00 -0.32 0.24 0.87 -2.18 0.00 0.00 179.01 177.62 1zrr h LYS 91 N -1.09 0.42 0.00 1.92 1.57 -1.44 0.32 116.57 118.28 1zrr h LYS 91 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1zrr h LYS 91 Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1zrr h LYS 91 CO 0.10 0.28 0.00 0.74 -0.57 0.00 0.00 179.45 180.00 1zrr h PHE 92 N 0.44 0.00 -0.37 -1.35 0.04 -1.49 -2.63 116.94 111.57 1zrr h PHE 92 Ca 0.28 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.02 1zrr h PHE 92 Cb 0.31 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 1zrr h PHE 92 CO -0.15 0.00 0.11 1.25 -0.60 0.00 0.00 178.31 178.92 1zrr h LEU 93 N 0.00 0.49 -9.36 1.54 7.12 0.89 -3.30 115.31 112.70 1zrr h LEU 93 Ca 0.00 -0.06 -0.62 0.00 0.13 0.00 0.00 57.88 57.33 1zrr h LEU 93 Cb 0.36 -0.13 0.11 0.00 -0.53 0.00 0.00 40.66 40.48 1zrr h LEU 93 CO 0.00 0.49 -0.04 -0.46 -0.13 0.00 0.00 178.44 178.29 1zrr n ASN 94 N -4.35 0.63 -4.85 1.25 6.94 -0.99 -4.61 115.26 109.27 1zrr n ASN 94 Ca 0.02 1.16 -0.30 0.00 -0.02 0.00 0.00 54.58 55.43 1zrr n ASN 94 Cb 0.17 -1.21 0.05 0.00 -2.36 0.00 0.00 39.78 36.44 1zrr n ASN 94 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1zrr s GLU 95 N -1.44 2.78 0.00 -3.83 2.12 -1.26 -4.76 118.70 112.31 1zrr s GLU 95 Ca 0.60 0.64 0.00 0.00 0.36 0.00 0.00 54.97 56.57 1zrr s GLU 95 Cb -0.75 -2.00 0.00 0.00 0.26 0.00 0.00 34.13 31.65 1zrr s GLU 95 CO 0.59 -1.13 0.00 -2.39 -0.54 0.00 0.00 175.26 171.79 1zrr n HIS 96 N -3.10 -0.19 -3.64 5.30 1.44 -1.08 -4.50 115.22 109.44 1zrr n HIS 96 Ca 0.07 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.72 1zrr n HIS 96 Cb 0.56 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.60 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 -2.27 0.00 0.19 0.61 -1.32 -1.23 -2.50 115.64 109.11 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 0.14 -1.00 -2.21 0.00 0.00 174.62 171.55 1zrr s HIS 98 N 0.90 3.12 -1.38 9.09 0.09 -1.26 -3.43 115.29 122.42 1zrr s HIS 98 Ca -0.04 -0.05 0.27 0.00 -0.00 0.00 0.00 55.06 55.24 1zrr s HIS 98 Cb -0.04 -1.48 1.32 0.00 -0.00 0.00 0.00 32.58 32.38 1zrr s HIS 98 CO -0.11 0.52 1.90 0.41 -0.00 0.00 0.00 174.74 177.45 1zrr n GLY 99 N -0.52 -1.19 3.56 -2.22 0.00 -1.26 -1.75 105.19 101.80 1zrr n GLY 99 Ca -0.08 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1zrr n GLY 99 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1zrr s GLU 100 N -2.62 1.85 0.33 1.61 -1.05 -1.26 -4.77 118.70 112.79 1zrr s GLU 100 Ca 0.24 -2.04 -0.27 0.00 -0.15 0.00 0.00 54.97 52.75 1zrr s GLU 100 Cb 0.18 -1.35 -0.09 0.00 -0.44 0.00 0.00 34.13 32.43 1zrr s GLU 100 CO 0.41 -0.10 1.05 -0.51 0.95 0.00 0.00 175.26 177.06 1zrr s ASP 101 N -3.63 7.10 -0.71 0.83 1.01 -1.26 -3.91 116.67 116.10 1zrr s ASP 101 Ca 0.35 2.10 -0.12 0.00 0.71 0.00 0.00 52.55 55.59 1zrr s ASP 101 Cb 0.10 -2.60 0.19 0.00 1.01 0.00 0.00 42.92 41.61 1zrr s ASP 101 CO 0.17 -0.25 0.63 -1.61 0.21 0.00 0.00 175.17 174.32 1zrr s GLU 102 N -1.91 3.22 -0.13 8.23 2.02 -0.95 -4.95 118.70 124.23 1zrr s GLU 102 Ca 0.50 -2.29 -0.20 0.00 0.02 0.00 0.00 54.97 53.00 1zrr s GLU 102 Cb -0.26 -4.24 -0.04 0.00 0.10 0.00 0.00 34.13 29.69 1zrr s GLU 102 CO 0.33 -1.27 0.58 0.08 0.02 0.00 0.00 175.26 175.00 1zrr s VAL 103 N 0.47 5.10 -0.10 2.63 1.01 -1.26 -2.97 120.40 125.29 1zrr s VAL 103 Ca 0.14 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1zrr s VAL 103 Cb -0.17 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1zrr s VAL 103 CO -0.05 0.25 -0.08 -0.60 0.00 0.00 0.00 175.10 174.62 1zrr s ARG 104 N 1.03 1.43 -0.19 2.72 3.00 -1.16 -4.43 118.95 121.35 1zrr s ARG 104 Ca 0.30 -0.24 -0.09 0.00 -1.00 0.00 0.00 55.73 54.70 1zrr s ARG 104 Cb -0.16 -1.44 -0.05 0.00 0.00 0.00 0.00 34.95 33.30 1zrr s ARG 104 CO 0.13 -0.20 0.11 0.12 0.00 0.00 0.00 175.30 175.46 1zrr s PHE 105 N 1.48 3.39 -0.07 5.12 5.36 -0.90 -2.77 117.98 129.59 1zrr s PHE 105 Ca 0.00 0.29 -0.22 0.00 -0.96 0.00 0.00 56.93 56.04 1zrr s PHE 105 Cb -0.13 -2.12 -0.04 0.00 -0.34 0.00 0.00 43.02 40.39 1zrr s PHE 105 CO -0.05 0.30 0.65 0.12 -1.46 0.00 0.00 175.22 174.78 1zrr s PHE 106 N 0.23 3.57 -0.09 10.12 5.99 -1.26 -0.31 117.98 136.24 1zrr s PHE 106 Ca 0.08 1.17 0.08 0.00 0.00 0.00 0.00 56.93 58.25 1zrr s PHE 106 Cb -0.11 -2.74 -0.11 0.00 0.00 0.00 0.00 43.02 40.05 1zrr s PHE 106 CO -0.01 0.12 0.02 0.28 -0.00 0.00 0.00 175.22 175.63 1zrr n VAL 107 N 3.70 0.64 -3.52 3.12 0.31 -1.01 -4.57 118.33 117.01 1zrr n VAL 107 Ca -0.03 -0.38 -0.16 0.00 -0.01 0.00 0.00 64.34 63.76 1zrr n VAL 107 Cb 0.51 -0.77 -0.05 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.23 0.98 0.00 5.55 2.12 -0.47 -4.89 118.70 119.77 1zrr s GLU 108 Ca -0.06 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.41 1zrr s GLU 108 Cb 0.03 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.88 1zrr s GLU 108 CO 0.37 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1zrr n GLY 109 N 0.69 -1.10 3.46 -1.50 0.00 -1.26 -2.32 105.19 103.15 1zrr n GLY 109 Ca -0.17 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1zrr n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrr s ALA 110 N -2.52 0.35 0.00 4.61 0.00 -1.26 -4.72 121.76 118.22 1zrr s ALA 110 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1zrr s ALA 110 Cb 0.00 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.30 1zrr s ALA 110 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1zrr n GLY 111 N -0.38 1.62 3.39 0.00 0.00 -1.26 -5.06 105.19 103.49 1zrr n GLY 111 Ca -0.00 -0.53 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 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 5.39 -0.11 0.99 2.34 -1.26 -4.46 118.68 121.57 1zrr s LEU 112 Ca 0.00 -1.67 -0.22 0.00 0.06 0.00 0.00 54.13 52.30 1zrr s LEU 112 Cb 0.00 -2.32 -0.03 0.00 -0.56 0.00 0.00 46.19 43.28 1zrr s LEU 112 CO 0.00 -1.07 0.66 0.12 -1.06 0.00 0.00 176.35 175.00 1zrr s PHE 113 N 2.52 3.51 0.01 3.48 5.36 -1.17 -4.84 117.98 126.84 1zrr s PHE 113 Ca 0.18 1.12 -0.30 0.00 -0.96 0.00 0.00 56.93 56.97 1zrr s PHE 113 Cb -0.18 -2.78 -0.03 0.00 -0.34 0.00 0.00 43.02 39.68 1zrr s PHE 113 CO 0.02 0.01 1.02 0.00 -1.46 0.00 0.00 175.22 174.81 1zrr s LEU 115 N 1.03 2.66 -0.27 0.00 1.98 1.21 -4.32 118.68 120.96 1zrr s LEU 115 Ca 0.53 -0.35 -0.02 0.00 -2.89 0.00 0.00 54.13 51.40 1zrr s LEU 115 Cb -0.23 -1.60 0.04 0.00 0.66 0.00 0.00 46.19 45.06 1zrr s LEU 115 CO 0.28 0.16 -0.03 -2.28 -1.89 0.00 0.00 176.35 172.59 1zrr s HIS 116 N 0.40 3.16 -0.23 5.38 5.65 -1.09 0.21 115.29 128.77 1zrr s HIS 116 Ca -0.11 -1.67 0.02 0.00 0.25 0.00 0.00 55.06 53.55 1zrr s HIS 116 Cb -0.16 -2.09 0.05 0.00 -1.18 0.00 0.00 32.58 29.20 1zrr s HIS 116 CO 0.05 -0.76 -0.11 -1.50 -0.65 0.00 0.00 174.74 171.78 1zrr s ILE 117 N 1.30 1.89 0.00 0.89 2.07 -1.19 -2.85 121.20 123.31 1zrr s ILE 117 Ca -0.02 -1.32 0.00 0.00 -1.41 0.00 0.00 60.65 57.90 1zrr s ILE 117 Cb -0.18 -1.99 0.00 0.00 0.13 0.00 0.00 42.46 40.42 1zrr s ILE 117 CO -0.03 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 1zrr n GLY 118 N 4.57 1.58 2.78 1.50 0.00 -1.26 -3.80 105.19 110.55 1zrr n GLY 118 Ca -0.14 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 7.01 3.86 -3.72 1.61 5.68 -1.26 -4.95 116.55 124.79 1zrr n ASP 119 Ca 0.00 -3.30 -0.05 0.00 -0.50 0.00 0.00 54.79 50.94 1zrr n ASP 119 Cb 0.00 -0.83 -0.01 0.00 -1.14 0.00 0.00 41.12 39.13 1zrr n ASP 119 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1zrr s GLU 120 N -1.95 1.17 -0.02 0.11 -1.05 -1.25 -4.80 118.70 110.92 1zrr s GLU 120 Ca 0.32 -0.62 0.06 0.00 -0.15 0.00 0.00 54.97 54.57 1zrr s GLU 120 Cb 0.03 0.42 -0.01 0.00 -0.44 0.00 0.00 34.13 34.13 1zrr s GLU 120 CO -0.08 -0.53 -0.19 0.08 0.95 0.00 0.00 175.26 175.49 1zrr s VAL 121 N -3.30 1.50 -0.06 1.83 1.01 -1.10 -3.16 120.40 117.10 1zrr s VAL 121 Ca 0.11 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1zrr s VAL 121 Cb -0.02 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1zrr s VAL 121 CO 0.01 0.42 -0.14 -0.36 0.00 0.00 0.00 175.10 175.03 1zrr s PHE 122 N -0.34 1.58 -0.15 5.22 0.40 0.56 -2.98 117.98 122.26 1zrr s PHE 122 Ca 0.05 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 1zrr s PHE 122 Cb -0.08 -1.12 0.03 0.00 0.51 0.00 0.00 43.02 42.35 1zrr s PHE 122 CO -0.00 -0.26 -0.11 -0.65 0.70 0.00 0.00 175.22 174.90 1zrr s GLN 123 N 0.50 1.93 -0.11 0.44 -0.21 0.25 0.38 119.66 122.84 1zrr s GLN 123 Ca -0.13 -0.51 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 1zrr s GLN 123 Cb -0.15 -2.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.83 1zrr s GLN 123 CO 0.04 -0.30 -0.06 0.08 -2.12 0.00 0.00 175.29 172.93 1zrr s VAL 124 N 1.55 3.74 -0.39 1.09 1.01 -1.20 0.90 120.40 127.10 1zrr s VAL 124 Ca 0.03 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1zrr s VAL 124 Cb -0.14 -2.57 0.13 0.00 0.00 0.00 0.00 36.38 33.81 1zrr s VAL 124 CO -0.09 0.56 0.21 -1.48 0.00 0.00 0.00 175.10 174.30 1zrr s LEU 125 N -0.30 2.01 -0.28 3.92 2.34 -1.17 -3.06 118.68 122.14 1zrr s LEU 125 Ca 0.04 -2.36 -0.20 0.00 0.06 0.00 0.00 54.13 51.67 1zrr s LEU 125 Cb -0.13 -0.78 0.11 0.00 -0.56 0.00 0.00 46.19 44.83 1zrr s LEU 125 CO 0.02 -0.30 0.86 0.00 -1.06 0.00 0.00 176.35 175.88 1zrr s GLU 127 N 1.00 2.88 0.25 0.00 -1.05 -1.26 -4.85 118.70 115.66 1zrr s GLU 127 Ca -0.05 -2.24 0.10 0.00 -0.15 0.00 0.00 54.97 52.63 1zrr s GLU 127 Cb -0.05 -4.03 -0.04 0.00 -0.44 0.00 0.00 34.13 29.57 1zrr s GLU 127 CO -0.12 -1.22 -0.08 0.15 0.95 0.00 0.00 175.26 174.94 1zrr s LYS 128 N 0.52 2.05 0.00 -4.83 1.02 -1.26 -4.96 119.74 112.28 1zrr s LYS 128 Ca 0.13 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1zrr s LYS 128 Cb -0.19 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1zrr s LYS 128 CO -0.04 0.37 0.61 0.09 -0.92 0.00 0.00 175.35 175.46 1zrr n ASN 129 N -0.63 0.00 -4.79 2.83 3.02 -1.26 -4.62 115.26 109.81 1zrr n ASN 129 Ca -0.07 0.14 -0.33 0.00 -0.03 0.00 0.00 54.58 54.29 1zrr n ASN 129 Cb 0.59 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1zrr n ASN 129 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1zrr s ASP 130 N -2.22 5.79 0.29 6.41 3.84 -1.26 -3.99 116.67 125.53 1zrr s ASP 130 Ca 0.00 1.94 0.10 0.00 -0.00 0.00 0.00 52.55 54.60 1zrr s ASP 130 Cb 0.00 -2.55 -0.05 0.00 -1.38 0.00 0.00 42.92 38.94 1zrr s ASP 130 CO 0.00 -1.16 -0.09 -1.48 -0.00 0.00 0.00 175.17 172.43 1zrr s LEU 131 N -4.19 2.85 -0.06 2.11 0.05 -1.22 -4.03 118.68 114.19 1zrr s LEU 131 Ca 0.67 -0.93 0.01 0.00 0.05 0.00 0.00 54.13 53.92 1zrr s LEU 131 Cb -0.18 -1.32 0.02 0.00 -2.05 0.00 0.00 46.19 42.66 1zrr s LEU 131 CO 0.32 -0.05 -0.05 -0.51 -0.55 0.00 0.00 176.35 175.51 1zrr s ILE 132 N -2.47 0.66 -0.03 1.48 2.07 -1.11 -3.90 121.20 117.90 1zrr s ILE 132 Ca 0.32 -0.15 0.07 0.00 -1.41 0.00 0.00 60.65 59.48 1zrr s ILE 132 Cb -0.04 -0.69 -0.01 0.00 0.13 0.00 0.00 42.46 41.85 1zrr s ILE 132 CO 0.17 0.27 -0.23 -0.55 -1.91 0.00 0.00 174.94 172.70 1zrr s SER 133 N 1.20 2.74 0.04 4.50 0.15 -1.26 -2.99 113.70 118.09 1zrr s SER 133 Ca -0.06 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.17 1zrr s SER 133 Cb -0.14 -0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 1zrr s SER 133 CO -0.02 0.26 0.10 0.68 1.20 0.00 0.00 173.24 175.47 1zrr s VAL 134 N -0.40 4.75 0.73 4.45 -7.23 -1.16 -2.95 120.40 118.59 1zrr s VAL 134 Ca 0.05 -0.55 -0.13 0.00 -1.81 0.00 0.00 61.98 59.54 1zrr s VAL 134 Cb -0.10 -3.24 0.04 0.00 0.56 0.00 0.00 36.38 33.64 1zrr s VAL 134 CO 0.00 0.23 1.13 -2.16 -0.31 0.00 0.00 175.10 174.00 1zrr s PRO 135 N -2.10 2.30 0.29 4.82 0.04 -1.26 -2.25 135.00 136.84 1zrr s PRO 135 Ca 0.27 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 1zrr s PRO 135 Cb -0.12 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1zrr s PRO 135 CO 0.19 -1.65 1.17 0.00 0.04 0.00 0.00 177.00 176.75 1zrr s ALA 136 N -2.42 3.44 0.00 8.56 0.00 -1.25 -3.05 121.76 127.04 1zrr s ALA 136 Ca 0.67 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1zrr s ALA 136 Cb -0.22 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1zrr s ALA 136 CO 0.48 -0.33 0.00 0.72 0.00 0.00 0.00 175.76 176.63 1zrr n HIS 137 N 1.13 0.00 -4.06 0.00 8.25 -0.72 -4.94 115.22 114.88 1zrr n HIS 137 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1zrr n HIS 137 Cb 0.44 -0.10 -0.12 0.00 1.12 0.00 0.00 29.99 31.33 1zrr n HIS 137 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1zrr s THR 138 N -2.00 4.26 0.25 1.59 -1.32 -1.17 -4.92 115.64 112.33 1zrr s THR 138 Ca 0.00 -0.21 -0.30 0.00 -1.21 0.00 0.00 61.69 59.97 1zrr s THR 138 Cb 0.00 -2.93 -0.10 0.00 -1.51 0.00 0.00 72.50 67.96 1zrr s THR 138 CO 0.00 0.43 1.51 -2.16 -2.21 0.00 0.00 174.62 172.20 1zrr s PRO 139 N 0.80 4.21 -0.09 7.08 0.04 -1.13 -4.63 135.00 141.29 1zrr s PRO 139 Ca 0.02 2.40 -0.32 0.00 0.04 0.00 0.00 61.00 63.14 1zrr s PRO 139 Cb -0.14 -3.09 0.12 0.00 0.04 0.00 0.00 34.50 31.43 1zrr s PRO 139 CO 0.02 -0.52 1.11 -3.38 0.04 0.00 0.00 177.00 174.27 1zrr s HIS 140 N 0.22 -0.18 0.00 0.56 -3.43 -1.04 -2.67 115.29 108.75 1zrr s HIS 140 Ca 0.63 0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.97 1zrr s HIS 140 Cb -0.44 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 1zrr s HIS 140 CO 0.42 -0.36 0.00 -2.67 -2.00 0.00 0.00 174.74 170.13 1zrr n TRP 141 N -0.22 0.00 -3.57 0.38 2.14 -1.26 -2.65 117.44 112.27 1zrr n TRP 141 Ca -0.04 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.55 1zrr n TRP 141 Cb 0.60 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.04 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 1.47 -0.20 -0.17 -2.67 5.36 -1.24 -4.95 117.98 115.57 1zrr s PHE 142 Ca 0.00 0.40 -0.15 0.00 -0.96 0.00 0.00 56.93 56.21 1zrr s PHE 142 Cb 0.00 0.12 0.05 0.00 -0.34 0.00 0.00 43.02 42.85 1zrr s PHE 142 CO 0.00 -0.10 0.46 0.16 -1.46 0.00 0.00 175.22 174.28 1zrr s ASP 143 N 1.33 -0.49 -0.19 6.13 -4.77 -1.26 -3.97 116.67 113.44 1zrr s ASP 143 Ca -0.07 0.93 0.16 0.00 -3.30 0.00 0.00 52.55 50.27 1zrr s ASP 143 Cb -0.02 0.93 0.48 0.00 -1.09 0.00 0.00 42.92 43.21 1zrr s ASP 143 CO -0.12 -0.16 1.38 0.23 0.70 0.00 0.00 175.17 177.19 1zrr n MET 144 N 3.02 2.41 0.00 2.11 2.81 -1.26 -4.88 117.12 121.34 1zrr n MET 144 Ca -0.15 -2.86 0.00 0.00 -1.81 0.00 0.00 57.70 52.89 1zrr n MET 144 Cb 0.57 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1zrr n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1zrr n GLY 145 N -0.80 0.00 3.61 3.03 0.00 -1.26 -3.10 105.19 106.67 1zrr n GLY 145 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 6.66 -0.23 1.61 0.01 -1.25 -4.84 113.70 115.65 1zrr s SER 146 Ca 0.00 0.66 -0.02 0.00 1.31 0.00 0.00 55.95 57.90 1zrr s SER 146 Cb 0.00 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.84 1zrr s SER 146 CO 0.00 -0.61 -0.08 -1.61 0.41 0.00 0.00 173.24 171.36 1zrr s GLU 147 N 2.94 2.97 -0.45 12.44 8.01 -1.18 -4.99 118.70 138.45 1zrr s GLU 147 Ca 0.32 -0.88 0.04 0.00 0.01 0.00 0.00 54.97 54.46 1zrr s GLU 147 Cb -0.14 -2.93 0.59 0.00 -4.31 0.00 0.00 34.13 27.34 1zrr s GLU 147 CO 0.12 -0.33 1.82 -0.35 0.01 0.00 0.00 175.26 176.53 1zrr n PRO 148 N 4.69 2.28 -1.31 0.39 -0.04 -1.26 -4.62 135.00 135.13 1zrr n PRO 148 Ca -0.17 -3.14 0.00 0.00 -0.04 0.00 0.00 63.50 60.15 1zrr n PRO 148 Cb 0.48 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1zrr n PRO 148 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1zrr n ASN 149 N -1.09 -1.75 -4.69 3.54 6.94 -1.26 -4.19 115.26 112.76 1zrr n ASN 149 Ca 0.54 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.93 1zrr n ASN 149 Cb 1.36 -0.60 0.06 0.00 -2.36 0.00 0.00 39.78 38.24 1zrr n ASN 149 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1zrr n PHE 150 N -1.15 -2.37 -4.10 -2.53 -1.74 -1.26 -4.84 117.46 99.47 1zrr n PHE 150 Ca 0.00 -1.93 -0.18 0.00 -0.56 0.00 0.00 57.45 54.77 1zrr n PHE 150 Cb 0.44 -0.51 -0.16 0.00 1.52 0.00 0.00 39.48 40.77 1zrr n PHE 150 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1zrr s THR 151 N -2.31 0.40 0.07 1.97 2.01 -0.98 -3.85 115.64 112.96 1zrr s THR 151 Ca 0.56 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.51 1zrr s THR 151 Cb -0.04 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1zrr s THR 151 CO 0.36 0.18 -0.08 0.00 -0.69 0.00 0.00 174.62 174.38 1zrr s ALA 152 N 0.74 0.84 -0.15 7.40 0.00 -1.23 -1.36 121.76 128.00 1zrr s ALA 152 Ca -0.09 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1zrr s ALA 152 Cb -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1zrr s ALA 152 CO -0.00 -0.07 -0.06 0.42 0.00 0.00 0.00 175.76 176.05 1zrr s ILE 153 N -2.23 3.70 0.22 0.00 1.01 0.58 -1.00 121.20 123.47 1zrr s ILE 153 Ca -0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1zrr s ILE 153 Cb -0.04 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 1zrr s ILE 153 CO -0.01 0.50 0.25 -0.13 0.00 0.00 0.00 174.94 175.55 1zrr s ARG 154 N 0.40 1.32 -0.01 2.79 0.52 -0.91 -2.11 118.95 120.96 1zrr s ARG 154 Ca -0.05 -1.51 -0.02 0.00 -0.52 0.00 0.00 55.73 53.63 1zrr s ARG 154 Cb -0.15 0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 1zrr s ARG 154 CO 0.03 -0.48 0.15 0.42 0.02 0.00 0.00 175.30 175.45 1zrr s ILE 155 N -4.10 5.22 -0.29 1.52 1.09 -1.26 -2.77 121.20 120.60 1zrr s ILE 155 Ca 0.33 -0.23 -0.15 0.00 -1.10 0.00 0.00 60.65 59.51 1zrr s ILE 155 Cb 0.04 -3.42 -0.03 0.00 -1.06 0.00 0.00 42.46 37.99 1zrr s ILE 155 CO 0.11 0.34 0.36 -0.36 -0.10 0.00 0.00 174.94 175.29 1zrr s PHE 156 N -1.28 3.23 0.13 3.97 2.99 0.22 -4.89 117.98 122.36 1zrr s PHE 156 Ca 0.26 0.27 0.02 0.00 0.00 0.00 0.00 56.93 57.48 1zrr s PHE 156 Cb -0.12 -2.59 -0.04 0.00 0.00 0.00 0.00 43.02 40.26 1zrr s PHE 156 CO 0.17 -0.28 -0.05 0.16 -0.00 0.00 0.00 175.22 175.22 1zrr s ASP 157 N 1.68 1.25 0.26 1.36 3.84 -1.26 -2.65 116.67 121.15 1zrr s ASP 157 Ca 0.14 -1.07 0.00 0.00 -0.00 0.00 0.00 52.55 51.62 1zrr s ASP 157 Cb -0.16 0.09 -0.04 0.00 -1.38 0.00 0.00 42.92 41.43 1zrr s ASP 157 CO 0.11 -0.48 0.45 0.54 -0.00 0.00 0.00 175.17 175.78 1zrr s ASN 158 N -3.11 6.35 0.01 2.11 2.20 -1.26 -5.03 114.94 116.21 1zrr s ASN 158 Ca 0.17 0.40 -0.25 0.00 -0.94 0.00 0.00 52.86 52.24 1zrr s ASN 158 Cb 0.05 -2.01 -0.17 0.00 -2.00 0.00 0.00 41.25 37.13 1zrr s ASN 158 CO -0.01 -0.14 1.25 1.55 -2.94 0.00 0.00 177.10 176.81 1zrr h PRO 159 N 1.47 -0.35 0.00 3.55 0.13 -2.02 -2.84 132.00 131.94 1zrr h PRO 159 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1zrr h PRO 159 Cb 1.20 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1zrr h PRO 159 CO 0.65 -0.03 0.68 0.93 -0.23 0.00 0.00 178.00 180.00 1zrr h GLU 160 N -0.71 0.00 0.00 0.86 5.08 -2.00 0.64 114.58 118.45 1zrr h GLU 160 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1zrr h GLU 160 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1zrr h GLU 160 CO 0.06 0.00 -0.00 0.78 -1.00 0.00 0.00 179.01 178.85 1zrr h GLY 161 N 0.00 -0.00 -2.33 -3.84 0.00 -1.91 -3.47 103.07 91.52 1zrr h GLY 161 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1zrr h GLY 161 CO 0.00 -0.00 -0.34 0.66 0.00 0.00 0.00 176.54 176.86 1zrr s TRP 162 N -2.27 2.78 0.11 5.60 1.48 0.22 -4.73 118.94 122.14 1zrr s TRP 162 Ca -0.17 -0.43 -0.03 0.00 -1.06 0.00 0.00 56.10 54.40 1zrr s TRP 162 Cb -0.03 -2.20 -0.05 0.00 -1.16 0.00 0.00 33.47 30.03 1zrr s TRP 162 CO 0.63 -0.19 0.32 0.42 -4.06 0.00 0.00 176.95 174.07 1zrr s ILE 163 N -2.40 5.24 0.00 0.66 1.01 -1.22 -4.80 121.20 119.68 1zrr s ILE 163 Ca 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1zrr s ILE 163 Cb -0.06 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1zrr s ILE 163 CO 0.30 0.08 0.00 0.00 0.00 0.00 0.00 174.94 175.32 1zrr n ALA 164 N 0.18 0.00 -2.43 9.38 0.00 -1.26 -3.89 120.51 122.50 1zrr n ALA 164 Ca -0.03 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 1zrr n ALA 164 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.81 1.88 -0.24 0.00 -0.21 -1.26 -3.55 119.66 115.47 1zrr s GLN 165 Ca 0.00 -1.09 -0.01 0.00 0.02 0.00 0.00 55.36 54.28 1zrr s GLN 165 Cb 0.00 -2.09 -0.15 0.00 1.00 0.00 0.00 33.01 31.77 1zrr s GLN 165 CO 0.00 0.51 -0.23 0.34 -2.12 0.00 0.00 175.29 173.79 1zrr n PHE 166 N 1.41 0.00 -0.07 0.91 7.35 -1.26 -4.69 117.46 121.11 1zrr n PHE 166 Ca -0.16 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.45 1zrr n PHE 166 Cb 0.52 -0.92 -0.11 0.00 0.35 0.00 0.00 39.48 39.33 1zrr n PHE 166 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1zrr n THR 167 N -3.36 0.95 0.00 -2.13 -2.24 -1.26 -5.01 114.28 101.23 1zrr n THR 167 Ca -0.44 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 1zrr n THR 167 Cb 0.94 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 2.21 0.20 3.81 3.38 0.00 -1.26 -5.07 105.19 108.46 1zrr n GLY 168 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.06 7.11 -0.63 1.61 1.01 -1.26 -5.03 116.67 117.42 1zrr s ASP 169 Ca 0.00 1.59 -0.03 0.00 0.71 0.00 0.00 52.55 54.82 1zrr s ASP 169 Cb 0.00 -2.49 0.16 0.00 1.01 0.00 0.00 42.92 41.60 1zrr s ASP 169 CO 0.00 -0.09 0.44 -1.81 0.21 0.00 0.00 175.17 173.92 1zrr s ASP 170 N -1.80 5.26 0.31 0.27 -0.00 -1.26 -4.70 116.67 114.74 1zrr s ASP 170 Ca 0.50 -2.84 0.25 0.00 -0.00 0.00 0.00 52.55 50.46 1zrr s ASP 170 Cb -0.15 -1.86 0.68 0.00 -0.00 0.00 0.00 42.92 41.59 1zrr s ASP 170 CO 0.20 -0.37 1.72 0.16 -0.00 0.00 0.00 175.17 176.88 1zrr h ILE 171 N 5.28 0.00 -0.85 0.77 3.07 -1.95 -3.21 117.51 120.62 1zrr h ILE 171 Ca -0.02 -0.65 0.05 0.00 1.55 0.00 0.00 64.86 65.80 1zrr h ILE 171 Cb 0.95 1.63 -0.05 0.00 -0.27 0.00 0.00 36.82 39.08 1zrr h ILE 171 CO 0.71 0.00 0.56 0.00 -1.05 0.00 0.00 178.15 178.37 1zrr h ALA 172 N 2.31 1.53 0.00 0.16 0.00 -1.89 0.05 119.26 121.42 1zrr h ALA 172 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zrr h ALA 172 Cb 0.80 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1zrr h ALA 172 CO 0.00 0.35 0.07 0.45 0.00 0.00 0.00 179.25 180.13 1zrr n SER 173 N -4.47 0.00 0.04 0.00 2.88 -1.21 -1.38 113.62 109.47 1zrr n SER 173 Ca 0.12 0.10 -0.20 0.00 -1.33 0.00 0.00 58.87 57.57 1zrr n SER 173 Cb 0.17 -0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 63.41 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 1.16 0.06 -0.26 -1.46 0.00 -1.24 -3.35 119.26 114.17 1zrr h ALA 174 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 1zrr h ALA 174 Cb 0.15 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1zrr h ALA 174 CO 0.00 0.53 -0.10 0.66 0.00 0.00 0.00 179.25 180.34 1zrr n TYR 175 N -4.01 0.84 0.30 0.00 4.01 -0.48 -4.82 117.16 113.00 1zrr n TYR 175 Ca -0.12 -1.38 0.16 0.00 -0.16 0.00 0.00 57.90 56.41 1zrr n TYR 175 Cb 0.82 -0.40 0.94 0.00 -0.31 0.00 0.00 39.34 40.39 1zrr n TYR 175 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1zrr h PRO 176 N 1.07 0.00 -5.76 -0.72 0.13 -1.69 -3.41 132.00 121.62 1zrr h PRO 176 Ca 0.13 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.68 1zrr h PRO 176 Cb 1.48 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.53 1zrr h PRO 176 CO 0.28 0.02 0.06 0.50 -0.23 0.00 0.00 178.00 178.63 1zrr s ARG 177 N -4.47 4.29 -0.20 0.86 3.52 -1.26 -4.38 118.95 117.31 1zrr s ARG 177 Ca -0.05 0.64 -0.22 0.00 -0.13 0.00 0.00 55.73 55.98 1zrr s ARG 177 Cb 0.14 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1zrr s ARG 177 CO 0.53 -0.09 0.70 -1.17 -0.81 0.00 0.00 175.30 174.46 1zrr s LEU 178 N 1.41 4.13 0.00 -0.88 2.96 -1.26 -4.92 118.68 120.13 1zrr s LEU 178 Ca 0.30 0.92 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 1zrr s LEU 178 Cb -0.16 -3.00 0.00 0.00 0.50 0.00 0.00 46.19 43.53 1zrr s LEU 178 CO 0.12 -0.34 0.00 0.00 -1.32 0.00 0.00 176.35 174.81