#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u76 s PHE 2 N 0.00 3.68 -0.30 1.12 5.36 -0.66 -3.25 117.98 123.93 1u76 s PHE 2 Ca 0.00 1.10 -0.05 0.00 -0.96 0.00 0.00 56.93 57.02 1u76 s PHE 2 Cb 0.00 -2.39 0.17 0.00 -0.34 0.00 0.00 43.02 40.46 1u76 s PHE 2 CO 0.00 0.51 0.65 -2.00 -1.46 0.00 0.00 175.22 172.92 1u76 s GLU 3 N -1.60 0.54 -0.03 10.12 2.12 0.18 -0.34 118.70 129.69 1u76 s GLU 3 Ca 0.33 1.11 0.04 0.00 0.36 0.00 0.00 54.97 56.81 1u76 s GLU 3 Cb -0.16 0.64 -0.00 0.00 0.26 0.00 0.00 34.13 34.86 1u76 s GLU 3 CO 0.18 -0.45 -0.14 0.00 -0.54 0.00 0.00 175.26 174.32 1u76 s ALA 4 N 2.86 1.24 -0.23 6.30 0.00 0.14 -1.46 121.76 130.60 1u76 s ALA 4 Ca 0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 1u76 s ALA 4 Cb -0.13 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1u76 s ALA 4 CO -0.20 0.23 -0.06 0.50 0.00 0.00 0.00 175.76 176.23 1u76 s ARG 5 N 0.04 3.09 -0.28 0.00 3.52 0.12 -1.16 118.95 124.29 1u76 s ARG 5 Ca -0.02 -0.81 -0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1u76 s ARG 5 Cb -0.10 -2.98 0.05 0.00 -1.56 0.00 0.00 34.95 30.37 1u76 s ARG 5 CO 0.01 -0.30 -0.04 -1.17 -0.81 0.00 0.00 175.30 172.99 1u76 s LEU 6 N 1.40 3.69 0.14 -0.88 2.96 0.21 -1.08 118.68 125.12 1u76 s LEU 6 Ca 0.03 -1.29 -0.12 0.00 -0.22 0.00 0.00 54.13 52.54 1u76 s LEU 6 Cb -0.15 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1u76 s LEU 6 CO -0.04 -0.23 1.48 0.58 -1.32 0.00 0.00 176.35 176.82 1u76 h VAL 7 N 6.55 1.28 -1.16 1.68 2.07 -1.90 -1.41 116.25 123.36 1u76 h VAL 7 Ca -0.21 -1.50 -0.69 0.00 0.82 0.00 0.00 66.70 65.12 1u76 h VAL 7 Cb 1.06 1.37 -0.14 0.00 -1.52 0.00 0.00 31.29 32.06 1u76 h VAL 7 CO 0.51 0.50 1.94 0.00 0.02 0.00 0.00 177.57 180.54 1u76 n GLN 8 N -4.11 4.14 0.32 1.57 6.02 -1.26 -4.43 117.38 119.62 1u76 n GLN 8 Ca -0.02 -3.24 0.09 0.00 -0.01 0.00 0.00 57.00 53.82 1u76 n GLN 8 Cb 0.52 -2.52 0.44 0.00 1.02 0.00 0.00 30.24 29.70 1u76 n GLN 8 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1u76 h GLY 9 N 5.18 0.00 2.00 1.08 0.00 -1.62 0.14 103.07 109.85 1u76 h GLY 9 Ca 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 1u76 h GLY 9 CO 1.34 0.00 -0.01 1.48 0.00 0.00 0.00 176.54 179.35 1u76 h SER 10 N 0.00 0.00 -0.43 0.19 4.64 -1.83 0.01 113.55 116.13 1u76 h SER 10 Ca 0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1u76 h SER 10 Cb 1.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 1u76 h SER 10 CO -0.00 0.01 0.10 0.40 -0.87 0.00 0.00 176.83 176.47 1u76 h ILE 11 N 0.00 1.23 -0.63 0.95 2.04 -1.09 0.82 117.51 120.84 1u76 h ILE 11 Ca -0.00 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 64.96 1u76 h ILE 11 Cb 0.05 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1u76 h ILE 11 CO 0.00 0.29 0.04 0.25 0.00 0.00 0.00 178.15 178.73 1u76 h LEU 12 N 0.56 1.04 -0.13 1.44 5.85 -1.19 -0.66 115.31 122.22 1u76 h LEU 12 Ca 0.13 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1u76 h LEU 12 Cb 0.32 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1u76 h LEU 12 CO 0.00 1.06 0.08 0.11 -0.34 0.00 0.00 178.44 179.36 1u76 h LYS 13 N 0.99 0.17 -0.69 1.25 1.57 -1.11 -1.90 116.57 116.86 1u76 h LYS 13 Ca 0.18 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1u76 h LYS 13 Cb 0.51 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1u76 h LYS 13 CO 0.02 0.15 0.42 0.87 -0.57 0.00 0.00 179.45 180.34 1u76 h LYS 14 N 0.15 0.92 -0.08 3.15 1.57 -0.53 -2.06 116.57 119.69 1u76 h LYS 14 Ca 0.05 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1u76 h LYS 14 Cb 0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1u76 h LYS 14 CO -0.01 0.64 0.04 0.28 -0.57 0.00 0.00 179.45 179.83 1u76 h VAL 15 N 0.94 1.11 -0.14 0.50 2.07 -0.56 -2.42 116.25 117.75 1u76 h VAL 15 Ca 0.25 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1u76 h VAL 15 Cb -0.05 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1u76 h VAL 15 CO -0.05 0.09 -0.27 -0.07 0.02 0.00 0.00 177.57 177.29 1u76 h LEU 16 N 0.02 0.25 -0.98 2.57 4.07 -1.14 -0.81 115.31 119.29 1u76 h LEU 16 Ca 0.03 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1u76 h LEU 16 Cb 0.11 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1u76 h LEU 16 CO -0.00 0.52 0.00 -0.33 -1.08 0.00 0.00 178.44 177.55 1u76 h GLU 17 N 0.23 0.00 0.00 1.13 4.39 -1.16 -0.09 114.58 119.08 1u76 h GLU 17 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1u76 h GLU 17 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1u76 h GLU 17 CO 0.04 0.00 -1.12 0.00 -1.16 0.00 0.00 179.01 176.77 1u76 n ALA 18 N -1.83 4.26 -0.07 3.43 0.00 -0.36 -4.57 120.51 121.38 1u76 n ALA 18 Ca 0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.81 1u76 n ALA 18 Cb 0.20 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 1u76 n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u76 n LEU 19 N -1.66 2.45 -0.31 0.00 4.77 -0.84 -4.72 117.00 116.69 1u76 n LEU 19 Ca 0.03 -0.06 0.17 0.00 -0.03 0.00 0.00 56.01 56.12 1u76 n LEU 19 Cb 0.38 -0.34 0.36 0.00 -2.33 0.00 0.00 43.42 41.49 1u76 n LEU 19 CO 0.43 0.65 1.01 0.07 -1.33 0.00 0.00 177.39 178.22 1u76 h LYS 20 N 0.00 0.25 -0.00 3.23 2.10 -1.21 0.61 116.57 121.56 1u76 h LYS 20 Ca -0.30 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1u76 h LYS 20 Cb 1.50 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 1u76 h LYS 20 CO -0.04 0.17 -0.11 -0.25 -2.00 0.00 0.00 179.45 177.22 1u76 n ASP 21 N -5.15 0.11 -0.08 7.07 8.00 -1.26 -3.75 116.55 121.49 1u76 n ASP 21 Ca 0.26 0.33 -0.10 0.00 0.71 0.00 0.00 54.79 55.98 1u76 n ASP 21 Cb 0.80 -0.33 -0.09 0.00 -0.02 0.00 0.00 41.12 41.47 1u76 n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1u76 n LEU 22 N -1.50 1.69 -4.19 0.64 7.94 0.11 -4.98 117.00 116.71 1u76 n LEU 22 Ca 0.07 -0.05 -0.30 0.00 -1.11 0.00 0.00 56.01 54.61 1u76 n LEU 22 Cb 0.34 -0.21 -0.17 0.00 0.53 0.00 0.00 43.42 43.92 1u76 n LEU 22 CO 0.29 0.60 -0.54 -0.63 -1.11 0.00 0.00 177.39 176.00 1u76 s ILE 23 N -2.35 1.84 -0.16 1.96 1.01 0.19 -3.20 121.20 120.50 1u76 s ILE 23 Ca -0.17 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.44 1u76 s ILE 23 Cb 0.05 -1.59 -0.10 0.00 0.01 0.00 0.00 42.46 40.84 1u76 s ILE 23 CO 0.48 0.51 0.06 0.78 0.00 0.00 0.00 174.94 176.77 1u76 h ASN 24 N 6.58 0.00 -3.25 3.58 2.35 -1.85 -3.38 115.58 119.61 1u76 h ASN 24 Ca -0.25 -0.25 -0.56 0.00 -0.55 0.00 0.00 56.30 54.70 1u76 h ASN 24 Cb 1.21 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 39.23 1u76 h ASN 24 CO 0.47 0.96 -0.82 -1.61 -1.65 0.00 0.00 177.43 174.78 1u76 s GLU 25 N -2.17 1.93 0.34 0.81 2.02 -1.26 -1.01 118.70 119.35 1u76 s GLU 25 Ca -0.17 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.41 1u76 s GLU 25 Cb 0.02 -1.74 -0.05 0.00 0.10 0.00 0.00 34.13 32.47 1u76 s GLU 25 CO 0.34 -0.13 0.08 0.00 0.02 0.00 0.00 175.26 175.58 1u76 s ALA 26 N 1.20 2.43 -0.12 5.21 0.00 0.30 -4.96 121.76 125.83 1u76 s ALA 26 Ca -0.03 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.17 1u76 s ALA 26 Cb -0.14 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 1u76 s ALA 26 CO -0.04 -0.34 -0.21 0.00 0.00 0.00 0.00 175.76 175.18 1u76 s TRP 28 N 0.48 3.26 -0.29 0.00 0.52 -0.38 -4.40 118.94 118.13 1u76 s TRP 28 Ca -0.14 -0.97 -0.25 0.00 0.02 0.00 0.00 56.10 54.76 1u76 s TRP 28 Cb -0.17 -2.61 0.00 0.00 -1.15 0.00 0.00 33.47 29.55 1u76 s TRP 28 CO 0.05 -0.68 0.85 -0.51 0.02 0.00 0.00 176.95 176.68 1u76 s ASP 29 N 1.75 6.76 0.03 2.95 1.01 0.27 -1.46 116.67 127.97 1u76 s ASP 29 Ca 0.03 0.83 0.03 0.00 0.71 0.00 0.00 52.55 54.14 1u76 s ASP 29 Cb -0.20 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1u76 s ASP 29 CO 0.07 -0.64 -0.02 -0.63 0.21 0.00 0.00 175.17 174.16 1u76 s ILE 30 N 3.06 4.00 0.21 0.77 -1.09 0.41 -0.86 121.20 127.69 1u76 s ILE 30 Ca 0.35 -0.76 -0.19 0.00 -2.23 0.00 0.00 60.65 57.82 1u76 s ILE 30 Cb -0.14 -2.81 0.07 0.00 -1.58 0.00 0.00 42.46 38.00 1u76 s ILE 30 CO 0.12 0.30 0.93 -1.54 -1.23 0.00 0.00 174.94 173.52 1u76 n SER 31 N 1.18 -1.74 0.21 3.58 3.41 -1.21 -1.82 113.62 117.24 1u76 n SER 31 Ca -0.14 -1.98 0.15 0.00 -0.26 0.00 0.00 58.87 56.65 1u76 n SER 31 Cb 0.52 2.84 0.64 0.00 -0.26 0.00 0.00 64.21 67.95 1u76 n SER 31 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1u76 h SER 32 N 1.86 0.00 0.10 4.04 4.64 -1.96 -2.52 113.55 119.71 1u76 h SER 32 Ca -0.27 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.78 1u76 h SER 32 Cb 1.14 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1u76 h SER 32 CO 0.35 0.00 -1.10 0.77 -0.87 0.00 0.00 176.83 175.98 1u76 h SER 33 N 0.00 0.84 -2.90 4.97 4.64 -1.97 -3.43 113.55 115.70 1u76 h SER 33 Ca 0.00 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 1u76 h SER 33 Cb 0.34 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1u76 h SER 33 CO 0.00 1.51 0.00 0.61 -0.87 0.00 0.00 176.83 178.08 1u76 n GLY 34 N 1.17 0.55 3.81 -0.77 0.00 -0.95 -0.81 105.19 108.18 1u76 n GLY 34 Ca -0.11 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1u76 n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u76 s VAL 35 N -1.29 4.33 -0.03 1.61 1.01 0.96 -3.34 120.40 123.65 1u76 s VAL 35 Ca 0.00 1.53 -0.15 0.00 0.00 0.00 0.00 61.98 63.36 1u76 s VAL 35 Cb 0.00 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1u76 s VAL 35 CO 0.00 -0.23 0.33 0.21 0.00 0.00 0.00 175.10 175.40 1u76 s ASN 36 N -2.07 -0.23 -0.15 3.32 3.84 -0.04 -0.87 114.94 118.75 1u76 s ASN 36 Ca 0.60 0.18 -0.08 0.00 0.21 0.00 0.00 52.86 53.77 1u76 s ASN 36 Cb -0.11 0.37 0.05 0.00 -0.55 0.00 0.00 41.25 41.01 1u76 s ASN 36 CO 0.15 -0.41 0.36 -0.22 -2.79 0.00 0.00 177.10 174.19 1u76 s LEU 37 N -1.14 0.07 -0.05 3.21 0.20 -0.54 -0.57 118.68 119.86 1u76 s LEU 37 Ca -0.12 0.78 -0.01 0.00 0.69 0.00 0.00 54.13 55.48 1u76 s LEU 37 Cb -0.05 1.16 0.03 0.00 -0.43 0.00 0.00 46.19 46.90 1u76 s LEU 37 CO 0.04 -0.18 0.00 -1.58 -0.29 0.00 0.00 176.35 174.34 1u76 s GLN 38 N 1.33 0.45 -0.21 1.98 0.74 -1.25 0.25 119.66 122.95 1u76 s GLN 38 Ca -0.09 0.11 -0.23 0.00 0.05 0.00 0.00 55.36 55.20 1u76 s GLN 38 Cb -0.09 -0.75 0.06 0.00 1.10 0.00 0.00 33.01 33.34 1u76 s GLN 38 CO -0.11 -0.23 0.63 0.45 -0.55 0.00 0.00 175.29 175.48 1u76 s SER 39 N 1.58 -0.65 0.79 6.67 0.15 -0.58 -4.82 113.70 116.84 1u76 s SER 39 Ca -0.01 1.19 -0.11 0.00 0.70 0.00 0.00 55.95 57.71 1u76 s SER 39 Cb -0.13 1.19 0.06 0.00 -1.71 0.00 0.00 66.02 65.43 1u76 s SER 39 CO -0.03 -0.27 1.09 -0.04 1.20 0.00 0.00 173.24 175.18 1u76 s MET 40 N 0.11 2.16 0.87 5.44 -1.94 -1.26 -0.83 119.30 123.86 1u76 s MET 40 Ca -0.02 1.04 -0.09 0.00 -1.71 0.00 0.00 55.69 54.91 1u76 s MET 40 Cb -0.04 -1.90 0.18 0.00 2.01 0.00 0.00 34.83 35.09 1u76 s MET 40 CO 0.02 -1.67 1.20 0.16 -0.01 0.00 0.00 175.02 174.72 1u76 s ASP 41 N -3.49 3.51 0.08 3.03 -4.77 -0.16 -4.84 116.67 110.02 1u76 s ASP 41 Ca 0.61 -0.10 -0.33 0.00 -3.30 0.00 0.00 52.55 49.42 1u76 s ASP 41 Cb -0.17 -0.02 -0.16 0.00 -1.09 0.00 0.00 42.92 41.48 1u76 s ASP 41 CO 0.56 -2.45 1.51 0.28 0.70 0.00 0.00 175.17 175.77 1u76 h SER 42 N -1.21 -1.29 0.00 2.11 0.02 -1.90 -2.21 113.55 109.07 1u76 h SER 42 Ca -0.40 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1u76 h SER 42 Cb 1.24 0.42 0.00 0.00 0.14 0.00 0.00 62.40 64.20 1u76 h SER 42 CO 0.36 -0.62 0.24 -1.20 -1.14 0.00 0.00 176.83 174.46 1u76 n SER 43 N -5.29 0.37 -3.10 3.07 7.64 -1.26 -4.81 113.62 110.24 1u76 n SER 43 Ca -0.11 0.59 -0.22 0.00 1.01 0.00 0.00 58.87 60.13 1u76 n SER 43 Cb 0.43 -0.56 0.05 0.00 -1.01 0.00 0.00 64.21 63.12 1u76 n SER 43 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1u76 n HIS 44 N -2.07 -2.18 0.20 1.43 8.25 -0.83 -4.87 115.22 115.15 1u76 n HIS 44 Ca -0.01 0.65 0.04 0.00 -0.26 0.00 0.00 57.72 58.14 1u76 n HIS 44 Cb 0.26 -4.58 -0.05 0.00 1.12 0.00 0.00 29.99 26.74 1u76 n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1u76 n VAL 45 N -4.63 0.00 -4.04 1.59 0.31 -1.26 -4.96 118.33 105.34 1u76 n VAL 45 Ca -0.08 -0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 63.89 1u76 n VAL 45 Cb 0.60 0.71 -0.07 0.00 -0.91 0.00 0.00 33.84 34.17 1u76 n VAL 45 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1u76 s SER 46 N -2.21 0.00 -0.03 4.52 1.04 -1.26 -0.92 113.70 114.85 1u76 s SER 46 Ca 0.00 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.41 1u76 s SER 46 Cb 0.05 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1u76 s SER 46 CO 0.31 -1.00 -0.05 -0.22 0.98 0.00 0.00 173.24 173.26 1u76 s LEU 47 N -3.04 1.59 -0.12 2.42 2.96 0.33 -0.99 118.68 121.82 1u76 s LEU 47 Ca 0.25 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1u76 s LEU 47 Cb 0.02 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.30 1u76 s LEU 47 CO 0.08 -0.00 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.37 1u76 s VAL 48 N 0.50 3.86 -0.22 1.68 1.01 -0.01 -0.08 120.40 127.13 1u76 s VAL 48 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1u76 s VAL 48 Cb -0.10 -2.65 0.06 0.00 0.00 0.00 0.00 36.38 33.69 1u76 s VAL 48 CO -0.00 0.54 -0.06 -1.58 0.00 0.00 0.00 175.10 174.00 1u76 s GLN 49 N -0.13 1.61 -0.09 2.72 -0.44 0.11 -1.52 119.66 121.92 1u76 s GLN 49 Ca 0.02 -0.90 -0.02 0.00 -2.50 0.00 0.00 55.36 51.96 1u76 s GLN 49 Cb -0.13 -2.49 -0.03 0.00 -1.64 0.00 0.00 33.01 28.72 1u76 s GLN 49 CO 0.03 -0.56 -0.00 -1.17 0.50 0.00 0.00 175.29 174.08 1u76 s LEU 50 N 1.44 3.54 -0.18 3.68 2.96 0.14 -0.05 118.68 130.21 1u76 s LEU 50 Ca -0.04 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1u76 s LEU 50 Cb -0.18 -1.81 0.06 0.00 0.50 0.00 0.00 46.19 44.75 1u76 s LEU 50 CO -0.07 0.35 0.05 -0.89 -1.32 0.00 0.00 176.35 174.47 1u76 s THR 51 N -0.73 0.37 -0.43 3.68 2.01 -0.09 -1.46 115.64 118.99 1u76 s THR 51 Ca 0.11 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1u76 s THR 51 Cb -0.12 -0.89 0.12 0.00 0.01 0.00 0.00 72.50 71.62 1u76 s THR 51 CO 0.02 -0.19 0.16 -0.76 -0.69 0.00 0.00 174.62 173.16 1u76 s LEU 52 N 1.93 4.55 0.33 4.42 1.43 -0.05 -0.86 118.68 130.44 1u76 s LEU 52 Ca 0.00 -2.60 -0.28 0.00 -1.03 0.00 0.00 54.13 50.22 1u76 s LEU 52 Cb -0.16 -1.64 -0.10 0.00 0.03 0.00 0.00 46.19 44.32 1u76 s LEU 52 CO -0.08 -0.31 1.28 -0.13 0.23 0.00 0.00 176.35 177.34 1u76 s ARG 53 N 0.29 4.35 0.54 1.70 0.52 0.34 -0.02 118.95 126.66 1u76 s ARG 53 Ca 0.14 2.15 0.23 0.00 -0.52 0.00 0.00 55.73 57.73 1u76 s ARG 53 Cb -0.23 -3.04 1.41 0.00 0.52 0.00 0.00 34.95 33.61 1u76 s ARG 53 CO -0.04 -0.17 2.06 0.66 0.02 0.00 0.00 175.30 177.83 1u76 h SER 54 N 3.35 0.00 -0.76 0.23 4.64 -1.26 -1.86 113.55 117.89 1u76 h SER 54 Ca -0.49 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.89 1u76 h SER 54 Cb 1.23 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.26 1u76 h SER 54 CO 0.65 0.00 0.46 -0.33 -0.87 0.00 0.00 176.83 176.74 1u76 h GLU 55 N 0.00 0.82 -0.20 4.77 3.07 -1.88 -1.89 114.58 119.27 1u76 h GLU 55 Ca 0.15 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1u76 h GLU 55 Cb 0.63 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1u76 h GLU 55 CO -0.00 0.54 0.10 0.78 -1.40 0.00 0.00 179.01 179.03 1u76 h GLY 56 N 0.84 0.28 -2.70 -3.84 0.00 -1.31 -3.42 103.07 92.93 1u76 h GLY 56 Ca 0.33 -0.11 -0.49 0.00 0.00 0.00 0.00 47.33 47.06 1u76 h GLY 56 CO -0.17 0.11 0.44 -1.36 0.00 0.00 0.00 176.54 175.56 1u76 s PHE 57 N -5.21 3.09 -2.05 5.60 0.40 -0.71 -4.90 117.98 114.21 1u76 s PHE 57 Ca -0.06 1.60 0.28 0.00 -0.60 0.00 0.00 56.93 58.14 1u76 s PHE 57 Cb 0.17 -3.22 1.60 0.00 0.51 0.00 0.00 43.02 42.08 1u76 s PHE 57 CO 0.70 -0.98 2.04 -0.25 0.70 0.00 0.00 175.22 177.43 1u76 n ASP 58 N -0.30 0.17 -3.03 1.36 8.00 -0.24 -4.55 116.55 117.97 1u76 n ASP 58 Ca 0.06 -1.17 0.05 0.00 0.71 0.00 0.00 54.79 54.44 1u76 n ASP 58 Cb 0.49 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1u76 n ASP 58 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u76 s THR 59 N -1.99 -0.03 0.32 -3.53 2.01 -1.19 -4.92 115.64 106.31 1u76 s THR 59 Ca 0.42 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.49 1u76 s THR 59 Cb 0.19 -0.02 -0.03 0.00 0.01 0.00 0.00 72.50 72.65 1u76 s THR 59 CO 0.32 0.00 0.24 -0.47 -0.69 0.00 0.00 174.62 174.02 1u76 s TYR 60 N 2.74 2.90 -0.30 4.92 5.04 -1.26 0.15 117.35 131.53 1u76 s TYR 60 Ca 0.28 -0.28 -0.18 0.00 -2.44 0.00 0.00 57.07 54.45 1u76 s TYR 60 Cb 0.02 -1.68 0.17 0.00 0.35 0.00 0.00 41.96 40.82 1u76 s TYR 60 CO -0.21 0.28 1.23 0.50 -1.34 0.00 0.00 175.55 176.02 1u76 s ARG 61 N -3.93 0.03 -0.26 4.97 3.52 -0.54 -4.92 118.95 117.83 1u76 s ARG 61 Ca 0.39 0.06 -0.02 0.00 -0.13 0.00 0.00 55.73 56.03 1u76 s ARG 61 Cb -0.06 0.04 0.08 0.00 -1.56 0.00 0.00 34.95 33.45 1u76 s ARG 61 CO 0.25 -0.04 0.06 0.00 -0.81 0.00 0.00 175.30 174.77 1u76 h ASP 63 N 8.15 -0.15 -3.49 0.00 3.32 -1.96 -3.42 116.42 118.87 1u76 h ASP 63 Ca -0.15 -0.24 -0.67 0.00 0.02 0.00 0.00 57.03 55.99 1u76 h ASP 63 Cb 1.06 0.04 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 1u76 h ASP 63 CO 0.41 0.42 -0.68 -0.60 -1.72 0.00 0.00 179.24 177.07 1u76 s ARG 64 N -2.56 3.12 0.10 3.56 3.52 -1.26 -4.84 118.95 120.59 1u76 s ARG 64 Ca -0.08 -0.53 -0.31 0.00 -0.13 0.00 0.00 55.73 54.68 1u76 s ARG 64 Cb -0.00 -2.72 -0.09 0.00 -1.56 0.00 0.00 34.95 30.58 1u76 s ARG 64 CO 0.28 0.50 1.71 -0.80 -0.81 0.00 0.00 175.30 176.18 1u76 s ASN 65 N -0.36 6.54 0.14 -2.12 0.02 -1.26 -4.68 114.94 113.22 1u76 s ASN 65 Ca 0.05 2.59 0.07 0.00 -1.02 0.00 0.00 52.86 54.56 1u76 s ASN 65 Cb -0.12 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.54 1u76 s ASN 65 CO 0.02 -0.92 -0.03 -0.76 0.02 0.00 0.00 177.10 175.43 1u76 s LEU 66 N 2.51 3.27 -0.31 0.60 1.43 -0.75 -4.97 118.68 120.46 1u76 s LEU 66 Ca 0.76 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1u76 s LEU 66 Cb -0.42 -1.98 0.11 0.00 0.03 0.00 0.00 46.19 43.93 1u76 s LEU 66 CO 0.33 0.13 0.13 0.00 0.23 0.00 0.00 176.35 177.17 1u76 s ALA 67 N -1.52 1.22 -0.48 4.21 0.00 -1.26 -0.44 121.76 123.49 1u76 s ALA 67 Ca 0.26 -1.55 -0.14 0.00 0.00 0.00 0.00 51.96 50.53 1u76 s ALA 67 Cb -0.10 -1.56 0.09 0.00 0.00 0.00 0.00 23.12 21.55 1u76 s ALA 67 CO 0.17 -1.72 0.39 -1.64 0.00 0.00 0.00 175.76 172.96 1u76 s MET 68 N 1.66 2.86 -0.50 0.00 -1.94 -0.54 -4.87 119.30 115.97 1u76 s MET 68 Ca 0.11 -1.51 -0.27 0.00 -1.71 0.00 0.00 55.69 52.31 1u76 s MET 68 Cb -0.18 -4.09 -0.03 0.00 2.01 0.00 0.00 34.83 32.55 1u76 s MET 68 CO -0.26 -1.11 1.92 0.20 -0.01 0.00 0.00 175.02 175.77 1u76 s GLY 69 N 2.77 0.31 0.03 -0.03 0.00 -1.23 -1.24 107.32 107.92 1u76 s GLY 69 Ca 0.04 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.55 1u76 s GLY 69 CO 0.04 3.48 0.01 0.14 0.00 0.00 0.00 173.10 176.77 1u76 s VAL 70 N 8.80 4.14 -0.52 1.40 1.01 0.26 -1.58 120.40 133.91 1u76 s VAL 70 Ca 0.76 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 1u76 s VAL 70 Cb -0.17 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.38 1u76 s VAL 70 CO 0.26 0.29 0.67 0.21 0.00 0.00 0.00 175.10 176.53 1u76 s ASN 71 N -1.82 6.24 0.66 3.32 3.04 -1.26 -0.54 114.94 124.57 1u76 s ASN 71 Ca 0.22 -0.87 0.43 0.00 0.04 0.00 0.00 52.86 52.68 1u76 s ASN 71 Cb -0.12 -2.31 2.36 0.00 -1.54 0.00 0.00 41.25 39.64 1u76 s ASN 71 CO 0.13 -0.95 2.35 -0.07 -3.04 0.00 0.00 177.10 175.53 1u76 h LEU 72 N 9.88 0.00 -0.01 3.21 3.38 -1.33 -0.90 115.31 129.54 1u76 h LEU 72 Ca -0.27 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.53 1u76 h LEU 72 Cb 1.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1u76 h LEU 72 CO 0.99 0.00 -0.64 0.74 0.09 0.00 0.00 178.44 179.62 1u76 h THR 73 N 0.00 1.41 -0.36 0.22 2.02 -1.83 -0.86 112.91 113.50 1u76 h THR 73 Ca -0.00 -2.08 -0.13 0.00 0.77 0.00 0.00 66.41 64.98 1u76 h THR 73 Cb 0.02 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1u76 h THR 73 CO 0.00 0.61 -0.26 0.28 0.37 0.00 0.00 175.52 176.52 1u76 h SER 74 N -0.03 0.86 0.13 4.18 0.02 -1.72 -1.16 113.55 115.82 1u76 h SER 74 Ca -0.08 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 60.38 1u76 h SER 74 Cb 1.34 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1u76 h SER 74 CO 0.13 1.12 -0.19 -0.03 -1.14 0.00 0.00 176.83 176.71 1u76 h MET 75 N 0.61 0.14 0.02 3.45 -1.53 -1.24 -0.19 114.93 116.19 1u76 h MET 75 Ca 0.07 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.29 1u76 h MET 75 Cb 0.83 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.87 1u76 h MET 75 CO 0.07 0.33 -0.01 1.03 0.14 0.00 0.00 176.91 178.48 1u76 h SER 76 N 0.13 -0.02 -0.02 1.39 0.87 -0.87 -0.31 113.55 114.72 1u76 h SER 76 Ca 0.02 -0.53 0.03 0.00 -1.23 0.00 0.00 61.79 60.09 1u76 h SER 76 Cb 0.42 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1u76 h SER 76 CO 0.03 0.52 -0.20 0.11 -0.53 0.00 0.00 176.83 176.76 1u76 h LYS 77 N -0.57 -0.30 -0.53 2.24 1.57 -0.97 -1.78 116.57 116.23 1u76 h LYS 77 Ca -0.00 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1u76 h LYS 77 Cb 0.55 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.86 1u76 h LYS 77 CO 0.00 -0.20 0.16 0.82 -0.57 0.00 0.00 179.45 179.66 1u76 h ILE 78 N -0.32 0.77 0.00 1.86 2.04 -1.05 -0.86 117.51 119.95 1u76 h ILE 78 Ca 0.06 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1u76 h ILE 78 Cb 0.40 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1u76 h ILE 78 CO -0.20 0.06 0.00 -0.07 0.00 0.00 0.00 178.15 177.94 1u76 h LEU 79 N 0.32 0.00 0.00 1.44 3.38 -0.24 -0.86 115.31 119.35 1u76 h LEU 79 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1u76 h LEU 79 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1u76 h LEU 79 CO -0.30 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.52 1u76 n LYS 80 N -2.51 0.48 -0.46 1.13 5.02 -0.33 -2.54 118.16 118.96 1u76 n LYS 80 Ca -0.01 0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1u76 n LYS 80 Cb 0.10 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 33.85 1u76 n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u76 s ALA 82 N -1.87 2.54 0.59 0.00 0.00 -1.05 -5.04 121.76 116.92 1u76 s ALA 82 Ca 0.33 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 1u76 s ALA 82 Cb 0.23 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1u76 s ALA 82 CO 0.13 0.43 1.05 0.20 0.00 0.00 0.00 175.76 177.58 1u76 s GLY 83 N -0.29 2.11 0.00 0.00 0.00 -1.26 -4.88 107.32 103.01 1u76 s GLY 83 Ca 0.02 0.36 0.11 0.00 0.00 0.00 0.00 44.72 45.21 1u76 s GLY 83 CO 0.03 0.68 1.08 0.70 0.00 0.00 0.00 173.10 175.58 1u76 n ASN 84 N -2.00 0.00 0.00 1.64 3.02 -1.26 -2.36 115.26 114.30 1u76 n ASN 84 Ca 0.08 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1u76 n ASN 84 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1u76 n ASN 84 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1u76 n GLU 85 N -0.92 4.51 -1.57 3.52 4.07 -1.26 -4.24 120.64 124.75 1u76 n GLU 85 Ca 0.08 -0.11 -0.33 0.00 -0.06 0.00 0.00 57.16 56.74 1u76 n GLU 85 Cb 0.04 -0.57 0.07 0.00 -0.06 0.00 0.00 31.44 30.92 1u76 n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1u76 s ASP 86 N -0.68 4.65 -0.22 4.31 1.01 -0.99 -4.44 116.67 120.31 1u76 s ASP 86 Ca 0.00 2.13 -0.19 0.00 0.71 0.00 0.00 52.55 55.20 1u76 s ASP 86 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1u76 s ASP 86 CO 0.00 -1.94 0.55 -0.63 0.21 0.00 0.00 175.17 173.35 1u76 s ILE 87 N -2.24 5.07 -0.05 0.77 1.01 0.13 -3.66 121.20 122.23 1u76 s ILE 87 Ca 0.69 0.99 -0.04 0.00 0.00 0.00 0.00 60.65 62.29 1u76 s ILE 87 Cb -0.24 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1u76 s ILE 87 CO 0.44 0.12 0.15 -0.63 0.00 0.00 0.00 174.94 175.02 1u76 s ILE 88 N 1.96 5.30 -0.15 2.92 1.01 -0.53 -0.62 121.20 131.10 1u76 s ILE 88 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 1u76 s ILE 88 Cb -0.16 -3.40 0.04 0.00 0.01 0.00 0.00 42.46 38.95 1u76 s ILE 88 CO 0.09 0.44 -0.01 -0.89 0.00 0.00 0.00 174.94 174.58 1u76 s THR 89 N -1.19 0.69 0.08 2.92 2.01 -0.06 -0.62 115.64 119.48 1u76 s THR 89 Ca 0.22 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 1u76 s THR 89 Cb -0.12 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.34 1u76 s THR 89 CO 0.12 0.05 0.61 -0.76 -0.69 0.00 0.00 174.62 173.95 1u76 s LEU 90 N 1.81 4.53 -0.22 4.42 1.43 -0.30 -2.18 118.68 128.16 1u76 s LEU 90 Ca 0.01 1.32 -0.10 0.00 -1.03 0.00 0.00 54.13 54.34 1u76 s LEU 90 Cb -0.15 -2.97 0.09 0.00 0.03 0.00 0.00 46.19 43.19 1u76 s LEU 90 CO -0.07 0.25 0.50 -0.60 0.23 0.00 0.00 176.35 176.66 1u76 s ARG 91 N -1.03 0.45 0.26 1.70 3.52 -0.77 -0.68 118.95 122.40 1u76 s ARG 91 Ca 0.30 1.07 0.03 0.00 -0.13 0.00 0.00 55.73 57.01 1u76 s ARG 91 Cb -0.20 0.30 -0.05 0.00 -1.56 0.00 0.00 34.95 33.43 1u76 s ARG 91 CO 0.20 -0.20 0.03 0.00 -0.81 0.00 0.00 175.30 174.53 1u76 s ALA 92 N 2.16 1.92 -0.15 6.12 0.00 0.54 -1.10 121.76 131.23 1u76 s ALA 92 Ca -0.06 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.05 1u76 s ALA 92 Cb -0.10 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.69 1u76 s ALA 92 CO -0.15 -0.31 -0.16 -1.21 0.00 0.00 0.00 175.76 173.93 1u76 s GLU 93 N -3.91 2.54 0.57 0.00 0.41 -1.26 -1.66 118.70 115.39 1u76 s GLU 93 Ca 0.32 -0.66 0.34 0.00 -0.41 0.00 0.00 54.97 54.57 1u76 s GLU 93 Cb 0.07 -2.24 1.43 0.00 -1.78 0.00 0.00 34.13 31.61 1u76 s GLU 93 CO 0.11 -0.20 1.71 -0.44 -0.49 0.00 0.00 175.26 175.95 1u76 h ASP 94 N 7.92 0.00 0.40 -0.19 3.32 -1.94 0.23 116.42 126.16 1u76 h ASP 94 Ca -0.40 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.55 1u76 h ASP 94 Cb 1.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1u76 h ASP 94 CO 0.56 0.00 -1.69 0.59 -1.72 0.00 0.00 179.24 176.98 1u76 n ASN 95 N -3.84 0.41 -4.79 6.45 3.02 -1.26 -4.93 115.26 110.32 1u76 n ASN 95 Ca 0.23 0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.56 1u76 n ASN 95 Cb 1.23 1.02 -0.06 0.00 -0.61 0.00 0.00 39.78 41.37 1u76 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u76 s ALA 96 N -3.17 3.56 -0.48 5.41 0.00 0.80 -4.97 121.76 122.92 1u76 s ALA 96 Ca -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 1u76 s ALA 96 Cb 0.10 -2.62 0.22 0.00 0.00 0.00 0.00 23.12 20.82 1u76 s ALA 96 CO 0.85 0.28 2.28 -3.47 0.00 0.00 0.00 175.76 175.70 1u76 n ASP 97 N 2.36 6.80 -3.77 0.00 2.03 -1.26 -4.53 116.55 118.18 1u76 n ASP 97 Ca -0.09 -3.32 -0.13 0.00 0.52 0.00 0.00 54.79 51.77 1u76 n ASP 97 Cb 0.51 -1.11 -0.11 0.00 -0.72 0.00 0.00 41.12 39.70 1u76 n ASP 97 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1u76 s THR 98 N -3.00 0.00 -0.01 5.18 -1.32 -1.26 -1.37 115.64 113.87 1u76 s THR 98 Ca 0.48 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.93 1u76 s THR 98 Cb 0.36 -0.43 -0.04 0.00 -1.51 0.00 0.00 72.50 70.88 1u76 s THR 98 CO -0.12 -0.02 0.04 -0.22 -2.21 0.00 0.00 174.62 172.09 1u76 s LEU 99 N 0.05 3.72 -0.14 9.08 2.96 0.20 -4.37 118.68 130.18 1u76 s LEU 99 Ca -0.01 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1u76 s LEU 99 Cb -0.02 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1u76 s LEU 99 CO 0.01 0.28 -0.11 0.00 -1.32 0.00 0.00 176.35 175.21 1u76 s ALA 100 N -1.14 2.70 -0.25 5.97 0.00 -0.26 0.39 121.76 129.17 1u76 s ALA 100 Ca 0.21 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1u76 s ALA 100 Cb -0.12 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.72 1u76 s ALA 100 CO 0.12 0.18 -0.05 -0.51 0.00 0.00 0.00 175.76 175.50 1u76 s LEU 101 N 0.45 3.26 -0.17 0.00 1.02 0.38 -1.84 118.68 121.78 1u76 s LEU 101 Ca -0.08 -0.91 -0.02 0.00 0.02 0.00 0.00 54.13 53.14 1u76 s LEU 101 Cb -0.15 -1.67 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 1u76 s LEU 101 CO 0.04 -0.14 -0.10 -0.69 0.02 0.00 0.00 176.35 175.48 1u76 s VAL 102 N 1.32 3.09 -0.15 -1.59 1.01 -0.93 0.90 120.40 124.05 1u76 s VAL 102 Ca -0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1u76 s VAL 102 Cb -0.17 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1u76 s VAL 102 CO -0.04 0.48 -0.08 -0.36 0.00 0.00 0.00 175.10 175.10 1u76 s PHE 103 N 0.92 2.91 -0.18 5.22 0.08 0.68 -0.88 117.98 126.72 1u76 s PHE 103 Ca -0.02 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.46 1u76 s PHE 103 Cb -0.15 -1.92 -0.01 0.00 -0.57 0.00 0.00 43.02 40.37 1u76 s PHE 103 CO -0.00 -0.19 -0.08 -1.21 -0.10 0.00 0.00 175.22 173.64 1u76 s GLU 104 N 0.50 3.38 0.30 0.44 2.02 0.21 -0.87 118.70 124.69 1u76 s GLU 104 Ca -0.06 -0.65 -0.28 0.00 0.02 0.00 0.00 54.97 54.00 1u76 s GLU 104 Cb -0.15 -2.84 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 1u76 s GLU 104 CO 0.03 -0.02 1.08 0.00 0.02 0.00 0.00 175.26 176.37 1u76 s ALA 105 N 0.98 3.34 0.12 5.21 0.00 -1.05 0.21 121.76 130.56 1u76 s ALA 105 Ca -0.01 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 1u76 s ALA 105 Cb -0.15 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 1u76 s ALA 105 CO -0.00 -0.15 1.40 -1.35 0.00 0.00 0.00 175.76 175.66 1u76 h PRO 106 N 3.56 -0.05 -0.93 0.00 0.11 -1.92 0.21 132.00 132.98 1u76 h PRO 106 Ca -0.47 0.00 0.28 0.00 0.11 0.00 0.00 66.00 65.92 1u76 h PRO 106 Cb 1.21 0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 1u76 h PRO 106 CO 0.66 -0.03 0.32 -0.91 -0.21 0.00 0.00 178.00 177.83 1u76 h ASN 107 N -0.05 0.10 0.00 -2.05 2.35 -1.96 -3.46 115.58 110.52 1u76 h ASN 107 Ca 0.11 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1u76 h ASN 107 Cb 0.33 0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1u76 h ASN 107 CO -0.66 -0.20 0.00 0.00 -1.65 0.00 0.00 177.43 174.92 1u76 n GLN 108 N -5.22 0.00 -0.02 0.81 6.02 0.72 -4.92 117.38 114.77 1u76 n GLN 108 Ca 0.26 0.35 0.13 0.00 -0.01 0.00 0.00 57.00 57.72 1u76 n GLN 108 Cb 0.82 -2.85 0.27 0.00 1.02 0.00 0.00 30.24 29.51 1u76 n GLN 108 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1u76 n GLU 109 N -2.72 2.08 -3.81 -1.09 0.00 -1.26 -4.87 120.64 108.98 1u76 n GLU 109 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 57.16 55.44 1u76 n GLU 109 Cb 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 31.44 29.83 1u76 n GLU 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1u76 s LYS 110 N -1.94 0.03 -0.04 3.44 2.20 -1.26 -5.11 119.74 117.07 1u76 s LYS 110 Ca 0.33 0.16 -0.00 0.00 -0.36 0.00 0.00 55.97 56.10 1u76 s LYS 110 Cb 0.20 -0.10 0.03 0.00 -1.51 0.00 0.00 37.83 36.45 1u76 s LYS 110 CO 0.31 -0.09 0.01 0.08 -0.36 0.00 0.00 175.35 175.30 1u76 s VAL 111 N 0.59 0.16 -0.07 4.02 1.01 -1.26 -2.54 120.40 122.32 1u76 s VAL 111 Ca -0.05 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1u76 s VAL 111 Cb -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1u76 s VAL 111 CO -0.02 0.16 -0.00 -0.44 0.00 0.00 0.00 175.10 174.80 1u76 s SER 112 N 1.25 5.18 -0.08 3.32 0.01 -0.05 -4.95 113.70 118.38 1u76 s SER 112 Ca -0.07 0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.29 1u76 s SER 112 Cb -0.13 -1.43 0.03 0.00 0.21 0.00 0.00 66.02 64.70 1u76 s SER 112 CO -0.02 0.36 -0.03 -0.62 0.41 0.00 0.00 173.24 173.34 1u76 s ASP 113 N -1.03 1.62 -0.09 2.44 2.15 -1.26 -0.23 116.67 120.27 1u76 s ASP 113 Ca 0.15 -0.15 0.03 0.00 0.43 0.00 0.00 52.55 53.01 1u76 s ASP 113 Cb -0.11 -0.55 0.01 0.00 -0.30 0.00 0.00 42.92 41.97 1u76 s ASP 113 CO 0.04 -0.15 -0.17 -0.31 -0.17 0.00 0.00 175.17 174.41 1u76 s TYR 114 N 1.70 1.98 -0.33 -5.34 1.51 0.26 -4.98 117.35 112.16 1u76 s TYR 114 Ca 0.02 -0.81 -0.07 0.00 -1.01 0.00 0.00 57.07 55.19 1u76 s TYR 114 Cb -0.13 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1u76 s TYR 114 CO -0.05 -0.37 0.11 -1.21 -1.11 0.00 0.00 175.55 172.93 1u76 s GLU 115 N 0.59 2.85 -0.19 -0.62 0.41 -1.26 0.14 118.70 120.63 1u76 s GLU 115 Ca -0.15 -1.03 -0.09 0.00 -0.41 0.00 0.00 54.97 53.29 1u76 s GLU 115 Cb -0.16 -3.48 -0.05 0.00 -1.78 0.00 0.00 34.13 28.66 1u76 s GLU 115 CO 0.05 -0.58 0.11 1.41 -0.49 0.00 0.00 175.26 175.76 1u76 s MET 116 N 1.47 4.06 0.03 1.61 -2.45 0.16 -4.94 119.30 119.25 1u76 s MET 116 Ca 0.01 -0.24 -0.30 0.00 -1.25 0.00 0.00 55.69 53.90 1u76 s MET 116 Cb -0.18 -3.35 -0.06 0.00 1.25 0.00 0.00 34.83 32.49 1u76 s MET 116 CO 0.03 0.34 1.36 0.15 1.05 0.00 0.00 175.02 177.95 1u76 s LYS 117 N 0.22 4.32 0.84 4.11 1.02 -1.26 -0.62 119.74 128.36 1u76 s LYS 117 Ca 0.08 1.95 -0.07 0.00 0.02 0.00 0.00 55.97 57.94 1u76 s LYS 117 Cb -0.11 -3.46 0.17 0.00 -0.52 0.00 0.00 37.83 33.91 1u76 s LYS 117 CO -0.01 -0.49 1.15 -0.51 -0.92 0.00 0.00 175.35 174.57 1u76 s LEU 118 N 1.87 2.86 0.06 3.17 1.43 -0.47 -4.80 118.68 122.80 1u76 s LEU 118 Ca 0.63 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.41 1u76 s LEU 118 Cb -0.32 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 43.93 1u76 s LEU 118 CO 0.28 -2.30 0.35 0.00 0.23 0.00 0.00 176.35 174.91 1u76 s MET 119 N -5.48 0.90 -0.36 1.70 0.23 -0.61 -4.93 119.30 110.75 1u76 s MET 119 Ca 0.71 -0.53 -0.26 0.00 -1.03 0.00 0.00 55.69 54.58 1u76 s MET 119 Cb -0.04 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.67 1u76 s MET 119 CO 0.48 -0.31 0.91 -0.51 -2.03 0.00 0.00 175.02 173.56 1u76 s ASP 120 N -2.25 6.68 -0.11 -1.18 1.01 -1.26 -3.58 116.67 115.98 1u76 s ASP 120 Ca -0.03 0.59 0.02 0.00 0.71 0.00 0.00 52.55 53.84 1u76 s ASP 120 Cb 0.00 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 1u76 s ASP 120 CO -0.05 -0.83 -0.19 -0.76 0.21 0.00 0.00 175.17 173.55 1u76 s LEU 121 N 3.41 2.41 -0.58 1.23 1.43 -1.26 -5.00 118.68 120.32 1u76 s LEU 121 Ca 0.37 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1u76 s LEU 121 Cb -0.12 -1.50 0.46 0.00 0.03 0.00 0.00 46.19 45.05 1u76 s LEU 121 CO 0.18 0.18 1.85 -0.90 0.23 0.00 0.00 176.35 177.89 1u76 n ASP 122 N 3.38 6.93 -3.93 2.29 5.75 -1.26 -4.98 116.55 124.73 1u76 n ASP 122 Ca -0.18 -3.78 -0.41 0.00 -0.01 0.00 0.00 54.79 50.41 1u76 n ASP 122 Cb 0.53 -0.84 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 1u76 n ASP 122 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1u76 n VAL 123 N -0.89 1.24 -2.69 2.12 0.31 -1.26 -4.85 118.33 112.31 1u76 n VAL 123 Ca 0.58 -0.45 -0.43 0.00 -0.01 0.00 0.00 64.34 64.04 1u76 n VAL 123 Cb 0.76 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.66 1u76 n VAL 123 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1u76 s GLU 124 N -0.90 3.50 0.29 5.55 2.12 -1.26 -5.01 118.70 122.99 1u76 s GLU 124 Ca 0.56 0.15 -0.28 0.00 0.36 0.00 0.00 54.97 55.76 1u76 s GLU 124 Cb -0.72 -3.99 -0.09 0.00 0.26 0.00 0.00 34.13 29.59 1u76 s GLU 124 CO 0.53 -1.51 0.99 -0.65 -0.54 0.00 0.00 175.26 174.08 1u76 s GLN 125 N 4.42 4.66 0.19 4.30 -1.52 -1.26 -4.80 119.66 125.65 1u76 s GLN 125 Ca 0.40 1.52 0.09 0.00 -1.95 0.00 0.00 55.36 55.42 1u76 s GLN 125 Cb -0.09 -3.05 -0.04 0.00 -0.22 0.00 0.00 33.01 29.61 1u76 s GLN 125 CO 0.25 0.31 -0.18 -0.51 -0.25 0.00 0.00 175.29 174.91 1u76 s LEU 126 N -1.64 2.48 -0.15 2.90 1.43 -1.26 -5.14 118.68 117.29 1u76 s LEU 126 Ca 0.46 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1u76 s LEU 126 Cb -0.25 -0.84 0.02 0.00 0.03 0.00 0.00 46.19 45.15 1u76 s LEU 126 CO 0.31 -0.05 -0.16 -0.83 0.23 0.00 0.00 176.35 175.85 1u76 s GLY 127 N -2.88 1.20 -0.02 -3.19 0.00 -1.26 -5.09 107.32 96.07 1u76 s GLY 127 Ca 0.19 -0.99 -0.30 0.00 0.00 0.00 0.00 44.72 43.62 1u76 s GLY 127 CO 0.08 0.41 1.07 -0.26 0.00 0.00 0.00 173.10 174.39 1u76 s ILE 128 N 1.36 4.58 -0.64 0.90 -4.36 -1.26 -4.98 121.20 116.80 1u76 s ILE 128 Ca 0.03 1.86 -0.28 0.00 -0.26 0.00 0.00 60.65 62.01 1u76 s ILE 128 Cb -0.13 -4.19 0.03 0.00 1.25 0.00 0.00 42.46 39.41 1u76 s ILE 128 CO -0.10 0.09 1.27 -2.84 0.24 0.00 0.00 174.94 173.60 1u76 s PRO 129 N 1.46 3.34 -0.23 0.37 0.02 -1.26 -4.95 135.00 133.74 1u76 s PRO 129 Ca 0.53 0.10 -0.37 0.00 0.02 0.00 0.00 61.00 61.27 1u76 s PRO 129 Cb -0.23 -4.10 -0.14 0.00 0.02 0.00 0.00 34.50 30.06 1u76 s PRO 129 CO 0.25 -1.92 1.88 -0.85 -0.33 0.00 0.00 177.00 176.02 1u76 n GLU 130 N 8.85 1.48 -4.32 5.54 0.28 -1.26 -4.91 120.64 126.29 1u76 n GLU 130 Ca 0.07 0.52 -0.20 0.00 -0.16 0.00 0.00 57.16 57.40 1u76 n GLU 130 Cb 0.49 -2.35 -0.08 0.00 1.43 0.00 0.00 31.44 30.93 1u76 n GLU 130 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1u76 s GLN 131 N 4.25 1.72 0.13 3.44 -2.07 -1.26 -5.17 119.66 120.70 1u76 s GLN 131 Ca 0.99 -2.00 0.04 0.00 -1.82 0.00 0.00 55.36 52.57 1u76 s GLN 131 Cb -0.91 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.08 1u76 s GLN 131 CO 0.58 -0.57 0.13 -2.00 -1.32 0.00 0.00 175.29 172.11 1u76 s GLU 132 N -3.60 2.94 -0.08 9.60 2.56 -1.26 -5.12 118.70 123.73 1u76 s GLU 132 Ca 0.37 -0.78 0.05 0.00 0.00 0.00 0.00 54.97 54.60 1u76 s GLU 132 Cb 0.03 -2.70 -0.00 0.00 2.00 0.00 0.00 34.13 33.46 1u76 s GLU 132 CO 0.23 0.52 -0.24 0.71 -0.56 0.00 0.00 175.26 175.91 1u76 s TYR 133 N -1.63 2.51 0.23 5.30 1.51 -1.26 -4.92 117.35 119.10 1u76 s TYR 133 Ca 0.31 -0.91 -0.07 0.00 -1.01 0.00 0.00 57.07 55.38 1u76 s TYR 133 Cb -0.11 -1.67 0.21 0.00 -0.11 0.00 0.00 41.96 40.29 1u76 s TYR 133 CO 0.23 -0.34 1.87 0.77 -1.11 0.00 0.00 175.55 176.97 1u76 h SER 134 N 6.45 1.11 -3.82 2.29 0.02 -1.78 -3.44 113.55 114.38 1u76 h SER 134 Ca -0.24 -0.08 -0.37 0.00 -0.84 0.00 0.00 61.79 60.25 1u76 h SER 134 Cb 1.21 -0.28 -0.30 0.00 0.14 0.00 0.00 62.40 63.17 1u76 h SER 134 CO 0.47 0.87 -0.77 0.00 -1.14 0.00 0.00 176.83 176.26 1u76 s VAL 136 N 0.15 0.80 -0.20 0.00 1.01 -1.03 -1.13 120.40 120.02 1u76 s VAL 136 Ca -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1u76 s VAL 136 Cb -0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 1u76 s VAL 136 CO -0.00 0.31 -0.10 -0.69 0.00 0.00 0.00 175.10 174.63 1u76 s VAL 137 N 1.80 2.99 -0.13 2.92 1.01 0.12 -1.45 120.40 127.66 1u76 s VAL 137 Ca 0.05 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1u76 s VAL 137 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1u76 s VAL 137 CO -0.07 0.47 0.01 -0.75 0.00 0.00 0.00 175.10 174.76 1u76 s LYS 138 N 1.25 3.40 0.13 2.72 2.20 -0.44 0.80 119.74 129.79 1u76 s LYS 138 Ca 0.03 -0.41 -0.25 0.00 -0.36 0.00 0.00 55.97 54.98 1u76 s LYS 138 Cb -0.14 -2.93 0.07 0.00 -1.51 0.00 0.00 37.83 33.32 1u76 s LYS 138 CO -0.04 0.49 0.77 0.00 -0.36 0.00 0.00 175.35 176.21 1u76 s MET 139 N -0.30 1.20 0.32 4.03 0.23 -0.50 -1.85 119.30 122.44 1u76 s MET 139 Ca 0.07 -0.53 -0.28 0.00 -1.03 0.00 0.00 55.69 53.91 1u76 s MET 139 Cb -0.12 0.50 -0.13 0.00 -1.53 0.00 0.00 34.83 33.55 1u76 s MET 139 CO 0.02 -0.54 1.25 -2.30 -2.03 0.00 0.00 175.02 171.43 1u76 n PRO 140 N -0.36 1.96 0.01 3.16 -0.02 -1.26 -1.15 135.00 137.33 1u76 n PRO 140 Ca -0.11 0.69 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 1u76 n PRO 140 Cb 0.62 -2.24 0.20 0.00 -0.02 0.00 0.00 33.50 32.06 1u76 n PRO 140 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1u76 h SER 141 N 2.66 0.50 -0.52 2.55 4.64 -1.13 -2.30 113.55 119.97 1u76 h SER 141 Ca -0.45 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 60.63 1u76 h SER 141 Cb 1.29 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1u76 h SER 141 CO 0.64 0.73 0.02 1.23 -0.87 0.00 0.00 176.83 178.59 1u76 h GLY 142 N 1.00 1.01 0.80 -0.77 0.00 -1.88 0.81 103.07 104.05 1u76 h GLY 142 Ca 0.07 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 1u76 h GLY 142 CO 0.05 0.64 0.01 -2.09 0.00 0.00 0.00 176.54 175.15 1u76 h GLU 143 N 0.87 0.06 -0.36 4.80 4.81 -1.87 -0.38 114.58 122.51 1u76 h GLU 143 Ca 0.17 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1u76 h GLU 143 Cb 0.48 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1u76 h GLU 143 CO 0.02 0.26 0.11 0.35 -0.73 0.00 0.00 179.01 179.02 1u76 h PHE 144 N -0.14 0.20 -0.21 0.92 3.57 -1.16 -0.26 116.94 119.85 1u76 h PHE 144 Ca 0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1u76 h PHE 144 Cb 0.22 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1u76 h PHE 144 CO -0.00 0.07 -0.06 0.00 -2.23 0.00 0.00 178.31 176.09 1u76 h ALA 145 N 1.24 0.13 -0.37 2.41 0.00 -0.71 -1.77 119.26 120.19 1u76 h ALA 145 Ca 0.17 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1u76 h ALA 145 Cb 0.16 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1u76 h ALA 145 CO -0.19 -0.48 0.21 -0.09 0.00 0.00 0.00 179.25 178.70 1u76 h ARG 146 N -0.01 0.41 -0.45 0.00 9.65 -0.48 -1.18 114.38 122.32 1u76 h ARG 146 Ca 0.11 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.05 1u76 h ARG 146 Cb 0.17 -0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.58 1u76 h ARG 146 CO -0.23 0.27 -0.06 0.82 2.80 0.00 0.00 179.97 183.57 1u76 h ILE 147 N 0.42 0.60 0.00 1.20 2.04 -0.66 0.31 117.51 121.42 1u76 h ILE 147 Ca 0.15 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.94 1u76 h ILE 147 Cb 0.02 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1u76 h ILE 147 CO -0.08 0.01 -0.27 0.00 0.00 0.00 0.00 178.15 177.82 1u76 h ARG 149 N 0.00 0.42 0.40 0.00 2.43 0.09 -3.04 114.38 114.67 1u76 h ARG 149 Ca -0.00 -0.52 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1u76 h ARG 149 Cb 0.47 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1u76 h ARG 149 CO 0.03 1.18 -0.37 -0.44 -1.51 0.00 0.00 179.97 178.87 1u76 h ASP 150 N -0.11 -1.00 -0.81 -3.80 3.32 -0.14 -2.56 116.42 111.32 1u76 h ASP 150 Ca -0.11 0.08 0.17 0.00 0.02 0.00 0.00 57.03 57.19 1u76 h ASP 150 Cb 1.48 0.32 -0.05 0.00 0.22 0.00 0.00 39.33 41.30 1u76 h ASP 150 CO 0.14 -0.50 0.54 -0.07 -1.72 0.00 0.00 179.24 177.64 1u76 h LEU 151 N -0.76 0.38 -1.72 1.55 3.38 -1.51 -0.04 115.31 116.60 1u76 h LEU 151 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1u76 h LEU 151 Cb 0.65 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1u76 h LEU 151 CO -0.03 0.18 0.28 0.28 0.09 0.00 0.00 178.44 179.24 1u76 h SER 152 N 0.40 0.00 1.08 -0.43 0.02 -1.33 0.75 113.55 114.04 1u76 h SER 152 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1u76 h SER 152 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1u76 h SER 152 CO -0.13 0.00 -0.77 0.45 -1.14 0.00 0.00 176.83 175.24 1u76 h HIS 153 N 0.00 0.00 0.01 3.45 3.86 -1.04 -3.37 115.15 118.05 1u76 h HIS 153 Ca 0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1u76 h HIS 153 Cb 0.55 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 1u76 h HIS 153 CO 0.00 0.00 -1.28 0.82 0.86 0.00 0.00 177.93 178.33 1u76 h ILE 154 N 0.00 0.92 -2.84 2.45 1.08 0.37 -3.48 117.51 116.01 1u76 h ILE 154 Ca 0.00 -2.20 -0.08 0.00 -0.39 0.00 0.00 64.86 62.19 1u76 h ILE 154 Cb 0.93 2.29 -0.01 0.00 -3.07 0.00 0.00 36.82 36.96 1u76 h ILE 154 CO 0.00 0.38 0.07 0.61 -0.69 0.00 0.00 178.15 178.52 1u76 n GLY 155 N 1.49 1.79 0.09 5.37 0.00 -0.65 -3.16 105.19 110.12 1u76 n GLY 155 Ca -0.31 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1u76 n GLY 155 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1u76 h ASP 156 N 1.21 0.10 -2.73 1.61 2.03 -1.87 -3.38 116.42 113.40 1u76 h ASP 156 Ca -0.19 -0.16 -0.61 0.00 -0.73 0.00 0.00 57.03 55.33 1u76 h ASP 156 Cb 0.75 -0.03 -0.14 0.00 -0.83 0.00 0.00 39.33 39.08 1u76 h ASP 156 CO 0.25 1.14 -0.72 0.00 -1.03 0.00 0.00 179.24 178.88 1u76 s ALA 157 N -2.63 2.91 -0.07 4.15 0.00 -1.26 -0.60 121.76 124.27 1u76 s ALA 157 Ca -0.05 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.35 1u76 s ALA 157 Cb 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1u76 s ALA 157 CO 0.83 0.39 -0.18 0.54 0.00 0.00 0.00 175.76 177.33 1u76 s VAL 158 N -1.96 1.59 -0.32 0.00 0.11 0.79 -4.47 120.40 116.14 1u76 s VAL 158 Ca 0.27 -0.77 -0.15 0.00 -2.93 0.00 0.00 61.98 58.40 1u76 s VAL 158 Cb -0.08 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 1u76 s VAL 158 CO 0.16 0.45 0.35 -0.69 -3.33 0.00 0.00 175.10 172.04 1u76 s VAL 159 N 0.32 5.18 -0.41 2.04 1.01 0.05 -1.24 120.40 127.35 1u76 s VAL 159 Ca -0.12 0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1u76 s VAL 159 Cb -0.15 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.48 1u76 s VAL 159 CO 0.05 0.00 0.35 -0.63 0.00 0.00 0.00 175.10 174.87 1u76 s ILE 160 N 2.01 5.20 -0.24 2.22 1.01 0.23 -1.72 121.20 129.91 1u76 s ILE 160 Ca 0.12 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 1u76 s ILE 160 Cb -0.16 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1u76 s ILE 160 CO 0.11 -0.35 0.05 -0.44 0.00 0.00 0.00 174.94 174.31 1u76 s SER 161 N 1.73 4.98 -0.19 3.58 0.01 0.22 -2.22 113.70 121.81 1u76 s SER 161 Ca 0.07 -0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 1u76 s SER 161 Cb -0.18 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 1u76 s SER 161 CO 0.11 -0.03 -0.08 0.00 0.41 0.00 0.00 173.24 173.65 1u76 n ALA 163 N 4.38 0.00 0.23 0.00 0.00 -0.57 -1.16 120.51 123.39 1u76 n ALA 163 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1u76 n ALA 163 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1u76 n ALA 163 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1u76 h LYS 164 N 0.00 -0.60 0.79 0.00 1.63 -1.97 -3.38 116.57 113.04 1u76 h LYS 164 Ca 0.00 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1u76 h LYS 164 Cb 0.00 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1u76 h LYS 164 CO 0.00 -0.40 -0.47 0.38 -3.45 0.00 0.00 179.45 175.51 1u76 h ASP 165 N -0.94 -1.18 -0.85 4.20 2.03 -1.98 -3.46 116.42 114.24 1u76 h ASP 165 Ca -0.06 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1u76 h ASP 165 Cb 0.48 0.34 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 1u76 h ASP 165 CO 0.10 -0.73 0.00 0.61 -1.03 0.00 0.00 179.24 178.19 1u76 n GLY 166 N -1.61 3.83 3.40 7.15 0.00 -1.26 -3.64 105.19 113.06 1u76 n GLY 166 Ca -0.14 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1u76 n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u76 s VAL 167 N -2.05 2.35 -0.03 1.61 0.11 0.05 -1.51 120.40 120.92 1u76 s VAL 167 Ca 0.00 -1.62 0.02 0.00 -2.93 0.00 0.00 61.98 57.45 1u76 s VAL 167 Cb 0.00 -2.02 0.01 0.00 -1.53 0.00 0.00 36.38 32.84 1u76 s VAL 167 CO 0.00 0.16 -0.08 -0.75 -3.33 0.00 0.00 175.10 171.10 1u76 s LYS 168 N -1.88 0.97 -0.06 1.54 2.20 0.31 -1.44 119.74 121.38 1u76 s LYS 168 Ca 0.14 -0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.52 1u76 s LYS 168 Cb -0.10 -0.91 -0.03 0.00 -1.51 0.00 0.00 37.83 35.29 1u76 s LYS 168 CO 0.06 0.05 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.92 1u76 s PHE 169 N 0.44 2.81 0.07 4.03 0.40 -0.66 0.71 117.98 125.77 1u76 s PHE 169 Ca -0.07 -0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 55.97 1u76 s PHE 169 Cb -0.11 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.77 1u76 s PHE 169 CO 0.01 0.21 0.40 -1.54 0.70 0.00 0.00 175.22 175.00 1u76 s SER 170 N -0.67 -0.26 0.25 1.36 1.04 -0.70 -0.58 113.70 114.14 1u76 s SER 170 Ca 0.10 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 1u76 s SER 170 Cb -0.11 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1u76 s SER 170 CO 0.01 -0.72 0.51 0.00 0.98 0.00 0.00 173.24 174.02 1u76 s ALA 171 N -2.93 -0.41 0.04 5.32 0.00 -0.56 -0.77 121.76 122.45 1u76 s ALA 171 Ca -0.02 -0.76 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 1u76 s ALA 171 Cb 0.00 1.02 0.03 0.00 0.00 0.00 0.00 23.12 24.17 1u76 s ALA 171 CO -0.06 -0.87 0.39 -1.54 0.00 0.00 0.00 175.76 173.69 1u76 s SER 172 N -2.99 -0.26 0.00 0.00 1.04 -1.26 -1.56 113.70 108.67 1u76 s SER 172 Ca 0.20 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1u76 s SER 172 Cb -0.01 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1u76 s SER 172 CO 0.08 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1u76 n GLY 173 N 0.52 2.28 0.20 7.32 0.00 0.93 -4.22 105.19 112.23 1u76 n GLY 173 Ca -0.19 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 1u76 n GLY 173 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u76 h GLU 174 N 0.00 -0.13 -1.83 1.61 5.08 -1.98 -2.77 114.58 114.57 1u76 h GLU 174 Ca 0.00 0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.10 1u76 h GLU 174 Cb 0.00 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.18 1u76 h GLU 174 CO 0.00 -0.09 0.17 1.47 -1.00 0.00 0.00 179.01 179.56 1u76 n LEU 175 N -5.31 6.00 0.00 1.33 -0.00 -1.26 -4.98 117.00 112.78 1u76 n LEU 175 Ca -0.01 -3.26 0.00 0.00 -0.00 0.00 0.00 56.01 52.74 1u76 n LEU 175 Cb 0.23 -1.18 0.00 0.00 -0.00 0.00 0.00 43.42 42.46 1u76 n LEU 175 CO 0.18 1.38 0.00 0.61 -0.00 0.00 0.00 177.39 179.57 1u76 n GLY 176 N 1.12 -0.75 3.47 1.47 0.00 -1.05 -5.00 105.19 104.46 1u76 n GLY 176 Ca 0.30 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1u76 n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u76 s ASN 177 N -4.00 -0.16 0.29 1.61 2.20 -1.26 -0.05 114.94 113.58 1u76 s ASN 177 Ca 0.00 -0.62 -0.16 0.00 -0.94 0.00 0.00 52.86 51.13 1u76 s ASN 177 Cb 0.00 0.54 0.02 0.00 -2.00 0.00 0.00 41.25 39.80 1u76 s ASN 177 CO 0.00 -1.01 0.64 -0.83 -2.94 0.00 0.00 177.10 172.95 1u76 s GLY 178 N -2.91 0.31 -0.07 0.45 0.00 -0.60 -4.99 107.32 99.51 1u76 s GLY 178 Ca 0.12 -0.66 -0.28 0.00 0.00 0.00 0.00 44.72 43.90 1u76 s GLY 178 CO -0.01 -0.37 0.63 0.54 0.00 0.00 0.00 173.10 173.89 1u76 s ASN 179 N -3.00 -0.61 -0.06 1.64 2.20 -1.26 -1.50 114.94 112.35 1u76 s ASN 179 Ca 0.17 0.70 0.03 0.00 -0.94 0.00 0.00 52.86 52.83 1u76 s ASN 179 Cb -0.04 0.59 -0.02 0.00 -2.00 0.00 0.00 41.25 39.78 1u76 s ASN 179 CO 0.09 -0.55 -0.15 -0.63 -2.94 0.00 0.00 177.10 172.92 1u76 s ILE 180 N -1.05 2.97 -0.12 0.54 1.01 0.25 -4.97 121.20 119.83 1u76 s ILE 180 Ca -0.10 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1u76 s ILE 180 Cb -0.01 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1u76 s ILE 180 CO 0.08 0.58 -0.22 -0.54 0.00 0.00 0.00 174.94 174.84 1u76 s LYS 181 N -0.52 3.04 -0.07 2.79 1.02 -1.26 -1.66 119.74 123.08 1u76 s LYS 181 Ca 0.07 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.23 1u76 s LYS 181 Cb -0.12 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 1u76 s LYS 181 CO 0.01 0.07 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.86 1u76 s LEU 182 N 0.61 2.67 0.09 3.17 1.43 -0.52 -5.01 118.68 121.12 1u76 s LEU 182 Ca -0.12 -0.25 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1u76 s LEU 182 Cb -0.17 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1u76 s LEU 182 CO 0.03 0.30 -0.17 -0.44 0.23 0.00 0.00 176.35 176.30 1u76 s SER 183 N -0.44 2.07 0.67 2.29 0.01 -1.26 -0.77 113.70 116.26 1u76 s SER 183 Ca 0.05 -0.66 -0.18 0.00 1.31 0.00 0.00 55.95 56.48 1u76 s SER 183 Cb -0.12 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.02 1u76 s SER 183 CO 0.02 -0.02 1.29 0.00 0.41 0.00 0.00 173.24 174.93 1u76 n GLN 184 N 1.13 1.02 -1.07 12.44 6.02 -1.24 -4.74 117.38 130.94 1u76 n GLN 184 Ca -0.20 0.41 -0.01 0.00 -0.01 0.00 0.00 57.00 57.19 1u76 n GLN 184 Cb 0.54 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 29.28 1u76 n GLN 184 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1u76 n THR 185 N -2.07 0.00 -2.70 5.09 -2.24 -1.10 -4.99 114.28 106.28 1u76 n THR 185 Ca 0.16 -0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.78 1u76 n THR 185 Cb 0.48 -1.00 0.12 0.00 -2.10 0.00 0.00 70.33 67.83 1u76 n THR 185 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1u76 n SER 186 N -2.97 -1.91 -0.04 3.42 3.41 -1.26 -5.00 113.62 109.27 1u76 n SER 186 Ca 0.01 -2.50 -0.04 0.00 -0.26 0.00 0.00 58.87 56.08 1u76 n SER 186 Cb 0.03 1.06 -0.01 0.00 -0.26 0.00 0.00 64.21 65.02 1u76 n SER 186 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u76 n GLU 191 N -0.56 0.26 -0.43 4.33 1.02 -1.26 -5.21 120.64 118.80 1u76 n GLU 191 Ca -0.03 0.10 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 1u76 n GLU 191 Cb 0.84 -0.92 0.25 0.00 -0.02 0.00 0.00 31.44 31.59 1u76 n GLU 191 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1u76 n GLU 192 N -3.65 3.03 0.00 3.49 1.02 -1.26 -4.36 120.64 118.91 1u76 n GLU 192 Ca -0.07 -2.74 0.00 0.00 -0.02 0.00 0.00 57.16 54.34 1u76 n GLU 192 Cb 0.26 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1u76 n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1u76 n GLU 193 N -0.26 4.06 -2.82 3.49 1.02 -1.26 -4.30 120.64 120.56 1u76 n GLU 193 Ca 0.20 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.10 1u76 n GLU 193 Cb 0.83 -0.71 0.02 0.00 -0.02 0.00 0.00 31.44 31.56 1u76 n GLU 193 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u76 s ALA 194 N -1.41 3.62 -0.17 0.62 0.00 -1.26 -4.82 121.76 118.34 1u76 s ALA 194 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1u76 s ALA 194 Cb 0.00 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.86 1u76 s ALA 194 CO 0.00 -0.48 -0.16 0.08 0.00 0.00 0.00 175.76 175.20 1u76 s VAL 195 N -2.68 1.80 0.02 0.00 1.01 -1.26 -4.24 120.40 115.05 1u76 s VAL 195 Ca 0.50 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1u76 s VAL 195 Cb -0.10 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1u76 s VAL 195 CO 0.40 0.43 -0.10 0.42 0.00 0.00 0.00 175.10 176.26 1u76 s THR 196 N 1.38 3.40 -0.01 3.92 -4.23 -0.77 -2.69 115.64 116.64 1u76 s THR 196 Ca 0.04 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1u76 s THR 196 Cb -0.14 -2.47 -0.00 0.00 1.34 0.00 0.00 72.50 71.23 1u76 s THR 196 CO -0.11 0.37 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.62 1u76 s ILE 197 N -0.99 0.72 -0.44 2.99 1.01 -1.26 -1.33 121.20 121.91 1u76 s ILE 197 Ca 0.17 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1u76 s ILE 197 Cb -0.11 -0.62 0.12 0.00 0.01 0.00 0.00 42.46 41.87 1u76 s ILE 197 CO 0.07 0.21 0.20 -1.61 0.00 0.00 0.00 174.94 173.82 1u76 s GLU 198 N -0.06 1.45 -0.35 2.79 2.02 -0.53 -4.98 118.70 119.05 1u76 s GLU 198 Ca 0.01 -2.06 -0.10 0.00 0.02 0.00 0.00 54.97 52.83 1u76 s GLU 198 Cb -0.05 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1u76 s GLU 198 CO -0.00 -1.10 0.18 1.41 0.02 0.00 0.00 175.26 175.77 1u76 s MET 199 N 0.38 3.04 -0.16 1.61 1.75 -1.26 -2.45 119.30 122.21 1u76 s MET 199 Ca 0.16 -0.93 0.15 0.00 -1.25 0.00 0.00 55.69 53.81 1u76 s MET 199 Cb -0.23 -3.66 -0.24 0.00 2.84 0.00 0.00 34.83 33.54 1u76 s MET 199 CO -0.04 -0.58 0.23 0.09 -0.65 0.00 0.00 175.02 174.07 1u76 n ASN 200 N 4.99 0.44 -3.71 1.11 3.02 0.42 -4.92 115.26 116.62 1u76 n ASN 200 Ca -0.13 0.12 -0.12 0.00 -0.03 0.00 0.00 54.58 54.42 1u76 n ASN 200 Cb 0.47 0.55 -0.12 0.00 -0.61 0.00 0.00 39.78 40.07 1u76 n ASN 200 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1u76 s GLU 201 N -2.52 0.26 0.37 3.52 2.02 -1.24 -5.09 118.70 116.01 1u76 s GLU 201 Ca -0.10 0.66 -0.27 0.00 0.02 0.00 0.00 54.97 55.27 1u76 s GLU 201 Cb 0.07 -0.06 -0.11 0.00 0.10 0.00 0.00 34.13 34.12 1u76 s GLU 201 CO 0.81 -0.18 1.30 -2.30 0.02 0.00 0.00 175.26 174.91 1u76 n PRO 202 N 4.42 2.11 -4.16 0.39 -0.02 -1.26 -4.61 135.00 131.87 1u76 n PRO 202 Ca -0.22 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 1u76 n PRO 202 Cb 0.53 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.54 1u76 n PRO 202 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u76 s VAL 203 N -1.13 0.86 -0.12 -1.45 1.01 -0.31 -4.97 120.40 114.31 1u76 s VAL 203 Ca 0.57 -1.55 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 1u76 s VAL 203 Cb -0.54 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 34.65 1u76 s VAL 203 CO 0.61 -0.53 0.25 -1.58 0.00 0.00 0.00 175.10 173.85 1u76 s GLN 204 N -2.61 0.17 0.01 2.72 0.74 -1.26 -0.43 119.66 119.00 1u76 s GLN 204 Ca 0.03 0.65 -0.09 0.00 0.05 0.00 0.00 55.36 56.00 1u76 s GLN 204 Cb -0.04 -0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.00 1u76 s GLN 204 CO -0.00 -0.23 0.17 -0.51 -0.55 0.00 0.00 175.29 174.17 1u76 s LEU 205 N 1.89 1.42 -0.17 3.68 1.43 -0.94 -4.88 118.68 121.10 1u76 s LEU 205 Ca -0.04 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1u76 s LEU 205 Cb -0.11 0.82 -0.03 0.00 0.03 0.00 0.00 46.19 46.90 1u76 s LEU 205 CO -0.09 -0.43 -0.02 -0.89 0.23 0.00 0.00 176.35 175.16 1u76 s THR 206 N -1.67 3.92 0.17 5.49 2.01 -1.26 -0.60 115.64 123.69 1u76 s THR 206 Ca -0.12 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.59 1u76 s THR 206 Cb -0.06 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1u76 s THR 206 CO 0.01 0.47 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.94 1u76 s PHE 207 N 0.62 1.39 -0.24 4.92 0.08 -0.37 -0.59 117.98 123.78 1u76 s PHE 207 Ca -0.02 -0.73 -0.21 0.00 0.12 0.00 0.00 56.93 56.09 1u76 s PHE 207 Cb -0.14 -0.70 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 1u76 s PHE 207 CO 0.02 0.14 0.65 0.00 -0.10 0.00 0.00 175.22 175.93 1u76 s ALA 208 N -3.25 3.61 0.55 5.36 0.00 -1.26 -0.15 121.76 126.61 1u76 s ALA 208 Ca 0.19 -0.38 0.22 0.00 0.00 0.00 0.00 51.96 51.99 1u76 s ALA 208 Cb 0.02 -3.05 1.50 0.00 0.00 0.00 0.00 23.12 21.59 1u76 s ALA 208 CO 0.03 -0.78 2.19 -0.07 0.00 0.00 0.00 175.76 177.12 1u76 h LEU 209 N 8.83 0.00 -0.68 0.00 3.38 -1.17 -2.11 115.31 123.56 1u76 h LEU 209 Ca -0.27 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.79 1u76 h LEU 209 Cb 1.12 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1u76 h LEU 209 CO 0.78 0.00 0.33 -0.09 0.09 0.00 0.00 178.44 179.55 1u76 h ARG 210 N 0.00 0.55 0.20 1.13 2.43 -1.93 0.17 114.38 116.93 1u76 h ARG 210 Ca 0.01 -0.03 -0.31 0.00 -0.81 0.00 0.00 59.98 58.83 1u76 h ARG 210 Cb 0.05 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1u76 h ARG 210 CO -0.00 0.36 -1.38 1.88 -1.51 0.00 0.00 179.97 179.32 1u76 h TYR 211 N 0.57 0.84 -0.96 2.20 -1.99 -1.77 -3.08 116.97 112.77 1u76 h TYR 211 Ca 0.34 -0.60 0.07 0.00 2.00 0.00 0.00 58.73 60.54 1u76 h TYR 211 Cb 0.36 -0.04 -0.07 0.00 2.00 0.00 0.00 36.73 38.98 1u76 h TYR 211 CO -0.12 1.47 0.61 -0.07 -0.00 0.00 0.00 178.16 180.05 1u76 h LEU 212 N 0.14 0.96 -2.05 3.88 3.38 -1.20 0.28 115.31 120.70 1u76 h LEU 212 Ca -0.21 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1u76 h LEU 212 Cb 2.08 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 1u76 h LEU 212 CO 0.25 0.60 -0.07 0.78 0.09 0.00 0.00 178.44 180.08 1u76 h ASN 213 N 1.09 0.00 -0.04 -0.43 2.35 -0.66 -1.43 115.58 116.45 1u76 h ASN 213 Ca 0.43 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.98 1u76 h ASN 213 Cb 0.22 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.61 1u76 h ASN 213 CO -0.19 0.07 -0.75 -0.26 -1.65 0.00 0.00 177.43 174.65 1u76 h PHE 214 N 0.00 0.84 -0.80 1.19 0.04 -0.42 -3.18 116.94 114.61 1u76 h PHE 214 Ca -0.00 -0.43 0.08 0.00 2.80 0.00 0.00 57.97 60.42 1u76 h PHE 214 Cb 0.16 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.15 1u76 h PHE 214 CO 0.00 1.25 0.52 0.74 -0.60 0.00 0.00 178.31 180.22 1u76 h PHE 215 N 0.20 0.84 0.00 -0.55 0.04 -0.17 -2.05 116.94 115.25 1u76 h PHE 215 Ca -0.08 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1u76 h PHE 215 Cb 1.42 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1u76 h PHE 215 CO 0.12 0.42 0.00 0.25 -0.60 0.00 0.00 178.31 178.49 1u76 n THR 216 N -4.50 1.27 0.64 -1.55 -2.24 -0.73 -2.05 114.28 105.13 1u76 n THR 216 Ca 0.13 0.32 0.06 0.00 -2.27 0.00 0.00 64.05 62.29 1u76 n THR 216 Cb 0.27 -1.15 0.34 0.00 -2.10 0.00 0.00 70.33 67.68 1u76 n THR 216 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u76 n LYS 217 N -1.47 0.21 0.00 -0.78 4.76 -0.77 -1.03 118.16 119.08 1u76 n LYS 217 Ca 0.03 0.15 0.12 0.00 -2.87 0.00 0.00 58.31 55.74 1u76 n LYS 217 Cb 0.11 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 32.07 1u76 n LYS 217 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u76 n ALA 218 N -1.26 3.20 -0.30 7.82 0.00 -0.87 -4.35 120.51 124.75 1u76 n ALA 218 Ca 0.07 -0.48 0.14 0.00 0.00 0.00 0.00 53.44 53.17 1u76 n ALA 218 Cb 0.10 -1.04 0.31 0.00 0.00 0.00 0.00 19.45 18.83 1u76 n ALA 218 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u76 h THR 219 N 1.62 0.32 0.00 0.00 2.02 -1.30 0.21 112.91 115.77 1u76 h THR 219 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1u76 h THR 219 Cb 0.58 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1u76 h THR 219 CO 0.00 0.04 0.00 -0.81 0.37 0.00 0.00 175.52 175.12 1u76 n PRO 220 N -5.20 0.36 0.03 6.66 -0.04 -1.26 -2.29 135.00 133.26 1u76 n PRO 220 Ca 0.23 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.76 1u76 n PRO 220 Cb 0.72 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.83 1u76 n PRO 220 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u76 n LEU 221 N -0.75 0.45 -3.66 1.53 4.77 0.75 -4.98 117.00 115.12 1u76 n LEU 221 Ca 0.04 0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 56.05 1u76 n LEU 221 Cb 0.02 0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1u76 n LEU 221 CO 0.03 0.01 0.20 -0.55 -1.33 0.00 0.00 177.39 175.76 1u76 s SER 222 N -5.14 -0.40 0.29 -1.43 0.15 -0.97 -4.67 113.70 101.54 1u76 s SER 222 Ca -0.05 0.38 0.09 0.00 0.70 0.00 0.00 55.95 57.07 1u76 s SER 222 Cb 0.11 0.43 0.45 0.00 -1.71 0.00 0.00 66.02 65.30 1u76 s SER 222 CO 0.84 -0.50 1.68 0.28 1.20 0.00 0.00 173.24 176.73 1u76 h SER 223 N 3.57 0.12 -3.29 5.45 0.02 -1.91 -3.42 113.55 114.09 1u76 h SER 223 Ca -0.28 -0.06 -0.44 0.00 -0.84 0.00 0.00 61.79 60.16 1u76 h SER 223 Cb 1.16 -0.03 -0.14 0.00 0.14 0.00 0.00 62.40 63.53 1u76 h SER 223 CO 0.39 0.60 -0.69 0.42 -1.14 0.00 0.00 176.83 176.41 1u76 s THR 224 N -3.92 1.49 -0.02 -2.27 -4.23 -1.26 -0.65 115.64 104.78 1u76 s THR 224 Ca -0.03 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.31 1u76 s THR 224 Cb 0.13 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1u76 s THR 224 CO 0.76 -0.41 0.10 0.54 -0.54 0.00 0.00 174.62 175.07 1u76 s VAL 225 N -3.12 0.04 -0.06 2.29 0.11 -0.30 -4.50 120.40 114.85 1u76 s VAL 225 Ca 0.26 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1u76 s VAL 225 Cb 0.03 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1u76 s VAL 225 CO 0.09 -0.17 -0.14 0.42 -3.33 0.00 0.00 175.10 171.97 1u76 s THR 226 N -0.54 3.09 -0.15 5.04 -4.23 -0.99 -1.41 115.64 116.46 1u76 s THR 226 Ca -0.06 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.73 1u76 s THR 226 Cb -0.04 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 1u76 s THR 226 CO 0.00 0.58 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.82 1u76 s LEU 227 N -0.55 2.97 -0.23 4.79 1.43 0.24 -2.15 118.68 125.17 1u76 s LEU 227 Ca 0.08 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1u76 s LEU 227 Cb -0.12 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.46 1u76 s LEU 227 CO 0.01 0.16 -0.11 -0.44 0.23 0.00 0.00 176.35 176.20 1u76 s SER 228 N 0.42 3.96 0.43 2.29 0.01 -0.20 0.16 113.70 120.77 1u76 s SER 228 Ca -0.07 -1.16 0.06 0.00 1.31 0.00 0.00 55.95 56.10 1u76 s SER 228 Cb -0.15 -1.42 -0.06 0.00 0.21 0.00 0.00 66.02 64.60 1u76 s SER 228 CO 0.04 -0.16 0.08 -0.04 0.41 0.00 0.00 173.24 173.57 1u76 s MET 229 N 1.23 2.08 -0.21 12.44 -1.94 -0.28 -1.14 119.30 131.48 1u76 s MET 229 Ca -0.05 -2.06 -0.30 0.00 -1.71 0.00 0.00 55.69 51.57 1u76 s MET 229 Cb -0.18 -1.75 0.15 0.00 2.01 0.00 0.00 34.83 35.06 1u76 s MET 229 CO -0.07 -0.13 1.15 0.45 -0.01 0.00 0.00 175.02 176.41 1u76 s SER 230 N -3.81 -0.23 0.11 3.03 0.15 -1.26 -2.23 113.70 109.46 1u76 s SER 230 Ca 0.33 0.25 -0.35 0.00 0.70 0.00 0.00 55.95 56.88 1u76 s SER 230 Cb 0.07 0.19 -0.14 0.00 -1.71 0.00 0.00 66.02 64.42 1u76 s SER 230 CO 0.18 -0.21 1.57 0.00 1.20 0.00 0.00 173.24 175.97 1u76 n ALA 231 N 0.63 0.86 -3.83 5.45 0.00 -1.26 -3.12 120.51 119.25 1u76 n ALA 231 Ca -0.06 0.44 -0.26 0.00 0.00 0.00 0.00 53.44 53.57 1u76 n ALA 231 Cb 0.58 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.73 1u76 n ALA 231 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u76 n ASP 232 N 3.60 -1.62 -3.77 0.00 2.03 -1.26 -5.00 116.55 110.54 1u76 n ASP 232 Ca 0.18 -0.97 -0.10 0.00 0.52 0.00 0.00 54.79 54.43 1u76 n ASP 232 Cb 0.27 -3.37 -0.05 0.00 -0.72 0.00 0.00 41.12 37.25 1u76 n ASP 232 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1u76 s VAL 233 N -3.78 0.05 0.27 5.18 -7.23 -1.18 -5.10 120.40 108.61 1u76 s VAL 233 Ca 0.11 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 1u76 s VAL 233 Cb -0.04 -1.52 -0.11 0.00 0.56 0.00 0.00 36.38 35.28 1u76 s VAL 233 CO 0.86 -0.24 1.51 -2.84 -0.31 0.00 0.00 175.10 174.09 1u76 s PRO 234 N -3.88 4.20 0.35 4.82 0.02 -1.26 -4.54 135.00 134.71 1u76 s PRO 234 Ca 0.09 2.44 -0.27 0.00 0.02 0.00 0.00 61.00 63.28 1u76 s PRO 234 Cb 0.01 -3.06 -0.09 0.00 0.02 0.00 0.00 34.50 31.38 1u76 s PRO 234 CO -0.05 -0.52 1.12 -1.17 -0.33 0.00 0.00 177.00 176.06 1u76 s LEU 235 N -0.52 4.32 -0.17 -5.54 2.96 -0.07 -4.79 118.68 114.87 1u76 s LEU 235 Ca 0.61 2.27 -0.03 0.00 -0.22 0.00 0.00 54.13 56.75 1u76 s LEU 235 Cb -0.45 -3.90 -0.02 0.00 0.50 0.00 0.00 46.19 42.32 1u76 s LEU 235 CO 0.46 -0.44 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.31 1u76 s VAL 236 N -1.37 3.67 -0.23 1.68 1.01 -0.29 -1.43 120.40 123.44 1u76 s VAL 236 Ca 0.52 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1u76 s VAL 236 Cb -0.30 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.51 1u76 s VAL 236 CO 0.38 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 175.12 1u76 s VAL 237 N 0.61 2.20 -0.06 2.92 1.01 0.29 -1.04 120.40 126.33 1u76 s VAL 237 Ca -0.03 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1u76 s VAL 237 Cb -0.15 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1u76 s VAL 237 CO 0.03 0.23 -0.18 -0.70 0.00 0.00 0.00 175.10 174.48 1u76 s GLU 238 N 1.20 1.98 -0.17 2.72 2.12 -0.92 0.32 118.70 125.96 1u76 s GLU 238 Ca -0.02 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.69 1u76 s GLU 238 Cb -0.17 -1.66 0.00 0.00 0.26 0.00 0.00 34.13 32.57 1u76 s GLU 238 CO -0.08 0.20 -0.16 0.71 -0.54 0.00 0.00 175.26 175.39 1u76 s TYR 239 N 0.19 2.79 0.27 5.30 1.51 -0.19 -2.34 117.35 124.88 1u76 s TYR 239 Ca -0.08 -1.22 -0.28 0.00 -1.01 0.00 0.00 57.07 54.48 1u76 s TYR 239 Cb -0.13 -1.92 -0.09 0.00 -0.11 0.00 0.00 41.96 39.71 1u76 s TYR 239 CO 0.03 -0.59 0.93 0.15 -1.11 0.00 0.00 175.55 174.96 1u76 s LYS 240 N 1.02 4.72 -0.82 -0.62 -0.14 -1.26 -1.04 119.74 121.60 1u76 s LYS 240 Ca -0.01 1.39 0.01 0.00 -1.36 0.00 0.00 55.97 56.00 1u76 s LYS 240 Cb -0.15 -3.09 0.24 0.00 -1.68 0.00 0.00 37.83 33.16 1u76 s LYS 240 CO -0.04 0.43 0.88 -0.89 -0.76 0.00 0.00 175.35 174.97 1u76 n ILE 241 N 1.12 3.09 0.00 2.17 5.41 0.25 -4.39 119.36 127.02 1u76 n ILE 241 Ca -0.01 -5.29 0.00 0.00 1.00 0.00 0.00 62.75 58.45 1u76 n ILE 241 Cb 0.48 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 1u76 n ILE 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u76 n ALA 242 N 1.55 0.00 -0.13 -1.39 0.00 -1.26 0.44 120.51 119.73 1u76 n ALA 242 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1u76 n ALA 242 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1u76 n ALA 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u76 n ASP 243 N 0.00 0.00 -0.11 0.00 8.00 -1.26 -4.64 116.55 118.55 1u76 n ASP 243 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1u76 n ASP 243 Cb 0.00 -1.63 -0.11 0.00 -0.02 0.00 0.00 41.12 39.36 1u76 n ASP 243 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1u76 n MET 244 N -2.00 0.60 0.00 -1.24 2.81 0.17 -3.25 117.12 114.22 1u76 n MET 244 Ca 0.00 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1u76 n MET 244 Cb 0.00 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 1u76 n MET 244 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u76 n GLY 245 N 1.50 -0.41 2.14 3.03 0.00 -0.81 0.13 105.19 110.76 1u76 n GLY 245 Ca -0.42 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 1u76 n GLY 245 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1u76 n HIS 246 N 0.00 -1.67 -3.61 1.61 1.44 -0.04 -0.58 115.22 112.37 1u76 n HIS 246 Ca 0.00 -1.01 -0.21 0.00 -2.01 0.00 0.00 57.72 54.50 1u76 n HIS 246 Cb 0.00 0.50 -0.16 0.00 0.12 0.00 0.00 29.99 30.45 1u76 n HIS 246 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1u76 s LEU 247 N 0.00 0.09 -0.11 2.39 2.96 -0.21 -0.91 118.68 122.90 1u76 s LEU 247 Ca 0.10 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1u76 s LEU 247 Cb -0.03 0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.70 1u76 s LEU 247 CO 0.06 -0.30 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.13 1u76 s LYS 248 N 2.23 3.12 -0.18 1.98 1.02 0.93 -1.03 119.74 127.81 1u76 s LYS 248 Ca 0.04 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1u76 s LYS 248 Cb -0.14 -2.58 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1u76 s LYS 248 CO -0.08 0.36 -0.17 0.71 -0.92 0.00 0.00 175.35 175.26 1u76 s TYR 249 N -0.03 2.81 -0.22 3.18 2.02 0.15 0.09 117.35 125.34 1u76 s TYR 249 Ca -0.03 -1.47 -0.07 0.00 -0.37 0.00 0.00 57.07 55.13 1u76 s TYR 249 Cb -0.14 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1u76 s TYR 249 CO 0.04 -0.73 0.07 0.71 -1.57 0.00 0.00 175.55 174.06 1u76 s TYR 250 N 1.28 3.14 -0.14 2.71 1.51 0.88 -0.55 117.35 126.19 1u76 s TYR 250 Ca 0.04 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1u76 s TYR 250 Cb -0.13 -2.17 -0.00 0.00 -0.11 0.00 0.00 41.96 39.54 1u76 s TYR 250 CO -0.10 -0.15 -0.16 -1.17 -1.11 0.00 0.00 175.55 172.86 1u76 s LEU 251 N 1.12 2.48 0.26 -1.29 2.96 -0.51 -0.51 118.68 123.19 1u76 s LEU 251 Ca 0.04 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.21 1u76 s LEU 251 Cb -0.14 -1.55 -0.09 0.00 0.50 0.00 0.00 46.19 44.90 1u76 s LEU 251 CO 0.03 0.12 1.07 0.00 -1.32 0.00 0.00 176.35 176.25 1u76 s ALA 252 N 0.63 3.39 1.02 5.97 0.00 -0.10 -0.89 121.76 131.78 1u76 s ALA 252 Ca -0.09 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.56 1u76 s ALA 252 Cb -0.16 -3.31 0.20 0.00 0.00 0.00 0.00 23.12 19.85 1u76 s ALA 252 CO 0.03 -0.10 1.18 -1.25 0.00 0.00 0.00 175.76 175.62 1u76 s PRO 253 N -1.28 0.26 -0.15 0.00 0.04 -1.26 -4.85 135.00 127.77 1u76 s PRO 253 Ca 0.44 -0.02 -0.08 0.00 0.04 0.00 0.00 61.00 61.38 1u76 s PRO 253 Cb -0.31 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1u76 s PRO 253 CO 0.39 -2.73 0.13 0.15 0.04 0.00 0.00 177.00 174.98 1u76 s LYS 254 N -5.49 3.71 0.22 4.56 1.02 0.24 -5.01 119.74 118.99 1u76 s LYS 254 Ca 0.69 -0.17 0.06 0.00 0.02 0.00 0.00 55.97 56.58 1u76 s LYS 254 Cb -0.10 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1u76 s LYS 254 CO 0.54 0.60 0.17 0.42 -0.92 0.00 0.00 175.35 176.16 1u76 s ILE 255 N -0.52 4.44 0.06 2.17 1.09 -1.26 -4.50 121.20 122.67 1u76 s ILE 255 Ca 0.12 -1.30 -0.14 0.00 -1.10 0.00 0.00 60.65 58.24 1u76 s ILE 255 Cb -0.12 -3.35 -0.06 0.00 -1.06 0.00 0.00 42.46 37.87 1u76 s ILE 255 CO 0.02 -0.26 0.45 -1.83 -0.10 0.00 0.00 174.94 173.21 1u76 s GLU 256 N -3.57 3.91 0.00 2.79 1.03 -1.26 -5.18 118.70 116.42 1u76 s GLU 256 Ca 0.32 0.39 0.22 0.00 0.03 0.00 0.00 54.97 55.93 1u76 s GLU 256 Cb -0.09 -3.11 0.18 0.00 -0.80 0.00 0.00 34.13 30.31 1u76 s GLU 256 CO 0.24 0.61 1.20 -0.25 -1.33 0.00 0.00 175.26 175.74