#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 3.62 -0.30 1.12 5.36 -0.72 -3.18 117.98 123.88 1u76 s PHE 2 Ca 0.00 0.99 -0.05 0.00 -0.96 0.00 0.00 56.93 56.90 1u76 s PHE 2 Cb 0.00 -2.31 0.17 0.00 -0.34 0.00 0.00 43.02 40.54 1u76 s PHE 2 CO 0.00 0.48 0.67 -2.00 -1.46 0.00 0.00 175.22 172.91 1u76 s GLU 3 N -1.83 0.53 -0.03 10.12 2.12 0.03 -0.67 118.70 128.96 1u76 s GLU 3 Ca 0.35 1.08 0.04 0.00 0.36 0.00 0.00 54.97 56.79 1u76 s GLU 3 Cb -0.15 0.62 -0.00 0.00 0.26 0.00 0.00 34.13 34.86 1u76 s GLU 3 CO 0.18 -0.43 -0.14 0.00 -0.54 0.00 0.00 175.26 174.34 1u76 s ALA 4 N 2.86 1.22 -0.23 6.30 0.00 0.40 -1.71 121.76 130.60 1u76 s ALA 4 Ca 0.10 -0.54 -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 22.58 1u76 s ALA 4 CO -0.19 0.22 -0.06 0.50 0.00 0.00 0.00 175.76 176.23 1u76 s ARG 5 N 0.07 3.15 -0.30 0.00 3.52 0.69 -0.83 118.95 125.25 1u76 s ARG 5 Ca -0.03 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1u76 s ARG 5 Cb -0.10 -2.98 0.06 0.00 -1.56 0.00 0.00 34.95 30.38 1u76 s ARG 5 CO 0.01 -0.28 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.03 1u76 s LEU 6 N 1.41 3.92 0.12 -0.88 2.96 0.11 -1.26 118.68 125.07 1u76 s LEU 6 Ca 0.04 -1.48 -0.15 0.00 -0.22 0.00 0.00 54.13 52.32 1u76 s LEU 6 Cb -0.15 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 1u76 s LEU 6 CO -0.04 -0.27 1.60 0.58 -1.32 0.00 0.00 176.35 176.90 1u76 h VAL 7 N 6.59 1.24 -0.70 1.68 2.07 -1.90 -1.83 116.25 123.40 1u76 h VAL 7 Ca -0.18 -0.86 -0.53 0.00 0.82 0.00 0.00 66.70 65.95 1u76 h VAL 7 Cb 1.05 1.04 -0.11 0.00 -1.52 0.00 0.00 31.29 31.76 1u76 h VAL 7 CO 0.52 0.30 1.35 0.00 0.02 0.00 0.00 177.57 179.75 1u76 n GLN 8 N -4.53 3.15 0.04 1.57 6.02 -1.26 -4.39 117.38 117.98 1u76 n GLN 8 Ca -0.01 -2.36 0.18 0.00 -0.01 0.00 0.00 57.00 54.80 1u76 n GLN 8 Cb 0.23 -2.36 0.40 0.00 1.02 0.00 0.00 30.24 29.54 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 5.11 0.00 1.72 1.08 0.00 -1.61 0.30 103.07 109.66 1u76 h GLY 9 Ca 0.52 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.87 1u76 h GLY 9 CO 1.06 0.00 0.12 1.48 0.00 0.00 0.00 176.54 179.20 1u76 h SER 10 N 0.00 0.00 -0.41 0.19 4.64 -1.82 0.60 113.55 116.74 1u76 h SER 10 Ca 0.26 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1u76 h SER 10 Cb 2.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.24 1u76 h SER 10 CO -0.00 0.00 0.18 0.40 -0.87 0.00 0.00 176.83 176.54 1u76 h ILE 11 N 0.00 1.19 -0.66 0.95 2.04 -0.77 0.28 117.51 120.54 1u76 h ILE 11 Ca 0.04 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1u76 h ILE 11 Cb 0.28 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1u76 h ILE 11 CO -0.00 0.21 0.16 0.25 0.00 0.00 0.00 178.15 178.76 1u76 h LEU 12 N 0.52 0.99 -0.05 1.44 5.85 -1.08 -0.90 115.31 122.08 1u76 h LEU 12 Ca 0.14 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1u76 h LEU 12 Cb 0.16 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1u76 h LEU 12 CO -0.01 0.95 0.03 0.11 -0.34 0.00 0.00 178.44 179.18 1u76 h LYS 13 N 1.00 0.08 -0.83 1.25 1.57 -1.10 -2.18 116.57 116.36 1u76 h LYS 13 Ca 0.21 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1u76 h LYS 13 Cb 0.36 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1u76 h LYS 13 CO 0.00 0.12 0.55 0.87 -0.57 0.00 0.00 179.45 180.42 1u76 h LYS 14 N 0.02 1.08 -0.05 3.15 1.57 -0.69 -1.95 116.57 119.69 1u76 h LYS 14 Ca 0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1u76 h LYS 14 Cb 0.06 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1u76 h LYS 14 CO -0.00 0.71 0.03 0.28 -0.57 0.00 0.00 179.45 179.90 1u76 h VAL 15 N 1.11 1.07 0.00 0.50 2.07 -0.71 -2.52 116.25 117.77 1u76 h VAL 15 Ca 0.31 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 1u76 h VAL 15 Cb -0.11 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1u76 h VAL 15 CO -0.07 0.06 -0.31 -0.07 0.02 0.00 0.00 177.57 177.20 1u76 h LEU 16 N -0.00 0.00 -0.33 2.57 4.07 -1.16 -0.41 115.31 120.04 1u76 h LEU 16 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1u76 h LEU 16 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1u76 h LEU 16 CO -0.00 0.31 0.00 -0.62 -1.08 0.00 0.00 178.44 177.05 1u76 n GLU 17 N -4.01 0.13 0.00 1.13 -0.58 -0.76 -1.12 120.64 115.44 1u76 n GLU 17 Ca -0.02 0.30 0.10 0.00 -0.42 0.00 0.00 57.16 57.13 1u76 n GLU 17 Cb 0.37 -1.73 -0.11 0.00 -0.57 0.00 0.00 31.44 29.41 1u76 n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u76 n ALA 18 N -1.68 4.62 -0.03 0.62 0.00 -0.20 -4.55 120.51 119.28 1u76 n ALA 18 Ca 0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 53.44 52.84 1u76 n ALA 18 Cb 0.26 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.33 1.88 -0.30 0.00 4.77 -0.94 -4.75 117.00 116.33 1u76 n LEU 19 Ca 0.05 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.15 1u76 n LEU 19 Cb 0.34 -0.09 0.31 0.00 -2.33 0.00 0.00 43.42 41.65 1u76 n LEU 19 CO 0.41 0.42 0.96 0.07 -1.33 0.00 0.00 177.39 177.92 1u76 h LYS 20 N 0.00 0.21 0.00 3.23 2.10 -1.31 0.57 116.57 121.38 1u76 h LYS 20 Ca -0.13 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 1u76 h LYS 20 Cb 1.24 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1u76 h LYS 20 CO -0.01 0.14 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.32 1u76 n ASP 21 N -5.21 0.61 -0.10 7.07 8.00 -1.26 -3.73 116.55 121.93 1u76 n ASP 21 Ca 0.22 0.55 -0.13 0.00 0.71 0.00 0.00 54.79 56.14 1u76 n ASP 21 Cb 0.71 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.07 1.85 -4.22 0.64 7.94 0.08 -4.97 117.00 116.26 1u76 n LEU 22 Ca 0.06 -0.08 -0.30 0.00 -1.11 0.00 0.00 56.01 54.58 1u76 n LEU 22 Cb 0.41 -0.33 -0.17 0.00 0.53 0.00 0.00 43.42 43.86 1u76 n LEU 22 CO 0.30 0.72 -0.55 -0.63 -1.11 0.00 0.00 177.39 176.12 1u76 s ILE 23 N -2.45 1.89 -0.15 1.96 1.01 0.18 -3.28 121.20 120.37 1u76 s ILE 23 Ca -0.22 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.36 1u76 s ILE 23 Cb 0.07 -1.61 -0.07 0.00 0.01 0.00 0.00 42.46 40.86 1u76 s ILE 23 CO 0.60 0.53 -0.03 0.78 0.00 0.00 0.00 174.94 176.82 1u76 h ASN 24 N 6.30 0.00 -3.22 3.58 2.35 -1.85 -3.38 115.58 119.35 1u76 h ASN 24 Ca -0.29 -0.14 -0.59 0.00 -0.55 0.00 0.00 56.30 54.73 1u76 h ASN 24 Cb 1.19 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 39.21 1u76 h ASN 24 CO 0.47 0.85 -0.83 -1.61 -1.65 0.00 0.00 177.43 174.66 1u76 s GLU 25 N -2.13 2.23 0.35 0.81 2.02 -1.26 -1.16 118.70 119.55 1u76 s GLU 25 Ca -0.15 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 54.32 1u76 s GLU 25 Cb 0.02 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.26 1u76 s GLU 25 CO 0.27 -0.11 0.08 0.00 0.02 0.00 0.00 175.26 175.52 1u76 s ALA 26 N 1.13 2.50 -0.12 5.21 0.00 0.32 -4.96 121.76 125.84 1u76 s ALA 26 Ca -0.03 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.21 1u76 s ALA 26 Cb -0.14 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.70 1u76 s ALA 26 CO -0.04 -0.33 -0.21 0.00 0.00 0.00 0.00 175.76 175.18 1u76 s TRP 28 N 0.51 3.27 -0.28 0.00 0.52 -0.21 -4.39 118.94 118.36 1u76 s TRP 28 Ca -0.13 -1.08 -0.26 0.00 0.02 0.00 0.00 56.10 54.65 1u76 s TRP 28 Cb -0.17 -2.84 0.01 0.00 -1.15 0.00 0.00 33.47 29.32 1u76 s TRP 28 CO 0.05 -0.75 0.92 -0.51 0.02 0.00 0.00 176.95 176.68 1u76 s ASP 29 N 2.07 6.85 0.05 2.95 1.01 0.48 -1.67 116.67 128.41 1u76 s ASP 29 Ca 0.03 0.97 0.03 0.00 0.71 0.00 0.00 52.55 54.30 1u76 s ASP 29 Cb -0.22 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1u76 s ASP 29 CO 0.06 -0.68 -0.01 -0.63 0.21 0.00 0.00 175.17 174.12 1u76 s ILE 30 N 3.18 4.03 0.18 0.77 -1.09 0.64 -0.72 121.20 128.19 1u76 s ILE 30 Ca 0.39 -0.82 -0.21 0.00 -2.23 0.00 0.00 60.65 57.78 1u76 s ILE 30 Cb -0.14 -2.85 0.07 0.00 -1.58 0.00 0.00 42.46 37.96 1u76 s ILE 30 CO 0.11 0.25 1.01 -1.54 -1.23 0.00 0.00 174.94 173.54 1u76 n SER 31 N 1.00 -1.71 0.23 3.58 3.41 -1.19 -2.01 113.62 116.92 1u76 n SER 31 Ca -0.13 -1.90 0.16 0.00 -0.26 0.00 0.00 58.87 56.74 1u76 n SER 31 Cb 0.52 2.78 0.71 0.00 -0.26 0.00 0.00 64.21 67.96 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 1.94 0.00 0.21 4.04 4.64 -1.96 -2.33 113.55 120.09 1u76 h SER 32 Ca -0.27 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.80 1u76 h SER 32 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1u76 h SER 32 CO 0.36 0.00 -1.05 0.77 -0.87 0.00 0.00 176.83 176.04 1u76 h SER 33 N 0.00 0.71 -3.08 4.97 4.64 -1.97 -3.44 113.55 115.39 1u76 h SER 33 Ca 0.00 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1u76 h SER 33 Cb 0.29 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1u76 h SER 33 CO 0.00 1.40 0.00 0.61 -0.87 0.00 0.00 176.83 177.97 1u76 n GLY 34 N 1.10 0.20 3.82 -0.77 0.00 -0.88 -0.96 105.19 107.70 1u76 n GLY 34 Ca -0.09 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.48 4.50 -0.01 1.61 1.01 0.81 -3.18 120.40 123.66 1u76 s VAL 35 Ca 0.00 1.31 -0.15 0.00 0.00 0.00 0.00 61.98 63.14 1u76 s VAL 35 Cb 0.00 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1u76 s VAL 35 CO 0.00 -0.12 0.31 0.21 0.00 0.00 0.00 175.10 175.51 1u76 s ASN 36 N -2.04 -0.19 -0.16 3.32 3.84 0.10 -0.76 114.94 119.06 1u76 s ASN 36 Ca 0.54 0.06 -0.10 0.00 0.21 0.00 0.00 52.86 53.57 1u76 s ASN 36 Cb -0.12 0.32 0.05 0.00 -0.55 0.00 0.00 41.25 40.95 1u76 s ASN 36 CO 0.17 -0.47 0.39 -0.22 -2.79 0.00 0.00 177.10 174.19 1u76 s LEU 37 N -1.42 0.14 -0.03 3.21 0.20 -0.65 -0.39 118.68 119.75 1u76 s LEU 37 Ca -0.12 0.83 -0.01 0.00 0.69 0.00 0.00 54.13 55.52 1u76 s LEU 37 Cb -0.05 1.31 0.03 0.00 -0.43 0.00 0.00 46.19 47.05 1u76 s LEU 37 CO 0.03 -0.17 0.04 -1.58 -0.29 0.00 0.00 176.35 174.38 1u76 s GLN 38 N 0.98 -0.01 -0.21 1.98 0.74 -1.25 0.51 119.66 122.41 1u76 s GLN 38 Ca -0.06 0.25 -0.24 0.00 0.05 0.00 0.00 55.36 55.35 1u76 s GLN 38 Cb -0.07 -0.39 0.06 0.00 1.10 0.00 0.00 33.01 33.72 1u76 s GLN 38 CO -0.08 -0.23 0.65 0.45 -0.55 0.00 0.00 175.29 175.54 1u76 s SER 39 N 1.50 -0.67 0.79 6.67 0.15 -0.53 -4.80 113.70 116.82 1u76 s SER 39 Ca -0.04 1.19 -0.11 0.00 0.70 0.00 0.00 55.95 57.69 1u76 s SER 39 Cb -0.13 1.18 0.07 0.00 -1.71 0.00 0.00 66.02 65.43 1u76 s SER 39 CO -0.03 -0.30 1.09 -0.04 1.20 0.00 0.00 173.24 175.15 1u76 s MET 40 N 0.03 2.10 0.86 5.44 -1.94 -1.26 -0.67 119.30 123.85 1u76 s MET 40 Ca -0.02 0.81 -0.08 0.00 -1.71 0.00 0.00 55.69 54.69 1u76 s MET 40 Cb -0.04 -1.91 0.18 0.00 2.01 0.00 0.00 34.83 35.07 1u76 s MET 40 CO 0.03 -1.65 1.17 0.16 -0.01 0.00 0.00 175.02 174.72 1u76 s ASP 41 N -3.71 3.60 0.08 3.03 -4.77 -0.30 -4.84 116.67 109.76 1u76 s ASP 41 Ca 0.61 -0.18 -0.35 0.00 -3.30 0.00 0.00 52.55 49.33 1u76 s ASP 41 Cb -0.15 0.04 -0.17 0.00 -1.09 0.00 0.00 42.92 41.54 1u76 s ASP 41 CO 0.55 -2.39 1.55 0.28 0.70 0.00 0.00 175.17 175.86 1u76 h SER 42 N -1.12 -1.39 0.00 2.11 0.02 -1.91 -2.13 113.55 109.13 1u76 h SER 42 Ca -0.39 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1u76 h SER 42 Cb 1.24 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.24 1u76 h SER 42 CO 0.35 -0.66 0.20 0.28 -1.14 0.00 0.00 176.83 175.87 1u76 h SER 43 N -0.99 0.00 -5.36 3.07 0.02 -1.94 -3.45 113.55 104.90 1u76 h SER 43 Ca -0.06 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.49 1u76 h SER 43 Cb 0.86 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.52 1u76 h SER 43 CO -0.07 0.00 -0.65 1.41 -1.14 0.00 0.00 176.83 176.38 1u76 n HIS 44 N -2.24 -2.58 0.16 3.45 8.25 -0.80 -4.87 115.22 116.59 1u76 n HIS 44 Ca -0.01 0.86 0.03 0.00 -0.26 0.00 0.00 57.72 58.34 1u76 n HIS 44 Cb 0.23 -4.83 -0.04 0.00 1.12 0.00 0.00 29.99 26.47 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 -4.84 0.00 -4.10 1.59 0.31 -1.26 -4.97 118.33 105.06 1u76 n VAL 45 Ca -0.03 -0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 63.94 1u76 n VAL 45 Cb 0.58 0.69 -0.08 0.00 -0.91 0.00 0.00 33.84 34.12 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 -2.15 0.04 -0.04 4.52 1.04 -1.26 -0.93 113.70 114.93 1u76 s SER 46 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1u76 s SER 46 Cb 0.05 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1u76 s SER 46 CO 0.27 -0.97 -0.01 -0.22 0.98 0.00 0.00 173.24 173.28 1u76 s LEU 47 N -3.09 1.17 -0.14 2.42 2.96 -0.07 -1.15 118.68 120.78 1u76 s LEU 47 Ca 0.31 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1u76 s LEU 47 Cb 0.04 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 1u76 s LEU 47 CO 0.10 -0.09 0.05 -0.69 -1.32 0.00 0.00 176.35 174.40 1u76 s VAL 48 N 1.06 4.72 -0.22 1.68 1.01 0.15 -0.55 120.40 128.26 1u76 s VAL 48 Ca -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1u76 s VAL 48 Cb -0.14 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1u76 s VAL 48 CO -0.01 0.54 -0.04 -1.58 0.00 0.00 0.00 175.10 174.00 1u76 s GLN 49 N -0.30 1.49 -0.12 2.72 -0.44 0.12 -1.45 119.66 121.69 1u76 s GLN 49 Ca 0.08 -0.85 -0.05 0.00 -2.50 0.00 0.00 55.36 52.04 1u76 s GLN 49 Cb -0.12 -2.45 -0.04 0.00 -1.64 0.00 0.00 33.01 28.76 1u76 s GLN 49 CO 0.02 -0.58 0.06 -1.17 0.50 0.00 0.00 175.29 174.11 1u76 s LEU 50 N 1.49 3.87 -0.21 3.68 2.96 0.18 0.28 118.68 130.93 1u76 s LEU 50 Ca -0.04 0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1u76 s LEU 50 Cb -0.18 -1.92 0.07 0.00 0.50 0.00 0.00 46.19 44.65 1u76 s LEU 50 CO -0.07 0.34 0.07 -0.89 -1.32 0.00 0.00 176.35 174.48 1u76 s THR 51 N -0.66 0.35 -0.45 3.68 2.01 -0.05 -1.64 115.64 118.87 1u76 s THR 51 Ca 0.11 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1u76 s THR 51 Cb -0.12 -0.98 0.12 0.00 0.01 0.00 0.00 72.50 71.53 1u76 s THR 51 CO 0.02 -0.34 0.21 -0.76 -0.69 0.00 0.00 174.62 173.06 1u76 s LEU 52 N 1.93 4.86 0.33 4.42 1.43 0.07 -1.00 118.68 130.71 1u76 s LEU 52 Ca 0.02 -2.47 -0.29 0.00 -1.03 0.00 0.00 54.13 50.37 1u76 s LEU 52 Cb -0.17 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 44.23 1u76 s LEU 52 CO -0.13 -0.38 1.27 -0.13 0.23 0.00 0.00 176.35 177.21 1u76 s ARG 53 N 0.49 4.38 0.54 1.70 0.52 0.37 -0.14 118.95 126.81 1u76 s ARG 53 Ca 0.13 2.15 0.22 0.00 -0.52 0.00 0.00 55.73 57.71 1u76 s ARG 53 Cb -0.22 -3.07 1.40 0.00 0.52 0.00 0.00 34.95 33.58 1u76 s ARG 53 CO -0.04 -0.14 2.08 0.66 0.02 0.00 0.00 175.30 177.88 1u76 h SER 54 N 3.41 0.00 -0.73 0.23 4.64 -1.34 -1.69 113.55 118.07 1u76 h SER 54 Ca -0.49 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.90 1u76 h SER 54 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 1u76 h SER 54 CO 0.65 0.00 0.42 -0.33 -0.87 0.00 0.00 176.83 176.70 1u76 h GLU 55 N 0.00 0.73 -0.08 4.77 3.07 -1.88 -1.91 114.58 119.27 1u76 h GLU 55 Ca 0.12 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1u76 h GLU 55 Cb 0.51 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1u76 h GLU 55 CO -0.00 0.48 -0.01 0.78 -1.40 0.00 0.00 179.01 178.85 1u76 h GLY 56 N 0.75 0.12 -2.70 -3.84 0.00 -1.28 -3.43 103.07 92.69 1u76 h GLY 56 Ca 0.33 -0.05 -0.49 0.00 0.00 0.00 0.00 47.33 47.12 1u76 h GLY 56 CO -0.20 0.05 0.43 -1.36 0.00 0.00 0.00 176.54 175.46 1u76 s PHE 57 N -5.00 3.14 -2.08 5.60 0.40 -0.72 -4.90 117.98 114.43 1u76 s PHE 57 Ca -0.05 1.61 0.27 0.00 -0.60 0.00 0.00 56.93 58.16 1u76 s PHE 57 Cb 0.17 -3.19 1.53 0.00 0.51 0.00 0.00 43.02 42.03 1u76 s PHE 57 CO 0.69 -0.88 1.99 -0.25 0.70 0.00 0.00 175.22 177.48 1u76 n ASP 58 N -0.25 0.28 -2.99 1.36 8.00 -0.39 -4.56 116.55 118.00 1u76 n ASP 58 Ca 0.06 -1.21 0.04 0.00 0.71 0.00 0.00 54.79 54.39 1u76 n ASP 58 Cb 0.49 -0.01 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 -0.07 0.35 -3.53 2.01 -1.19 -4.93 115.64 106.29 1u76 s THR 59 Ca 0.41 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.48 1u76 s THR 59 Cb 0.19 -0.05 -0.03 0.00 0.01 0.00 0.00 72.50 72.63 1u76 s THR 59 CO 0.32 0.00 0.30 -0.47 -0.69 0.00 0.00 174.62 174.08 1u76 s TYR 60 N 2.64 2.84 0.00 4.92 5.04 -1.26 -0.22 117.35 131.31 1u76 s TYR 60 Ca 0.26 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.54 1u76 s TYR 60 Cb 0.02 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.46 1u76 s TYR 60 CO -0.20 0.13 0.00 -2.13 -1.34 0.00 0.00 175.55 172.00 1u76 n ARG 61 N -1.40 0.00 -3.74 4.97 0.63 -0.70 -4.92 116.66 111.51 1u76 n ARG 61 Ca -0.01 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.63 1u76 n ARG 61 Cb 0.60 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.36 1u76 n ARG 61 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1u76 h ASP 63 N 8.14 -0.23 -3.49 0.00 3.32 -1.96 -3.41 116.42 118.78 1u76 h ASP 63 Ca -0.15 -0.18 -0.67 0.00 0.02 0.00 0.00 57.03 56.05 1u76 h ASP 63 Cb 1.05 0.06 -0.19 0.00 0.22 0.00 0.00 39.33 40.47 1u76 h ASP 63 CO 0.43 0.29 -0.68 -0.60 -1.72 0.00 0.00 179.24 176.96 1u76 s ARG 64 N -2.88 3.09 0.06 3.56 3.52 -1.26 -4.84 118.95 120.20 1u76 s ARG 64 Ca -0.08 -0.52 -0.31 0.00 -0.13 0.00 0.00 55.73 54.69 1u76 s ARG 64 Cb 0.00 -2.72 -0.08 0.00 -1.56 0.00 0.00 34.95 30.58 1u76 s ARG 64 CO 0.29 0.53 1.74 -0.80 -0.81 0.00 0.00 175.30 176.25 1u76 s ASN 65 N -0.43 6.55 0.11 -2.12 0.02 -1.26 -4.68 114.94 113.13 1u76 s ASN 65 Ca 0.07 2.54 0.06 0.00 -1.02 0.00 0.00 52.86 54.51 1u76 s ASN 65 Cb -0.12 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.55 1u76 s ASN 65 CO 0.02 -0.94 -0.02 -0.76 0.02 0.00 0.00 177.10 175.42 1u76 s LEU 66 N 3.11 3.35 -0.33 0.60 1.43 -0.85 -4.97 118.68 121.02 1u76 s LEU 66 Ca 0.78 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1u76 s LEU 66 Cb -0.41 -2.08 0.11 0.00 0.03 0.00 0.00 46.19 43.84 1u76 s LEU 66 CO 0.34 0.16 0.13 0.00 0.23 0.00 0.00 176.35 177.21 1u76 s ALA 67 N -1.38 1.45 -0.49 4.21 0.00 -1.26 -0.26 121.76 124.03 1u76 s ALA 67 Ca 0.25 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 1u76 s ALA 67 Cb -0.11 -1.63 0.09 0.00 0.00 0.00 0.00 23.12 21.47 1u76 s ALA 67 CO 0.18 -1.76 0.42 -1.64 0.00 0.00 0.00 175.76 172.95 1u76 s MET 68 N 1.45 2.98 -0.51 0.00 -1.94 -0.67 -4.88 119.30 115.73 1u76 s MET 68 Ca 0.12 -1.43 -0.27 0.00 -1.71 0.00 0.00 55.69 52.39 1u76 s MET 68 Cb -0.19 -4.17 -0.02 0.00 2.01 0.00 0.00 34.83 32.46 1u76 s MET 68 CO -0.21 -1.09 1.86 0.20 -0.01 0.00 0.00 175.02 175.77 1u76 s GLY 69 N 2.82 0.36 -0.02 -0.03 0.00 -1.23 -1.04 107.32 108.17 1u76 s GLY 69 Ca 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.45 1u76 s GLY 69 CO 0.06 3.40 -0.05 0.14 0.00 0.00 0.00 173.10 176.65 1u76 s VAL 70 N 8.52 3.82 -0.56 1.40 1.01 0.25 -1.69 120.40 133.15 1u76 s VAL 70 Ca 0.73 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 1u76 s VAL 70 Cb -0.16 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.64 1u76 s VAL 70 CO 0.25 0.46 0.81 0.21 0.00 0.00 0.00 175.10 176.83 1u76 s ASN 71 N -1.26 6.25 0.62 3.32 3.04 -1.26 -0.52 114.94 125.12 1u76 s ASN 71 Ca 0.16 -0.79 0.41 0.00 0.04 0.00 0.00 52.86 52.68 1u76 s ASN 71 Cb -0.11 -2.37 2.23 0.00 -1.54 0.00 0.00 41.25 39.46 1u76 s ASN 71 CO 0.06 -1.14 2.26 -0.07 -3.04 0.00 0.00 177.10 175.17 1u76 h LEU 72 N 10.51 0.00 0.05 3.21 3.38 -1.41 -0.76 115.31 130.29 1u76 h LEU 72 Ca -0.27 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.49 1u76 h LEU 72 Cb 1.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.85 1u76 h LEU 72 CO 1.07 0.00 -0.84 0.74 0.09 0.00 0.00 178.44 179.50 1u76 h THR 73 N 0.00 1.39 -0.41 0.22 2.02 -1.84 -0.87 112.91 113.43 1u76 h THR 73 Ca 0.00 -2.26 -0.12 0.00 0.77 0.00 0.00 66.41 64.79 1u76 h THR 73 Cb 0.02 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 1u76 h THR 73 CO 0.00 0.67 -0.23 0.28 0.37 0.00 0.00 175.52 176.60 1u76 h SER 74 N -0.01 0.91 0.28 4.18 0.02 -1.72 -0.59 113.55 116.62 1u76 h SER 74 Ca -0.12 -0.42 -0.08 0.00 -0.84 0.00 0.00 61.79 60.34 1u76 h SER 74 Cb 1.55 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1u76 h SER 74 CO 0.16 1.13 -0.33 -0.03 -1.14 0.00 0.00 176.83 176.62 1u76 h MET 75 N 0.69 0.08 0.11 3.45 -1.53 -1.22 -0.20 114.93 116.32 1u76 h MET 75 Ca 0.09 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.31 1u76 h MET 75 Cb 0.80 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.85 1u76 h MET 75 CO 0.07 0.40 -0.06 1.03 0.14 0.00 0.00 176.91 178.50 1u76 h SER 76 N 0.07 -0.13 -0.13 1.39 0.87 -0.79 -0.39 113.55 114.44 1u76 h SER 76 Ca 0.01 -0.36 0.04 0.00 -1.23 0.00 0.00 61.79 60.25 1u76 h SER 76 Cb 0.62 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 1u76 h SER 76 CO 0.05 0.32 -0.20 0.11 -0.53 0.00 0.00 176.83 176.58 1u76 h LYS 77 N -0.62 -0.24 -0.46 2.24 1.57 -0.90 -1.62 116.57 116.55 1u76 h LYS 77 Ca -0.02 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1u76 h LYS 77 Cb 0.49 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1u76 h LYS 77 CO 0.03 -0.16 0.08 0.82 -0.57 0.00 0.00 179.45 179.64 1u76 h ILE 78 N -0.25 0.74 0.00 1.86 2.04 -1.03 -1.55 117.51 119.32 1u76 h ILE 78 Ca 0.10 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1u76 h ILE 78 Cb 0.40 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1u76 h ILE 78 CO -0.28 0.04 0.00 -0.07 0.00 0.00 0.00 178.15 177.84 1u76 h LEU 79 N 0.21 0.00 0.00 1.44 3.38 -0.15 -1.25 115.31 118.94 1u76 h LEU 79 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1u76 h LEU 79 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1u76 h LEU 79 CO -0.31 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.51 1u76 n LYS 80 N -2.45 0.38 -0.46 1.13 5.02 -0.58 -2.72 118.16 118.48 1u76 n LYS 80 Ca -0.01 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1u76 n LYS 80 Cb 0.10 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.89 2.47 0.60 0.00 0.00 -1.10 -5.04 121.76 116.80 1u76 s ALA 82 Ca 0.31 -1.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 1u76 s ALA 82 Cb 0.22 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1u76 s ALA 82 CO 0.11 0.51 1.04 0.20 0.00 0.00 0.00 175.76 177.62 1u76 s GLY 83 N -0.55 1.96 0.00 0.00 0.00 -1.26 -4.88 107.32 102.58 1u76 s GLY 83 Ca 0.08 0.23 0.11 0.00 0.00 0.00 0.00 44.72 45.14 1u76 s GLY 83 CO 0.01 0.54 1.09 0.70 0.00 0.00 0.00 173.10 175.43 1u76 n ASN 84 N -2.26 0.00 0.00 1.64 3.02 -1.26 -2.49 115.26 113.91 1u76 n ASN 84 Ca 0.08 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 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 -0.88 6.03 -1.16 3.52 4.07 -1.26 -4.20 120.64 126.76 1u76 n GLU 85 Ca 0.08 -0.01 -0.32 0.00 -0.06 0.00 0.00 57.16 56.85 1u76 n GLU 85 Cb 0.04 -0.45 0.11 0.00 -0.06 0.00 0.00 31.44 31.08 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 -0.86 3.91 -0.25 4.31 1.01 -1.04 -4.49 116.67 119.26 1u76 s ASP 86 Ca 0.00 2.13 -0.15 0.00 0.71 0.00 0.00 52.55 55.24 1u76 s ASP 86 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1u76 s ASP 86 CO 0.00 -2.44 0.40 -0.63 0.21 0.00 0.00 175.17 172.71 1u76 s ILE 87 N -2.48 5.17 -0.04 0.77 1.01 0.15 -3.65 121.20 122.13 1u76 s ILE 87 Ca 0.68 0.64 -0.05 0.00 0.00 0.00 0.00 60.65 61.91 1u76 s ILE 87 Cb -0.23 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1u76 s ILE 87 CO 0.52 0.17 0.20 -0.63 0.00 0.00 0.00 174.94 175.19 1u76 s ILE 88 N 1.95 5.41 -0.19 2.92 1.01 -0.69 -0.47 121.20 131.14 1u76 s ILE 88 Ca 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 1u76 s ILE 88 Cb -0.16 -3.51 0.06 0.00 0.01 0.00 0.00 42.46 38.86 1u76 s ILE 88 CO 0.09 0.42 0.01 -0.89 0.00 0.00 0.00 174.94 174.58 1u76 s THR 89 N -1.23 0.71 0.14 2.92 2.01 0.17 -0.71 115.64 119.64 1u76 s THR 89 Ca 0.24 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 1u76 s THR 89 Cb -0.13 -1.13 -0.08 0.00 0.01 0.00 0.00 72.50 71.18 1u76 s THR 89 CO 0.14 -0.13 0.72 -0.76 -0.69 0.00 0.00 174.62 173.90 1u76 s LEU 90 N 1.78 4.57 -0.23 4.42 1.43 -0.01 -2.34 118.68 128.29 1u76 s LEU 90 Ca -0.01 1.53 -0.10 0.00 -1.03 0.00 0.00 54.13 54.52 1u76 s LEU 90 Cb -0.17 -3.18 0.09 0.00 0.03 0.00 0.00 46.19 42.96 1u76 s LEU 90 CO -0.07 0.22 0.53 -0.60 0.23 0.00 0.00 176.35 176.66 1u76 s ARG 91 N -1.09 0.49 0.26 1.70 3.52 -0.81 -0.45 118.95 122.57 1u76 s ARG 91 Ca 0.34 1.13 0.03 0.00 -0.13 0.00 0.00 55.73 57.09 1u76 s ARG 91 Cb -0.22 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.46 1u76 s ARG 91 CO 0.24 -0.20 0.04 0.00 -0.81 0.00 0.00 175.30 174.58 1u76 s ALA 92 N 2.19 1.90 -0.14 6.12 0.00 0.15 -0.94 121.76 131.06 1u76 s ALA 92 Ca -0.06 -1.87 0.01 0.00 0.00 0.00 0.00 51.96 50.04 1u76 s ALA 92 Cb -0.10 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1u76 s ALA 92 CO -0.16 -0.33 -0.16 -1.21 0.00 0.00 0.00 175.76 173.89 1u76 s GLU 93 N -3.93 2.45 0.59 0.00 0.41 -1.26 -1.76 118.70 115.21 1u76 s GLU 93 Ca 0.33 -0.63 0.29 0.00 -0.41 0.00 0.00 54.97 54.55 1u76 s GLU 93 Cb 0.07 -2.12 1.39 0.00 -1.78 0.00 0.00 34.13 31.69 1u76 s GLU 93 CO 0.12 -0.13 1.79 -0.44 -0.49 0.00 0.00 175.26 176.10 1u76 h ASP 94 N 7.69 0.00 0.31 -0.19 3.32 -1.94 0.23 116.42 125.84 1u76 h ASP 94 Ca -0.35 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.62 1u76 h ASP 94 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1u76 h ASP 94 CO 0.53 0.00 -1.76 0.59 -1.72 0.00 0.00 179.24 176.88 1u76 n ASN 95 N -3.62 0.30 -4.79 6.45 3.02 -1.26 -4.93 115.26 110.43 1u76 n ASN 95 Ca 0.12 0.12 -0.38 0.00 -0.03 0.00 0.00 54.58 54.41 1u76 n ASN 95 Cb 0.85 1.28 -0.06 0.00 -0.61 0.00 0.00 39.78 41.24 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 -3.27 3.59 -0.44 5.41 0.00 0.82 -4.97 121.76 122.91 1u76 s ALA 96 Ca -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1u76 s ALA 96 Cb 0.11 -2.52 0.19 0.00 0.00 0.00 0.00 23.12 20.90 1u76 s ALA 96 CO 0.86 0.27 2.32 -3.47 0.00 0.00 0.00 175.76 175.75 1u76 n ASP 97 N 2.56 6.67 -3.76 0.00 2.03 -1.26 -4.51 116.55 118.29 1u76 n ASP 97 Ca -0.11 -3.25 -0.13 0.00 0.52 0.00 0.00 54.79 51.83 1u76 n ASP 97 Cb 0.52 -1.12 -0.11 0.00 -0.72 0.00 0.00 41.12 39.69 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 -2.71 -0.00 0.04 5.18 -1.32 -1.26 -1.38 115.64 114.18 1u76 s THR 98 Ca 0.47 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.97 1u76 s THR 98 Cb 0.34 -0.48 -0.04 0.00 -1.51 0.00 0.00 72.50 70.81 1u76 s THR 98 CO -0.11 0.00 0.06 -0.22 -2.21 0.00 0.00 174.62 172.13 1u76 s LEU 99 N 0.19 3.75 -0.13 9.08 2.96 0.08 -4.37 118.68 130.24 1u76 s LEU 99 Ca -0.00 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1u76 s LEU 99 Cb -0.02 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 1u76 s LEU 99 CO 0.00 0.22 -0.14 0.00 -1.32 0.00 0.00 176.35 175.11 1u76 s ALA 100 N -1.28 2.58 -0.27 5.97 0.00 -0.11 0.37 121.76 129.02 1u76 s ALA 100 Ca 0.26 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 1u76 s ALA 100 Cb -0.12 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.85 1u76 s ALA 100 CO 0.18 0.26 -0.02 -0.51 0.00 0.00 0.00 175.76 175.66 1u76 s LEU 101 N 0.33 3.52 -0.16 0.00 1.02 0.32 -1.92 118.68 121.80 1u76 s LEU 101 Ca -0.11 -0.97 -0.02 0.00 0.02 0.00 0.00 54.13 53.05 1u76 s LEU 101 Cb -0.16 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 1u76 s LEU 101 CO 0.06 -0.18 -0.10 -0.69 0.02 0.00 0.00 176.35 175.46 1u76 s VAL 102 N 1.33 3.21 -0.15 -1.59 1.01 -0.99 0.76 120.40 123.98 1u76 s VAL 102 Ca -0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1u76 s VAL 102 Cb -0.18 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1u76 s VAL 102 CO -0.02 0.49 -0.11 -0.36 0.00 0.00 0.00 175.10 175.10 1u76 s PHE 103 N 0.71 2.85 -0.20 5.22 0.08 0.66 -0.66 117.98 126.65 1u76 s PHE 103 Ca -0.05 -0.71 -0.03 0.00 0.12 0.00 0.00 56.93 56.26 1u76 s PHE 103 Cb -0.15 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 1u76 s PHE 103 CO 0.02 -0.28 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.59 1u76 s GLU 104 N 0.59 3.40 0.32 0.44 2.02 0.38 -1.04 118.70 124.81 1u76 s GLU 104 Ca -0.07 -0.63 -0.28 0.00 0.02 0.00 0.00 54.97 54.02 1u76 s GLU 104 Cb -0.15 -2.93 -0.09 0.00 0.10 0.00 0.00 34.13 31.05 1u76 s GLU 104 CO 0.03 -0.10 1.10 0.00 0.02 0.00 0.00 175.26 176.32 1u76 s ALA 105 N 1.20 3.31 0.03 5.21 0.00 -1.06 0.35 121.76 130.80 1u76 s ALA 105 Ca 0.02 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 1u76 s ALA 105 Cb -0.14 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1u76 s ALA 105 CO -0.02 -0.23 1.12 -1.35 0.00 0.00 0.00 175.76 175.28 1u76 h PRO 106 N 3.38 -0.05 0.00 0.00 0.11 -1.92 -3.42 132.00 130.10 1u76 h PRO 106 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1u76 h PRO 106 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1u76 h PRO 106 CO 0.65 -0.03 0.00 0.09 -0.21 0.00 0.00 178.00 178.50 1u76 n ASN 107 N -3.40 0.00 0.00 -2.05 5.03 -1.26 -5.08 115.26 108.51 1u76 n ASN 107 Ca -0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1u76 n ASN 107 Cb 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 1u76 n ASN 107 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1u76 n GLU 109 N 0.00 0.00 -3.78 3.52 0.00 -1.26 -5.05 120.64 114.07 1u76 n GLU 109 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 1u76 n GLU 109 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 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 0.00 0.08 -0.04 3.44 2.20 -1.26 -5.11 119.74 119.04 1u76 s LYS 110 Ca 0.00 0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1u76 s LYS 110 Cb 0.00 -0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.22 1u76 s LYS 110 CO 0.00 -0.13 -0.00 0.08 -0.36 0.00 0.00 175.35 174.94 1u76 s VAL 111 N 0.86 0.25 -0.10 4.02 1.01 -1.26 -2.58 120.40 122.60 1u76 s VAL 111 Ca -0.07 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1u76 s VAL 111 Cb -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1u76 s VAL 111 CO -0.04 0.18 0.01 -0.44 0.00 0.00 0.00 175.10 174.82 1u76 s SER 112 N 1.31 5.30 -0.09 3.32 0.01 -0.21 -4.96 113.70 118.39 1u76 s SER 112 Ca -0.05 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1u76 s SER 112 Cb -0.13 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.57 1u76 s SER 112 CO -0.02 0.36 -0.08 -0.62 0.41 0.00 0.00 173.24 173.29 1u76 s ASP 113 N -0.75 1.84 -0.09 2.44 2.15 -1.26 -0.24 116.67 120.75 1u76 s ASP 113 Ca 0.12 -0.25 0.02 0.00 0.43 0.00 0.00 52.55 52.86 1u76 s ASP 113 Cb -0.12 -0.74 0.01 0.00 -0.30 0.00 0.00 42.92 41.78 1u76 s ASP 113 CO 0.02 -0.08 -0.14 -0.31 -0.17 0.00 0.00 175.17 174.49 1u76 s TYR 114 N 1.35 1.80 -0.34 -5.34 1.51 0.23 -4.98 117.35 111.59 1u76 s TYR 114 Ca -0.02 -0.79 -0.09 0.00 -1.01 0.00 0.00 57.07 55.16 1u76 s TYR 114 Cb -0.14 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1u76 s TYR 114 CO -0.04 -0.41 0.16 -1.21 -1.11 0.00 0.00 175.55 172.94 1u76 s GLU 115 N 0.88 2.97 -0.20 -0.62 0.41 -1.26 0.12 118.70 121.01 1u76 s GLU 115 Ca -0.09 -0.96 -0.09 0.00 -0.41 0.00 0.00 54.97 53.41 1u76 s GLU 115 Cb -0.15 -3.59 -0.05 0.00 -1.78 0.00 0.00 34.13 28.57 1u76 s GLU 115 CO 0.01 -0.58 0.10 1.41 -0.49 0.00 0.00 175.26 175.71 1u76 s MET 116 N 1.54 4.08 0.08 1.61 -2.45 0.16 -4.94 119.30 119.38 1u76 s MET 116 Ca 0.02 -0.28 -0.31 0.00 -1.25 0.00 0.00 55.69 53.87 1u76 s MET 116 Cb -0.18 -3.34 -0.07 0.00 1.25 0.00 0.00 34.83 32.48 1u76 s MET 116 CO 0.05 0.26 1.42 0.15 1.05 0.00 0.00 175.02 177.96 1u76 s LYS 117 N 0.43 4.29 0.79 4.11 1.02 -1.26 -0.74 119.74 128.39 1u76 s LYS 117 Ca 0.06 2.07 -0.04 0.00 0.02 0.00 0.00 55.97 58.08 1u76 s LYS 117 Cb -0.12 -3.38 0.15 0.00 -0.52 0.00 0.00 37.83 33.97 1u76 s LYS 117 CO -0.01 -0.51 1.08 -0.51 -0.92 0.00 0.00 175.35 174.49 1u76 s LEU 118 N 1.64 2.90 0.04 3.17 1.43 -0.48 -4.80 118.68 122.59 1u76 s LEU 118 Ca 0.65 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 1u76 s LEU 118 Cb -0.36 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 43.99 1u76 s LEU 118 CO 0.29 -2.13 0.40 0.00 0.23 0.00 0.00 176.35 175.15 1u76 s MET 119 N -5.33 0.91 -0.36 1.70 0.23 -0.68 -4.93 119.30 110.84 1u76 s MET 119 Ca 0.69 -0.38 -0.27 0.00 -1.03 0.00 0.00 55.69 54.70 1u76 s MET 119 Cb -0.04 0.40 0.02 0.00 -1.53 0.00 0.00 34.83 33.68 1u76 s MET 119 CO 0.47 -0.31 0.97 -0.51 -2.03 0.00 0.00 175.02 173.61 1u76 s ASP 120 N -2.01 6.73 -0.12 -1.18 1.01 -1.26 -3.56 116.67 116.28 1u76 s ASP 120 Ca -0.05 0.68 0.02 0.00 0.71 0.00 0.00 52.55 53.91 1u76 s ASP 120 Cb -0.01 -2.49 -0.00 0.00 1.01 0.00 0.00 42.92 41.43 1u76 s ASP 120 CO -0.02 -0.88 -0.20 -0.76 0.21 0.00 0.00 175.17 173.51 1u76 s LEU 121 N 3.57 2.31 -0.62 1.23 1.43 -1.26 -5.00 118.68 120.34 1u76 s LEU 121 Ca 0.40 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1u76 s LEU 121 Cb -0.12 -1.49 0.45 0.00 0.03 0.00 0.00 46.19 45.07 1u76 s LEU 121 CO 0.19 0.15 1.93 -0.90 0.23 0.00 0.00 176.35 177.94 1u76 n ASP 122 N 3.63 7.31 -4.16 2.29 5.75 -1.26 -4.98 116.55 125.12 1u76 n ASP 122 Ca -0.19 -3.78 -0.44 0.00 -0.01 0.00 0.00 54.79 50.37 1u76 n ASP 122 Cb 0.53 -0.89 -0.02 0.00 -1.03 0.00 0.00 41.12 39.70 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 -0.90 1.47 -2.65 2.12 0.31 -1.26 -4.85 118.33 112.57 1u76 n VAL 123 Ca 0.60 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 64.03 1u76 n VAL 123 Cb 0.71 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.61 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 -0.95 3.51 0.27 5.55 2.12 -1.26 -5.01 118.70 122.93 1u76 s GLU 124 Ca 0.59 0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.82 1u76 s GLU 124 Cb -0.79 -4.00 -0.09 0.00 0.26 0.00 0.00 34.13 29.50 1u76 s GLU 124 CO 0.56 -1.57 0.99 -0.65 -0.54 0.00 0.00 175.26 174.04 1u76 s GLN 125 N 4.62 4.72 0.19 4.30 -1.52 -1.26 -4.79 119.66 125.91 1u76 s GLN 125 Ca 0.41 1.54 0.10 0.00 -1.95 0.00 0.00 55.36 55.45 1u76 s GLN 125 Cb -0.09 -3.13 -0.04 0.00 -0.22 0.00 0.00 33.01 29.53 1u76 s GLN 125 CO 0.25 0.36 -0.20 -0.51 -0.25 0.00 0.00 175.29 174.95 1u76 s LEU 126 N -1.49 2.46 -0.16 2.90 1.43 -1.26 -5.14 118.68 117.42 1u76 s LEU 126 Ca 0.44 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1u76 s LEU 126 Cb -0.26 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.03 1u76 s LEU 126 CO 0.32 0.01 -0.16 -0.83 0.23 0.00 0.00 176.35 175.92 1u76 s GLY 127 N -2.80 1.22 0.00 -3.19 0.00 -1.26 -5.09 107.32 96.21 1u76 s GLY 127 Ca 0.19 -1.01 -0.30 0.00 0.00 0.00 0.00 44.72 43.60 1u76 s GLY 127 CO 0.09 0.43 1.12 -0.26 0.00 0.00 0.00 173.10 174.47 1u76 s ILE 128 N 1.40 4.37 -0.61 0.90 -4.36 -1.26 -4.98 121.20 116.67 1u76 s ILE 128 Ca 0.05 1.70 -0.28 0.00 -0.26 0.00 0.00 60.65 61.85 1u76 s ILE 128 Cb -0.13 -4.09 0.03 0.00 1.25 0.00 0.00 42.46 39.52 1u76 s ILE 128 CO -0.11 0.09 1.26 -2.84 0.24 0.00 0.00 174.94 173.58 1u76 s PRO 129 N 1.38 3.40 -0.21 0.37 0.02 -1.26 -4.95 135.00 133.76 1u76 s PRO 129 Ca 0.55 0.21 -0.37 0.00 0.02 0.00 0.00 61.00 61.42 1u76 s PRO 129 Cb -0.25 -4.07 -0.13 0.00 0.02 0.00 0.00 34.50 30.06 1u76 s PRO 129 CO 0.26 -1.83 1.87 -0.85 -0.33 0.00 0.00 177.00 176.12 1u76 n GLU 130 N 8.67 1.60 -4.29 5.54 0.28 -1.26 -4.92 120.64 126.27 1u76 n GLU 130 Ca 0.08 0.57 -0.18 0.00 -0.16 0.00 0.00 57.16 57.48 1u76 n GLU 130 Cb 0.49 -2.39 -0.09 0.00 1.43 0.00 0.00 31.44 30.88 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 4.15 1.57 0.12 3.44 -2.07 -1.26 -5.17 119.66 120.45 1u76 s GLN 131 Ca 0.97 -1.89 0.03 0.00 -1.82 0.00 0.00 55.36 52.65 1u76 s GLN 131 Cb -0.88 0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 31.16 1u76 s GLN 131 CO 0.58 -0.52 0.17 -2.00 -1.32 0.00 0.00 175.29 172.20 1u76 s GLU 132 N -3.75 3.13 -0.08 9.60 2.56 -1.26 -5.12 118.70 123.77 1u76 s GLU 132 Ca 0.38 -0.69 0.05 0.00 0.00 0.00 0.00 54.97 54.71 1u76 s GLU 132 Cb 0.04 -2.81 -0.00 0.00 2.00 0.00 0.00 34.13 33.36 1u76 s GLU 132 CO 0.20 0.53 -0.24 0.71 -0.56 0.00 0.00 175.26 175.91 1u76 s TYR 133 N -1.62 2.45 0.28 5.30 1.51 -1.26 -4.91 117.35 119.09 1u76 s TYR 133 Ca 0.32 -0.88 -0.02 0.00 -1.01 0.00 0.00 57.07 55.48 1u76 s TYR 133 Cb -0.11 -1.63 0.39 0.00 -0.11 0.00 0.00 41.96 40.50 1u76 s TYR 133 CO 0.25 -0.32 1.88 0.77 -1.11 0.00 0.00 175.55 177.02 1u76 h SER 134 N 6.43 0.89 -3.79 2.29 0.02 -1.77 -3.44 113.55 114.18 1u76 h SER 134 Ca -0.25 -0.10 -0.30 0.00 -0.84 0.00 0.00 61.79 60.30 1u76 h SER 134 Cb 1.21 -0.23 -0.29 0.00 0.14 0.00 0.00 62.40 63.23 1u76 h SER 134 CO 0.47 0.76 -0.74 0.00 -1.14 0.00 0.00 176.83 176.17 1u76 s VAL 136 N 0.08 0.61 -0.20 0.00 1.01 -1.02 -1.02 120.40 119.87 1u76 s VAL 136 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1u76 s VAL 136 Cb -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1u76 s VAL 136 CO -0.00 0.30 -0.11 -0.69 0.00 0.00 0.00 175.10 174.60 1u76 s VAL 137 N 1.86 2.90 -0.12 2.92 1.01 0.83 -1.56 120.40 128.24 1u76 s VAL 137 Ca 0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1u76 s VAL 137 Cb -0.12 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1u76 s VAL 137 CO -0.06 0.47 0.05 -0.75 0.00 0.00 0.00 175.10 174.81 1u76 s LYS 138 N 1.27 3.38 0.16 2.72 2.20 -0.42 0.61 119.74 129.67 1u76 s LYS 138 Ca 0.03 -0.32 -0.24 0.00 -0.36 0.00 0.00 55.97 55.08 1u76 s LYS 138 Cb -0.14 -3.01 0.06 0.00 -1.51 0.00 0.00 37.83 33.23 1u76 s LYS 138 CO -0.05 0.60 0.81 0.00 -0.36 0.00 0.00 175.35 176.35 1u76 s MET 139 N -0.57 1.32 0.37 4.03 0.23 -0.50 -1.89 119.30 122.30 1u76 s MET 139 Ca 0.11 -0.66 -0.28 0.00 -1.03 0.00 0.00 55.69 53.83 1u76 s MET 139 Cb -0.12 0.50 -0.11 0.00 -1.53 0.00 0.00 34.83 33.57 1u76 s MET 139 CO 0.02 -0.60 1.45 -2.30 -2.03 0.00 0.00 175.02 171.56 1u76 n PRO 140 N -0.41 2.55 0.06 3.16 -0.02 -1.26 -0.99 135.00 138.09 1u76 n PRO 140 Ca -0.08 0.89 -0.02 0.00 -2.02 0.00 0.00 63.50 62.28 1u76 n PRO 140 Cb 0.61 -2.60 0.25 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.84 0.35 -0.61 2.55 4.64 -1.05 -2.52 113.55 119.74 1u76 h SER 141 Ca -0.50 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 60.63 1u76 h SER 141 Cb 1.25 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1u76 h SER 141 CO 0.63 0.63 0.09 1.23 -0.87 0.00 0.00 176.83 178.54 1u76 h GLY 142 N 1.04 1.13 0.87 -0.77 0.00 -1.88 0.17 103.07 103.63 1u76 h GLY 142 Ca 0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 1u76 h GLY 142 CO 0.05 0.70 0.05 -2.09 0.00 0.00 0.00 176.54 175.25 1u76 h GLU 143 N 0.98 0.39 -0.12 4.80 4.81 -1.89 0.06 114.58 123.61 1u76 h GLU 143 Ca 0.19 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1u76 h GLU 143 Cb 0.45 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1u76 h GLU 143 CO 0.01 0.50 -0.02 0.35 -0.73 0.00 0.00 179.01 179.12 1u76 h PHE 144 N 0.21 -0.04 -0.30 0.92 3.57 -1.22 0.23 116.94 120.31 1u76 h PHE 144 Ca 0.07 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1u76 h PHE 144 Cb 0.29 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1u76 h PHE 144 CO 0.01 -0.04 -0.05 0.00 -2.23 0.00 0.00 178.31 176.01 1u76 h ALA 145 N 1.11 0.22 -0.14 2.41 0.00 -0.81 -1.77 119.26 120.28 1u76 h ALA 145 Ca 0.05 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1u76 h ALA 145 Cb 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1u76 h ALA 145 CO -0.11 -0.45 -0.01 -0.09 0.00 0.00 0.00 179.25 178.59 1u76 h ARG 146 N 0.03 0.03 -0.63 0.00 9.65 -0.48 -1.40 114.38 121.57 1u76 h ARG 146 Ca 0.14 -0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.15 1u76 h ARG 146 Cb 0.21 -0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 28.67 1u76 h ARG 146 CO -0.28 0.02 -0.08 0.82 2.80 0.00 0.00 179.97 183.25 1u76 h ILE 147 N 0.03 0.42 0.00 1.20 2.04 -0.37 0.32 117.51 121.16 1u76 h ILE 147 Ca 0.07 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 1u76 h ILE 147 Cb 0.08 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1u76 h ILE 147 CO -0.12 0.01 -0.32 0.00 0.00 0.00 0.00 178.15 177.72 1u76 h ARG 149 N 0.00 0.29 0.34 0.00 2.43 0.16 -2.96 114.38 114.64 1u76 h ARG 149 Ca -0.00 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1u76 h ARG 149 Cb 0.62 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1u76 h ARG 149 CO 0.04 1.11 -0.41 -0.44 -1.51 0.00 0.00 179.97 178.76 1u76 h ASP 150 N -0.36 -1.16 -0.75 -3.80 3.32 -0.25 -2.29 116.42 111.13 1u76 h ASP 150 Ca -0.08 0.10 0.16 0.00 0.02 0.00 0.00 57.03 57.23 1u76 h ASP 150 Cb 1.35 0.39 -0.05 0.00 0.22 0.00 0.00 39.33 41.24 1u76 h ASP 150 CO 0.11 -0.52 0.51 -0.07 -1.72 0.00 0.00 179.24 177.55 1u76 h LEU 151 N -0.77 0.32 -1.89 1.55 3.38 -1.43 -0.50 115.31 115.97 1u76 h LEU 151 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1u76 h LEU 151 Cb 0.68 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1u76 h LEU 151 CO -0.09 0.16 0.16 0.28 0.09 0.00 0.00 178.44 179.05 1u76 h SER 152 N 0.34 0.00 1.05 -0.43 0.02 -1.23 0.33 113.55 113.63 1u76 h SER 152 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1u76 h SER 152 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1u76 h SER 152 CO -0.11 0.00 -0.76 0.45 -1.14 0.00 0.00 176.83 175.28 1u76 h HIS 153 N 0.00 0.00 0.04 3.45 3.86 -1.12 -3.37 115.15 118.02 1u76 h HIS 153 Ca 0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.94 1u76 h HIS 153 Cb 0.33 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1u76 h HIS 153 CO 0.00 0.00 -1.44 0.82 0.86 0.00 0.00 177.93 178.17 1u76 h ILE 154 N 0.00 0.87 -3.05 2.45 1.08 -0.48 -3.49 117.51 114.90 1u76 h ILE 154 Ca 0.00 -2.24 -0.07 0.00 -0.39 0.00 0.00 64.86 62.16 1u76 h ILE 154 Cb 0.90 2.36 -0.00 0.00 -3.07 0.00 0.00 36.82 37.01 1u76 h ILE 154 CO 0.00 0.50 0.17 0.61 -0.69 0.00 0.00 178.15 178.74 1u76 n GLY 155 N 1.61 1.33 0.08 5.37 0.00 -0.82 -3.07 105.19 109.68 1u76 n GLY 155 Ca -0.31 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 1.73 0.07 -2.20 1.61 2.03 -1.87 -3.38 116.42 114.42 1u76 h ASP 156 Ca -0.28 -0.10 -0.58 0.00 -0.73 0.00 0.00 57.03 55.34 1u76 h ASP 156 Cb 1.07 -0.02 -0.11 0.00 -0.83 0.00 0.00 39.33 39.44 1u76 h ASP 156 CO 0.36 1.08 -0.69 0.00 -1.03 0.00 0.00 179.24 178.97 1u76 s ALA 157 N -2.65 3.01 -0.05 4.15 0.00 -1.26 -1.15 121.76 123.81 1u76 s ALA 157 Ca -0.03 -1.75 0.03 0.00 0.00 0.00 0.00 51.96 50.22 1u76 s ALA 157 Cb 0.09 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1u76 s ALA 157 CO 0.83 0.27 -0.13 0.54 0.00 0.00 0.00 175.76 177.26 1u76 s VAL 158 N -2.40 1.15 -0.30 0.00 0.11 0.16 -4.49 120.40 114.63 1u76 s VAL 158 Ca 0.31 -0.53 -0.15 0.00 -2.93 0.00 0.00 61.98 58.68 1u76 s VAL 158 Cb -0.06 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1u76 s VAL 158 CO 0.18 0.35 0.35 -0.69 -3.33 0.00 0.00 175.10 171.96 1u76 s VAL 159 N 0.36 5.18 -0.43 2.04 1.01 0.16 -1.11 120.40 127.61 1u76 s VAL 159 Ca -0.09 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1u76 s VAL 159 Cb -0.13 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1u76 s VAL 159 CO 0.03 0.05 0.36 -0.63 0.00 0.00 0.00 175.10 174.90 1u76 s ILE 160 N 2.03 5.21 -0.27 2.22 1.01 0.15 -1.60 121.20 129.95 1u76 s ILE 160 Ca 0.13 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 1u76 s ILE 160 Cb -0.16 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 1u76 s ILE 160 CO 0.11 -0.43 0.08 -0.44 0.00 0.00 0.00 174.94 174.26 1u76 s SER 161 N 2.02 5.13 -0.20 3.58 0.01 0.14 -2.17 113.70 122.21 1u76 s SER 161 Ca 0.06 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.88 1u76 s SER 161 Cb -0.20 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 1u76 s SER 161 CO 0.10 -0.10 -0.06 0.00 0.41 0.00 0.00 173.24 173.59 1u76 n ALA 163 N 4.45 0.00 0.20 0.00 0.00 -0.58 -1.35 120.51 123.22 1u76 n ALA 163 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1u76 n ALA 163 Cb 0.51 0.00 -0.04 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 -0.51 0.72 0.00 1.63 -1.97 -3.38 116.57 113.06 1u76 h LYS 164 Ca 0.00 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1u76 h LYS 164 Cb 0.00 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1u76 h LYS 164 CO 0.00 -0.34 -0.47 0.38 -3.45 0.00 0.00 179.45 175.56 1u76 h ASP 165 N -0.80 -1.22 -1.12 4.20 2.03 -1.98 -3.46 116.42 114.07 1u76 h ASP 165 Ca -0.05 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1u76 h ASP 165 Cb 0.41 0.36 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 1u76 h ASP 165 CO 0.09 -0.71 0.00 0.61 -1.03 0.00 0.00 179.24 178.20 1u76 n GLY 166 N -1.59 3.57 3.44 7.15 0.00 -1.26 -3.69 105.19 112.81 1u76 n GLY 166 Ca -0.14 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.21 2.60 -0.02 1.61 0.11 -0.26 -1.53 120.40 120.71 1u76 s VAL 167 Ca 0.00 -1.55 0.02 0.00 -2.93 0.00 0.00 61.98 57.52 1u76 s VAL 167 Cb 0.00 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 1u76 s VAL 167 CO 0.00 0.14 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.09 1u76 s LYS 168 N -1.98 0.70 -0.07 1.54 2.20 0.20 -1.39 119.74 120.94 1u76 s LYS 168 Ca 0.16 -0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.58 1u76 s LYS 168 Cb -0.10 -0.69 -0.02 0.00 -1.51 0.00 0.00 37.83 35.51 1u76 s LYS 168 CO 0.08 0.08 -0.16 -0.06 -0.36 0.00 0.00 175.35 174.93 1u76 s PHE 169 N 0.18 2.68 0.03 4.03 0.40 -0.57 0.25 117.98 124.99 1u76 s PHE 169 Ca -0.02 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 55.75 1u76 s PHE 169 Cb -0.07 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.81 1u76 s PHE 169 CO -0.00 0.00 0.37 -1.54 0.70 0.00 0.00 175.22 174.75 1u76 s SER 170 N -0.32 -0.22 0.24 1.36 1.04 -0.63 -0.55 113.70 114.61 1u76 s SER 170 Ca 0.03 -0.04 -0.13 0.00 0.48 0.00 0.00 55.95 56.29 1u76 s SER 170 Cb -0.13 0.39 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 1u76 s SER 170 CO 0.02 -0.62 0.46 0.00 0.98 0.00 0.00 173.24 174.09 1u76 s ALA 171 N -2.31 -0.23 0.02 5.32 0.00 -0.69 -0.66 121.76 123.21 1u76 s ALA 171 Ca -0.06 -0.86 -0.21 0.00 0.00 0.00 0.00 51.96 50.82 1u76 s ALA 171 Cb -0.01 1.05 0.05 0.00 0.00 0.00 0.00 23.12 24.21 1u76 s ALA 171 CO -0.01 -0.83 0.48 -1.54 0.00 0.00 0.00 175.76 173.85 1u76 s SER 172 N -3.01 -0.39 0.00 0.00 1.04 -1.26 -1.68 113.70 108.39 1u76 s SER 172 Ca 0.22 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1u76 s SER 172 Cb -0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1u76 s SER 172 CO 0.08 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1u76 n GLY 173 N 0.65 2.39 0.25 7.32 0.00 0.63 -4.28 105.19 112.15 1u76 n GLY 173 Ca -0.19 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.25 -1.88 1.61 5.08 -1.98 -2.71 114.58 114.46 1u76 h GLU 174 Ca 0.00 0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 1u76 h GLU 174 Cb 0.00 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.22 1u76 h GLU 174 CO 0.00 -0.16 0.08 1.47 -1.00 0.00 0.00 179.01 179.39 1u76 n LEU 175 N -5.35 5.82 0.00 1.33 -0.00 -1.26 -4.98 117.00 112.55 1u76 n LEU 175 Ca -0.02 -3.14 0.00 0.00 -0.00 0.00 0.00 56.01 52.85 1u76 n LEU 175 Cb 0.27 -1.20 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 1u76 n LEU 175 CO 0.18 1.37 0.00 0.61 -0.00 0.00 0.00 177.39 179.55 1u76 n GLY 176 N 1.35 -0.53 3.59 1.47 0.00 -1.02 -5.00 105.19 105.05 1u76 n GLY 176 Ca 0.28 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.14 0.29 1.61 2.20 -1.26 -0.27 114.94 113.37 1u76 s ASN 177 Ca 0.00 -0.79 -0.20 0.00 -0.94 0.00 0.00 52.86 50.92 1u76 s ASN 177 Cb 0.00 0.59 0.03 0.00 -2.00 0.00 0.00 41.25 39.87 1u76 s ASN 177 CO 0.00 -1.13 0.75 -0.83 -2.94 0.00 0.00 177.10 172.94 1u76 s GLY 178 N -2.97 -0.03 -0.01 0.45 0.00 -0.68 -5.00 107.32 99.09 1u76 s GLY 178 Ca 0.18 -0.35 -0.23 0.00 0.00 0.00 0.00 44.72 44.32 1u76 s GLY 178 CO 0.06 -0.10 0.50 0.54 0.00 0.00 0.00 173.10 174.10 1u76 s ASN 179 N -2.95 -0.42 -0.08 1.64 2.20 -1.26 -1.70 114.94 112.37 1u76 s ASN 179 Ca 0.12 0.31 0.03 0.00 -0.94 0.00 0.00 52.86 52.39 1u76 s ASN 179 Cb -0.06 0.44 -0.01 0.00 -2.00 0.00 0.00 41.25 39.63 1u76 s ASN 179 CO 0.07 -0.59 -0.19 -0.63 -2.94 0.00 0.00 177.10 172.82 1u76 s ILE 180 N -1.67 2.56 -0.14 0.54 1.01 0.29 -4.97 121.20 118.81 1u76 s ILE 180 Ca -0.10 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1u76 s ILE 180 Cb -0.02 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1u76 s ILE 180 CO 0.04 0.56 -0.15 -0.54 0.00 0.00 0.00 174.94 174.85 1u76 s LYS 181 N -0.04 3.27 -0.06 2.79 1.02 -1.26 -1.52 119.74 123.95 1u76 s LYS 181 Ca -0.05 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.23 1u76 s LYS 181 Cb -0.14 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1u76 s LYS 181 CO 0.05 0.10 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.96 1u76 s LEU 182 N 0.62 2.96 0.06 3.17 1.43 -0.49 -5.01 118.68 121.42 1u76 s LEU 182 Ca -0.08 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1u76 s LEU 182 Cb -0.16 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1u76 s LEU 182 CO 0.03 0.35 -0.14 -0.44 0.23 0.00 0.00 176.35 176.38 1u76 s SER 183 N -0.79 1.67 0.90 2.29 0.01 -1.26 -1.10 113.70 115.42 1u76 s SER 183 Ca 0.12 -0.56 -0.10 0.00 1.31 0.00 0.00 55.95 56.72 1u76 s SER 183 Cb -0.11 -0.07 0.14 0.00 0.21 0.00 0.00 66.02 66.19 1u76 s SER 183 CO 0.01 -0.04 1.15 -1.10 0.41 0.00 0.00 173.24 173.67 1u76 s GLN 184 N -1.53 1.08 0.00 12.44 -0.21 -1.24 -4.73 119.66 125.47 1u76 s GLN 184 Ca -0.01 1.55 0.00 0.00 0.02 0.00 0.00 55.36 56.93 1u76 s GLN 184 Cb -0.09 -1.73 0.00 0.00 1.00 0.00 0.00 33.01 32.18 1u76 s GLN 184 CO 0.02 -2.59 0.00 0.25 -2.12 0.00 0.00 175.29 170.85 1u76 n THR 185 N -4.17 0.00 -0.12 -0.19 -2.24 -1.19 -4.98 114.28 101.39 1u76 n THR 185 Ca 0.12 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.65 1u76 n THR 185 Cb 0.52 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 1u76 n THR 185 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1u76 n GLU 191 N 0.00 0.59 -0.74 -0.78 4.07 -1.26 -5.06 120.64 117.46 1u76 n GLU 191 Ca 0.00 0.41 0.03 0.00 -0.06 0.00 0.00 57.16 57.53 1u76 n GLU 191 Cb 0.00 -1.63 0.30 0.00 -0.06 0.00 0.00 31.44 30.06 1u76 n GLU 191 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1u76 n GLU 192 N -4.25 3.87 -0.00 5.31 4.71 -1.26 -3.33 120.64 125.70 1u76 n GLU 192 Ca -0.43 -2.48 0.03 0.00 -0.01 0.00 0.00 57.16 54.27 1u76 n GLU 192 Cb 0.80 -2.09 -0.03 0.00 -1.01 0.00 0.00 31.44 29.11 1u76 n GLU 192 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1u76 n GLU 193 N 0.36 4.53 -2.82 3.49 1.02 -1.26 -4.23 120.64 121.72 1u76 n GLU 193 Ca 0.25 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 57.13 1u76 n GLU 193 Cb 1.05 -0.80 0.01 0.00 -0.02 0.00 0.00 31.44 31.68 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 -1.63 3.57 -0.17 0.62 0.00 -1.21 -4.82 121.76 118.13 1u76 s ALA 194 Ca 0.01 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1u76 s ALA 194 Cb 0.04 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.85 1u76 s ALA 194 CO 0.22 -0.43 -0.16 0.08 0.00 0.00 0.00 175.76 175.46 1u76 s VAL 195 N -2.67 1.84 -0.01 0.00 1.01 -1.26 -4.28 120.40 115.03 1u76 s VAL 195 Ca 0.48 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1u76 s VAL 195 Cb -0.10 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1u76 s VAL 195 CO 0.41 0.45 -0.12 0.42 0.00 0.00 0.00 175.10 176.26 1u76 s THR 196 N 1.37 3.26 -0.02 3.92 -4.23 -0.79 -3.18 115.64 115.97 1u76 s THR 196 Ca 0.04 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1u76 s THR 196 Cb -0.13 -2.36 -0.00 0.00 1.34 0.00 0.00 72.50 71.34 1u76 s THR 196 CO -0.11 0.45 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.68 1u76 s ILE 197 N -0.88 0.88 -0.46 2.99 1.01 -1.26 -1.30 121.20 122.17 1u76 s ILE 197 Ca 0.14 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1u76 s ILE 197 Cb -0.11 -0.75 0.13 0.00 0.01 0.00 0.00 42.46 41.74 1u76 s ILE 197 CO 0.04 0.26 0.23 -1.61 0.00 0.00 0.00 174.94 173.86 1u76 s GLU 198 N -0.12 1.54 -0.36 2.79 2.02 -0.60 -4.98 118.70 118.99 1u76 s GLU 198 Ca 0.02 -2.20 -0.11 0.00 0.02 0.00 0.00 54.97 52.69 1u76 s GLU 198 Cb -0.06 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.45 1u76 s GLU 198 CO -0.00 -1.13 0.20 1.41 0.02 0.00 0.00 175.26 175.77 1u76 s MET 199 N 0.17 3.04 -0.14 1.61 1.75 -1.26 -2.42 119.30 122.05 1u76 s MET 199 Ca 0.17 -0.94 0.15 0.00 -1.25 0.00 0.00 55.69 53.82 1u76 s MET 199 Cb -0.25 -3.71 -0.24 0.00 2.84 0.00 0.00 34.83 33.47 1u76 s MET 199 CO -0.01 -0.60 0.27 0.09 -0.65 0.00 0.00 175.02 174.12 1u76 n ASN 200 N 5.02 0.47 -3.71 1.11 3.02 0.70 -4.92 115.26 116.95 1u76 n ASN 200 Ca -0.12 0.15 -0.12 0.00 -0.03 0.00 0.00 54.58 54.45 1u76 n ASN 200 Cb 0.47 0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 40.01 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 -2.53 0.25 0.35 3.52 2.02 -1.24 -5.09 118.70 115.97 1u76 s GLU 201 Ca -0.10 0.63 -0.28 0.00 0.02 0.00 0.00 54.97 55.24 1u76 s GLU 201 Cb 0.07 -0.08 -0.12 0.00 0.10 0.00 0.00 34.13 34.10 1u76 s GLU 201 CO 0.81 -0.18 1.34 -2.30 0.02 0.00 0.00 175.26 174.96 1u76 n PRO 202 N 4.38 2.26 -4.18 0.39 -0.02 -1.26 -4.61 135.00 131.96 1u76 n PRO 202 Ca -0.22 0.79 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 1u76 n PRO 202 Cb 0.53 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.07 0.96 -0.13 -1.45 1.01 -0.46 -4.97 120.40 114.30 1u76 s VAL 203 Ca 0.55 -1.62 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 1u76 s VAL 203 Cb -0.55 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 34.55 1u76 s VAL 203 CO 0.62 -0.54 0.27 -1.58 0.00 0.00 0.00 175.10 173.87 1u76 s GLN 204 N -2.73 0.17 0.00 2.72 0.74 -1.26 -0.65 119.66 118.66 1u76 s GLN 204 Ca 0.05 0.72 -0.08 0.00 0.05 0.00 0.00 55.36 56.10 1u76 s GLN 204 Cb -0.03 -0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.04 1u76 s GLN 204 CO 0.00 -0.26 0.16 -0.51 -0.55 0.00 0.00 175.29 174.14 1u76 s LEU 205 N 2.17 1.46 -0.16 3.68 1.43 -0.92 -4.90 118.68 121.44 1u76 s LEU 205 Ca -0.01 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1u76 s LEU 205 Cb -0.12 0.76 -0.03 0.00 0.03 0.00 0.00 46.19 46.84 1u76 s LEU 205 CO -0.09 -0.40 -0.00 -0.89 0.23 0.00 0.00 176.35 175.21 1u76 s THR 206 N -1.48 4.23 0.10 5.49 2.01 -1.26 -0.67 115.64 124.05 1u76 s THR 206 Ca -0.14 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.66 1u76 s THR 206 Cb -0.07 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1u76 s THR 206 CO 0.01 0.48 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.97 1u76 s PHE 207 N 0.34 1.05 -0.22 4.92 0.08 -0.27 -0.90 117.98 122.99 1u76 s PHE 207 Ca -0.01 -0.72 -0.25 0.00 0.12 0.00 0.00 56.93 56.07 1u76 s PHE 207 Cb -0.13 -0.57 -0.01 0.00 -0.57 0.00 0.00 43.02 41.73 1u76 s PHE 207 CO 0.02 -0.02 0.83 0.00 -0.10 0.00 0.00 175.22 175.96 1u76 s ALA 208 N -2.79 3.62 0.53 5.36 0.00 -1.26 0.39 121.76 127.61 1u76 s ALA 208 Ca 0.08 -0.09 0.23 0.00 0.00 0.00 0.00 51.96 52.19 1u76 s ALA 208 Cb -0.01 -3.27 1.51 0.00 0.00 0.00 0.00 23.12 21.35 1u76 s ALA 208 CO -0.01 -0.86 2.17 -0.07 0.00 0.00 0.00 175.76 176.99 1u76 h LEU 209 N 8.97 0.00 -0.66 0.00 3.38 -1.45 -2.23 115.31 123.32 1u76 h LEU 209 Ca -0.24 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.81 1u76 h LEU 209 Cb 1.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1u76 h LEU 209 CO 0.87 0.04 0.32 -0.09 0.09 0.00 0.00 178.44 179.66 1u76 h ARG 210 N 0.00 0.54 0.20 1.13 2.43 -1.92 0.11 114.38 116.87 1u76 h ARG 210 Ca -0.00 -0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.82 1u76 h ARG 210 Cb 0.08 -0.12 0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1u76 h ARG 210 CO 0.01 0.36 -1.39 1.88 -1.51 0.00 0.00 179.97 179.32 1u76 h TYR 211 N 0.56 0.92 -0.93 2.20 -1.99 -1.79 -3.07 116.97 112.86 1u76 h TYR 211 Ca 0.32 -0.64 0.09 0.00 2.00 0.00 0.00 58.73 60.50 1u76 h TYR 211 Cb 0.31 -0.05 -0.07 0.00 2.00 0.00 0.00 36.73 38.93 1u76 h TYR 211 CO -0.12 1.50 0.60 -0.07 -0.00 0.00 0.00 178.16 180.07 1u76 h LEU 212 N 0.17 0.87 -1.81 3.88 3.38 -1.20 0.27 115.31 120.87 1u76 h LEU 212 Ca -0.22 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1u76 h LEU 212 Cb 2.08 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1u76 h LEU 212 CO 0.26 0.51 -0.15 0.78 0.09 0.00 0.00 178.44 179.93 1u76 h ASN 213 N 0.96 0.00 -0.01 -0.43 2.35 -0.74 -1.57 115.58 116.14 1u76 h ASN 213 Ca 0.43 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.95 1u76 h ASN 213 Cb 0.37 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.76 1u76 h ASN 213 CO -0.19 0.15 -0.91 -0.26 -1.65 0.00 0.00 177.43 174.56 1u76 h PHE 214 N 0.00 0.95 -0.75 1.19 0.04 -0.44 -3.19 116.94 114.74 1u76 h PHE 214 Ca -0.00 -0.51 0.05 0.00 2.80 0.00 0.00 57.97 60.31 1u76 h PHE 214 Cb 0.36 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 1u76 h PHE 214 CO 0.00 1.34 0.49 0.74 -0.60 0.00 0.00 178.31 180.28 1u76 h PHE 215 N 0.29 0.84 0.00 -0.55 0.04 -0.40 -2.01 116.94 115.15 1u76 h PHE 215 Ca -0.11 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1u76 h PHE 215 Cb 1.58 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1u76 h PHE 215 CO 0.11 0.46 0.00 0.25 -0.60 0.00 0.00 178.31 178.54 1u76 n THR 216 N -4.47 0.95 0.69 -1.55 -2.24 -0.67 -2.23 114.28 104.76 1u76 n THR 216 Ca 0.10 0.24 0.07 0.00 -2.27 0.00 0.00 64.05 62.19 1u76 n THR 216 Cb 0.17 -1.04 0.36 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.39 0.24 0.00 -0.78 4.76 -0.75 -1.39 118.16 118.85 1u76 n LYS 217 Ca 0.04 0.13 0.12 0.00 -2.87 0.00 0.00 58.31 55.73 1u76 n LYS 217 Cb 0.11 -1.50 0.21 0.00 -1.84 0.00 0.00 35.03 32.02 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 -1.23 3.43 -0.32 7.82 0.00 -0.95 -4.33 120.51 124.92 1u76 n ALA 218 Ca 0.07 -0.48 0.19 0.00 0.00 0.00 0.00 53.44 53.22 1u76 n ALA 218 Cb 0.10 -1.01 0.39 0.00 0.00 0.00 0.00 19.45 18.93 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 1.25 0.37 0.00 0.00 2.02 -1.46 0.31 112.91 115.40 1u76 h THR 219 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1u76 h THR 219 Cb 0.57 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1u76 h THR 219 CO 0.00 0.06 0.00 -0.81 0.37 0.00 0.00 175.52 175.14 1u76 n PRO 220 N -5.06 0.42 0.02 6.66 -0.04 -1.26 -2.27 135.00 133.46 1u76 n PRO 220 Ca 0.27 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 1u76 n PRO 220 Cb 0.82 -1.23 -0.11 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.73 0.39 -3.68 1.53 4.77 0.11 -4.98 117.00 114.41 1u76 n LEU 221 Ca 0.05 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 1u76 n LEU 221 Cb 0.02 0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1u76 n LEU 221 CO 0.03 0.02 0.17 -0.55 -1.33 0.00 0.00 177.39 175.74 1u76 s SER 222 N -5.08 -0.37 0.34 -1.43 0.15 -0.96 -4.67 113.70 101.68 1u76 s SER 222 Ca -0.05 0.37 0.13 0.00 0.70 0.00 0.00 55.95 57.10 1u76 s SER 222 Cb 0.11 0.44 0.62 0.00 -1.71 0.00 0.00 66.02 65.48 1u76 s SER 222 CO 0.85 -0.48 1.75 0.28 1.20 0.00 0.00 173.24 176.84 1u76 h SER 223 N 3.71 0.00 -3.62 5.45 0.02 -1.91 -3.41 113.55 113.78 1u76 h SER 223 Ca -0.29 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.26 1u76 h SER 223 Cb 1.16 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.56 1u76 h SER 223 CO 0.38 0.45 -0.67 0.42 -1.14 0.00 0.00 176.83 176.27 1u76 s THR 224 N -3.89 1.23 -0.05 -2.27 -4.23 -1.26 -0.52 115.64 104.65 1u76 s THR 224 Ca -0.02 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 1u76 s THR 224 Cb 0.13 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.69 1u76 s THR 224 CO 0.73 -0.38 0.18 0.54 -0.54 0.00 0.00 174.62 175.15 1u76 s VAL 225 N -3.29 0.03 -0.06 2.29 0.11 -0.16 -4.50 120.40 114.82 1u76 s VAL 225 Ca 0.27 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.11 1u76 s VAL 225 Cb 0.05 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1u76 s VAL 225 CO 0.08 -0.13 -0.14 0.42 -3.33 0.00 0.00 175.10 172.00 1u76 s THR 226 N -0.43 3.10 -0.16 5.04 -4.23 -1.02 -1.41 115.64 116.52 1u76 s THR 226 Ca -0.05 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1u76 s THR 226 Cb -0.03 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 1u76 s THR 226 CO 0.01 0.59 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.82 1u76 s LEU 227 N -0.66 2.81 -0.25 4.79 1.43 0.20 -2.24 118.68 124.76 1u76 s LEU 227 Ca 0.10 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1u76 s LEU 227 Cb -0.11 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.49 1u76 s LEU 227 CO 0.01 0.10 -0.10 -0.44 0.23 0.00 0.00 176.35 176.15 1u76 s SER 228 N 0.76 4.31 0.39 2.29 0.01 0.12 -0.12 113.70 121.45 1u76 s SER 228 Ca -0.04 -1.18 0.08 0.00 1.31 0.00 0.00 55.95 56.12 1u76 s SER 228 Cb -0.15 -1.59 -0.07 0.00 0.21 0.00 0.00 66.02 64.43 1u76 s SER 228 CO 0.02 -0.16 0.05 -0.04 0.41 0.00 0.00 173.24 173.51 1u76 s MET 229 N 1.19 2.05 -0.18 12.44 -1.94 -0.19 -1.44 119.30 131.22 1u76 s MET 229 Ca -0.05 -1.94 -0.30 0.00 -1.71 0.00 0.00 55.69 51.69 1u76 s MET 229 Cb -0.18 -1.81 0.14 0.00 2.01 0.00 0.00 34.83 34.99 1u76 s MET 229 CO -0.05 -0.01 1.06 0.45 -0.01 0.00 0.00 175.02 176.45 1u76 s SER 230 N -3.76 -0.32 0.09 3.03 0.15 -1.26 -2.18 113.70 109.45 1u76 s SER 230 Ca 0.36 0.35 -0.35 0.00 0.70 0.00 0.00 55.95 57.02 1u76 s SER 230 Cb 0.05 0.27 -0.15 0.00 -1.71 0.00 0.00 66.02 64.49 1u76 s SER 230 CO 0.19 -0.29 1.55 0.00 1.20 0.00 0.00 173.24 175.89 1u76 n ALA 231 N 0.74 0.51 -3.79 5.45 0.00 -1.26 -3.09 120.51 119.07 1u76 n ALA 231 Ca -0.09 0.45 -0.23 0.00 0.00 0.00 0.00 53.44 53.57 1u76 n ALA 231 Cb 0.58 -2.28 0.01 0.00 0.00 0.00 0.00 19.45 17.77 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 3.58 -1.14 -3.62 0.00 2.03 -1.26 -5.00 116.55 111.14 1u76 n ASP 232 Ca 0.18 -0.90 -0.11 0.00 0.52 0.00 0.00 54.79 54.49 1u76 n ASP 232 Cb 0.25 -3.66 -0.05 0.00 -0.72 0.00 0.00 41.12 36.95 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 -3.76 0.06 0.26 5.18 -7.23 -1.18 -5.09 120.40 108.64 1u76 s VAL 233 Ca 0.03 -0.53 -0.31 0.00 -1.81 0.00 0.00 61.98 59.37 1u76 s VAL 233 Cb -0.01 -1.14 -0.12 0.00 0.56 0.00 0.00 36.38 35.67 1u76 s VAL 233 CO 0.84 -0.29 1.57 -2.65 -0.31 0.00 0.00 175.10 174.26 1u76 n PRO 234 N -0.17 2.52 -2.44 4.82 -0.02 -1.26 -4.58 135.00 133.87 1u76 n PRO 234 Ca -0.16 0.90 -0.38 0.00 -2.02 0.00 0.00 63.50 61.83 1u76 n PRO 234 Cb 0.63 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1u76 n PRO 234 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1u76 s LEU 235 N -0.03 4.27 -0.19 2.45 2.96 0.03 -4.78 118.68 123.40 1u76 s LEU 235 Ca 0.67 2.21 -0.03 0.00 -0.22 0.00 0.00 54.13 56.77 1u76 s LEU 235 Cb -0.55 -3.97 -0.01 0.00 0.50 0.00 0.00 46.19 42.16 1u76 s LEU 235 CO 0.46 -0.46 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.28 1u76 s VAL 236 N -1.43 3.39 -0.24 1.68 1.01 -0.52 -1.25 120.40 123.03 1u76 s VAL 236 Ca 0.54 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1u76 s VAL 236 Cb -0.28 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1u76 s VAL 236 CO 0.35 0.46 -0.09 -0.69 0.00 0.00 0.00 175.10 175.13 1u76 s VAL 237 N 1.03 2.60 -0.05 2.92 1.01 0.44 -0.70 120.40 127.65 1u76 s VAL 237 Ca 0.00 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 60.86 1u76 s VAL 237 Cb -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1u76 s VAL 237 CO -0.00 0.19 -0.15 -0.70 0.00 0.00 0.00 175.10 174.44 1u76 s GLU 238 N 1.27 1.76 -0.18 2.72 2.12 -0.95 0.08 118.70 125.53 1u76 s GLU 238 Ca -0.01 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.79 1u76 s GLU 238 Cb -0.17 -1.49 0.00 0.00 0.26 0.00 0.00 34.13 32.74 1u76 s GLU 238 CO -0.06 0.15 -0.14 0.71 -0.54 0.00 0.00 175.26 175.38 1u76 s TYR 239 N 0.31 2.83 0.33 5.30 1.51 -0.40 -2.43 117.35 124.79 1u76 s TYR 239 Ca -0.09 -1.16 -0.26 0.00 -1.01 0.00 0.00 57.07 54.55 1u76 s TYR 239 Cb -0.13 -1.95 -0.10 0.00 -0.11 0.00 0.00 41.96 39.67 1u76 s TYR 239 CO 0.03 -0.57 0.95 0.15 -1.11 0.00 0.00 175.55 175.00 1u76 s LYS 240 N 1.09 4.56 -0.78 -0.62 -0.14 -1.26 -1.37 119.74 121.22 1u76 s LYS 240 Ca 0.00 1.34 0.02 0.00 -1.36 0.00 0.00 55.97 55.97 1u76 s LYS 240 Cb -0.14 -2.78 0.24 0.00 -1.68 0.00 0.00 37.83 33.47 1u76 s LYS 240 CO -0.04 0.26 0.85 -0.89 -0.76 0.00 0.00 175.35 174.76 1u76 n ILE 241 N 0.52 2.93 0.00 2.17 5.41 0.30 -4.37 119.36 126.32 1u76 n ILE 241 Ca 0.02 -5.28 0.00 0.00 1.00 0.00 0.00 62.75 58.49 1u76 n ILE 241 Cb 0.50 -2.17 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 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 1.39 0.00 -0.16 -1.39 0.00 -1.26 0.23 120.51 119.32 1u76 n ALA 242 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1u76 n ALA 242 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.12 0.00 8.00 -1.26 -4.61 116.55 118.57 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 -1.70 -0.11 0.00 -0.02 0.00 0.00 41.12 39.29 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 -1.82 0.58 0.00 -1.24 2.81 0.13 -3.28 117.12 114.31 1u76 n MET 244 Ca 0.00 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 1u76 n MET 244 Cb 0.00 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 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 1.39 -0.50 1.82 3.03 0.00 -0.88 0.14 105.19 110.18 1u76 n GLY 245 Ca -0.42 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.57 -3.61 1.61 1.44 -0.17 -0.54 115.22 112.38 1u76 n HIS 246 Ca 0.00 -0.86 -0.18 0.00 -2.01 0.00 0.00 57.72 54.67 1u76 n HIS 246 Cb 0.00 0.43 -0.15 0.00 0.12 0.00 0.00 29.99 30.39 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 -0.06 -0.09 2.39 2.96 -0.47 -0.87 118.68 122.55 1u76 s LEU 247 Ca 0.08 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1u76 s LEU 247 Cb -0.02 0.27 -0.02 0.00 0.50 0.00 0.00 46.19 46.93 1u76 s LEU 247 CO 0.05 -0.28 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.09 1u76 s LYS 248 N 2.29 2.89 -0.17 1.98 1.02 0.14 -1.28 119.74 126.62 1u76 s LYS 248 Ca 0.04 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1u76 s LYS 248 Cb -0.13 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 1u76 s LYS 248 CO -0.08 0.36 -0.16 0.71 -0.92 0.00 0.00 175.35 175.26 1u76 s TYR 249 N -0.08 2.79 -0.21 3.18 2.02 0.11 0.15 117.35 125.32 1u76 s TYR 249 Ca -0.04 -1.32 -0.07 0.00 -0.37 0.00 0.00 57.07 55.27 1u76 s TYR 249 Cb -0.14 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 1u76 s TYR 249 CO 0.04 -0.65 0.04 0.71 -1.57 0.00 0.00 175.55 174.13 1u76 s TYR 250 N 1.13 3.11 -0.13 2.71 1.51 0.29 -0.42 117.35 125.56 1u76 s TYR 250 Ca 0.01 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 1u76 s TYR 250 Cb -0.14 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1u76 s TYR 250 CO -0.06 -0.16 -0.20 -1.17 -1.11 0.00 0.00 175.55 172.84 1u76 s LEU 251 N 1.02 2.24 0.21 -1.29 2.96 -0.38 -0.89 118.68 122.56 1u76 s LEU 251 Ca 0.03 -0.53 -0.30 0.00 -0.22 0.00 0.00 54.13 53.12 1u76 s LEU 251 Cb -0.14 -1.47 -0.08 0.00 0.50 0.00 0.00 46.19 44.99 1u76 s LEU 251 CO 0.03 0.12 1.20 0.00 -1.32 0.00 0.00 176.35 176.38 1u76 s ALA 252 N 0.57 3.44 0.92 5.97 0.00 -0.10 -0.79 121.76 131.76 1u76 s ALA 252 Ca -0.12 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 1u76 s ALA 252 Cb -0.17 -3.41 0.14 0.00 0.00 0.00 0.00 23.12 19.69 1u76 s ALA 252 CO 0.04 -0.37 1.17 -1.25 0.00 0.00 0.00 175.76 175.34 1u76 s PRO 253 N -0.51 1.09 -0.14 0.00 0.04 -1.26 -4.84 135.00 129.38 1u76 s PRO 253 Ca 0.52 0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 1u76 s PRO 253 Cb -0.33 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1u76 s PRO 253 CO 0.38 -2.20 0.22 0.15 0.04 0.00 0.00 177.00 175.59 1u76 s LYS 254 N -5.42 3.96 0.18 4.56 1.02 -0.08 -5.02 119.74 118.94 1u76 s LYS 254 Ca 0.65 -0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.66 1u76 s LYS 254 Cb -0.12 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 1u76 s LYS 254 CO 0.53 0.47 0.25 0.42 -0.92 0.00 0.00 175.35 176.09 1u76 s ILE 255 N -0.18 5.03 0.12 2.17 1.09 -1.26 -4.52 121.20 123.64 1u76 s ILE 255 Ca 0.15 -0.90 -0.12 0.00 -1.10 0.00 0.00 60.65 58.67 1u76 s ILE 255 Cb -0.13 -3.62 -0.06 0.00 -1.06 0.00 0.00 42.46 37.59 1u76 s ILE 255 CO 0.03 -0.16 0.49 -1.83 -0.10 0.00 0.00 174.94 173.37 1u76 s GLU 256 N -3.39 3.88 0.00 2.79 1.03 -1.26 -5.18 118.70 116.58 1u76 s GLU 256 Ca 0.33 0.35 0.14 0.00 0.03 0.00 0.00 54.97 55.82 1u76 s GLU 256 Cb -0.10 -2.95 0.11 0.00 -0.80 0.00 0.00 34.13 30.38 1u76 s GLU 256 CO 0.27 0.51 0.93 -0.25 -1.33 0.00 0.00 175.26 175.39