#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrd s ASN 2 N 0.00 6.69 0.76 6.12 0.01 -1.26 -5.05 114.94 122.20 3hrd s ASN 2 Ca 0.00 0.95 -0.11 0.00 -0.71 0.00 0.00 52.86 52.99 3hrd s ASN 2 Cb 0.00 -2.24 0.05 0.00 0.41 0.00 0.00 41.25 39.47 3hrd s ASN 2 CO 0.00 0.01 1.08 -0.54 -1.51 0.00 0.00 177.10 176.14 3hrd s LYS 3 N -2.47 2.41 0.30 -0.60 1.02 -1.26 -4.53 119.74 114.61 3hrd s LYS 3 Ca 0.43 0.86 0.07 0.00 0.02 0.00 0.00 55.97 57.35 3hrd s LYS 3 Cb -0.13 -1.94 -0.06 0.00 -0.52 0.00 0.00 37.83 35.19 3hrd s LYS 3 CO 0.20 -1.45 -0.05 0.96 -0.92 0.00 0.00 175.35 174.09 3hrd s ILE 4 N -3.06 1.76 -0.18 2.17 -4.36 0.53 -4.92 121.20 113.13 3hrd s ILE 4 Ca 0.60 -2.13 -0.04 0.00 -0.26 0.00 0.00 60.65 58.82 3hrd s ILE 4 Cb -0.15 -2.54 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 3hrd s ILE 4 CO 0.55 -0.24 -0.04 -0.89 0.24 0.00 0.00 174.94 174.56 3hrd s THR 5 N -2.93 3.63 -0.22 8.37 2.01 -1.26 -0.66 115.64 124.58 3hrd s THR 5 Ca 0.31 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.85 3hrd s THR 5 Cb 0.04 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.94 3hrd s THR 5 CO 0.13 0.46 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.83 3hrd s ILE 6 N 0.89 3.10 -0.20 1.82 1.01 0.58 -4.98 121.20 123.42 3hrd s ILE 6 Ca -0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3hrd s ILE 6 Cb -0.15 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3hrd s ILE 6 CO 0.01 0.38 0.00 0.20 0.00 0.00 0.00 174.94 175.53 3hrd s ASN 7 N 1.42 4.85 0.17 3.58 0.01 -1.26 -1.96 114.94 121.75 3hrd s ASN 7 Ca 0.04 -0.20 -0.17 0.00 -0.71 0.00 0.00 52.86 51.83 3hrd s ASN 7 Cb -0.15 -1.83 0.03 0.00 0.41 0.00 0.00 41.25 39.71 3hrd s ASN 7 CO -0.05 0.06 0.47 -1.48 -1.51 0.00 0.00 177.10 174.59 3hrd s LEU 8 N 1.01 0.23 -0.43 0.60 2.34 -0.92 0.58 118.68 122.08 3hrd s LEU 8 Ca 0.02 -0.43 -0.14 0.00 0.06 0.00 0.00 54.13 53.64 3hrd s LEU 8 Cb -0.14 1.98 0.06 0.00 -0.56 0.00 0.00 46.19 47.53 3hrd s LEU 8 CO 0.02 -0.97 0.32 0.21 -1.06 0.00 0.00 176.35 174.87 3hrd s ASN 9 N -2.85 5.99 -0.28 1.48 3.84 0.22 0.19 114.94 123.53 3hrd s ASN 9 Ca 0.07 -1.21 -0.07 0.00 0.21 0.00 0.00 52.86 51.87 3hrd s ASN 9 Cb 0.00 -2.12 0.00 0.00 -0.55 0.00 0.00 41.25 38.58 3hrd s ASN 9 CO -0.06 -0.54 0.06 -0.22 -2.79 0.00 0.00 177.10 173.55 3hrd s LEU 10 N 1.60 3.68 -1.45 3.21 2.96 0.79 -0.48 118.68 129.00 3hrd s LEU 10 Ca 0.04 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.27 3hrd s LEU 10 Cb -0.22 -1.87 0.05 0.00 0.50 0.00 0.00 46.19 44.65 3hrd s LEU 10 CO 0.07 -0.15 0.79 0.59 -1.32 0.00 0.00 176.35 176.33 3hrd n ASN 11 N 4.87 -2.80 0.00 3.68 3.02 -0.40 -2.19 115.26 121.44 3hrd n ASN 11 Ca -0.15 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3hrd n ASN 11 Cb 0.49 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 3hrd n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hrd n GLY 12 N -1.67 3.35 3.38 7.41 0.00 -1.26 -4.91 105.19 111.49 3hrd n GLY 12 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3hrd n GLY 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hrd s GLU 13 N -0.78 1.59 -0.12 1.61 -1.05 -0.93 -5.09 118.70 113.93 3hrd s GLU 13 Ca 0.00 -1.24 -0.29 0.00 -0.15 0.00 0.00 54.97 53.28 3hrd s GLU 13 Cb 0.00 -1.95 -0.03 0.00 -0.44 0.00 0.00 34.13 31.71 3hrd s GLU 13 CO 0.00 0.48 1.39 0.00 0.95 0.00 0.00 175.26 178.08 3hrd s ALA 14 N -0.97 3.64 0.27 -0.84 0.00 -1.26 -0.15 121.76 122.45 3hrd s ALA 14 Ca 0.14 0.64 0.11 0.00 0.00 0.00 0.00 51.96 52.84 3hrd s ALA 14 Cb -0.10 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 3hrd s ALA 14 CO 0.05 -1.22 -0.13 1.03 0.00 0.00 0.00 175.76 175.49 3hrd s ARG 15 N 3.56 1.89 -0.12 0.00 1.81 0.13 -4.93 118.95 121.29 3hrd s ARG 15 Ca 0.61 -1.64 -0.07 0.00 -1.72 0.00 0.00 55.73 52.91 3hrd s ARG 15 Cb -0.26 -1.91 0.05 0.00 -0.45 0.00 0.00 34.95 32.38 3hrd s ARG 15 CO 0.20 0.35 0.30 0.45 -0.68 0.00 0.00 175.30 175.92 3hrd s SER 16 N -3.53 -0.34 -0.06 0.23 0.15 -1.26 -2.16 113.70 106.73 3hrd s SER 16 Ca 0.30 0.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.54 3hrd s SER 16 Cb -0.06 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 3hrd s SER 16 CO 0.17 -0.16 0.15 -0.51 1.20 0.00 0.00 173.24 174.08 3hrd s ILE 17 N 1.14 0.00 -0.34 6.45 2.07 -0.83 -4.99 121.20 124.70 3hrd s ILE 17 Ca -0.08 -0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.07 3hrd s ILE 17 Cb -0.09 -0.21 0.02 0.00 0.13 0.00 0.00 42.46 42.31 3hrd s ILE 17 CO -0.08 -0.00 0.15 -0.69 -1.91 0.00 0.00 174.94 172.40 3hrd s VAL 18 N 0.07 4.28 0.25 4.00 1.01 -1.26 -0.31 120.40 128.44 3hrd s VAL 18 Ca -0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 3hrd s VAL 18 Cb -0.01 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3hrd s VAL 18 CO 0.00 -0.10 0.35 0.28 0.00 0.00 0.00 175.10 175.63 3hrd s THR 19 N 1.52 0.00 0.26 3.92 -1.32 0.16 -4.92 115.64 115.27 3hrd s THR 19 Ca 0.02 -1.66 -0.29 0.00 -1.21 0.00 0.00 61.69 58.54 3hrd s THR 19 Cb -0.18 -2.39 -0.09 0.00 -1.51 0.00 0.00 72.50 68.33 3hrd s THR 19 CO 0.05 0.00 1.26 -1.61 -2.21 0.00 0.00 174.62 172.11 3hrd s GLU 20 N -3.89 4.43 0.48 7.08 8.01 -1.26 -0.35 118.70 133.19 3hrd s GLU 20 Ca 0.30 2.06 0.27 0.00 0.01 0.00 0.00 54.97 57.61 3hrd s GLU 20 Cb 0.02 -3.15 0.93 0.00 -4.31 0.00 0.00 34.13 27.62 3hrd s GLU 20 CO 0.12 -0.13 1.82 -1.00 0.01 0.00 0.00 175.26 176.08 3hrd h PRO 21 N 4.34 0.00 -3.42 0.39 0.13 -1.92 -3.39 132.00 128.13 3hrd h PRO 21 Ca -0.47 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.99 3hrd h PRO 21 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3hrd h PRO 21 CO 0.71 0.10 3.53 0.27 -0.23 0.00 0.00 178.00 182.38 3hrd n ASN 22 N -3.19 6.69 -3.61 1.44 6.94 -1.26 -4.42 115.26 117.85 3hrd n ASN 22 Ca 0.01 -2.67 -0.13 0.00 -0.02 0.00 0.00 54.58 51.77 3hrd n ASN 22 Cb 0.42 -1.58 -0.06 0.00 -2.36 0.00 0.00 39.78 36.20 3hrd n ASN 22 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3hrd s LYS 23 N 2.64 1.00 0.62 -3.83 -2.85 -1.26 -5.08 119.74 110.97 3hrd s LYS 23 Ca 0.60 -0.32 -0.09 0.00 -1.00 0.00 0.00 55.97 55.17 3hrd s LYS 23 Cb 0.16 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.37 3hrd s LYS 23 CO -0.07 -0.36 0.98 1.03 0.10 0.00 0.00 175.35 177.03 3hrd s ARG 24 N -2.56 3.20 0.44 1.78 0.52 -1.26 -0.26 118.95 120.81 3hrd s ARG 24 Ca -0.05 0.39 0.13 0.00 -0.52 0.00 0.00 55.73 55.68 3hrd s ARG 24 Cb -0.01 -2.16 0.97 0.00 0.52 0.00 0.00 34.95 34.28 3hrd s ARG 24 CO -0.03 -0.68 2.00 1.25 0.02 0.00 0.00 175.30 177.86 3hrd h LEU 25 N -0.29 0.09 -0.63 2.53 5.85 0.42 -1.79 115.31 121.49 3hrd h LEU 25 Ca -0.45 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.28 3hrd h LEU 25 Cb 1.23 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3hrd h LEU 25 CO 0.62 0.22 0.40 0.25 -0.34 0.00 0.00 178.44 179.59 3hrd h LEU 26 N 0.09 0.66 -0.49 2.25 5.85 -1.66 -0.86 115.31 121.16 3hrd h LEU 26 Ca 0.02 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3hrd h LEU 26 Cb 0.27 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3hrd h LEU 26 CO 0.02 0.47 -0.16 0.44 -0.34 0.00 0.00 178.44 178.87 3hrd h ASP 27 N 0.79 0.98 -0.09 1.25 3.32 -1.67 -1.37 116.42 119.64 3hrd h ASP 27 Ca 0.24 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 56.93 3hrd h ASP 27 Cb -0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3hrd h ASP 27 CO -0.08 1.14 -0.01 0.25 -1.72 0.00 0.00 179.24 178.81 3hrd h LEU 28 N 0.82 -0.05 -0.15 1.55 5.85 -0.93 0.22 115.31 122.62 3hrd h LEU 28 Ca 0.12 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3hrd h LEU 28 Cb 0.73 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3hrd h LEU 28 CO 0.06 -0.01 0.04 -0.07 -0.34 0.00 0.00 178.44 178.11 3hrd h LEU 29 N 0.02 0.23 0.10 2.25 3.38 -1.11 -1.21 115.31 118.98 3hrd h LEU 29 Ca 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hrd h LEU 29 Cb 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hrd h LEU 29 CO -0.08 0.40 -0.05 0.03 0.09 0.00 0.00 178.44 178.84 3hrd h ARG 30 N 0.05 -0.13 0.00 1.13 3.08 -1.19 -0.98 114.38 116.35 3hrd h ARG 30 Ca 0.05 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3hrd h ARG 30 Cb 0.26 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3hrd h ARG 30 CO 0.00 0.35 -0.11 0.93 -1.07 0.00 0.00 179.97 180.07 3hrd h GLU 31 N -0.68 0.00 -0.03 0.04 4.39 -0.67 -2.79 114.58 114.83 3hrd h GLU 31 Ca -0.01 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 3hrd h GLU 31 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3hrd h GLU 31 CO 0.02 0.35 -0.72 -0.44 -1.16 0.00 0.00 179.01 177.06 3hrd h ASP 32 N -1.00 0.23 -0.07 1.42 3.32 -1.34 -3.30 116.42 115.67 3hrd h ASP 32 Ca -0.02 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3hrd h ASP 32 Cb 0.41 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3hrd h ASP 32 CO -0.01 0.87 0.00 0.49 -1.72 0.00 0.00 179.24 178.87 3hrd n PHE 33 N -3.77 0.07 -1.87 4.55 3.72 -0.55 -5.01 117.46 114.62 3hrd n PHE 33 Ca -0.03 -0.06 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 3hrd n PHE 33 Cb 0.70 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.17 3hrd n PHE 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hrd n GLY 34 N 0.87 1.18 3.40 1.37 0.00 -0.96 -4.92 105.19 106.12 3hrd n GLY 34 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 3hrd n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hrd n LEU 35 N -2.59 5.39 0.00 0.99 4.77 -0.41 -4.82 117.00 120.33 3hrd n LEU 35 Ca -0.22 -4.57 0.06 0.00 -0.03 0.00 0.00 56.01 51.25 3hrd n LEU 35 Cb 0.69 -1.58 0.34 0.00 -2.33 0.00 0.00 43.42 40.53 3hrd n LEU 35 CO 0.31 0.88 0.67 0.35 -1.33 0.00 0.00 177.39 178.27 3hrd n THR 36 N 4.17 0.62 0.26 -5.08 -2.24 -1.26 -2.28 114.28 108.47 3hrd n THR 36 Ca 0.35 0.15 0.14 0.00 -2.27 0.00 0.00 64.05 62.42 3hrd n THR 36 Cb 0.41 -0.94 0.70 0.00 -2.10 0.00 0.00 70.33 68.41 3hrd n THR 36 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hrd h SER 37 N 0.00 0.00 -3.03 3.42 4.64 -1.97 -3.38 113.55 113.22 3hrd h SER 37 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3hrd h SER 37 Cb 0.12 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.13 3hrd h SER 37 CO 0.00 0.12 0.96 -0.69 -0.87 0.00 0.00 176.83 176.35 3hrd s VAL 38 N -3.98 3.99 0.33 0.95 1.01 -0.96 -4.73 120.40 117.00 3hrd s VAL 38 Ca -0.02 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 62.65 3hrd s VAL 38 Cb 0.12 -4.75 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 3hrd s VAL 38 CO 0.58 -1.43 0.64 -0.54 0.00 0.00 0.00 175.10 174.35 3hrd s LYS 39 N 5.03 3.71 -0.39 2.72 -0.14 -1.06 -4.87 119.74 124.73 3hrd s LYS 39 Ca 0.41 0.22 0.02 0.00 -1.36 0.00 0.00 55.97 55.25 3hrd s LYS 39 Cb -0.08 -2.54 0.11 0.00 -1.68 0.00 0.00 37.83 33.64 3hrd s LYS 39 CO 0.23 0.12 0.14 -2.00 -0.76 0.00 0.00 175.35 173.08 3hrd s GLU 40 N -3.61 1.73 -0.01 1.68 2.12 -1.26 -2.26 118.70 117.08 3hrd s GLU 40 Ca 0.47 -1.99 0.22 0.00 0.36 0.00 0.00 54.97 54.03 3hrd s GLU 40 Cb -0.11 -3.35 -0.27 0.00 0.26 0.00 0.00 34.13 30.67 3hrd s GLU 40 CO 0.30 -1.01 0.69 0.41 -0.54 0.00 0.00 175.26 175.11 3hrd n GLY 41 N 4.16 -1.02 0.00 -1.50 0.00 -1.26 -4.84 105.19 100.73 3hrd n GLY 41 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3hrd n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd n SER 43 N -0.24 -4.40 -1.29 0.00 7.64 -1.26 -4.85 113.62 109.22 3hrd n SER 43 Ca 0.00 0.01 0.04 0.00 1.01 0.00 0.00 58.87 59.92 3hrd n SER 43 Cb 0.00 -1.93 0.03 0.00 -1.01 0.00 0.00 64.21 61.29 3hrd n SER 43 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3hrd n GLU 44 N -1.18 0.09 -0.53 1.43 0.28 -1.26 -4.91 120.64 114.56 3hrd n GLU 44 Ca -0.00 -1.91 0.00 0.00 -0.16 0.00 0.00 57.16 55.08 3hrd n GLU 44 Cb 0.24 -0.17 0.00 0.00 1.43 0.00 0.00 31.44 32.94 3hrd n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hrd n GLY 45 N 0.33 1.29 0.07 -1.84 0.00 -1.26 -4.91 105.19 98.87 3hrd n GLY 45 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3hrd n GLY 45 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hrd h GLU 46 N 1.89 -0.01 0.00 1.61 4.39 -1.94 -3.38 114.58 117.14 3hrd h GLU 46 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3hrd h GLU 46 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3hrd h GLU 46 CO 0.00 0.82 -0.18 0.00 -1.16 0.00 0.00 179.01 178.48 3hrd n GLY 48 N 0.18 0.53 0.30 0.00 0.00 -1.20 -1.57 105.19 103.43 3hrd n GLY 48 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 3hrd n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd h ALA 49 N 0.00 1.02 -0.54 4.61 0.00 -1.86 -2.09 119.26 120.40 3hrd h ALA 49 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hrd h ALA 49 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hrd h ALA 49 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3hrd s THR 51 N -1.95 2.51 0.05 0.00 2.01 -0.79 -2.76 115.64 114.72 3hrd s THR 51 Ca 0.44 0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.92 3hrd s THR 51 Cb 0.29 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3hrd s THR 51 CO 0.19 0.10 -0.01 0.68 -0.69 0.00 0.00 174.62 174.90 3hrd s VAL 52 N -1.17 0.20 -0.25 3.82 -7.23 -0.86 -4.69 120.40 110.22 3hrd s VAL 52 Ca 0.53 -1.61 -0.22 0.00 -1.81 0.00 0.00 61.98 58.86 3hrd s VAL 52 Cb -0.41 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 3hrd s VAL 52 CO 0.54 -0.89 0.73 -0.63 -0.31 0.00 0.00 175.10 174.54 3hrd s ILE 53 N -3.55 4.91 -0.24 -0.62 1.01 -0.64 -1.79 121.20 120.28 3hrd s ILE 53 Ca 0.03 1.33 0.01 0.00 0.00 0.00 0.00 60.65 62.02 3hrd s ILE 53 Cb 0.05 -4.03 0.04 0.00 0.01 0.00 0.00 42.46 38.53 3hrd s ILE 53 CO -0.09 -0.03 -0.11 0.12 0.00 0.00 0.00 174.94 174.83 3hrd s PHE 54 N 2.68 3.08 -1.68 3.97 5.36 0.17 -0.88 117.98 130.68 3hrd s PHE 54 Ca 0.30 -1.87 -0.15 0.00 -0.96 0.00 0.00 56.93 54.26 3hrd s PHE 54 Cb -0.15 -1.98 0.13 0.00 -0.34 0.00 0.00 43.02 40.68 3hrd s PHE 54 CO 0.08 -0.81 0.60 0.09 -1.46 0.00 0.00 175.22 173.72 3hrd n ASN 55 N 4.57 -2.03 0.00 6.13 5.03 0.32 -0.12 115.26 129.16 3hrd n ASN 55 Ca -0.17 -1.09 0.00 0.00 0.87 0.00 0.00 54.58 54.19 3hrd n ASN 55 Cb 0.46 -2.42 0.00 0.00 -1.02 0.00 0.00 39.78 36.80 3hrd n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hrd n GLY 56 N -1.55 1.48 3.31 7.41 0.00 -1.26 -5.04 105.19 109.53 3hrd n GLY 56 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3hrd n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hrd s ASP 57 N -3.14 2.88 -0.00 1.61 1.01 0.83 -4.91 116.67 114.95 3hrd s ASP 57 Ca 0.00 -0.58 -0.30 0.00 0.71 0.00 0.00 52.55 52.38 3hrd s ASP 57 Cb 0.00 -0.24 -0.05 0.00 1.01 0.00 0.00 42.92 43.64 3hrd s ASP 57 CO 0.00 0.21 1.26 -2.16 0.21 0.00 0.00 175.17 174.69 3hrd s PRO 58 N -1.30 4.35 0.08 8.23 0.04 -1.26 0.46 135.00 145.60 3hrd s PRO 58 Ca 0.10 1.80 0.02 0.00 0.04 0.00 0.00 61.00 62.96 3hrd s PRO 58 Cb -0.10 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 3hrd s PRO 58 CO 0.02 -0.43 -0.08 0.14 0.04 0.00 0.00 177.00 176.70 3hrd s VAL 59 N 1.90 0.70 -0.42 -0.36 -7.23 -0.74 -4.93 120.40 109.31 3hrd s VAL 59 Ca 0.59 -1.59 -0.22 0.00 -1.81 0.00 0.00 61.98 58.96 3hrd s VAL 59 Cb -0.28 -1.26 0.02 0.00 0.56 0.00 0.00 36.38 35.42 3hrd s VAL 59 CO 0.26 -0.64 0.70 0.42 -0.31 0.00 0.00 175.10 175.52 3hrd s THR 60 N -2.63 4.77 -0.14 5.32 -4.23 -1.26 -2.02 115.64 115.45 3hrd s THR 60 Ca 0.03 0.36 0.29 0.00 -1.18 0.00 0.00 61.69 61.19 3hrd s THR 60 Cb -0.01 -4.22 0.31 0.00 1.34 0.00 0.00 72.50 69.91 3hrd s THR 60 CO -0.02 -0.58 1.86 0.71 -0.54 0.00 0.00 174.62 176.05 3hrd h THR 61 N 5.87 0.00 0.00 3.99 1.35 -1.89 -2.38 112.91 119.86 3hrd h THR 61 Ca -0.25 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3hrd h THR 61 Cb 1.09 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3hrd h THR 61 CO 0.91 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.18 3hrd s MET 64 N -1.53 1.54 0.29 0.00 1.00 -1.09 -5.05 119.30 114.46 3hrd s MET 64 Ca 0.38 -1.07 -0.20 0.00 0.00 0.00 0.00 55.69 54.80 3hrd s MET 64 Cb 0.23 -1.73 -0.09 0.00 0.00 0.00 0.00 34.83 33.23 3hrd s MET 64 CO 0.32 0.44 0.80 -0.51 0.00 0.00 0.00 175.02 176.07 3hrd s LEU 65 N -1.34 4.25 0.24 -0.03 1.02 -1.26 0.84 118.68 122.40 3hrd s LEU 65 Ca 0.10 1.52 -0.05 0.00 0.02 0.00 0.00 54.13 55.72 3hrd s LEU 65 Cb -0.09 -3.89 0.46 0.00 0.02 0.00 0.00 46.19 42.69 3hrd s LEU 65 CO 0.02 -0.08 1.69 0.00 0.02 0.00 0.00 176.35 178.01 3hrd h ALA 66 N 2.97 0.97 0.00 4.21 0.00 -0.78 -1.24 119.26 125.40 3hrd h ALA 66 Ca -0.48 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hrd h ALA 66 Cb 1.19 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3hrd h ALA 66 CO 0.65 -0.32 -0.00 0.78 0.00 0.00 0.00 179.25 180.36 3hrd h GLY 67 N 0.30 0.00 1.55 0.00 0.00 -1.83 -1.72 103.07 101.37 3hrd h GLY 67 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3hrd h GLY 67 CO -0.49 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 174.99 3hrd n GLN 68 N -3.27 0.28 -0.04 4.80 6.02 -0.47 -1.98 117.38 122.72 3hrd n GLN 68 Ca -0.03 0.10 0.12 0.00 -0.01 0.00 0.00 57.00 57.19 3hrd n GLN 68 Cb 0.09 -1.50 0.47 0.00 1.02 0.00 0.00 30.24 30.32 3hrd n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hrd n ALA 69 N -1.28 2.55 -1.78 -1.58 0.00 -0.65 -4.86 120.51 112.93 3hrd n ALA 69 Ca 0.09 -0.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 3hrd n ALA 69 Cb 0.15 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 3hrd n ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hrd s ASP 70 N -1.80 6.56 -0.94 0.00 2.15 -0.84 -2.00 116.67 119.80 3hrd s ASP 70 Ca 0.36 2.87 0.00 0.00 0.43 0.00 0.00 52.55 56.21 3hrd s ASP 70 Cb 0.19 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 3hrd s ASP 70 CO 0.30 -0.71 0.00 -0.62 -0.17 0.00 0.00 175.17 173.98 3hrd n GLU 71 N 0.65 -1.59 -3.59 4.34 1.02 0.20 -4.96 120.64 116.70 3hrd n GLU 71 Ca 0.01 0.79 -0.20 0.00 -0.02 0.00 0.00 57.16 57.73 3hrd n GLU 71 Cb 0.40 -5.12 -0.02 0.00 -0.02 0.00 0.00 31.44 26.69 3hrd n GLU 71 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hrd s SER 72 N -2.37 5.66 -0.22 1.62 1.04 -0.85 -4.95 113.70 113.63 3hrd s SER 72 Ca 0.00 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 3hrd s SER 72 Cb 0.00 -1.09 0.02 0.00 0.10 0.00 0.00 66.02 65.05 3hrd s SER 72 CO 0.00 -0.42 -0.10 -0.89 0.98 0.00 0.00 173.24 172.81 3hrd s THR 73 N -2.24 2.67 -0.02 2.02 2.01 -1.26 -0.61 115.64 118.21 3hrd s THR 73 Ca 0.44 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.57 3hrd s THR 73 Cb -0.08 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 3hrd s THR 73 CO 0.29 0.32 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.66 3hrd s ILE 74 N 1.33 2.00 -0.15 1.82 1.01 0.37 -0.52 121.20 127.06 3hrd s ILE 74 Ca 0.02 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 3hrd s ILE 74 Cb -0.15 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.68 3hrd s ILE 74 CO -0.07 0.57 -0.09 -0.63 0.00 0.00 0.00 174.94 174.72 3hrd s ILE 75 N -0.57 1.28 0.51 2.92 1.01 -0.06 -1.27 121.20 125.02 3hrd s ILE 75 Ca 0.09 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.25 3hrd s ILE 75 Cb -0.10 -1.32 0.05 0.00 0.01 0.00 0.00 42.46 41.10 3hrd s ILE 75 CO -0.01 0.30 0.61 0.42 0.00 0.00 0.00 174.94 176.26 3hrd s THR 76 N 1.59 2.30 0.26 2.92 -4.23 -1.26 -1.63 115.64 115.59 3hrd s THR 76 Ca 0.03 -1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 3hrd s THR 76 Cb -0.14 -2.45 0.23 0.00 1.34 0.00 0.00 72.50 71.49 3hrd s THR 76 CO -0.09 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.04 3hrd h LEU 77 N 0.51 0.65 -1.92 4.79 5.85 -1.90 0.10 115.31 123.40 3hrd h LEU 77 Ca -0.35 0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.61 3hrd h LEU 77 Cb 1.29 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 3hrd h LEU 77 CO 0.47 0.33 0.55 -0.33 -0.34 0.00 0.00 178.44 179.13 3hrd h GLU 78 N 0.75 0.00 -0.36 1.25 3.07 -1.97 0.21 114.58 117.53 3hrd h GLU 78 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3hrd h GLU 78 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3hrd h GLU 78 CO -0.29 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.73 3hrd n GLY 79 N -1.57 0.93 0.12 -3.84 0.00 0.36 -4.06 105.19 97.13 3hrd n GLY 79 Ca 0.11 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 3hrd n GLY 79 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hrd h VAL 80 N 2.72 0.77 -3.09 1.61 2.07 -0.99 -3.48 116.25 115.85 3hrd h VAL 80 Ca 0.00 -2.51 -0.58 0.00 0.82 0.00 0.00 66.70 64.43 3hrd h VAL 80 Cb 0.61 2.53 0.13 0.00 -1.52 0.00 0.00 31.29 33.04 3hrd h VAL 80 CO 0.00 0.77 0.14 0.00 0.02 0.00 0.00 177.57 178.50 3hrd n ALA 81 N -2.82 0.15 -3.23 1.67 0.00 -1.26 -4.56 120.51 110.46 3hrd n ALA 81 Ca -0.25 0.21 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 3hrd n ALA 81 Cb 1.05 -2.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.30 3hrd n ALA 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hrd s GLU 82 N -2.07 2.62 -1.43 0.00 2.02 0.47 -4.61 118.70 115.71 3hrd s GLU 82 Ca 0.64 -1.18 -0.02 0.00 0.02 0.00 0.00 54.97 54.43 3hrd s GLU 82 Cb -0.54 -3.45 0.02 0.00 0.10 0.00 0.00 34.13 30.25 3hrd s GLU 82 CO 0.56 -0.66 0.50 -0.40 0.02 0.00 0.00 175.26 175.28 3hrd n ASP 83 N 4.81 -0.85 -0.32 -0.19 5.68 -1.26 -0.61 116.55 123.81 3hrd n ASP 83 Ca -0.12 -0.98 -0.04 0.00 -0.50 0.00 0.00 54.79 53.15 3hrd n ASP 83 Cb 0.45 -3.16 -0.02 0.00 -1.14 0.00 0.00 41.12 37.25 3hrd n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hrd n GLY 84 N -1.88 0.63 3.39 6.12 0.00 -1.26 -5.01 105.19 107.19 3hrd n GLY 84 Ca -0.26 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 3hrd n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hrd s LYS 85 N -1.73 1.44 0.09 1.61 -0.14 0.22 -5.10 119.74 116.13 3hrd s LYS 85 Ca 0.00 -1.49 -0.31 0.00 -1.36 0.00 0.00 55.97 52.81 3hrd s LYS 85 Cb 0.00 -1.68 -0.08 0.00 -1.68 0.00 0.00 37.83 34.38 3hrd s LYS 85 CO 0.00 0.36 1.57 -2.14 -0.76 0.00 0.00 175.35 174.37 3hrd s PRO 86 N -2.70 4.23 1.20 -1.68 0.02 -1.26 -0.39 135.00 134.41 3hrd s PRO 86 Ca 0.19 2.26 -0.17 0.00 0.02 0.00 0.00 61.00 63.31 3hrd s PRO 86 Cb -0.07 -3.42 0.28 0.00 0.02 0.00 0.00 34.50 31.31 3hrd s PRO 86 CO 0.09 -0.64 1.04 -1.54 -0.33 0.00 0.00 177.00 175.62 3hrd s SER 87 N 1.81 0.83 0.10 2.53 1.04 -1.26 -4.61 113.70 114.14 3hrd s SER 87 Ca 0.70 1.01 -0.23 0.00 0.48 0.00 0.00 55.95 57.91 3hrd s SER 87 Cb -0.40 -1.52 -0.12 0.00 0.10 0.00 0.00 66.02 64.09 3hrd s SER 87 CO 0.31 -4.22 1.72 0.25 0.98 0.00 0.00 173.24 172.28 3hrd h LEU 88 N -2.64 -0.13 -0.57 2.42 5.85 -1.95 0.37 115.31 118.66 3hrd h LEU 88 Ca -0.51 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.32 3hrd h LEU 88 Cb 1.33 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 3hrd h LEU 88 CO 0.43 -0.07 0.18 0.25 -0.34 0.00 0.00 178.44 178.88 3hrd h LEU 89 N -0.08 0.13 -0.78 2.25 5.85 -1.93 -0.06 115.31 120.69 3hrd h LEU 89 Ca 0.02 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3hrd h LEU 89 Cb 0.11 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3hrd h LEU 89 CO -0.05 0.09 0.21 1.56 -0.34 0.00 0.00 178.44 179.91 3hrd h GLN 90 N 0.34 1.13 -0.25 1.25 4.20 -1.80 -2.04 115.11 117.94 3hrd h GLN 90 Ca 0.29 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3hrd h GLN 90 Cb 0.38 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3hrd h GLN 90 CO -0.32 0.97 -0.07 0.37 -0.67 0.00 0.00 178.83 179.11 3hrd h GLN 91 N 1.08 0.39 -0.15 1.46 5.75 -0.00 -2.04 115.11 121.60 3hrd h GLN 91 Ca 0.23 -0.09 -0.15 0.00 -0.15 0.00 0.00 58.65 58.50 3hrd h GLN 91 Cb 0.32 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3hrd h GLN 91 CO -0.00 0.48 -0.53 0.00 -2.65 0.00 0.00 178.83 176.12 3hrd h PHE 93 N 0.34 1.03 -0.47 0.00 0.04 -0.95 0.09 116.94 117.02 3hrd h PHE 93 Ca 0.01 -0.22 0.03 0.00 2.80 0.00 0.00 57.97 60.60 3hrd h PHE 93 Cb 1.04 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.90 3hrd h PHE 93 CO 0.03 0.99 0.25 -0.07 -0.60 0.00 0.00 178.31 178.92 3hrd h LEU 94 N 0.81 0.38 0.00 1.54 3.38 -1.12 -3.21 115.31 117.10 3hrd h LEU 94 Ca 0.12 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 3hrd h LEU 94 Cb 0.69 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3hrd h LEU 94 CO 0.05 0.27 -1.30 -0.33 0.09 0.00 0.00 178.44 177.22 3hrd h GLU 95 N 0.50 0.00 0.00 1.13 5.08 -1.20 -3.36 114.58 116.73 3hrd h GLU 95 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3hrd h GLU 95 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hrd h GLU 95 CO -0.12 0.62 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 3hrd n ALA 96 N -2.43 2.16 -1.44 3.43 0.00 0.00 -4.89 120.51 117.35 3hrd n ALA 96 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 3hrd n ALA 96 Cb 0.95 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 3hrd n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hrd n GLY 97 N 1.06 0.39 0.00 0.00 0.00 -1.23 -4.83 105.19 100.57 3hrd n GLY 97 Ca 0.07 -0.98 0.13 0.00 0.00 0.00 0.00 46.02 45.23 3hrd n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hrd n ALA 98 N 0.15 2.28 -3.35 4.61 0.00 -1.21 -4.73 120.51 118.25 3hrd n ALA 98 Ca -0.01 -0.11 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 3hrd n ALA 98 Cb 0.22 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.11 3hrd n ALA 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hrd s VAL 99 N -2.74 3.64 0.00 0.00 1.01 -1.26 -4.63 120.40 116.42 3hrd s VAL 99 Ca 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3hrd s VAL 99 Cb 0.18 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3hrd s VAL 99 CO 0.43 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.73 3hrd n GLN 100 N 4.81 0.00 0.23 2.72 6.02 -1.26 -4.84 117.38 125.06 3hrd n GLN 100 Ca -0.16 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.93 3hrd n GLN 100 Cb 0.49 0.00 0.52 0.00 1.02 0.00 0.00 30.24 32.27 3hrd n GLN 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hrd n GLY 102 N -0.10 0.75 0.14 0.00 0.00 -1.26 -4.94 105.19 99.79 3hrd n GLY 102 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hrd n GLY 102 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hrd h TYR 103 N 0.00 0.30 0.00 1.61 3.20 -2.01 -3.12 116.97 116.95 3hrd h TYR 103 Ca 0.00 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.72 3hrd h TYR 103 Cb 0.01 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3hrd h TYR 103 CO 0.01 0.93 -0.45 0.00 -1.64 0.00 0.00 178.16 177.00 3hrd h THR 105 N 0.00 0.97 -0.58 0.00 2.02 -1.93 -0.78 112.91 112.60 3hrd h THR 105 Ca 0.00 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.99 3hrd h THR 105 Cb 0.52 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3hrd h THR 105 CO 0.00 0.12 0.33 -0.65 0.37 0.00 0.00 175.52 175.70 3hrd h PRO 106 N 0.67 0.63 -0.51 6.66 0.11 -1.77 -0.05 132.00 137.73 3hrd h PRO 106 Ca 0.29 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 3hrd h PRO 106 Cb 0.18 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3hrd h PRO 106 CO -0.18 0.42 0.22 0.78 -0.21 0.00 0.00 178.00 179.02 3hrd h GLY 107 N 0.65 0.82 0.97 -0.55 0.00 -1.66 -1.87 103.07 101.43 3hrd h GLY 107 Ca 0.24 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hrd h GLY 107 CO -0.13 0.41 0.15 -0.33 0.00 0.00 0.00 176.54 176.64 3hrd h MET 108 N 0.69 0.34 -0.46 4.80 2.86 -0.62 -1.48 114.93 121.06 3hrd h MET 108 Ca 0.17 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3hrd h MET 108 Cb 0.18 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3hrd h MET 108 CO -0.02 0.28 0.24 0.82 1.06 0.00 0.00 176.91 179.29 3hrd h ILE 109 N 0.31 1.17 -0.59 -1.22 2.04 -0.92 -1.03 117.51 117.28 3hrd h ILE 109 Ca 0.09 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3hrd h ILE 109 Cb 0.03 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3hrd h ILE 109 CO -0.02 0.19 0.25 -0.07 0.00 0.00 0.00 178.15 178.51 3hrd h LEU 110 N 0.60 0.79 -0.58 1.44 3.38 -1.21 0.75 115.31 120.48 3hrd h LEU 110 Ca 0.16 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hrd h LEU 110 Cb 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3hrd h LEU 110 CO -0.02 0.73 0.14 0.74 0.09 0.00 0.00 178.44 180.11 3hrd h THR 111 N 0.80 1.25 0.24 0.22 2.02 -1.12 0.83 112.91 117.15 3hrd h THR 111 Ca 0.20 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3hrd h THR 111 Cb 0.17 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3hrd h THR 111 CO -0.02 0.33 -0.12 0.00 0.37 0.00 0.00 175.52 176.09 3hrd h ALA 112 N 1.02 -0.33 -0.73 6.16 0.00 -0.87 -2.60 119.26 121.93 3hrd h ALA 112 Ca 0.18 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3hrd h ALA 112 Cb 0.35 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3hrd h ALA 112 CO 0.00 -0.63 0.41 -0.22 0.00 0.00 0.00 179.25 178.81 3hrd h LYS 113 N -0.42 0.71 -0.79 0.00 3.64 -0.71 -0.55 116.57 118.45 3hrd h LYS 113 Ca -0.03 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3hrd h LYS 113 Cb 0.32 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3hrd h LYS 113 CO 0.05 0.47 0.52 0.00 -2.27 0.00 0.00 179.45 178.22 3hrd h ALA 114 N 1.38 1.64 0.12 5.00 0.00 -0.70 -0.36 119.26 126.33 3hrd h ALA 114 Ca 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3hrd h ALA 114 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hrd h ALA 114 CO -0.20 0.24 -0.06 1.25 0.00 0.00 0.00 179.25 180.48 3hrd h LEU 115 N 0.85 -0.13 -2.09 0.00 5.85 -0.90 -3.21 115.31 115.67 3hrd h LEU 115 Ca 0.34 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3hrd h LEU 115 Cb 0.24 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3hrd h LEU 115 CO -0.12 0.36 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.23 3hrd h LEU 116 N -0.68 0.00 -0.84 2.25 3.38 -0.72 0.48 115.31 119.19 3hrd h LEU 116 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hrd h LEU 116 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hrd h LEU 116 CO 0.03 0.04 0.00 0.44 0.09 0.00 0.00 178.44 179.04 3hrd h ASP 117 N 0.00 0.00 0.00 -0.43 3.32 -1.12 -2.98 116.42 115.21 3hrd h ASP 117 Ca -0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 3hrd h ASP 117 Cb 0.09 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.57 3hrd h ASP 117 CO 0.01 0.00 -2.44 0.29 -1.72 0.00 0.00 179.24 175.38 3hrd n LYS 118 N -2.98 0.60 -3.64 3.56 5.02 -0.41 -4.86 118.16 115.44 3hrd n LYS 118 Ca 0.02 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.20 3hrd n LYS 118 Cb 0.38 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.77 3hrd n LYS 118 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3hrd s ASN 119 N -6.76 3.64 0.65 4.39 2.47 0.16 -5.00 114.94 114.49 3hrd s ASN 119 Ca -0.35 -1.96 0.39 0.00 0.42 0.00 0.00 52.86 51.36 3hrd s ASN 119 Cb 0.11 -0.74 2.18 0.00 -1.45 0.00 0.00 41.25 41.35 3hrd s ASN 119 CO 0.53 -0.36 2.28 -0.65 -3.72 0.00 0.00 177.10 175.18 3hrd h PRO 120 N 7.55 0.00 -2.06 0.43 0.11 -1.75 -3.28 132.00 133.00 3hrd h PRO 120 Ca -0.07 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.50 3hrd h PRO 120 Cb 0.98 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.69 3hrd h PRO 120 CO 0.43 0.00 -1.01 -3.47 -0.21 0.00 0.00 178.00 173.74 3hrd n ASP 121 N -3.24 1.41 -4.81 -2.05 -0.08 -1.26 -4.85 116.55 101.67 3hrd n ASP 121 Ca -0.02 -3.02 -0.32 0.00 -1.51 0.00 0.00 54.79 49.91 3hrd n ASP 121 Cb 0.13 -0.63 0.02 0.00 2.34 0.00 0.00 41.12 42.98 3hrd n ASP 121 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3hrd s PRO 122 N -2.05 3.25 0.63 -0.67 0.04 -1.24 -5.05 135.00 129.92 3hrd s PRO 122 Ca 0.39 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 3hrd s PRO 122 Cb 0.24 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 3hrd s PRO 122 CO -0.09 -0.86 1.03 0.95 0.04 0.00 0.00 177.00 178.07 3hrd s THR 123 N -2.59 4.38 0.26 1.26 -4.23 -1.26 -4.87 115.64 108.59 3hrd s THR 123 Ca 0.62 0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 61.82 3hrd s THR 123 Cb -0.15 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.18 3hrd s THR 123 CO 0.41 -0.98 1.85 0.44 -0.54 0.00 0.00 174.62 175.80 3hrd h ASP 124 N -0.37 0.92 -0.74 3.99 5.19 -1.99 -1.17 116.42 122.24 3hrd h ASP 124 Ca -0.44 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 55.99 3hrd h ASP 124 Cb 1.21 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.52 3hrd h ASP 124 CO 0.62 0.55 0.45 -0.08 -3.12 0.00 0.00 179.24 177.66 3hrd h GLU 125 N 1.03 1.00 -0.22 3.56 4.57 -2.00 -1.73 114.58 120.80 3hrd h GLU 125 Ca 0.43 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.44 3hrd h GLU 125 Cb 0.28 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3hrd h GLU 125 CO -0.21 0.71 -0.21 0.93 -1.18 0.00 0.00 179.01 179.05 3hrd h GLU 126 N 1.01 0.40 -0.40 1.92 5.08 -1.66 -2.06 114.58 118.87 3hrd h GLU 126 Ca 0.27 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3hrd h GLU 126 Cb -0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3hrd h GLU 126 CO -0.05 0.59 -0.01 0.82 -1.00 0.00 0.00 179.01 179.37 3hrd h ILE 127 N 0.36 1.26 0.74 3.13 2.04 -0.62 -1.87 117.51 122.55 3hrd h ILE 127 Ca 0.06 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 3hrd h ILE 127 Cb 0.57 1.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3hrd h ILE 127 CO 0.04 0.35 -0.36 0.74 0.00 0.00 0.00 178.15 178.92 3hrd h THR 128 N 0.54 0.23 -0.94 -0.27 2.02 -1.09 -2.46 112.91 110.94 3hrd h THR 128 Ca 0.11 -0.09 0.12 0.00 0.77 0.00 0.00 66.41 67.32 3hrd h THR 128 Cb 0.49 0.25 -0.08 0.00 -1.74 0.00 0.00 68.15 67.07 3hrd h THR 128 CO 0.02 0.01 0.56 0.58 0.37 0.00 0.00 175.52 177.07 3hrd h VAL 129 N -1.07 0.88 0.00 3.16 2.07 -1.42 -0.66 116.25 119.21 3hrd h VAL 129 Ca -0.10 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3hrd h VAL 129 Cb 0.78 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3hrd h VAL 129 CO 0.17 0.16 -0.08 0.00 0.02 0.00 0.00 177.57 177.84 3hrd h ALA 130 N 1.53 1.84 -0.45 1.67 0.00 -1.17 -2.58 119.26 120.10 3hrd h ALA 130 Ca 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hrd h ALA 130 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hrd h ALA 130 CO -0.28 0.10 0.00 -1.33 0.00 0.00 0.00 179.25 177.74 3hrd n MET 131 N -4.40 2.73 0.00 0.00 2.81 -0.36 -4.58 117.12 113.32 3hrd n MET 131 Ca -0.03 -2.21 0.05 0.00 -1.81 0.00 0.00 57.70 53.70 3hrd n MET 131 Cb 0.16 -1.36 0.26 0.00 -0.71 0.00 0.00 33.22 31.56 3hrd n MET 131 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hrd n SER 132 N 0.89 0.00 -1.07 7.83 3.41 -0.56 -2.00 113.62 122.11 3hrd n SER 132 Ca 0.15 0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.92 3hrd n SER 132 Cb 0.48 -0.22 0.26 0.00 -0.26 0.00 0.00 64.21 64.48 3hrd n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hrd n GLY 133 N -0.44 1.60 3.13 5.00 0.00 -1.26 -4.82 105.19 108.39 3hrd n GLY 133 Ca 0.05 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3hrd n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hrd s ASN 134 N -1.31 3.66 0.03 1.61 0.01 -0.85 -3.28 114.94 114.83 3hrd s ASN 134 Ca 0.39 -0.84 -0.15 0.00 -0.71 0.00 0.00 52.86 51.55 3hrd s ASN 134 Cb 0.22 -1.54 -0.06 0.00 0.41 0.00 0.00 41.25 40.28 3hrd s ASN 134 CO 0.30 -0.06 0.44 -0.76 -1.51 0.00 0.00 177.10 175.51 3hrd s LEU 135 N 1.26 4.46 -0.03 0.60 1.43 -0.61 -5.00 118.68 120.79 3hrd s LEU 135 Ca 0.01 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.13 3hrd s LEU 135 Cb -0.15 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.35 3hrd s LEU 135 CO -0.09 0.28 -0.07 0.00 0.23 0.00 0.00 176.35 176.70 3hrd n ARG 137 N 3.53 1.47 -0.09 0.00 3.00 -1.26 -4.60 116.66 118.71 3hrd n ARG 137 Ca -0.20 -1.38 -0.18 0.00 -0.00 0.00 0.00 57.85 56.09 3hrd n ARG 137 Cb 0.53 -1.32 -0.07 0.00 0.00 0.00 0.00 32.46 31.60 3hrd n ARG 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hrd h THR 139 N -0.53 1.11 -0.08 0.00 1.35 -1.93 -3.48 112.91 109.36 3hrd h THR 139 Ca -0.45 -2.77 -0.03 0.00 -0.55 0.00 0.00 66.41 62.61 3hrd h THR 139 Cb 1.44 2.51 -0.01 0.00 -1.73 0.00 0.00 68.15 70.36 3hrd h THR 139 CO -0.24 0.63 -0.03 0.61 -0.25 0.00 0.00 175.52 176.24 3hrd n GLY 140 N 1.40 0.52 4.89 5.82 0.00 -1.26 -4.00 105.19 112.55 3hrd n GLY 140 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3hrd n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hrd n TYR 141 N -2.93 0.00 -0.21 1.61 4.01 -1.26 -4.81 117.16 113.56 3hrd n TYR 141 Ca -0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 3hrd n TYR 141 Cb 0.06 -0.37 -0.09 0.00 -0.31 0.00 0.00 39.34 38.64 3hrd n TYR 141 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3hrd h ILE 142 N 0.00 0.00 0.00 -0.72 1.08 -2.01 -0.92 117.51 114.94 3hrd h ILE 142 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3hrd h ILE 142 Cb 0.00 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.75 3hrd h ILE 142 CO 0.00 0.00 -0.07 0.11 -0.69 0.00 0.00 178.15 177.50 3hrd h LYS 143 N -0.21 0.00 -0.35 2.37 1.57 -1.87 -2.03 116.57 116.05 3hrd h LYS 143 Ca 0.09 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 3hrd h LYS 143 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3hrd h LYS 143 CO -0.63 0.07 -0.21 0.82 -0.57 0.00 0.00 179.45 178.93 3hrd h ILE 144 N 0.00 1.29 -0.39 1.86 2.04 -1.58 -0.70 117.51 120.03 3hrd h ILE 144 Ca -0.00 -1.35 -0.09 0.00 1.00 0.00 0.00 64.86 64.42 3hrd h ILE 144 Cb 0.73 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3hrd h ILE 144 CO 0.01 0.44 -0.13 -0.74 0.00 0.00 0.00 178.15 177.73 3hrd h HIS 145 N 0.53 0.78 -0.49 1.37 2.76 -0.97 -2.75 115.15 116.38 3hrd h HIS 145 Ca 0.07 -0.14 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 3hrd h HIS 145 Cb 0.77 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 3hrd h HIS 145 CO 0.06 0.80 0.22 0.00 -1.30 0.00 0.00 177.93 177.71 3hrd h ALA 146 N 1.21 0.64 -0.61 5.26 0.00 -1.10 -1.81 119.26 122.86 3hrd h ALA 146 Ca 0.11 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hrd h ALA 146 Cb 0.59 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3hrd h ALA 146 CO 0.04 0.22 0.26 0.00 0.00 0.00 0.00 179.25 179.77 3hrd h ALA 147 N 1.06 0.79 -0.39 0.00 0.00 -0.84 0.24 119.26 120.12 3hrd h ALA 147 Ca 0.17 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3hrd h ALA 147 Cb 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hrd h ALA 147 CO -0.02 -0.14 0.07 0.28 0.00 0.00 0.00 179.25 179.44 3hrd h VAL 148 N 0.46 1.24 -0.95 0.00 2.07 -1.29 -1.10 116.25 116.68 3hrd h VAL 148 Ca 0.30 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3hrd h VAL 148 Cb 0.32 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3hrd h VAL 148 CO -0.27 0.28 0.63 -0.09 0.02 0.00 0.00 177.57 178.15 3hrd h ARG 149 N 0.48 1.25 -0.47 1.57 9.65 -0.47 -0.91 114.38 125.49 3hrd h ARG 149 Ca 0.12 -0.08 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 3hrd h ARG 149 Cb 0.35 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3hrd h ARG 149 CO 0.01 0.83 -0.01 -0.92 2.80 0.00 0.00 179.97 182.67 3hrd h TYR 150 N 1.29 0.83 -0.53 2.20 3.20 -0.30 -1.59 116.97 122.06 3hrd h TYR 150 Ca 0.35 -0.12 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 3hrd h TYR 150 Cb -0.14 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 3hrd h TYR 150 CO -0.00 0.77 -0.13 0.00 -1.64 0.00 0.00 178.16 177.16 3hrd h ALA 151 N 1.26 0.78 -0.69 1.82 0.00 -0.40 -0.72 119.26 121.31 3hrd h ALA 151 Ca 0.14 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3hrd h ALA 151 Cb 0.46 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3hrd h ALA 151 CO 0.02 0.67 0.13 0.28 0.00 0.00 0.00 179.25 180.35 3hrd h VAL 152 N 0.89 1.26 -0.20 0.00 2.07 -0.83 -0.34 116.25 119.10 3hrd h VAL 152 Ca 0.14 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.53 3hrd h VAL 152 Cb 0.69 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3hrd h VAL 152 CO 0.05 0.39 -0.27 -0.33 0.02 0.00 0.00 177.57 177.43 3hrd h GLU 153 N 1.05 0.53 -0.11 1.57 4.39 -1.10 -2.34 114.58 118.57 3hrd h GLU 153 Ca 0.21 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 3hrd h GLU 153 Cb 0.42 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3hrd h GLU 153 CO 0.01 0.91 -0.26 0.00 -1.16 0.00 0.00 179.01 178.51 3hrd h ARG 154 N 0.20 0.20 -0.19 2.33 3.08 -1.05 0.23 114.38 119.18 3hrd h ARG 154 Ca 0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hrd h ARG 154 Cb 0.84 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3hrd h ARG 154 CO 0.06 0.45 0.04 0.00 -1.07 0.00 0.00 179.97 179.46 3hrd h ALA 156 N 0.85 1.03 -0.89 0.00 0.00 -1.04 -2.13 119.26 117.08 3hrd h ALA 156 Ca 0.06 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.93 3hrd h ALA 156 Cb 0.27 -0.29 -0.11 0.00 0.00 0.00 0.00 17.79 17.67 3hrd h ALA 156 CO 0.00 0.66 0.46 -0.97 0.00 0.00 0.00 179.25 179.40 3hrd h ASN 157 N 1.10 0.52 0.00 0.00 -1.24 -0.06 -2.12 115.58 113.78 3hrd h ASN 157 Ca 0.24 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.35 3hrd h ASN 157 Cb 0.28 0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 3hrd h ASN 157 CO -0.01 0.17 0.02 0.00 -1.29 0.00 0.00 177.43 176.32 3hrd n ALA 158 N -2.42 2.41 -1.90 1.57 0.00 -0.53 -4.21 120.51 115.42 3hrd n ALA 158 Ca 0.20 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 3hrd n ALA 158 Cb 0.53 -1.74 0.04 0.00 0.00 0.00 0.00 19.45 18.28 3hrd n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hrd n ALA 159 N 1.96 6.50 0.71 0.00 0.00 -0.80 -5.07 120.51 123.81 3hrd n ALA 159 Ca 0.02 -4.09 0.09 0.00 0.00 0.00 0.00 53.44 49.45 3hrd n ALA 159 Cb 0.19 -1.96 0.07 0.00 0.00 0.00 0.00 19.45 17.74 3hrd n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50