#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s THR 2 N 0.00 0.29 0.02 12.58 2.01 -1.26 -0.37 115.64 128.91 3bdm s THR 2 Ca 0.00 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.12 3bdm s THR 2 Cb 0.00 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 3bdm s THR 2 CO 0.00 0.17 -0.11 0.27 -0.69 0.00 0.00 174.62 174.27 3bdm s ILE 3 N 2.00 0.82 0.08 1.82 -4.36 -0.85 -1.97 121.20 118.73 3bdm s ILE 3 Ca 0.04 -0.70 -0.01 0.00 -0.26 0.00 0.00 60.65 59.72 3bdm s ILE 3 Cb -0.13 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.80 3bdm s ILE 3 CO -0.05 0.04 -0.01 0.68 0.24 0.00 0.00 174.94 175.84 3bdm s VAL 4 N -0.61 0.23 -0.03 8.37 -7.23 -0.53 -1.81 120.40 118.79 3bdm s VAL 4 Ca 0.01 -1.85 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3bdm s VAL 4 Cb -0.06 -1.69 0.02 0.00 0.56 0.00 0.00 36.38 35.21 3bdm s VAL 4 CO 0.00 -0.83 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.11 3bdm s GLY 5 N -2.97 0.30 -0.05 2.32 0.00 0.53 -2.05 107.32 105.40 3bdm s GLY 5 Ca 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.88 3bdm s GLY 5 CO -0.06 0.43 0.04 0.14 0.00 0.00 0.00 173.10 173.65 3bdm s VAL 6 N 0.81 0.02 0.11 1.40 1.01 -0.01 -1.13 120.40 122.62 3bdm s VAL 6 Ca -0.09 0.33 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 3bdm s VAL 6 Cb -0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 35.94 3bdm s VAL 6 CO -0.01 0.19 0.58 -0.54 0.00 0.00 0.00 175.10 175.32 3bdm s LYS 7 N 2.02 4.14 0.38 2.72 1.02 0.56 -1.00 119.74 129.57 3bdm s LYS 7 Ca 0.04 0.67 0.04 0.00 0.02 0.00 0.00 55.97 56.74 3bdm s LYS 7 Cb -0.12 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 3bdm s LYS 7 CO -0.03 0.57 0.08 -0.59 -0.92 0.00 0.00 175.35 174.45 3bdm s PHE 8 N -1.25 1.91 0.50 3.18 -0.12 -0.41 -4.66 117.98 117.13 3bdm s PHE 8 Ca 0.33 -1.07 0.42 0.00 -0.05 0.00 0.00 56.93 56.56 3bdm s PHE 8 Cb -0.18 -1.29 1.61 0.00 -0.63 0.00 0.00 43.02 42.53 3bdm s PHE 8 CO 0.19 -0.06 1.55 0.27 -0.05 0.00 0.00 175.22 177.11 3bdm n ASN 9 N -0.98 0.10 -1.55 1.98 0.23 0.60 -2.37 115.26 113.26 3bdm n ASN 9 Ca -0.05 1.16 0.03 0.00 -0.53 0.00 0.00 54.58 55.19 3bdm n ASN 9 Cb 0.66 -0.58 0.05 0.00 -2.08 0.00 0.00 39.78 37.84 3bdm n ASN 9 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3bdm n ASN 10 N -4.26 1.32 0.00 0.53 5.15 -1.26 -5.06 115.26 111.67 3bdm n ASN 10 Ca 0.42 -2.37 0.00 0.00 -0.60 0.00 0.00 54.58 52.04 3bdm n ASN 10 Cb 1.80 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 40.69 3bdm n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bdm n GLY 11 N 0.05 -0.51 3.10 8.20 0.00 -1.00 -0.42 105.19 114.61 3bdm n GLY 11 Ca 0.09 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 3bdm n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdm s VAL 12 N -3.23 0.12 -0.01 1.61 0.11 -0.34 -1.29 120.40 117.38 3bdm s VAL 12 Ca 0.00 -1.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.06 3bdm s VAL 12 Cb 0.00 -0.74 -0.00 0.00 -1.53 0.00 0.00 36.38 34.11 3bdm s VAL 12 CO 0.00 -0.56 -0.05 0.54 -3.33 0.00 0.00 175.10 171.71 3bdm s VAL 13 N -2.25 0.37 0.06 2.04 0.11 -0.17 -1.46 120.40 119.09 3bdm s VAL 13 Ca -0.08 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 58.85 3bdm s VAL 13 Cb -0.03 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 3bdm s VAL 13 CO -0.03 0.11 -0.21 0.27 -3.33 0.00 0.00 175.10 171.91 3bdm s ILE 14 N -0.05 1.66 0.13 7.04 -4.36 -0.92 -0.83 121.20 123.88 3bdm s ILE 14 Ca 0.01 -1.27 -0.00 0.00 -0.26 0.00 0.00 60.65 59.13 3bdm s ILE 14 Cb -0.03 -1.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.18 3bdm s ILE 14 CO -0.00 0.15 0.03 0.00 0.24 0.00 0.00 174.94 175.35 3bdm s ALA 15 N -0.88 0.97 0.19 2.27 0.00 -0.87 -1.24 121.76 122.20 3bdm s ALA 15 Ca 0.07 -1.48 -0.23 0.00 0.00 0.00 0.00 51.96 50.33 3bdm s ALA 15 Cb -0.09 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.78 3bdm s ALA 15 CO 0.02 -0.42 0.68 0.00 0.00 0.00 0.00 175.76 176.04 3bdm s ALA 16 N -3.92 -1.48 0.81 0.00 0.00 -0.32 -1.45 121.76 115.40 3bdm s ALA 16 Ca 0.22 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.35 3bdm s ALA 16 Cb 0.07 0.84 0.17 0.00 0.00 0.00 0.00 23.12 24.20 3bdm s ALA 16 CO 0.01 -0.88 1.10 -0.40 0.00 0.00 0.00 175.76 175.60 3bdm n ASP 17 N -0.41 1.03 -0.18 0.00 5.75 -0.83 -0.62 116.55 121.29 3bdm n ASP 17 Ca -0.11 -1.98 0.08 0.00 -0.01 0.00 0.00 54.79 52.77 3bdm n ASP 17 Cb 0.62 -0.76 0.12 0.00 -1.03 0.00 0.00 41.12 40.08 3bdm n ASP 17 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3bdm n THR 18 N -3.14 1.57 -3.70 2.12 -2.24 -1.08 -4.53 114.28 103.29 3bdm n THR 18 Ca 0.17 -1.93 -0.36 0.00 -2.27 0.00 0.00 64.05 59.66 3bdm n THR 18 Cb 0.59 -0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 3bdm n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3bdm s ARG 19 N -2.39 4.10 0.05 -0.78 3.52 -1.21 -0.51 118.95 121.73 3bdm s ARG 19 Ca 0.27 -0.13 0.08 0.00 -0.13 0.00 0.00 55.73 55.83 3bdm s ARG 19 Cb 0.24 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 3bdm s ARG 19 CO 0.02 0.36 -0.22 0.45 -0.81 0.00 0.00 175.30 175.10 3bdm s SER 20 N 0.16 3.50 0.15 -2.12 0.15 -0.70 -4.61 113.70 110.24 3bdm s SER 20 Ca 0.11 -0.51 -0.06 0.00 0.70 0.00 0.00 55.95 56.19 3bdm s SER 20 Cb -0.12 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.72 3bdm s SER 20 CO 0.00 0.26 0.19 0.42 1.20 0.00 0.00 173.24 175.31 3bdm s THR 21 N -0.87 0.08 -0.23 6.45 -4.23 -1.26 0.07 115.64 115.64 3bdm s THR 21 Ca 0.13 -1.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 3bdm s THR 21 Cb -0.10 -1.90 0.08 0.00 1.34 0.00 0.00 72.50 71.92 3bdm s THR 21 CO 0.04 -0.38 0.09 -1.10 -0.54 0.00 0.00 174.62 172.73 3bdm s GLN 22 N -3.99 0.34 6.99 3.99 -0.21 -0.46 -4.80 119.66 121.53 3bdm s GLN 22 Ca 0.19 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.12 3bdm s GLN 22 Cb 0.05 -1.71 0.00 0.00 1.00 0.00 0.00 33.01 32.35 3bdm s GLN 22 CO 0.00 -0.82 0.00 0.41 -2.12 0.00 0.00 175.29 172.76 3bdm n GLY 23 N 5.15 2.08 1.19 3.09 0.00 -1.26 -2.24 105.19 113.20 3bdm n GLY 23 Ca -0.06 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.68 3bdm n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bdm n PRO 24 N 13.09 2.61 -3.49 1.61 -0.04 -1.26 -4.92 135.00 142.59 3bdm n PRO 24 Ca 0.00 -2.43 -0.37 0.00 -0.04 0.00 0.00 63.50 60.66 3bdm n PRO 24 Cb 0.00 -1.51 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 3bdm n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3bdm s ILE 25 N -1.19 5.24 -0.28 0.52 -1.09 -0.95 -5.04 121.20 118.41 3bdm s ILE 25 Ca 0.42 0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 59.24 3bdm s ILE 25 Cb 0.23 -3.68 -0.00 0.00 -1.58 0.00 0.00 42.46 37.42 3bdm s ILE 25 CO 0.31 0.41 1.33 -0.69 -1.23 0.00 0.00 174.94 175.07 3bdm s VAL 26 N 0.19 4.11 -0.12 2.92 1.01 -1.26 -1.35 120.40 125.89 3bdm s VAL 26 Ca 0.20 1.26 -0.27 0.00 0.00 0.00 0.00 61.98 63.17 3bdm s VAL 26 Cb -0.14 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 3bdm s VAL 26 CO 0.07 -0.42 0.83 0.00 0.00 0.00 0.00 175.10 175.58 3bdm h ALA 27 N 9.34 -0.01 -3.20 5.51 0.00 -0.68 -3.45 119.26 126.77 3bdm h ALA 27 Ca -0.27 -0.44 -0.51 0.00 0.00 0.00 0.00 54.91 53.70 3bdm h ALA 27 Cb 1.10 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.53 3bdm h ALA 27 CO 1.02 -0.05 -0.80 0.34 0.00 0.00 0.00 179.25 179.77 3bdm s ASP 28 N -6.09 2.04 0.27 0.00 3.68 -1.13 -4.99 116.67 110.44 3bdm s ASP 28 Ca -0.18 -0.26 0.25 0.00 2.13 0.00 0.00 52.55 54.50 3bdm s ASP 28 Cb -0.02 -0.75 0.95 0.00 -1.45 0.00 0.00 42.92 41.65 3bdm s ASP 28 CO 0.66 -0.13 1.75 0.11 0.13 0.00 0.00 175.17 177.69 3bdm h LYS 29 N 8.17 0.00 -0.79 4.34 1.57 -1.86 -1.86 116.57 126.14 3bdm h LYS 29 Ca -0.28 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.15 3bdm h LYS 29 Cb 1.13 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.20 3bdm h LYS 29 CO 0.38 0.00 -0.74 -1.71 -0.57 0.00 0.00 179.45 176.81 3bdm n ASN 30 N -2.32 -1.51 -4.95 0.86 4.05 -1.04 -4.46 115.26 105.89 3bdm n ASN 30 Ca 0.03 -3.18 -0.23 0.00 0.45 0.00 0.00 54.58 51.65 3bdm n ASN 30 Cb 0.29 0.88 -0.00 0.00 1.23 0.00 0.00 39.78 42.19 3bdm n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3bdm s ALA 32 N -2.43 3.52 -2.59 0.00 0.00 -1.26 -4.46 121.76 114.54 3bdm s ALA 32 Ca 0.44 -1.24 0.24 0.00 0.00 0.00 0.00 51.96 51.39 3bdm s ALA 32 Cb -0.10 -2.61 0.39 0.00 0.00 0.00 0.00 23.12 20.80 3bdm s ALA 32 CO 0.37 -0.81 1.38 1.63 0.00 0.00 0.00 175.76 178.34 3bdm n LYS 33 N 5.11 2.49 -3.50 0.00 5.02 -1.26 -4.85 118.16 121.17 3bdm n LYS 33 Ca -0.13 -2.23 -0.39 0.00 -2.02 0.00 0.00 58.31 53.54 3bdm n LYS 33 Cb 0.51 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 3bdm n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bdm s LEU 34 N -1.59 4.27 -0.06 -0.35 1.02 -1.26 -1.61 118.68 119.10 3bdm s LEU 34 Ca 0.37 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.40 3bdm s LEU 34 Cb 0.22 -2.22 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 3bdm s LEU 34 CO 0.32 -0.19 -0.12 -1.00 0.02 0.00 0.00 176.35 175.38 3bdm s HIS 35 N 1.86 2.80 -0.33 0.29 3.76 0.13 -4.96 115.29 118.83 3bdm s HIS 35 Ca 0.09 -0.14 -0.16 0.00 -0.15 0.00 0.00 55.06 54.70 3bdm s HIS 35 Cb -0.16 -1.68 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 3bdm s HIS 35 CO 0.11 0.20 0.42 0.50 -0.85 0.00 0.00 174.74 175.11 3bdm s ARG 36 N -0.64 3.68 -0.06 1.40 3.52 -1.26 0.79 118.95 126.38 3bdm s ARG 36 Ca 0.09 -0.22 -0.09 0.00 -0.13 0.00 0.00 55.73 55.38 3bdm s ARG 36 Cb -0.11 -3.77 -0.29 0.00 -1.56 0.00 0.00 34.95 29.21 3bdm s ARG 36 CO 0.01 -0.51 0.60 0.82 -0.81 0.00 0.00 175.30 175.41 3bdm h ILE 37 N 5.53 0.87 -3.56 4.11 2.04 -1.36 -3.48 117.51 121.66 3bdm h ILE 37 Ca -0.29 -2.49 -0.05 0.00 1.00 0.00 0.00 64.86 63.03 3bdm h ILE 37 Cb 1.14 2.70 -0.10 0.00 -0.74 0.00 0.00 36.82 39.81 3bdm h ILE 37 CO 0.71 0.86 -0.11 -0.94 0.00 0.00 0.00 178.15 178.68 3bdm s SER 38 N -7.20 -0.12 0.42 1.72 1.04 -1.02 -4.51 113.70 104.01 3bdm s SER 38 Ca -0.17 -0.73 0.27 0.00 0.48 0.00 0.00 55.95 55.80 3bdm s SER 38 Cb 0.06 0.55 1.35 0.00 0.10 0.00 0.00 66.02 68.08 3bdm s SER 38 CO 0.83 -1.05 1.64 -0.65 0.98 0.00 0.00 173.24 175.00 3bdm h PRO 39 N 2.30 0.14 0.00 4.02 0.11 -2.01 -2.19 132.00 134.37 3bdm h PRO 39 Ca -0.28 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 3bdm h PRO 39 Cb 1.25 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 3bdm h PRO 39 CO 0.39 0.09 -0.59 1.63 -0.21 0.00 0.00 178.00 179.31 3bdm n LYS 40 N -4.74 1.11 -3.58 1.05 5.02 -1.26 -4.52 118.16 111.24 3bdm n LYS 40 Ca 0.35 -2.85 -0.29 0.00 -2.02 0.00 0.00 58.31 53.50 3bdm n LYS 40 Cb 1.31 -1.17 -0.14 0.00 -0.02 0.00 0.00 35.03 35.01 3bdm n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bdm s ILE 41 N -2.29 0.28 0.04 -0.18 1.01 -0.82 -1.79 121.20 117.44 3bdm s ILE 41 Ca 0.35 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3bdm s ILE 41 Cb 0.36 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 3bdm s ILE 41 CO -0.08 -0.78 0.08 0.26 0.00 0.00 0.00 174.94 174.41 3bdm s TRP 42 N 1.68 3.22 -0.09 3.97 0.52 -0.45 -0.94 118.94 126.84 3bdm s TRP 42 Ca 0.12 0.12 0.03 0.00 0.02 0.00 0.00 56.10 56.39 3bdm s TRP 42 Cb -0.18 -1.67 0.01 0.00 -1.15 0.00 0.00 33.47 30.48 3bdm s TRP 42 CO -0.24 0.53 -0.18 0.00 0.02 0.00 0.00 176.95 177.08 3bdm s ALA 44 N 0.61 3.71 -0.03 0.00 0.00 0.17 0.18 121.76 126.39 3bdm s ALA 44 Ca -0.14 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.35 3bdm s ALA 44 Cb -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3bdm s ALA 44 CO 0.04 0.34 -0.10 0.20 0.00 0.00 0.00 175.76 176.24 3bdm s GLY 45 N -0.30 0.59 0.45 0.00 0.00 -0.63 -0.67 107.32 106.76 3bdm s GLY 45 Ca 0.16 -0.36 0.05 0.00 0.00 0.00 0.00 44.72 44.57 3bdm s GLY 45 CO 0.05 -0.06 0.07 0.00 0.00 0.00 0.00 173.10 173.16 3bdm s ALA 46 N 0.27 3.65 0.00 3.20 0.00 0.20 -4.90 121.76 124.19 3bdm s ALA 46 Ca -0.05 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.34 3bdm s ALA 46 Cb -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3bdm s ALA 46 CO 0.01 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.06 3bdm n GLY 47 N -1.18 0.90 3.48 0.00 0.00 -1.26 -1.49 105.19 105.65 3bdm n GLY 47 Ca -0.09 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 3bdm n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 48 N 0.00 4.48 0.23 2.61 2.01 0.36 -4.95 115.64 120.38 3bdm s THR 48 Ca 0.00 -0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.75 3bdm s THR 48 Cb 0.00 -4.53 0.27 0.00 0.01 0.00 0.00 72.50 68.25 3bdm s THR 48 CO 0.00 -1.15 1.50 0.00 -0.69 0.00 0.00 174.62 174.28 3bdm n ALA 49 N 7.24 -0.06 0.18 7.40 0.00 -1.26 0.39 120.51 134.39 3bdm n ALA 49 Ca -0.02 0.98 0.14 0.00 0.00 0.00 0.00 53.44 54.54 3bdm n ALA 49 Cb 0.46 -0.46 0.71 0.00 0.00 0.00 0.00 19.45 20.16 3bdm n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bdm h ALA 50 N 1.43 2.07 0.08 0.00 0.00 -1.96 -1.60 119.26 119.28 3bdm h ALA 50 Ca 0.36 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 3bdm h ALA 50 Cb 0.60 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.42 3bdm h ALA 50 CO -0.96 -0.25 -0.76 -0.44 0.00 0.00 0.00 179.25 176.84 3bdm h ASP 51 N 0.00 0.54 -0.75 0.00 3.45 -0.38 -2.09 116.42 117.19 3bdm h ASP 51 Ca 0.09 -0.85 -0.05 0.00 0.43 0.00 0.00 57.03 56.65 3bdm h ASP 51 Cb 0.39 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.96 3bdm h ASP 51 CO -0.00 1.34 0.27 0.71 -1.57 0.00 0.00 179.24 179.98 3bdm h THR 52 N -0.19 1.26 0.24 0.35 1.35 -1.01 0.23 112.91 115.15 3bdm h THR 52 Ca -0.12 -0.86 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 3bdm h THR 52 Cb 1.52 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3bdm h THR 52 CO 0.15 0.34 -0.12 -0.08 -0.25 0.00 0.00 175.52 175.56 3bdm h GLU 53 N 1.11 -0.32 0.39 4.72 4.57 -1.37 -0.90 114.58 122.79 3bdm h GLU 53 Ca 0.25 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 3bdm h GLU 53 Cb 0.26 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3bdm h GLU 53 CO -0.01 -0.11 -0.19 0.00 -1.18 0.00 0.00 179.01 177.51 3bdm h ALA 54 N 0.26 -0.52 -0.30 2.92 0.00 -1.21 -1.51 119.26 118.90 3bdm h ALA 54 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3bdm h ALA 54 Cb 0.35 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3bdm h ALA 54 CO 0.05 -0.77 0.16 -0.24 0.00 0.00 0.00 179.25 178.46 3bdm h VAL 55 N -0.57 1.10 -0.41 0.00 3.04 -1.01 -1.20 116.25 117.19 3bdm h VAL 55 Ca -0.05 -0.25 -0.05 0.00 -1.01 0.00 0.00 66.70 65.34 3bdm h VAL 55 Cb 0.43 0.69 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 3bdm h VAL 55 CO 0.09 0.11 0.05 0.74 -1.01 0.00 0.00 177.57 177.54 3bdm h THR 56 N 0.41 1.25 -0.01 3.17 2.02 -0.88 -2.72 112.91 116.15 3bdm h THR 56 Ca 0.11 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 3bdm h THR 56 Cb 0.01 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3bdm h THR 56 CO -0.02 0.32 -0.00 1.56 0.37 0.00 0.00 175.52 177.74 3bdm h GLN 57 N 0.55 0.01 -0.24 6.66 4.20 -0.60 -0.69 115.11 124.99 3bdm h GLN 57 Ca 0.12 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.88 3bdm h GLN 57 Cb 0.40 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.11 3bdm h GLN 57 CO 0.01 0.39 -0.44 1.25 -0.67 0.00 0.00 178.83 179.37 3bdm h LEU 58 N -0.37 -1.42 -1.02 1.46 5.85 -1.26 0.64 115.31 119.19 3bdm h LEU 58 Ca 0.00 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3bdm h LEU 58 Cb 0.39 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3bdm h LEU 58 CO 0.00 -0.41 0.20 0.40 -0.34 0.00 0.00 178.44 178.29 3bdm h ILE 59 N -0.44 1.23 -0.62 4.05 5.03 -1.54 -1.72 117.51 123.51 3bdm h ILE 59 Ca 0.09 -0.76 0.02 0.00 -0.12 0.00 0.00 64.86 64.09 3bdm h ILE 59 Cb 0.62 0.55 -0.04 0.00 -3.03 0.00 0.00 36.82 34.92 3bdm h ILE 59 CO -0.48 0.30 0.39 1.23 -0.68 0.00 0.00 178.15 178.91 3bdm h GLY 60 N 1.00 0.88 0.97 5.37 0.00 0.55 0.89 103.07 112.74 3bdm h GLY 60 Ca 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3bdm h GLY 60 CO -0.01 0.26 0.14 0.23 0.00 0.00 0.00 176.54 177.16 3bdm h SER 61 N 0.77 0.27 0.14 0.19 0.87 0.66 -1.89 113.55 114.58 3bdm h SER 61 Ca 0.24 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 3bdm h SER 61 Cb -0.02 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3bdm h SER 61 CO -0.09 0.24 -0.35 0.78 -0.53 0.00 0.00 176.83 176.89 3bdm h ASN 62 N 0.28 0.31 0.25 6.23 2.35 -0.91 -1.97 115.58 122.13 3bdm h ASN 62 Ca 0.08 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 3bdm h ASN 62 Cb 0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3bdm h ASN 62 CO -0.02 0.64 -0.48 0.40 -1.65 0.00 0.00 177.43 176.33 3bdm h ILE 63 N 0.26 1.34 0.12 2.81 2.04 -0.64 0.29 117.51 123.73 3bdm h ILE 63 Ca 0.03 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 3bdm h ILE 63 Cb 0.74 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3bdm h ILE 63 CO 0.06 0.50 -0.06 -0.08 0.00 0.00 0.00 178.15 178.57 3bdm h GLU 64 N 0.21 -0.15 -0.89 2.37 4.81 -1.03 0.32 114.58 120.23 3bdm h GLU 64 Ca 0.01 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3bdm h GLU 64 Cb 0.93 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 3bdm h GLU 64 CO 0.08 0.16 0.58 -0.07 -0.73 0.00 0.00 179.01 179.03 3bdm h LEU 65 N -0.48 0.90 -0.25 1.64 3.38 -1.26 -0.47 115.31 118.77 3bdm h LEU 65 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3bdm h LEU 65 Cb 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3bdm h LEU 65 CO 0.03 0.59 -0.02 -0.74 0.09 0.00 0.00 178.44 178.39 3bdm h HIS 66 N 1.03 0.51 -0.36 1.13 2.76 -0.74 -1.35 115.15 118.12 3bdm h HIS 66 Ca 0.37 -0.10 0.06 0.00 -2.20 0.00 0.00 60.37 58.50 3bdm h HIS 66 Cb 0.15 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 3bdm h HIS 66 CO -0.00 0.64 0.06 1.03 -1.30 0.00 0.00 177.93 178.36 3bdm h SER 67 N 0.22 -0.01 -0.73 3.26 0.87 0.33 -0.57 113.55 116.93 3bdm h SER 67 Ca 0.07 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3bdm h SER 67 Cb 0.45 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3bdm h SER 67 CO 0.02 0.03 0.39 -0.07 -0.53 0.00 0.00 176.83 176.67 3bdm h LEU 68 N 0.18 0.92 -0.34 2.23 4.07 -0.99 0.19 115.31 121.57 3bdm h LEU 68 Ca 0.17 -0.11 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 3bdm h LEU 68 Cb 0.20 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3bdm h LEU 68 CO -0.23 0.77 0.08 0.22 -1.08 0.00 0.00 178.44 178.20 3bdm h TYR 69 N 1.01 0.57 0.00 1.13 5.03 -0.61 -3.14 116.97 120.96 3bdm h TYR 69 Ca 0.26 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.50 3bdm h TYR 69 Cb 0.06 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.18 3bdm h TYR 69 CO 0.00 0.58 -0.38 0.25 -1.32 0.00 0.00 178.16 177.29 3bdm n THR 70 N -4.62 0.12 -3.13 1.81 -2.24 -0.28 -4.95 114.28 101.00 3bdm n THR 70 Ca -0.01 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.46 3bdm n THR 70 Cb 0.19 -0.07 0.04 0.00 -2.10 0.00 0.00 70.33 68.40 3bdm n THR 70 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3bdm n SER 71 N -1.70 -6.10 -4.13 3.42 7.64 0.66 -5.00 113.62 108.40 3bdm n SER 71 Ca 0.05 -0.33 -0.17 0.00 1.01 0.00 0.00 58.87 59.42 3bdm n SER 71 Cb 0.37 -4.87 -0.12 0.00 -1.01 0.00 0.00 64.21 58.57 3bdm n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3bdm s ARG 72 N -5.81 0.77 0.59 1.43 0.52 -1.14 -5.06 118.95 110.25 3bdm s ARG 72 Ca 0.36 -0.84 -0.20 0.00 -0.52 0.00 0.00 55.73 54.53 3bdm s ARG 72 Cb -0.16 -0.72 -0.03 0.00 0.52 0.00 0.00 34.95 34.56 3bdm s ARG 72 CO 0.44 0.16 1.32 -1.21 0.02 0.00 0.00 175.30 176.04 3bdm s GLU 73 N -1.51 2.87 0.53 3.54 0.41 -1.26 -4.61 118.70 118.67 3bdm s GLU 73 Ca -0.03 2.14 -0.20 0.00 -0.41 0.00 0.00 54.97 56.48 3bdm s GLU 73 Cb -0.09 -2.06 -0.06 0.00 -1.78 0.00 0.00 34.13 30.14 3bdm s GLU 73 CO 0.02 -1.37 1.12 -2.14 -0.49 0.00 0.00 175.26 172.39 3bdm s PRO 74 N -3.14 3.42 0.05 0.39 0.02 -1.26 -4.88 135.00 129.60 3bdm s PRO 74 Ca 0.77 1.58 0.03 0.00 0.02 0.00 0.00 61.00 63.40 3bdm s PRO 74 Cb -0.39 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 3bdm s PRO 74 CO 0.43 -0.79 0.04 1.03 -0.33 0.00 0.00 177.00 177.39 3bdm s ARG 75 N -3.27 2.80 0.31 5.54 0.52 -1.26 -4.71 118.95 118.88 3bdm s ARG 75 Ca 0.72 -0.68 0.10 0.00 -0.52 0.00 0.00 55.73 55.34 3bdm s ARG 75 Cb -0.23 -2.69 0.49 0.00 0.52 0.00 0.00 34.95 33.04 3bdm s ARG 75 CO 0.26 0.58 1.70 0.28 0.02 0.00 0.00 175.30 178.14 3bdm h VAL 76 N 2.93 1.35 0.00 3.52 2.07 -1.90 -1.96 116.25 122.25 3bdm h VAL 76 Ca -0.48 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 3bdm h VAL 76 Cb 1.17 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3bdm h VAL 76 CO 0.62 0.49 -0.03 -0.37 0.02 0.00 0.00 177.57 178.30 3bdm h VAL 77 N 0.06 0.09 -0.10 2.57 -1.51 -1.98 -0.72 116.25 114.66 3bdm h VAL 77 Ca 0.00 -0.47 -0.22 0.00 -1.23 0.00 0.00 66.70 64.78 3bdm h VAL 77 Cb 0.89 1.43 0.01 0.00 -2.13 0.00 0.00 31.29 31.49 3bdm h VAL 77 CO 0.07 0.03 -0.80 0.28 -1.23 0.00 0.00 177.57 175.92 3bdm h SER 78 N 0.00 0.87 -0.38 4.19 0.02 -1.77 -1.49 113.55 114.99 3bdm h SER 78 Ca -0.00 -0.67 -0.14 0.00 -0.84 0.00 0.00 61.79 60.14 3bdm h SER 78 Cb 0.43 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3bdm h SER 78 CO 0.00 1.40 -0.30 0.00 -1.14 0.00 0.00 176.83 176.80 3bdm h ALA 79 N 0.48 0.68 -0.45 3.77 0.00 -1.31 -2.52 119.26 119.91 3bdm h ALA 79 Ca -0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3bdm h ALA 79 Cb 1.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3bdm h ALA 79 CO 0.16 0.67 0.05 1.25 0.00 0.00 0.00 179.25 181.38 3bdm h LEU 80 N 0.77 0.66 0.15 0.00 5.85 -1.06 -0.23 115.31 121.45 3bdm h LEU 80 Ca 0.08 -0.13 -0.29 0.00 0.84 0.00 0.00 57.88 58.38 3bdm h LEU 80 Cb 0.87 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 41.74 3bdm h LEU 80 CO 0.08 0.70 -1.32 -0.61 -0.34 0.00 0.00 178.44 176.94 3bdm h GLN 81 N 0.67 0.33 -0.27 1.25 5.75 -1.21 -2.38 115.11 119.26 3bdm h GLN 81 Ca 0.14 -0.56 -0.18 0.00 -0.15 0.00 0.00 58.65 57.90 3bdm h GLN 81 Cb 0.34 0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.10 3bdm h GLN 81 CO 0.01 1.26 -0.56 0.52 -2.65 0.00 0.00 178.83 177.40 3bdm h MET 82 N 0.09 0.82 0.65 1.69 2.86 -1.39 -2.04 114.93 117.62 3bdm h MET 82 Ca -0.17 -0.53 -0.03 0.00 -2.06 0.00 0.00 59.70 56.91 3bdm h MET 82 Cb 2.02 0.07 0.01 0.00 0.06 0.00 0.00 31.60 33.75 3bdm h MET 82 CO 0.22 1.16 -0.31 -0.07 1.06 0.00 0.00 176.91 178.97 3bdm h LEU 83 N 0.63 -0.74 -0.93 1.22 3.38 -1.11 -2.67 115.31 115.09 3bdm h LEU 83 Ca 0.01 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3bdm h LEU 83 Cb 1.16 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 42.03 3bdm h LEU 83 CO 0.12 -0.43 0.57 0.07 0.09 0.00 0.00 178.44 178.86 3bdm h LYS 84 N -1.06 0.94 0.00 1.13 2.10 -1.51 -0.55 116.57 117.62 3bdm h LYS 84 Ca -0.09 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 58.46 3bdm h LYS 84 Cb 0.67 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 3bdm h LYS 84 CO 0.15 0.62 -0.23 1.96 -2.00 0.00 0.00 179.45 179.95 3bdm h GLN 85 N 0.97 0.00 -0.01 0.07 4.20 -1.42 0.20 115.11 119.12 3bdm h GLN 85 Ca 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.13 3bdm h GLN 85 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3bdm h GLN 85 CO -0.23 0.23 -0.06 1.25 -0.67 0.00 0.00 178.83 179.36 3bdm h HIS 86 N 0.00 0.08 -0.71 2.96 2.76 -0.78 -2.41 115.15 117.04 3bdm h HIS 86 Ca -0.00 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3bdm h HIS 86 Cb 0.49 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 3bdm h HIS 86 CO 0.00 0.75 0.45 -0.07 -1.30 0.00 0.00 177.93 177.77 3bdm h LEU 87 N -0.62 0.83 -0.99 0.26 3.38 -0.99 -2.24 115.31 114.94 3bdm h LEU 87 Ca -0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3bdm h LEU 87 Cb 0.76 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3bdm h LEU 87 CO 0.01 0.62 0.29 0.15 0.09 0.00 0.00 178.44 179.60 3bdm h PHE 88 N 0.96 1.02 -0.48 1.13 3.57 -1.02 -1.65 116.94 120.47 3bdm h PHE 88 Ca 0.26 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3bdm h PHE 88 Cb -0.08 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.32 3bdm h PHE 88 CO -0.02 0.77 0.32 -0.22 -2.23 0.00 0.00 178.31 176.93 3bdm h LYS 89 N 0.99 0.48 -0.86 1.11 3.64 -0.88 -2.17 116.57 118.89 3bdm h LYS 89 Ca 0.23 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 3bdm h LYS 89 Cb 0.17 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.79 3bdm h LYS 89 CO -0.02 0.32 0.20 0.66 -2.27 0.00 0.00 179.45 178.34 3bdm n TYR 90 N -4.48 1.65 -1.82 1.91 4.01 -0.63 -4.92 117.16 112.89 3bdm n TYR 90 Ca 0.06 -0.89 -0.02 0.00 -0.16 0.00 0.00 57.90 56.88 3bdm n TYR 90 Cb 0.18 -0.53 -0.00 0.00 -0.31 0.00 0.00 39.34 38.68 3bdm n TYR 90 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3bdm n GLN 91 N -0.05 -2.02 -0.43 -0.72 1.13 -0.82 0.29 117.38 114.76 3bdm n GLN 91 Ca 0.28 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.44 3bdm n GLN 91 Cb 1.05 -4.39 0.00 0.00 0.11 0.00 0.00 30.24 27.01 3bdm n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3bdm n GLY 93 N -0.31 1.05 0.30 1.08 0.00 -1.22 -4.91 105.19 101.17 3bdm n GLY 93 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.19 3bdm n GLY 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3bdm h HIS 94 N 0.00 0.00 -2.94 1.61 3.86 -0.45 -3.37 115.15 113.87 3bdm h HIS 94 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 3bdm h HIS 94 Cb 0.00 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.29 3bdm h HIS 94 CO 0.00 0.01 0.23 0.42 0.86 0.00 0.00 177.93 179.45 3bdm s ILE 95 N -3.83 4.68 -0.69 2.45 1.01 -1.26 -4.94 121.20 118.62 3bdm s ILE 95 Ca -0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.76 3bdm s ILE 95 Cb 0.10 -4.50 -0.19 0.00 0.01 0.00 0.00 42.46 37.88 3bdm s ILE 95 CO 0.51 -1.14 1.87 0.61 0.00 0.00 0.00 174.94 176.79 3bdm n GLY 96 N 5.26 1.90 3.25 6.18 0.00 -1.26 -4.73 105.19 115.79 3bdm n GLY 96 Ca -0.07 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 3bdm n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ALA 97 N 6.51 2.26 -0.18 4.61 0.00 -1.26 -0.49 121.76 133.21 3bdm s ALA 97 Ca 0.62 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3bdm s ALA 97 Cb 0.12 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.40 3bdm s ALA 97 CO 0.17 0.29 -0.08 0.71 0.00 0.00 0.00 175.76 176.85 3bdm s TYR 98 N 0.31 2.11 0.06 0.00 2.02 -0.55 -1.07 117.35 120.22 3bdm s TYR 98 Ca -0.16 -1.37 0.07 0.00 -0.37 0.00 0.00 57.07 55.23 3bdm s TYR 98 Cb -0.17 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 3bdm s TYR 98 CO 0.08 -0.69 -0.18 -0.51 -1.57 0.00 0.00 175.55 172.68 3bdm s LEU 99 N 1.50 2.21 -0.33 -1.29 1.43 -0.11 0.62 118.68 122.70 3bdm s LEU 99 Ca -0.00 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3bdm s LEU 99 Cb -0.16 -0.81 0.09 0.00 0.03 0.00 0.00 46.19 45.33 3bdm s LEU 99 CO -0.08 0.08 0.05 -0.63 0.23 0.00 0.00 176.35 176.00 3bdm s ILE 100 N -0.94 2.64 -0.14 -0.59 1.01 0.15 0.57 121.20 123.89 3bdm s ILE 100 Ca 0.05 -1.96 -0.06 0.00 0.00 0.00 0.00 60.65 58.68 3bdm s ILE 100 Cb -0.09 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3bdm s ILE 100 CO 0.02 -0.42 0.10 0.54 0.00 0.00 0.00 174.94 175.18 3bdm s VAL 101 N 1.06 5.13 0.34 2.92 0.11 -0.62 -0.66 120.40 128.69 3bdm s VAL 101 Ca 0.03 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 3bdm s VAL 101 Cb -0.20 -3.25 -0.00 0.00 -1.53 0.00 0.00 36.38 31.40 3bdm s VAL 101 CO -0.05 0.56 0.43 0.00 -3.33 0.00 0.00 175.10 172.71 3bdm n ALA 102 N 2.50 -0.10 0.00 1.54 0.00 -0.02 -1.21 120.51 123.22 3bdm n ALA 102 Ca -0.19 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.61 3bdm n ALA 102 Cb 0.54 1.33 0.00 0.00 0.00 0.00 0.00 19.45 21.32 3bdm n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdm n GLY 103 N -0.57 2.52 3.55 0.00 0.00 -1.11 -1.34 105.19 108.23 3bdm n GLY 103 Ca 0.02 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 3bdm n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 104 N -1.74 3.17 0.30 1.61 -7.23 -0.74 -1.47 120.40 114.30 3bdm s VAL 104 Ca 0.00 -1.46 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 3bdm s VAL 104 Cb 0.00 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.45 3bdm s VAL 104 CO 0.00 0.03 0.66 1.51 -0.31 0.00 0.00 175.10 176.99 3bdm s ASP 105 N -2.40 -0.08 0.08 4.85 3.84 -0.61 -4.74 116.67 117.60 3bdm s ASP 105 Ca 0.22 -0.87 0.00 0.00 -0.00 0.00 0.00 52.55 51.90 3bdm s ASP 105 Cb -0.10 0.72 0.02 0.00 -1.38 0.00 0.00 42.92 42.18 3bdm s ASP 105 CO 0.13 -1.37 0.60 -2.65 -0.00 0.00 0.00 175.17 171.89 3bdm n PRO 10 N -0.46 0.01 -0.12 2.11 -0.02 -1.26 -0.27 135.00 134.99 3bdm n PRO 10 Ca -0.04 0.14 0.04 0.00 -2.02 0.00 0.00 63.50 61.62 3bdm n PRO 10 Cb 0.60 -2.03 0.10 0.00 -0.02 0.00 0.00 33.50 32.15 3bdm n PRO 10 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3bdm n THR 106 N -1.21 0.95 0.00 3.45 -2.24 -1.26 -5.11 114.28 108.86 3bdm n THR 106 Ca -0.00 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3bdm n THR 106 Cb 0.52 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3bdm n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdm n GLY 107 N 0.21 0.25 3.78 3.38 0.00 0.63 -5.04 105.19 108.40 3bdm n GLY 107 Ca 0.08 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 3bdm n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bdm s SER 108 N -4.00 5.72 0.06 1.61 1.04 -1.26 -1.58 113.70 115.29 3bdm s SER 108 Ca 0.00 0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.67 3bdm s SER 108 Cb 0.00 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.41 3bdm s SER 108 CO 0.00 0.32 -0.09 -1.00 0.98 0.00 0.00 173.24 173.45 3bdm s HIS 109 N -1.10 0.83 -0.11 5.02 3.76 -0.54 -5.01 115.29 118.13 3bdm s HIS 109 Ca 0.19 -0.53 -0.04 0.00 -0.15 0.00 0.00 55.06 54.54 3bdm s HIS 109 Cb -0.12 -0.48 0.05 0.00 1.11 0.00 0.00 32.58 33.14 3bdm s HIS 109 CO 0.10 -0.05 0.12 -1.17 -0.85 0.00 0.00 174.74 172.89 3bdm s LEU 110 N -1.77 0.09 0.31 0.89 2.96 -1.26 -2.77 118.68 117.13 3bdm s LEU 110 Ca -0.06 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3bdm s LEU 110 Cb -0.08 0.03 -0.05 0.00 0.50 0.00 0.00 46.19 46.59 3bdm s LEU 110 CO 0.00 -0.29 0.10 -0.36 -1.32 0.00 0.00 176.35 174.49 3bdm s PHE 111 N 2.22 1.72 -0.07 5.38 0.08 -0.35 -3.11 117.98 123.86 3bdm s PHE 111 Ca 0.04 -1.17 -0.06 0.00 0.12 0.00 0.00 56.93 55.86 3bdm s PHE 111 Cb -0.14 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.28 3bdm s PHE 111 CO -0.07 -0.27 0.17 -1.54 -0.10 0.00 0.00 175.22 173.42 3bdm s SER 112 N -3.43 -0.18 -0.05 1.36 1.04 -1.09 -1.59 113.70 109.77 3bdm s SER 112 Ca 0.34 0.35 0.04 0.00 0.48 0.00 0.00 55.95 57.17 3bdm s SER 112 Cb 0.07 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 3bdm s SER 112 CO 0.15 -0.07 -0.18 -0.63 0.98 0.00 0.00 173.24 173.49 3bdm s ILE 113 N 0.16 1.53 0.11 -1.02 1.01 0.19 -1.54 121.20 121.64 3bdm s ILE 113 Ca -0.01 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3bdm s ILE 113 Cb -0.02 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 3bdm s ILE 113 CO -0.00 0.44 0.24 -1.00 0.00 0.00 0.00 174.94 174.62 3bdm s HIS 114 N 0.10 3.47 0.54 3.97 3.76 -0.53 -0.94 115.29 125.66 3bdm s HIS 114 Ca -0.06 0.16 0.37 0.00 -0.15 0.00 0.00 55.06 55.38 3bdm s HIS 114 Cb -0.13 -1.69 1.55 0.00 1.11 0.00 0.00 32.58 33.42 3bdm s HIS 114 CO 0.03 0.54 1.78 0.00 -0.85 0.00 0.00 174.74 176.25 3bdm h ALA 115 N 2.53 3.14 0.00 -1.40 0.00 -1.39 0.38 119.26 122.52 3bdm h ALA 115 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3bdm h ALA 115 Cb 1.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3bdm h ALA 115 CO 0.71 -1.50 -0.10 0.72 0.00 0.00 0.00 179.25 179.08 3bdm n HIS 116 N -4.19 0.15 0.00 0.00 8.25 -1.26 -3.79 115.22 114.38 3bdm n HIS 116 Ca 0.27 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 3bdm n HIS 116 Cb 1.29 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 31.87 3bdm n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bdm n GLY 117 N 1.47 0.88 3.81 -1.41 0.00 0.13 -3.98 105.19 106.08 3bdm n GLY 117 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3bdm n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bdm s SER 118 N -1.69 6.99 0.15 1.61 1.04 -1.25 -4.79 113.70 115.76 3bdm s SER 118 Ca 0.00 1.76 0.09 0.00 0.48 0.00 0.00 55.95 58.28 3bdm s SER 118 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 3bdm s SER 118 CO 0.00 -0.32 -0.21 0.42 0.98 0.00 0.00 173.24 174.11 3bdm s THR 119 N -2.01 1.94 0.32 2.02 -4.23 -1.26 -1.45 115.64 110.97 3bdm s THR 119 Ca 0.59 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.34 3bdm s THR 119 Cb -0.12 -1.82 -0.06 0.00 1.34 0.00 0.00 72.50 71.83 3bdm s THR 119 CO 0.17 -0.14 0.05 -1.81 -0.54 0.00 0.00 174.62 172.35 3bdm s ASP 120 N -2.34 2.34 -0.06 3.99 1.01 -0.59 -4.98 116.67 116.03 3bdm s ASP 120 Ca 0.13 -1.36 -0.08 0.00 0.71 0.00 0.00 52.55 51.95 3bdm s ASP 120 Cb -0.08 -0.08 0.02 0.00 1.01 0.00 0.00 42.92 43.79 3bdm s ASP 120 CO 0.06 -0.60 0.20 0.54 0.21 0.00 0.00 175.17 175.59 3bdm s VAL 121 N -3.30 0.02 -0.06 -1.27 0.11 -1.26 -2.67 120.40 111.97 3bdm s VAL 121 Ca 0.36 -0.15 -0.25 0.00 -2.93 0.00 0.00 61.98 59.01 3bdm s VAL 121 Cb 0.08 -0.34 0.08 0.00 -1.53 0.00 0.00 36.38 34.67 3bdm s VAL 121 CO 0.15 -0.08 1.13 0.61 -3.33 0.00 0.00 175.10 173.57 3bdm n GLY 122 N 2.60 0.18 0.12 6.54 0.00 -1.18 -5.02 105.19 108.43 3bdm n GLY 122 Ca -0.15 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.00 3bdm n GLY 122 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bdm h TYR 123 N 1.84 0.00 -2.45 1.61 -1.99 -1.93 -3.42 116.97 110.63 3bdm h TYR 123 Ca -0.17 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.48 3bdm h TYR 123 Cb 0.98 0.00 -0.23 0.00 2.00 0.00 0.00 36.73 39.48 3bdm h TYR 123 CO 0.00 0.00 -0.11 1.52 -0.00 0.00 0.00 178.16 179.57 3bdm s TYR 124 N -3.28 -0.63 0.14 4.88 1.13 -1.25 -0.32 117.35 118.02 3bdm s TYR 124 Ca 0.03 1.46 -0.11 0.00 -1.41 0.00 0.00 57.07 57.04 3bdm s TYR 124 Cb 0.10 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 41.21 3bdm s TYR 124 CO 0.75 -0.31 0.30 -0.51 -2.51 0.00 0.00 175.55 173.27 3bdm s LEU 125 N 0.55 0.91 -0.05 -3.49 1.43 -0.28 -4.95 118.68 112.80 3bdm s LEU 125 Ca -0.02 -0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 3bdm s LEU 125 Cb -0.04 1.36 0.04 0.00 0.03 0.00 0.00 46.19 47.57 3bdm s LEU 125 CO -0.03 -0.86 0.43 -0.94 0.23 0.00 0.00 176.35 175.18 3bdm s SER 126 N -2.90 -0.36 0.19 2.29 1.04 -1.26 -0.34 113.70 112.36 3bdm s SER 126 Ca 0.10 0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 3bdm s SER 126 Cb 0.03 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 3bdm s SER 126 CO -0.05 -0.44 0.22 -0.76 0.98 0.00 0.00 173.24 173.19 3bdm s LEU 127 N -1.04 1.03 0.00 2.42 1.43 -0.75 -4.92 118.68 116.85 3bdm s LEU 127 Ca -0.11 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.83 3bdm s LEU 127 Cb -0.04 0.83 0.00 0.00 0.03 0.00 0.00 46.19 47.01 3bdm s LEU 127 CO 0.05 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.34 3bdm n GLY 128 N -0.26 -2.71 0.18 -3.19 0.00 -1.26 -2.01 105.19 95.95 3bdm n GLY 128 Ca -0.02 -2.17 0.04 0.00 0.00 0.00 0.00 46.02 43.88 3bdm n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bdm h SER 129 N 0.00 0.00 -0.02 1.61 4.64 -1.09 -1.75 113.55 116.93 3bdm h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bdm h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bdm h SER 129 CO 0.00 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 3bdm n GLY 130 N 0.01 -0.47 0.11 -0.77 0.00 0.36 -4.46 105.19 99.97 3bdm n GLY 130 Ca -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 3bdm n GLY 130 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bdm n SER 131 N -0.37 -0.28 -0.30 1.61 2.88 -0.66 -1.32 113.62 115.18 3bdm n SER 131 Ca 0.20 0.80 -0.03 0.00 -1.33 0.00 0.00 58.87 58.51 3bdm n SER 131 Cb 0.22 -0.22 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 3bdm n SER 131 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3bdm h LEU 132 N 0.00 1.05 -0.05 2.46 4.07 -1.83 -1.42 115.31 119.59 3bdm h LEU 132 Ca 0.04 -0.08 0.01 0.00 0.08 0.00 0.00 57.88 57.93 3bdm h LEU 132 Cb 0.11 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3bdm h LEU 132 CO -0.25 0.83 -0.01 0.00 -1.08 0.00 0.00 178.44 177.93 3bdm h ALA 133 N 1.34 0.04 0.75 1.53 0.00 -1.51 -1.59 119.26 119.81 3bdm h ALA 133 Ca 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3bdm h ALA 133 Cb 0.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3bdm h ALA 133 CO -0.05 -0.49 -0.42 0.00 0.00 0.00 0.00 179.25 178.29 3bdm h ALA 134 N 1.05 -1.11 -1.02 0.00 0.00 -1.19 -2.76 119.26 114.23 3bdm h ALA 134 Ca 0.02 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 54.96 3bdm h ALA 134 Cb 0.03 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 3bdm h ALA 134 CO -0.05 -1.13 0.67 1.98 0.00 0.00 0.00 179.25 180.72 3bdm h MET 135 N -1.09 0.33 -0.85 0.00 -1.53 -1.20 0.45 114.93 111.05 3bdm h MET 135 Ca -0.10 -0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.17 3bdm h MET 135 Cb 0.86 -0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 31.79 3bdm h MET 135 CO 0.13 0.22 0.55 0.00 0.14 0.00 0.00 176.91 177.94 3bdm h ALA 136 N 1.59 1.11 -0.23 0.39 0.00 -0.99 0.26 119.26 121.39 3bdm h ALA 136 Ca 0.56 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.24 3bdm h ALA 136 Cb 1.52 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bdm h ALA 136 CO -0.23 0.40 -0.58 0.28 0.00 0.00 0.00 179.25 179.12 3bdm h VAL 137 N 1.08 1.29 -0.43 0.00 2.07 -0.07 -2.85 116.25 117.33 3bdm h VAL 137 Ca 0.33 -1.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.02 3bdm h VAL 137 Cb -0.02 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3bdm h VAL 137 CO -0.11 0.57 0.06 -0.07 0.02 0.00 0.00 177.57 178.04 3bdm h LEU 138 N 0.55 0.68 -0.15 2.57 3.38 -0.76 -0.89 115.31 120.69 3bdm h LEU 138 Ca -0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3bdm h LEU 138 Cb 1.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3bdm h LEU 138 CO 0.13 0.78 0.00 -0.62 0.09 0.00 0.00 178.44 178.81 3bdm n GLU 139 N -4.48 0.04 -0.01 1.13 -0.58 0.89 -1.04 120.64 116.59 3bdm n GLU 139 Ca -0.00 0.32 0.09 0.00 -0.42 0.00 0.00 57.16 57.14 3bdm n GLU 139 Cb 0.25 -1.57 -0.13 0.00 -0.57 0.00 0.00 31.44 29.41 3bdm n GLU 139 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3bdm n SER 140 N -1.64 0.89 0.00 1.62 7.64 -0.78 -4.74 113.62 116.60 3bdm n SER 140 Ca 0.03 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3bdm n SER 140 Cb 0.16 1.71 0.00 0.00 -1.01 0.00 0.00 64.21 65.06 3bdm n SER 140 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3bdm n HIS 141 N -2.02 0.00 -2.05 1.43 8.25 -0.41 -5.06 115.22 115.36 3bdm n HIS 141 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 3bdm n HIS 141 Cb 0.44 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 3bdm n HIS 141 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3bdm s TRP 142 N -0.65 2.98 0.05 4.41 -0.00 -0.20 -5.01 118.94 120.51 3bdm s TRP 142 Ca 0.00 1.29 -0.04 0.00 -0.00 0.00 0.00 56.10 57.36 3bdm s TRP 142 Cb 0.00 -3.76 -0.02 0.00 -0.00 0.00 0.00 33.47 29.69 3bdm s TRP 142 CO 0.00 -2.20 0.05 -1.59 -0.00 0.00 0.00 176.95 173.21 3bdm s LYS 143 N -1.51 0.60 0.37 5.86 -2.85 -1.26 -5.00 119.74 115.95 3bdm s LYS 143 Ca 0.52 -0.93 -0.26 0.00 -1.00 0.00 0.00 55.97 54.29 3bdm s LYS 143 Cb -0.41 0.22 -0.09 0.00 -2.06 0.00 0.00 37.83 35.49 3bdm s LYS 143 CO 0.52 -0.14 1.13 -1.14 0.10 0.00 0.00 175.35 175.82 3bdm s GLN 144 N -3.12 4.21 -0.66 1.78 0.74 -1.26 -4.11 119.66 117.25 3bdm s GLN 144 Ca -0.01 1.76 -0.04 0.00 0.05 0.00 0.00 55.36 57.13 3bdm s GLN 144 Cb 0.02 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 3bdm s GLN 144 CO -0.07 -0.16 0.58 -0.25 -0.55 0.00 0.00 175.29 174.84 3bdm n ASP 145 N 0.29 -4.85 -4.88 6.67 9.92 -1.26 -5.03 116.55 117.40 3bdm n ASP 145 Ca 0.03 -0.44 -0.29 0.00 -0.53 0.00 0.00 54.79 53.55 3bdm n ASP 145 Cb 0.47 -3.45 -0.01 0.00 -0.64 0.00 0.00 41.12 37.48 3bdm n ASP 145 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3bdm s LEU 146 N -4.50 3.58 0.53 0.64 1.43 -1.26 -4.76 118.68 114.34 3bdm s LEU 146 Ca 0.28 1.17 -0.00 0.00 -1.03 0.00 0.00 54.13 54.54 3bdm s LEU 146 Cb -0.04 -4.13 0.02 0.00 0.03 0.00 0.00 46.19 42.08 3bdm s LEU 146 CO 0.46 -0.61 0.76 0.42 0.23 0.00 0.00 176.35 177.62 3bdm s THR 147 N -2.75 3.24 0.38 5.49 -4.23 -1.26 -0.29 115.64 116.22 3bdm s THR 147 Ca 0.51 -0.51 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 3bdm s THR 147 Cb -0.10 -3.23 0.32 0.00 1.34 0.00 0.00 72.50 70.83 3bdm s THR 147 CO 0.43 -0.17 1.92 0.50 -0.54 0.00 0.00 174.62 176.76 3bdm h LYS 148 N 0.13 0.61 -0.04 3.99 3.64 -1.97 -0.64 116.57 122.28 3bdm h LYS 148 Ca -0.44 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 58.66 3bdm h LYS 148 Cb 1.28 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3bdm h LYS 148 CO 0.55 0.40 -0.93 0.93 -2.27 0.00 0.00 179.45 178.14 3bdm h GLU 149 N 0.63 0.63 -0.40 1.90 3.07 -2.00 -2.62 114.58 115.79 3bdm h GLU 149 Ca 0.37 -0.63 -0.07 0.00 -0.50 0.00 0.00 59.36 58.53 3bdm h GLU 149 Cb 0.57 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3bdm h GLU 149 CO -0.14 1.23 -0.03 0.93 -1.40 0.00 0.00 179.01 179.60 3bdm h GLU 150 N 0.38 0.73 -0.45 2.33 5.08 -1.80 -2.13 114.58 118.72 3bdm h GLU 150 Ca -0.09 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3bdm h GLU 150 Cb 1.57 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 3bdm h GLU 150 CO 0.18 0.84 0.29 0.00 -1.00 0.00 0.00 179.01 179.32 3bdm h ALA 151 N 0.87 0.56 -0.86 3.43 0.00 -1.17 0.72 119.26 122.82 3bdm h ALA 151 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3bdm h ALA 151 Cb 0.53 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3bdm h ALA 151 CO 0.03 0.02 0.45 0.82 0.00 0.00 0.00 179.25 180.57 3bdm h ILE 152 N 0.60 1.26 0.55 0.00 2.04 -1.37 0.16 117.51 120.75 3bdm h ILE 152 Ca 0.16 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 3bdm h ILE 152 Cb -0.07 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.13 3bdm h ILE 152 CO -0.04 0.29 -0.26 0.50 0.00 0.00 0.00 178.15 178.64 3bdm h LYS 153 N 1.21 -0.71 -0.06 2.37 3.11 -0.89 0.29 116.57 121.89 3bdm h LYS 153 Ca 0.30 0.05 0.04 0.00 -2.81 0.00 0.00 60.65 58.23 3bdm h LYS 153 Cb 0.06 0.16 -0.06 0.00 -1.00 0.00 0.00 32.23 31.39 3bdm h LYS 153 CO -0.05 -0.45 -0.33 1.25 -2.81 0.00 0.00 179.45 177.07 3bdm h LEU 154 N -0.81 -0.99 -0.26 5.20 5.85 -0.63 0.30 115.31 123.97 3bdm h LEU 154 Ca -0.08 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3bdm h LEU 154 Cb 0.60 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 3bdm h LEU 154 CO 0.12 -0.38 -0.10 0.00 -0.34 0.00 0.00 178.44 177.75 3bdm h ALA 155 N 0.31 0.12 -0.70 1.25 0.00 -0.61 0.40 119.26 120.03 3bdm h ALA 155 Ca 0.07 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3bdm h ALA 155 Cb 0.56 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3bdm h ALA 155 CO -0.31 -0.50 0.43 1.03 0.00 0.00 0.00 179.25 179.90 3bdm h SER 156 N -0.05 0.71 -0.27 0.00 0.87 0.26 -2.05 113.55 113.01 3bdm h SER 156 Ca 0.13 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3bdm h SER 156 Cb 0.25 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3bdm h SER 156 CO -0.30 0.48 -0.01 0.44 -0.53 0.00 0.00 176.83 176.92 3bdm h ASP 157 N 0.84 0.48 -0.95 6.23 3.45 0.12 -1.94 116.42 124.65 3bdm h ASP 157 Ca 0.28 -0.32 0.13 0.00 0.43 0.00 0.00 57.03 57.56 3bdm h ASP 157 Cb 0.04 -0.13 -0.08 0.00 -0.56 0.00 0.00 39.33 38.60 3bdm h ASP 157 CO -0.12 0.68 0.60 0.00 -1.57 0.00 0.00 179.24 178.83 3bdm h ALA 158 N 0.82 1.66 -0.48 3.45 0.00 -0.61 0.16 119.26 124.25 3bdm h ALA 158 Ca 0.08 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3bdm h ALA 158 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3bdm h ALA 158 CO 0.02 0.10 -0.19 0.82 0.00 0.00 0.00 179.25 180.00 3bdm h ILE 159 N 0.86 1.27 -0.85 0.00 1.08 -1.20 -2.95 117.51 115.72 3bdm h ILE 159 Ca 0.47 -1.35 -0.02 0.00 -0.39 0.00 0.00 64.86 63.58 3bdm h ILE 159 Cb 0.59 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 3bdm h ILE 159 CO -0.24 0.47 0.44 1.56 -0.69 0.00 0.00 178.15 179.69 3bdm h GLN 160 N 0.83 1.20 -0.94 2.37 4.20 -0.09 -0.66 115.11 122.03 3bdm h GLN 160 Ca 0.11 -0.15 0.23 0.00 0.06 0.00 0.00 58.65 58.90 3bdm h GLN 160 Cb 0.76 -0.23 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 3bdm h GLN 160 CO 0.06 0.90 0.63 0.00 -0.67 0.00 0.00 178.83 179.75 3bdm h ALA 161 N 1.24 2.39 0.00 3.87 0.00 -0.63 -1.80 119.26 124.33 3bdm h ALA 161 Ca 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3bdm h ALA 161 Cb 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3bdm h ALA 161 CO -0.04 -0.70 -0.00 0.78 0.00 0.00 0.00 179.25 179.29 3bdm h GLY 162 N 0.29 0.00 -0.56 0.00 0.00 -1.14 -2.83 103.07 98.84 3bdm h GLY 162 Ca 0.49 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.89 3bdm h GLY 162 CO -0.15 0.00 -0.52 -2.22 0.00 0.00 0.00 176.54 173.65 3bdm h ILE 163 N -1.00 0.03 0.45 2.60 5.03 -0.42 0.60 117.51 124.80 3bdm h ILE 163 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.72 3bdm h ILE 163 Cb 0.93 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.76 3bdm h ILE 163 CO -0.00 0.00 -0.21 -0.50 -0.68 0.00 0.00 178.15 176.75 3bdm h TRP 164 N -0.26 -0.56 0.00 1.37 -0.00 -1.57 -3.35 115.95 111.59 3bdm h TRP 164 Ca 0.13 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.99 3bdm h TRP 164 Cb 0.55 0.18 -0.00 0.00 -0.00 0.00 0.00 29.16 29.89 3bdm h TRP 164 CO -0.78 -0.24 -0.13 -0.91 -0.00 0.00 0.00 178.44 176.38 3bdm h ASN 165 N -0.87 0.00 -3.32 -3.49 -0.26 -1.40 -3.45 115.58 102.80 3bdm h ASN 165 Ca -0.06 0.00 -0.63 0.00 -0.56 0.00 0.00 56.30 55.05 3bdm h ASN 165 Cb 0.57 0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 37.63 3bdm h ASN 165 CO 0.10 0.11 -0.62 -0.62 -1.06 0.00 0.00 177.43 175.34 3bdm s ASP 166 N -6.25 5.16 0.53 5.81 2.15 0.21 -4.97 116.67 119.30 3bdm s ASP 166 Ca 0.06 -0.05 0.32 0.00 0.43 0.00 0.00 52.55 53.31 3bdm s ASP 166 Cb 0.06 -1.87 1.28 0.00 -0.30 0.00 0.00 42.92 42.09 3bdm s ASP 166 CO 0.69 0.15 1.95 -0.07 -0.17 0.00 0.00 175.17 177.73 3bdm h LEU 167 N 6.83 0.00 -0.36 -1.34 3.38 -1.85 -2.72 115.31 119.25 3bdm h LEU 167 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3bdm h LEU 167 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3bdm h LEU 167 CO 0.66 0.05 -0.17 0.61 0.09 0.00 0.00 178.44 179.67 3bdm n GLY 168 N 0.04 -0.78 3.41 0.83 0.00 -1.26 -4.88 105.19 102.56 3bdm n GLY 168 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 3bdm n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bdm s SER 169 N -2.48 3.07 0.00 1.61 0.01 -1.03 -1.76 113.70 113.12 3bdm s SER 169 Ca 0.27 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.49 3bdm s SER 169 Cb 0.20 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.21 3bdm s SER 169 CO 0.49 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.66 3bdm n GLY 170 N -0.51 -1.29 7.00 3.44 0.00 -1.26 -4.60 105.19 107.97 3bdm n GLY 170 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3bdm n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bdm n SER 171 N 2.17 0.00 -4.72 1.61 7.64 -1.26 -2.62 113.62 116.43 3bdm n SER 171 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 3bdm n SER 171 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3bdm n SER 171 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3bdm n ASN 172 N 10.54 2.98 -4.15 6.43 5.03 -1.26 -4.17 115.26 130.66 3bdm n ASN 172 Ca 0.00 -2.99 -0.31 0.00 0.87 0.00 0.00 54.58 52.15 3bdm n ASN 172 Cb 0.00 0.11 -0.17 0.00 -1.02 0.00 0.00 39.78 38.71 3bdm n ASN 172 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3bdm s VAL 173 N -2.72 1.93 -0.11 2.41 1.01 -0.52 -2.64 120.40 119.76 3bdm s VAL 173 Ca 0.19 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3bdm s VAL 173 Cb -0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3bdm s VAL 173 CO 0.12 0.53 -0.06 -1.81 0.00 0.00 0.00 175.10 173.88 3bdm s ASP 174 N 0.76 4.70 0.12 3.32 1.01 0.20 0.04 116.67 126.81 3bdm s ASP 174 Ca -0.09 -0.08 0.06 0.00 0.71 0.00 0.00 52.55 53.15 3bdm s ASP 174 Cb -0.16 -1.48 -0.04 0.00 1.01 0.00 0.00 42.92 42.25 3bdm s ASP 174 CO 0.00 0.27 -0.14 -0.69 0.21 0.00 0.00 175.17 174.82 3bdm s VAL 175 N -0.24 1.28 -0.11 -1.27 1.01 -0.78 -1.18 120.40 119.11 3bdm s VAL 175 Ca 0.04 -1.68 -0.04 0.00 0.00 0.00 0.00 61.98 60.30 3bdm s VAL 175 Cb -0.13 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.83 3bdm s VAL 175 CO 0.02 -0.42 0.18 0.00 0.00 0.00 0.00 175.10 174.89 3bdm s VAL 177 N 2.31 4.86 -0.36 0.00 1.01 0.17 -2.16 120.40 126.22 3bdm s VAL 177 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3bdm s VAL 177 Cb -0.13 -3.19 0.11 0.00 0.00 0.00 0.00 36.38 33.17 3bdm s VAL 177 CO -0.07 0.46 0.10 -0.04 0.00 0.00 0.00 175.10 175.56 3bdm s MET 178 N 0.32 1.32 -0.16 2.72 -1.94 -0.54 -0.01 119.30 121.02 3bdm s MET 178 Ca 0.04 -1.77 -0.11 0.00 -1.71 0.00 0.00 55.69 52.14 3bdm s MET 178 Cb -0.12 -2.83 -0.05 0.00 2.01 0.00 0.00 34.83 33.85 3bdm s MET 178 CO -0.00 -0.99 0.19 -2.00 -0.01 0.00 0.00 175.02 172.21 3bdm s GLU 179 N 0.90 4.03 0.22 2.03 2.12 -1.26 -1.20 118.70 125.53 3bdm s GLU 179 Ca 0.12 -0.08 0.06 0.00 0.36 0.00 0.00 54.97 55.43 3bdm s GLU 179 Cb -0.20 -3.36 0.63 0.00 0.26 0.00 0.00 34.13 31.46 3bdm s GLU 179 CO -0.11 0.41 1.02 -0.89 -0.54 0.00 0.00 175.26 175.15 3bdm n ILE 180 N 3.11 -0.27 0.26 -3.70 2.08 0.44 -1.80 119.36 119.47 3bdm n ILE 180 Ca -0.16 1.39 0.10 0.00 0.56 0.00 0.00 62.75 64.64 3bdm n ILE 180 Cb 0.53 -2.10 -0.14 0.00 -0.75 0.00 0.00 39.64 37.17 3bdm n ILE 180 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3bdm n GLY 181 N -1.27 -0.89 0.38 7.39 0.00 -1.26 -4.91 105.19 104.63 3bdm n GLY 181 Ca 0.19 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 3bdm n GLY 181 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bdm n LYS 182 N -1.98 1.15 -2.91 1.61 5.02 -0.75 -5.10 118.16 115.21 3bdm n LYS 182 Ca -0.02 -0.32 -0.36 0.00 -2.02 0.00 0.00 58.31 55.59 3bdm n LYS 182 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.41 3bdm n LYS 182 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bdm s ASP 183 N -1.34 7.21 0.31 4.39 -0.00 -1.26 -4.69 116.67 121.28 3bdm s ASP 183 Ca 0.05 1.66 -0.29 0.00 -0.00 0.00 0.00 52.55 53.97 3bdm s ASP 183 Cb -0.00 -2.51 -0.10 0.00 -0.00 0.00 0.00 42.92 40.30 3bdm s ASP 183 CO 0.03 -0.04 1.29 0.00 -0.00 0.00 0.00 175.17 176.45 3bdm s ALA 184 N -1.61 3.50 -0.24 5.23 0.00 -1.26 -4.70 121.76 122.68 3bdm s ALA 184 Ca 0.48 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.62 3bdm s ALA 184 Cb -0.17 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3bdm s ALA 184 CO 0.22 -0.58 -0.05 -1.83 0.00 0.00 0.00 175.76 173.52 3bdm s GLU 185 N -1.48 3.00 -0.23 0.00 -1.05 0.99 -4.96 118.70 114.97 3bdm s GLU 185 Ca 0.50 -0.87 -0.21 0.00 -0.15 0.00 0.00 54.97 54.24 3bdm s GLU 185 Cb -0.39 -3.00 -0.02 0.00 -0.44 0.00 0.00 34.13 30.29 3bdm s GLU 185 CO 0.49 -0.34 0.64 -0.47 0.95 0.00 0.00 175.26 176.53 3bdm s TYR 186 N 1.38 3.33 -0.84 4.83 5.04 -1.26 -0.65 117.35 129.17 3bdm s TYR 186 Ca 0.02 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.54 3bdm s TYR 186 Cb -0.16 -2.83 0.20 0.00 0.35 0.00 0.00 41.96 39.53 3bdm s TYR 186 CO -0.04 -0.26 0.69 -0.51 -1.34 0.00 0.00 175.55 174.09 3bdm s LEU 187 N 2.25 5.32 0.18 6.97 1.43 0.16 -5.00 118.68 129.99 3bdm s LEU 187 Ca 0.28 -3.78 -0.31 0.00 -1.03 0.00 0.00 54.13 49.29 3bdm s LEU 187 Cb -0.16 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 3bdm s LEU 187 CO 0.09 -0.15 1.45 -0.60 0.23 0.00 0.00 176.35 177.38 3bdm s ARG 189 N -1.40 4.28 -1.29 1.70 6.06 -1.26 -1.87 118.95 125.16 3bdm s ARG 189 Ca 0.27 2.23 -0.01 0.00 -2.50 0.00 0.00 55.73 55.71 3bdm s ARG 189 Cb -0.06 -3.17 0.01 0.00 0.06 0.00 0.00 34.95 31.78 3bdm s ARG 189 CO -0.14 -0.47 0.82 0.09 -2.50 0.00 0.00 175.30 173.11 3bdm n ASN 190 N 3.37 -1.85 -0.30 -2.12 4.13 -1.23 -4.87 115.26 112.40 3bdm n ASN 190 Ca 0.10 -0.75 0.05 0.00 1.68 0.00 0.00 54.58 55.67 3bdm n ASN 190 Cb 0.41 -4.39 0.26 0.00 -1.54 0.00 0.00 39.78 34.52 3bdm n ASN 190 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3bdm h TYR 191 N -1.93 1.02 -3.88 3.10 -0.00 -0.28 -3.41 116.97 111.60 3bdm h TYR 191 Ca -0.60 0.03 -0.48 0.00 -0.00 0.00 0.00 58.73 57.68 3bdm h TYR 191 Cb 1.35 -0.33 -0.31 0.00 -0.00 0.00 0.00 36.73 37.44 3bdm h TYR 191 CO 0.47 0.51 -0.81 -0.51 -0.00 0.00 0.00 178.16 177.82 3bdm s LEU 192 N -9.98 1.85 -0.50 2.82 1.43 -1.07 -4.99 118.68 108.23 3bdm s LEU 192 Ca -0.11 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 3bdm s LEU 192 Cb 0.20 -0.71 0.23 0.00 0.03 0.00 0.00 46.19 45.94 3bdm s LEU 192 CO 0.80 0.10 0.55 0.35 0.23 0.00 0.00 176.35 178.39 3bdm n THR 193 N 3.19 0.39 0.93 5.49 -2.24 -1.26 -1.44 114.28 119.34 3bdm n THR 193 Ca -0.18 -4.37 0.02 0.00 -2.27 0.00 0.00 64.05 57.26 3bdm n THR 193 Cb 0.54 -1.97 0.10 0.00 -2.10 0.00 0.00 70.33 66.89 3bdm n THR 193 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3bdm n PRO 194 N 1.55 1.74 -2.65 -0.78 -0.04 -1.26 -4.34 135.00 129.22 3bdm n PRO 194 Ca 0.25 -0.76 -0.13 0.00 -0.04 0.00 0.00 63.50 62.82 3bdm n PRO 194 Cb 0.46 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 3bdm n PRO 194 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3bdm n ASN 195 N 0.11 2.09 -4.71 3.54 3.02 -1.26 -5.07 115.26 112.99 3bdm n ASN 195 Ca 0.07 -2.93 -0.42 0.00 -0.03 0.00 0.00 54.58 51.27 3bdm n ASN 195 Cb 0.33 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 3bdm n ASN 195 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bdm s VAL 196 N -3.58 4.47 0.34 2.41 1.01 -1.26 -4.98 120.40 118.82 3bdm s VAL 196 Ca 0.32 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 63.79 3bdm s VAL 196 Cb 0.44 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 3bdm s VAL 196 CO -0.01 0.11 1.47 -0.60 0.00 0.00 0.00 175.10 176.07 3bdm s ARG 197 N 1.27 4.17 0.56 2.72 3.00 -1.26 -4.97 118.95 124.43 3bdm s ARG 197 Ca 0.55 2.49 -0.19 0.00 -1.00 0.00 0.00 55.73 57.58 3bdm s ARG 197 Cb -0.24 -3.01 -0.05 0.00 0.00 0.00 0.00 34.95 31.65 3bdm s ARG 197 CO 0.27 -0.48 1.11 -1.83 0.00 0.00 0.00 175.30 174.37 3bdm s GLU 198 N -1.62 3.30 0.27 5.12 -1.05 -1.26 -4.93 118.70 118.54 3bdm s GLU 198 Ca 0.54 1.52 -0.30 0.00 -0.15 0.00 0.00 54.97 56.58 3bdm s GLU 198 Cb -0.45 -2.01 -0.12 0.00 -0.44 0.00 0.00 34.13 31.11 3bdm s GLU 198 CO 0.57 -0.87 1.48 -1.91 0.95 0.00 0.00 175.26 175.48 3bdm n GLU 199 N -1.51 2.34 -1.59 -4.83 2.13 -1.26 -4.92 120.64 111.00 3bdm n GLU 199 Ca 0.11 0.83 -0.35 0.00 0.66 0.00 0.00 57.16 58.41 3bdm n GLU 199 Cb 0.51 -2.54 0.08 0.00 0.27 0.00 0.00 31.44 29.77 3bdm n GLU 199 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3bdm s LYS 200 N -0.59 2.34 0.43 5.31 1.02 -1.26 -4.92 119.74 122.07 3bdm s LYS 200 Ca 0.65 1.90 0.22 0.00 0.02 0.00 0.00 55.97 58.76 3bdm s LYS 200 Cb -0.57 -1.84 0.92 0.00 -0.52 0.00 0.00 37.83 35.82 3bdm s LYS 200 CO 0.50 -1.72 1.84 0.37 -0.92 0.00 0.00 175.35 175.43 3bdm h GLN 201 N 0.11 0.00 -3.46 1.68 5.75 -2.05 -3.46 115.11 113.69 3bdm h GLN 201 Ca -0.49 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 57.94 3bdm h GLN 201 Cb 1.31 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.72 3bdm h GLN 201 CO 0.51 0.27 -0.17 0.21 -2.65 0.00 0.00 178.83 177.00 3bdm s LYS 202 N -3.78 0.97 -0.02 1.69 2.20 -1.26 -5.15 119.74 114.38 3bdm s LYS 202 Ca -0.01 -0.72 -0.10 0.00 -0.36 0.00 0.00 55.97 54.78 3bdm s LYS 202 Cb 0.11 0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 36.80 3bdm s LYS 202 CO 0.65 -0.35 0.30 0.45 -0.36 0.00 0.00 175.35 176.04 3bdm s SER 203 N -2.66 6.60 -0.12 1.43 0.15 -1.26 -4.99 113.70 112.85 3bdm s SER 203 Ca 0.02 0.72 0.15 0.00 0.70 0.00 0.00 55.95 57.53 3bdm s SER 203 Cb 0.02 -2.16 0.46 0.00 -1.71 0.00 0.00 66.02 62.63 3bdm s SER 203 CO -0.10 0.31 1.37 -1.22 1.20 0.00 0.00 173.24 174.80 3bdm n TYR 204 N 1.60 0.79 -1.55 3.44 4.01 -1.26 -4.98 117.16 119.21 3bdm n TYR 204 Ca -0.14 -0.76 -0.48 0.00 -0.16 0.00 0.00 57.90 56.36 3bdm n TYR 204 Cb 0.53 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.28 3bdm n TYR 204 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3bdm n LYS 205 N -0.19 1.55 -2.44 -0.72 4.81 -1.26 -4.92 118.16 114.99 3bdm n LYS 205 Ca 0.18 0.47 -0.33 0.00 -0.87 0.00 0.00 58.31 57.76 3bdm n LYS 205 Cb 0.74 -2.69 -0.03 0.00 0.02 0.00 0.00 35.03 33.08 3bdm n LYS 205 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3bdm s PHE 206 N 6.73 3.07 0.12 5.64 0.08 -1.26 -5.00 117.98 127.35 3bdm s PHE 206 Ca 1.03 1.55 -0.30 0.00 0.12 0.00 0.00 56.93 59.34 3bdm s PHE 206 Cb -0.70 -3.01 -0.06 0.00 -0.57 0.00 0.00 43.02 38.69 3bdm s PHE 206 CO 0.47 -0.78 1.09 -1.25 -0.10 0.00 0.00 175.22 174.64 3bdm s PRO 207 N -3.51 4.56 0.42 0.24 0.04 -1.26 -4.95 135.00 130.54 3bdm s PRO 207 Ca 0.65 1.66 -0.24 0.00 0.04 0.00 0.00 61.00 63.10 3bdm s PRO 207 Cb -0.15 -3.33 -0.10 0.00 0.04 0.00 0.00 34.50 30.95 3bdm s PRO 207 CO 0.24 -0.01 1.02 0.54 0.04 0.00 0.00 177.00 178.84 3bdm n ARG 208 N 3.01 1.37 -0.01 4.56 1.74 -1.26 -1.94 116.66 124.13 3bdm n ARG 208 Ca 0.05 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 3bdm n ARG 208 Cb 0.47 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 3bdm n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bdm n GLY 209 N 1.17 0.98 0.36 -0.13 0.00 -1.26 -4.93 105.19 101.39 3bdm n GLY 209 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 3bdm n GLY 209 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3bdm h THR 210 N 0.00 1.24 -3.40 2.61 2.02 -1.77 -3.42 112.91 110.20 3bdm h THR 210 Ca 0.00 -0.53 -0.55 0.00 0.77 0.00 0.00 66.41 66.10 3bdm h THR 210 Cb 0.00 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.35 3bdm h THR 210 CO 0.00 0.26 0.23 -0.89 0.37 0.00 0.00 175.52 175.48 3bdm s THR 211 N -5.91 4.92 -0.24 3.16 2.01 -1.26 -5.02 115.64 113.29 3bdm s THR 211 Ca -0.12 1.75 -0.25 0.00 0.31 0.00 0.00 61.69 63.38 3bdm s THR 211 Cb 0.17 -4.18 -0.00 0.00 0.01 0.00 0.00 72.50 68.50 3bdm s THR 211 CO 0.81 0.23 0.86 0.00 -0.69 0.00 0.00 174.62 175.83 3bdm s ALA 212 N 0.78 3.65 0.01 7.40 0.00 -1.26 -5.04 121.76 127.29 3bdm s ALA 212 Ca 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 3bdm s ALA 212 Cb -0.20 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 3bdm s ALA 212 CO 0.23 -0.95 0.18 0.08 0.00 0.00 0.00 175.76 175.30 3bdm s VAL 213 N 2.90 5.38 -0.22 0.00 1.01 -1.26 -5.04 120.40 123.18 3bdm s VAL 213 Ca 0.36 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.21 3bdm s VAL 213 Cb -0.15 -3.54 -0.20 0.00 0.00 0.00 0.00 36.38 32.49 3bdm s VAL 213 CO 0.07 0.28 -0.07 0.18 0.00 0.00 0.00 175.10 175.56 3bdm n LEU 214 N 0.79 1.47 -3.69 3.92 4.77 -1.26 -5.06 117.00 117.94 3bdm n LEU 214 Ca -0.10 -0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.72 3bdm n LEU 214 Cb 0.52 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 3bdm n LEU 214 CO 0.46 0.69 0.27 -0.75 -1.33 0.00 0.00 177.39 176.73 3bdm s LYS 215 N -2.48 1.33 0.06 3.23 2.20 -1.26 -5.19 119.74 117.64 3bdm s LYS 215 Ca -0.21 -0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 54.47 3bdm s LYS 215 Cb 0.07 0.52 0.02 0.00 -1.51 0.00 0.00 37.83 36.93 3bdm s LYS 215 CO 0.68 -0.56 0.30 -2.00 -0.36 0.00 0.00 175.35 173.40 3bdm s GLU 216 N -3.85 0.85 -0.15 4.03 2.12 -1.26 -5.18 118.70 115.26 3bdm s GLU 216 Ca 0.07 -0.61 -0.34 0.00 0.36 0.00 0.00 54.97 54.45 3bdm s GLU 216 Cb -0.01 0.36 0.13 0.00 0.26 0.00 0.00 34.13 34.88 3bdm s GLU 216 CO -0.05 -0.28 1.23 -1.54 -0.54 0.00 0.00 175.26 174.08 3bdm s SER 217 N -2.30 -0.12 0.22 -1.70 1.04 -1.26 -5.17 113.70 104.42 3bdm s SER 217 Ca -0.02 -0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 3bdm s SER 217 Cb 0.00 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 3bdm s SER 217 CO -0.06 -0.25 0.45 -0.63 0.98 0.00 0.00 173.24 173.73 3bdm s ILE 218 N -2.42 5.12 0.07 -1.02 1.09 -1.26 -5.11 121.20 117.68 3bdm s ILE 218 Ca 0.11 -0.10 0.06 0.00 -1.10 0.00 0.00 60.65 59.61 3bdm s ILE 218 Cb 0.00 -3.70 -0.04 0.00 -1.06 0.00 0.00 42.46 37.66 3bdm s ILE 218 CO -0.04 -0.17 -0.09 -0.69 -0.10 0.00 0.00 174.94 173.84 3bdm s VAL 219 N -1.89 3.45 -0.36 2.92 1.01 -1.26 -5.10 120.40 119.17 3bdm s VAL 219 Ca 0.41 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 3bdm s VAL 219 Cb -0.11 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 3bdm s VAL 219 CO 0.28 0.20 0.31 0.21 0.00 0.00 0.00 175.10 176.10 3bdm s ASN 220 N -1.96 6.13 -0.19 3.32 2.47 -1.26 -4.93 114.94 118.52 3bdm s ASN 220 Ca 0.20 -0.42 0.09 0.00 0.42 0.00 0.00 52.86 53.15 3bdm s ASN 220 Cb -0.11 -2.17 -0.18 0.00 -1.45 0.00 0.00 41.25 37.34 3bdm s ASN 220 CO 0.12 -0.33 -0.05 -0.38 -3.72 0.00 0.00 177.10 172.73 3bdm n ILE 221 N 5.20 1.18 -2.14 -5.21 -0.00 -1.26 -4.95 119.36 112.18 3bdm n ILE 221 Ca -0.11 -0.60 -0.42 0.00 -0.00 0.00 0.00 62.75 61.63 3bdm n ILE 221 Cb 0.49 -0.88 -0.03 0.00 -0.00 0.00 0.00 39.64 39.23 3bdm n ILE 221 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55