#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s SER 2 N 0.00 2.84 0.02 8.00 0.01 -1.26 -0.45 113.70 122.86 3bdm s SER 2 Ca 0.00 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.64 3bdm s SER 2 Cb 0.00 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.16 3bdm s SER 2 CO 0.00 -0.13 -0.03 0.27 0.41 0.00 0.00 173.24 173.76 3bdm s ILE 3 N 1.54 0.12 0.17 1.44 -4.36 0.02 -2.12 121.20 118.02 3bdm s ILE 3 Ca 0.02 -0.85 -0.21 0.00 -0.26 0.00 0.00 60.65 59.35 3bdm s ILE 3 Cb -0.14 -0.26 0.05 0.00 1.25 0.00 0.00 42.46 43.36 3bdm s ILE 3 CO -0.09 -0.46 0.56 0.00 0.24 0.00 0.00 174.94 175.20 3bdm s MET 4 N -1.36 1.31 -0.03 0.37 0.23 -0.77 0.34 119.30 119.39 3bdm s MET 4 Ca -0.15 -0.63 -0.01 0.00 -1.03 0.00 0.00 55.69 53.87 3bdm s MET 4 Cb -0.09 0.56 0.03 0.00 -1.53 0.00 0.00 34.83 33.80 3bdm s MET 4 CO -0.01 -0.57 0.07 0.00 -2.03 0.00 0.00 175.02 172.48 3bdm s ALA 5 N -3.80 -0.02 -0.06 3.16 0.00 -0.43 -0.79 121.76 119.82 3bdm s ALA 5 Ca 0.04 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.45 3bdm s ALA 5 Cb -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3bdm s ALA 5 CO -0.09 -0.13 -0.15 0.08 0.00 0.00 0.00 175.76 175.47 3bdm s VAL 6 N 1.11 1.33 0.33 0.00 1.01 -0.12 -1.14 120.40 122.92 3bdm s VAL 6 Ca -0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3bdm s VAL 6 Cb -0.13 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 3bdm s VAL 6 CO -0.04 0.39 0.66 0.42 0.00 0.00 0.00 175.10 176.53 3bdm s THR 7 N 0.40 4.88 0.13 3.92 -4.23 -0.52 -0.86 115.64 119.36 3bdm s THR 7 Ca -0.11 0.43 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 3bdm s THR 7 Cb -0.14 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.00 3bdm s THR 7 CO 0.04 -0.35 0.22 2.22 -0.54 0.00 0.00 174.62 176.20 3bdm n PHE 8 N -0.91 -1.12 -0.31 3.99 1.16 -0.43 -4.52 117.46 115.32 3bdm n PHE 8 Ca 0.01 -0.71 0.12 0.00 -1.87 0.00 0.00 57.45 55.00 3bdm n PHE 8 Cb 0.54 0.25 0.30 0.00 -1.61 0.00 0.00 39.48 38.95 3bdm n PHE 8 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 3bdm h LYS 9 N 0.00 0.43 -0.04 3.97 3.64 -1.50 -2.49 116.57 120.58 3bdm h LYS 9 Ca -0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3bdm h LYS 9 Cb 0.41 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3bdm h LYS 9 CO 0.13 0.29 0.00 -0.25 -2.27 0.00 0.00 179.45 177.35 3bdm n ASP 10 N -5.01 2.73 0.00 4.20 10.43 -1.26 -4.98 116.55 122.67 3bdm n ASP 10 Ca 0.21 -1.90 0.00 0.00 2.57 0.00 0.00 54.79 55.67 3bdm n ASP 10 Cb 0.62 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.57 3bdm n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3bdm n GLY 11 N 1.32 0.17 3.38 0.44 0.00 -0.94 -4.23 105.19 105.33 3bdm n GLY 11 Ca 0.15 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.03 -0.01 1.61 0.11 -0.53 -1.31 120.40 120.30 3bdm s VAL 12 Ca 0.00 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 3bdm s VAL 12 Cb 0.00 -0.99 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3bdm s VAL 12 CO 0.00 -0.15 -0.07 -0.63 -3.33 0.00 0.00 175.10 170.92 3bdm s ILE 13 N -2.60 0.55 -0.06 7.04 1.01 -0.04 -0.27 121.20 126.84 3bdm s ILE 13 Ca -0.04 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.37 3bdm s ILE 13 Cb -0.01 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 3bdm s ILE 13 CO -0.03 0.17 -0.12 -0.76 0.00 0.00 0.00 174.94 174.20 3bdm s LEU 14 N 0.04 2.86 0.05 2.97 1.02 -0.09 -0.95 118.68 124.58 3bdm s LEU 14 Ca -0.00 -0.15 0.02 0.00 0.02 0.00 0.00 54.13 54.02 3bdm s LEU 14 Cb -0.05 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 3bdm s LEU 14 CO -0.00 0.34 -0.07 -0.83 0.02 0.00 0.00 176.35 175.81 3bdm s GLY 15 N -0.70 0.51 0.10 -3.19 0.00 0.03 -0.88 107.32 103.18 3bdm s GLY 15 Ca 0.11 -0.82 -0.25 0.00 0.00 0.00 0.00 44.72 43.75 3bdm s GLY 15 CO 0.01 -0.89 0.66 0.00 0.00 0.00 0.00 173.10 172.88 3bdm s ALA 16 N -1.72 -1.66 0.69 3.20 0.00 -0.38 -1.84 121.76 120.05 3bdm s ALA 16 Ca -0.08 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3bdm s ALA 16 Cb -0.08 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.69 3bdm s ALA 16 CO -0.01 -0.68 0.00 -0.40 0.00 0.00 0.00 175.76 174.67 3bdm n ASP 17 N -0.13 0.00 -0.98 0.00 5.75 -0.90 -0.63 116.55 119.67 3bdm n ASP 17 Ca -0.16 -0.94 0.04 0.00 -0.01 0.00 0.00 54.79 53.71 3bdm n ASP 17 Cb 0.63 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.78 3bdm n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3bdm n SER 18 N -2.83 1.03 -4.60 -1.12 3.41 -0.70 -4.54 113.62 104.27 3bdm n SER 18 Ca 0.00 -2.46 -0.35 0.00 -0.26 0.00 0.00 58.87 55.79 3bdm n SER 18 Cb 0.00 -0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 63.51 3bdm n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3bdm s ARG 19 N -0.88 3.93 -0.16 4.33 3.52 -1.19 -0.89 118.95 127.62 3bdm s ARG 19 Ca 0.27 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 3bdm s ARG 19 Cb 0.29 -3.30 0.03 0.00 -1.56 0.00 0.00 34.95 30.41 3bdm s ARG 19 CO -0.10 0.14 -0.10 0.95 -0.81 0.00 0.00 175.30 175.39 3bdm s THR 20 N 0.74 1.39 0.20 4.11 -4.23 -0.66 -4.64 115.64 112.56 3bdm s THR 20 Ca 0.04 -0.65 0.09 0.00 -1.18 0.00 0.00 61.69 59.99 3bdm s THR 20 Cb -0.13 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 3bdm s THR 20 CO 0.02 0.31 -0.05 0.42 -0.54 0.00 0.00 174.62 174.78 3bdm s THR 21 N 1.54 3.37 -0.42 3.99 -4.23 -1.26 -0.75 115.64 117.88 3bdm s THR 21 Ca 0.03 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 3bdm s THR 21 Cb -0.14 -2.71 0.13 0.00 1.34 0.00 0.00 72.50 71.12 3bdm s THR 21 CO -0.09 -0.18 0.21 0.42 -0.54 0.00 0.00 174.62 174.44 3bdm s THR 22 N -1.87 1.52 0.00 3.99 -4.23 -0.16 -4.83 115.64 110.07 3bdm s THR 22 Ca 0.27 -2.46 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 3bdm s THR 22 Cb -0.08 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.68 3bdm s THR 22 CO 0.17 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 3bdm n GLY 23 N 3.73 0.90 0.96 3.99 0.00 -1.26 -3.05 105.19 110.47 3bdm n GLY 23 Ca 0.06 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.38 3bdm n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm n ALA 24 N 7.63 2.45 -2.70 4.61 0.00 -1.26 -4.91 120.51 126.33 3bdm n ALA 24 Ca 0.00 -0.77 -0.37 0.00 0.00 0.00 0.00 53.44 52.30 3bdm n ALA 24 Cb 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 3bdm n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3bdm s TYR 25 N -1.75 3.52 -0.85 0.00 5.04 -1.17 -5.01 117.35 117.12 3bdm s TYR 25 Ca 0.29 0.71 -0.23 0.00 -2.44 0.00 0.00 57.07 55.41 3bdm s TYR 25 Cb 0.20 -2.35 0.07 0.00 0.35 0.00 0.00 41.96 40.23 3bdm s TYR 25 CO 0.29 0.31 1.21 0.42 -1.34 0.00 0.00 175.55 176.44 3bdm s ILE 26 N 0.18 4.20 0.17 3.14 1.01 -1.26 -0.98 121.20 127.65 3bdm s ILE 26 Ca 0.19 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 3bdm s ILE 26 Cb -0.14 -4.86 0.07 0.00 0.01 0.00 0.00 42.46 37.53 3bdm s ILE 26 CO 0.07 -1.69 1.71 0.00 0.00 0.00 0.00 174.94 175.03 3bdm h ALA 27 N 9.53 0.40 -3.49 9.38 0.00 -1.26 -3.41 119.26 130.41 3bdm h ALA 27 Ca -0.03 0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.63 3bdm h ALA 27 Cb 1.04 0.16 -0.34 0.00 0.00 0.00 0.00 17.79 18.64 3bdm h ALA 27 CO 1.25 -0.36 -0.75 1.21 0.00 0.00 0.00 179.25 180.60 3bdm s ASN 28 N -5.28 0.55 -0.00 0.00 3.84 -0.80 -5.02 114.94 108.23 3bdm s ASN 28 Ca -0.13 -0.05 0.19 0.00 0.21 0.00 0.00 52.86 53.08 3bdm s ASN 28 Cb 0.14 -0.28 -0.22 0.00 -0.55 0.00 0.00 41.25 40.33 3bdm s ASN 28 CO 0.71 -0.09 0.78 -2.11 -2.79 0.00 0.00 177.10 173.60 3bdm n ARG 29 N 4.10 0.58 -1.27 0.43 1.85 -1.26 -1.65 116.66 119.45 3bdm n ARG 29 Ca -0.26 -0.02 -0.10 0.00 -1.00 0.00 0.00 57.85 56.47 3bdm n ARG 29 Cb 0.50 -1.43 0.12 0.00 -1.05 0.00 0.00 32.46 30.61 3bdm n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3bdm n VAL 30 N -1.55 2.44 -1.42 8.89 0.24 -1.18 -4.34 118.33 121.41 3bdm n VAL 30 Ca 0.03 -3.60 -0.34 0.00 -2.04 0.00 0.00 64.34 58.38 3bdm n VAL 30 Cb 0.33 -0.67 0.09 0.00 -1.47 0.00 0.00 33.84 32.12 3bdm n VAL 30 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3bdm s THR 31 N -3.89 2.36 -0.37 3.34 2.01 -0.07 -5.02 115.64 114.00 3bdm s THR 31 Ca 0.45 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.66 3bdm s THR 31 Cb 0.40 -2.72 0.10 0.00 0.01 0.00 0.00 72.50 70.29 3bdm s THR 31 CO -0.01 -0.10 0.09 -0.62 -0.69 0.00 0.00 174.62 173.29 3bdm s ASP 32 N -2.10 4.72 -0.01 3.53 3.68 -1.26 -4.43 116.67 120.80 3bdm s ASP 32 Ca 0.73 -2.28 0.11 0.00 2.13 0.00 0.00 52.55 53.24 3bdm s ASP 32 Cb -0.28 -1.64 0.33 0.00 -1.45 0.00 0.00 42.92 39.88 3bdm s ASP 32 CO 0.46 -0.36 1.26 0.29 0.13 0.00 0.00 175.17 176.95 3bdm n LYS 33 N 4.09 1.91 -3.53 4.34 5.02 -1.26 -4.69 118.16 124.03 3bdm n LYS 33 Ca 0.04 -1.33 -0.41 0.00 -2.02 0.00 0.00 58.31 54.58 3bdm n LYS 33 Cb 0.41 -1.32 -0.09 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.02 5.56 -0.09 -0.35 1.43 -1.26 -1.53 118.68 121.42 3bdm s LEU 34 Ca 0.25 -1.72 -0.02 0.00 -1.03 0.00 0.00 54.13 51.60 3bdm s LEU 34 Cb 0.13 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3bdm s LEU 34 CO 0.16 -0.66 0.01 -0.89 0.23 0.00 0.00 176.35 175.21 3bdm s THR 35 N 1.43 4.40 -0.24 5.49 2.01 -0.61 -4.96 115.64 123.16 3bdm s THR 35 Ca 0.04 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 61.65 3bdm s THR 35 Cb -0.25 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 3bdm s THR 35 CO 0.01 0.61 0.49 -0.60 -0.69 0.00 0.00 174.62 174.44 3bdm s ARG 36 N -0.89 4.10 -0.01 4.92 3.52 -1.26 -0.65 118.95 128.67 3bdm s ARG 36 Ca 0.13 0.30 0.13 0.00 -0.13 0.00 0.00 55.73 56.16 3bdm s ARG 36 Cb -0.11 -3.62 -0.19 0.00 -1.56 0.00 0.00 34.95 29.46 3bdm s ARG 36 CO 0.02 -0.27 0.33 1.33 -0.81 0.00 0.00 175.30 175.90 3bdm n VAL 37 N 4.96 0.00 -3.89 7.11 0.24 -0.79 -4.95 118.33 121.01 3bdm n VAL 37 Ca -0.05 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 3bdm n VAL 37 Cb 0.50 0.35 0.01 0.00 -1.47 0.00 0.00 33.84 33.23 3bdm n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3bdm s HIS 38 N -2.77 0.40 0.13 6.34 5.65 -0.72 -4.63 115.29 119.69 3bdm s HIS 38 Ca -0.03 -0.95 -0.23 0.00 0.25 0.00 0.00 55.06 54.10 3bdm s HIS 38 Cb 0.09 0.57 -0.02 0.00 -1.18 0.00 0.00 32.58 32.04 3bdm s HIS 38 CO 0.54 -1.45 1.65 -0.44 -0.65 0.00 0.00 174.74 174.39 3bdm h ASP 39 N 2.03 -0.60 -0.38 9.88 3.32 -2.00 -3.23 116.42 125.44 3bdm h ASP 39 Ca -0.31 0.10 -0.29 0.00 0.02 0.00 0.00 57.03 56.55 3bdm h ASP 39 Cb 1.25 0.27 -0.28 0.00 0.22 0.00 0.00 39.33 40.79 3bdm h ASP 39 CO 0.40 -0.25 -0.77 0.29 -1.72 0.00 0.00 179.24 177.19 3bdm n LYS 40 N -5.33 2.32 -3.85 3.56 5.02 -1.26 -4.94 118.16 113.68 3bdm n LYS 40 Ca -0.03 -3.57 -0.27 0.00 -2.02 0.00 0.00 58.31 52.41 3bdm n LYS 40 Cb 0.25 -1.74 -0.17 0.00 -0.02 0.00 0.00 35.03 33.35 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 -3.57 0.89 0.43 -0.18 1.09 -1.22 -0.02 121.20 118.63 3bdm s ILE 41 Ca 0.42 -0.46 0.03 0.00 -1.10 0.00 0.00 60.65 59.54 3bdm s ILE 41 Cb 0.38 -1.10 -0.03 0.00 -1.06 0.00 0.00 42.46 40.65 3bdm s ILE 41 CO -0.03 0.12 0.07 0.26 -0.10 0.00 0.00 174.94 175.26 3bdm s TRP 42 N 1.73 1.89 0.08 3.97 0.52 0.55 -1.76 118.94 125.92 3bdm s TRP 42 Ca 0.02 -1.08 -0.07 0.00 0.02 0.00 0.00 56.10 54.98 3bdm s TRP 42 Cb -0.15 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.78 3bdm s TRP 42 CO -0.07 -0.02 0.15 0.00 0.02 0.00 0.00 176.95 177.03 3bdm s ARG 45 N 0.69 3.92 0.06 0.00 0.52 -0.59 -1.79 118.95 121.76 3bdm s ARG 45 Ca -0.03 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 54.83 3bdm s ARG 45 Cb -0.15 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 3bdm s ARG 45 CO 0.02 0.13 -0.06 -1.54 0.02 0.00 0.00 175.30 173.86 3bdm s SER 46 N 0.79 0.87 0.00 0.23 1.04 -0.61 -4.91 113.70 111.10 3bdm s SER 46 Ca 0.04 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3bdm s SER 46 Cb -0.13 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3bdm s SER 46 CO 0.02 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3bdm n GLY 47 N 0.78 -0.51 3.73 7.32 0.00 -1.26 -0.42 105.19 114.83 3bdm n GLY 47 Ca -0.18 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3bdm n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bdm s SER 48 N -4.00 6.47 0.06 1.61 0.15 0.27 -4.91 113.70 113.35 3bdm s SER 48 Ca 0.00 2.80 -0.23 0.00 0.70 0.00 0.00 55.95 59.22 3bdm s SER 48 Cb 0.00 -2.61 -0.15 0.00 -1.71 0.00 0.00 66.02 61.55 3bdm s SER 48 CO 0.00 -0.88 1.57 0.00 1.20 0.00 0.00 173.24 175.14 3bdm h ALA 49 N 5.95 0.08 -0.91 5.45 0.00 -1.93 -0.42 119.26 127.47 3bdm h ALA 49 Ca -0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3bdm h ALA 49 Cb 1.21 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3bdm h ALA 49 CO 0.87 -0.32 0.57 0.00 0.00 0.00 0.00 179.25 180.36 3bdm h ALA 50 N 0.84 1.16 -0.11 0.00 0.00 -1.97 -0.08 119.26 119.10 3bdm h ALA 50 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3bdm h ALA 50 Cb 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3bdm h ALA 50 CO -0.00 0.60 -0.01 -0.44 0.00 0.00 0.00 179.25 179.40 3bdm h ASP 51 N 1.25 0.20 -0.49 0.00 3.32 -1.83 -1.83 116.42 117.04 3bdm h ASP 51 Ca 0.33 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3bdm h ASP 51 Cb -0.08 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3bdm h ASP 51 CO -0.06 0.48 -0.16 0.71 -1.72 0.00 0.00 179.24 178.49 3bdm h THR 52 N -0.09 1.27 -0.39 0.35 1.35 -0.92 -1.33 112.91 113.15 3bdm h THR 52 Ca 0.03 -1.32 -0.01 0.00 -0.55 0.00 0.00 66.41 64.56 3bdm h THR 52 Cb 0.39 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 3bdm h THR 52 CO 0.01 0.46 0.20 1.56 -0.25 0.00 0.00 175.52 177.50 3bdm h GLN 53 N 0.87 0.56 -0.54 4.72 4.20 -1.03 0.12 115.11 124.01 3bdm h GLN 53 Ca 0.13 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3bdm h GLN 53 Cb 0.73 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 3bdm h GLN 53 CO 0.06 0.48 0.27 0.00 -0.67 0.00 0.00 178.83 178.97 3bdm h ALA 54 N 1.05 0.70 -0.59 3.87 0.00 -1.23 0.30 119.26 123.36 3bdm h ALA 54 Ca 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3bdm h ALA 54 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3bdm h ALA 54 CO -0.02 0.25 0.15 0.82 0.00 0.00 0.00 179.25 180.44 3bdm h ILE 55 N 0.73 1.25 0.27 0.00 5.03 -0.96 -2.29 117.51 121.54 3bdm h ILE 55 Ca 0.19 -0.90 -0.01 0.00 -0.12 0.00 0.00 64.86 64.01 3bdm h ILE 55 Cb 0.10 0.70 0.00 0.00 -3.03 0.00 0.00 36.82 34.59 3bdm h ILE 55 CO -0.03 0.34 -0.13 0.00 -0.68 0.00 0.00 178.15 177.65 3bdm h ALA 56 N 1.04 -0.37 -0.81 1.87 0.00 -0.42 -1.02 119.26 119.54 3bdm h ALA 56 Ca 0.19 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.16 3bdm h ALA 56 Cb 0.35 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3bdm h ALA 56 CO 0.00 -0.68 0.54 -0.44 0.00 0.00 0.00 179.25 178.67 3bdm h ASP 57 N -0.42 0.46 -0.12 0.00 3.45 -0.85 -0.37 116.42 118.56 3bdm h ASP 57 Ca -0.04 0.03 -0.18 0.00 0.43 0.00 0.00 57.03 57.27 3bdm h ASP 57 Cb 0.32 -0.06 0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3bdm h ASP 57 CO 0.06 0.23 -0.64 0.40 -1.57 0.00 0.00 179.24 177.72 3bdm h ILE 58 N 0.48 1.32 -0.74 0.35 1.08 -1.00 -2.57 117.51 116.43 3bdm h ILE 58 Ca 0.41 -1.90 -0.03 0.00 -0.39 0.00 0.00 64.86 62.95 3bdm h ILE 58 Cb 0.88 2.11 -0.03 0.00 -3.07 0.00 0.00 36.82 36.70 3bdm h ILE 58 CO -0.15 0.59 0.34 0.58 -0.69 0.00 0.00 178.15 178.82 3bdm h VAL 59 N 0.31 1.24 -0.69 1.67 2.07 -0.15 -0.78 116.25 119.92 3bdm h VAL 59 Ca -0.04 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3bdm h VAL 59 Cb 1.28 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3bdm h VAL 59 CO 0.13 0.29 0.45 -0.61 0.02 0.00 0.00 177.57 177.85 3bdm h GLN 60 N 1.05 0.92 0.06 1.57 4.15 -1.12 0.77 115.11 122.51 3bdm h GLN 60 Ca 0.25 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3bdm h GLN 60 Cb 0.14 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3bdm h GLN 60 CO -0.03 0.62 -0.03 -0.92 -1.93 0.00 0.00 178.83 176.54 3bdm h TYR 61 N 0.94 -0.08 -0.98 3.99 3.20 -1.02 -0.97 116.97 122.05 3bdm h TYR 61 Ca 0.25 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.17 3bdm h TYR 61 Cb -0.09 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 3bdm h TYR 61 CO -0.02 -0.02 0.64 0.45 -1.64 0.00 0.00 178.16 177.57 3bdm h HIS 62 N -0.12 1.18 -0.03 -3.82 3.86 -0.62 -1.99 115.15 113.61 3bdm h HIS 62 Ca -0.01 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.08 3bdm h HIS 62 Cb 0.10 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3bdm h HIS 62 CO -0.06 0.64 -0.69 -0.07 0.86 0.00 0.00 177.93 178.61 3bdm h LEU 63 N 1.19 0.17 -0.86 2.43 3.38 -0.70 0.92 115.31 121.83 3bdm h LEU 63 Ca 0.41 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 3bdm h LEU 63 Cb 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3bdm h LEU 63 CO -0.15 0.80 0.01 -0.08 0.09 0.00 0.00 178.44 179.11 3bdm h GLU 64 N 0.10 0.85 -0.04 1.13 4.81 -0.67 -1.29 114.58 119.48 3bdm h GLU 64 Ca -0.01 -0.23 -0.24 0.00 -0.13 0.00 0.00 59.36 58.74 3bdm h GLU 64 Cb 1.22 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.52 3bdm h GLU 64 CO 0.10 0.85 -0.94 1.25 -0.73 0.00 0.00 179.01 179.54 3bdm h LEU 65 N 0.80 0.82 -0.40 1.64 5.85 -1.20 -2.82 115.31 120.00 3bdm h LEU 65 Ca 0.15 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.31 3bdm h LEU 65 Cb 0.46 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3bdm h LEU 65 CO 0.02 1.42 0.09 0.22 -0.34 0.00 0.00 178.44 179.84 3bdm h TYR 66 N 0.39 0.14 0.07 1.25 3.20 -0.52 -2.72 116.97 118.78 3bdm h TYR 66 Ca -0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 3bdm h TYR 66 Cb 1.58 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.84 3bdm h TYR 66 CO 0.09 0.02 -0.06 1.15 -1.64 0.00 0.00 178.16 177.71 3bdm h THR 67 N 0.22 0.00 -0.59 1.81 2.02 -1.24 0.32 112.91 115.45 3bdm h THR 67 Ca 0.19 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.55 3bdm h THR 67 Cb 0.22 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.53 3bdm h THR 67 CO -0.24 0.00 0.09 -1.20 0.37 0.00 0.00 175.52 174.54 3bdm n SER 68 N -2.66 0.00 -0.05 4.18 7.64 -1.07 0.31 113.62 121.97 3bdm n SER 68 Ca -0.02 0.99 -0.21 0.00 1.01 0.00 0.00 58.87 60.64 3bdm n SER 68 Cb 0.06 -0.39 -0.13 0.00 -1.01 0.00 0.00 64.21 62.74 3bdm n SER 68 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3bdm h GLN 69 N 0.00 0.12 -0.03 1.43 4.20 -1.21 -3.42 115.11 116.19 3bdm h GLN 69 Ca 0.39 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3bdm h GLN 69 Cb 0.88 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.74 3bdm h GLN 69 CO -0.53 1.10 0.00 0.66 -0.67 0.00 0.00 178.83 179.39 3bdm n TYR 70 N -4.11 0.08 -3.77 2.96 4.02 0.11 -5.12 117.16 111.33 3bdm n TYR 70 Ca -0.29 -0.73 0.00 0.00 -0.01 0.00 0.00 57.90 56.87 3bdm n TYR 70 Cb 0.80 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 40.02 3bdm n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bdm n GLY 72 N -0.84 -1.85 3.71 2.72 0.00 0.15 -4.89 105.19 104.20 3bdm n GLY 72 Ca 0.08 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 3bdm n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bdm s THR 73 N 0.00 2.10 0.39 2.61 2.01 -1.26 -3.54 115.64 117.95 3bdm s THR 73 Ca 0.00 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3bdm s THR 73 Cb 0.00 -3.00 -0.07 0.00 0.01 0.00 0.00 72.50 69.44 3bdm s THR 73 CO 0.00 0.00 0.77 -2.16 -0.69 0.00 0.00 174.62 172.54 3bdm s PRO 74 N 1.48 3.82 0.67 4.92 0.04 -1.26 -5.03 135.00 139.64 3bdm s PRO 74 Ca 0.76 0.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.23 3bdm s PRO 74 Cb -0.49 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 31.68 3bdm s PRO 74 CO 0.33 -0.01 1.01 -1.54 0.04 0.00 0.00 177.00 176.84 3bdm s SER 75 N -3.00 5.30 0.21 6.66 1.04 -1.26 -4.95 113.70 117.70 3bdm s SER 75 Ca 0.52 0.82 -0.04 0.00 0.48 0.00 0.00 55.95 57.73 3bdm s SER 75 Cb -0.10 -1.63 0.19 0.00 0.10 0.00 0.00 66.02 64.57 3bdm s SER 75 CO 0.29 -1.33 1.62 0.74 0.98 0.00 0.00 173.24 175.53 3bdm h THR 76 N -0.50 1.28 -0.54 2.02 2.02 -1.94 -2.24 112.91 113.00 3bdm h THR 76 Ca -0.45 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.34 3bdm h THR 76 Cb 1.27 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 3bdm h THR 76 CO 0.62 0.46 0.36 -0.08 0.37 0.00 0.00 175.52 177.25 3bdm h GLU 77 N 0.62 0.72 -0.08 6.66 4.81 -1.98 -1.33 114.58 124.00 3bdm h GLU 77 Ca 0.08 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3bdm h GLU 77 Cb 0.78 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 3bdm h GLU 77 CO 0.06 0.48 -0.03 1.15 -0.73 0.00 0.00 179.01 179.94 3bdm h THR 78 N 0.74 1.31 -0.63 0.32 2.02 -1.79 -1.23 112.91 113.65 3bdm h THR 78 Ca 0.20 -0.99 0.08 0.00 0.77 0.00 0.00 66.41 66.47 3bdm h THR 78 Cb -0.08 1.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 3bdm h THR 78 CO -0.04 0.28 0.42 0.00 0.37 0.00 0.00 175.52 176.54 3bdm h ALA 79 N 0.66 1.86 -0.38 6.16 0.00 -1.04 0.20 119.26 126.72 3bdm h ALA 79 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3bdm h ALA 79 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3bdm h ALA 79 CO 0.01 0.02 -0.27 0.00 0.00 0.00 0.00 179.25 179.01 3bdm h ALA 80 N 1.67 0.81 -0.55 0.00 0.00 -0.99 -2.68 119.26 117.52 3bdm h ALA 80 Ca 0.28 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3bdm h ALA 80 Cb 0.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3bdm h ALA 80 CO -0.09 0.65 0.30 1.03 0.00 0.00 0.00 179.25 181.14 3bdm h SER 81 N 0.68 0.69 -0.62 0.00 0.87 0.60 0.10 113.55 115.87 3bdm h SER 81 Ca 0.08 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 3bdm h SER 81 Cb 0.80 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 3bdm h SER 81 CO 0.07 0.58 0.15 0.58 -0.53 0.00 0.00 176.83 177.67 3bdm h VAL 82 N 0.74 1.25 0.44 2.23 2.07 -1.22 0.19 116.25 121.95 3bdm h VAL 82 Ca 0.19 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 3bdm h VAL 82 Cb 0.05 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3bdm h VAL 82 CO -0.03 0.35 -0.21 -0.26 0.02 0.00 0.00 177.57 177.43 3bdm h PHE 83 N 0.91 -0.55 -0.79 1.57 0.04 -1.21 -1.41 116.94 115.50 3bdm h PHE 83 Ca 0.19 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.08 3bdm h PHE 83 Cb 0.36 0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.64 3bdm h PHE 83 CO 0.03 -0.31 0.52 -0.22 -0.60 0.00 0.00 178.31 177.72 3bdm h LYS 84 N -0.65 0.57 -0.10 1.51 3.11 -0.59 0.05 116.57 120.46 3bdm h LYS 84 Ca -0.06 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.72 3bdm h LYS 84 Cb 0.49 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.59 3bdm h LYS 84 CO 0.10 0.38 -0.01 1.49 -2.81 0.00 0.00 179.45 178.59 3bdm h GLU 85 N 0.59 0.19 -0.13 1.90 4.57 -0.24 -0.52 114.58 120.94 3bdm h GLU 85 Ca 0.38 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3bdm h GLU 85 Cb 0.67 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 3bdm h GLU 85 CO -0.15 0.48 0.07 -0.07 -1.18 0.00 0.00 179.01 178.16 3bdm h LEU 86 N -0.11 0.17 -0.97 1.64 3.38 -0.52 -2.11 115.31 116.79 3bdm h LEU 86 Ca 0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3bdm h LEU 86 Cb 0.40 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3bdm h LEU 86 CO 0.01 0.23 0.35 0.00 0.09 0.00 0.00 178.44 179.11 3bdm h TYR 88 N 1.07 0.11 -0.04 0.00 5.03 -1.08 -2.55 116.97 119.53 3bdm h TYR 88 Ca 0.26 -0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.52 3bdm h TYR 88 Cb 0.13 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.40 3bdm h TYR 88 CO 0.01 0.87 0.04 1.49 -1.32 0.00 0.00 178.16 179.25 3bdm h GLU 89 N -0.68 0.00 -0.07 1.82 4.57 -1.40 -2.52 114.58 116.31 3bdm h GLU 89 Ca -0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3bdm h GLU 89 Cb 0.90 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 3bdm h GLU 89 CO 0.02 0.00 -0.18 0.09 -1.18 0.00 0.00 179.01 177.76 3bdm n ASN 90 N -4.12 2.30 -0.35 1.04 3.02 -0.88 -4.82 115.26 111.46 3bdm n ASN 90 Ca -0.02 -3.46 0.26 0.00 -0.03 0.00 0.00 54.58 51.33 3bdm n ASN 90 Cb 0.13 -0.50 0.54 0.00 -0.61 0.00 0.00 39.78 39.34 3bdm n ASN 90 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3bdm h LYS 91 N 0.67 0.31 0.00 3.52 2.10 -1.00 -0.80 116.57 121.37 3bdm h LYS 91 Ca 0.03 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3bdm h LYS 91 Cb 1.13 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3bdm h LYS 91 CO 0.07 0.21 0.00 -0.25 -2.00 0.00 0.00 179.45 177.48 3bdm n ASP 92 N -4.65 0.00 -0.52 7.07 10.43 -1.26 -3.14 116.55 124.47 3bdm n ASP 92 Ca 0.28 0.01 0.03 0.00 2.57 0.00 0.00 54.79 57.67 3bdm n ASP 92 Cb 1.00 -0.28 0.04 0.00 1.84 0.00 0.00 41.12 43.71 3bdm n ASP 92 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3bdm n ASN 94 N -1.28 0.64 -4.06 -2.24 3.02 -0.32 -5.07 115.26 105.95 3bdm n ASN 94 Ca 0.09 -2.29 -0.17 0.00 -0.03 0.00 0.00 54.58 52.19 3bdm n ASN 94 Cb 0.15 -0.27 -0.13 0.00 -0.61 0.00 0.00 39.78 38.92 3bdm n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bdm s LEU 95 N -0.69 2.13 -0.49 3.41 1.43 -1.11 -5.05 118.68 118.30 3bdm s LEU 95 Ca 0.11 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 3bdm s LEU 95 Cb 0.11 -0.38 0.16 0.00 0.03 0.00 0.00 46.19 46.12 3bdm s LEU 95 CO -0.01 -0.01 0.36 -0.89 0.23 0.00 0.00 176.35 176.02 3bdm s THR 96 N -0.72 1.16 -0.02 5.49 2.01 -1.26 -4.89 115.64 117.40 3bdm s THR 96 Ca -0.01 -3.00 0.00 0.00 0.31 0.00 0.00 61.69 58.99 3bdm s THR 96 Cb -0.06 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 70.69 3bdm s THR 96 CO 0.00 -1.11 0.02 0.00 -0.69 0.00 0.00 174.62 172.84 3bdm s ALA 97 N -0.23 0.19 -0.25 7.40 0.00 -1.26 0.97 121.76 128.57 3bdm s ALA 97 Ca 0.27 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 3bdm s ALA 97 Cb -0.04 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.83 3bdm s ALA 97 CO -0.15 -0.09 -0.07 0.20 0.00 0.00 0.00 175.76 175.65 3bdm s GLY 98 N 1.05 1.63 -0.06 0.00 0.00 0.44 -4.25 107.32 106.14 3bdm s GLY 98 Ca -0.09 -1.54 0.05 0.00 0.00 0.00 0.00 44.72 43.14 3bdm s GLY 98 CO -0.02 0.54 -0.22 -0.42 0.00 0.00 0.00 173.10 172.98 3bdm s ILE 99 N 1.27 2.31 -0.21 0.90 -1.09 -0.31 -1.58 121.20 122.51 3bdm s ILE 99 Ca -0.02 -0.98 -0.04 0.00 -2.23 0.00 0.00 60.65 57.39 3bdm s ILE 99 Cb -0.17 -1.86 -0.01 0.00 -1.58 0.00 0.00 42.46 38.83 3bdm s ILE 99 CO -0.05 0.57 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.56 3bdm s ILE 100 N -0.26 3.46 -0.21 2.92 1.01 -0.74 0.54 121.20 127.93 3bdm s ILE 100 Ca -0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 3bdm s ILE 100 Cb -0.13 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3bdm s ILE 100 CO 0.03 0.44 0.02 -0.69 0.00 0.00 0.00 174.94 174.74 3bdm s VAL 101 N 1.25 4.15 -0.02 2.92 1.01 0.36 -0.23 120.40 129.84 3bdm s VAL 101 Ca 0.03 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3bdm s VAL 101 Cb -0.14 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3bdm s VAL 101 CO -0.01 0.42 -0.09 0.00 0.00 0.00 0.00 175.10 175.42 3bdm s ALA 102 N 1.01 0.81 0.07 5.51 0.00 -0.51 0.55 121.76 129.20 3bdm s ALA 102 Ca 0.02 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 3bdm s ALA 102 Cb -0.14 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3bdm s ALA 102 CO 0.02 0.14 0.28 0.20 0.00 0.00 0.00 175.76 176.40 3bdm s GLY 103 N 0.14 -0.07 -0.19 0.00 0.00 -0.83 -0.33 107.32 106.04 3bdm s GLY 103 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 44.72 44.43 3bdm s GLY 103 CO 0.00 -0.44 -0.03 -0.47 0.00 0.00 0.00 173.10 172.17 3bdm s TYR 104 N -3.20 3.00 0.29 1.90 6.14 0.98 -2.00 117.35 124.45 3bdm s TYR 104 Ca -0.00 -0.57 0.09 0.00 0.64 0.00 0.00 57.07 57.23 3bdm s TYR 104 Cb 0.01 -2.05 -0.05 0.00 0.42 0.00 0.00 41.96 40.30 3bdm s TYR 104 CO -0.07 -0.29 0.00 0.34 0.64 0.00 0.00 175.55 176.17 3bdm s ASP 105 N 0.98 4.43 0.02 4.32 2.15 0.80 -4.83 116.67 124.54 3bdm s ASP 105 Ca 0.01 -0.75 0.14 0.00 0.43 0.00 0.00 52.55 52.38 3bdm s ASP 105 Cb -0.14 -0.74 -0.18 0.00 -0.30 0.00 0.00 42.92 41.56 3bdm s ASP 105 CO 0.01 -0.07 0.78 -0.78 -0.17 0.00 0.00 175.17 174.94 3bdm h ASP 10 N 1.86 0.00 0.17 -0.34 3.58 -1.99 -2.09 116.42 117.61 3bdm h ASP 10 Ca -0.44 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.66 3bdm h ASP 10 Cb 1.25 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.27 3bdm h ASP 10 CO 0.62 0.79 -2.02 1.17 -2.88 0.00 0.00 179.24 176.92 3bdm n LYS 10 N -2.99 0.73 0.00 0.28 0.00 -1.26 -4.34 118.16 110.58 3bdm n LYS 10 Ca -0.12 0.25 0.10 0.00 0.00 0.00 0.00 58.31 58.54 3bdm n LYS 10 Cb 0.94 -1.70 -0.05 0.00 0.00 0.00 0.00 35.03 34.22 3bdm n LYS 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3bdm n ASN 106 N -3.37 0.94 0.00 3.14 3.02 -1.26 -5.04 115.26 112.69 3bdm n ASN 106 Ca -0.31 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3bdm n ASN 106 Cb 1.05 0.86 0.00 0.00 -0.61 0.00 0.00 39.78 41.07 3bdm n ASN 106 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3bdm n LYS 107 N -1.46 0.00 -4.56 3.52 4.81 -0.78 -4.67 118.16 115.02 3bdm n LYS 107 Ca 0.04 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.14 3bdm n LYS 107 Cb 0.33 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.27 3bdm n LYS 107 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3bdm s GLY 108 N 0.00 1.72 0.01 3.14 0.00 -1.25 -0.14 107.32 110.80 3bdm s GLY 108 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.86 3bdm s GLY 108 CO 0.00 -0.59 -0.04 -0.54 0.00 0.00 0.00 173.10 171.94 3bdm s GLU 109 N -0.70 0.29 -0.06 2.90 2.02 -0.85 -4.94 118.70 117.36 3bdm s GLU 109 Ca 0.11 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.79 3bdm s GLU 109 Cb -0.11 -0.16 0.02 0.00 0.10 0.00 0.00 34.13 33.98 3bdm s GLU 109 CO 0.02 0.03 -0.06 0.08 0.02 0.00 0.00 175.26 175.36 3bdm s VAL 110 N -0.57 0.66 -0.05 2.63 1.01 -1.25 -1.97 120.40 120.86 3bdm s VAL 110 Ca -0.04 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3bdm s VAL 110 Cb -0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3bdm s VAL 110 CO -0.00 0.26 -0.21 -0.31 0.00 0.00 0.00 175.10 174.85 3bdm s TYR 111 N 1.06 2.02 -0.08 5.22 1.51 0.19 -1.07 117.35 126.21 3bdm s TYR 111 Ca -0.08 -0.57 0.04 0.00 -1.01 0.00 0.00 57.07 55.44 3bdm s TYR 111 Cb -0.14 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.35 3bdm s TYR 111 CO -0.01 -0.18 -0.20 -0.08 -1.11 0.00 0.00 175.55 173.98 3bdm s THR 112 N -0.09 2.52 -0.37 -0.71 -1.32 0.25 0.14 115.64 116.06 3bdm s THR 112 Ca -0.03 -0.89 0.03 0.00 -1.21 0.00 0.00 61.69 59.59 3bdm s THR 112 Cb -0.12 -1.98 0.10 0.00 -1.51 0.00 0.00 72.50 69.00 3bdm s THR 112 CO 0.03 0.56 0.09 -0.63 -2.21 0.00 0.00 174.62 172.46 3bdm s ILE 113 N -0.11 2.46 0.95 5.08 1.01 0.19 -0.90 121.20 129.89 3bdm s ILE 113 Ca -0.04 -2.39 -0.14 0.00 0.00 0.00 0.00 60.65 58.08 3bdm s ILE 113 Cb -0.14 -2.79 0.17 0.00 0.01 0.00 0.00 42.46 39.71 3bdm s ILE 113 CO 0.04 -0.63 1.19 -2.16 0.00 0.00 0.00 174.94 173.38 3bdm s PRO 114 N 0.84 0.76 0.37 2.79 0.04 -1.24 -1.16 135.00 137.40 3bdm s PRO 114 Ca 0.11 -0.00 0.16 0.00 0.04 0.00 0.00 61.00 61.31 3bdm s PRO 114 Cb -0.20 -1.82 1.08 0.00 0.04 0.00 0.00 34.50 33.59 3bdm s PRO 114 CO -0.07 -2.40 1.72 -0.07 0.04 0.00 0.00 177.00 176.22 3bdm h LEU 115 N -1.64 0.51 -1.79 -3.56 4.07 -1.94 -0.63 115.31 110.32 3bdm h LEU 115 Ca -0.47 0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.59 3bdm h LEU 115 Cb 1.30 0.06 -0.00 0.00 1.08 0.00 0.00 40.66 43.09 3bdm h LEU 115 CO 0.51 0.01 -0.12 1.23 -1.08 0.00 0.00 178.44 178.99 3bdm h GLY 116 N 0.40 0.00 0.00 0.83 0.00 -1.92 -3.46 103.07 98.91 3bdm h GLY 116 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3bdm h GLY 116 CO -0.43 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.72 3bdm n GLY 117 N -1.16 1.15 3.90 4.60 0.00 -0.24 -4.62 105.19 108.81 3bdm n GLY 117 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 5.66 -0.01 1.61 1.04 -1.26 -4.31 113.70 114.42 3bdm s SER 118 Ca 0.00 0.89 0.08 0.00 0.48 0.00 0.00 55.95 57.40 3bdm s SER 118 Cb 0.00 -1.86 -0.02 0.00 0.10 0.00 0.00 66.02 64.23 3bdm s SER 118 CO 0.00 -1.08 -0.25 -0.69 0.98 0.00 0.00 173.24 172.20 3bdm s VAL 119 N -3.08 2.14 -0.05 5.02 1.01 -1.26 -3.70 120.40 120.49 3bdm s VAL 119 Ca 0.54 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3bdm s VAL 119 Cb -0.11 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.55 3bdm s VAL 119 CO 0.47 0.55 0.02 -1.00 0.00 0.00 0.00 175.10 175.15 3bdm s HIS 120 N -0.65 0.33 -0.19 5.22 3.76 -0.08 -4.96 115.29 118.73 3bdm s HIS 120 Ca 0.10 0.04 -0.13 0.00 -0.15 0.00 0.00 55.06 54.93 3bdm s HIS 120 Cb -0.10 -0.57 -0.05 0.00 1.11 0.00 0.00 32.58 32.98 3bdm s HIS 120 CO -0.00 -0.22 0.26 0.21 -0.85 0.00 0.00 174.74 174.13 3bdm s LYS 121 N 1.79 4.20 0.22 1.40 2.20 -1.26 0.84 119.74 129.13 3bdm s LYS 121 Ca 0.01 -0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 55.51 3bdm s LYS 121 Cb -0.12 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 3bdm s LYS 121 CO -0.03 0.17 0.39 -0.51 -0.36 0.00 0.00 175.35 175.01 3bdm s LEU 122 N 0.69 0.56 0.37 5.43 1.43 -0.23 -5.01 118.68 121.93 3bdm s LEU 122 Ca 0.14 -0.95 0.09 0.00 -1.03 0.00 0.00 54.13 52.38 3bdm s LEU 122 Cb -0.13 1.47 0.72 0.00 0.03 0.00 0.00 46.19 48.28 3bdm s LEU 122 CO 0.03 -1.04 1.87 -0.65 0.23 0.00 0.00 176.35 176.80 3bdm h PRO 123 N 2.37 0.22 -2.36 1.29 0.11 -1.95 -3.33 132.00 128.35 3bdm h PRO 123 Ca -0.29 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.84 3bdm h PRO 123 Cb 1.25 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 3bdm h PRO 123 CO 0.41 0.42 0.44 1.52 -0.21 0.00 0.00 178.00 180.58 3bdm s TYR 124 N -4.58 -0.39 -0.18 0.65 -0.85 -1.26 -1.43 117.35 109.30 3bdm s TYR 124 Ca -0.05 0.27 -0.17 0.00 -0.52 0.00 0.00 57.07 56.61 3bdm s TYR 124 Cb 0.15 0.53 0.05 0.00 0.38 0.00 0.00 41.96 43.07 3bdm s TYR 124 CO 0.74 -0.59 0.49 0.00 -1.52 0.00 0.00 175.55 174.67 3bdm s ALA 125 N -3.09 -1.20 0.17 9.51 0.00 -0.29 -4.99 121.76 121.87 3bdm s ALA 125 Ca 0.04 1.38 0.09 0.00 0.00 0.00 0.00 51.96 53.47 3bdm s ALA 125 Cb -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 3bdm s ALA 125 CO -0.09 -0.23 -0.14 0.96 0.00 0.00 0.00 175.76 176.26 3bdm s ILE 126 N 0.30 2.97 0.17 0.00 -0.00 -1.26 -1.32 121.20 122.07 3bdm s ILE 126 Ca -0.00 -1.69 -0.23 0.00 -0.00 0.00 0.00 60.65 58.72 3bdm s ILE 126 Cb -0.04 -2.44 0.06 0.00 -0.00 0.00 0.00 42.46 40.04 3bdm s ILE 126 CO 0.00 -0.07 0.72 0.00 -0.00 0.00 0.00 174.94 175.59 3bdm s ALA 127 N -1.58 -1.52 0.00 2.27 0.00 0.15 -4.96 121.76 116.12 3bdm s ALA 127 Ca 0.23 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3bdm s ALA 127 Cb -0.09 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.82 3bdm s ALA 127 CO 0.13 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3bdm n GLY 128 N -0.40 1.89 0.18 0.00 0.00 -1.26 -0.80 105.19 104.81 3bdm n GLY 128 Ca -0.11 -2.02 -0.04 0.00 0.00 0.00 0.00 46.02 43.85 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 0.55 1.61 4.64 -1.14 -1.59 113.55 117.62 3bdm h SER 129 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3bdm h SER 129 Cb 0.00 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3bdm h SER 129 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3bdm n GLY 130 N -1.26 -1.05 0.24 -0.77 0.00 -0.84 -3.40 105.19 98.10 3bdm n GLY 130 Ca 0.04 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3bdm n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bdm h SER 131 N 0.00 0.00 0.17 1.61 4.64 -1.47 -2.92 113.55 115.58 3bdm h SER 131 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3bdm h SER 131 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3bdm h SER 131 CO 0.00 0.17 -0.21 0.71 -0.87 0.00 0.00 176.83 176.63 3bdm h THR 132 N 0.00 1.18 0.00 2.95 1.35 -1.72 -2.65 112.91 114.02 3bdm h THR 132 Ca -0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3bdm h THR 132 Cb 0.33 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3bdm h THR 132 CO 0.02 0.25 0.00 0.49 -0.25 0.00 0.00 175.52 176.03 3bdm n PHE 133 N -4.25 0.89 -1.31 4.73 3.72 -1.10 -3.45 117.46 116.70 3bdm n PHE 133 Ca -0.02 0.29 0.07 0.00 -0.05 0.00 0.00 57.45 57.74 3bdm n PHE 133 Cb 0.29 -0.97 0.18 0.00 -0.94 0.00 0.00 39.48 38.05 3bdm n PHE 133 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3bdm n ILE 134 N -2.26 2.12 -0.01 4.37 -6.64 -1.00 -4.69 119.36 111.25 3bdm n ILE 134 Ca 0.04 -2.66 -0.12 0.00 -1.77 0.00 0.00 62.75 58.24 3bdm n ILE 134 Cb 0.36 -0.25 -0.08 0.00 -1.44 0.00 0.00 39.64 38.23 3bdm n ILE 134 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 3bdm h TYR 135 N 0.65 0.09 -0.52 4.28 0.05 -1.57 -2.05 116.97 117.90 3bdm h TYR 135 Ca 0.03 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 3bdm h TYR 135 Cb 1.12 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 3bdm h TYR 135 CO 0.45 0.40 0.00 0.78 -1.05 0.00 0.00 178.16 178.74 3bdm h GLY 136 N -0.24 0.94 0.71 3.88 0.00 -1.85 -2.18 103.07 104.33 3bdm h GLY 136 Ca 0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3bdm h GLY 136 CO 0.00 0.60 -0.12 -1.82 0.00 0.00 0.00 176.54 175.20 3bdm h TYR 137 N 0.81 -0.31 -0.98 5.60 3.20 -1.85 -2.66 116.97 120.79 3bdm h TYR 137 Ca 0.15 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3bdm h TYR 137 Cb 0.48 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 3bdm h TYR 137 CO 0.03 -0.00 0.62 0.00 -1.64 0.00 0.00 178.16 177.17 3bdm h ASP 139 N 1.33 0.25 0.82 0.00 1.82 -1.40 0.18 116.42 119.42 3bdm h ASP 139 Ca 0.35 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 3bdm h ASP 139 Cb -0.12 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 39.83 3bdm h ASP 139 CO -0.07 0.37 -0.47 0.29 -1.61 0.00 0.00 179.24 177.74 3bdm n LYS 140 N -4.31 0.17 -0.00 0.28 4.76 -0.74 -4.34 118.16 113.98 3bdm n LYS 140 Ca -0.00 0.06 0.03 0.00 -2.87 0.00 0.00 58.31 55.52 3bdm n LYS 140 Cb 0.24 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 31.77 3bdm n LYS 140 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3bdm n ASN 141 N -1.87 3.57 -4.77 4.39 4.13 -0.36 -5.02 115.26 115.32 3bdm n ASN 141 Ca 0.05 -0.03 -0.37 0.00 1.68 0.00 0.00 54.58 55.90 3bdm n ASN 141 Cb 0.40 1.23 -0.01 0.00 -1.54 0.00 0.00 39.78 39.86 3bdm n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3bdm s PHE 142 N -2.33 2.91 -0.04 3.10 5.36 0.01 -5.03 117.98 121.96 3bdm s PHE 142 Ca -0.02 1.54 -0.09 0.00 -0.96 0.00 0.00 56.93 57.41 3bdm s PHE 142 Cb 0.03 -3.36 0.02 0.00 -0.34 0.00 0.00 43.02 39.37 3bdm s PHE 142 CO 0.22 -1.44 0.21 1.03 -1.46 0.00 0.00 175.22 173.79 3bdm s ARG 143 N -2.68 0.41 0.44 10.12 0.52 -1.26 -5.00 118.95 121.50 3bdm s ARG 143 Ca 0.63 -0.01 -0.21 0.00 -0.52 0.00 0.00 55.73 55.62 3bdm s ARG 143 Cb -0.28 0.18 -0.10 0.00 0.52 0.00 0.00 34.95 35.27 3bdm s ARG 143 CO 0.34 -0.09 1.00 -1.21 0.02 0.00 0.00 175.30 175.37 3bdm s GLU 144 N -0.63 4.05 -1.37 3.54 2.02 -1.26 -4.10 118.70 120.95 3bdm s GLU 144 Ca -0.07 1.29 -0.05 0.00 0.02 0.00 0.00 54.97 56.16 3bdm s GLU 144 Cb -0.04 -2.23 0.03 0.00 0.10 0.00 0.00 34.13 31.99 3bdm s GLU 144 CO 0.01 -0.20 0.83 0.09 0.02 0.00 0.00 175.26 176.01 3bdm n ASN 145 N -0.64 -2.57 -4.53 -0.19 5.03 -1.26 -4.94 115.26 106.16 3bdm n ASN 145 Ca 0.07 -0.78 -0.29 0.00 0.87 0.00 0.00 54.58 54.45 3bdm n ASN 145 Cb 0.53 -4.12 0.15 0.00 -1.02 0.00 0.00 39.78 35.32 3bdm n ASN 145 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3bdm s MET 146 N -6.16 0.85 0.53 3.52 -1.94 -1.26 -4.20 119.30 110.65 3bdm s MET 146 Ca 0.23 0.06 -0.02 0.00 -1.71 0.00 0.00 55.69 54.25 3bdm s MET 146 Cb -0.11 -1.83 0.01 0.00 2.01 0.00 0.00 34.83 34.91 3bdm s MET 146 CO 0.81 -2.35 0.79 -1.54 -0.01 0.00 0.00 175.02 172.72 3bdm s SER 147 N -4.29 5.57 0.32 3.03 1.04 -1.26 -1.71 113.70 116.40 3bdm s SER 147 Ca 0.67 0.38 0.08 0.00 0.48 0.00 0.00 55.95 57.56 3bdm s SER 147 Cb -0.11 -1.43 0.82 0.00 0.10 0.00 0.00 66.02 65.39 3bdm s SER 147 CO 0.53 -0.97 1.76 0.50 0.98 0.00 0.00 173.24 176.05 3bdm h LYS 148 N 0.08 0.66 -0.09 4.02 3.64 -1.99 0.21 116.57 123.10 3bdm h LYS 148 Ca -0.45 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 58.82 3bdm h LYS 148 Cb 1.27 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3bdm h LYS 148 CO 0.58 0.44 -0.21 0.93 -2.27 0.00 0.00 179.45 178.91 3bdm h GLU 149 N 0.68 0.29 -0.50 1.90 5.08 -1.98 -0.29 114.58 119.75 3bdm h GLU 149 Ca 0.60 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.79 3bdm h GLU 149 Cb 1.04 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 3bdm h GLU 149 CO -0.40 0.81 0.33 0.93 -1.00 0.00 0.00 179.01 179.68 3bdm h GLU 150 N -0.17 0.56 0.08 2.33 5.08 -1.71 -1.06 114.58 119.69 3bdm h GLU 150 Ca -0.00 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 3bdm h GLU 150 Cb 0.81 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.95 3bdm h GLU 150 CO 0.05 0.37 -0.77 1.15 -1.00 0.00 0.00 179.01 178.81 3bdm h THR 151 N 0.58 1.45 0.00 1.13 2.02 -0.95 -1.24 112.91 115.90 3bdm h THR 151 Ca 0.20 -2.32 -0.01 0.00 0.77 0.00 0.00 66.41 65.05 3bdm h THR 151 Cb 0.09 2.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3bdm h THR 151 CO -0.05 0.67 -0.04 0.58 0.37 0.00 0.00 175.52 177.05 3bdm h VAL 152 N -0.18 0.56 0.21 3.16 2.07 -0.67 -1.30 116.25 120.10 3bdm h VAL 152 Ca -0.12 -0.16 -0.32 0.00 0.82 0.00 0.00 66.70 66.93 3bdm h VAL 152 Cb 1.53 1.10 0.03 0.00 -1.52 0.00 0.00 31.29 32.42 3bdm h VAL 152 CO 0.15 0.04 -1.46 0.44 0.02 0.00 0.00 177.57 176.75 3bdm h ASP 153 N 0.00 0.70 -0.38 0.57 3.45 -1.17 -1.91 116.42 117.69 3bdm h ASP 153 Ca -0.00 -0.93 0.03 0.00 0.43 0.00 0.00 57.03 56.57 3bdm h ASP 153 Cb 0.10 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.61 3bdm h ASP 153 CO 0.00 1.69 0.18 0.15 -1.57 0.00 0.00 179.24 179.69 3bdm h PHE 154 N 0.03 0.32 -0.31 4.55 3.57 -0.61 -0.22 116.94 124.27 3bdm h PHE 154 Ca -0.27 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.19 3bdm h PHE 154 Cb 2.05 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 3bdm h PHE 154 CO 0.13 0.16 -0.02 0.82 -2.23 0.00 0.00 178.31 177.17 3bdm h ILE 155 N 0.36 1.27 -0.78 1.41 2.04 -1.36 -0.99 117.51 119.46 3bdm h ILE 155 Ca 0.16 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3bdm h ILE 155 Cb 0.09 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3bdm h ILE 155 CO -0.13 0.32 0.52 0.50 0.00 0.00 0.00 178.15 179.37 3bdm h LYS 156 N 0.35 1.03 0.23 2.37 3.64 -0.96 -0.96 116.57 122.26 3bdm h LYS 156 Ca 0.08 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3bdm h LYS 156 Cb 0.48 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3bdm h LYS 156 CO 0.02 0.68 -0.11 0.45 -2.27 0.00 0.00 179.45 178.22 3bdm h HIS 157 N 1.06 -0.28 -0.67 1.91 3.86 -0.98 -2.38 115.15 117.66 3bdm h HIS 157 Ca 0.29 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.63 3bdm h HIS 157 Cb -0.12 0.09 -0.12 0.00 1.06 0.00 0.00 27.41 28.32 3bdm h HIS 157 CO 0.00 0.06 -0.04 0.77 0.86 0.00 0.00 177.93 179.58 3bdm h SER 158 N -0.96 -0.38 0.55 2.45 0.02 -1.05 -0.68 113.55 113.51 3bdm h SER 158 Ca -0.03 0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3bdm h SER 158 Cb 0.47 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 3bdm h SER 158 CO 0.05 -0.16 -0.61 -0.07 -1.14 0.00 0.00 176.83 174.90 3bdm h LEU 159 N 0.08 0.07 -1.17 5.07 3.38 -1.28 -1.84 115.31 119.62 3bdm h LEU 159 Ca 0.35 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 3bdm h LEU 159 Cb 0.58 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3bdm h LEU 159 CO -0.61 0.66 -0.09 0.77 0.09 0.00 0.00 178.44 179.26 3bdm h SER 160 N 0.04 0.45 -0.00 -0.43 4.64 -0.60 0.55 113.55 118.20 3bdm h SER 160 Ca -0.01 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3bdm h SER 160 Cb 1.08 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3bdm h SER 160 CO 0.08 0.58 -0.01 1.56 -0.87 0.00 0.00 176.83 178.17 3bdm h GLN 161 N 0.44 0.02 -0.55 4.77 1.08 -1.15 -1.68 115.11 118.04 3bdm h GLN 161 Ca 0.09 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.37 3bdm h GLN 161 Cb 0.43 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.78 3bdm h GLN 161 CO 0.02 0.62 0.13 0.00 -0.95 0.00 0.00 178.83 178.65 3bdm h ALA 162 N 0.40 0.64 -0.18 3.87 0.00 -1.05 0.13 119.26 123.07 3bdm h ALA 162 Ca -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3bdm h ALA 162 Cb 0.62 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3bdm h ALA 162 CO 0.00 -0.29 0.02 0.82 0.00 0.00 0.00 179.25 179.80 3bdm h ILE 163 N 0.27 1.11 0.02 0.00 2.04 -0.88 -0.44 117.51 119.63 3bdm h ILE 163 Ca 0.28 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3bdm h ILE 163 Cb 0.39 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3bdm h ILE 163 CO -0.35 0.14 -0.01 0.50 0.00 0.00 0.00 178.15 178.43 3bdm h LYS 164 N 0.25 -0.02 0.12 2.37 3.64 0.23 -3.35 116.57 119.81 3bdm h LYS 164 Ca 0.06 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.16 3bdm h LYS 164 Cb 0.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3bdm h LYS 164 CO 0.00 0.09 -1.43 -1.49 -2.27 0.00 0.00 179.45 174.35 3bdm h TRP 165 N -0.12 0.45 -3.36 1.91 4.06 -1.24 -3.45 115.95 114.20 3bdm h TRP 165 Ca -0.00 -0.33 -0.59 0.00 2.06 0.00 0.00 58.89 60.03 3bdm h TRP 165 Cb 0.12 -0.02 -0.08 0.00 -1.00 0.00 0.00 29.16 28.18 3bdm h TRP 165 CO -0.04 1.56 0.61 0.34 -3.56 0.00 0.00 178.44 177.35 3bdm s ASP 166 N -7.04 6.80 0.22 -3.49 2.15 -0.19 -4.91 116.67 110.21 3bdm s ASP 166 Ca -0.20 0.87 0.22 0.00 0.43 0.00 0.00 52.55 53.87 3bdm s ASP 166 Cb 0.04 -2.47 0.93 0.00 -0.30 0.00 0.00 42.92 41.12 3bdm s ASP 166 CO 0.77 -0.74 1.68 0.61 -0.17 0.00 0.00 175.17 177.32 3bdm n GLY 167 N 4.01 -1.24 0.51 2.66 0.00 -1.26 -2.00 105.19 107.86 3bdm n GLY 167 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.21 3bdm n GLY 167 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bdm n SER 168 N -2.13 1.48 -4.27 1.61 7.64 -1.26 -4.84 113.62 111.84 3bdm n SER 168 Ca 0.02 -1.98 -0.15 0.00 1.01 0.00 0.00 58.87 57.78 3bdm n SER 168 Cb 0.22 -0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.14 3bdm n SER 168 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3bdm s SER 169 N -1.04 1.74 0.00 6.43 0.01 -0.85 -1.35 113.70 118.65 3bdm s SER 169 Ca 0.19 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.36 3bdm s SER 169 Cb 0.10 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.34 3bdm s SER 169 CO 0.14 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.99 3bdm n GLY 170 N -0.27 -0.16 4.62 3.44 0.00 -1.26 -4.88 105.19 106.69 3bdm n GLY 170 Ca -0.08 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3bdm n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 171 N 0.00 0.55 3.83 -0.02 0.00 -1.26 -1.72 105.19 106.57 3bdm n GLY 171 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 3bdm n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 172 N 0.00 4.59 -0.24 1.61 -7.23 -1.26 -4.33 120.40 113.55 3bdm s VAL 172 Ca 0.00 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.93 3bdm s VAL 172 Cb 0.00 -3.39 -0.05 0.00 0.56 0.00 0.00 36.38 33.50 3bdm s VAL 172 CO 0.00 -0.18 0.23 -0.63 -0.31 0.00 0.00 175.10 174.21 3bdm s ILE 173 N -1.86 5.31 -0.02 -0.62 1.01 -0.61 -2.89 121.20 121.53 3bdm s ILE 173 Ca 0.32 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.31 3bdm s ILE 173 Cb -0.10 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 3bdm s ILE 173 CO 0.25 0.30 -0.03 -0.13 0.00 0.00 0.00 174.94 175.33 3bdm s ARG 174 N 1.25 2.73 0.11 2.79 0.52 0.20 -0.79 118.95 125.77 3bdm s ARG 174 Ca 0.11 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 54.73 3bdm s ARG 174 Cb -0.14 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 3bdm s ARG 174 CO 0.06 0.63 -0.09 -1.64 0.02 0.00 0.00 175.30 174.29 3bdm s MET 175 N -1.34 0.91 -0.08 3.54 -1.94 0.05 -1.24 119.30 119.19 3bdm s MET 175 Ca 0.17 -1.31 -0.03 0.00 -1.71 0.00 0.00 55.69 52.82 3bdm s MET 175 Cb -0.11 -0.45 0.04 0.00 2.01 0.00 0.00 34.83 36.32 3bdm s MET 175 CO 0.07 0.04 0.11 0.08 -0.01 0.00 0.00 175.02 175.32 3bdm s VAL 176 N -3.11 -0.18 -0.22 -6.03 1.01 -0.06 -0.67 120.40 111.14 3bdm s VAL 176 Ca 0.11 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 3bdm s VAL 176 Cb 0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 3bdm s VAL 176 CO -0.01 0.09 0.20 -0.69 0.00 0.00 0.00 175.10 174.69 3bdm s VAL 177 N 2.22 5.34 -0.24 2.92 1.01 0.50 -0.91 120.40 131.23 3bdm s VAL 177 Ca 0.04 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.32 3bdm s VAL 177 Cb -0.13 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.75 3bdm s VAL 177 CO -0.05 0.35 -0.11 -0.76 0.00 0.00 0.00 175.10 174.53 3bdm s LEU 178 N 0.95 3.12 0.33 3.92 1.02 0.63 -1.68 118.68 126.98 3bdm s LEU 178 Ca 0.10 -1.07 -0.04 0.00 0.02 0.00 0.00 54.13 53.14 3bdm s LEU 178 Cb -0.13 -1.58 0.00 0.00 0.02 0.00 0.00 46.19 44.50 3bdm s LEU 178 CO 0.04 -0.14 0.48 0.42 0.02 0.00 0.00 176.35 177.17 3bdm s THR 179 N 1.22 0.00 0.43 5.49 -4.23 -1.01 -1.45 115.64 116.10 3bdm s THR 179 Ca -0.03 -1.56 0.12 0.00 -1.18 0.00 0.00 61.69 59.04 3bdm s THR 179 Cb -0.17 -2.60 0.30 0.00 1.34 0.00 0.00 72.50 71.37 3bdm s THR 179 CO -0.06 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.04 3bdm h ALA 180 N 2.13 1.92 0.00 3.99 0.00 -1.92 -0.77 119.26 124.61 3bdm h ALA 180 Ca -0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3bdm h ALA 180 Cb 1.24 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3bdm h ALA 180 CO 0.39 -0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.57 3bdm h ALA 181 N 1.73 1.41 0.00 0.00 0.00 -1.95 -3.48 119.26 116.97 3bdm h ALA 181 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bdm h ALA 181 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3bdm h ALA 181 CO -0.05 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3bdm n GLY 183 N -1.00 0.69 3.07 0.00 0.00 -0.30 -5.06 105.19 102.59 3bdm n GLY 183 Ca -0.02 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 3bdm n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 184 N -3.79 1.66 -0.11 1.61 1.01 -1.26 -2.40 120.40 117.12 3bdm s VAL 184 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3bdm s VAL 184 Cb 0.00 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.87 3bdm s VAL 184 CO 0.00 0.47 -0.21 -0.70 0.00 0.00 0.00 175.10 174.66 3bdm s GLU 185 N 1.17 2.82 -0.08 2.72 2.12 -0.68 -4.95 118.70 121.82 3bdm s GLU 185 Ca -0.01 -0.79 -0.18 0.00 0.36 0.00 0.00 54.97 54.34 3bdm s GLU 185 Cb -0.14 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 3bdm s GLU 185 CO -0.06 0.08 0.49 1.03 -0.54 0.00 0.00 175.26 176.26 3bdm s ARG 186 N 0.58 4.27 0.10 4.30 1.81 -1.26 -0.37 118.95 128.37 3bdm s ARG 186 Ca -0.14 0.50 0.07 0.00 -1.72 0.00 0.00 55.73 54.45 3bdm s ARG 186 Cb -0.17 -3.38 -0.03 0.00 -0.45 0.00 0.00 34.95 30.92 3bdm s ARG 186 CO 0.04 0.29 -0.18 -0.51 -0.68 0.00 0.00 175.30 174.25 3bdm s LEU 187 N 0.18 2.30 -0.03 2.53 1.43 0.15 -4.98 118.68 120.27 3bdm s LEU 187 Ca 0.27 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3bdm s LEU 187 Cb -0.16 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.31 3bdm s LEU 187 CO 0.12 0.01 0.08 -0.51 0.23 0.00 0.00 176.35 176.27 3bdm s ILE 18 N -1.26 0.00 -0.02 -0.59 2.07 -1.26 -0.77 121.20 119.37 3bdm s ILE 18 Ca 0.04 -0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.29 3bdm s ILE 18 Cb -0.10 -0.12 0.00 0.00 0.13 0.00 0.00 42.46 42.37 3bdm s ILE 18 CO 0.04 -0.01 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.61 3bdm s PHE 18 N 0.01 0.93 0.33 3.50 0.08 0.03 -4.99 117.98 117.87 3bdm s PHE 18 Ca -0.00 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 56.84 3bdm s PHE 18 Cb -0.01 -0.66 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 3bdm s PHE 18 CO 0.00 -0.09 0.51 0.71 -0.10 0.00 0.00 175.22 176.24 3bdm s TYR 18 N 0.17 3.46 0.20 0.36 2.02 -1.26 -1.57 117.35 120.72 3bdm s TYR 18 Ca -0.03 0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.74 3bdm s TYR 18 Cb -0.08 -1.84 0.18 0.00 -0.40 0.00 0.00 41.96 39.82 3bdm s TYR 18 CO 0.00 0.17 1.61 -1.35 -1.57 0.00 0.00 175.55 174.42 3bdm h PRO 18 N 0.84 -0.08 -0.68 -1.71 0.11 -1.98 0.11 132.00 128.61 3bdm h PRO 18 Ca -0.50 0.01 0.20 0.00 0.11 0.00 0.00 66.00 65.81 3bdm h PRO 18 Cb 1.22 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3bdm h PRO 18 CO 0.61 -0.05 0.69 -0.44 -0.21 0.00 0.00 178.00 178.60 3bdm h ASP 18 N -0.08 0.00 0.00 -2.05 3.32 -1.96 0.40 116.42 116.06 3bdm h ASP 18 Ca 0.26 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 3bdm h ASP 18 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3bdm h ASP 18 CO -0.63 0.00 -0.78 1.21 -1.72 0.00 0.00 179.24 177.32 3bdm n GLU 18 N -3.67 0.49 0.24 3.56 2.13 0.34 -4.43 120.64 119.30 3bdm n GLU 18 Ca 0.14 0.49 0.15 0.00 0.66 0.00 0.00 57.16 58.60 3bdm n GLU 18 Cb 0.93 -1.67 0.53 0.00 0.27 0.00 0.00 31.44 31.50 3bdm n GLU 18 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 3bdm h TYR 18 N -1.00 0.00 -0.31 4.31 -0.00 -1.28 -3.13 116.97 115.55 3bdm h TYR 18 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.56 3bdm h TYR 18 Cb 0.75 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.47 3bdm h TYR 18 CO -0.18 0.00 -0.13 0.93 -0.00 0.00 0.00 178.16 178.77 3bdm h GLU 18 N 0.00 0.54 -2.03 0.10 5.08 -1.15 -3.17 114.58 113.95 3bdm h GLU 18 Ca 0.00 -0.16 -0.77 0.00 -1.00 0.00 0.00 59.36 57.43 3bdm h GLU 18 Cb 0.62 -0.05 -0.28 0.00 0.50 0.00 0.00 28.75 29.54 3bdm h GLU 18 CO 0.00 0.66 0.95 1.04 -1.00 0.00 0.00 179.01 180.66 3bdm n GLN 18 N -4.19 3.31 0.00 2.33 3.00 -1.18 -5.11 117.38 115.54 3bdm n GLN 18 Ca 0.01 -3.81 0.01 0.00 -0.01 0.00 0.00 57.00 53.20 3bdm n GLN 18 Cb 0.34 -2.31 0.01 0.00 0.00 0.00 0.00 30.24 28.28 3bdm n GLN 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34