#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm n GLN -7 N 0.00 1.63 -3.71 -2.82 10.64 -1.26 -5.06 117.38 116.79 3bdm n GLN -7 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 3bdm n GLN -7 Cb 0.00 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.26 3bdm n GLN -7 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 3bdm s GLN -6 N -1.74 0.24 0.48 2.61 -2.07 -1.26 -5.09 119.66 112.83 3bdm s GLN -6 Ca 0.00 0.65 -0.23 0.00 -1.82 0.00 0.00 55.36 53.95 3bdm s GLN -6 Cb 0.00 -0.07 -0.08 0.00 -1.09 0.00 0.00 33.01 31.77 3bdm s GLN -6 CO 0.00 -0.18 1.17 -0.35 -1.32 0.00 0.00 175.29 174.61 3bdm n PRO -5 N 4.46 1.57 0.03 9.60 -0.04 -1.26 -4.97 135.00 144.38 3bdm n PRO -5 Ca -0.21 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3bdm n PRO -5 Cb 0.53 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 3bdm n PRO -5 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3bdm n ILE -4 N -0.71 0.58 -3.42 0.52 5.41 -1.26 -4.98 119.36 115.50 3bdm n ILE -4 Ca 0.09 0.19 -0.38 0.00 1.00 0.00 0.00 62.75 63.65 3bdm n ILE -4 Cb 0.42 -1.24 -0.08 0.00 -0.71 0.00 0.00 39.64 38.03 3bdm n ILE -4 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3bdm s VAL -3 N -1.50 5.21 0.21 1.39 1.01 -1.26 -4.20 120.40 121.26 3bdm s VAL -3 Ca 0.00 0.61 0.09 0.00 0.00 0.00 0.00 61.98 62.68 3bdm s VAL -3 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 3bdm s VAL -3 CO 0.00 0.23 -0.17 0.42 0.00 0.00 0.00 175.10 175.59 3bdm s THR -2 N 1.52 1.91 0.04 3.92 -4.23 0.12 0.25 115.64 119.17 3bdm s THR -2 Ca 0.16 -2.17 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 3bdm s THR -2 Cb -0.15 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 3bdm s THR -2 CO 0.08 -0.48 -0.07 -0.83 -0.54 0.00 0.00 174.62 172.78 3bdm s GLY -1 N -3.17 1.77 0.00 3.99 0.00 0.29 -0.86 107.32 109.35 3bdm s GLY -1 Ca 0.22 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3bdm s GLY -1 CO 0.08 -1.00 0.00 -0.37 0.00 0.00 0.00 173.10 171.81 3bdm n THR 1 N 1.23 0.00 -1.38 0.90 5.66 -1.26 -2.06 114.28 117.37 3bdm n THR 1 Ca -0.14 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.46 3bdm n THR 1 Cb 0.52 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.32 3bdm n THR 1 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3bdm n SER 2 N 0.00 -2.02 -3.71 1.09 7.64 -1.26 -4.59 113.62 110.77 3bdm n SER 2 Ca 0.00 0.74 -0.23 0.00 1.01 0.00 0.00 58.87 60.39 3bdm n SER 2 Cb 0.00 -1.03 -0.17 0.00 -1.01 0.00 0.00 64.21 61.99 3bdm n SER 2 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3bdm s VAL 3 N -1.77 0.18 0.25 0.44 1.01 -1.25 -4.31 120.40 114.94 3bdm s VAL 3 Ca 0.63 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.83 3bdm s VAL 3 Cb -0.50 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 3bdm s VAL 3 CO 0.59 0.11 -0.18 0.27 0.00 0.00 0.00 175.10 175.89 3bdm s ILE 4 N 2.04 2.62 -0.05 2.22 -4.36 -0.56 -1.15 121.20 121.97 3bdm s ILE 4 Ca 0.04 -2.20 -0.31 0.00 -0.26 0.00 0.00 60.65 57.93 3bdm s ILE 4 Cb -0.13 -2.35 0.11 0.00 1.25 0.00 0.00 42.46 41.34 3bdm s ILE 4 CO -0.05 -0.30 1.04 -0.94 0.24 0.00 0.00 174.94 174.92 3bdm s SER 5 N -3.27 -0.24 0.30 4.36 1.04 -0.08 -1.02 113.70 114.78 3bdm s SER 5 Ca 0.27 -0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.45 3bdm s SER 5 Cb -0.06 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.38 3bdm s SER 5 CO 0.14 -0.50 0.73 0.00 0.98 0.00 0.00 173.24 174.59 3bdm s MET 6 N -2.85 1.87 -0.04 4.02 0.23 -0.91 -1.26 119.30 120.36 3bdm s MET 6 Ca 0.08 -1.08 0.05 0.00 -1.03 0.00 0.00 55.69 53.71 3bdm s MET 6 Cb -0.01 0.61 -0.01 0.00 -1.53 0.00 0.00 34.83 33.90 3bdm s MET 6 CO -0.06 -0.86 -0.20 -1.59 -2.03 0.00 0.00 175.02 170.28 3bdm s LYS 7 N -3.62 1.97 0.00 3.16 -2.85 -0.83 -1.58 119.74 115.99 3bdm s LYS 7 Ca 0.12 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 3bdm s LYS 7 Cb -0.06 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 3bdm s LYS 7 CO 0.08 0.33 0.00 2.48 0.10 0.00 0.00 175.35 178.34 3bdm n TYR 8 N 2.96 -1.63 0.24 1.78 4.11 -0.30 -4.85 117.16 119.47 3bdm n TYR 8 Ca -0.17 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 57.80 3bdm n TYR 8 Cb 0.53 0.00 0.60 0.00 -0.00 0.00 0.00 39.34 40.46 3bdm n TYR 8 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 3bdm h ASP 9 N 0.00 0.00 -0.00 9.48 3.04 -0.19 -3.25 116.42 125.49 3bdm h ASP 9 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3bdm h ASP 9 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3bdm h ASP 9 CO 0.00 0.12 -0.02 0.59 -2.04 0.00 0.00 179.24 177.89 3bdm n ASN 10 N -4.25 1.20 0.00 4.15 5.03 -1.26 -4.85 115.26 115.28 3bdm n ASN 10 Ca -0.03 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.33 3bdm n ASN 10 Cb 0.20 0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 3bdm n ASN 10 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bdm n GLY 11 N 0.35 -0.97 3.13 7.41 0.00 -1.23 -0.97 105.19 112.91 3bdm n GLY 11 Ca 0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3bdm n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 12 N -4.00 0.19 0.02 1.61 -7.23 -0.82 -1.15 120.40 109.02 3bdm s VAL 12 Ca 0.00 -1.57 0.05 0.00 -1.81 0.00 0.00 61.98 58.64 3bdm s VAL 12 Cb 0.00 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 3bdm s VAL 12 CO 0.00 -0.87 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.15 3bdm s ILE 13 N -3.90 1.09 -0.08 -0.62 1.01 -0.61 -1.14 121.20 116.95 3bdm s ILE 13 Ca 0.06 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 3bdm s ILE 13 Cb 0.07 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.60 3bdm s ILE 13 CO -0.10 0.13 0.20 -0.51 0.00 0.00 0.00 174.94 174.66 3bdm s ILE 14 N -0.62 -0.00 0.05 2.92 2.07 -0.58 -2.13 121.20 122.91 3bdm s ILE 14 Ca 0.03 0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.23 3bdm s ILE 14 Cb -0.07 -0.29 -0.02 0.00 0.13 0.00 0.00 42.46 42.22 3bdm s ILE 14 CO 0.00 0.00 0.08 0.00 -1.91 0.00 0.00 174.94 173.12 3bdm s ALA 15 N 0.14 0.06 -0.28 1.50 0.00 -0.19 -0.86 121.76 122.13 3bdm s ALA 15 Ca -0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 3bdm s ALA 15 Cb -0.02 0.31 0.09 0.00 0.00 0.00 0.00 23.12 23.50 3bdm s ALA 15 CO 0.00 -0.38 0.79 0.00 0.00 0.00 0.00 175.76 176.17 3bdm s ALA 16 N -3.28 -1.87 0.88 0.00 0.00 -0.87 -1.50 121.76 115.12 3bdm s ALA 16 Ca 0.01 2.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.95 3bdm s ALA 16 Cb 0.03 -1.31 0.12 0.00 0.00 0.00 0.00 23.12 21.95 3bdm s ALA 16 CO -0.08 -0.33 1.09 0.16 0.00 0.00 0.00 175.76 176.61 3bdm s ASP 17 N 0.66 3.66 -0.65 0.00 3.84 -1.26 -1.36 116.67 121.56 3bdm s ASP 17 Ca -0.02 1.48 -0.02 0.00 -0.00 0.00 0.00 52.55 53.99 3bdm s ASP 17 Cb -0.05 -2.17 0.42 0.00 -1.38 0.00 0.00 42.92 39.74 3bdm s ASP 17 CO -0.06 -2.52 2.04 0.59 -0.00 0.00 0.00 175.17 175.23 3bdm n ASN 18 N -3.81 7.58 -4.81 2.11 3.02 -0.65 -4.58 115.26 114.12 3bdm n ASN 18 Ca 0.07 -3.72 -0.32 0.00 -0.03 0.00 0.00 54.58 50.58 3bdm n ASN 18 Cb 0.55 -1.00 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 3bdm n ASN 18 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3bdm s LEU 19 N -3.65 3.96 -0.41 3.41 2.96 -1.26 -2.51 118.68 121.18 3bdm s LEU 19 Ca 0.61 0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 3bdm s LEU 19 Cb 0.48 -2.46 0.13 0.00 0.50 0.00 0.00 46.19 44.84 3bdm s LEU 19 CO -0.04 0.22 0.20 -0.83 -1.32 0.00 0.00 176.35 174.58 3bdm s GLY 20 N -2.07 1.55 0.54 7.98 0.00 0.81 -4.54 107.32 111.59 3bdm s GLY 20 Ca 0.27 -2.39 -0.15 0.00 0.00 0.00 0.00 44.72 42.45 3bdm s GLY 20 CO 0.19 1.53 0.99 -0.56 0.00 0.00 0.00 173.10 175.25 3bdm s SER 21 N 0.66 6.52 -0.46 1.64 0.01 -0.04 -1.03 113.70 121.00 3bdm s SER 21 Ca 0.16 1.52 0.06 0.00 1.31 0.00 0.00 55.95 58.99 3bdm s SER 21 Cb -0.23 -2.49 0.20 0.00 0.21 0.00 0.00 66.02 63.71 3bdm s SER 21 CO -0.05 -0.65 0.45 0.00 0.41 0.00 0.00 173.24 173.40 3bdm n TYR 22 N -1.86 0.21 0.00 2.43 4.19 -0.54 0.13 117.16 121.72 3bdm n TYR 22 Ca 0.06 -3.60 0.00 0.00 3.31 0.00 0.00 57.90 57.68 3bdm n TYR 22 Cb 0.54 -0.12 0.00 0.00 0.49 0.00 0.00 39.34 40.25 3bdm n TYR 22 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3bdm n GLY 23 N 2.09 0.64 0.01 2.98 0.00 -1.26 -3.02 105.19 106.63 3bdm n GLY 23 Ca 0.26 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.55 3bdm n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bdm n SER 24 N 5.51 0.71 -4.64 1.61 3.41 -1.26 -4.84 113.62 114.11 3bdm n SER 24 Ca 0.00 -0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 57.65 3bdm n SER 24 Cb 0.00 0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 3bdm n SER 24 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3bdm s LEU 25 N -3.38 3.99 -1.46 1.04 2.96 -1.17 -4.91 118.68 115.75 3bdm s LEU 25 Ca 0.06 1.39 -0.14 0.00 -0.22 0.00 0.00 54.13 55.22 3bdm s LEU 25 Cb 0.16 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.34 3bdm s LEU 25 CO 0.82 -0.96 2.25 0.18 -1.32 0.00 0.00 176.35 177.32 3bdm n LEU 26 N 7.26 6.94 -0.01 -0.68 4.77 -1.26 -1.47 117.00 132.55 3bdm n LEU 26 Ca 0.14 -4.15 -0.10 0.00 -0.03 0.00 0.00 56.01 51.87 3bdm n LEU 26 Cb 0.46 -1.65 -0.04 0.00 -2.33 0.00 0.00 43.42 39.85 3bdm n LEU 26 CO 0.60 1.15 0.90 -0.09 -1.33 0.00 0.00 177.39 178.63 3bdm h ARG 27 N 5.96 0.13 -6.02 3.23 2.43 -1.90 -3.45 114.38 114.76 3bdm h ARG 27 Ca 0.58 -0.01 -0.68 0.00 -0.81 0.00 0.00 59.98 59.06 3bdm h ARG 27 Cb 0.63 -0.03 -0.28 0.00 -0.42 0.00 0.00 29.97 29.87 3bdm h ARG 27 CO 1.88 0.08 -0.83 -0.06 -1.51 0.00 0.00 179.97 179.54 3bdm s PHE 28 N -6.18 2.58 -0.38 2.20 0.08 -0.19 -5.00 117.98 111.09 3bdm s PHE 28 Ca -0.13 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.44 3bdm s PHE 28 Cb 0.08 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3bdm s PHE 28 CO 0.68 -0.08 0.56 0.09 -0.10 0.00 0.00 175.22 176.36 3bdm n ASN 29 N 2.83 1.16 -1.83 1.36 4.13 -1.26 -0.13 115.26 121.51 3bdm n ASN 29 Ca -0.17 -1.08 -0.20 0.00 1.68 0.00 0.00 54.58 54.80 3bdm n ASN 29 Cb 0.52 0.10 0.10 0.00 -1.54 0.00 0.00 39.78 38.96 3bdm n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bdm n GLY 30 N 0.27 5.72 3.60 7.41 0.00 -1.24 -4.68 105.19 116.26 3bdm n GLY 30 Ca 0.02 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3bdm n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 31 N -4.17 4.83 -0.48 1.61 1.01 -1.05 -5.01 120.40 117.13 3bdm s VAL 31 Ca 0.53 0.94 -0.20 0.00 0.00 0.00 0.00 61.98 63.25 3bdm s VAL 31 Cb 0.44 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.75 3bdm s VAL 31 CO 0.01 -0.27 0.65 -0.70 0.00 0.00 0.00 175.10 174.79 3bdm s GLU 32 N 2.86 3.19 -0.16 2.72 2.56 -1.26 -4.13 118.70 124.48 3bdm s GLU 32 Ca 0.29 -0.65 0.13 0.00 0.00 0.00 0.00 54.97 54.74 3bdm s GLU 32 Cb -0.14 -4.04 0.67 0.00 2.00 0.00 0.00 34.13 32.62 3bdm s GLU 32 CO 0.14 -1.16 1.54 0.54 -0.56 0.00 0.00 175.26 175.76 3bdm n ARG 33 N 6.31 3.95 -3.92 4.30 1.74 -1.26 -4.78 116.66 122.99 3bdm n ARG 33 Ca -0.04 -2.60 -0.35 0.00 -0.77 0.00 0.00 57.85 54.09 3bdm n ARG 33 Cb 0.46 -2.02 -0.14 0.00 -1.02 0.00 0.00 32.46 29.75 3bdm n ARG 33 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bdm s LEU 34 N -2.07 3.90 -0.34 0.55 1.43 -1.26 -1.55 118.68 119.33 3bdm s LEU 34 Ca 0.46 -1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.12 3bdm s LEU 34 Cb 0.33 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 3bdm s LEU 34 CO 0.17 -0.26 0.22 -0.63 0.23 0.00 0.00 176.35 176.07 3bdm s ILE 35 N 1.23 5.00 -0.04 -0.59 -1.09 0.16 -4.92 121.20 120.95 3bdm s ILE 35 Ca -0.05 -0.41 -0.20 0.00 -2.23 0.00 0.00 60.65 57.76 3bdm s ILE 35 Cb -0.20 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 3bdm s ILE 35 CO -0.02 -0.05 0.59 -2.84 -1.23 0.00 0.00 174.94 171.38 3bdm s PRO 36 N 1.67 4.33 -0.39 2.79 0.02 -1.26 0.74 135.00 142.89 3bdm s PRO 36 Ca 0.05 0.70 0.02 0.00 0.02 0.00 0.00 61.00 61.79 3bdm s PRO 36 Cb -0.18 -3.38 0.11 0.00 0.02 0.00 0.00 34.50 31.07 3bdm s PRO 36 CO 0.09 0.28 0.13 0.08 -0.33 0.00 0.00 177.00 177.25 3bdm s VAL 37 N 0.13 2.61 0.00 3.83 1.01 0.29 -4.96 120.40 123.31 3bdm s VAL 37 Ca 0.31 -2.45 0.00 0.00 0.00 0.00 0.00 61.98 59.84 3bdm s VAL 37 Cb -0.17 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3bdm s VAL 37 CO 0.16 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.21 3bdm n GLY 38 N 4.13 0.60 1.73 4.51 0.00 -1.26 -3.85 105.19 111.05 3bdm n GLY 38 Ca 0.03 -1.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.97 3bdm n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bdm n ASP 39 N 3.59 -0.26 0.00 1.61 3.85 -1.26 -4.79 116.55 119.28 3bdm n ASP 39 Ca 0.00 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.03 3bdm n ASP 39 Cb 0.00 0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 3bdm n ASP 39 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3bdm n ASN 40 N -0.29 0.00 -3.74 -1.12 2.04 -1.26 -4.25 115.26 106.64 3bdm n ASN 40 Ca -0.13 -1.00 -0.12 0.00 -0.44 0.00 0.00 54.58 52.89 3bdm n ASN 40 Cb 0.86 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.99 3bdm n ASN 40 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3bdm s THR 41 N 0.00 -0.03 -0.05 5.53 2.01 -1.25 -1.26 115.64 120.59 3bdm s THR 41 Ca 0.00 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.15 3bdm s THR 41 Cb 0.00 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.13 3bdm s THR 41 CO 0.00 0.05 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.16 3bdm s VAL 42 N 1.05 1.17 -0.26 3.82 1.01 0.18 -0.55 120.40 126.82 3bdm s VAL 42 Ca -0.08 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3bdm s VAL 42 Cb -0.09 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.27 3bdm s VAL 42 CO -0.07 0.36 -0.03 -0.69 0.00 0.00 0.00 175.10 174.66 3bdm s VAL 43 N 0.42 3.08 -0.22 2.92 1.01 0.23 -0.21 120.40 127.63 3bdm s VAL 43 Ca -0.10 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 3bdm s VAL 43 Cb -0.14 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3bdm s VAL 43 CO 0.03 0.16 0.14 -0.83 0.00 0.00 0.00 175.10 174.60 3bdm s GLY 44 N 1.35 2.01 -0.03 4.51 0.00 -0.36 0.35 107.32 115.16 3bdm s GLY 44 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 44.72 44.02 3bdm s GLY 44 CO -0.03 0.26 -0.26 -0.42 0.00 0.00 0.00 173.10 172.65 3bdm s ILE 45 N 0.68 2.04 0.10 0.90 1.01 -0.59 -1.69 121.20 123.65 3bdm s ILE 45 Ca 0.08 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.66 3bdm s ILE 45 Cb -0.12 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3bdm s ILE 45 CO 0.01 0.57 -0.08 -0.94 0.00 0.00 0.00 174.94 174.50 3bdm s SER 46 N -0.50 1.31 0.00 3.58 1.04 -0.70 -4.82 113.70 113.61 3bdm s SER 46 Ca 0.07 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3bdm s SER 46 Cb -0.11 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3bdm s SER 46 CO 0.00 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3bdm n GLY 47 N 0.29 0.21 3.68 7.32 0.00 -0.87 -1.33 105.19 114.49 3bdm n GLY 47 Ca -0.14 -1.98 -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 -0.35 0.00 0.00 0.00 173.32 172.97 3bdm s ASP 48 N -4.00 6.67 0.15 1.61 2.15 0.13 -0.55 116.67 122.83 3bdm s ASP 48 Ca 0.00 2.33 -0.14 0.00 0.43 0.00 0.00 52.55 55.17 3bdm s ASP 48 Cb 0.00 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 3bdm s ASP 48 CO 0.00 -0.88 1.70 0.40 -0.17 0.00 0.00 175.17 176.23 3bdm h ILE 49 N 5.14 1.21 -0.84 4.11 1.08 -0.54 -1.26 117.51 126.41 3bdm h ILE 49 Ca -0.41 -0.64 0.03 0.00 -0.39 0.00 0.00 64.86 63.46 3bdm h ILE 49 Cb 1.19 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.62 3bdm h ILE 49 CO 0.93 0.24 0.54 0.77 -0.69 0.00 0.00 178.15 179.95 3bdm h SER 50 N 0.64 0.89 -0.26 1.72 4.64 -1.92 0.21 113.55 119.47 3bdm h SER 50 Ca 0.16 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 3bdm h SER 50 Cb 0.19 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3bdm h SER 50 CO -0.01 0.61 -0.15 0.44 -0.87 0.00 0.00 176.83 176.85 3bdm h ASP 51 N 1.04 0.69 -0.18 4.97 3.45 -1.90 -1.78 116.42 122.72 3bdm h ASP 51 Ca 0.34 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.58 3bdm h ASP 51 Cb 0.02 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 3bdm h ASP 51 CO -0.12 0.85 0.09 -0.03 -1.57 0.00 0.00 179.24 178.46 3bdm h MET 52 N 0.62 0.26 -0.97 3.56 4.05 0.10 0.19 114.93 122.75 3bdm h MET 52 Ca 0.10 -0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.62 3bdm h MET 52 Cb 0.60 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.27 3bdm h MET 52 CO 0.04 0.28 0.61 1.96 0.23 0.00 0.00 176.91 180.03 3bdm h GLN 53 N 0.17 0.86 -0.27 0.39 4.20 -0.37 0.19 115.11 120.27 3bdm h GLN 53 Ca 0.06 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3bdm h GLN 53 Cb 0.10 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3bdm h GLN 53 CO -0.01 0.57 -0.13 1.25 -0.67 0.00 0.00 178.83 179.84 3bdm h HIS 54 N 0.88 0.65 0.00 2.96 2.76 -0.44 -2.40 115.15 119.56 3bdm h HIS 54 Ca 0.49 -0.16 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 3bdm h HIS 54 Cb 0.59 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 3bdm h HIS 54 CO -0.00 0.81 -0.08 0.82 -1.30 0.00 0.00 177.93 178.18 3bdm h ILE 55 N 0.30 0.73 -0.31 6.26 5.03 0.31 -2.27 117.51 127.56 3bdm h ILE 55 Ca 0.06 -0.30 -0.06 0.00 -0.12 0.00 0.00 64.86 64.44 3bdm h ILE 55 Cb 0.64 1.18 -0.01 0.00 -3.03 0.00 0.00 36.82 35.59 3bdm h ILE 55 CO 0.04 0.07 -0.05 -0.08 -0.68 0.00 0.00 178.15 177.45 3bdm h GLU 56 N 0.00 0.59 -0.33 2.37 4.81 -0.52 -1.52 114.58 119.97 3bdm h GLU 56 Ca -0.00 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 3bdm h GLU 56 Cb 0.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3bdm h GLU 56 CO 0.01 0.76 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.84 3bdm h ARG 57 N 0.36 0.56 -0.59 1.92 2.43 -1.01 -1.33 114.38 116.72 3bdm h ARG 57 Ca 0.08 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 3bdm h ARG 57 Cb 0.53 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3bdm h ARG 57 CO 0.03 0.67 0.02 -0.07 -1.51 0.00 0.00 179.97 179.11 3bdm h LEU 58 N 0.52 0.98 -0.38 3.80 3.38 -1.21 -1.56 115.31 120.84 3bdm h LEU 58 Ca 0.09 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3bdm h LEU 58 Cb 0.51 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3bdm h LEU 58 CO 0.03 1.02 -0.04 -0.07 0.09 0.00 0.00 178.44 179.47 3bdm h LEU 59 N 0.93 0.70 -0.88 1.67 3.38 -0.70 -0.91 115.31 119.50 3bdm h LEU 59 Ca 0.17 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3bdm h LEU 59 Cb 0.51 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3bdm h LEU 59 CO 0.02 0.87 0.12 0.11 0.09 0.00 0.00 178.44 179.65 3bdm h LYS 60 N 0.52 0.94 -0.32 1.13 1.57 -1.11 -2.33 116.57 116.97 3bdm h LYS 60 Ca 0.10 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 3bdm h LYS 60 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3bdm h LYS 60 CO 0.03 0.86 -0.22 -0.44 -0.57 0.00 0.00 179.45 179.10 3bdm h ASP 61 N 0.90 0.62 -0.23 0.86 3.32 -1.12 -0.74 116.42 120.02 3bdm h ASP 61 Ca 0.19 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3bdm h ASP 61 Cb 0.36 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3bdm h ASP 61 CO 0.00 0.83 0.11 0.25 -1.72 0.00 0.00 179.24 178.72 3bdm h LEU 62 N 0.54 0.33 0.00 1.55 6.46 -0.65 0.11 115.31 123.65 3bdm h LEU 62 Ca 0.08 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3bdm h LEU 62 Cb 0.68 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 3bdm h LEU 62 CO 0.05 0.30 -0.02 0.58 -0.62 0.00 0.00 178.44 178.74 3bdm h VAL 63 N 0.37 1.67 -0.72 1.05 2.07 -0.91 -2.25 116.25 117.54 3bdm h VAL 63 Ca 0.10 -2.00 0.11 0.00 0.82 0.00 0.00 66.70 65.73 3bdm h VAL 63 Cb 0.07 3.03 -0.08 0.00 -1.52 0.00 0.00 31.29 32.79 3bdm h VAL 63 CO -0.01 0.52 0.33 0.74 0.02 0.00 0.00 177.57 179.17 3bdm h THR 64 N -0.83 0.79 -0.41 2.57 2.02 -0.88 -2.49 112.91 113.68 3bdm h THR 64 Ca -0.00 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3bdm h THR 64 Cb 0.86 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3bdm h THR 64 CO 0.00 0.10 0.02 -0.08 0.37 0.00 0.00 175.52 175.93 3bdm h GLU 65 N 0.55 0.71 -0.04 6.66 4.57 -0.86 -2.92 114.58 123.25 3bdm h GLU 65 Ca 0.37 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3bdm h GLU 65 Cb 0.44 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3bdm h GLU 65 CO -0.31 0.78 0.04 -0.97 -1.18 0.00 0.00 179.01 177.38 3bdm h ASN 66 N 0.54 0.00 -0.08 1.04 -1.24 -0.95 -1.77 115.58 113.12 3bdm h ASN 66 Ca 0.12 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.97 3bdm h ASN 66 Cb 0.45 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 3bdm h ASN 66 CO 0.02 0.00 -0.49 0.00 -1.29 0.00 0.00 177.43 175.67 3bdm h ALA 67 N 1.96 0.70 -1.53 1.57 0.00 -1.32 -3.40 119.26 117.23 3bdm h ALA 67 Ca 0.02 -0.48 -0.72 0.00 0.00 0.00 0.00 54.91 53.72 3bdm h ALA 67 Cb 0.10 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 17.83 3bdm h ALA 67 CO -0.00 0.67 0.62 0.66 0.00 0.00 0.00 179.25 181.21 3bdm n TYR 68 N -4.00 1.68 -3.22 0.00 4.01 -0.67 -1.09 117.16 113.88 3bdm n TYR 68 Ca -0.03 0.66 -0.20 0.00 -0.16 0.00 0.00 57.90 58.17 3bdm n TYR 68 Cb 0.57 -2.36 -0.01 0.00 -0.31 0.00 0.00 39.34 37.23 3bdm n TYR 68 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3bdm n ASP 69 N 3.70 -3.04 -3.84 7.72 10.43 -1.26 -4.91 116.55 125.35 3bdm n ASP 69 Ca 0.23 -0.25 -0.30 0.00 2.57 0.00 0.00 54.79 57.04 3bdm n ASP 69 Cb 0.14 -2.57 -0.14 0.00 1.84 0.00 0.00 41.12 40.39 3bdm n ASP 69 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3bdm s ASN 70 N -2.56 4.11 0.41 -2.24 2.47 -0.25 -4.96 114.94 111.92 3bdm s ASN 70 Ca 0.32 -2.47 0.29 0.00 0.42 0.00 0.00 52.86 51.42 3bdm s ASN 70 Cb -0.18 -1.28 1.38 0.00 -1.45 0.00 0.00 41.25 39.72 3bdm s ASN 70 CO 0.40 -0.31 1.87 1.55 -3.72 0.00 0.00 177.10 176.89 3bdm h PRO 69 N 7.07 0.00 -0.32 0.43 0.13 -1.91 -2.45 132.00 134.96 3bdm h PRO 69 Ca -0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 3bdm h PRO 69 Cb 0.95 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.00 3bdm h PRO 69 CO 0.54 0.00 -0.05 1.28 -0.23 0.00 0.00 178.00 179.54 3bdm n LEU 69 N -2.57 4.02 0.28 1.56 4.77 -1.26 -4.72 117.00 119.08 3bdm n LEU 69 Ca -0.00 -3.56 0.16 0.00 -0.03 0.00 0.00 56.01 52.57 3bdm n LEU 69 Cb 0.16 -0.61 0.91 0.00 -2.33 0.00 0.00 43.42 41.56 3bdm n LEU 69 CO 0.18 1.09 1.13 0.00 -1.33 0.00 0.00 177.39 178.47 3bdm h ALA 70 N 1.15 1.55 -0.49 -1.18 0.00 -1.64 0.13 119.26 118.79 3bdm h ALA 70 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3bdm h ALA 70 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3bdm h ALA 70 CO 0.34 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.14 3bdm n ASP 71 N -3.81 3.42 0.00 0.00 5.68 -1.26 -3.66 116.55 116.91 3bdm n ASP 71 Ca -0.02 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 3bdm n ASP 71 Cb 0.12 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 3bdm n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3bdm n ALA 72 N 0.89 2.19 0.00 2.12 0.00 0.33 -4.90 120.51 121.15 3bdm n ALA 72 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3bdm n ALA 72 Cb 0.54 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.16 3bdm n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bdm n GLU 71 N -2.00 0.00 -2.32 0.00 -0.58 -0.38 -4.90 120.64 110.45 3bdm n GLU 71 Ca 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 3bdm n GLU 71 Cb 0.17 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.07 3bdm n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3bdm s ALA 71 N 0.00 3.24 0.05 0.62 0.00 -1.20 -4.38 121.76 120.09 3bdm s ALA 71 Ca 0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 3bdm s ALA 71 Cb 0.00 -2.68 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 3bdm s ALA 71 CO 0.00 -0.81 1.44 -0.51 0.00 0.00 0.00 175.76 175.88 3bdm s LEU 74 N -5.03 4.34 0.30 0.00 1.43 -1.26 -5.01 118.68 113.45 3bdm s LEU 74 Ca 0.54 2.25 -0.04 0.00 -1.03 0.00 0.00 54.13 55.84 3bdm s LEU 74 Cb -0.11 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 3bdm s LEU 74 CO 0.46 -0.73 0.57 -1.61 0.23 0.00 0.00 176.35 175.27 3bdm s GLU 75 N 2.01 3.61 0.21 1.70 0.41 -1.26 -4.93 118.70 120.46 3bdm s GLU 75 Ca 0.66 -0.02 -0.09 0.00 -0.41 0.00 0.00 54.97 55.11 3bdm s GLU 75 Cb -0.35 -2.63 0.17 0.00 -1.78 0.00 0.00 34.13 29.54 3bdm s GLU 75 CO 0.29 0.19 1.88 -1.35 -0.49 0.00 0.00 175.26 175.77 3bdm h PRO 76 N 1.51 1.06 -0.20 0.39 0.11 -1.84 -2.16 132.00 130.88 3bdm h PRO 76 Ca -0.48 -0.08 0.05 0.00 0.11 0.00 0.00 66.00 65.60 3bdm h PRO 76 Cb 1.19 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3bdm h PRO 76 CO 0.65 0.72 0.14 0.66 -0.21 0.00 0.00 178.00 179.96 3bdm h SER 77 N 1.08 0.05 -0.00 -2.05 4.64 -1.96 -0.23 113.55 115.07 3bdm h SER 77 Ca 0.29 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3bdm h SER 77 Cb -0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3bdm h SER 77 CO -0.06 0.03 -0.01 1.88 -0.87 0.00 0.00 176.83 177.81 3bdm h TYR 78 N 0.06 0.01 -0.96 4.77 0.05 -1.79 -2.41 116.97 116.70 3bdm h TYR 78 Ca 0.09 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.96 3bdm h TYR 78 Cb 0.30 -0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.97 3bdm h TYR 78 CO -0.00 0.66 0.62 0.82 -1.05 0.00 0.00 178.16 179.21 3bdm h ILE 79 N -0.64 0.99 0.53 -2.88 2.04 -1.03 -0.81 117.51 115.70 3bdm h ILE 79 Ca -0.00 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3bdm h ILE 79 Cb 0.67 -0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3bdm h ILE 79 CO 0.00 0.18 -0.25 0.15 0.00 0.00 0.00 178.15 178.23 3bdm h PHE 80 N 1.01 -0.66 -1.32 1.37 3.04 -1.10 -2.57 116.94 116.70 3bdm h PHE 80 Ca 0.44 -0.02 0.39 0.00 3.98 0.00 0.00 57.97 62.76 3bdm h PHE 80 Cb 0.36 0.22 -0.08 0.00 2.56 0.00 0.00 35.95 39.01 3bdm h PHE 80 CO -0.00 -0.41 0.92 1.49 -2.02 0.00 0.00 178.31 178.29 3bdm h GLU 81 N -0.97 0.09 0.53 1.11 4.57 -1.19 0.35 114.58 119.07 3bdm h GLU 81 Ca -0.07 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 3bdm h GLU 81 Cb 0.55 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.12 3bdm h GLU 81 CO 0.12 0.06 -0.25 -0.92 -1.18 0.00 0.00 179.01 176.83 3bdm h TYR 82 N 0.09 -0.66 -0.56 0.92 3.20 -1.10 -2.31 116.97 116.56 3bdm h TYR 82 Ca 0.68 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.61 3bdm h TYR 82 Cb 2.44 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 40.87 3bdm h TYR 82 CO -0.00 -0.38 0.22 -0.07 -1.64 0.00 0.00 178.16 176.29 3bdm h LEU 83 N -1.15 0.24 -0.83 2.82 3.38 -0.53 0.20 115.31 119.45 3bdm h LEU 83 Ca -0.07 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3bdm h LEU 83 Cb 0.57 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 3bdm h LEU 83 CO 0.12 0.16 0.42 0.00 0.09 0.00 0.00 178.44 179.23 3bdm h ALA 84 N 1.37 1.22 0.70 1.53 0.00 -0.48 0.73 119.26 124.32 3bdm h ALA 84 Ca 0.27 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3bdm h ALA 84 Cb 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3bdm h ALA 84 CO -0.26 -0.07 -0.34 1.15 0.00 0.00 0.00 179.25 179.73 3bdm h THR 85 N 0.63 0.15 -0.90 0.00 2.02 -0.48 -2.27 112.91 112.06 3bdm h THR 85 Ca 0.44 -0.24 0.17 0.00 0.77 0.00 0.00 66.41 67.55 3bdm h THR 85 Cb 0.59 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 67.09 3bdm h THR 85 CO -0.34 0.02 0.48 0.58 0.37 0.00 0.00 175.52 176.63 3bdm h VAL 86 N -1.15 0.69 0.08 3.16 2.07 -0.14 -1.53 116.25 119.44 3bdm h VAL 86 Ca -0.10 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3bdm h VAL 86 Cb 0.75 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3bdm h VAL 86 CO 0.16 0.12 -0.04 0.24 0.02 0.00 0.00 177.57 178.06 3bdm h MET 87 N 0.64 -0.11 -0.42 1.57 2.86 0.52 -1.91 114.93 118.09 3bdm h MET 87 Ca 0.51 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 58.09 3bdm h MET 87 Cb 0.78 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 3bdm h MET 87 CO -0.39 0.00 -0.02 -0.92 1.06 0.00 0.00 176.91 176.65 3bdm h TYR 88 N -0.20 0.73 -0.48 -0.22 5.03 -0.97 -2.10 116.97 118.76 3bdm h TYR 88 Ca -0.01 -0.10 -0.09 0.00 2.58 0.00 0.00 58.73 61.12 3bdm h TYR 88 Cb 0.16 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 3bdm h TYR 88 CO -0.05 0.70 -0.05 1.96 -1.32 0.00 0.00 178.16 179.41 3bdm h GLN 89 N 0.65 0.84 -0.09 1.82 4.20 -1.19 -0.51 115.11 120.83 3bdm h GLN 89 Ca 0.13 -0.26 -0.16 0.00 0.06 0.00 0.00 58.65 58.42 3bdm h GLN 89 Cb 0.43 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3bdm h GLN 89 CO 0.02 0.87 -0.63 0.00 -0.67 0.00 0.00 178.83 178.42 3bdm h ARG 90 N 0.77 0.32 -0.07 1.46 2.47 -1.09 -2.22 114.38 116.03 3bdm h ARG 90 Ca 0.14 -0.23 -0.18 0.00 -1.26 0.00 0.00 59.98 58.45 3bdm h ARG 90 Cb 0.53 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 3bdm h ARG 90 CO 0.03 0.85 -0.72 0.07 0.56 0.00 0.00 179.97 180.76 3bdm h ARG 91 N 0.24 0.34 0.00 0.04 -0.00 -1.14 -1.26 114.38 112.60 3bdm h ARG 91 Ca -0.01 -0.28 0.00 0.00 -0.00 0.00 0.00 59.98 59.69 3bdm h ARG 91 Cb 1.16 0.06 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 3bdm h ARG 91 CO 0.10 0.92 0.00 0.43 -0.00 0.00 0.00 179.97 181.42 3bdm n SER 92 N -3.83 0.51 -1.00 0.08 7.64 -0.22 -1.40 113.62 115.40 3bdm n SER 92 Ca -0.04 0.61 0.11 0.00 1.01 0.00 0.00 58.87 60.56 3bdm n SER 92 Cb 0.70 -0.72 0.17 0.00 -1.01 0.00 0.00 64.21 63.35 3bdm n SER 92 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bdm n LYS 92 N -2.05 2.28 -2.03 1.43 5.02 -0.85 -4.95 118.16 117.02 3bdm n LYS 92 Ca 0.03 -2.09 -0.14 0.00 -2.02 0.00 0.00 58.31 54.09 3bdm n LYS 92 Cb 0.25 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 3bdm n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3bdm n MET 92 N 1.29 -1.05 -3.14 1.97 2.81 -0.50 -4.93 117.12 113.57 3bdm n MET 92 Ca 0.16 0.74 -0.21 0.00 -1.81 0.00 0.00 57.70 56.59 3bdm n MET 92 Cb 0.55 -4.95 -0.05 0.00 -0.71 0.00 0.00 33.22 28.05 3bdm n MET 92 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3bdm n ASN 93 N -0.50 -0.58 -4.75 7.83 4.05 -0.50 0.94 115.26 121.75 3bdm n ASN 93 Ca -0.16 -2.73 -0.30 0.00 0.45 0.00 0.00 54.58 51.84 3bdm n ASN 93 Cb 0.58 -0.15 0.11 0.00 1.23 0.00 0.00 39.78 41.55 3bdm n ASN 93 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3bdm s PRO 94 N -0.57 1.72 -0.47 1.20 0.04 -1.13 -4.55 135.00 131.23 3bdm s PRO 94 Ca 0.34 0.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 3bdm s PRO 94 Cb 0.15 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.89 3bdm s PRO 94 CO -0.15 -1.93 0.44 -0.51 0.04 0.00 0.00 177.00 174.90 3bdm s LEU 95 N -6.03 5.43 -0.56 -3.56 1.43 -1.26 -4.91 118.68 109.22 3bdm s LEU 95 Ca 0.62 -1.19 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 3bdm s LEU 95 Cb -0.17 -2.24 -0.24 0.00 0.03 0.00 0.00 46.19 43.57 3bdm s LEU 95 CO 0.56 -0.68 1.82 1.87 0.23 0.00 0.00 176.35 180.15 3bdm n TRP 96 N 5.42 1.15 -4.07 0.29 -0.00 -1.26 -4.18 117.44 114.78 3bdm n TRP 96 Ca -0.11 -1.09 -0.10 0.00 -0.00 0.00 0.00 57.50 56.20 3bdm n TRP 96 Cb 0.44 -1.55 -0.08 0.00 -0.00 0.00 0.00 31.31 30.13 3bdm n TRP 96 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3bdm s ASN 97 N 6.33 0.07 -0.07 5.87 -0.87 -1.26 0.21 114.94 125.22 3bdm s ASN 97 Ca 0.66 -1.10 0.02 0.00 -1.57 0.00 0.00 52.86 50.88 3bdm s ASN 97 Cb 0.11 0.44 0.01 0.00 -0.02 0.00 0.00 41.25 41.79 3bdm s ASN 97 CO 0.22 -0.92 -0.13 0.00 -2.57 0.00 0.00 177.10 173.69 3bdm s ALA 98 N -4.05 1.34 0.01 0.60 0.00 -0.44 -0.28 121.76 118.94 3bdm s ALA 98 Ca 0.27 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.81 3bdm s ALA 98 Cb 0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3bdm s ALA 98 CO 0.07 0.13 -0.15 0.42 0.00 0.00 0.00 175.76 176.23 3bdm s ILE 99 N 0.63 1.19 -0.12 0.00 1.01 0.12 -1.72 121.20 122.31 3bdm s ILE 99 Ca -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.68 3bdm s ILE 99 Cb -0.16 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.31 3bdm s ILE 99 CO 0.04 0.19 -0.10 -0.63 0.00 0.00 0.00 174.94 174.44 3bdm s ILE 100 N -0.58 1.20 -0.31 2.92 1.01 -0.68 -1.44 121.20 123.32 3bdm s ILE 100 Ca 0.04 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 3bdm s ILE 100 Cb -0.07 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 3bdm s ILE 100 CO 0.00 0.39 0.24 -0.69 0.00 0.00 0.00 174.94 174.88 3bdm s VAL 101 N 1.51 5.28 -0.02 2.92 1.01 -0.22 -1.22 120.40 129.66 3bdm s VAL 101 Ca 0.02 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.13 3bdm s VAL 101 Cb -0.13 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3bdm s VAL 101 CO -0.07 0.12 -0.25 0.00 0.00 0.00 0.00 175.10 174.89 3bdm s ALA 102 N 1.79 2.12 0.00 5.51 0.00 0.71 -1.99 121.76 129.89 3bdm s ALA 102 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3bdm s ALA 102 Cb -0.17 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3bdm s ALA 102 CO 0.11 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.80 3bdm n GLY 103 N 2.42 -1.33 3.11 0.00 0.00 0.47 0.48 105.19 110.34 3bdm n GLY 103 Ca -0.16 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 3bdm n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 104 N -2.85 1.74 0.83 1.61 1.01 -0.39 0.15 120.40 122.50 3bdm s VAL 104 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 3bdm s VAL 104 Cb 0.00 -1.56 0.09 0.00 0.00 0.00 0.00 36.38 34.91 3bdm s VAL 104 CO 0.00 0.49 1.09 -1.10 0.00 0.00 0.00 175.10 175.58 3bdm s GLN 105 N 0.87 1.78 0.47 2.72 -1.52 0.16 -4.69 119.66 119.44 3bdm s GLN 105 Ca -0.08 1.08 0.17 0.00 -1.95 0.00 0.00 55.36 54.58 3bdm s GLN 105 Cb -0.15 -1.85 1.15 0.00 -0.22 0.00 0.00 33.01 31.94 3bdm s GLN 105 CO -0.01 -1.95 2.01 0.66 -0.25 0.00 0.00 175.29 175.75 3bdm h SER 10 N -1.35 0.22 -0.23 5.90 4.64 -1.97 0.10 113.55 120.86 3bdm h SER 10 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3bdm h SER 10 Cb 1.25 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3bdm h SER 10 CO 0.52 0.14 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 3bdm n ASN 10 N -4.46 1.92 0.00 4.97 6.94 -1.26 -4.89 115.26 118.49 3bdm n ASN 10 Ca 0.08 -2.14 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 3bdm n ASN 10 Cb 0.38 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3bdm n ASN 10 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bdm n GLY 106 N 0.59 2.90 3.07 4.83 0.00 0.02 -5.05 105.19 111.55 3bdm n GLY 106 Ca 0.09 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3bdm n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdm n ASP 107 N 0.74 -2.53 -4.79 1.61 10.43 -1.26 -4.39 116.55 116.36 3bdm n ASP 107 Ca 0.00 0.78 -0.38 0.00 2.57 0.00 0.00 54.79 57.76 3bdm n ASP 107 Cb 0.00 -0.83 -0.06 0.00 1.84 0.00 0.00 41.12 42.07 3bdm n ASP 107 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3bdm s GLN 108 N -0.93 4.10 -0.13 -1.24 1.11 -1.26 0.38 119.66 121.68 3bdm s GLN 108 Ca 0.55 0.46 0.02 0.00 0.01 0.00 0.00 55.36 56.41 3bdm s GLN 108 Cb -0.62 -3.29 0.00 0.00 -1.01 0.00 0.00 33.01 28.09 3bdm s GLN 108 CO 0.58 0.51 -0.20 0.12 0.01 0.00 0.00 175.29 176.31 3bdm s PHE 109 N -0.52 2.69 -0.21 0.91 2.19 0.40 -4.87 117.98 118.56 3bdm s PHE 109 Ca 0.25 -1.10 -0.04 0.00 0.33 0.00 0.00 56.93 56.37 3bdm s PHE 109 Cb -0.17 -1.81 0.11 0.00 -1.31 0.00 0.00 43.02 39.84 3bdm s PHE 109 CO 0.13 -0.47 0.32 -1.17 1.83 0.00 0.00 175.22 175.86 3bdm s LEU 110 N 0.63 -0.44 0.00 6.12 2.96 -1.25 -0.39 118.68 126.30 3bdm s LEU 110 Ca -0.10 0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 53.91 3bdm s LEU 110 Cb -0.16 0.87 0.01 0.00 0.50 0.00 0.00 46.19 47.41 3bdm s LEU 110 CO 0.03 -0.29 0.23 -0.60 -1.32 0.00 0.00 176.35 174.39 3bdm s ARG 111 N 2.47 0.61 0.10 1.98 3.52 -0.84 -4.47 118.95 122.32 3bdm s ARG 111 Ca 0.08 -0.34 0.07 0.00 -0.13 0.00 0.00 55.73 55.41 3bdm s ARG 111 Cb -0.15 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 3bdm s ARG 111 CO -0.13 -0.16 -0.12 -0.47 -0.81 0.00 0.00 175.30 173.60 3bdm s TYR 112 N -1.57 2.69 -0.22 5.12 5.04 -0.42 -1.05 117.35 126.94 3bdm s TYR 112 Ca -0.13 -0.18 -0.19 0.00 -2.44 0.00 0.00 57.07 54.14 3bdm s TYR 112 Cb -0.05 -1.42 0.06 0.00 0.35 0.00 0.00 41.96 40.90 3bdm s TYR 112 CO 0.02 0.41 0.57 0.54 -1.34 0.00 0.00 175.55 175.75 3bdm s VAL 113 N -1.18 -0.00 0.43 3.14 0.11 -0.52 -2.65 120.40 119.72 3bdm s VAL 113 Ca 0.20 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 3bdm s VAL 113 Cb -0.11 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 3bdm s VAL 113 CO 0.12 0.00 0.07 -0.46 -3.33 0.00 0.00 175.10 171.51 3bdm n ASN 114 N 3.07 2.19 0.23 3.54 0.23 -1.05 0.12 115.26 123.59 3bdm n ASN 114 Ca -0.15 -3.06 0.09 0.00 -0.53 0.00 0.00 54.58 50.93 3bdm n ASN 114 Cb 0.56 0.67 0.46 0.00 -2.08 0.00 0.00 39.78 39.39 3bdm n ASN 114 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3bdm h LEU 115 N 0.00 0.00 0.00 -4.53 -0.00 -0.81 0.58 115.31 110.55 3bdm h LEU 115 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 3bdm h LEU 115 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 3bdm h LEU 115 CO 0.56 0.00 -0.69 0.18 -0.00 0.00 0.00 178.44 178.49 3bdm n LEU 116 N -2.33 0.69 0.00 0.17 4.77 -1.26 -4.37 117.00 114.67 3bdm n LEU 116 Ca -0.01 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3bdm n LEU 116 Cb 0.41 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3bdm n LEU 116 CO 0.07 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3bdm n GLY 117 N 1.50 0.74 3.74 -0.72 0.00 0.20 -4.72 105.19 105.93 3bdm n GLY 117 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3bdm n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 118 N -2.19 3.73 0.09 1.61 1.01 -1.26 -4.78 120.40 118.61 3bdm s VAL 118 Ca 0.00 1.54 0.04 0.00 0.00 0.00 0.00 61.98 63.56 3bdm s VAL 118 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 3bdm s VAL 118 CO 0.00 0.29 -0.10 0.42 0.00 0.00 0.00 175.10 175.71 3bdm s THR 119 N -0.46 0.94 -0.04 3.92 -4.23 -1.26 -2.51 115.64 112.01 3bdm s THR 119 Ca 0.49 -1.62 -0.31 0.00 -1.18 0.00 0.00 61.69 59.07 3bdm s THR 119 Cb -0.30 -1.34 0.11 0.00 1.34 0.00 0.00 72.50 72.31 3bdm s THR 119 CO 0.37 -0.54 1.16 -0.72 -0.54 0.00 0.00 174.62 174.34 3bdm s TYR 120 N -2.38 -0.12 0.12 3.99 -0.85 -1.09 -4.99 117.35 112.04 3bdm s TYR 120 Ca 0.05 -0.00 0.04 0.00 -0.52 0.00 0.00 57.07 56.64 3bdm s TYR 120 Cb -0.03 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 3bdm s TYR 120 CO 0.00 -0.38 -0.10 -1.12 -1.52 0.00 0.00 175.55 172.43 3bdm s SER 121 N -2.67 1.64 -0.14 -0.18 0.01 -1.26 -1.30 113.70 109.80 3bdm s SER 121 Ca 0.11 -0.94 -0.31 0.00 1.31 0.00 0.00 55.95 56.12 3bdm s SER 121 Cb 0.01 0.00 0.13 0.00 0.21 0.00 0.00 66.02 66.38 3bdm s SER 121 CO -0.04 -0.31 1.07 -0.55 0.41 0.00 0.00 173.24 173.82 3bdm s SER 122 N -2.89 -0.27 0.64 2.44 0.15 -1.26 -5.01 113.70 107.51 3bdm s SER 122 Ca 0.12 0.15 0.31 0.00 0.70 0.00 0.00 55.95 57.22 3bdm s SER 122 Cb 0.01 0.25 1.67 0.00 -1.71 0.00 0.00 66.02 66.23 3bdm s SER 122 CO 0.00 -0.35 1.97 -0.65 1.20 0.00 0.00 173.24 175.41 3bdm h PRO 123 N 2.20 0.00 -4.22 5.44 0.11 -1.94 -3.40 132.00 130.19 3bdm h PRO 123 Ca -0.16 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.70 3bdm h PRO 123 Cb 1.19 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 3bdm h PRO 123 CO 0.28 0.00 -0.73 0.95 -0.21 0.00 0.00 178.00 178.29 3bdm s THR 124 N -4.27 0.32 -0.09 -1.15 -4.23 -1.26 -1.97 115.64 102.99 3bdm s THR 124 Ca -0.04 -0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.77 3bdm s THR 124 Cb 0.11 -0.36 0.02 0.00 1.34 0.00 0.00 72.50 73.62 3bdm s THR 124 CO 0.37 -0.20 0.25 -0.76 -0.54 0.00 0.00 174.62 173.74 3bdm s LEU 125 N -0.87 1.04 0.03 4.79 1.43 -0.39 -4.99 118.68 119.72 3bdm s LEU 125 Ca -0.06 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.44 3bdm s LEU 125 Cb -0.06 0.85 0.01 0.00 0.03 0.00 0.00 46.19 47.02 3bdm s LEU 125 CO -0.00 -0.09 0.22 0.00 0.23 0.00 0.00 176.35 176.71 3bdm s ALA 126 N 0.15 -0.45 0.25 4.21 0.00 -1.26 -0.90 121.76 123.76 3bdm s ALA 126 Ca -0.00 -0.15 0.09 0.00 0.00 0.00 0.00 51.96 51.90 3bdm s ALA 126 Cb -0.02 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3bdm s ALA 126 CO 0.00 -0.34 -0.03 0.95 0.00 0.00 0.00 175.76 176.35 3bdm s THR 127 N -2.27 3.39 0.00 0.00 -4.23 -0.30 -4.23 115.64 108.00 3bdm s THR 127 Ca -0.07 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3bdm s THR 127 Cb -0.02 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.04 3bdm s THR 127 CO -0.02 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3bdm n GLY 128 N -0.67 2.94 0.37 3.99 0.00 -1.26 -2.05 105.19 108.51 3bdm n GLY 128 Ca -0.07 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.93 3bdm n GLY 128 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3bdm h PHE 129 N 0.00 0.82 0.00 1.61 3.04 -1.95 -0.59 116.94 119.86 3bdm h PHE 129 Ca 0.00 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 3bdm h PHE 129 Cb 0.00 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.26 3bdm h PHE 129 CO 0.00 0.27 -0.00 0.78 -2.02 0.00 0.00 178.31 177.34 3bdm h GLY 130 N 0.67 0.00 1.84 2.40 0.00 -1.76 0.17 103.07 106.38 3bdm h GLY 130 Ca 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.73 3bdm h GLY 130 CO -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.08 3bdm h ALA 131 N 2.00 1.40 0.11 3.60 0.00 -1.16 -0.27 119.26 124.93 3bdm h ALA 131 Ca -0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 3bdm h ALA 131 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3bdm h ALA 131 CO 0.00 0.42 -1.82 0.45 0.00 0.00 0.00 179.25 178.31 3bdm h HIS 132 N 0.18 0.43 0.02 0.00 -0.00 -1.10 -3.38 115.15 111.30 3bdm h HIS 132 Ca 0.03 -0.31 -0.39 0.00 -0.00 0.00 0.00 60.37 59.69 3bdm h HIS 132 Cb 0.53 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.86 3bdm h HIS 132 CO 0.01 1.72 -2.28 -1.33 -0.00 0.00 0.00 177.93 176.04 3bdm n MET 133 N -3.68 0.63 -0.11 2.45 2.81 -0.72 -4.49 117.12 114.01 3bdm n MET 133 Ca -0.31 0.26 -0.12 0.00 -1.81 0.00 0.00 57.70 55.73 3bdm n MET 133 Cb 0.98 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.89 3bdm n MET 133 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3bdm h ALA 134 N -0.42 0.44 -0.31 3.04 0.00 -1.28 -3.29 119.26 117.43 3bdm h ALA 134 Ca -0.58 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.06 3bdm h ALA 134 Cb 1.74 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 3bdm h ALA 134 CO -0.21 0.30 0.11 -0.91 0.00 0.00 0.00 179.25 178.54 3bdm h ASN 135 N 0.40 0.12 -0.68 0.00 2.35 -1.43 -1.15 115.58 115.20 3bdm h ASN 135 Ca 0.08 0.03 0.15 0.00 -0.55 0.00 0.00 56.30 56.01 3bdm h ASN 135 Cb 0.60 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 3bdm h ASN 135 CO 0.04 0.10 0.46 -0.65 -1.65 0.00 0.00 177.43 175.73 3bdm h PRO 136 N 0.24 0.28 0.14 0.81 0.11 -1.79 0.19 132.00 131.99 3bdm h PRO 136 Ca 0.14 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3bdm h PRO 136 Cb 0.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3bdm h PRO 136 CO -0.14 0.19 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.69 3bdm h LEU 137 N 0.29 -0.16 -1.71 2.35 3.38 -1.48 -3.29 115.31 114.69 3bdm h LEU 137 Ca 0.33 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.38 3bdm h LEU 137 Cb 0.88 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3bdm h LEU 137 CO -0.08 0.31 0.33 -0.07 0.09 0.00 0.00 178.44 179.02 3bdm h LEU 138 N -1.05 0.30 -1.94 1.67 3.38 -1.02 0.54 115.31 117.19 3bdm h LEU 138 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3bdm h LEU 138 Cb 0.15 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3bdm h LEU 138 CO 0.03 0.19 -0.04 0.03 0.09 0.00 0.00 178.44 178.75 3bdm h ARG 139 N 0.34 0.00 0.00 1.13 3.08 -0.76 -0.87 114.38 117.30 3bdm h ARG 139 Ca 0.22 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 3bdm h ARG 139 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3bdm h ARG 139 CO -0.05 0.04 -0.36 0.87 -1.07 0.00 0.00 179.97 179.40 3bdm h LYS 140 N 0.00 0.00 0.06 0.04 1.57 -0.94 -2.02 116.57 115.27 3bdm h LYS 140 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 3bdm h LYS 140 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3bdm h LYS 140 CO 0.00 0.36 -0.83 0.28 -0.57 0.00 0.00 179.45 178.69 3bdm h VAL 141 N 0.00 1.34 -3.13 0.50 2.07 -1.24 -3.42 116.25 112.37 3bdm h VAL 141 Ca -0.00 -2.36 -0.62 0.00 0.82 0.00 0.00 66.70 64.54 3bdm h VAL 141 Cb 0.85 2.92 -0.40 0.00 -1.52 0.00 0.00 31.29 33.13 3bdm h VAL 141 CO 0.05 0.60 -0.72 0.68 0.02 0.00 0.00 177.57 178.19 3bdm s VAL 14 N -2.36 1.62 -0.05 2.57 -7.23 -0.80 -4.92 120.40 109.22 3bdm s VAL 14 Ca -0.20 -2.54 -0.14 0.00 -1.81 0.00 0.00 61.98 57.29 3bdm s VAL 14 Cb 0.02 -2.15 -0.31 0.00 0.56 0.00 0.00 36.38 34.51 3bdm s VAL 14 CO 0.72 -0.83 0.71 -0.78 -0.31 0.00 0.00 175.10 174.61 3bdm h ASP 14 N 6.92 0.57 -3.05 4.85 -0.00 -1.62 -3.40 116.42 120.69 3bdm h ASP 14 Ca -0.04 -0.91 -0.54 0.00 -0.00 0.00 0.00 57.03 55.54 3bdm h ASP 14 Cb 0.94 -0.19 -0.13 0.00 -0.00 0.00 0.00 39.33 39.95 3bdm h ASP 14 CO 0.52 1.69 -0.54 0.00 -0.00 0.00 0.00 179.24 180.91 3bdm s ARG 14 N -2.54 1.86 0.16 0.28 3.03 -1.26 -5.00 118.95 115.49 3bdm s ARG 14 Ca -0.16 -2.11 -0.15 0.00 2.03 0.00 0.00 55.73 55.34 3bdm s ARG 14 Cb 0.04 -0.72 0.09 0.00 -1.03 0.00 0.00 34.95 33.34 3bdm s ARG 14 CO 0.84 -0.39 1.76 1.49 -1.13 0.00 0.00 175.30 177.87 3bdm h GLU 14 N 1.86 0.34 0.00 3.89 4.57 -2.03 -2.23 114.58 120.98 3bdm h GLU 14 Ca -0.37 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3bdm h GLU 14 Cb 1.27 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3bdm h GLU 14 CO 0.61 0.22 0.08 -1.13 -1.18 0.00 0.00 179.01 177.62 3bdm n SER 14 N -4.98 0.09 0.12 1.04 3.41 -1.26 -1.29 113.62 110.76 3bdm n SER 14 Ca 0.02 0.47 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 3bdm n SER 14 Cb 0.14 -0.48 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3bdm n SER 14 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3bdm h ASP 14 N 0.00 0.00 -0.05 4.04 3.45 -1.78 -3.39 116.42 118.70 3bdm h ASP 14 Ca 0.00 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.47 3bdm h ASP 14 Cb 0.17 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 3bdm h ASP 14 CO 0.00 0.25 -0.02 0.40 -1.57 0.00 0.00 179.24 178.30 3bdm h ILE 14 N 0.00 0.93 0.00 0.35 2.04 -1.33 -2.21 117.51 117.29 3bdm h ILE 14 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3bdm h ILE 14 Cb 1.23 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3bdm h ILE 14 CO 0.03 0.00 -0.03 1.55 0.00 0.00 0.00 178.15 179.69 3bdm h PRO 144 N -0.01 0.00 -0.00 2.37 0.13 -1.77 -1.43 132.00 131.29 3bdm h PRO 144 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3bdm h PRO 144 Cb 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.18 3bdm h PRO 144 CO -0.06 0.03 -0.11 1.63 -0.23 0.00 0.00 178.00 179.26 3bdm n LYS 145 N -3.81 0.41 -3.64 0.86 5.02 -0.85 -4.66 118.16 111.48 3bdm n LYS 145 Ca -0.03 -0.11 -0.36 0.00 -2.02 0.00 0.00 58.31 55.80 3bdm n LYS 145 Cb 0.12 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.56 3bdm n LYS 145 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3bdm s THR 146 N -2.67 5.36 0.45 -0.18 2.01 -0.62 -5.00 115.64 114.99 3bdm s THR 146 Ca 0.23 0.33 0.05 0.00 0.31 0.00 0.00 61.69 62.61 3bdm s THR 146 Cb 0.20 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 69.18 3bdm s THR 146 CO 0.51 0.41 0.63 0.42 -0.69 0.00 0.00 174.62 175.90 3bdm s THR 147 N 0.49 3.23 0.44 -0.82 -4.23 -1.26 -0.99 115.64 112.50 3bdm s THR 147 Ca 0.11 -0.82 0.13 0.00 -1.18 0.00 0.00 61.69 59.93 3bdm s THR 147 Cb -0.12 -3.14 0.18 0.00 1.34 0.00 0.00 72.50 70.76 3bdm s THR 147 CO 0.01 -0.08 1.98 0.58 -0.54 0.00 0.00 174.62 176.58 3bdm h VAL 148 N 0.47 1.13 0.27 2.29 2.07 -1.98 -0.65 116.25 119.85 3bdm h VAL 148 Ca -0.43 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3bdm h VAL 148 Cb 1.28 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3bdm h VAL 148 CO 0.50 0.18 -0.13 1.56 0.02 0.00 0.00 177.57 179.70 3bdm h GLN 149 N 0.08 -0.35 -0.16 1.57 7.50 -1.98 0.28 115.11 122.05 3bdm h GLN 149 Ca 0.02 0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.24 3bdm h GLN 149 Cb 0.30 0.08 -0.06 0.00 0.05 0.00 0.00 27.48 27.85 3bdm h GLN 149 CO 0.02 0.00 -0.29 0.28 -1.50 0.00 0.00 178.83 177.34 3bdm h VAL 150 N -0.86 0.33 0.50 -0.54 2.07 -1.92 -0.14 116.25 115.69 3bdm h VAL 150 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3bdm h VAL 150 Cb 0.51 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3bdm h VAL 150 CO 0.06 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.35 3bdm h ALA 151 N 0.55 -0.77 -0.22 1.67 0.00 -1.15 -1.31 119.26 118.03 3bdm h ALA 151 Ca 0.11 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3bdm h ALA 151 Cb 0.51 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3bdm h ALA 151 CO -0.36 -0.94 0.16 1.49 0.00 0.00 0.00 179.25 179.60 3bdm h GLU 152 N -0.76 0.00 0.73 0.00 4.81 -0.29 -1.52 114.58 117.54 3bdm h GLU 152 Ca -0.06 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3bdm h GLU 152 Cb 0.62 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3bdm h GLU 152 CO 0.06 0.00 -0.35 1.49 -0.73 0.00 0.00 179.01 179.48 3bdm h GLU 153 N 0.00 -0.95 -0.68 1.92 4.81 -0.54 -1.54 114.58 117.60 3bdm h GLU 153 Ca 0.11 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.54 3bdm h GLU 153 Cb 0.42 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 29.91 3bdm h GLU 153 CO -0.00 -0.63 0.11 0.00 -0.73 0.00 0.00 179.01 177.76 3bdm h ALA 154 N -1.31 0.80 -0.36 2.92 0.00 -0.75 0.84 119.26 121.40 3bdm h ALA 154 Ca -0.10 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3bdm h ALA 154 Cb 0.75 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3bdm h ALA 154 CO 0.16 -0.35 0.15 0.82 0.00 0.00 0.00 179.25 180.03 3bdm h ILE 155 N 0.22 1.14 0.02 0.00 2.04 -1.27 0.11 117.51 119.77 3bdm h ILE 155 Ca 0.37 -0.42 -0.21 0.00 1.00 0.00 0.00 64.86 65.60 3bdm h ILE 155 Cb 0.62 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3bdm h ILE 155 CO -0.50 0.16 -0.93 0.58 0.00 0.00 0.00 178.15 177.46 3bdm h VAL 156 N 0.51 1.52 -0.40 1.67 2.07 0.15 -1.85 116.25 119.91 3bdm h VAL 156 Ca 0.13 -2.75 -0.14 0.00 0.82 0.00 0.00 66.70 64.76 3bdm h VAL 156 Cb 0.09 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 3bdm h VAL 156 CO -0.01 0.80 -0.29 -1.13 0.02 0.00 0.00 177.57 176.95 3bdm h ASN 157 N 0.09 0.95 -0.60 0.57 -0.73 -0.33 -2.44 115.58 113.09 3bdm h ASN 157 Ca -0.05 -0.44 -0.01 0.00 1.87 0.00 0.00 56.30 57.67 3bdm h ASN 157 Cb 1.59 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.88 3bdm h ASN 157 CO 0.14 1.18 0.35 0.00 -0.37 0.00 0.00 177.43 178.73 3bdm h ALA 158 N 0.79 0.77 -0.07 1.57 0.00 -0.77 -0.55 119.26 120.99 3bdm h ALA 158 Ca 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3bdm h ALA 158 Cb 0.87 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3bdm h ALA 158 CO 0.08 0.27 0.06 0.52 0.00 0.00 0.00 179.25 180.18 3bdm h MET 159 N 0.81 0.00 -0.01 0.00 2.86 -1.08 -1.02 114.93 116.49 3bdm h MET 159 Ca 0.21 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 3bdm h MET 159 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3bdm h MET 159 CO -0.04 0.00 -0.15 -0.09 1.06 0.00 0.00 176.91 177.70 3bdm h ARG 160 N 0.00 0.12 -0.64 1.72 2.43 -0.67 -2.89 114.38 114.45 3bdm h ARG 160 Ca 0.03 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3bdm h ARG 160 Cb 0.16 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 3bdm h ARG 160 CO -0.00 0.82 0.33 0.28 -1.51 0.00 0.00 179.97 179.89 3bdm h VAL 161 N -0.54 0.92 0.00 0.20 2.07 -0.64 0.90 116.25 119.15 3bdm h VAL 161 Ca -0.01 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3bdm h VAL 161 Cb 0.86 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3bdm h VAL 161 CO 0.03 0.11 -0.10 -0.07 0.02 0.00 0.00 177.57 177.55 3bdm h LEU 162 N 0.60 0.00 -0.54 2.57 3.38 -1.27 -0.76 115.31 119.29 3bdm h LEU 162 Ca 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 3bdm h LEU 162 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3bdm h LEU 162 CO -0.21 0.10 -0.35 0.22 0.09 0.00 0.00 178.44 178.30 3bdm h TYR 163 N 0.00 0.00 0.03 1.13 3.20 -0.64 0.70 116.97 121.39 3bdm h TYR 163 Ca -0.00 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 3bdm h TYR 163 Cb 0.20 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.49 3bdm h TYR 163 CO 0.00 0.35 -0.99 1.88 -1.64 0.00 0.00 178.16 177.76 3bdm h TYR 164 N 0.00 0.94 0.00 -3.82 0.05 -0.14 -3.40 116.97 110.61 3bdm h TYR 164 Ca -0.00 -0.53 0.00 0.00 0.05 0.00 0.00 58.73 58.24 3bdm h TYR 164 Cb 1.06 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.70 3bdm h TYR 164 CO 0.00 1.37 -0.74 0.54 -1.05 0.00 0.00 178.16 178.28 3bdm n ARG 165 N -3.93 2.86 -3.16 4.88 5.12 -0.88 -4.94 116.66 116.60 3bdm n ARG 165 Ca -0.11 -0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.36 3bdm n ARG 165 Cb 0.86 -0.99 -0.07 0.00 -1.16 0.00 0.00 32.46 31.09 3bdm n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3bdm s ASP 166 N -2.19 6.36 0.00 0.55 3.68 0.24 -4.92 116.67 120.39 3bdm s ASP 166 Ca 0.01 -0.02 0.12 0.00 2.13 0.00 0.00 52.55 54.79 3bdm s ASP 166 Cb 0.06 -2.30 0.57 0.00 -1.45 0.00 0.00 42.92 39.80 3bdm s ASP 166 CO 0.34 -0.58 1.34 0.00 0.13 0.00 0.00 175.17 176.39 3bdm n ALA 167 N 5.96 1.65 -1.71 3.66 0.00 -1.26 -2.60 120.51 126.20 3bdm n ALA 167 Ca -0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 3bdm n ALA 167 Cb 0.49 -1.20 0.13 0.00 0.00 0.00 0.00 19.45 18.87 3bdm n ALA 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3bdm n ARG 168 N -1.38 2.45 -4.41 0.00 5.12 -1.26 -5.04 116.66 112.14 3bdm n ARG 168 Ca 0.05 -3.60 -0.25 0.00 -1.93 0.00 0.00 57.85 52.11 3bdm n ARG 168 Cb 0.12 -1.94 -0.09 0.00 -1.16 0.00 0.00 32.46 29.38 3bdm n ARG 168 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3bdm s SER 169 N -3.14 4.04 0.23 0.55 1.04 -1.07 -4.64 113.70 110.71 3bdm s SER 169 Ca 0.46 -1.07 0.10 0.00 0.48 0.00 0.00 55.95 55.92 3bdm s SER 169 Cb 0.40 -0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 3bdm s SER 169 CO -0.01 -0.24 -0.18 -0.55 0.98 0.00 0.00 173.24 173.24 3bdm s SER 170 N -3.69 3.15 0.25 7.02 0.15 -1.26 -5.05 113.70 114.28 3bdm s SER 170 Ca 0.34 -0.99 0.11 0.00 0.70 0.00 0.00 55.95 56.11 3bdm s SER 170 Cb 0.01 -0.23 0.26 0.00 -1.71 0.00 0.00 66.02 64.35 3bdm s SER 170 CO 0.18 -0.03 1.54 -0.09 1.20 0.00 0.00 173.24 176.05 3bdm h ARG 171 N 2.57 0.00 -6.10 5.44 2.43 -1.96 -3.45 114.38 113.31 3bdm h ARG 171 Ca -0.40 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.17 3bdm h ARG 171 Cb 1.24 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3bdm h ARG 171 CO 0.58 0.66 -0.16 -0.80 -1.51 0.00 0.00 179.97 178.75 3bdm s ASN 172 N -6.72 6.85 0.33 -3.80 -0.87 -1.26 -1.60 114.94 107.88 3bdm s ASN 172 Ca -0.00 1.03 -0.07 0.00 -1.57 0.00 0.00 52.86 52.24 3bdm s ASN 172 Cb 0.11 -2.27 0.01 0.00 -0.02 0.00 0.00 41.25 39.08 3bdm s ASN 172 CO 0.76 0.28 0.54 0.72 -2.57 0.00 0.00 177.10 176.83 3bdm s PHE 173 N -1.15 0.75 0.07 2.20 -0.12 -1.01 -1.64 117.98 117.08 3bdm s PHE 173 Ca 0.27 -1.09 0.08 0.00 -0.05 0.00 0.00 56.93 56.14 3bdm s PHE 173 Cb -0.17 0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 3bdm s PHE 173 CO 0.16 -1.20 -0.21 -1.12 -0.05 0.00 0.00 175.22 172.80 3bdm s SER 174 N -3.16 2.53 0.05 1.98 0.01 -0.47 -2.05 113.70 112.58 3bdm s SER 174 Ca 0.26 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.95 3bdm s SER 174 Cb -0.01 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 3bdm s SER 174 CO 0.16 0.12 -0.09 -0.22 0.41 0.00 0.00 173.24 173.62 3bdm s LEU 175 N -1.52 2.26 -0.01 2.44 0.20 0.17 -2.06 118.68 120.16 3bdm s LEU 175 Ca 0.07 -0.57 -0.05 0.00 0.69 0.00 0.00 54.13 54.28 3bdm s LEU 175 Cb -0.09 -0.23 0.00 0.00 -0.43 0.00 0.00 46.19 45.43 3bdm s LEU 175 CO 0.03 -0.18 0.09 0.00 -0.29 0.00 0.00 176.35 176.00 3bdm s ALA 176 N -1.39 -0.22 -0.04 5.97 0.00 -0.04 0.13 121.76 126.17 3bdm s ALA 176 Ca -0.08 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.87 3bdm s ALA 176 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3bdm s ALA 176 CO 0.01 -0.14 -0.14 0.42 0.00 0.00 0.00 175.76 175.91 3bdm s ILE 177 N -0.83 1.18 -0.38 0.00 1.01 0.09 -1.53 121.20 120.74 3bdm s ILE 177 Ca -0.09 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3bdm s ILE 177 Cb -0.05 -1.03 0.11 0.00 0.01 0.00 0.00 42.46 41.49 3bdm s ILE 177 CO 0.01 0.35 0.11 -0.63 0.00 0.00 0.00 174.94 174.77 3bdm s ILE 178 N 0.21 2.10 -0.14 2.92 -1.09 -0.30 -0.74 121.20 124.16 3bdm s ILE 178 Ca -0.06 -2.42 -0.07 0.00 -2.23 0.00 0.00 60.65 55.87 3bdm s ILE 178 Cb -0.12 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3bdm s ILE 178 CO 0.02 -0.67 0.09 -0.62 -1.23 0.00 0.00 174.94 172.53 3bdm s ASP 179 N 0.73 5.92 0.51 3.58 -1.08 0.16 -1.94 116.67 124.54 3bdm s ASP 179 Ca 0.12 0.25 0.34 0.00 -0.52 0.00 0.00 52.55 52.75 3bdm s ASP 179 Cb -0.20 -1.93 1.87 0.00 -1.46 0.00 0.00 42.92 41.20 3bdm s ASP 179 CO -0.08 0.30 2.05 0.07 0.52 0.00 0.00 175.17 178.03 3bdm h LYS 180 N 5.79 0.00 0.00 4.34 2.10 -1.35 0.14 116.57 127.59 3bdm h LYS 180 Ca -0.47 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.07 3bdm h LYS 180 Cb 1.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 3bdm h LYS 180 CO 0.64 0.00 -1.21 0.09 -2.00 0.00 0.00 179.45 176.97 3bdm n ASN 181 N -2.71 1.63 0.11 7.07 3.02 -1.26 -4.66 115.26 118.46 3bdm n ASN 181 Ca -0.02 0.27 0.12 0.00 -0.03 0.00 0.00 54.58 54.92 3bdm n ASN 181 Cb 0.05 -0.62 0.45 0.00 -0.61 0.00 0.00 39.78 39.05 3bdm n ASN 181 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3bdm n THR 18 N -4.11 0.68 -2.70 3.41 -2.24 -1.22 -5.02 114.28 103.08 3bdm n THR 18 Ca -0.20 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3bdm n THR 18 Cb 0.52 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 3bdm n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdm n GLY 183 N 0.70 0.10 3.52 3.38 0.00 0.48 -4.81 105.19 108.55 3bdm n GLY 183 Ca 0.04 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 3bdm n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bdm s LEU 184 N 0.00 4.30 -0.30 0.99 0.20 -1.26 -0.67 118.68 121.94 3bdm s LEU 184 Ca 0.00 -0.36 -0.05 0.00 0.69 0.00 0.00 54.13 54.42 3bdm s LEU 184 Cb 0.00 -2.10 0.03 0.00 -0.43 0.00 0.00 46.19 43.69 3bdm s LEU 184 CO 0.00 -0.18 0.05 -0.89 -0.29 0.00 0.00 176.35 175.03 3bdm s THR 185 N 1.70 3.53 -0.37 3.68 2.01 0.08 -4.98 115.64 121.29 3bdm s THR 185 Ca 0.06 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 3bdm s THR 185 Cb -0.17 -2.91 0.06 0.00 0.01 0.00 0.00 72.50 69.49 3bdm s THR 185 CO 0.09 -0.02 0.16 0.12 -0.69 0.00 0.00 174.62 174.29 3bdm s PHE 186 N 1.39 3.32 -0.23 4.92 2.19 -1.26 -0.73 117.98 127.57 3bdm s PHE 186 Ca -0.01 -1.58 -0.15 0.00 0.33 0.00 0.00 56.93 55.53 3bdm s PHE 186 Cb -0.18 -2.61 -0.04 0.00 -1.31 0.00 0.00 43.02 38.88 3bdm s PHE 186 CO 0.01 -0.80 0.35 0.15 1.83 0.00 0.00 175.22 176.76 3bdm s LYS 187 N 1.38 4.10 0.37 10.12 1.02 0.12 -5.00 119.74 131.85 3bdm s LYS 187 Ca 0.01 0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.14 3bdm s LYS 187 Cb -0.21 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 3bdm s LYS 187 CO 0.02 -0.11 0.18 0.15 -0.92 0.00 0.00 175.35 174.67 3bdm s LYS 188 N 1.56 2.36 -1.62 1.68 1.02 -1.26 -0.65 119.74 122.83 3bdm s LYS 188 Ca 0.16 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.53 3bdm s LYS 188 Cb -0.15 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 3bdm s LYS 188 CO 0.08 0.02 0.00 0.09 -0.92 0.00 0.00 175.35 174.62 3bdm n ASN 189 N -1.22 -4.82 -4.51 2.83 4.13 -1.22 -4.97 115.26 105.46 3bdm n ASN 189 Ca -0.02 0.38 -0.29 0.00 1.68 0.00 0.00 54.58 56.33 3bdm n ASN 189 Cb 0.62 -4.08 0.24 0.00 -1.54 0.00 0.00 39.78 35.02 3bdm n ASN 189 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3bdm s LEU 190 N -3.70 1.07 0.02 3.41 1.02 -0.87 -4.80 118.68 114.84 3bdm s LEU 190 Ca 0.00 1.62 -0.06 0.00 0.02 0.00 0.00 54.13 55.71 3bdm s LEU 190 Cb 0.00 -3.58 -0.01 0.00 0.02 0.00 0.00 46.19 42.62 3bdm s LEU 190 CO 0.00 -4.11 0.10 -1.10 0.02 0.00 0.00 176.35 171.26 3bdm s GLN 191 N -4.47 0.54 -0.22 1.70 -0.21 -1.26 -2.41 119.66 113.32 3bdm s GLN 191 Ca 0.68 -0.62 -0.29 0.00 0.02 0.00 0.00 55.36 55.15 3bdm s GLN 191 Cb -0.25 0.21 0.01 0.00 1.00 0.00 0.00 33.01 33.98 3bdm s GLN 191 CO 0.64 -0.13 1.06 0.08 -2.12 0.00 0.00 175.29 174.81 3bdm s VAL 192 N -2.11 4.65 0.43 1.09 1.01 -0.63 -5.00 120.40 119.84 3bdm s VAL 192 Ca -0.09 2.00 0.06 0.00 0.00 0.00 0.00 61.98 63.94 3bdm s VAL 192 Cb -0.04 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 3bdm s VAL 192 CO -0.02 -0.17 0.01 -1.61 0.00 0.00 0.00 175.10 173.31 3bdm s GLU 193 N 3.18 1.99 -1.26 2.72 0.41 -1.26 -4.84 118.70 119.65 3bdm s GLU 193 Ca 0.45 -2.16 -0.02 0.00 -0.41 0.00 0.00 54.97 52.83 3bdm s GLU 193 Cb -0.16 -1.57 0.01 0.00 -1.78 0.00 0.00 34.13 30.63 3bdm s GLU 193 CO 0.07 -0.13 0.96 0.09 -0.49 0.00 0.00 175.26 175.76 3bdm n ASN 194 N -1.02 -2.58 -4.71 -0.19 3.02 -1.26 -4.98 115.26 103.54 3bdm n ASN 194 Ca -0.08 -0.66 -0.39 0.00 -0.03 0.00 0.00 54.58 53.42 3bdm n ASN 194 Cb 0.67 -4.82 -0.06 0.00 -0.61 0.00 0.00 39.78 34.96 3bdm n ASN 194 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3bdm s MET 195 N -5.69 4.33 -0.22 3.52 -1.94 -1.26 -5.04 119.30 113.00 3bdm s MET 195 Ca 0.11 0.55 -0.29 0.00 -1.71 0.00 0.00 55.69 54.36 3bdm s MET 195 Cb -0.05 -3.47 0.01 0.00 2.01 0.00 0.00 34.83 33.33 3bdm s MET 195 CO 0.75 0.07 1.08 0.15 -0.01 0.00 0.00 175.02 177.06 3bdm s LYS 196 N 0.89 4.25 0.00 2.03 1.02 -1.26 -4.81 119.74 121.87 3bdm s LYS 196 Ca 0.28 1.41 0.00 0.00 0.02 0.00 0.00 55.97 57.69 3bdm s LYS 196 Cb -0.16 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 3bdm s LYS 196 CO 0.12 -0.65 0.00 0.91 -0.92 0.00 0.00 175.35 174.81 3bdm n TRP 197 N 6.38 0.00 -0.30 3.18 7.02 -1.26 -4.92 117.44 127.54 3bdm n TRP 197 Ca 0.12 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.68 3bdm n TRP 197 Cb 0.46 0.00 0.18 0.00 -2.42 0.00 0.00 31.31 29.53 3bdm n TRP 197 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3bdm h ASP 198 N 0.00 -0.56 0.00 -0.99 1.82 -2.05 0.13 116.42 114.77 3bdm h ASP 198 Ca 0.00 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 3bdm h ASP 198 Cb 0.02 0.46 0.00 0.00 0.68 0.00 0.00 39.33 40.49 3bdm h ASP 198 CO 0.00 -0.27 0.13 2.19 -1.61 0.00 0.00 179.24 179.67 3bdm h PHE 199 N 0.04 0.00 -0.02 0.28 -0.00 -2.01 -2.10 116.94 113.13 3bdm h PHE 199 Ca 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 58.45 3bdm h PHE 199 Cb 0.85 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.80 3bdm h PHE 199 CO -0.54 0.00 0.08 0.00 -0.00 0.00 0.00 178.31 177.85 3bdm h ALA 200 N 1.68 1.21 -0.00 12.09 0.00 -1.13 -1.85 119.26 131.26 3bdm h ALA 200 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3bdm h ALA 200 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3bdm h ALA 200 CO 0.00 -0.09 -0.81 1.57 0.00 0.00 0.00 179.25 179.92 3bdm h LYS 201 N 0.00 0.09 -0.04 0.00 2.10 -1.58 -3.16 116.57 113.97 3bdm h LYS 201 Ca 0.01 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 3bdm h LYS 201 Cb 0.17 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 3bdm h LYS 201 CO -0.00 0.85 0.00 -0.25 -2.00 0.00 0.00 179.45 178.05 3bdm n ASP 202 N -3.64 0.39 -4.23 7.07 10.43 -0.70 -4.67 116.55 121.20 3bdm n ASP 202 Ca -0.02 -1.50 -0.39 0.00 2.57 0.00 0.00 54.79 55.45 3bdm n ASP 202 Cb 0.77 -0.02 -0.11 0.00 1.84 0.00 0.00 41.12 43.59 3bdm n ASP 202 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3bdm s ILE 203 N -1.95 3.92 0.07 0.53 1.01 -1.20 -5.07 121.20 118.50 3bdm s ILE 203 Ca 0.28 -1.49 0.08 0.00 0.00 0.00 0.00 60.65 59.52 3bdm s ILE 203 Cb 0.14 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 3bdm s ILE 203 CO 0.22 -0.48 -0.21 -1.59 0.00 0.00 0.00 174.94 172.88 3bdm s LYS 204 N 1.36 1.33 2.32 2.79 0.00 -1.26 -5.03 119.74 121.25 3bdm s LYS 204 Ca 0.03 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 54.96 3bdm s LYS 204 Cb -0.22 -1.52 0.00 0.00 0.00 0.00 0.00 37.83 36.09 3bdm s LYS 204 CO 0.01 0.38 0.00 0.41 0.00 0.00 0.00 175.35 176.14 3bdm n GLY 205 N 1.57 -0.35 0.37 0.59 0.00 -1.26 -4.60 105.19 101.51 3bdm n GLY 205 Ca -0.18 -1.03 0.02 0.00 0.00 0.00 0.00 46.02 44.83 3bdm n GLY 205 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3bdm n TYR 206 N -0.51 0.00 0.00 1.61 0.18 -1.26 -4.99 117.16 112.19 3bdm n TYR 206 Ca 0.00 -0.21 0.00 0.00 1.88 0.00 0.00 57.90 59.57 3bdm n TYR 206 Cb 0.00 -0.07 0.00 0.00 -0.38 0.00 0.00 39.34 38.89 3bdm n TYR 206 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3bdm n GLY 207 N -0.30 -1.03 0.00 -7.48 0.00 -1.26 -5.00 105.19 90.12 3bdm n GLY 207 Ca 0.03 0.45 0.07 0.00 0.00 0.00 0.00 46.02 46.57 3bdm n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bdm n THR 208 N 0.00 0.00 -2.01 2.61 -2.24 -1.26 -4.99 114.28 106.38 3bdm n THR 208 Ca 0.00 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.17 3bdm n THR 208 Cb 0.00 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 68.91 3bdm n THR 208 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3bdm s GLN 209 N -2.59 3.44 -0.06 -0.78 0.74 -1.26 -4.95 119.66 114.20 3bdm s GLN 209 Ca 0.01 2.01 0.05 0.00 0.05 0.00 0.00 55.36 57.48 3bdm s GLN 209 Cb 0.10 -2.33 -0.07 0.00 1.10 0.00 0.00 33.01 31.81 3bdm s GLN 209 CO 0.58 -0.88 0.01 1.63 -0.55 0.00 0.00 175.29 176.09 3bdm n LYS 210 N -0.76 2.80 0.00 1.67 5.02 -1.26 -4.67 118.16 120.96 3bdm n LYS 210 Ca 0.09 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.50 3bdm n LYS 210 Cb 0.46 -1.15 0.14 0.00 -0.02 0.00 0.00 35.03 34.47 3bdm n LYS 210 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32