#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dtd s LEU 43 N 0.00 4.50 -0.18 2.46 2.96 -1.26 -4.84 118.68 122.32 3dtd s LEU 43 Ca 0.00 1.97 -0.29 0.00 -0.22 0.00 0.00 54.13 55.60 3dtd s LEU 43 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3dtd s LEU 43 CO 0.00 -0.15 1.01 -0.89 -1.32 0.00 0.00 176.35 175.00 3dtd s THR 44 N -0.19 4.73 0.07 3.68 2.01 -1.26 -4.65 115.64 120.03 3dtd s THR 44 Ca 0.48 1.99 -0.09 0.00 0.31 0.00 0.00 61.69 64.38 3dtd s THR 44 Cb -0.27 -4.29 -0.06 0.00 0.01 0.00 0.00 72.50 67.89 3dtd s THR 44 CO 0.33 -0.10 0.39 -1.61 -0.69 0.00 0.00 174.62 172.93 3dtd s GLU 45 N 2.72 3.74 -0.12 4.92 2.02 -0.34 -4.93 118.70 126.71 3dtd s GLU 45 Ca 0.45 0.14 0.02 0.00 0.02 0.00 0.00 54.97 55.60 3dtd s GLU 45 Cb -0.16 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.08 3dtd s GLU 45 CO 0.10 0.57 -0.18 0.99 0.02 0.00 0.00 175.26 176.76 3dtd s THR 46 N -1.40 1.74 -0.34 3.63 2.01 -1.26 -0.74 115.64 119.29 3dtd s THR 46 Ca 0.33 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.54 3dtd s THR 46 Cb -0.14 -1.57 0.11 0.00 0.01 0.00 0.00 72.50 70.91 3dtd s THR 46 CO 0.18 0.49 0.12 -0.31 -0.69 0.00 0.00 174.62 174.41 3dtd s TYR 47 N 0.94 2.03 0.00 4.92 2.02 0.54 -5.01 117.35 122.79 3dtd s TYR 47 Ca -0.06 -2.04 0.00 0.00 -0.37 0.00 0.00 57.07 54.60 3dtd s TYR 47 Cb -0.15 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 3dtd s TYR 47 CO -0.02 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 3dtd n GLY 48 N 4.52 2.68 0.65 0.71 0.00 -1.26 -1.19 105.19 111.30 3dtd n GLY 48 Ca 0.01 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3dtd n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dtd n LEU 49 N 0.00 2.27 -4.88 0.99 4.77 0.09 -4.96 117.00 115.28 3dtd n LEU 49 Ca 0.00 -0.79 -0.34 0.00 -0.03 0.00 0.00 56.01 54.86 3dtd n LEU 49 Cb 0.00 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3dtd n LEU 49 CO 0.00 0.40 -0.18 0.26 -1.33 0.00 0.00 177.39 176.54 3dtd s TRP 50 N -2.26 3.51 0.13 -1.77 0.52 -0.33 -4.82 118.94 113.92 3dtd s TRP 50 Ca 0.24 0.35 0.09 0.00 0.02 0.00 0.00 56.10 56.80 3dtd s TRP 50 Cb 0.19 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.65 3dtd s TRP 50 CO 0.45 0.64 -0.17 -1.12 0.02 0.00 0.00 176.95 176.76 3dtd s SER 51 N -1.79 3.89 -0.08 2.95 0.01 -0.17 -0.34 113.70 118.17 3dtd s SER 51 Ca 0.25 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.94 3dtd s SER 51 Cb -0.12 -0.54 0.02 0.00 0.21 0.00 0.00 66.02 65.58 3dtd s SER 51 CO 0.16 0.16 -0.12 -0.63 0.41 0.00 0.00 173.24 173.23 3dtd s ILE 52 N -1.27 1.18 -0.01 1.44 1.01 0.09 -0.52 121.20 123.12 3dtd s ILE 52 Ca 0.19 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.42 3dtd s ILE 52 Cb -0.10 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3dtd s ILE 52 CO 0.11 0.37 -0.15 0.20 0.00 0.00 0.00 174.94 175.47 3dtd s ASN 53 N 0.95 1.82 0.00 3.58 -0.87 -0.87 -1.20 114.94 118.35 3dtd s ASN 53 Ca -0.09 -0.28 0.06 0.00 -1.57 0.00 0.00 52.86 50.98 3dtd s ASN 53 Cb -0.15 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.25 40.84 3dtd s ASN 53 CO 0.00 0.19 -0.16 0.00 -2.57 0.00 0.00 177.10 174.56 3dtd s GLY 55 N -1.15 0.14 -0.42 0.00 0.00 0.26 -4.69 107.32 101.46 3dtd s GLY 55 Ca 0.14 -0.56 -0.23 0.00 0.00 0.00 0.00 44.72 44.07 3dtd s GLY 55 CO 0.04 -0.72 0.76 -0.42 0.00 0.00 0.00 173.10 172.75 3dtd s ILE 56 N -3.09 4.70 -0.25 0.90 1.01 -1.26 0.22 121.20 123.42 3dtd s ILE 56 Ca -0.01 0.52 -0.02 0.00 0.00 0.00 0.00 60.65 61.14 3dtd s ILE 56 Cb 0.02 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.24 3dtd s ILE 56 CO -0.07 -0.61 -0.04 -1.10 0.00 0.00 0.00 174.94 173.12 3dtd s GLN 57 N 3.16 2.91 -1.27 2.79 -0.21 -0.05 -4.74 119.66 122.24 3dtd s GLN 57 Ca 0.29 -0.93 -0.03 0.00 0.02 0.00 0.00 55.36 54.70 3dtd s GLN 57 Cb -0.13 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.84 3dtd s GLN 57 CO 0.20 -0.39 0.71 0.39 -2.12 0.00 0.00 175.29 174.08 3dtd n GLU 58 N 4.70 -4.08 0.00 2.91 1.02 -1.26 -2.50 120.64 121.44 3dtd n GLU 58 Ca -0.16 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3dtd n GLU 58 Cb 0.47 -5.03 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 3dtd n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dtd n GLY 59 N -1.59 2.04 3.83 0.62 0.00 -1.26 -4.99 105.19 103.83 3dtd n GLY 59 Ca -0.26 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 3dtd n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dtd s LYS 60 N 0.00 3.91 -0.17 1.61 -0.14 -1.04 -5.03 119.74 118.87 3dtd s LYS 60 Ca 0.00 0.34 -0.29 0.00 -1.36 0.00 0.00 55.97 54.66 3dtd s LYS 60 Cb 0.00 -3.24 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 3dtd s LYS 60 CO 0.00 0.65 1.49 0.21 -0.76 0.00 0.00 175.35 176.94 3dtd s LYS 61 N -0.91 4.03 -0.18 1.68 2.20 -1.26 -0.87 119.74 124.43 3dtd s LYS 61 Ca 0.23 1.75 -0.02 0.00 -0.36 0.00 0.00 55.97 57.57 3dtd s LYS 61 Cb -0.16 -3.93 -0.01 0.00 -1.51 0.00 0.00 37.83 32.22 3dtd s LYS 61 CO 0.12 -0.99 -0.10 0.08 -0.36 0.00 0.00 175.35 174.09 3dtd s VAL 62 N 4.32 3.06 -0.11 4.02 1.01 0.13 -4.94 120.40 127.90 3dtd s VAL 62 Ca 0.65 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 3dtd s VAL 62 Cb -0.25 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3dtd s VAL 62 CO 0.24 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.73 3dtd s PHE 64 N -0.02 2.08 -0.19 0.00 -0.12 -0.07 -4.55 117.98 115.11 3dtd s PHE 64 Ca -0.02 -0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 56.44 3dtd s PHE 64 Cb -0.14 -1.04 -0.00 0.00 -0.63 0.00 0.00 43.02 41.21 3dtd s PHE 64 CO 0.04 0.42 -0.10 1.41 -0.05 0.00 0.00 175.22 176.94 3dtd s MET 65 N -2.69 3.31 0.06 1.99 1.75 0.10 -2.06 119.30 121.75 3dtd s MET 65 Ca 0.18 -0.68 -0.05 0.00 -1.25 0.00 0.00 55.69 53.89 3dtd s MET 65 Cb -0.07 -2.81 -0.02 0.00 2.84 0.00 0.00 34.83 34.77 3dtd s MET 65 CO 0.08 -0.08 0.08 -3.38 -0.65 0.00 0.00 175.02 171.07 3dtd s HIS 66 N 1.10 0.30 -0.20 4.11 -3.43 0.32 -0.13 115.29 117.37 3dtd s HIS 66 Ca 0.01 -0.73 -0.13 0.00 -0.80 0.00 0.00 55.06 53.42 3dtd s HIS 66 Cb -0.14 -0.21 0.06 0.00 -1.43 0.00 0.00 32.58 30.86 3dtd s HIS 66 CO -0.02 -0.42 0.49 0.50 -2.00 0.00 0.00 174.74 173.29 3dtd s ARG 67 N -3.40 0.50 0.14 -0.38 6.06 -0.41 -1.00 118.95 120.46 3dtd s ARG 67 Ca 0.02 0.86 0.11 0.00 -2.50 0.00 0.00 55.73 54.21 3dtd s ARG 67 Cb 0.04 0.08 -0.04 0.00 0.06 0.00 0.00 34.95 35.09 3dtd s ARG 67 CO -0.08 -0.14 -0.26 1.14 -2.50 0.00 0.00 175.30 173.46 3dtd s GLN 68 N 1.18 1.41 -0.06 5.12 -2.07 -1.26 -0.66 119.66 123.32 3dtd s GLN 68 Ca -0.07 -1.37 0.03 0.00 -1.82 0.00 0.00 55.36 52.13 3dtd s GLN 68 Cb -0.07 -1.87 -0.02 0.00 -1.09 0.00 0.00 33.01 29.96 3dtd s GLN 68 CO -0.11 0.44 -0.15 -1.21 -1.32 0.00 0.00 175.29 172.94 3dtd s GLU 69 N -2.16 2.60 0.29 9.60 0.41 0.84 -4.99 118.70 125.30 3dtd s GLU 69 Ca 0.15 -0.71 0.11 0.00 -0.41 0.00 0.00 54.97 54.11 3dtd s GLU 69 Cb -0.10 -2.39 -0.05 0.00 -1.78 0.00 0.00 34.13 29.81 3dtd s GLU 69 CO 0.07 0.56 -0.17 0.14 -0.49 0.00 0.00 175.26 175.37 3dtd s VAL 70 N -0.58 2.40 0.03 2.63 -7.23 -1.26 -1.32 120.40 115.08 3dtd s VAL 70 Ca 0.08 -2.36 -0.00 0.00 -1.81 0.00 0.00 61.98 57.89 3dtd s VAL 70 Cb -0.11 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.46 3dtd s VAL 70 CO 0.01 -0.36 0.05 -0.46 -0.31 0.00 0.00 175.10 174.03 3dtd n ASN 71 N -0.66 0.06 0.23 4.85 0.23 -0.91 -4.90 115.26 114.16 3dtd n ASN 71 Ca -0.05 -1.05 0.16 0.00 -0.53 0.00 0.00 54.58 53.11 3dtd n ASN 71 Cb 0.61 -0.03 0.63 0.00 -2.08 0.00 0.00 39.78 38.91 3dtd n ASN 71 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 3dtd h ASP 72 N -0.03 0.00 -0.44 0.53 3.04 -2.02 -1.49 116.42 116.01 3dtd h ASP 72 Ca -0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 3dtd h ASP 72 Cb 0.05 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.34 3dtd h ASP 72 CO 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.22 3dtd n GLN 73 N -2.78 2.16 -2.32 4.15 1.13 -1.26 -4.95 117.38 113.51 3dtd n GLN 73 Ca 0.01 -1.64 -0.18 0.00 -1.94 0.00 0.00 57.00 53.25 3dtd n GLN 73 Cb 0.27 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 29.20 3dtd n GLN 73 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3dtd n ASN 74 N 0.77 -5.12 -4.80 1.08 5.15 -0.56 -5.01 115.26 106.77 3dtd n ASN 74 Ca 0.15 0.10 -0.33 0.00 -0.60 0.00 0.00 54.58 53.90 3dtd n ASN 74 Cb 0.42 -4.32 -0.07 0.00 -0.53 0.00 0.00 39.78 35.28 3dtd n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dtd s ARG 75 N -4.88 3.13 -0.01 1.20 1.70 -1.26 -4.84 118.95 113.99 3dtd s ARG 75 Ca 0.00 -0.45 -0.30 0.00 -0.47 0.00 0.00 55.73 54.50 3dtd s ARG 75 Cb 0.00 -2.90 -0.06 0.00 -0.57 0.00 0.00 34.95 31.42 3dtd s ARG 75 CO 0.00 0.65 1.47 0.08 -1.08 0.00 0.00 175.30 176.42 3dtd s VAL 76 N -1.21 3.62 -0.18 4.99 1.01 -1.26 -2.14 120.40 125.23 3dtd s VAL 76 Ca 0.23 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 3dtd s VAL 76 Cb -0.12 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 3dtd s VAL 76 CO 0.14 -0.02 -0.18 0.52 0.00 0.00 0.00 175.10 175.57 3dtd n VAL 77 N 4.85 1.03 -4.01 2.92 0.31 -0.43 -4.98 118.33 118.02 3dtd n VAL 77 Ca 0.14 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.97 3dtd n VAL 77 Cb 0.43 -1.27 -0.14 0.00 -0.91 0.00 0.00 33.84 31.95 3dtd n VAL 77 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3dtd s VAL 78 N -2.36 0.21 0.04 2.52 0.11 -1.19 -3.27 120.40 116.47 3dtd s VAL 78 Ca -0.25 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 3dtd s VAL 78 Cb 0.07 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.68 3dtd s VAL 78 CO 0.40 -0.02 -0.05 0.00 -3.33 0.00 0.00 175.10 172.09 3dtd s ALA 79 N -0.28 0.38 -0.02 1.54 0.00 -0.50 -0.11 121.76 122.77 3dtd s ALA 79 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3dtd s ALA 79 Cb -0.02 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.26 3dtd s ALA 79 CO -0.00 -0.16 0.02 1.41 0.00 0.00 0.00 175.76 177.03 3dtd s MET 80 N -2.06 0.06 -0.04 0.00 1.75 0.17 0.14 119.30 119.32 3dtd s MET 80 Ca -0.08 0.15 0.03 0.00 -1.25 0.00 0.00 55.69 54.53 3dtd s MET 80 Cb -0.06 -0.31 0.00 0.00 2.84 0.00 0.00 34.83 37.30 3dtd s MET 80 CO -0.02 -0.15 -0.11 0.45 -0.65 0.00 0.00 175.02 174.54 3dtd s SER 81 N 1.03 1.44 -0.04 1.11 0.15 -0.22 -1.29 113.70 115.87 3dtd s SER 81 Ca -0.09 -0.23 -0.03 0.00 0.70 0.00 0.00 55.95 56.30 3dtd s SER 81 Cb -0.13 -0.45 0.02 0.00 -1.71 0.00 0.00 66.02 63.75 3dtd s SER 81 CO -0.03 0.07 0.10 -0.69 1.20 0.00 0.00 173.24 173.89 3dtd s VAL 82 N 0.28 -0.01 0.22 4.45 1.01 0.81 -0.97 120.40 126.18 3dtd s VAL 82 Ca -0.05 0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.08 3dtd s VAL 82 Cb -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 3dtd s VAL 82 CO 0.01 0.02 -0.23 0.68 0.00 0.00 0.00 175.10 175.58 3dtd s VAL 83 N 0.30 2.36 -0.35 2.92 -7.23 0.30 0.01 120.40 118.71 3dtd s VAL 83 Ca -0.02 -2.13 -0.13 0.00 -1.81 0.00 0.00 61.98 57.88 3dtd s VAL 83 Cb -0.03 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 3dtd s VAL 83 CO -0.01 -0.21 0.25 -0.22 -0.31 0.00 0.00 175.10 174.61 3dtd s LEU 84 N -2.91 4.65 0.65 1.32 0.20 -1.26 -1.96 118.68 119.37 3dtd s LEU 84 Ca 0.23 -0.52 -0.11 0.00 0.69 0.00 0.00 54.13 54.42 3dtd s LEU 84 Cb -0.07 -2.14 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 3dtd s LEU 84 CO 0.11 -0.28 1.05 0.20 -0.29 0.00 0.00 176.35 177.14 3dtd s ASN 85 N 1.71 5.94 0.55 3.68 0.01 0.08 -4.96 114.94 121.96 3dtd s ASN 85 Ca 0.06 1.34 0.24 0.00 -0.71 0.00 0.00 52.86 53.79 3dtd s ASN 85 Cb -0.18 -2.30 1.44 0.00 0.41 0.00 0.00 41.25 40.62 3dtd s ASN 85 CO 0.10 -1.04 2.05 0.00 -1.51 0.00 0.00 177.10 176.70 3dtd h ALA 86 N -0.44 2.21 -0.34 0.60 0.00 -1.99 -0.72 119.26 118.59 3dtd h ALA 86 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dtd h ALA 86 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3dtd h ALA 86 CO 0.62 -0.43 0.00 -0.40 0.00 0.00 0.00 179.25 179.05 3dtd n ASP 87 N -4.24 2.46 0.00 0.00 5.75 -1.26 -4.93 116.55 114.32 3dtd n ASP 87 Ca 0.05 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 3dtd n ASP 87 Cb 0.43 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3dtd n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dtd n GLY 88 N 1.28 0.66 3.79 6.12 0.00 -0.27 -5.07 105.19 111.70 3dtd n GLY 88 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3dtd n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dtd s VAL 89 N -2.52 4.53 -0.27 1.61 0.11 -1.26 -4.83 120.40 117.78 3dtd s VAL 89 Ca 0.00 1.47 -0.11 0.00 -2.93 0.00 0.00 61.98 60.42 3dtd s VAL 89 Cb 0.00 -4.02 -0.05 0.00 -1.53 0.00 0.00 36.38 30.78 3dtd s VAL 89 CO 0.00 0.51 0.17 -0.69 -3.33 0.00 0.00 175.10 171.76 3dtd s VAL 90 N -1.17 5.21 0.12 2.04 1.01 -1.20 -0.74 120.40 125.68 3dtd s VAL 90 Ca 0.34 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 3dtd s VAL 90 Cb -0.21 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3dtd s VAL 90 CO 0.23 0.28 0.02 -0.94 0.00 0.00 0.00 175.10 174.69 3dtd s SER 91 N 1.60 0.58 0.00 3.32 1.04 -0.83 -0.28 113.70 119.13 3dtd s SER 91 Ca 0.07 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3dtd s SER 91 Cb -0.15 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3dtd s SER 91 CO 0.09 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3dtd n GLY 92 N -0.08 -0.67 2.99 7.32 0.00 -0.43 -0.54 105.19 113.78 3dtd n GLY 92 Ca -0.08 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 3dtd n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dtd s ASN 93 N -4.00 0.77 -0.15 1.61 0.01 -0.14 -1.38 114.94 111.65 3dtd s ASN 93 Ca 0.00 -0.15 -0.04 0.00 -0.71 0.00 0.00 52.86 51.96 3dtd s ASN 93 Cb 0.00 -0.08 -0.03 0.00 0.41 0.00 0.00 41.25 41.55 3dtd s ASN 93 CO 0.00 0.06 -0.02 -0.22 -1.51 0.00 0.00 177.10 175.41 3dtd s LEU 94 N -0.25 3.35 -0.24 0.60 2.96 0.13 -1.06 118.68 124.16 3dtd s LEU 94 Ca 0.02 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.76 3dtd s LEU 94 Cb -0.03 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3dtd s LEU 94 CO -0.00 0.18 0.12 -0.89 -1.32 0.00 0.00 176.35 174.44 3dtd s THR 95 N 0.28 4.84 0.35 3.68 2.01 0.12 0.62 115.64 127.53 3dtd s THR 95 Ca -0.02 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.07 3dtd s THR 95 Cb -0.14 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 3dtd s THR 95 CO 0.02 0.34 0.02 0.68 -0.69 0.00 0.00 174.62 174.99 3dtd s VAL 96 N 1.35 2.59 1.00 3.82 -7.23 0.42 -1.42 120.40 120.94 3dtd s VAL 96 Ca 0.06 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.15 3dtd s VAL 96 Cb -0.15 -2.81 0.19 0.00 0.56 0.00 0.00 36.38 34.18 3dtd s VAL 96 CO 0.05 -0.18 1.08 -2.84 -0.31 0.00 0.00 175.10 172.90 3dtd s PRO 97 N -3.72 0.35 0.78 4.82 0.02 -1.20 -0.96 135.00 135.08 3dtd s PRO 97 Ca 0.35 1.03 -0.11 0.00 0.02 0.00 0.00 61.00 62.29 3dtd s PRO 97 Cb 0.00 -1.69 0.06 0.00 0.02 0.00 0.00 34.50 32.90 3dtd s PRO 97 CO 0.19 -2.93 1.09 -0.06 -0.33 0.00 0.00 177.00 174.97 3dtd s PHE 98 N -2.68 2.59 0.00 6.54 0.08 -1.26 -4.21 117.98 119.05 3dtd s PHE 98 Ca 0.66 1.53 0.00 0.00 0.12 0.00 0.00 56.93 59.24 3dtd s PHE 98 Cb -0.22 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 3dtd s PHE 98 CO 0.60 -1.80 0.00 0.41 -0.10 0.00 0.00 175.22 174.33 3dtd n GLY 99 N -1.25 0.68 3.74 4.36 0.00 -1.26 -5.04 105.19 106.42 3dtd n GLY 99 Ca 0.09 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3dtd n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dtd s ILE 100 N -2.00 5.14 -0.25 -0.61 -1.09 -1.26 -1.09 121.20 120.04 3dtd s ILE 100 Ca 0.00 0.97 -0.28 0.00 -2.23 0.00 0.00 60.65 59.10 3dtd s ILE 100 Cb 0.00 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 3dtd s ILE 100 CO 0.00 0.37 2.12 -0.22 -1.23 0.00 0.00 174.94 175.98 3dtd s LEU 101 N 0.33 3.45 0.40 2.97 2.96 0.21 -4.59 118.68 124.41 3dtd s LEU 101 Ca 0.26 1.75 0.21 0.00 -0.22 0.00 0.00 54.13 56.12 3dtd s LEU 101 Cb -0.16 -3.51 0.74 0.00 0.50 0.00 0.00 46.19 43.76 3dtd s LEU 101 CO 0.11 -1.91 1.75 0.58 -1.32 0.00 0.00 176.35 175.57 3dtd h VAL 102 N 7.08 0.73 0.00 1.68 2.07 -1.95 -3.07 116.25 122.78 3dtd h VAL 102 Ca -0.39 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 65.65 3dtd h VAL 102 Cb 1.22 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 3dtd h VAL 102 CO 0.98 0.31 -0.42 0.28 0.02 0.00 0.00 177.57 178.73 3dtd h SER 103 N 0.00 0.00 -2.98 0.57 0.02 -1.97 -3.42 113.55 105.77 3dtd h SER 103 Ca -0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 3dtd h SER 103 Cb 0.86 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 3dtd h SER 103 CO 0.04 0.42 -0.42 -0.54 -1.14 0.00 0.00 176.83 175.20 3dtd s LYS 104 N -3.15 3.52 0.76 3.45 1.02 -1.16 -5.09 119.74 119.09 3dtd s LYS 104 Ca 0.03 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.66 3dtd s LYS 104 Cb 0.08 -2.99 0.04 0.00 -0.52 0.00 0.00 37.83 34.44 3dtd s LYS 104 CO 0.72 0.58 1.08 -2.14 -0.92 0.00 0.00 175.35 174.67 3dtd s PRO 105 N -2.34 2.44 -0.26 -1.68 0.02 -1.26 -4.82 135.00 127.09 3dtd s PRO 105 Ca 0.35 0.71 -0.08 0.00 0.02 0.00 0.00 61.00 61.99 3dtd s PRO 105 Cb -0.13 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 3dtd s PRO 105 CO 0.24 -1.39 0.11 0.08 -0.33 0.00 0.00 177.00 175.70 3dtd s VAL 106 N -3.15 4.64 -0.19 3.83 1.01 0.23 -4.48 120.40 122.30 3dtd s VAL 106 Ca 0.60 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 3dtd s VAL 106 Cb -0.14 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3dtd s VAL 106 CO 0.54 0.32 0.22 -0.60 0.00 0.00 0.00 175.10 175.57 3dtd s ARG 107 N 1.62 4.20 -0.15 2.72 3.52 0.67 -1.55 118.95 129.98 3dtd s ARG 107 Ca 0.06 -0.07 -0.00 0.00 -0.13 0.00 0.00 55.73 55.59 3dtd s ARG 107 Cb -0.15 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 3dtd s ARG 107 CO 0.06 0.22 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.13 3dtd s LEU 108 N 0.56 2.67 -0.03 -0.88 1.02 0.95 -1.05 118.68 121.92 3dtd s LEU 108 Ca 0.12 -0.37 -0.00 0.00 0.02 0.00 0.00 54.13 53.89 3dtd s LEU 108 Cb -0.12 -1.61 0.03 0.00 0.02 0.00 0.00 46.19 44.50 3dtd s LEU 108 CO 0.02 0.12 0.03 -1.58 0.02 0.00 0.00 176.35 174.96 3dtd s GLN 109 N 0.61 0.04 -0.52 1.70 0.74 -0.56 -0.56 119.66 121.10 3dtd s GLN 109 Ca -0.07 0.19 -0.28 0.00 0.05 0.00 0.00 55.36 55.24 3dtd s GLN 109 Cb -0.16 -0.34 0.02 0.00 1.10 0.00 0.00 33.01 33.63 3dtd s GLN 109 CO 0.03 -0.19 1.30 0.08 -0.55 0.00 0.00 175.29 175.96 3dtd s VAL 110 N 1.22 3.95 0.00 1.34 1.01 -1.12 -0.04 120.40 126.77 3dtd s VAL 110 Ca -0.07 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3dtd s VAL 110 Cb -0.13 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.74 3dtd s VAL 110 CO -0.03 -1.11 0.00 0.47 0.00 0.00 0.00 175.10 174.43 3dtd n ASP 111 N 8.78 0.00 -0.04 3.32 8.00 -0.46 -2.51 116.55 133.64 3dtd n ASP 111 Ca 0.12 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.65 3dtd n ASP 111 Cb 0.49 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.63 3dtd n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dtd n GLU 112 N 8.37 2.16 -0.28 -1.24 1.02 -1.26 -4.78 120.64 124.63 3dtd n GLU 112 Ca 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 3dtd n GLU 112 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3dtd n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dtd n GLY 113 N -0.74 0.18 0.35 0.62 0.00 -1.04 -5.00 105.19 99.54 3dtd n GLY 113 Ca 0.05 -1.84 0.14 0.00 0.00 0.00 0.00 46.02 44.37 3dtd n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dtd n LYS 114 N -0.70 1.37 -2.50 1.61 5.02 -1.26 -4.67 118.16 117.04 3dtd n LYS 114 Ca 0.00 -0.69 -0.39 0.00 -2.02 0.00 0.00 58.31 55.20 3dtd n LYS 114 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 3dtd n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dtd s ALA 115 N -2.11 2.66 -0.15 7.82 0.00 -1.26 -4.95 121.76 123.77 3dtd s ALA 115 Ca 0.37 -2.27 0.01 0.00 0.00 0.00 0.00 51.96 50.07 3dtd s ALA 115 Cb 0.21 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.78 3dtd s ALA 115 CO 0.38 -3.74 -0.17 0.08 0.00 0.00 0.00 175.76 172.30 3dtd s VAL 116 N 5.57 2.48 -0.09 0.00 1.01 -1.26 -2.77 120.40 125.34 3dtd s VAL 116 Ca 0.50 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3dtd s VAL 116 Cb -0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3dtd s VAL 116 CO -0.06 0.52 -0.15 -0.63 0.00 0.00 0.00 175.10 174.78 3dtd s ILE 117 N 0.86 2.92 -0.18 2.22 1.01 0.27 -4.99 121.20 123.32 3dtd s ILE 117 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3dtd s ILE 117 Cb -0.15 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.16 3dtd s ILE 117 CO -0.01 0.56 -0.17 -0.70 0.00 0.00 0.00 174.94 174.62 3dtd s GLU 118 N -0.14 3.09 0.19 2.79 2.12 -1.26 -0.04 118.70 125.45 3dtd s GLU 118 Ca -0.01 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.56 3dtd s GLU 118 Cb -0.14 -2.65 -0.01 0.00 0.26 0.00 0.00 34.13 31.59 3dtd s GLU 118 CO 0.03 -0.18 0.18 -2.37 -0.54 0.00 0.00 175.26 172.39 3dtd n THR 119 N 4.58 0.00 -4.14 -1.70 5.66 -0.59 -4.98 114.28 113.10 3dtd n THR 119 Ca -0.20 -1.30 -0.10 0.00 -3.05 0.00 0.00 64.05 59.39 3dtd n THR 119 Cb 0.50 0.67 -0.09 0.00 -1.55 0.00 0.00 70.33 69.86 3dtd n THR 119 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3dtd s GLY 120 N -2.30 1.08 0.14 1.09 0.00 -1.26 0.77 107.32 106.84 3dtd s GLY 120 Ca 0.21 -1.47 -0.31 0.00 0.00 0.00 0.00 44.72 43.15 3dtd s GLY 120 CO 0.15 -1.29 1.48 -0.42 0.00 0.00 0.00 173.10 173.02 3dtd s ILE 121 N -4.08 2.98 -0.13 0.90 1.01 -1.26 -4.14 121.20 116.48 3dtd s ILE 121 Ca 0.29 0.69 -0.13 0.00 0.00 0.00 0.00 60.65 61.49 3dtd s ILE 121 Cb 0.07 -3.44 -0.26 0.00 0.01 0.00 0.00 42.46 38.84 3dtd s ILE 121 CO 0.06 0.05 0.43 -0.09 0.00 0.00 0.00 174.94 175.38 3dtd h ARG 122 N 6.86 0.22 -2.68 2.79 2.43 -1.27 -3.49 114.38 119.23 3dtd h ARG 122 Ca -0.42 -0.37 0.12 0.00 -0.81 0.00 0.00 59.98 58.49 3dtd h ARG 122 Cb 1.21 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.82 3dtd h ARG 122 CO 0.89 1.18 0.35 -0.08 -1.51 0.00 0.00 179.97 180.80 3dtd s THR 123 N -2.49 0.00 0.04 0.20 -1.32 -1.23 -5.04 115.64 105.79 3dtd s THR 123 Ca -0.22 -0.77 0.06 0.00 -1.21 0.00 0.00 61.69 59.55 3dtd s THR 123 Cb 0.06 -1.91 -0.02 0.00 -1.51 0.00 0.00 72.50 69.11 3dtd s THR 123 CO 0.74 0.00 -0.17 0.00 -2.21 0.00 0.00 174.62 172.98 3dtd s VAL 125 N -0.78 1.08 0.50 0.00 -7.23 0.18 -4.97 120.40 109.18 3dtd s VAL 125 Ca 0.05 -2.00 0.29 0.00 -1.81 0.00 0.00 61.98 58.50 3dtd s VAL 125 Cb -0.08 -2.61 0.47 0.00 0.56 0.00 0.00 36.38 34.72 3dtd s VAL 125 CO 0.01 0.00 1.86 -0.65 -0.31 0.00 0.00 175.10 176.01 3dtd h PRO 126 N 1.91 0.11 0.00 4.82 0.11 -2.04 -0.95 132.00 135.95 3dtd h PRO 126 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3dtd h PRO 126 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3dtd h PRO 126 CO 0.67 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 3dtd h ALA 127 N 1.54 1.00 0.00 -0.75 0.00 -1.99 -3.49 119.26 115.57 3dtd h ALA 127 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3dtd h ALA 127 Cb 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3dtd h ALA 127 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 3dtd n GLY 128 N 0.34 0.92 3.73 0.00 0.00 -0.36 -4.92 105.19 104.89 3dtd n GLY 128 Ca 0.02 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 3dtd n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dtd s ILE 130 N 0.50 5.23 -0.31 0.00 -1.09 0.14 -0.44 121.20 125.24 3dtd s ILE 130 Ca 0.19 0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 59.15 3dtd s ILE 130 Cb -0.14 -3.67 0.06 0.00 -1.58 0.00 0.00 42.46 37.13 3dtd s ILE 130 CO 0.06 0.25 0.01 -0.69 -1.23 0.00 0.00 174.94 173.34 3dtd s VAL 131 N 1.42 2.90 0.30 2.92 1.01 0.20 -0.64 120.40 128.52 3dtd s VAL 131 Ca 0.15 -1.51 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 3dtd s VAL 131 Cb -0.15 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 3dtd s VAL 131 CO 0.08 -0.17 1.25 -2.84 0.00 0.00 0.00 175.10 173.41 3dtd s PRO 132 N 1.21 4.44 -0.02 2.72 0.02 -1.26 0.17 135.00 142.29 3dtd s PRO 132 Ca -0.04 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.09 3dtd s PRO 132 Cb -0.20 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3dtd s PRO 132 CO -0.02 -0.08 -0.08 0.96 -0.33 0.00 0.00 177.00 177.45 3dtd s ILE 133 N -1.02 0.66 -0.09 2.83 -4.36 -0.48 -4.75 121.20 113.99 3dtd s ILE 133 Ca 0.48 -0.32 0.01 0.00 -0.26 0.00 0.00 60.65 60.57 3dtd s ILE 133 Cb -0.37 -0.58 0.02 0.00 1.25 0.00 0.00 42.46 42.78 3dtd s ILE 133 CO 0.48 0.20 -0.09 -0.69 0.24 0.00 0.00 174.94 175.08 3dtd s VAL 134 N 0.06 1.02 -0.20 8.37 1.01 -1.26 -1.31 120.40 128.08 3dtd s VAL 134 Ca -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 3dtd s VAL 134 Cb -0.06 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 3dtd s VAL 134 CO -0.00 0.35 -0.01 -0.36 0.00 0.00 0.00 175.10 175.08 3dtd s PHE 135 N 1.22 3.02 0.92 5.22 2.99 0.61 -5.01 117.98 126.95 3dtd s PHE 135 Ca -0.04 -0.53 -0.14 0.00 0.00 0.00 0.00 56.93 56.22 3dtd s PHE 135 Cb -0.14 -2.09 0.15 0.00 0.00 0.00 0.00 43.02 40.94 3dtd s PHE 135 CO -0.03 -0.29 1.18 0.16 -0.00 0.00 0.00 175.22 176.25 3dtd s ASP 136 N 1.08 3.49 0.30 1.36 1.47 -1.26 -3.23 116.67 119.87 3dtd s ASP 136 Ca 0.02 0.74 0.05 0.00 1.18 0.00 0.00 52.55 54.54 3dtd s ASP 136 Cb -0.14 -1.16 0.68 0.00 -0.34 0.00 0.00 42.92 41.96 3dtd s ASP 136 CO 0.01 -2.54 1.80 0.11 0.68 0.00 0.00 175.17 175.23 3dtd h LYS 137 N -1.50 0.82 -0.17 2.11 1.79 -1.99 -0.30 116.57 117.33 3dtd h LYS 137 Ca -0.48 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 57.77 3dtd h LYS 137 Cb 1.31 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3dtd h LYS 137 CO 0.56 0.54 -0.60 -0.91 -1.08 0.00 0.00 179.45 177.96 3dtd h ASN 138 N 0.84 0.64 0.04 0.86 -0.26 -1.99 -2.28 115.58 113.43 3dtd h ASN 138 Ca 0.54 -0.36 -0.21 0.00 -0.56 0.00 0.00 56.30 55.71 3dtd h ASN 138 Cb 0.75 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 3dtd h ASN 138 CO -0.33 1.09 -0.77 0.22 -1.06 0.00 0.00 177.43 176.58 3dtd h TYR 139 N 0.42 0.84 -0.41 1.19 5.03 -1.69 -2.53 116.97 119.82 3dtd h TYR 139 Ca -0.00 -0.38 0.04 0.00 2.58 0.00 0.00 58.73 60.97 3dtd h TYR 139 Cb 1.16 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 39.28 3dtd h TYR 139 CO 0.05 1.18 0.18 0.28 -1.32 0.00 0.00 178.16 178.53 3dtd h VAL 140 N 0.42 0.94 -0.60 1.81 2.07 -1.09 -0.70 116.25 119.11 3dtd h VAL 140 Ca -0.05 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3dtd h VAL 140 Cb 1.38 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3dtd h VAL 140 CO 0.15 0.07 0.40 0.00 0.02 0.00 0.00 177.57 178.20 3dtd h ALA 141 N 1.23 1.60 -0.31 1.67 0.00 -1.36 -1.65 119.26 120.44 3dtd h ALA 141 Ca 0.18 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3dtd h ALA 141 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dtd h ALA 141 CO -0.14 0.36 -0.45 0.00 0.00 0.00 0.00 179.25 179.02 3dtd h ALA 142 N 1.63 0.62 -0.78 0.00 0.00 -1.01 -2.91 119.26 116.82 3dtd h ALA 142 Ca 0.22 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3dtd h ALA 142 Cb -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3dtd h ALA 142 CO -0.05 0.68 0.41 -0.07 0.00 0.00 0.00 179.25 180.21 3dtd h LEU 143 N 0.64 0.98 -0.96 0.00 4.07 -0.63 -0.67 115.31 118.74 3dtd h LEU 143 Ca 0.04 -0.09 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 3dtd h LEU 143 Cb 1.03 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 3dtd h LEU 143 CO 0.10 0.80 -0.19 0.03 -1.08 0.00 0.00 178.44 178.10 3dtd h ARG 144 N 1.09 0.54 -0.00 1.13 3.08 -1.26 -3.10 114.38 115.86 3dtd h ARG 144 Ca 0.27 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3dtd h ARG 144 Cb 0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3dtd h ARG 144 CO -0.04 0.70 -0.57 0.00 -1.07 0.00 0.00 179.97 178.99 3dtd n ALA 145 N -2.48 3.75 -2.00 0.04 0.00 -1.09 -4.67 120.51 114.05 3dtd n ALA 145 Ca 0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 3dtd n ALA 145 Cb 0.37 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.85 3dtd n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dtd s GLY 146 N -2.89 1.69 -0.14 0.00 0.00 -0.28 -5.05 107.32 100.65 3dtd s GLY 146 Ca 0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 3dtd s GLY 146 CO 0.70 -0.62 -0.14 0.28 0.00 0.00 0.00 173.10 173.32 3dtd n LYS 147 N -2.66 0.34 -4.64 2.90 5.02 -1.26 -4.72 118.16 113.14 3dtd n LYS 147 Ca 0.07 0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 3dtd n LYS 147 Cb 0.59 -1.22 -0.15 0.00 -0.02 0.00 0.00 35.03 34.23 3dtd n LYS 147 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dtd s HIS 148 N -2.28 1.26 -0.51 2.13 3.76 -1.26 -0.88 115.29 117.52 3dtd s HIS 148 Ca -0.19 -0.25 -0.16 0.00 -0.15 0.00 0.00 55.06 54.31 3dtd s HIS 148 Cb 0.06 -0.82 0.10 0.00 1.11 0.00 0.00 32.58 33.03 3dtd s HIS 148 CO 0.31 -0.04 0.46 -1.17 -0.85 0.00 0.00 174.74 173.45 3dtd s LEU 149 N -0.26 5.93 0.14 0.89 2.96 0.70 -1.36 118.68 127.68 3dtd s LEU 149 Ca 0.04 -1.58 -0.30 0.00 -0.22 0.00 0.00 54.13 52.07 3dtd s LEU 149 Cb -0.06 -2.20 -0.07 0.00 0.50 0.00 0.00 46.19 44.36 3dtd s LEU 149 CO -0.00 -0.78 0.99 -0.54 -1.32 0.00 0.00 176.35 174.70 3dtd s LYS 150 N 1.65 4.70 -0.05 1.98 1.02 0.94 -0.92 119.74 129.06 3dtd s LYS 150 Ca 0.04 1.51 0.01 0.00 0.02 0.00 0.00 55.97 57.55 3dtd s LYS 150 Cb -0.27 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 3dtd s LYS 150 CO 0.05 0.22 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.14 3dtd s LEU 151 N -0.23 3.29 -0.06 3.17 2.01 -0.14 -1.50 118.68 125.23 3dtd s LEU 151 Ca 0.47 -0.00 0.00 0.00 0.01 0.00 0.00 54.13 54.61 3dtd s LEU 151 Cb -0.25 -1.77 0.02 0.00 0.01 0.00 0.00 46.19 44.20 3dtd s LEU 151 CO 0.31 0.35 -0.04 0.00 1.01 0.00 0.00 176.35 177.97 3dtd s ALA 152 N -0.88 0.81 0.33 4.21 0.00 -0.22 -4.29 121.76 121.71 3dtd s ALA 152 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 3dtd s ALA 152 Cb -0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 3dtd s ALA 152 CO 0.03 -0.16 0.45 0.00 0.00 0.00 0.00 175.76 176.08 3dtd s MET 153 N 1.25 1.84 -0.10 0.00 0.23 -0.60 -0.24 119.30 121.67 3dtd s MET 153 Ca -0.06 -1.71 0.02 0.00 -1.03 0.00 0.00 55.69 52.91 3dtd s MET 153 Cb -0.14 0.43 -0.02 0.00 -1.53 0.00 0.00 34.83 33.58 3dtd s MET 153 CO -0.02 -0.75 -0.16 0.99 -2.03 0.00 0.00 175.02 173.05 3dtd s THR 154 N -3.22 2.86 0.05 3.16 2.01 -1.26 -0.28 115.64 118.96 3dtd s THR 154 Ca 0.31 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 3dtd s THR 154 Cb 0.00 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 3dtd s THR 154 CO 0.19 0.55 0.91 -0.63 -0.69 0.00 0.00 174.62 174.95 3dtd s ILE 155 N -0.01 4.72 -1.15 1.82 1.01 0.29 0.67 121.20 128.54 3dtd s ILE 155 Ca -0.05 1.93 -0.21 0.00 0.00 0.00 0.00 60.65 62.33 3dtd s ILE 155 Cb -0.14 -4.26 0.05 0.00 0.01 0.00 0.00 42.46 38.11 3dtd s ILE 155 CO 0.04 0.27 1.63 0.00 0.00 0.00 0.00 174.94 176.88 3dtd s ALA 156 N 0.40 2.88 0.11 9.38 0.00 -0.25 -3.87 121.76 130.40 3dtd s ALA 156 Ca 0.46 -2.51 -0.12 0.00 0.00 0.00 0.00 51.96 49.80 3dtd s ALA 156 Cb -0.22 -4.59 0.01 0.00 0.00 0.00 0.00 23.12 18.33 3dtd s ALA 156 CO 0.27 -3.62 0.28 0.00 0.00 0.00 0.00 175.76 172.70 3dtd s ALA 157 N 5.20 -0.52 -0.01 0.00 0.00 -1.26 -4.90 121.76 120.26 3dtd s ALA 157 Ca 0.52 -0.38 -0.34 0.00 0.00 0.00 0.00 51.96 51.76 3dtd s ALA 157 Cb 0.01 0.59 -0.12 0.00 0.00 0.00 0.00 23.12 23.60 3dtd s ALA 157 CO -0.01 -0.57 1.78 -2.30 0.00 0.00 0.00 175.76 174.67 3dtd n PRO 158 N -0.14 2.16 0.00 0.00 -0.02 -1.26 -0.95 135.00 134.80 3dtd n PRO 158 Ca -0.15 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3dtd n PRO 158 Cb 0.63 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3dtd n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dtd n GLY 159 N 4.09 3.15 3.49 -1.23 0.00 -1.26 -4.68 105.19 108.74 3dtd n GLY 159 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 3dtd n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dtd n GLU 160 N -1.97 -1.38 -2.47 1.61 1.02 -0.12 -4.97 120.64 112.36 3dtd n GLU 160 Ca 0.00 0.92 -0.35 0.00 -0.02 0.00 0.00 57.16 57.71 3dtd n GLU 160 Cb 0.00 -4.15 -0.03 0.00 -0.02 0.00 0.00 31.44 27.24 3dtd n GLU 160 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3dtd s PRO 161 N -4.59 3.75 0.48 3.49 0.02 -1.25 -4.69 135.00 132.20 3dtd s PRO 161 Ca 0.16 1.45 -0.19 0.00 0.02 0.00 0.00 61.00 62.44 3dtd s PRO 161 Cb -0.06 -2.14 -0.09 0.00 0.02 0.00 0.00 34.50 32.24 3dtd s PRO 161 CO 0.83 -0.49 1.00 -1.25 -0.33 0.00 0.00 177.00 176.76 3dtd s PRO 162 N -3.14 3.94 -0.28 5.54 0.04 -1.26 -0.55 135.00 139.30 3dtd s PRO 162 Ca 0.67 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.92 3dtd s PRO 162 Cb -0.19 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.28 3dtd s PRO 162 CO 0.23 -0.29 -0.06 -1.17 0.04 0.00 0.00 177.00 175.75 3dtd s LEU 163 N -3.56 3.73 0.00 -3.56 2.96 0.62 -4.81 118.68 114.06 3dtd s LEU 163 Ca 0.63 -1.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 3dtd s LEU 163 Cb -0.12 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.96 3dtd s LEU 163 CO 0.21 -0.23 0.33 0.59 -1.32 0.00 0.00 176.35 175.93 3dtd n ASN 164 N 4.46 0.67 -0.73 3.68 3.02 -1.26 -1.56 115.26 123.54 3dtd n ASN 164 Ca -0.12 -0.88 0.11 0.00 -0.03 0.00 0.00 54.58 53.66 3dtd n ASN 164 Cb 0.42 0.17 0.33 0.00 -0.61 0.00 0.00 39.78 40.09 3dtd n ASN 164 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3dtd n ASP 165 N -0.17 2.19 -4.86 6.41 3.85 -1.26 -4.71 116.55 117.99 3dtd n ASP 165 Ca 0.00 -1.79 -0.33 0.00 -0.71 0.00 0.00 54.79 51.96 3dtd n ASP 165 Cb 0.03 -0.13 -0.05 0.00 -1.35 0.00 0.00 41.12 39.62 3dtd n ASP 165 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3dtd s LEU 166 N -1.59 4.25 0.21 -2.12 1.02 -1.26 -5.02 118.68 114.17 3dtd s LEU 166 Ca 0.34 0.94 -0.19 0.00 0.02 0.00 0.00 54.13 55.24 3dtd s LEU 166 Cb 0.19 -3.44 0.03 0.00 0.02 0.00 0.00 46.19 43.00 3dtd s LEU 166 CO 0.28 0.02 0.57 0.72 0.02 0.00 0.00 176.35 177.97 3dtd s PHE 167 N -1.64 -0.18 -0.14 0.29 -0.12 -1.26 -0.97 117.98 113.96 3dtd s PHE 167 Ca 0.42 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 57.15 3dtd s PHE 167 Cb -0.13 0.47 -0.00 0.00 -0.63 0.00 0.00 43.02 42.73 3dtd s PHE 167 CO 0.20 -0.97 -0.17 0.08 -0.05 0.00 0.00 175.22 174.31 3dtd s VAL 168 N -3.87 2.57 0.14 -2.49 1.01 -0.09 -4.93 120.40 112.74 3dtd s VAL 168 Ca 0.09 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 3dtd s VAL 168 Cb -0.02 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 3dtd s VAL 168 CO -0.02 0.53 1.06 -1.10 0.00 0.00 0.00 175.10 175.57 3dtd s GLN 169 N 0.65 4.61 0.00 2.72 -0.21 -1.26 -0.21 119.66 125.96 3dtd s GLN 169 Ca -0.09 1.64 0.19 0.00 0.02 0.00 0.00 55.36 57.12 3dtd s GLN 169 Cb -0.16 -3.32 0.43 0.00 1.00 0.00 0.00 33.01 30.96 3dtd s GLN 169 CO 0.02 0.09 1.36 1.28 -2.12 0.00 0.00 175.29 175.92 3dtd n LEU 170 N 2.66 3.36 -4.61 2.90 4.77 -0.05 -4.92 117.00 121.09 3dtd n LEU 170 Ca 0.03 -1.70 -0.43 0.00 -0.03 0.00 0.00 56.01 53.89 3dtd n LEU 170 Cb 0.47 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3dtd n LEU 170 CO 0.53 0.78 1.65 0.21 -1.33 0.00 0.00 177.39 179.23 3dtd s ASN 171 N -1.20 5.85 0.00 -1.43 3.84 -1.26 -1.59 114.94 119.15 3dtd s ASN 171 Ca 0.36 1.78 0.00 0.00 0.21 0.00 0.00 52.86 55.21 3dtd s ASN 171 Cb 0.20 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 3dtd s ASN 171 CO 0.27 -1.67 0.00 0.61 -2.79 0.00 0.00 177.10 173.53 3dtd n GLY 172 N 5.34 0.53 0.05 1.21 0.00 -1.26 -0.73 105.19 110.33 3dtd n GLY 172 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 3dtd n GLY 172 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dtd h PHE 173 N 0.00 0.05 -0.26 1.61 3.57 -1.54 -1.24 116.94 119.13 3dtd h PHE 173 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3dtd h PHE 173 Cb 0.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3dtd h PHE 173 CO 0.00 0.06 0.16 1.03 -2.23 0.00 0.00 178.31 177.33 3dtd h SER 174 N 0.03 0.31 -0.11 0.41 0.87 -1.83 -0.09 113.55 113.15 3dtd h SER 174 Ca 0.02 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 3dtd h SER 174 Cb 0.02 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3dtd h SER 174 CO -0.00 0.27 -0.26 0.78 -0.53 0.00 0.00 176.83 177.09 3dtd h ASN 175 N 0.33 0.57 -0.27 6.23 2.35 -1.93 -0.92 115.58 121.94 3dtd h ASN 175 Ca 0.09 -0.20 -0.14 0.00 -0.55 0.00 0.00 56.30 55.50 3dtd h ASN 175 Cb 0.02 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3dtd h ASN 175 CO -0.02 0.82 -0.34 0.00 -1.65 0.00 0.00 177.43 176.24 3dtd h ALA 176 N 1.23 0.74 -0.30 -0.83 0.00 -1.07 -2.53 119.26 116.50 3dtd h ALA 176 Ca 0.07 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3dtd h ALA 176 Cb 0.71 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3dtd h ALA 176 CO 0.05 0.66 -0.35 1.25 0.00 0.00 0.00 179.25 180.87 3dtd h LEU 177 N 0.66 0.69 -1.14 0.00 5.85 -0.77 -1.42 115.31 119.19 3dtd h LEU 177 Ca 0.07 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3dtd h LEU 177 Cb 0.88 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 3dtd h LEU 177 CO 0.08 0.97 0.59 0.78 -0.34 0.00 0.00 178.44 180.52 3dtd h ASN 178 N 0.55 1.00 -0.46 1.25 2.35 -1.15 -0.77 115.58 118.36 3dtd h ASN 178 Ca 0.06 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 3dtd h ASN 178 Cb 0.86 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3dtd h ASN 178 CO 0.07 0.71 -0.17 -0.09 -1.65 0.00 0.00 177.43 176.31 3dtd h ARG 179 N 1.17 0.95 -0.57 0.81 9.65 -1.21 -1.90 114.38 123.28 3dtd h ARG 179 Ca 0.33 -0.38 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 3dtd h ARG 179 Cb -0.09 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 3dtd h ARG 179 CO -0.08 1.04 0.21 -0.07 2.80 0.00 0.00 179.97 183.87 3dtd h LEU 180 N 0.84 0.76 -0.35 3.80 4.07 -0.79 0.13 115.31 123.77 3dtd h LEU 180 Ca 0.12 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 3dtd h LEU 180 Cb 0.73 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 3dtd h LEU 180 CO 0.06 0.69 0.01 0.40 -1.08 0.00 0.00 178.44 178.52 3dtd h ILE 181 N 0.82 1.26 -0.23 1.22 2.04 -1.05 -2.81 117.51 118.76 3dtd h ILE 181 Ca 0.19 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 3dtd h ILE 181 Cb 0.18 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3dtd h ILE 181 CO -0.02 0.32 -0.12 0.00 0.00 0.00 0.00 178.15 178.34 3dtd h ALA 182 N 0.87 1.38 0.00 1.87 0.00 -0.98 -2.75 119.26 119.65 3dtd h ALA 182 Ca 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3dtd h ALA 182 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dtd h ALA 182 CO 0.02 0.42 -0.29 -0.07 0.00 0.00 0.00 179.25 179.33 3dtd h LEU 183 N 0.35 0.00 -0.48 0.00 3.38 -0.93 -2.91 115.31 114.72 3dtd h LEU 183 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 3dtd h LEU 183 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3dtd h LEU 183 CO 0.02 0.29 -0.41 1.56 0.09 0.00 0.00 178.44 179.99 3dtd h GLN 184 N 0.00 0.80 -0.05 1.13 4.20 -1.22 -2.92 115.11 117.06 3dtd h GLN 184 Ca -0.00 -0.42 -0.11 0.00 0.06 0.00 0.00 58.65 58.18 3dtd h GLN 184 Cb 0.98 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 3dtd h GLN 184 CO 0.04 1.06 -0.46 0.87 -0.67 0.00 0.00 178.83 179.66 3dtd h LYS 185 N 0.65 0.11 0.00 1.46 1.57 -1.48 -2.19 116.57 116.69 3dtd h LYS 185 Ca 0.05 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3dtd h LYS 185 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 3dtd h LYS 185 CO 0.09 0.55 -0.15 0.93 -0.57 0.00 0.00 179.45 180.31 3dtd h GLU 186 N 0.09 0.00 0.00 3.15 5.08 -1.49 -3.40 114.58 118.01 3dtd h GLU 186 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dtd h GLU 186 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3dtd h GLU 186 CO 0.06 0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 3dtd n GLY 187 N -0.03 0.66 3.10 -3.84 0.00 -0.83 -5.11 105.19 99.14 3dtd n GLY 187 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3dtd n GLY 187 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74