#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 4.46 -0.16 2.46 2.96 -1.26 -4.83 118.68 122.30 3dtd s LEU 43 Ca 0.00 1.96 -0.29 0.00 -0.22 0.00 0.00 54.13 55.57 3dtd s LEU 43 Cb 0.00 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 3dtd s LEU 43 CO 0.00 -0.23 1.09 -0.89 -1.32 0.00 0.00 176.35 174.99 3dtd s THR 44 N 0.19 4.59 0.16 3.68 2.01 -1.26 -4.67 115.64 120.34 3dtd s THR 44 Ca 0.51 1.90 -0.07 0.00 0.31 0.00 0.00 61.69 64.34 3dtd s THR 44 Cb -0.27 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 67.96 3dtd s THR 44 CO 0.32 -0.09 0.43 -1.61 -0.69 0.00 0.00 174.62 172.97 3dtd s GLU 45 N 2.76 3.69 -0.10 4.92 2.02 -0.45 -4.93 118.70 126.61 3dtd s GLU 45 Ca 0.49 0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.54 3dtd s GLU 45 Cb -0.18 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.25 3dtd s GLU 45 CO 0.13 0.44 -0.13 0.99 0.02 0.00 0.00 175.26 176.71 3dtd s THR 46 N -1.66 1.34 -0.31 3.63 2.01 -1.26 -1.06 115.64 118.33 3dtd s THR 46 Ca 0.41 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.87 3dtd s THR 46 Cb -0.12 -1.25 0.10 0.00 0.01 0.00 0.00 72.50 71.24 3dtd s THR 46 CO 0.23 0.41 0.08 -0.31 -0.69 0.00 0.00 174.62 174.34 3dtd s TYR 47 N 1.09 2.12 0.00 4.92 2.02 0.27 -5.02 117.35 122.75 3dtd s TYR 47 Ca -0.05 -1.97 0.00 0.00 -0.37 0.00 0.00 57.07 54.67 3dtd s TYR 47 Cb -0.14 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 3dtd s TYR 47 CO -0.02 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.48 3dtd n GLY 48 N 4.73 2.53 0.51 0.71 0.00 -1.26 -1.13 105.19 111.28 3dtd n GLY 48 Ca -0.01 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 2.03 -4.90 0.99 4.77 -0.00 -4.96 117.00 114.92 3dtd n LEU 49 Ca 0.00 -0.74 -0.33 0.00 -0.03 0.00 0.00 56.01 54.92 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 0.37 -0.08 0.26 -1.33 0.00 0.00 177.39 176.61 3dtd s TRP 50 N -2.44 3.53 0.18 -1.77 0.52 -0.28 -4.83 118.94 113.85 3dtd s TRP 50 Ca 0.20 0.44 0.11 0.00 0.02 0.00 0.00 56.10 56.86 3dtd s TRP 50 Cb 0.18 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 3dtd s TRP 50 CO 0.55 0.57 -0.20 -1.12 0.02 0.00 0.00 176.95 176.76 3dtd s SER 51 N -2.17 3.67 -0.06 2.95 0.01 -0.19 -0.56 113.70 117.34 3dtd s SER 51 Ca 0.33 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.84 3dtd s SER 51 Cb -0.13 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.73 3dtd s SER 51 CO 0.22 0.12 -0.10 -0.63 0.41 0.00 0.00 173.24 173.26 3dtd s ILE 52 N -1.62 0.99 0.00 1.44 1.01 -0.23 -0.68 121.20 122.11 3dtd s ILE 52 Ca 0.21 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.52 3dtd s ILE 52 Cb -0.08 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 3dtd s ILE 52 CO 0.11 0.33 -0.14 0.20 0.00 0.00 0.00 174.94 175.43 3dtd s ASN 53 N 0.78 1.70 0.16 3.58 -0.87 -0.82 -1.34 114.94 118.14 3dtd s ASN 53 Ca -0.13 -0.31 0.10 0.00 -1.57 0.00 0.00 52.86 50.95 3dtd s ASN 53 Cb -0.15 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.25 40.87 3dtd s ASN 53 CO 0.02 0.14 -0.17 0.00 -2.57 0.00 0.00 177.10 174.52 3dtd s GLY 55 N -2.52 0.24 -0.14 0.00 0.00 -0.67 -4.70 107.32 99.53 3dtd s GLY 55 Ca 0.21 -0.52 -0.10 0.00 0.00 0.00 0.00 44.72 44.31 3dtd s GLY 55 CO 0.12 1.83 0.19 -0.26 0.00 0.00 0.00 173.10 174.97 3dtd s ILE 56 N -2.08 5.40 0.00 0.90 -4.36 -1.26 -0.40 121.20 119.40 3dtd s ILE 56 Ca 0.21 0.32 0.00 0.00 -0.26 0.00 0.00 60.65 60.92 3dtd s ILE 56 Cb -0.04 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.19 3dtd s ILE 56 CO 0.08 0.53 0.01 0.00 0.24 0.00 0.00 174.94 175.80 3dtd n GLN 57 N 2.63 0.76 -1.11 0.37 6.02 -1.26 -4.98 117.38 119.82 3dtd n GLN 57 Ca -0.17 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 3dtd n GLN 57 Cb 0.53 -0.16 0.00 0.00 1.02 0.00 0.00 30.24 31.63 3dtd n GLN 57 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3dtd n LYS 60 N -0.11 0.00 -2.46 -1.09 4.81 -1.26 -5.01 118.16 113.03 3dtd n LYS 60 Ca 0.00 0.47 -0.43 0.00 -0.87 0.00 0.00 58.31 57.48 3dtd n LYS 60 Cb 0.04 -0.64 -0.02 0.00 0.02 0.00 0.00 35.03 34.43 3dtd n LYS 60 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3dtd s LYS 61 N -1.56 3.58 -0.20 1.64 2.20 -1.26 -4.90 119.74 119.24 3dtd s LYS 61 Ca 0.00 0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 56.28 3dtd s LYS 61 Cb 0.00 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 3dtd s LYS 61 CO 0.00 -1.56 -0.11 0.54 -0.36 0.00 0.00 175.35 173.86 3dtd s VAL 62 N 5.15 2.84 -0.16 4.02 0.11 0.46 -4.94 120.40 127.87 3dtd s VAL 62 Ca 0.54 -0.68 -0.07 0.00 -2.93 0.00 0.00 61.98 58.85 3dtd s VAL 62 Cb -0.10 -2.26 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 3dtd s VAL 62 CO 0.31 0.47 0.06 0.00 -3.33 0.00 0.00 175.10 172.61 3dtd s PHE 64 N 0.10 1.84 -0.14 0.00 -0.12 -0.08 -4.53 117.98 115.04 3dtd s PHE 64 Ca 0.05 -0.46 0.01 0.00 -0.05 0.00 0.00 56.93 56.47 3dtd s PHE 64 Cb -0.12 -0.92 -0.00 0.00 -0.63 0.00 0.00 43.02 41.35 3dtd s PHE 64 CO 0.01 0.34 -0.16 1.41 -0.05 0.00 0.00 175.22 176.77 3dtd s MET 65 N -2.79 3.24 0.05 1.99 1.75 0.56 -1.94 119.30 122.15 3dtd s MET 65 Ca 0.16 -0.75 -0.09 0.00 -1.25 0.00 0.00 55.69 53.76 3dtd s MET 65 Cb -0.06 -2.60 0.00 0.00 2.84 0.00 0.00 34.83 35.02 3dtd s MET 65 CO 0.07 0.08 0.18 -3.38 -0.65 0.00 0.00 175.02 171.32 3dtd s HIS 66 N 0.66 0.09 -0.16 4.11 -3.43 0.14 0.07 115.29 116.77 3dtd s HIS 66 Ca -0.08 -0.37 -0.10 0.00 -0.80 0.00 0.00 55.06 53.71 3dtd s HIS 66 Cb -0.16 -0.05 0.05 0.00 -1.43 0.00 0.00 32.58 30.99 3dtd s HIS 66 CO 0.02 -0.45 0.40 0.50 -2.00 0.00 0.00 174.74 173.22 3dtd s ARG 67 N -2.85 0.41 -0.00 -0.38 6.06 -0.42 -1.02 118.95 120.74 3dtd s ARG 67 Ca -0.03 0.71 0.04 0.00 -2.50 0.00 0.00 55.73 53.95 3dtd s ARG 67 Cb 0.00 0.04 -0.03 0.00 0.06 0.00 0.00 34.95 35.02 3dtd s ARG 67 CO -0.05 -0.13 -0.11 -0.65 -2.50 0.00 0.00 175.30 171.85 3dtd s GLN 68 N 1.05 2.43 -0.07 5.12 -0.21 -1.26 -0.82 119.66 125.90 3dtd s GLN 68 Ca -0.07 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.57 3dtd s GLN 68 Cb -0.07 -2.40 -0.02 0.00 1.00 0.00 0.00 33.01 31.52 3dtd s GLN 68 CO -0.09 0.60 -0.15 -1.21 -2.12 0.00 0.00 175.29 172.32 3dtd s GLU 69 N -1.24 2.75 0.28 2.91 0.41 0.81 -5.00 118.70 119.62 3dtd s GLU 69 Ca 0.15 -0.71 0.12 0.00 -0.41 0.00 0.00 54.97 54.12 3dtd s GLU 69 Cb -0.11 -2.43 -0.05 0.00 -1.78 0.00 0.00 34.13 29.76 3dtd s GLU 69 CO 0.05 0.50 -0.17 0.14 -0.49 0.00 0.00 175.26 175.29 3dtd s VAL 70 N -0.40 2.58 0.00 2.63 -7.23 -1.26 -1.34 120.40 115.38 3dtd s VAL 70 Ca 0.04 -2.33 0.00 0.00 -1.81 0.00 0.00 61.98 57.88 3dtd s VAL 70 Cb -0.12 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.43 3dtd s VAL 70 CO 0.02 -0.38 0.00 -0.46 -0.31 0.00 0.00 175.10 173.97 3dtd n ASN 71 N -0.67 0.00 0.27 4.85 0.23 -1.09 -4.90 115.26 113.95 3dtd n ASN 71 Ca -0.05 -0.96 0.15 0.00 -0.53 0.00 0.00 54.58 53.19 3dtd n ASN 71 Cb 0.60 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 39.02 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 0.00 0.00 -0.50 0.53 3.04 -2.02 -1.86 116.42 115.61 3dtd h ASP 72 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3dtd h ASP 72 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3dtd h ASP 72 CO 0.00 0.08 0.00 0.00 -2.04 0.00 0.00 179.24 177.28 3dtd n GLN 73 N -3.28 2.48 -1.89 4.15 10.64 -1.26 -4.95 117.38 123.26 3dtd n GLN 73 Ca -0.01 -1.92 -0.10 0.00 -1.83 0.00 0.00 57.00 53.15 3dtd n GLN 73 Cb 0.29 -1.52 -0.02 0.00 -0.86 0.00 0.00 30.24 28.13 3dtd n GLN 73 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3dtd n ASN 74 N 0.91 -3.54 -4.49 2.61 3.02 -0.70 -5.02 115.26 108.05 3dtd n ASN 74 Ca 0.18 0.07 -0.34 0.00 -0.03 0.00 0.00 54.58 54.46 3dtd n ASN 74 Cb 0.52 -2.51 -0.12 0.00 -0.61 0.00 0.00 39.78 37.06 3dtd n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dtd s ARG 75 N -3.95 3.30 0.11 3.52 1.70 -1.26 -4.84 118.95 117.53 3dtd s ARG 75 Ca 0.00 -0.57 -0.31 0.00 -0.47 0.00 0.00 55.73 54.38 3dtd s ARG 75 Cb 0.00 -2.74 -0.10 0.00 -0.57 0.00 0.00 34.95 31.55 3dtd s ARG 75 CO 0.00 0.37 1.76 0.08 -1.08 0.00 0.00 175.30 176.43 3dtd s VAL 76 N -0.02 2.70 -0.17 4.99 1.01 -1.26 -2.66 120.40 124.99 3dtd s VAL 76 Ca -0.00 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 3dtd s VAL 76 Cb -0.14 -3.13 -0.11 0.00 0.00 0.00 0.00 36.38 33.00 3dtd s VAL 76 CO 0.03 0.00 -0.16 0.52 0.00 0.00 0.00 175.10 175.49 3dtd n VAL 77 N 4.70 0.96 -3.91 2.92 0.31 -0.45 -4.97 118.33 117.89 3dtd n VAL 77 Ca 0.17 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 3dtd n VAL 77 Cb 0.39 -1.17 -0.14 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.33 0.07 0.06 2.52 0.11 -1.18 -3.14 120.40 116.50 3dtd s VAL 78 Ca -0.23 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 58.83 3dtd s VAL 78 Cb 0.06 -0.08 -0.03 0.00 -1.53 0.00 0.00 36.38 34.80 3dtd s VAL 78 CO 0.38 0.03 -0.08 0.00 -3.33 0.00 0.00 175.10 172.09 3dtd s ALA 79 N 0.09 0.74 -0.02 1.54 0.00 -0.09 -0.14 121.76 123.88 3dtd s ALA 79 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3dtd s ALA 79 Cb -0.02 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.18 3dtd s ALA 79 CO -0.00 -0.04 0.01 1.41 0.00 0.00 0.00 175.76 177.14 3dtd s MET 80 N -2.08 0.17 -0.03 0.00 1.75 -0.00 0.79 119.30 119.91 3dtd s MET 80 Ca -0.04 0.10 0.03 0.00 -1.25 0.00 0.00 55.69 54.53 3dtd s MET 80 Cb -0.07 -0.37 0.00 0.00 2.84 0.00 0.00 34.83 37.23 3dtd s MET 80 CO -0.00 -0.13 -0.11 0.45 -0.65 0.00 0.00 175.02 174.58 3dtd s SER 81 N 0.96 1.40 -0.02 1.11 0.15 0.07 -1.29 113.70 116.08 3dtd s SER 81 Ca -0.09 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.32 3dtd s SER 81 Cb -0.13 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 3dtd s SER 81 CO -0.02 0.09 0.05 -0.69 1.20 0.00 0.00 173.24 173.87 3dtd s VAL 82 N 0.13 -0.01 0.26 4.45 1.01 0.11 -0.93 120.40 125.42 3dtd s VAL 82 Ca -0.03 0.04 0.12 0.00 0.00 0.00 0.00 61.98 62.11 3dtd s VAL 82 Cb -0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 3dtd s VAL 82 CO 0.01 0.01 -0.20 0.68 0.00 0.00 0.00 175.10 175.60 3dtd s VAL 83 N 0.22 2.48 -0.26 2.92 -7.23 0.67 -0.32 120.40 118.87 3dtd s VAL 83 Ca -0.02 -2.32 -0.12 0.00 -1.81 0.00 0.00 61.98 57.72 3dtd s VAL 83 Cb -0.02 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 3dtd s VAL 83 CO -0.01 -0.34 0.23 -0.22 -0.31 0.00 0.00 175.10 174.45 3dtd s LEU 84 N -3.34 4.05 0.66 1.32 0.20 -1.26 -2.15 118.68 118.17 3dtd s LEU 84 Ca 0.28 0.10 -0.06 0.00 0.69 0.00 0.00 54.13 55.15 3dtd s LEU 84 Cb -0.06 -2.19 0.05 0.00 -0.43 0.00 0.00 46.19 43.56 3dtd s LEU 84 CO 0.14 -0.05 0.96 0.20 -0.29 0.00 0.00 176.35 177.32 3dtd s ASN 85 N 1.53 5.04 0.40 3.68 0.01 -0.39 -4.98 114.94 120.23 3dtd s ASN 85 Ca 0.09 0.46 0.08 0.00 -0.71 0.00 0.00 52.86 52.79 3dtd s ASN 85 Cb -0.15 -1.22 0.83 0.00 0.41 0.00 0.00 41.25 41.12 3dtd s ASN 85 CO 0.09 -1.43 2.00 0.00 -1.51 0.00 0.00 177.10 176.25 3dtd h ALA 86 N -0.43 1.62 -0.39 0.60 0.00 -1.99 -2.04 119.26 116.63 3dtd h ALA 86 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3dtd h ALA 86 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3dtd h ALA 86 CO 0.60 0.30 0.00 -0.40 0.00 0.00 0.00 179.25 179.74 3dtd n ASP 87 N -4.39 3.50 0.00 0.00 5.75 -1.26 -4.92 116.55 115.23 3dtd n ASP 87 Ca 0.01 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 3dtd n ASP 87 Cb 0.15 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 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 0.64 0.81 3.76 6.12 0.00 -0.77 -5.03 105.19 110.72 3dtd n GLY 88 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.16 4.62 -0.30 1.61 0.11 -1.26 -4.82 120.40 117.20 3dtd s VAL 89 Ca 0.00 1.64 -0.12 0.00 -2.93 0.00 0.00 61.98 60.57 3dtd s VAL 89 Cb 0.00 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 3dtd s VAL 89 CO 0.00 0.42 0.22 -0.69 -3.33 0.00 0.00 175.10 171.72 3dtd s VAL 90 N -0.44 5.29 0.15 2.04 1.01 -1.19 -1.26 120.40 126.01 3dtd s VAL 90 Ca 0.37 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 3dtd s VAL 90 Cb -0.21 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3dtd s VAL 90 CO 0.24 0.14 0.05 -0.94 0.00 0.00 0.00 175.10 174.59 3dtd s SER 91 N 1.74 0.58 0.00 3.32 1.04 -0.91 0.21 113.70 119.68 3dtd s SER 91 Ca 0.07 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.28 3dtd s SER 91 Cb -0.17 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3dtd s SER 91 CO 0.11 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3dtd n GLY 92 N -0.16 -0.71 3.03 7.32 0.00 -0.15 -0.23 105.19 114.28 3dtd n GLY 92 Ca -0.05 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 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 0.94 -0.13 1.61 0.01 -0.11 -1.32 114.94 111.93 3dtd s ASN 93 Ca 0.00 -0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 51.86 3dtd s ASN 93 Cb 0.00 -0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.57 3dtd s ASN 93 CO 0.00 0.01 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.31 3dtd s LEU 94 N -0.64 3.09 -0.26 0.60 2.96 0.16 -0.75 118.68 123.83 3dtd s LEU 94 Ca -0.01 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 3dtd s LEU 94 Cb -0.05 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3dtd s LEU 94 CO 0.00 0.21 0.08 -0.89 -1.32 0.00 0.00 176.35 174.43 3dtd s THR 95 N 0.12 4.35 0.35 3.68 2.01 0.24 0.31 115.64 126.70 3dtd s THR 95 Ca -0.03 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 61.86 3dtd s THR 95 Cb -0.14 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 3dtd s THR 95 CO 0.03 0.30 0.07 0.68 -0.69 0.00 0.00 174.62 175.02 3dtd s VAL 96 N 1.61 2.71 1.09 3.82 -7.23 0.36 -0.91 120.40 121.85 3dtd s VAL 96 Ca 0.06 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 3dtd s VAL 96 Cb -0.15 -2.88 0.24 0.00 0.56 0.00 0.00 36.38 34.15 3dtd s VAL 96 CO 0.04 -0.17 1.06 -2.84 -0.31 0.00 0.00 175.10 172.88 3dtd s PRO 97 N -3.78 -0.32 0.78 4.82 0.02 -1.19 -0.88 135.00 134.45 3dtd s PRO 97 Ca 0.36 0.84 -0.11 0.00 0.02 0.00 0.00 61.00 62.12 3dtd s PRO 97 Cb -0.00 -1.62 0.06 0.00 0.02 0.00 0.00 34.50 32.95 3dtd s PRO 97 CO 0.21 -3.33 1.08 -0.06 -0.33 0.00 0.00 177.00 174.57 3dtd s PHE 98 N -2.61 2.74 0.00 6.54 0.08 -1.26 -4.24 117.98 119.23 3dtd s PHE 98 Ca 0.67 1.39 0.00 0.00 0.12 0.00 0.00 56.93 59.11 3dtd s PHE 98 Cb -0.23 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 3dtd s PHE 98 CO 0.62 -1.72 0.00 0.41 -0.10 0.00 0.00 175.22 174.43 3dtd n GLY 99 N -1.60 0.61 3.75 4.36 0.00 -1.26 -5.04 105.19 106.01 3dtd n GLY 99 Ca 0.08 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 5.04 -0.24 -0.61 -1.09 -1.26 -1.29 121.20 119.75 3dtd s ILE 100 Ca 0.00 1.11 -0.29 0.00 -2.23 0.00 0.00 60.65 59.24 3dtd s ILE 100 Cb 0.00 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 3dtd s ILE 100 CO 0.00 0.39 1.92 -0.22 -1.23 0.00 0.00 174.94 175.80 3dtd s LEU 101 N 0.11 3.63 0.32 2.97 2.96 0.23 -4.57 118.68 124.33 3dtd s LEU 101 Ca 0.29 1.68 0.15 0.00 -0.22 0.00 0.00 54.13 56.02 3dtd s LEU 101 Cb -0.17 -3.52 0.50 0.00 0.50 0.00 0.00 46.19 43.50 3dtd s LEU 101 CO 0.14 -1.66 1.66 0.58 -1.32 0.00 0.00 176.35 175.75 3dtd h VAL 102 N 6.71 1.12 0.00 1.68 2.07 -1.95 -3.08 116.25 122.80 3dtd h VAL 102 Ca -0.38 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3dtd h VAL 102 Cb 1.20 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3dtd h VAL 102 CO 0.99 0.48 -0.01 0.77 0.02 0.00 0.00 177.57 179.83 3dtd h SER 103 N 0.00 0.00 -2.88 0.57 4.64 -1.97 -3.42 113.55 110.49 3dtd h SER 103 Ca -0.00 -0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3dtd h SER 103 Cb 1.02 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.07 3dtd h SER 103 CO 0.06 0.00 -0.44 -0.54 -0.87 0.00 0.00 176.83 175.04 3dtd s LYS 104 N -3.16 3.50 0.76 4.77 1.02 -1.16 -5.09 119.74 120.37 3dtd s LYS 104 Ca 0.09 -0.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.73 3dtd s LYS 104 Cb 0.09 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.38 3dtd s LYS 104 CO 0.64 0.64 1.08 -2.14 -0.92 0.00 0.00 175.35 174.65 3dtd s PRO 105 N -2.01 2.44 -0.25 -1.68 0.02 -1.26 -4.81 135.00 127.46 3dtd s PRO 105 Ca 0.29 0.79 -0.08 0.00 0.02 0.00 0.00 61.00 62.02 3dtd s PRO 105 Cb -0.13 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3dtd s PRO 105 CO 0.19 -1.41 0.10 0.08 -0.33 0.00 0.00 177.00 175.64 3dtd s VAL 106 N -3.10 4.70 -0.15 3.83 1.01 0.15 -4.45 120.40 122.40 3dtd s VAL 106 Ca 0.60 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 3dtd s VAL 106 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3dtd s VAL 106 CO 0.55 0.33 0.04 -0.13 0.00 0.00 0.00 175.10 175.89 3dtd s ARG 107 N 1.42 3.65 -0.13 2.72 3.00 0.57 -1.58 118.95 128.60 3dtd s ARG 107 Ca 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 55.73 55.41 3dtd s ARG 107 Cb -0.15 -3.06 -0.02 0.00 0.00 0.00 0.00 34.95 31.72 3dtd s ARG 107 CO 0.05 0.41 -0.12 -0.51 0.00 0.00 0.00 175.30 175.14 3dtd s LEU 108 N -0.05 2.77 -0.02 2.53 1.02 0.91 -1.20 118.68 124.65 3dtd s LEU 108 Ca 0.05 -0.31 -0.00 0.00 0.02 0.00 0.00 54.13 53.89 3dtd s LEU 108 Cb -0.12 -1.63 0.02 0.00 0.02 0.00 0.00 46.19 44.48 3dtd s LEU 108 CO 0.01 0.16 0.03 -1.58 0.02 0.00 0.00 176.35 175.00 3dtd s GLN 109 N 0.38 -0.01 -0.48 1.70 0.74 -0.41 -0.87 119.66 120.71 3dtd s GLN 109 Ca -0.10 0.15 -0.25 0.00 0.05 0.00 0.00 55.36 55.21 3dtd s GLN 109 Cb -0.16 -0.16 0.03 0.00 1.10 0.00 0.00 33.01 33.82 3dtd s GLN 109 CO 0.05 -0.12 0.92 0.08 -0.55 0.00 0.00 175.29 175.68 3dtd s VAL 110 N 0.75 4.47 0.00 1.34 1.01 -1.26 0.67 120.40 127.37 3dtd s VAL 110 Ca -0.06 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3dtd s VAL 110 Cb -0.09 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.84 3dtd s VAL 110 CO -0.02 -0.88 0.00 0.47 0.00 0.00 0.00 175.10 174.67 3dtd n ASP 111 N 7.20 0.00 -0.63 3.32 8.00 -0.72 -2.35 116.55 131.37 3dtd n ASP 111 Ca 0.05 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.62 3dtd n ASP 111 Cb 0.48 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.69 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 12.78 1.68 -1.06 -1.24 1.02 -1.26 -4.83 120.64 127.73 3dtd n GLU 112 Ca 0.00 -1.66 -0.29 0.00 -0.02 0.00 0.00 57.16 55.20 3dtd n GLU 112 Cb 0.00 -1.28 0.18 0.00 -0.02 0.00 0.00 31.44 30.32 3dtd n GLU 112 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3dtd s GLY 113 N -1.06 1.57 0.00 0.62 0.00 -0.99 -5.00 107.32 102.45 3dtd s GLY 113 Ca 0.21 -0.27 0.15 0.00 0.00 0.00 0.00 44.72 44.81 3dtd s GLY 113 CO 0.18 0.34 0.78 0.28 0.00 0.00 0.00 173.10 174.68 3dtd n LYS 114 N -4.27 1.83 -2.31 2.90 5.02 -1.26 -4.78 118.16 115.29 3dtd n LYS 114 Ca 0.05 -0.60 -0.42 0.00 -2.02 0.00 0.00 58.31 55.31 3dtd n LYS 114 Cb 0.56 -1.24 -0.02 0.00 -0.02 0.00 0.00 35.03 34.31 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 -1.96 2.91 -0.02 7.82 0.00 -1.26 -4.95 121.76 124.30 3dtd s ALA 115 Ca 0.11 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3dtd s ALA 115 Cb 0.12 -4.01 0.01 0.00 0.00 0.00 0.00 23.12 19.24 3dtd s ALA 115 CO 0.44 -2.65 -0.04 0.08 0.00 0.00 0.00 175.76 173.59 3dtd s VAL 116 N 5.95 0.41 -0.13 0.00 1.01 -1.26 -4.28 120.40 122.09 3dtd s VAL 116 Ca 0.61 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3dtd s VAL 116 Cb -0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3dtd s VAL 116 CO 0.30 0.16 -0.00 -0.63 0.00 0.00 0.00 175.10 174.93 3dtd s ILE 117 N 0.46 4.25 -0.20 2.22 1.01 -0.05 -4.98 121.20 123.91 3dtd s ILE 117 Ca -0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 3dtd s ILE 117 Cb -0.09 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3dtd s ILE 117 CO -0.00 0.54 -0.01 -0.70 0.00 0.00 0.00 174.94 174.77 3dtd s GLU 118 N -0.21 3.60 0.07 2.79 2.12 -1.26 -0.06 118.70 125.74 3dtd s GLU 118 Ca 0.05 -0.53 -0.00 0.00 0.36 0.00 0.00 54.97 54.85 3dtd s GLU 118 Cb -0.12 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3dtd s GLU 118 CO 0.02 0.01 0.09 -2.37 -0.54 0.00 0.00 175.26 172.47 3dtd n THR 119 N 4.26 0.00 -4.08 -1.70 5.66 -0.61 -5.00 114.28 112.81 3dtd n THR 119 Ca -0.17 -0.33 -0.11 0.00 -3.05 0.00 0.00 64.05 60.39 3dtd n THR 119 Cb 0.52 0.20 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 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 -1.40 1.05 0.08 1.09 0.00 -1.26 0.32 107.32 107.20 3dtd s GLY 120 Ca 0.05 -1.29 -0.31 0.00 0.00 0.00 0.00 44.72 43.18 3dtd s GLY 120 CO 0.04 -0.95 1.33 -0.42 0.00 0.00 0.00 173.10 173.10 3dtd s ILE 121 N -3.83 3.60 -0.13 0.90 1.01 -1.26 -4.10 121.20 117.39 3dtd s ILE 121 Ca 0.29 1.13 -0.15 0.00 0.00 0.00 0.00 60.65 61.92 3dtd s ILE 121 Cb 0.02 -3.72 -0.25 0.00 0.01 0.00 0.00 42.46 38.51 3dtd s ILE 121 CO 0.13 0.07 0.43 -0.09 0.00 0.00 0.00 174.94 175.48 3dtd h ARG 122 N 6.96 0.19 -2.75 2.79 2.43 -1.35 -3.49 114.38 119.16 3dtd h ARG 122 Ca -0.41 -0.33 0.10 0.00 -0.81 0.00 0.00 59.98 58.53 3dtd h ARG 122 Cb 1.21 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.81 3dtd h ARG 122 CO 0.85 1.16 0.32 -0.08 -1.51 0.00 0.00 179.97 180.71 3dtd s THR 123 N -2.47 0.00 0.06 0.20 -1.32 -1.23 -5.04 115.64 105.84 3dtd s THR 123 Ca -0.23 -0.80 0.08 0.00 -1.21 0.00 0.00 61.69 59.53 3dtd s THR 123 Cb 0.05 -1.91 -0.03 0.00 -1.51 0.00 0.00 72.50 69.10 3dtd s THR 123 CO 0.73 0.00 -0.21 0.00 -2.21 0.00 0.00 174.62 172.92 3dtd s VAL 125 N -0.91 1.01 0.47 0.00 -7.23 0.41 -4.98 120.40 109.17 3dtd s VAL 125 Ca 0.07 -2.00 0.24 0.00 -1.81 0.00 0.00 61.98 58.48 3dtd s VAL 125 Cb -0.09 -2.58 0.43 0.00 0.56 0.00 0.00 36.38 34.70 3dtd s VAL 125 CO 0.03 0.00 1.85 -0.65 -0.31 0.00 0.00 175.10 176.01 3dtd h PRO 126 N 1.90 0.22 0.00 4.82 0.11 -2.04 -0.85 132.00 136.17 3dtd h PRO 126 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3dtd h PRO 126 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dtd h PRO 126 CO 0.66 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 3dtd h ALA 127 N 1.58 1.00 0.00 -0.75 0.00 -1.99 -3.49 119.26 115.60 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 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3dtd h ALA 127 CO -0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.53 3dtd n GLY 128 N 0.22 0.92 3.73 0.00 0.00 -0.32 -4.93 105.19 104.81 3dtd n GLY 128 Ca 0.02 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 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 0.42 5.27 -0.29 0.00 -1.09 0.13 -0.49 121.20 125.15 3dtd s ILE 130 Ca 0.16 0.43 -0.00 0.00 -2.23 0.00 0.00 60.65 59.00 3dtd s ILE 130 Cb -0.13 -3.62 0.05 0.00 -1.58 0.00 0.00 42.46 37.19 3dtd s ILE 130 CO 0.03 0.27 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.29 3dtd s VAL 131 N 1.38 2.74 0.33 2.92 1.01 0.15 -0.78 120.40 128.14 3dtd s VAL 131 Ca 0.13 -1.46 -0.28 0.00 0.00 0.00 0.00 61.98 60.37 3dtd s VAL 131 Cb -0.15 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 3dtd s VAL 131 CO 0.07 -0.08 1.17 -2.84 0.00 0.00 0.00 175.10 173.42 3dtd s PRO 132 N 1.21 4.41 -0.02 2.72 0.02 -1.26 0.36 135.00 142.44 3dtd s PRO 132 Ca -0.06 1.91 0.01 0.00 0.02 0.00 0.00 61.00 62.88 3dtd s PRO 132 Cb -0.20 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.32 3dtd s PRO 132 CO -0.02 -0.03 -0.04 0.96 -0.33 0.00 0.00 177.00 177.54 3dtd s ILE 133 N -1.23 0.38 -0.09 2.83 -4.36 -0.44 -4.73 121.20 113.55 3dtd s ILE 133 Ca 0.49 -0.13 0.01 0.00 -0.26 0.00 0.00 60.65 60.75 3dtd s ILE 133 Cb -0.33 -0.37 0.02 0.00 1.25 0.00 0.00 42.46 43.03 3dtd s ILE 133 CO 0.43 0.14 -0.09 -0.69 0.24 0.00 0.00 174.94 174.97 3dtd s VAL 134 N 0.33 1.06 -0.19 8.37 1.01 -1.26 -0.98 120.40 128.74 3dtd s VAL 134 Ca -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3dtd s VAL 134 Cb -0.07 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3dtd s VAL 134 CO -0.00 0.36 -0.02 -0.36 0.00 0.00 0.00 175.10 175.07 3dtd s PHE 135 N 1.24 3.01 0.86 5.22 2.99 0.13 -5.00 117.98 126.43 3dtd s PHE 135 Ca -0.04 -0.53 -0.13 0.00 0.00 0.00 0.00 56.93 56.24 3dtd s PHE 135 Cb -0.14 -2.06 0.11 0.00 0.00 0.00 0.00 43.02 40.94 3dtd s PHE 135 CO -0.03 -0.26 1.18 0.16 -0.00 0.00 0.00 175.22 176.27 3dtd s ASP 136 N 0.96 4.01 0.30 1.36 1.47 -1.26 -3.18 116.67 120.33 3dtd s ASP 136 Ca 0.01 0.77 0.05 0.00 1.18 0.00 0.00 52.55 54.56 3dtd s ASP 136 Cb -0.14 -1.23 0.70 0.00 -0.34 0.00 0.00 42.92 41.91 3dtd s ASP 136 CO 0.01 -2.22 1.79 0.11 0.68 0.00 0.00 175.17 175.55 3dtd h LYS 137 N -1.27 0.79 -0.35 2.11 1.57 -1.99 -0.59 116.57 116.85 3dtd h LYS 137 Ca -0.47 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.12 3dtd h LYS 137 Cb 1.32 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3dtd h LYS 137 CO 0.61 0.52 -0.36 -0.91 -0.57 0.00 0.00 179.45 178.74 3dtd h ASN 138 N 0.82 0.85 0.08 0.86 4.21 -1.99 -2.50 115.58 117.90 3dtd h ASN 138 Ca 0.56 -0.37 -0.16 0.00 1.21 0.00 0.00 56.30 57.54 3dtd h ASN 138 Cb 0.81 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.77 3dtd h ASN 138 CO -0.36 1.12 -0.58 0.22 -1.29 0.00 0.00 177.43 176.54 3dtd h TYR 139 N 0.67 0.65 -0.62 1.19 5.03 -1.75 -2.45 116.97 119.69 3dtd h TYR 139 Ca 0.06 -0.24 -0.01 0.00 2.58 0.00 0.00 58.73 61.13 3dtd h TYR 139 Cb 0.92 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 39.05 3dtd h TYR 139 CO 0.05 0.97 0.37 0.28 -1.32 0.00 0.00 178.16 178.51 3dtd h VAL 140 N 0.39 1.19 -0.21 1.81 2.07 -1.11 -0.74 116.25 119.63 3dtd h VAL 140 Ca 0.00 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 3dtd h VAL 140 Cb 1.13 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3dtd h VAL 140 CO 0.11 0.19 -0.07 0.00 0.02 0.00 0.00 177.57 177.82 3dtd h ALA 141 N 1.18 1.49 -0.33 1.67 0.00 -1.38 -1.82 119.26 120.08 3dtd h ALA 141 Ca 0.22 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3dtd h ALA 141 Cb -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dtd h ALA 141 CO -0.04 0.36 -0.44 0.00 0.00 0.00 0.00 179.25 179.14 3dtd h ALA 142 N 1.62 0.50 -0.69 0.00 0.00 -1.01 -2.98 119.26 116.71 3dtd h ALA 142 Ca 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3dtd h ALA 142 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3dtd h ALA 142 CO 0.02 0.64 0.35 -0.07 0.00 0.00 0.00 179.25 180.19 3dtd h LEU 143 N 0.67 0.86 -1.03 0.00 4.07 -0.81 -0.49 115.31 118.59 3dtd h LEU 143 Ca 0.04 -0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 3dtd h LEU 143 Cb 1.04 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 3dtd h LEU 143 CO 0.10 0.71 -0.29 0.03 -1.08 0.00 0.00 178.44 177.91 3dtd h ARG 144 N 0.96 0.34 -0.00 1.13 3.08 -1.32 -3.13 114.38 115.44 3dtd h ARG 144 Ca 0.24 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3dtd h ARG 144 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3dtd h ARG 144 CO -0.04 0.60 -0.69 0.00 -1.07 0.00 0.00 179.97 178.78 3dtd n ALA 145 N -2.48 4.02 -1.98 0.04 0.00 -1.07 -4.70 120.51 114.33 3dtd n ALA 145 Ca -0.01 -0.47 -0.27 0.00 0.00 0.00 0.00 53.44 52.69 3dtd n ALA 145 Cb 0.41 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.93 1.65 -0.16 0.00 0.00 -0.21 -5.04 107.32 100.62 3dtd s GLY 146 Ca 0.11 -0.77 -0.00 0.00 0.00 0.00 0.00 44.72 44.06 3dtd s GLY 146 CO 0.75 -0.42 -0.15 0.28 0.00 0.00 0.00 173.10 173.56 3dtd n LYS 147 N -2.82 0.39 -4.35 2.90 5.02 -1.26 -4.72 118.16 113.32 3dtd n LYS 147 Ca 0.07 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.27 3dtd n LYS 147 Cb 0.59 -1.28 -0.14 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.31 1.04 -0.48 2.13 3.76 -1.26 -0.90 115.29 117.26 3dtd s HIS 148 Ca -0.21 -0.29 -0.12 0.00 -0.15 0.00 0.00 55.06 54.28 3dtd s HIS 148 Cb 0.06 -0.63 0.10 0.00 1.11 0.00 0.00 32.58 33.22 3dtd s HIS 148 CO 0.35 0.00 0.38 -1.17 -0.85 0.00 0.00 174.74 173.46 3dtd s LEU 149 N -0.82 5.72 0.19 0.89 2.96 0.21 -1.76 118.68 126.07 3dtd s LEU 149 Ca 0.01 -1.67 -0.30 0.00 -0.22 0.00 0.00 54.13 51.95 3dtd s LEU 149 Cb -0.06 -2.10 -0.08 0.00 0.50 0.00 0.00 46.19 44.45 3dtd s LEU 149 CO 0.01 -0.70 0.99 -0.54 -1.32 0.00 0.00 176.35 174.78 3dtd s LYS 150 N 1.50 4.74 -0.03 1.98 1.02 0.21 -1.19 119.74 127.98 3dtd s LYS 150 Ca 0.04 1.54 0.03 0.00 0.02 0.00 0.00 55.97 57.60 3dtd s LYS 150 Cb -0.26 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3dtd s LYS 150 CO 0.02 0.32 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.18 3dtd s LEU 151 N -0.68 3.07 -0.06 3.17 2.01 -0.22 -1.29 118.68 124.69 3dtd s LEU 151 Ca 0.45 -0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.46 3dtd s LEU 151 Cb -0.26 -1.72 0.02 0.00 0.01 0.00 0.00 46.19 44.25 3dtd s LEU 151 CO 0.33 0.32 -0.04 0.00 1.01 0.00 0.00 176.35 177.97 3dtd s ALA 152 N -0.89 0.75 0.31 4.21 0.00 -0.34 -4.31 121.76 121.49 3dtd s ALA 152 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 3dtd s ALA 152 Cb -0.11 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 3dtd s ALA 152 CO 0.04 -0.15 0.45 0.00 0.00 0.00 0.00 175.76 176.10 3dtd s MET 153 N 1.23 1.79 -0.10 0.00 0.23 -0.61 -0.32 119.30 121.52 3dtd s MET 153 Ca -0.06 -1.65 0.01 0.00 -1.03 0.00 0.00 55.69 52.96 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 -0.73 -0.14 0.99 -2.03 0.00 0.00 175.02 173.09 3dtd s THR 154 N -3.32 3.04 0.03 3.16 2.01 -1.26 -0.18 115.64 119.11 3dtd s THR 154 Ca 0.30 -0.69 -0.27 0.00 0.31 0.00 0.00 61.69 61.33 3dtd s THR 154 Cb 0.00 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 3dtd s THR 154 CO 0.17 0.55 0.85 -0.63 -0.69 0.00 0.00 174.62 174.88 3dtd s ILE 155 N -0.07 4.75 -1.16 1.82 1.01 0.12 0.77 121.20 128.43 3dtd s ILE 155 Ca -0.02 1.80 -0.21 0.00 0.00 0.00 0.00 60.65 62.22 3dtd s ILE 155 Cb -0.14 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 38.18 3dtd s ILE 155 CO 0.04 0.29 1.64 0.00 0.00 0.00 0.00 174.94 176.91 3dtd s ALA 156 N 0.32 2.91 0.11 9.38 0.00 -0.41 -3.86 121.76 130.21 3dtd s ALA 156 Ca 0.43 -2.55 -0.10 0.00 0.00 0.00 0.00 51.96 49.75 3dtd s ALA 156 Cb -0.21 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.31 3dtd s ALA 156 CO 0.25 -3.61 0.25 0.00 0.00 0.00 0.00 175.76 172.65 3dtd s ALA 157 N 5.20 -0.28 0.01 0.00 0.00 -1.26 -4.91 121.76 120.52 3dtd s ALA 157 Ca 0.52 -0.60 -0.34 0.00 0.00 0.00 0.00 51.96 51.54 3dtd s ALA 157 Cb 0.02 0.61 -0.13 0.00 0.00 0.00 0.00 23.12 23.62 3dtd s ALA 157 CO 0.01 -0.57 1.73 -2.30 0.00 0.00 0.00 175.76 174.63 3dtd n PRO 158 N -0.13 2.09 0.00 0.00 -0.02 -1.26 -0.96 135.00 134.73 3dtd n PRO 158 Ca -0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3dtd n PRO 158 Cb 0.63 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.92 1.69 3.66 -1.23 0.00 -1.26 -4.67 105.19 107.30 3dtd n GLY 159 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 -1.24 -2.47 1.61 1.02 -0.13 -4.95 120.64 112.48 3dtd n GLU 160 Ca 0.00 0.74 -0.35 0.00 -0.02 0.00 0.00 57.16 57.52 3dtd n GLU 160 Cb 0.00 -3.46 -0.03 0.00 -0.02 0.00 0.00 31.44 27.94 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 -5.15 3.87 0.46 3.49 0.02 -1.25 -4.69 135.00 131.75 3dtd s PRO 161 Ca 0.18 1.50 -0.21 0.00 0.02 0.00 0.00 61.00 62.50 3dtd s PRO 161 Cb -0.08 -2.29 -0.10 0.00 0.02 0.00 0.00 34.50 32.06 3dtd s PRO 161 CO 0.87 -0.39 1.00 -1.25 -0.33 0.00 0.00 177.00 176.89 3dtd s PRO 162 N -2.90 4.01 -0.29 5.54 0.04 -1.26 -0.70 135.00 139.44 3dtd s PRO 162 Ca 0.64 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.95 3dtd s PRO 162 Cb -0.21 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.24 3dtd s PRO 162 CO 0.26 -0.23 -0.04 -1.17 0.04 0.00 0.00 177.00 175.86 3dtd s LEU 163 N -3.31 3.88 0.00 -3.56 2.96 0.74 -4.83 118.68 114.56 3dtd s LEU 163 Ca 0.64 -1.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.05 3dtd s LEU 163 Cb -0.13 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.93 3dtd s LEU 163 CO 0.17 -0.26 0.29 0.59 -1.32 0.00 0.00 176.35 175.82 3dtd n ASN 164 N 4.47 0.58 -0.51 3.68 3.02 -1.26 -1.57 115.26 123.68 3dtd n ASN 164 Ca -0.11 -0.81 0.13 0.00 -0.03 0.00 0.00 54.58 53.77 3dtd n ASN 164 Cb 0.42 0.30 0.48 0.00 -0.61 0.00 0.00 39.78 40.37 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 -0.30 1.57 -4.85 6.41 3.85 -1.26 -4.69 116.55 117.28 3dtd n ASP 165 Ca 0.00 -1.56 -0.34 0.00 -0.71 0.00 0.00 54.79 52.18 3dtd n ASP 165 Cb 0.02 -0.03 -0.06 0.00 -1.35 0.00 0.00 41.12 39.71 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 -1.89 4.28 0.23 -2.12 1.02 -1.26 -5.01 118.68 113.92 3dtd s LEU 166 Ca 0.37 1.09 -0.18 0.00 0.02 0.00 0.00 54.13 55.43 3dtd s LEU 166 Cb 0.20 -3.46 0.02 0.00 0.02 0.00 0.00 46.19 42.97 3dtd s LEU 166 CO 0.32 0.03 0.58 0.72 0.02 0.00 0.00 176.35 178.02 3dtd s PHE 167 N -1.59 -0.08 -0.12 0.29 -0.12 -1.26 -1.05 117.98 114.04 3dtd s PHE 167 Ca 0.42 -0.30 0.03 0.00 -0.05 0.00 0.00 56.93 57.03 3dtd s PHE 167 Cb -0.14 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 42.73 3dtd s PHE 167 CO 0.20 -1.03 -0.21 0.08 -0.05 0.00 0.00 175.22 174.20 3dtd s VAL 168 N -3.91 1.94 0.12 -2.49 1.01 -0.33 -4.92 120.40 111.81 3dtd s VAL 168 Ca 0.12 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 3dtd s VAL 168 Cb -0.03 -1.72 -0.06 0.00 0.00 0.00 0.00 36.38 34.58 3dtd s VAL 168 CO 0.02 0.53 1.10 -1.10 0.00 0.00 0.00 175.10 175.65 3dtd s GLN 169 N 0.75 4.55 0.00 2.72 -0.21 -1.26 -0.62 119.66 125.59 3dtd s GLN 169 Ca -0.10 1.67 0.19 0.00 0.02 0.00 0.00 55.36 57.15 3dtd s GLN 169 Cb -0.16 -3.33 0.52 0.00 1.00 0.00 0.00 33.01 31.04 3dtd s GLN 169 CO 0.00 -0.02 1.43 1.28 -2.12 0.00 0.00 175.29 175.86 3dtd n LEU 170 N 3.03 3.58 -4.60 2.90 4.77 -0.07 -4.91 117.00 121.70 3dtd n LEU 170 Ca 0.05 -1.91 -0.43 0.00 -0.03 0.00 0.00 56.01 53.69 3dtd n LEU 170 Cb 0.47 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3dtd n LEU 170 CO 0.54 0.88 1.68 0.21 -1.33 0.00 0.00 177.39 179.36 3dtd s ASN 171 N -1.06 5.69 0.00 -1.43 3.84 -1.26 -1.86 114.94 118.86 3dtd s ASN 171 Ca 0.40 1.59 0.00 0.00 0.21 0.00 0.00 52.86 55.06 3dtd s ASN 171 Cb 0.21 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 3dtd s ASN 171 CO 0.28 -1.82 0.00 0.61 -2.79 0.00 0.00 177.10 173.38 3dtd n GLY 172 N 5.57 0.52 0.14 1.21 0.00 -1.26 -0.82 105.19 110.56 3dtd n GLY 172 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 0.13 -0.09 1.61 3.57 -1.61 -1.31 116.94 119.24 3dtd h PHE 173 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3dtd h PHE 173 Cb 0.00 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3dtd h PHE 173 CO 0.00 0.04 0.04 1.03 -2.23 0.00 0.00 178.31 177.19 3dtd h SER 174 N 0.20 0.12 -0.47 0.41 0.87 -1.84 -0.08 113.55 112.75 3dtd h SER 174 Ca 0.14 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3dtd h SER 174 Cb 0.14 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3dtd h SER 174 CO -0.17 0.22 0.09 0.78 -0.53 0.00 0.00 176.83 177.22 3dtd h ASN 175 N -0.00 0.79 -0.16 6.23 2.35 -1.94 -0.77 115.58 122.08 3dtd h ASN 175 Ca 0.03 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.49 3dtd h ASN 175 Cb 0.14 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3dtd h ASN 175 CO -0.00 0.80 -0.36 0.00 -1.65 0.00 0.00 177.43 176.21 3dtd h ALA 176 N 1.30 0.81 -0.26 -0.83 0.00 -1.09 -2.38 119.26 116.81 3dtd h ALA 176 Ca 0.17 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3dtd h ALA 176 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dtd h ALA 176 CO 0.01 0.65 -0.45 1.25 0.00 0.00 0.00 179.25 180.70 3dtd h LEU 177 N 0.57 0.72 -0.89 0.00 5.85 -0.75 -1.92 115.31 118.88 3dtd h LEU 177 Ca 0.06 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.48 3dtd h LEU 177 Cb 0.88 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3dtd h LEU 177 CO 0.08 1.06 0.57 0.78 -0.34 0.00 0.00 178.44 180.59 3dtd h ASN 178 N 0.53 0.92 -0.69 1.25 2.35 -1.07 -1.38 115.58 117.49 3dtd h ASN 178 Ca 0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 3dtd h ASN 178 Cb 0.99 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 3dtd h ASN 178 CO 0.09 0.61 0.15 -0.09 -1.65 0.00 0.00 177.43 176.54 3dtd h ARG 179 N 1.07 1.13 -0.59 0.81 9.65 -1.26 -1.33 114.38 123.86 3dtd h ARG 179 Ca 0.37 -0.28 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 3dtd h ARG 179 Cb 0.08 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 3dtd h ARG 179 CO -0.14 1.01 0.20 -0.07 2.80 0.00 0.00 179.97 183.77 3dtd h LEU 180 N 1.06 0.80 -0.41 3.80 3.38 -0.91 0.08 115.31 123.12 3dtd h LEU 180 Ca 0.22 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3dtd h LEU 180 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3dtd h LEU 180 CO 0.01 0.74 0.08 0.40 0.09 0.00 0.00 178.44 179.76 3dtd h ILE 181 N 0.85 1.24 -0.37 1.22 2.04 -1.05 -2.61 117.51 118.84 3dtd h ILE 181 Ca 0.20 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 3dtd h ILE 181 Cb 0.22 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3dtd h ILE 181 CO -0.01 0.29 -0.00 0.00 0.00 0.00 0.00 178.15 178.43 3dtd h ALA 182 N 0.94 1.31 0.00 1.87 0.00 -0.88 -2.72 119.26 119.78 3dtd h ALA 182 Ca 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3dtd h ALA 182 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dtd h ALA 182 CO 0.01 0.47 -0.26 -0.07 0.00 0.00 0.00 179.25 179.40 3dtd h LEU 183 N 0.55 0.00 -0.50 0.00 3.38 -0.91 -2.88 115.31 114.95 3dtd h LEU 183 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 3dtd h LEU 183 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3dtd h LEU 183 CO 0.01 0.26 -0.44 1.56 0.09 0.00 0.00 178.44 179.92 3dtd h GLN 184 N 0.00 0.74 -0.02 1.13 4.20 -1.14 -3.19 115.11 116.83 3dtd h GLN 184 Ca -0.00 -0.40 -0.13 0.00 0.06 0.00 0.00 58.65 58.17 3dtd h GLN 184 Cb 0.94 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3dtd h GLN 184 CO 0.03 1.03 -0.60 0.87 -0.67 0.00 0.00 178.83 179.49 3dtd h LYS 185 N 0.59 0.06 0.00 1.46 1.57 -1.46 -3.52 116.57 115.27 3dtd h LYS 185 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dtd h LYS 185 Cb 0.99 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3dtd h LYS 185 CO 0.09 0.64 0.00 0.39 -0.57 0.00 0.00 179.45 180.00