#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dtd s SER 42 N 0.00 7.18 0.13 -3.46 0.15 -1.26 -5.02 113.70 111.43 3dtd s SER 42 Ca 0.00 -3.30 -0.30 0.00 0.70 0.00 0.00 55.95 53.05 3dtd s SER 42 Cb 0.00 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 61.97 3dtd s SER 42 CO 0.00 -0.47 1.03 -0.22 1.20 0.00 0.00 173.24 174.78 3dtd s LEU 43 N -0.19 4.49 -0.11 3.45 2.96 -1.26 -4.86 118.68 123.17 3dtd s LEU 43 Ca 0.33 1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 55.87 3dtd s LEU 43 Cb -0.08 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 3dtd s LEU 43 CO -0.06 -0.15 1.03 -0.89 -1.32 0.00 0.00 176.35 174.97 3dtd s THR 44 N -0.03 4.71 0.05 3.68 2.01 -1.26 -4.65 115.64 120.14 3dtd s THR 44 Ca 0.49 1.98 -0.03 0.00 0.31 0.00 0.00 61.69 64.44 3dtd s THR 44 Cb -0.26 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 3dtd s THR 44 CO 0.32 -0.01 0.25 -1.61 -0.69 0.00 0.00 174.62 172.88 3dtd s GLU 45 N 2.12 3.51 -0.11 4.92 2.02 -0.38 -4.94 118.70 125.83 3dtd s GLU 45 Ca 0.49 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 55.24 3dtd s GLU 45 Cb -0.19 -3.03 0.01 0.00 0.10 0.00 0.00 34.13 31.03 3dtd s GLU 45 CO 0.18 0.61 -0.16 0.99 0.02 0.00 0.00 175.26 176.90 3dtd s THR 46 N -1.44 1.54 -0.31 3.63 2.01 -1.26 -0.96 115.64 118.84 3dtd s THR 46 Ca 0.32 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3dtd s THR 46 Cb -0.13 -1.41 0.10 0.00 0.01 0.00 0.00 72.50 71.07 3dtd s THR 46 CO 0.22 0.45 0.08 -0.31 -0.69 0.00 0.00 174.62 174.37 3dtd s TYR 47 N 1.00 2.21 0.00 4.92 2.02 0.48 -5.01 117.35 122.97 3dtd s TYR 47 Ca -0.06 -2.02 0.00 0.00 -0.37 0.00 0.00 57.07 54.62 3dtd s TYR 47 Cb -0.15 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 3dtd s TYR 47 CO -0.02 -0.88 0.00 0.41 -1.57 0.00 0.00 175.55 173.48 3dtd n GLY 48 N 4.70 2.40 0.61 0.71 0.00 -1.26 -1.12 105.19 111.24 3dtd n GLY 48 Ca -0.01 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 2.23 -4.88 0.99 4.77 0.11 -4.96 117.00 115.26 3dtd n LEU 49 Ca 0.00 -0.79 -0.35 0.00 -0.03 0.00 0.00 56.01 54.84 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 -0.17 0.26 -1.33 0.00 0.00 177.39 176.54 3dtd s TRP 50 N -2.34 3.53 0.14 -1.77 0.52 -0.27 -4.84 118.94 113.91 3dtd s TRP 50 Ca 0.22 0.40 0.08 0.00 0.02 0.00 0.00 56.10 56.81 3dtd s TRP 50 Cb 0.19 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 3dtd s TRP 50 CO 0.49 0.66 -0.10 -1.12 0.02 0.00 0.00 176.95 176.91 3dtd s SER 51 N -1.60 4.32 -0.09 2.95 0.01 -0.17 -0.38 113.70 118.75 3dtd s SER 51 Ca 0.23 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.03 3dtd s SER 51 Cb -0.12 -0.78 0.02 0.00 0.21 0.00 0.00 66.02 65.34 3dtd s SER 51 CO 0.13 0.14 -0.12 -0.63 0.41 0.00 0.00 173.24 173.17 3dtd s ILE 52 N -1.43 1.23 0.01 1.44 1.01 -0.14 -0.44 121.20 122.88 3dtd s ILE 52 Ca 0.23 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.43 3dtd s ILE 52 Cb -0.10 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3dtd s ILE 52 CO 0.14 0.38 -0.16 0.20 0.00 0.00 0.00 174.94 175.51 3dtd s ASN 53 N 0.92 1.89 -0.15 3.58 -0.87 -0.81 -1.25 114.94 118.25 3dtd s ASN 53 Ca -0.09 -0.35 -0.01 0.00 -1.57 0.00 0.00 52.86 50.83 3dtd s ASN 53 Cb -0.15 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.25 40.88 3dtd s ASN 53 CO 0.00 0.16 -0.10 0.00 -2.57 0.00 0.00 177.10 174.59 3dtd s GLY 55 N 0.53 1.48 -0.41 0.00 0.00 -0.31 -4.67 107.32 103.95 3dtd s GLY 55 Ca -0.07 -1.71 -0.08 0.00 0.00 0.00 0.00 44.72 42.86 3dtd s GLY 55 CO 0.03 -1.40 0.23 -0.42 0.00 0.00 0.00 173.10 171.55 3dtd s ILE 56 N -4.13 4.07 0.03 0.90 1.01 -1.26 -1.22 121.20 120.60 3dtd s ILE 56 Ca 0.39 -1.44 0.09 0.00 0.00 0.00 0.00 60.65 59.69 3dtd s ILE 56 Cb 0.07 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 3dtd s ILE 56 CO 0.13 -0.49 -0.26 0.00 0.00 0.00 0.00 174.94 174.32 3dtd s GLN 57 N 1.39 1.84 -1.37 2.79 -2.07 -0.87 -4.72 119.66 116.65 3dtd s GLN 57 Ca 0.03 -1.07 -0.17 0.00 -1.82 0.00 0.00 55.36 52.32 3dtd s GLN 57 Cb -0.23 -1.97 0.17 0.00 -1.09 0.00 0.00 33.01 29.90 3dtd s GLN 57 CO 0.01 0.51 0.44 -0.85 -1.32 0.00 0.00 175.29 174.08 3dtd n GLU 58 N 1.90 -1.21 -1.00 9.60 0.00 -1.26 -0.86 120.64 127.81 3dtd n GLU 58 Ca -0.17 0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.09 3dtd n GLU 58 Cb 0.52 -4.37 0.00 0.00 0.00 0.00 0.00 31.44 27.59 3dtd n GLU 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dtd n GLY 59 N -0.90 0.52 3.32 -1.84 0.00 -1.26 -5.04 105.19 99.99 3dtd n GLY 59 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.06 2.99 -0.17 1.61 -0.14 -0.04 -5.09 119.74 118.85 3dtd s LYS 60 Ca 0.00 -0.79 -0.29 0.00 -1.36 0.00 0.00 55.97 53.52 3dtd s LYS 60 Cb 0.00 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.72 3dtd s LYS 60 CO 0.00 0.29 1.58 0.21 -0.76 0.00 0.00 175.35 176.68 3dtd s LYS 61 N 0.10 3.96 -0.04 1.68 2.47 -1.26 -2.04 119.74 124.61 3dtd s LYS 61 Ca -0.09 1.81 0.01 0.00 -1.56 0.00 0.00 55.97 56.15 3dtd s LYS 61 Cb -0.15 -3.99 0.02 0.00 -1.46 0.00 0.00 37.83 32.24 3dtd s LYS 61 CO 0.06 -1.10 -0.06 0.54 0.16 0.00 0.00 175.35 174.95 3dtd s VAL 62 N 4.67 0.65 -0.21 4.02 0.11 -0.36 -4.98 120.40 124.30 3dtd s VAL 62 Ca 0.70 -0.21 -0.09 0.00 -2.93 0.00 0.00 61.98 59.45 3dtd s VAL 62 Cb -0.27 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 3dtd s VAL 62 CO 0.27 0.24 0.11 0.00 -3.33 0.00 0.00 175.10 172.39 3dtd s PHE 64 N 0.60 1.93 -0.17 0.00 -0.12 0.17 -4.54 117.98 115.86 3dtd s PHE 64 Ca 0.06 -0.44 -0.00 0.00 -0.05 0.00 0.00 56.93 56.50 3dtd s PHE 64 Cb -0.12 -0.97 -0.00 0.00 -0.63 0.00 0.00 43.02 41.29 3dtd s PHE 64 CO 0.01 0.36 -0.13 1.41 -0.05 0.00 0.00 175.22 176.81 3dtd s MET 65 N -2.67 3.25 0.05 1.99 1.75 0.84 -1.93 119.30 122.59 3dtd s MET 65 Ca 0.16 -0.72 -0.08 0.00 -1.25 0.00 0.00 55.69 53.80 3dtd s MET 65 Cb -0.07 -2.69 -0.00 0.00 2.84 0.00 0.00 34.83 34.91 3dtd s MET 65 CO 0.07 -0.01 0.15 -3.38 -0.65 0.00 0.00 175.02 171.20 3dtd s HIS 66 N 0.91 0.14 -0.18 4.11 -3.43 0.41 0.22 115.29 117.48 3dtd s HIS 66 Ca -0.03 -0.44 -0.11 0.00 -0.80 0.00 0.00 55.06 53.69 3dtd s HIS 66 Cb -0.15 -0.09 0.06 0.00 -1.43 0.00 0.00 32.58 30.97 3dtd s HIS 66 CO -0.01 -0.42 0.43 0.50 -2.00 0.00 0.00 174.74 173.24 3dtd s ARG 67 N -2.84 0.43 -0.01 -0.38 6.06 -0.41 -1.00 118.95 120.80 3dtd s ARG 67 Ca -0.03 0.78 0.03 0.00 -2.50 0.00 0.00 55.73 54.02 3dtd s ARG 67 Cb 0.00 0.03 -0.03 0.00 0.06 0.00 0.00 34.95 35.01 3dtd s ARG 67 CO -0.05 -0.14 -0.09 -0.65 -2.50 0.00 0.00 175.30 171.87 3dtd s GLN 68 N 1.22 2.54 -0.09 5.12 -0.21 -1.26 -0.89 119.66 126.09 3dtd s GLN 68 Ca -0.08 -0.71 0.02 0.00 0.02 0.00 0.00 55.36 54.61 3dtd s GLN 68 Cb -0.07 -2.47 -0.02 0.00 1.00 0.00 0.00 33.01 31.44 3dtd s GLN 68 CO -0.11 0.61 -0.13 -1.21 -2.12 0.00 0.00 175.29 172.33 3dtd s GLU 69 N -1.22 2.90 0.26 2.91 0.41 0.61 -5.00 118.70 119.57 3dtd s GLU 69 Ca 0.15 -0.68 0.11 0.00 -0.41 0.00 0.00 54.97 54.14 3dtd s GLU 69 Cb -0.11 -2.50 -0.05 0.00 -1.78 0.00 0.00 34.13 29.69 3dtd s GLU 69 CO 0.05 0.45 -0.14 0.14 -0.49 0.00 0.00 175.26 175.27 3dtd s VAL 70 N -0.28 2.79 0.00 2.63 -7.23 -1.26 -1.18 120.40 115.87 3dtd s VAL 70 Ca 0.02 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 3dtd s VAL 70 Cb -0.13 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.36 3dtd s VAL 70 CO 0.03 -0.34 0.00 -0.46 -0.31 0.00 0.00 175.10 174.01 3dtd n ASN 71 N -0.56 0.00 0.29 4.85 0.23 -0.94 -4.91 115.26 114.23 3dtd n ASN 71 Ca -0.07 -0.97 0.18 0.00 -0.53 0.00 0.00 54.58 53.19 3dtd n ASN 71 Cb 0.59 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 39.10 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 -0.20 0.53 3.04 -2.02 -1.98 116.42 115.79 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 0.01 0.00 0.00 -2.04 0.00 0.00 179.24 177.21 3dtd n GLN 73 N -3.10 1.74 -2.05 4.15 1.13 -1.26 -4.95 117.38 113.04 3dtd n GLN 73 Ca -0.00 -1.12 -0.17 0.00 -1.94 0.00 0.00 57.00 53.77 3dtd n GLN 73 Cb 0.25 -1.37 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 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 0.36 -5.02 -4.81 1.08 5.15 -0.75 -5.02 115.26 106.25 3dtd n ASN 74 Ca 0.15 0.13 -0.33 0.00 -0.60 0.00 0.00 54.58 53.92 3dtd n ASN 74 Cb 0.32 -4.09 -0.07 0.00 -0.53 0.00 0.00 39.78 35.42 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 -4.39 3.16 -0.01 1.20 1.70 -1.26 -4.84 118.95 114.51 3dtd s ARG 75 Ca 0.00 -0.42 -0.30 0.00 -0.47 0.00 0.00 55.73 54.54 3dtd s ARG 75 Cb 0.00 -2.93 -0.06 0.00 -0.57 0.00 0.00 34.95 31.39 3dtd s ARG 75 CO 0.00 0.67 1.53 0.08 -1.08 0.00 0.00 175.30 176.49 3dtd s VAL 76 N -1.19 3.53 -0.21 4.99 1.01 -1.26 -2.21 120.40 125.07 3dtd s VAL 76 Ca 0.22 0.86 -0.05 0.00 0.00 0.00 0.00 61.98 63.01 3dtd s VAL 76 Cb -0.12 -3.55 -0.11 0.00 0.00 0.00 0.00 36.38 32.60 3dtd s VAL 76 CO 0.13 -0.03 -0.23 0.52 0.00 0.00 0.00 175.10 175.50 3dtd n VAL 77 N 4.94 1.15 -4.21 2.92 0.31 -0.33 -4.98 118.33 118.13 3dtd n VAL 77 Ca 0.15 -0.36 -0.16 0.00 -0.01 0.00 0.00 64.34 63.96 3dtd n VAL 77 Cb 0.43 -1.50 -0.14 0.00 -0.91 0.00 0.00 33.84 31.71 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 -2.39 0.59 0.06 2.52 0.11 -1.18 -3.79 120.40 116.31 3dtd s VAL 78 Ca -0.28 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.24 3dtd s VAL 78 Cb 0.09 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 3dtd s VAL 78 CO 0.41 0.01 -0.06 0.00 -3.33 0.00 0.00 175.10 172.13 3dtd s ALA 79 N -0.51 0.60 -0.03 1.54 0.00 -0.76 -0.28 121.76 122.31 3dtd s ALA 79 Ca -0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 3dtd s ALA 79 Cb -0.05 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.23 3dtd s ALA 79 CO 0.00 -0.16 0.05 1.41 0.00 0.00 0.00 175.76 177.07 3dtd s MET 80 N -2.56 -0.00 -0.03 0.00 1.75 -0.07 -0.03 119.30 118.36 3dtd s MET 80 Ca -0.02 0.20 0.03 0.00 -1.25 0.00 0.00 55.69 54.65 3dtd s MET 80 Cb -0.03 -0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.44 3dtd s MET 80 CO -0.03 -0.15 -0.11 0.45 -0.65 0.00 0.00 175.02 174.53 3dtd s SER 81 N 0.95 1.50 -0.02 1.11 0.15 -0.04 -1.29 113.70 116.06 3dtd s SER 81 Ca -0.08 -0.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.32 3dtd s SER 81 Cb -0.11 -0.42 0.01 0.00 -1.71 0.00 0.00 66.02 63.79 3dtd s SER 81 CO -0.03 0.09 0.04 -0.69 1.20 0.00 0.00 173.24 173.85 3dtd s VAL 82 N 0.18 -0.01 0.21 4.45 1.01 0.13 -0.68 120.40 125.69 3dtd s VAL 82 Ca -0.04 0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.10 3dtd s VAL 82 Cb -0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 3dtd s VAL 82 CO 0.01 0.02 -0.21 0.68 0.00 0.00 0.00 175.10 175.60 3dtd s VAL 83 N 0.27 2.49 -0.35 2.92 -7.23 0.17 -0.11 120.40 118.57 3dtd s VAL 83 Ca -0.02 -2.06 -0.14 0.00 -1.81 0.00 0.00 61.98 57.95 3dtd s VAL 83 Cb -0.03 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.67 3dtd s VAL 83 CO -0.01 -0.18 0.30 -0.22 -0.31 0.00 0.00 175.10 174.69 3dtd s LEU 84 N -2.87 4.52 0.75 1.32 0.20 -1.26 -1.81 118.68 119.54 3dtd s LEU 84 Ca 0.23 -0.37 -0.12 0.00 0.69 0.00 0.00 54.13 54.57 3dtd s LEU 84 Cb -0.07 -2.23 0.04 0.00 -0.43 0.00 0.00 46.19 43.50 3dtd s LEU 84 CO 0.12 -0.30 1.12 0.20 -0.29 0.00 0.00 176.35 177.20 3dtd s ASN 85 N 1.73 4.98 0.45 3.68 0.01 -0.50 -4.96 114.94 120.34 3dtd s ASN 85 Ca 0.09 1.05 0.11 0.00 -0.71 0.00 0.00 52.86 53.39 3dtd s ASN 85 Cb -0.17 -1.74 1.01 0.00 0.41 0.00 0.00 41.25 40.75 3dtd s ASN 85 CO 0.11 -1.63 2.06 0.00 -1.51 0.00 0.00 177.10 176.14 3dtd h ALA 86 N -0.86 1.78 -0.00 0.60 0.00 -1.98 -1.71 119.26 117.09 3dtd h ALA 86 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3dtd h ALA 86 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dtd h ALA 86 CO 0.64 0.18 -0.12 -0.40 0.00 0.00 0.00 179.25 179.55 3dtd n ASP 87 N -4.46 0.17 0.00 0.00 5.75 -1.26 -4.92 116.55 111.83 3dtd n ASP 87 Ca -0.00 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 3dtd n ASP 87 Cb 0.12 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 1.44 0.52 3.74 6.12 0.00 -0.64 -5.08 105.19 111.29 3dtd n GLY 88 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 4.08 -0.30 1.61 0.11 -1.26 -4.80 120.40 117.84 3dtd s VAL 89 Ca 0.00 1.86 -0.14 0.00 -2.93 0.00 0.00 61.98 60.76 3dtd s VAL 89 Cb 0.00 -4.18 -0.03 0.00 -1.53 0.00 0.00 36.38 30.64 3dtd s VAL 89 CO 0.00 0.35 0.34 -0.69 -3.33 0.00 0.00 175.10 171.77 3dtd s VAL 90 N -0.46 5.19 0.14 2.04 1.01 -1.20 -1.40 120.40 125.72 3dtd s VAL 90 Ca 0.46 0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 3dtd s VAL 90 Cb -0.27 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3dtd s VAL 90 CO 0.33 0.06 0.06 -0.94 0.00 0.00 0.00 175.10 174.61 3dtd s SER 91 N 1.70 0.36 0.00 3.32 1.04 -0.75 -0.19 113.70 119.18 3dtd s SER 91 Ca 0.12 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.32 3dtd s SER 91 Cb -0.16 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3dtd s SER 91 CO 0.11 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.21 3dtd n GLY 92 N -0.13 -0.65 2.99 7.32 0.00 -0.60 0.46 105.19 114.58 3dtd n GLY 92 Ca -0.05 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 0.70 -0.14 1.61 0.01 0.14 -1.57 114.94 111.70 3dtd s ASN 93 Ca 0.00 -0.24 -0.02 0.00 -0.71 0.00 0.00 52.86 51.89 3dtd s ASN 93 Cb 0.00 -0.04 -0.02 0.00 0.41 0.00 0.00 41.25 41.60 3dtd s ASN 93 CO 0.00 -0.02 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.29 3dtd s LEU 94 N -0.58 3.13 -0.28 0.60 2.96 0.12 -0.87 118.68 123.76 3dtd s LEU 94 Ca -0.02 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 3dtd s LEU 94 Cb -0.05 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3dtd s LEU 94 CO -0.00 0.19 0.14 -0.89 -1.32 0.00 0.00 176.35 174.48 3dtd s THR 95 N 0.22 4.76 0.33 3.68 2.01 0.96 0.44 115.64 128.04 3dtd s THR 95 Ca -0.04 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.89 3dtd s THR 95 Cb -0.14 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3dtd s THR 95 CO 0.03 0.20 0.11 0.68 -0.69 0.00 0.00 174.62 174.95 3dtd s VAL 96 N 1.66 3.03 1.03 3.82 -7.23 0.26 -1.84 120.40 121.14 3dtd s VAL 96 Ca 0.06 -1.76 -0.12 0.00 -1.81 0.00 0.00 61.98 58.35 3dtd s VAL 96 Cb -0.16 -2.94 0.21 0.00 0.56 0.00 0.00 36.38 34.05 3dtd s VAL 96 CO 0.07 -0.21 1.08 -2.84 -0.31 0.00 0.00 175.10 172.89 3dtd s PRO 97 N -3.81 0.10 0.75 4.82 0.02 -1.25 -0.92 135.00 134.72 3dtd s PRO 97 Ca 0.36 1.06 -0.11 0.00 0.02 0.00 0.00 61.00 62.33 3dtd s PRO 97 Cb -0.03 -1.66 0.04 0.00 0.02 0.00 0.00 34.50 32.88 3dtd s PRO 97 CO 0.22 -3.10 1.08 -0.06 -0.33 0.00 0.00 177.00 174.81 3dtd s PHE 98 N -2.62 2.77 0.00 6.54 0.08 -1.26 -4.22 117.98 119.27 3dtd s PHE 98 Ca 0.67 1.50 0.00 0.00 0.12 0.00 0.00 56.93 59.22 3dtd s PHE 98 Cb -0.23 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 3dtd s PHE 98 CO 0.61 -1.60 0.00 0.41 -0.10 0.00 0.00 175.22 174.53 3dtd n GLY 99 N -1.49 0.74 3.75 4.36 0.00 -1.26 -5.04 105.19 106.25 3dtd n GLY 99 Ca 0.08 0.00 -0.39 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 -2.23 4.92 -0.26 -0.61 -1.09 -1.26 -0.14 121.20 120.52 3dtd s ILE 100 Ca 0.00 1.33 -0.28 0.00 -2.23 0.00 0.00 60.65 59.47 3dtd s ILE 100 Cb 0.00 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 3dtd s ILE 100 CO 0.00 0.38 1.97 -0.22 -1.23 0.00 0.00 174.94 175.84 3dtd s LEU 101 N 0.04 3.52 0.33 2.97 2.96 0.23 -4.59 118.68 124.15 3dtd s LEU 101 Ca 0.33 1.61 0.15 0.00 -0.22 0.00 0.00 54.13 56.00 3dtd s LEU 101 Cb -0.18 -3.52 0.55 0.00 0.50 0.00 0.00 46.19 43.54 3dtd s LEU 101 CO 0.18 -1.77 1.70 0.58 -1.32 0.00 0.00 176.35 175.71 3dtd h VAL 102 N 6.89 1.17 0.00 1.68 2.07 -1.95 -3.10 116.25 123.01 3dtd h VAL 102 Ca -0.37 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.40 3dtd h VAL 102 Cb 1.20 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 3dtd h VAL 102 CO 1.00 0.47 0.00 0.77 0.02 0.00 0.00 177.57 179.83 3dtd h SER 103 N 0.00 0.00 -2.82 0.57 4.64 -1.96 -3.42 113.55 110.56 3dtd h SER 103 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.67 3dtd h SER 103 Cb 0.95 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.98 3dtd h SER 103 CO 0.06 0.00 -0.50 -0.54 -0.87 0.00 0.00 176.83 174.98 3dtd s LYS 104 N -3.22 3.42 0.75 4.77 1.02 -1.17 -5.09 119.74 120.21 3dtd s LYS 104 Ca 0.07 -0.32 -0.11 0.00 0.02 0.00 0.00 55.97 55.63 3dtd s LYS 104 Cb 0.07 -3.09 0.04 0.00 -0.52 0.00 0.00 37.83 34.34 3dtd s LYS 104 CO 0.63 0.68 1.08 -2.14 -0.92 0.00 0.00 175.35 174.68 3dtd s PRO 105 N -1.90 2.46 -0.25 -1.68 0.02 -1.26 -4.82 135.00 127.58 3dtd s PRO 105 Ca 0.27 0.81 -0.09 0.00 0.02 0.00 0.00 61.00 62.01 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 0.18 -1.40 0.12 0.08 -0.33 0.00 0.00 177.00 175.65 3dtd s VAL 106 N -3.09 4.81 -0.20 3.83 1.01 0.34 -4.55 120.40 122.55 3dtd s VAL 106 Ca 0.60 -0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 3dtd s VAL 106 Cb -0.14 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3dtd s VAL 106 CO 0.55 0.33 0.12 -0.60 0.00 0.00 0.00 175.10 175.49 3dtd s ARG 107 N 1.44 4.11 -0.15 2.72 3.52 0.38 -1.34 118.95 129.63 3dtd s ARG 107 Ca 0.06 -0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.40 3dtd s ARG 107 Cb -0.15 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 3dtd s ARG 107 CO 0.06 0.26 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.17 3dtd s LEU 108 N 0.46 2.66 -0.02 -0.88 1.02 0.11 -1.17 118.68 120.86 3dtd s LEU 108 Ca 0.07 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 53.84 3dtd s LEU 108 Cb -0.12 -1.61 0.03 0.00 0.02 0.00 0.00 46.19 44.51 3dtd s LEU 108 CO -0.01 0.12 0.02 -1.58 0.02 0.00 0.00 176.35 174.93 3dtd s GLN 109 N 0.62 0.02 -0.39 1.70 0.74 -0.55 -0.77 119.66 121.03 3dtd s GLN 109 Ca -0.07 0.16 -0.29 0.00 0.05 0.00 0.00 55.36 55.21 3dtd s GLN 109 Cb -0.16 -0.29 0.02 0.00 1.10 0.00 0.00 33.01 33.69 3dtd s GLN 109 CO 0.03 -0.16 1.12 0.08 -0.55 0.00 0.00 175.29 175.80 3dtd s VAL 110 N 1.04 4.35 0.00 1.34 1.01 -1.14 0.07 120.40 127.07 3dtd s VAL 110 Ca -0.09 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.38 3dtd s VAL 110 Cb -0.13 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.76 3dtd s VAL 110 CO -0.03 -0.72 0.00 0.47 0.00 0.00 0.00 175.10 174.82 3dtd n ASP 111 N 7.36 0.00 -0.54 3.32 8.00 -0.12 -1.51 116.55 133.05 3dtd n ASP 111 Ca 0.12 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.68 3dtd n ASP 111 Cb 0.48 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.77 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 14.00 1.59 -0.16 -1.24 1.02 -1.26 -4.77 120.64 129.82 3dtd n GLU 112 Ca 0.00 -3.09 0.00 0.00 -0.02 0.00 0.00 57.16 54.05 3dtd n GLU 112 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 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 -1.18 -0.40 0.42 0.62 0.00 -0.57 -5.01 105.19 99.07 3dtd n GLY 113 Ca 0.20 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.76 1.23 -2.67 1.61 5.02 -1.26 -4.78 118.16 116.54 3dtd n LYS 114 Ca 0.00 -0.84 -0.42 0.00 -2.02 0.00 0.00 58.31 55.03 3dtd n LYS 114 Cb 0.00 -1.48 -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 -2.36 2.90 -0.14 7.82 0.00 -1.26 -4.99 121.76 123.73 3dtd s ALA 115 Ca 0.26 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.42 3dtd s ALA 115 Cb 0.19 -4.18 0.01 0.00 0.00 0.00 0.00 23.12 19.14 3dtd s ALA 115 CO 0.48 -3.18 -0.21 0.08 0.00 0.00 0.00 175.76 172.93 3dtd s VAL 116 N 4.82 1.99 -0.08 0.00 1.01 -1.26 -2.91 120.40 123.98 3dtd s VAL 116 Ca 0.33 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3dtd s VAL 116 Cb -0.09 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3dtd s VAL 116 CO 0.06 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 174.92 3dtd s ILE 117 N 0.89 2.98 -0.19 2.22 1.01 0.05 -4.98 121.20 123.18 3dtd s ILE 117 Ca -0.06 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3dtd s ILE 117 Cb -0.15 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.15 3dtd s ILE 117 CO -0.03 0.57 -0.18 -0.70 0.00 0.00 0.00 174.94 174.60 3dtd s GLU 118 N -0.34 2.96 0.14 2.79 2.12 -1.26 0.08 118.70 125.18 3dtd s GLU 118 Ca 0.03 -0.86 0.03 0.00 0.36 0.00 0.00 54.97 54.53 3dtd s GLU 118 Cb -0.13 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 3dtd s GLU 118 CO 0.02 -0.24 0.10 -2.37 -0.54 0.00 0.00 175.26 172.24 3dtd n THR 119 N 4.62 0.00 -4.12 -1.70 5.66 -0.45 -4.96 114.28 113.32 3dtd n THR 119 Ca -0.20 -0.96 -0.11 0.00 -3.05 0.00 0.00 64.05 59.73 3dtd n THR 119 Cb 0.49 0.46 -0.08 0.00 -1.55 0.00 0.00 70.33 69.65 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 -1.93 1.08 0.13 1.09 0.00 -1.26 0.13 107.32 106.55 3dtd s GLY 120 Ca 0.15 -1.37 -0.31 0.00 0.00 0.00 0.00 44.72 43.19 3dtd s GLY 120 CO 0.10 -1.10 1.30 -0.42 0.00 0.00 0.00 173.10 172.99 3dtd s ILE 121 N -4.10 3.50 -0.14 0.90 1.01 -1.26 -4.15 121.20 116.96 3dtd s ILE 121 Ca 0.32 1.13 -0.13 0.00 0.00 0.00 0.00 60.65 61.98 3dtd s ILE 121 Cb 0.04 -3.72 -0.25 0.00 0.01 0.00 0.00 42.46 38.54 3dtd s ILE 121 CO 0.11 0.12 0.37 -0.09 0.00 0.00 0.00 174.94 175.44 3dtd h ARG 122 N 6.27 0.20 -2.52 2.79 2.43 -1.40 -3.49 114.38 118.66 3dtd h ARG 122 Ca -0.43 -0.34 0.12 0.00 -0.81 0.00 0.00 59.98 58.52 3dtd h ARG 122 Cb 1.21 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 30.79 3dtd h ARG 122 CO 0.81 1.16 0.41 -0.08 -1.51 0.00 0.00 179.97 180.77 3dtd s THR 123 N -2.49 0.00 0.05 0.20 -1.32 -1.24 -5.04 115.64 105.80 3dtd s THR 123 Ca -0.23 -0.46 0.08 0.00 -1.21 0.00 0.00 61.69 59.87 3dtd s THR 123 Cb 0.06 -1.61 -0.03 0.00 -1.51 0.00 0.00 72.50 69.41 3dtd s THR 123 CO 0.72 0.00 -0.24 0.00 -2.21 0.00 0.00 174.62 172.90 3dtd s VAL 125 N -0.81 1.16 0.48 0.00 -7.23 0.42 -4.97 120.40 109.44 3dtd s VAL 125 Ca 0.10 -2.00 0.25 0.00 -1.81 0.00 0.00 61.98 58.51 3dtd s VAL 125 Cb -0.09 -2.55 0.43 0.00 0.56 0.00 0.00 36.38 34.73 3dtd s VAL 125 CO 0.02 0.00 1.87 -0.65 -0.31 0.00 0.00 175.10 176.03 3dtd h PRO 126 N 1.77 0.19 0.00 4.82 0.11 -2.04 -1.17 132.00 135.68 3dtd h PRO 126 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3dtd h PRO 126 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dtd h PRO 126 CO 0.69 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.61 3dtd h ALA 127 N 1.59 1.00 0.00 -0.75 0.00 -1.99 -3.49 119.26 115.62 3dtd h ALA 127 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3dtd h ALA 127 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3dtd h ALA 127 CO -0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.56 3dtd n GLY 128 N 0.26 0.93 3.75 0.00 0.00 -0.44 -4.94 105.19 104.75 3dtd n GLY 128 Ca 0.02 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 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 0.23 5.24 -0.32 0.00 -1.09 0.14 -0.58 121.20 124.83 3dtd s ILE 130 Ca 0.21 0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 59.01 3dtd s ILE 130 Cb -0.14 -3.63 0.05 0.00 -1.58 0.00 0.00 42.46 37.16 3dtd s ILE 130 CO 0.08 0.22 0.05 -0.69 -1.23 0.00 0.00 174.94 173.36 3dtd s VAL 131 N 1.75 3.30 0.30 2.92 1.01 0.17 -0.87 120.40 128.97 3dtd s VAL 131 Ca 0.12 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 3dtd s VAL 131 Cb -0.15 -2.90 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 3dtd s VAL 131 CO 0.09 -0.15 1.21 -2.84 0.00 0.00 0.00 175.10 173.41 3dtd s PRO 132 N 1.30 4.49 -0.02 2.72 0.02 -1.26 0.10 135.00 142.35 3dtd s PRO 132 Ca -0.03 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.03 3dtd s PRO 132 Cb -0.20 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.19 3dtd s PRO 132 CO 0.00 -0.01 -0.07 0.96 -0.33 0.00 0.00 177.00 177.55 3dtd s ILE 133 N -1.05 0.63 -0.10 2.83 -4.36 -0.61 -4.74 121.20 113.80 3dtd s ILE 133 Ca 0.47 -0.27 0.01 0.00 -0.26 0.00 0.00 60.65 60.60 3dtd s ILE 133 Cb -0.36 -0.57 0.02 0.00 1.25 0.00 0.00 42.46 42.79 3dtd s ILE 133 CO 0.47 0.21 -0.12 -0.69 0.24 0.00 0.00 174.94 175.04 3dtd s VAL 134 N 0.25 1.26 -0.19 8.37 1.01 -1.26 -1.55 120.40 128.29 3dtd s VAL 134 Ca -0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 3dtd s VAL 134 Cb -0.08 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3dtd s VAL 134 CO 0.00 0.39 -0.02 -0.36 0.00 0.00 0.00 175.10 175.12 3dtd s PHE 135 N 1.08 3.01 0.85 5.22 2.99 0.74 -5.01 117.98 126.86 3dtd s PHE 135 Ca -0.06 -0.50 -0.13 0.00 0.00 0.00 0.00 56.93 56.24 3dtd s PHE 135 Cb -0.15 -2.05 0.11 0.00 0.00 0.00 0.00 43.02 40.93 3dtd s PHE 135 CO -0.02 -0.24 1.19 0.16 -0.00 0.00 0.00 175.22 176.31 3dtd s ASP 136 N 0.91 4.13 0.30 1.36 1.47 -1.26 -3.28 116.67 120.31 3dtd s ASP 136 Ca 0.00 0.74 0.05 0.00 1.18 0.00 0.00 52.55 54.53 3dtd s ASP 136 Cb -0.14 -1.18 0.72 0.00 -0.34 0.00 0.00 42.92 41.97 3dtd s ASP 136 CO 0.02 -2.14 1.79 0.11 0.68 0.00 0.00 175.17 175.63 3dtd h LYS 137 N -1.22 0.78 -0.50 2.11 1.79 -1.99 -0.31 116.57 117.22 3dtd h LYS 137 Ca -0.46 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 57.83 3dtd h LYS 137 Cb 1.32 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 3dtd h LYS 137 CO 0.61 0.51 -0.20 -0.97 -1.08 0.00 0.00 179.45 178.33 3dtd h ASN 138 N 0.80 1.03 -0.07 0.86 -0.00 -2.00 -2.36 115.58 113.84 3dtd h ASN 138 Ca 0.56 -0.38 -0.22 0.00 -0.00 0.00 0.00 56.30 56.25 3dtd h ASN 138 Cb 0.83 -0.28 0.01 0.00 -0.00 0.00 0.00 38.32 38.87 3dtd h ASN 138 CO -0.35 1.19 -0.80 0.22 -0.00 0.00 0.00 177.43 177.69 3dtd h TYR 139 N 0.87 0.99 -0.63 0.67 5.03 -1.65 -2.72 116.97 119.54 3dtd h TYR 139 Ca 0.12 -0.45 0.07 0.00 2.58 0.00 0.00 58.73 61.04 3dtd h TYR 139 Cb 0.78 -0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.85 3dtd h TYR 139 CO 0.05 1.27 0.32 0.28 -1.32 0.00 0.00 178.16 178.77 3dtd h VAL 140 N 0.49 0.91 -0.60 1.81 2.07 -1.10 -0.61 116.25 119.22 3dtd h VAL 140 Ca -0.06 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3dtd h VAL 140 Cb 1.42 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3dtd h VAL 140 CO 0.16 0.11 0.29 0.00 0.02 0.00 0.00 177.57 178.15 3dtd h ALA 141 N 1.36 1.40 -0.26 1.67 0.00 -1.36 -1.87 119.26 120.18 3dtd h ALA 141 Ca 0.29 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3dtd h ALA 141 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dtd h ALA 141 CO -0.21 0.48 -0.46 0.00 0.00 0.00 0.00 179.25 179.06 3dtd h ALA 142 N 1.49 0.70 -0.57 0.00 0.00 -1.11 -2.93 119.26 116.83 3dtd h ALA 142 Ca 0.21 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3dtd h ALA 142 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3dtd h ALA 142 CO -0.03 0.67 0.22 -0.07 0.00 0.00 0.00 179.25 180.04 3dtd h LEU 143 N 0.55 0.75 -0.77 0.00 4.07 -0.62 -0.36 115.31 118.94 3dtd h LEU 143 Ca 0.03 -0.10 -0.13 0.00 0.08 0.00 0.00 57.88 57.77 3dtd h LEU 143 Cb 1.00 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 3dtd h LEU 143 CO 0.09 0.68 -0.56 0.03 -1.08 0.00 0.00 178.44 177.61 3dtd h ARG 144 N 0.82 0.18 0.00 1.13 3.08 -1.31 -3.20 114.38 115.07 3dtd h ARG 144 Ca 0.19 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3dtd h ARG 144 Cb 0.17 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3dtd h ARG 144 CO -0.02 0.69 -0.85 0.00 -1.07 0.00 0.00 179.97 178.72 3dtd n ALA 145 N -2.46 3.36 -1.94 0.04 0.00 -1.07 -4.67 120.51 113.78 3dtd n ALA 145 Ca -0.02 -0.37 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 3dtd n ALA 145 Cb 0.58 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 19.06 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 -3.53 1.70 -0.13 0.00 0.00 -0.17 -5.05 107.32 100.14 3dtd s GLY 146 Ca 0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 3dtd s GLY 146 CO 0.77 -0.56 -0.14 0.28 0.00 0.00 0.00 173.10 173.44 3dtd n LYS 147 N -2.87 0.30 -4.77 2.90 5.02 -1.26 -4.71 118.16 112.78 3dtd n LYS 147 Ca 0.08 0.10 -0.25 0.00 -2.02 0.00 0.00 58.31 56.22 3dtd n LYS 147 Cb 0.60 -1.11 -0.16 0.00 -0.02 0.00 0.00 35.03 34.34 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 -2.25 1.57 -0.53 2.13 3.76 -1.26 -0.73 115.29 117.98 3dtd s HIS 148 Ca -0.18 -0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 54.15 3dtd s HIS 148 Cb 0.06 -1.05 0.09 0.00 1.11 0.00 0.00 32.58 32.79 3dtd s HIS 148 CO 0.26 -0.13 0.55 -1.17 -0.85 0.00 0.00 174.74 173.41 3dtd s LEU 149 N -0.04 5.55 0.22 0.89 2.96 0.62 -0.94 118.68 127.94 3dtd s LEU 149 Ca -0.01 -1.37 -0.30 0.00 -0.22 0.00 0.00 54.13 52.22 3dtd s LEU 149 Cb -0.10 -2.28 -0.08 0.00 0.50 0.00 0.00 46.19 44.22 3dtd s LEU 149 CO 0.01 -0.88 0.95 -0.54 -1.32 0.00 0.00 176.35 174.57 3dtd s LYS 150 N 2.13 4.83 0.02 1.98 1.02 0.11 -0.84 119.74 129.00 3dtd s LYS 150 Ca 0.08 1.49 0.05 0.00 0.02 0.00 0.00 55.97 57.61 3dtd s LYS 150 Cb -0.24 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 3dtd s LYS 150 CO 0.07 0.47 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.33 3dtd s LEU 151 N -0.98 2.90 -0.04 3.17 2.01 -0.14 -1.49 118.68 124.11 3dtd s LEU 151 Ca 0.42 -0.27 -0.00 0.00 0.01 0.00 0.00 54.13 54.28 3dtd s LEU 151 Cb -0.26 -1.67 0.03 0.00 0.01 0.00 0.00 46.19 44.30 3dtd s LEU 151 CO 0.32 0.27 0.00 0.00 1.01 0.00 0.00 176.35 177.95 3dtd s ALA 152 N -0.95 0.42 0.32 4.21 0.00 -0.31 -4.34 121.76 121.10 3dtd s ALA 152 Ca 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 3dtd s ALA 152 Cb -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.55 3dtd s ALA 152 CO 0.06 -0.20 0.46 0.00 0.00 0.00 0.00 175.76 176.08 3dtd s MET 153 N 1.35 1.80 -0.12 0.00 0.23 -0.63 -0.47 119.30 121.47 3dtd s MET 153 Ca -0.05 -1.63 0.00 0.00 -1.03 0.00 0.00 55.69 52.98 3dtd s MET 153 Cb -0.13 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.60 3dtd s MET 153 CO -0.02 -0.74 -0.13 0.99 -2.03 0.00 0.00 175.02 173.08 3dtd s THR 154 N -3.30 3.05 0.08 3.16 2.01 -1.26 -0.19 115.64 119.18 3dtd s THR 154 Ca 0.29 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.31 3dtd s THR 154 Cb -0.00 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 3dtd s THR 154 CO 0.17 0.53 0.98 -0.63 -0.69 0.00 0.00 174.62 174.98 3dtd s ILE 155 N 0.18 4.58 -1.20 1.82 1.01 0.22 0.74 121.20 128.55 3dtd s ILE 155 Ca -0.08 2.04 -0.20 0.00 0.00 0.00 0.00 60.65 62.42 3dtd s ILE 155 Cb -0.15 -4.31 0.06 0.00 0.01 0.00 0.00 42.46 38.07 3dtd s ILE 155 CO 0.05 0.27 1.66 0.00 0.00 0.00 0.00 174.94 176.92 3dtd s ALA 156 N 0.31 3.05 0.09 9.38 0.00 0.80 -3.89 121.76 131.51 3dtd s ALA 156 Ca 0.49 -2.67 -0.10 0.00 0.00 0.00 0.00 51.96 49.68 3dtd s ALA 156 Cb -0.23 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.28 3dtd s ALA 156 CO 0.29 -3.49 0.22 0.00 0.00 0.00 0.00 175.76 172.78 3dtd s ALA 157 N 4.79 -0.32 -0.02 0.00 0.00 -1.26 -4.92 121.76 120.03 3dtd s ALA 157 Ca 0.52 -0.54 -0.35 0.00 0.00 0.00 0.00 51.96 51.60 3dtd s ALA 157 Cb 0.02 0.52 -0.13 0.00 0.00 0.00 0.00 23.12 23.53 3dtd s ALA 157 CO 0.03 -0.53 1.76 -2.30 0.00 0.00 0.00 175.76 174.72 3dtd n PRO 158 N -0.08 2.05 0.00 0.00 -0.02 -1.26 -0.90 135.00 134.78 3dtd n PRO 158 Ca -0.15 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3dtd n PRO 158 Cb 0.63 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 4.02 3.35 3.45 -1.23 0.00 -1.26 -4.68 105.19 108.84 3dtd n GLY 159 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.99 -1.40 -2.32 1.61 1.02 -0.08 -4.97 120.64 112.50 3dtd n GLU 160 Ca 0.00 0.97 -0.34 0.00 -0.02 0.00 0.00 57.16 57.77 3dtd n GLU 160 Cb 0.00 -4.30 -0.01 0.00 -0.02 0.00 0.00 31.44 27.10 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 -4.45 3.53 0.45 3.49 0.02 -1.25 -4.70 135.00 132.10 3dtd s PRO 161 Ca 0.15 1.39 -0.20 0.00 0.02 0.00 0.00 61.00 62.36 3dtd s PRO 161 Cb -0.05 -2.05 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 3dtd s PRO 161 CO 0.82 -0.66 0.96 -1.25 -0.33 0.00 0.00 177.00 176.54 3dtd s PRO 162 N -3.48 4.16 -0.29 5.54 0.04 -1.26 -0.61 135.00 139.10 3dtd s PRO 162 Ca 0.68 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.83 3dtd s PRO 162 Cb -0.18 -2.17 0.07 0.00 0.04 0.00 0.00 34.50 32.26 3dtd s PRO 162 CO 0.26 -0.09 -0.05 -1.17 0.04 0.00 0.00 177.00 175.99 3dtd s LEU 163 N -3.37 3.83 0.00 -3.56 2.96 0.73 -4.82 118.68 114.45 3dtd s LEU 163 Ca 0.62 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 3dtd s LEU 163 Cb -0.09 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3dtd s LEU 163 CO 0.17 -0.25 0.30 0.59 -1.32 0.00 0.00 176.35 175.84 3dtd n ASN 164 N 4.45 0.60 -0.66 3.68 3.02 -1.26 -1.60 115.26 123.49 3dtd n ASN 164 Ca -0.10 -0.83 0.12 0.00 -0.03 0.00 0.00 54.58 53.73 3dtd n ASN 164 Cb 0.42 0.24 0.36 0.00 -0.61 0.00 0.00 39.78 40.19 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 -0.24 2.00 -4.85 6.41 3.85 -1.26 -4.69 116.55 117.76 3dtd n ASP 165 Ca 0.00 -1.73 -0.34 0.00 -0.71 0.00 0.00 54.79 52.01 3dtd n ASP 165 Cb 0.03 -0.10 -0.06 0.00 -1.35 0.00 0.00 41.12 39.65 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 -1.68 4.29 0.21 -2.12 1.02 -1.26 -5.02 118.68 114.12 3dtd s LEU 166 Ca 0.34 1.02 -0.17 0.00 0.02 0.00 0.00 54.13 55.34 3dtd s LEU 166 Cb 0.19 -3.36 0.02 0.00 0.02 0.00 0.00 46.19 43.07 3dtd s LEU 166 CO 0.29 0.06 0.53 0.72 0.02 0.00 0.00 176.35 177.97 3dtd s PHE 167 N -1.55 -0.06 -0.11 0.29 -0.12 -1.26 -0.96 117.98 114.21 3dtd s PHE 167 Ca 0.40 -0.29 0.03 0.00 -0.05 0.00 0.00 56.93 57.01 3dtd s PHE 167 Cb -0.14 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.63 3dtd s PHE 167 CO 0.20 -0.95 -0.20 0.08 -0.05 0.00 0.00 175.22 174.30 3dtd s VAL 168 N -3.90 2.46 0.12 -2.49 1.01 -0.02 -4.93 120.40 112.66 3dtd s VAL 168 Ca 0.11 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 3dtd s VAL 168 Cb -0.01 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 3dtd s VAL 168 CO -0.01 0.55 1.01 -1.10 0.00 0.00 0.00 175.10 175.56 3dtd s GLN 169 N 0.29 4.65 0.00 2.72 -0.21 -1.26 -0.28 119.66 125.57 3dtd s GLN 169 Ca -0.15 1.54 0.19 0.00 0.02 0.00 0.00 55.36 56.97 3dtd s GLN 169 Cb -0.17 -3.35 0.46 0.00 1.00 0.00 0.00 33.01 30.95 3dtd s GLN 169 CO 0.07 0.14 1.38 1.28 -2.12 0.00 0.00 175.29 176.04 3dtd n LEU 170 N 2.79 3.44 -4.62 2.90 4.77 0.09 -4.92 117.00 121.44 3dtd n LEU 170 Ca 0.03 -1.78 -0.43 0.00 -0.03 0.00 0.00 56.01 53.80 3dtd n LEU 170 Cb 0.48 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3dtd n LEU 170 CO 0.52 0.81 1.59 0.21 -1.33 0.00 0.00 177.39 179.19 3dtd s ASN 171 N -1.14 6.00 0.00 -1.43 3.84 -1.26 -1.65 114.94 119.29 3dtd s ASN 171 Ca 0.37 1.80 0.00 0.00 0.21 0.00 0.00 52.86 55.24 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 -1.54 0.00 0.61 -2.79 0.00 0.00 177.10 173.65 3dtd n GLY 172 N 5.15 0.34 0.12 1.21 0.00 -1.26 -0.71 105.19 110.03 3dtd n GLY 172 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.14 -0.17 1.61 3.57 -1.56 -1.17 116.94 119.09 3dtd h PHE 173 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3dtd h PHE 173 Cb 0.00 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3dtd h PHE 173 CO 0.00 -0.11 0.11 1.03 -2.23 0.00 0.00 178.31 177.11 3dtd h SER 174 N -0.02 0.20 -0.32 0.41 0.87 -1.83 -0.27 113.55 112.59 3dtd h SER 174 Ca 0.10 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 3dtd h SER 174 Cb 0.18 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3dtd h SER 174 CO -0.23 0.16 -0.14 0.78 -0.53 0.00 0.00 176.83 176.88 3dtd h ASN 175 N 0.22 0.76 0.03 6.23 2.35 -1.92 -1.24 115.58 122.01 3dtd h ASN 175 Ca 0.06 -0.24 -0.13 0.00 -0.55 0.00 0.00 56.30 55.45 3dtd h ASN 175 Cb -0.01 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3dtd h ASN 175 CO -0.01 0.91 -0.40 0.00 -1.65 0.00 0.00 177.43 176.27 3dtd h ALA 176 N 1.16 0.92 -0.26 -0.83 0.00 -1.04 -2.38 119.26 116.83 3dtd h ALA 176 Ca 0.11 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 3dtd h ALA 176 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dtd h ALA 176 CO 0.04 0.63 -0.47 1.25 0.00 0.00 0.00 179.25 180.70 3dtd h LEU 177 N 0.40 0.74 -1.10 0.00 5.85 -0.84 -2.06 115.31 118.30 3dtd h LEU 177 Ca 0.04 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.40 3dtd h LEU 177 Cb 0.88 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 3dtd h LEU 177 CO 0.07 1.10 0.61 0.78 -0.34 0.00 0.00 178.44 180.66 3dtd h ASN 178 N 0.54 1.05 -0.41 1.25 2.35 -1.13 -0.82 115.58 118.42 3dtd h ASN 178 Ca 0.03 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 3dtd h ASN 178 Cb 1.02 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 3dtd h ASN 178 CO 0.10 0.76 -0.15 -0.09 -1.65 0.00 0.00 177.43 176.40 3dtd h ARG 179 N 1.24 0.88 -0.53 0.81 9.65 -1.30 -1.12 114.38 124.01 3dtd h ARG 179 Ca 0.34 -0.33 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3dtd h ARG 179 Cb -0.14 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 3dtd h ARG 179 CO -0.08 0.97 0.12 -0.07 2.80 0.00 0.00 179.97 183.71 3dtd h LEU 180 N 0.78 0.77 -0.34 3.80 4.07 -0.83 0.83 115.31 124.39 3dtd h LEU 180 Ca 0.12 -0.14 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 3dtd h LEU 180 Cb 0.68 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 3dtd h LEU 180 CO 0.05 0.76 0.00 0.40 -1.08 0.00 0.00 178.44 178.57 3dtd h ILE 181 N 0.79 1.26 -0.28 1.22 2.04 -0.99 -2.69 117.51 118.85 3dtd h ILE 181 Ca 0.17 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 3dtd h ILE 181 Cb 0.31 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3dtd h ILE 181 CO 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 178.15 178.42 3dtd h ALA 182 N 0.86 1.40 0.00 1.87 0.00 -0.87 -2.73 119.26 119.78 3dtd h ALA 182 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3dtd h ALA 182 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3dtd h ALA 182 CO 0.02 0.42 -0.22 -0.07 0.00 0.00 0.00 179.25 179.40 3dtd h LEU 183 N 0.42 0.00 -0.45 0.00 3.38 -0.79 -2.94 115.31 114.93 3dtd h LEU 183 Ca 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 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 0.02 0.22 -0.43 1.56 0.09 0.00 0.00 178.44 179.89 3dtd h GLN 184 N 0.00 0.82 -0.01 1.13 4.20 -1.16 -3.18 115.11 116.92 3dtd h GLN 184 Ca -0.00 -0.45 -0.11 0.00 0.06 0.00 0.00 58.65 58.15 3dtd h GLN 184 Cb 0.95 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 3dtd h GLN 184 CO 0.03 1.09 -0.52 0.87 -0.67 0.00 0.00 178.83 179.62 3dtd h LYS 185 N 0.66 0.02 0.00 1.46 1.57 -1.48 -3.52 116.57 115.28 3dtd h LYS 185 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3dtd h LYS 185 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3dtd h LYS 185 CO 0.10 0.54 0.00 0.39 -0.57 0.00 0.00 179.45 179.90