#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 4.48 -0.10 2.46 2.96 -1.26 -4.84 118.68 122.38 3dtd s LEU 43 Ca 0.00 2.06 -0.30 0.00 -0.22 0.00 0.00 54.13 55.67 3dtd s LEU 43 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 3dtd s LEU 43 CO 0.00 -0.23 1.02 -0.89 -1.32 0.00 0.00 176.35 174.94 3dtd s THR 44 N -0.12 4.74 0.04 3.68 2.01 -1.26 -4.66 115.64 120.06 3dtd s THR 44 Ca 0.50 2.01 -0.04 0.00 0.31 0.00 0.00 61.69 64.46 3dtd s THR 44 Cb -0.29 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 3dtd s THR 44 CO 0.34 0.01 0.25 -1.61 -0.69 0.00 0.00 174.62 172.92 3dtd s GLU 45 N 2.02 3.52 -0.11 4.92 2.02 -0.34 -4.93 118.70 125.80 3dtd s GLU 45 Ca 0.49 -0.22 0.02 0.00 0.02 0.00 0.00 54.97 55.28 3dtd s GLU 45 Cb -0.19 -3.04 0.01 0.00 0.10 0.00 0.00 34.13 31.02 3dtd s GLU 45 CO 0.18 0.62 -0.16 0.99 0.02 0.00 0.00 175.26 176.91 3dtd s THR 46 N -1.41 1.58 -0.33 3.63 2.01 -1.26 -0.81 115.64 119.05 3dtd s THR 46 Ca 0.31 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.62 3dtd s THR 46 Cb -0.13 -1.44 0.10 0.00 0.01 0.00 0.00 72.50 71.05 3dtd s THR 46 CO 0.21 0.46 0.11 -0.31 -0.69 0.00 0.00 174.62 174.39 3dtd s TYR 47 N 0.96 2.15 0.00 4.92 2.02 0.48 -5.01 117.35 122.87 3dtd s TYR 47 Ca -0.07 -2.08 0.00 0.00 -0.37 0.00 0.00 57.07 54.55 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 0.00 175.55 173.49 3dtd n GLY 48 N 4.56 2.76 0.27 0.71 0.00 -1.26 -1.01 105.19 111.21 3dtd n GLY 48 Ca 0.01 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 1.31 -4.89 0.99 4.77 0.75 -4.95 117.00 114.97 3dtd n LEU 49 Ca 0.00 -0.43 -0.34 0.00 -0.03 0.00 0.00 56.01 55.21 3dtd n LEU 49 Cb 0.00 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 3dtd n LEU 49 CO 0.00 0.26 -0.08 0.26 -1.33 0.00 0.00 177.39 176.49 3dtd s TRP 50 N -2.62 3.57 0.14 -1.77 0.52 -0.18 -4.81 118.94 113.79 3dtd s TRP 50 Ca 0.19 0.53 0.09 0.00 0.02 0.00 0.00 56.10 56.92 3dtd s TRP 50 Cb 0.18 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 3dtd s TRP 50 CO 0.60 0.62 -0.13 -1.12 0.02 0.00 0.00 176.95 176.95 3dtd s SER 51 N -1.72 4.13 -0.09 2.95 0.01 -0.09 -0.39 113.70 118.50 3dtd s SER 51 Ca 0.27 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 57.01 3dtd s SER 51 Cb -0.13 -0.67 0.02 0.00 0.21 0.00 0.00 66.02 65.44 3dtd s SER 51 CO 0.16 0.15 -0.12 -0.63 0.41 0.00 0.00 173.24 173.21 3dtd s ILE 52 N -1.38 1.25 0.02 1.44 1.01 0.01 -0.44 121.20 123.11 3dtd s ILE 52 Ca 0.21 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.43 3dtd s ILE 52 Cb -0.10 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 3dtd s ILE 52 CO 0.13 0.39 -0.19 0.20 0.00 0.00 0.00 174.94 175.47 3dtd s ASN 53 N 1.02 2.31 0.15 3.58 -0.87 -0.91 -1.19 114.94 119.03 3dtd s ASN 53 Ca -0.07 -0.45 0.10 0.00 -1.57 0.00 0.00 52.86 50.87 3dtd s ASN 53 Cb -0.15 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.25 40.83 3dtd s ASN 53 CO -0.01 0.17 -0.22 0.00 -2.57 0.00 0.00 177.10 174.47 3dtd s GLY 55 N -2.35 -0.33 0.56 0.00 0.00 -0.50 -4.69 107.32 100.01 3dtd s GLY 55 Ca 0.18 1.46 -0.15 0.00 0.00 0.00 0.00 44.72 46.21 3dtd s GLY 55 CO 0.09 0.43 1.02 -0.26 0.00 0.00 0.00 173.10 174.38 3dtd s ILE 56 N -2.10 4.34 0.00 0.90 -4.36 -1.26 -0.47 121.20 118.24 3dtd s ILE 56 Ca 0.13 1.03 0.00 0.00 -0.26 0.00 0.00 60.65 61.55 3dtd s ILE 56 Cb 0.02 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 40.10 3dtd s ILE 56 CO -0.04 -0.72 0.00 0.00 0.24 0.00 0.00 174.94 174.41 3dtd n GLN 57 N -1.99 2.42 -2.78 0.37 6.02 -1.26 -4.90 117.38 115.25 3dtd n GLN 57 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 3dtd n GLN 57 Cb 0.54 -0.65 -0.04 0.00 1.02 0.00 0.00 30.24 31.11 3dtd n GLN 57 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3dtd s LYS 61 N -1.02 3.21 -0.14 -1.09 2.20 -1.26 -5.30 119.74 116.34 3dtd s LYS 61 Ca 0.00 -0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 55.06 3dtd s LYS 61 Cb 0.00 -4.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.13 3dtd s LYS 61 CO 0.00 -1.77 0.01 0.54 -0.36 0.00 0.00 175.35 173.77 3dtd s VAL 62 N 4.37 4.34 -0.14 4.02 0.11 0.38 -4.88 120.40 128.60 3dtd s VAL 62 Ca 0.28 -0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 3dtd s VAL 62 Cb -0.14 -2.89 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 3dtd s VAL 62 CO 0.14 0.53 -0.08 0.00 -3.33 0.00 0.00 175.10 172.36 3dtd s PHE 64 N 0.24 1.89 -0.17 0.00 -0.12 -0.35 -4.53 117.98 114.93 3dtd s PHE 64 Ca -0.05 -0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 56.36 3dtd s PHE 64 Cb -0.15 -0.94 -0.01 0.00 -0.63 0.00 0.00 43.02 41.29 3dtd s PHE 64 CO 0.04 0.35 -0.11 1.41 -0.05 0.00 0.00 175.22 176.86 3dtd s MET 65 N -2.75 3.33 0.06 1.99 1.75 0.73 -2.13 119.30 122.27 3dtd s MET 65 Ca 0.16 -0.68 -0.06 0.00 -1.25 0.00 0.00 55.69 53.86 3dtd s MET 65 Cb -0.06 -2.76 -0.01 0.00 2.84 0.00 0.00 34.83 34.83 3dtd s MET 65 CO 0.07 0.00 0.12 -3.38 -0.65 0.00 0.00 175.02 171.18 3dtd s HIS 66 N 0.89 0.23 -0.18 4.11 -3.43 0.41 0.32 115.29 117.64 3dtd s HIS 66 Ca -0.03 -0.61 -0.13 0.00 -0.80 0.00 0.00 55.06 53.49 3dtd s HIS 66 Cb -0.15 -0.15 0.05 0.00 -1.43 0.00 0.00 32.58 30.91 3dtd s HIS 66 CO -0.00 -0.44 0.47 0.50 -2.00 0.00 0.00 174.74 173.27 3dtd s ARG 67 N -3.28 0.50 0.03 -0.38 6.06 -0.49 -0.92 118.95 120.47 3dtd s ARG 67 Ca 0.01 0.77 0.07 0.00 -2.50 0.00 0.00 55.73 54.07 3dtd s ARG 67 Cb 0.03 0.13 -0.03 0.00 0.06 0.00 0.00 34.95 35.14 3dtd s ARG 67 CO -0.08 -0.11 -0.17 -0.65 -2.50 0.00 0.00 175.30 171.79 3dtd s GLN 68 N 0.87 2.14 -0.08 5.12 -0.21 -1.26 -0.96 119.66 125.28 3dtd s GLN 68 Ca -0.05 -0.94 0.03 0.00 0.02 0.00 0.00 55.36 54.42 3dtd s GLN 68 Cb -0.06 -2.22 -0.02 0.00 1.00 0.00 0.00 33.01 31.72 3dtd s GLN 68 CO -0.07 0.55 -0.16 -1.21 -2.12 0.00 0.00 175.29 172.28 3dtd s GLU 69 N -1.34 2.85 0.28 2.91 0.41 0.59 -5.00 118.70 119.40 3dtd s GLU 69 Ca 0.14 -0.74 0.10 0.00 -0.41 0.00 0.00 54.97 54.06 3dtd s GLU 69 Cb -0.11 -2.42 -0.05 0.00 -1.78 0.00 0.00 34.13 29.78 3dtd s GLU 69 CO 0.05 0.41 -0.06 0.14 -0.49 0.00 0.00 175.26 175.31 3dtd s VAL 70 N -0.18 3.00 0.01 2.63 -7.23 -1.26 -1.27 120.40 116.10 3dtd s VAL 70 Ca -0.01 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3dtd s VAL 70 Cb -0.13 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3dtd s VAL 70 CO 0.03 -0.35 0.01 -0.46 -0.31 0.00 0.00 175.10 174.03 3dtd n ASN 71 N -0.83 0.01 0.29 4.85 0.23 -0.89 -4.90 115.26 114.03 3dtd n ASN 71 Ca -0.06 -1.01 0.18 0.00 -0.53 0.00 0.00 54.58 53.17 3dtd n ASN 71 Cb 0.60 -0.01 0.80 0.00 -2.08 0.00 0.00 39.78 39.09 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 -0.01 0.00 -0.02 0.53 3.04 -2.02 -1.40 116.42 116.55 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 0.01 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.30 3dtd h ASP 72 CO 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 3dtd n GLN 73 N -3.05 1.36 -2.26 4.15 1.13 -1.26 -4.94 117.38 112.51 3dtd n GLN 73 Ca -0.00 -0.53 -0.17 0.00 -1.94 0.00 0.00 57.00 54.36 3dtd n GLN 73 Cb 0.25 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.11 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 -0.35 -5.01 -4.76 1.08 5.15 -0.53 -5.03 115.26 105.81 3dtd n ASN 74 Ca 0.21 0.02 -0.33 0.00 -0.60 0.00 0.00 54.58 53.88 3dtd n ASN 74 Cb 0.24 -4.10 -0.07 0.00 -0.53 0.00 0.00 39.78 35.32 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 -4.74 3.01 -0.02 1.20 1.70 -1.26 -4.85 118.95 113.99 3dtd s ARG 75 Ca 0.00 -0.51 -0.30 0.00 -0.47 0.00 0.00 55.73 54.45 3dtd s ARG 75 Cb 0.00 -2.82 -0.05 0.00 -0.57 0.00 0.00 34.95 31.51 3dtd s ARG 75 CO 0.00 0.64 1.45 0.08 -1.08 0.00 0.00 175.30 176.39 3dtd s VAL 76 N -1.16 3.69 -0.20 4.99 1.01 -1.26 -2.09 120.40 125.38 3dtd s VAL 76 Ca 0.22 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3dtd s VAL 76 Cb -0.12 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 3dtd s VAL 76 CO 0.13 -0.03 -0.18 0.52 0.00 0.00 0.00 175.10 175.54 3dtd n VAL 77 N 4.88 1.12 -3.92 2.92 0.31 -0.39 -4.98 118.33 118.27 3dtd n VAL 77 Ca 0.14 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.94 3dtd n VAL 77 Cb 0.43 -1.26 -0.13 0.00 -0.91 0.00 0.00 33.84 31.97 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 0.06 0.04 2.52 0.11 -1.18 -3.68 120.40 115.88 3dtd s VAL 78 Ca -0.27 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 3dtd s VAL 78 Cb 0.07 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.80 3dtd s VAL 78 CO 0.44 -0.12 -0.06 0.00 -3.33 0.00 0.00 175.10 172.02 3dtd s ALA 79 N -0.39 0.51 -0.03 1.54 0.00 -0.85 -0.30 121.76 122.25 3dtd s ALA 79 Ca -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3dtd s ALA 79 Cb -0.03 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3dtd s ALA 79 CO -0.00 -0.09 -0.04 1.41 0.00 0.00 0.00 175.76 177.04 3dtd s MET 80 N -1.88 0.61 -0.03 0.00 1.75 -0.13 -0.23 119.30 119.39 3dtd s MET 80 Ca -0.08 -0.09 0.04 0.00 -1.25 0.00 0.00 55.69 54.30 3dtd s MET 80 Cb -0.08 -0.65 -0.00 0.00 2.84 0.00 0.00 34.83 36.94 3dtd s MET 80 CO -0.01 -0.04 -0.14 0.45 -0.65 0.00 0.00 175.02 174.63 3dtd s SER 81 N 0.65 1.81 -0.01 1.11 0.15 -0.35 -1.40 113.70 115.65 3dtd s SER 81 Ca -0.08 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.28 3dtd s SER 81 Cb -0.11 -0.46 0.01 0.00 -1.71 0.00 0.00 66.02 63.75 3dtd s SER 81 CO -0.00 0.13 0.00 -0.69 1.20 0.00 0.00 173.24 173.88 3dtd s VAL 82 N 0.04 0.04 0.26 4.45 1.01 0.15 -1.26 120.40 125.09 3dtd s VAL 82 Ca -0.02 0.05 0.12 0.00 0.00 0.00 0.00 61.98 62.12 3dtd s VAL 82 Cb -0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 3dtd s VAL 82 CO 0.01 0.05 -0.20 0.68 0.00 0.00 0.00 175.10 175.64 3dtd s VAL 83 N 0.38 2.51 -0.34 2.92 -7.23 0.27 -0.19 120.40 118.71 3dtd s VAL 83 Ca -0.03 -2.28 -0.13 0.00 -1.81 0.00 0.00 61.98 57.73 3dtd s VAL 83 Cb -0.05 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 3dtd s VAL 83 CO -0.01 -0.32 0.26 -0.22 -0.31 0.00 0.00 175.10 174.49 3dtd s LEU 84 N -3.30 4.50 0.81 1.32 0.20 -1.26 -2.31 118.68 118.64 3dtd s LEU 84 Ca 0.28 -0.38 -0.12 0.00 0.69 0.00 0.00 54.13 54.60 3dtd s LEU 84 Cb -0.06 -2.17 0.08 0.00 -0.43 0.00 0.00 46.19 43.61 3dtd s LEU 84 CO 0.14 -0.25 1.14 0.20 -0.29 0.00 0.00 176.35 177.29 3dtd s ASN 85 N 1.73 4.44 0.43 3.68 0.01 -0.22 -4.96 114.94 120.03 3dtd s ASN 85 Ca 0.07 0.97 0.12 0.00 -0.71 0.00 0.00 52.86 53.31 3dtd s ASN 85 Cb -0.17 -1.58 0.93 0.00 0.41 0.00 0.00 41.25 40.84 3dtd s ASN 85 CO 0.11 -1.97 1.99 0.00 -1.51 0.00 0.00 177.10 175.72 3dtd h ALA 86 N -1.09 1.66 -0.13 0.60 0.00 -1.99 -2.11 119.26 116.20 3dtd h ALA 86 Ca -0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3dtd h ALA 86 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3dtd h ALA 86 CO 0.64 0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.74 3dtd n ASP 87 N -4.34 1.17 0.00 0.00 5.75 -1.26 -4.90 116.55 112.97 3dtd n ASP 87 Ca -0.01 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3dtd n ASP 87 Cb 0.22 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 1.00 0.75 3.77 6.12 0.00 -0.79 -5.06 105.19 110.98 3dtd n GLY 88 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3dtd n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dtd s VAL 89 N -2.05 4.93 -0.26 1.61 1.01 -1.26 -4.85 120.40 119.54 3dtd s VAL 89 Ca 0.00 1.20 -0.16 0.00 0.00 0.00 0.00 61.98 63.01 3dtd s VAL 89 Cb 0.00 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3dtd s VAL 89 CO 0.00 0.43 0.43 -0.69 0.00 0.00 0.00 175.10 175.26 3dtd s VAL 90 N -0.23 5.14 0.24 2.92 1.01 -1.25 -1.06 120.40 127.17 3dtd s VAL 90 Ca 0.30 0.69 -0.08 0.00 0.00 0.00 0.00 61.98 62.89 3dtd s VAL 90 Cb -0.18 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 3dtd s VAL 90 CO 0.16 0.14 0.38 -0.94 0.00 0.00 0.00 175.10 174.84 3dtd s SER 91 N 1.54 0.07 0.00 3.32 1.04 -0.98 -1.04 113.70 117.65 3dtd s SER 91 Ca 0.18 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3dtd s SER 91 Cb -0.16 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3dtd s SER 91 CO 0.09 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.86 3dtd n GLY 92 N -0.37 -0.62 2.97 7.32 0.00 -0.71 -0.57 105.19 113.22 3dtd n GLY 92 Ca -0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 0.72 -0.14 1.61 0.01 -0.38 -1.64 114.94 111.12 3dtd s ASN 93 Ca 0.00 -0.11 -0.03 0.00 -0.71 0.00 0.00 52.86 52.01 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 0.07 -0.03 -0.22 -1.51 0.00 0.00 177.10 175.41 3dtd s LEU 94 N -0.13 3.31 -0.26 0.60 2.96 0.34 -1.21 118.68 124.29 3dtd s LEU 94 Ca 0.02 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.77 3dtd s LEU 94 Cb -0.03 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3dtd s LEU 94 CO -0.00 0.21 0.11 -0.89 -1.32 0.00 0.00 176.35 174.46 3dtd s THR 95 N 0.14 4.69 0.37 3.68 2.01 0.68 0.17 115.64 127.37 3dtd s THR 95 Ca -0.01 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.03 3dtd s THR 95 Cb -0.14 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 3dtd s THR 95 CO 0.03 0.31 0.14 0.68 -0.69 0.00 0.00 174.62 175.08 3dtd s VAL 96 N 1.64 2.68 1.01 3.82 -7.23 0.14 -2.01 120.40 120.46 3dtd s VAL 96 Ca 0.07 -1.74 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 3dtd s VAL 96 Cb -0.15 -2.95 0.20 0.00 0.56 0.00 0.00 36.38 34.03 3dtd s VAL 96 CO 0.06 -0.12 1.08 -2.84 -0.31 0.00 0.00 175.10 172.98 3dtd s PRO 97 N -3.85 0.29 0.82 4.82 0.02 -1.24 -1.21 135.00 134.65 3dtd s PRO 97 Ca 0.39 1.00 -0.11 0.00 0.02 0.00 0.00 61.00 62.30 3dtd s PRO 97 Cb 0.00 -1.68 0.08 0.00 0.02 0.00 0.00 34.50 32.92 3dtd s PRO 97 CO 0.22 -2.95 1.09 -0.06 -0.33 0.00 0.00 177.00 174.97 3dtd s PHE 98 N -2.68 2.53 0.00 6.54 0.08 -1.26 -4.25 117.98 118.94 3dtd s PHE 98 Ca 0.66 1.38 0.00 0.00 0.12 0.00 0.00 56.93 59.10 3dtd s PHE 98 Cb -0.22 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 3dtd s PHE 98 CO 0.60 -2.00 0.00 0.41 -0.10 0.00 0.00 175.22 174.13 3dtd n GLY 99 N -1.32 0.64 3.76 4.36 0.00 -1.26 -5.04 105.19 106.34 3dtd n GLY 99 Ca 0.08 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 5.03 -0.27 -0.61 -1.09 -1.26 -0.50 121.20 120.50 3dtd s ILE 100 Ca 0.00 1.06 -0.28 0.00 -2.23 0.00 0.00 60.65 59.20 3dtd s ILE 100 Cb 0.00 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3dtd s ILE 100 CO 0.00 0.42 1.89 -0.22 -1.23 0.00 0.00 174.94 175.80 3dtd s LEU 101 N -0.07 3.58 0.35 2.97 2.96 0.21 -4.59 118.68 124.09 3dtd s LEU 101 Ca 0.28 1.56 0.17 0.00 -0.22 0.00 0.00 54.13 55.92 3dtd s LEU 101 Cb -0.17 -3.52 0.54 0.00 0.50 0.00 0.00 46.19 43.54 3dtd s LEU 101 CO 0.14 -1.69 1.67 0.58 -1.32 0.00 0.00 176.35 175.73 3dtd h VAL 102 N 6.76 0.93 0.00 1.68 2.07 -1.95 -3.03 116.25 122.71 3dtd h VAL 102 Ca -0.36 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3dtd h VAL 102 Cb 1.19 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3dtd h VAL 102 CO 1.00 0.42 -0.05 0.77 0.02 0.00 0.00 177.57 179.73 3dtd h SER 103 N 0.00 0.00 -2.79 0.57 4.64 -1.96 -3.41 113.55 110.60 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 1.01 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 3dtd h SER 103 CO 0.06 0.00 -0.49 -0.54 -0.87 0.00 0.00 176.83 174.99 3dtd s LYS 104 N -3.18 3.44 0.79 4.77 1.02 -1.15 -5.09 119.74 120.34 3dtd s LYS 104 Ca 0.08 -0.30 -0.11 0.00 0.02 0.00 0.00 55.97 55.66 3dtd s LYS 104 Cb 0.08 -3.11 0.06 0.00 -0.52 0.00 0.00 37.83 34.34 3dtd s LYS 104 CO 0.65 0.69 1.09 -2.14 -0.92 0.00 0.00 175.35 174.72 3dtd s PRO 105 N -1.83 2.18 -0.25 -1.68 0.02 -1.26 -4.81 135.00 127.37 3dtd s PRO 105 Ca 0.26 0.73 -0.09 0.00 0.02 0.00 0.00 61.00 61.93 3dtd s PRO 105 Cb -0.13 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 3dtd s PRO 105 CO 0.17 -1.58 0.11 0.08 -0.33 0.00 0.00 177.00 175.45 3dtd s VAL 106 N -3.11 4.76 -0.21 3.83 1.01 0.31 -4.51 120.40 122.49 3dtd s VAL 106 Ca 0.60 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 3dtd s VAL 106 Cb -0.15 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3dtd s VAL 106 CO 0.55 0.33 0.16 -0.60 0.00 0.00 0.00 175.10 175.54 3dtd s ARG 107 N 1.41 4.16 -0.14 2.72 3.52 0.67 -1.53 118.95 129.75 3dtd s ARG 107 Ca 0.06 -0.20 -0.00 0.00 -0.13 0.00 0.00 55.73 55.46 3dtd s ARG 107 Cb -0.15 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.77 3dtd s ARG 107 CO 0.05 0.21 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.12 3dtd s LEU 108 N 0.61 2.68 -0.02 -0.88 1.02 0.49 -0.85 118.68 121.73 3dtd s LEU 108 Ca 0.09 -0.37 0.00 0.00 0.02 0.00 0.00 54.13 53.87 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 0.13 0.03 -1.58 0.02 0.00 0.00 176.35 174.96 3dtd s GLN 109 N 0.56 -0.03 -0.50 1.70 0.74 -0.37 -1.03 119.66 120.72 3dtd s GLN 109 Ca -0.08 0.18 -0.28 0.00 0.05 0.00 0.00 55.36 55.22 3dtd s GLN 109 Cb -0.16 -0.24 0.03 0.00 1.10 0.00 0.00 33.01 33.74 3dtd s GLN 109 CO 0.04 -0.16 1.12 0.08 -0.55 0.00 0.00 175.29 175.82 3dtd s VAL 110 N 1.02 4.19 0.00 1.34 1.01 -1.15 0.66 120.40 127.47 3dtd s VAL 110 Ca -0.09 1.07 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3dtd s VAL 110 Cb -0.12 -4.62 0.00 0.00 0.00 0.00 0.00 36.38 31.64 3dtd s VAL 110 CO -0.03 -1.08 0.00 0.47 0.00 0.00 0.00 175.10 174.47 3dtd n ASP 111 N 7.90 0.00 -1.19 3.32 8.00 -0.59 -2.27 116.55 131.72 3dtd n ASP 111 Ca 0.10 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.55 3dtd n ASP 111 Cb 0.49 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.78 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 1.88 -0.27 -1.24 1.02 -1.26 -4.80 120.64 129.96 3dtd n GLU 112 Ca 0.00 -3.24 0.00 0.00 -0.02 0.00 0.00 57.16 53.90 3dtd n GLU 112 Cb 0.00 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 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 -1.12 1.10 0.10 0.62 0.00 -0.96 -5.03 105.19 99.90 3dtd n GLY 113 Ca 0.34 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.53 3dtd n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dtd h LYS 114 N 0.00 0.00 -6.04 1.61 1.57 -1.96 -3.44 116.57 108.30 3dtd h LYS 114 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 3dtd h LYS 114 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 3dtd h LYS 114 CO 0.00 0.00 1.20 0.00 -0.57 0.00 0.00 179.45 180.08 3dtd s ALA 115 N -3.20 2.39 -0.15 3.86 0.00 -1.26 -4.96 121.76 118.44 3dtd s ALA 115 Ca 0.06 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.33 3dtd s ALA 115 Cb 0.12 -4.46 0.01 0.00 0.00 0.00 0.00 23.12 18.79 3dtd s ALA 115 CO 0.71 -3.89 -0.21 0.08 0.00 0.00 0.00 175.76 172.45 3dtd s VAL 116 N 6.90 2.10 -0.08 0.00 1.01 -1.26 -2.93 120.40 126.13 3dtd s VAL 116 Ca 0.52 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3dtd s VAL 116 Cb -0.05 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3dtd s VAL 116 CO 0.01 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 174.89 3dtd s ILE 117 N 0.98 3.07 -0.23 2.22 1.01 -0.20 -4.99 121.20 123.07 3dtd s ILE 117 Ca -0.03 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.95 3dtd s ILE 117 Cb -0.15 -2.24 0.04 0.00 0.01 0.00 0.00 42.46 40.13 3dtd s ILE 117 CO -0.06 0.56 -0.14 -0.70 0.00 0.00 0.00 174.94 174.60 3dtd s GLU 118 N -0.30 2.61 0.23 2.79 2.12 -1.26 -0.37 118.70 124.52 3dtd s GLU 118 Ca 0.02 -1.10 0.04 0.00 0.36 0.00 0.00 54.97 54.29 3dtd s GLU 118 Cb -0.13 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.48 3dtd s GLU 118 CO 0.03 -0.40 0.14 -2.37 -0.54 0.00 0.00 175.26 172.11 3dtd n THR 119 N 4.53 0.00 -4.20 -1.70 5.66 -0.58 -4.96 114.28 113.04 3dtd n THR 119 Ca -0.17 -1.51 -0.12 0.00 -3.05 0.00 0.00 64.05 59.20 3dtd n THR 119 Cb 0.46 0.65 -0.10 0.00 -1.55 0.00 0.00 70.33 69.79 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 -2.52 1.41 0.14 1.09 0.00 -1.26 0.12 107.32 106.30 3dtd s GLY 120 Ca 0.19 -1.68 -0.31 0.00 0.00 0.00 0.00 44.72 42.92 3dtd s GLY 120 CO 0.14 -1.39 1.42 -0.42 0.00 0.00 0.00 173.10 172.84 3dtd s ILE 121 N -4.15 3.12 -0.14 0.90 1.01 -1.26 -4.21 121.20 116.46 3dtd s ILE 121 Ca 0.38 0.83 -0.21 0.00 0.00 0.00 0.00 60.65 61.65 3dtd s ILE 121 Cb 0.07 -3.53 -0.24 0.00 0.01 0.00 0.00 42.46 38.76 3dtd s ILE 121 CO 0.12 0.08 0.51 -0.09 0.00 0.00 0.00 174.94 175.56 3dtd h ARG 122 N 6.51 0.11 -2.80 2.79 2.43 -1.35 -3.49 114.38 118.57 3dtd h ARG 122 Ca -0.43 -0.18 0.10 0.00 -0.81 0.00 0.00 59.98 58.66 3dtd h ARG 122 Cb 1.21 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.76 3dtd h ARG 122 CO 0.86 1.09 0.31 -0.08 -1.51 0.00 0.00 179.97 180.63 3dtd s THR 123 N -2.37 0.00 0.06 0.20 -1.32 -1.24 -5.04 115.64 105.93 3dtd s THR 123 Ca -0.22 -0.83 0.08 0.00 -1.21 0.00 0.00 61.69 59.51 3dtd s THR 123 Cb 0.03 -1.92 -0.03 0.00 -1.51 0.00 0.00 72.50 69.07 3dtd s THR 123 CO 0.69 0.00 -0.22 0.00 -2.21 0.00 0.00 174.62 172.89 3dtd s VAL 125 N -0.86 0.98 0.52 0.00 -7.23 0.37 -4.97 120.40 109.21 3dtd s VAL 125 Ca 0.08 -2.00 0.28 0.00 -1.81 0.00 0.00 61.98 58.53 3dtd s VAL 125 Cb -0.09 -2.53 0.44 0.00 0.56 0.00 0.00 36.38 34.76 3dtd s VAL 125 CO 0.02 0.00 1.92 -0.65 -0.31 0.00 0.00 175.10 176.08 3dtd h PRO 126 N 1.86 0.05 0.00 4.82 0.11 -2.04 -1.43 132.00 135.37 3dtd h PRO 126 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3dtd h PRO 126 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dtd h PRO 126 CO 0.65 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.48 3dtd h ALA 127 N 1.62 1.00 0.00 -0.75 0.00 -1.99 -3.49 119.26 115.64 3dtd h ALA 127 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3dtd h ALA 127 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3dtd h ALA 127 CO -0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.63 3dtd n GLY 128 N 0.40 0.94 3.74 0.00 0.00 -0.54 -4.93 105.19 104.79 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 0.32 5.23 -0.31 0.00 -1.09 0.15 -0.68 121.20 124.83 3dtd s ILE 130 Ca 0.19 0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 59.13 3dtd s ILE 130 Cb -0.14 -3.67 0.05 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 1.45 3.08 0.31 2.92 1.01 0.13 -0.79 120.40 128.52 3dtd s VAL 131 Ca 0.15 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.48 3dtd s VAL 131 Cb -0.15 -2.78 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 3dtd s VAL 131 CO 0.08 -0.13 1.15 -2.84 0.00 0.00 0.00 175.10 173.36 3dtd s PRO 132 N 1.27 4.47 -0.03 2.72 0.02 -1.26 -0.51 135.00 141.68 3dtd s PRO 132 Ca -0.05 1.87 0.01 0.00 0.02 0.00 0.00 61.00 62.85 3dtd s PRO 132 Cb -0.20 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.29 3dtd s PRO 132 CO -0.01 0.04 -0.02 0.96 -0.33 0.00 0.00 177.00 177.64 3dtd s ILE 133 N -1.23 0.36 -0.07 2.83 -4.36 -0.65 -4.76 121.20 113.32 3dtd s ILE 133 Ca 0.48 -0.03 0.05 0.00 -0.26 0.00 0.00 60.65 60.88 3dtd s ILE 133 Cb -0.33 -0.41 -0.00 0.00 1.25 0.00 0.00 42.46 42.97 3dtd s ILE 133 CO 0.42 0.18 -0.22 -0.69 0.24 0.00 0.00 174.94 174.87 3dtd s VAL 134 N 0.87 1.86 -0.20 8.37 1.01 -1.26 -1.74 120.40 129.31 3dtd s VAL 134 Ca -0.10 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 3dtd s VAL 134 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3dtd s VAL 134 CO -0.01 0.52 0.00 -0.36 0.00 0.00 0.00 175.10 175.25 3dtd s PHE 135 N 0.13 3.04 0.87 5.22 2.99 -0.20 -5.01 117.98 125.02 3dtd s PHE 135 Ca -0.10 -0.45 -0.13 0.00 0.00 0.00 0.00 56.93 56.25 3dtd s PHE 135 Cb -0.15 -2.08 0.12 0.00 0.00 0.00 0.00 43.02 40.91 3dtd s PHE 135 CO 0.05 -0.23 1.21 0.16 -0.00 0.00 0.00 175.22 176.41 3dtd s ASP 136 N 0.98 3.92 0.33 1.36 1.47 -1.26 -3.93 116.67 119.55 3dtd s ASP 136 Ca 0.02 0.67 0.07 0.00 1.18 0.00 0.00 52.55 54.49 3dtd s ASP 136 Cb -0.14 -1.05 0.75 0.00 -0.34 0.00 0.00 42.92 42.14 3dtd s ASP 136 CO 0.02 -2.26 1.85 0.11 0.68 0.00 0.00 175.17 175.57 3dtd h LYS 137 N -1.31 0.74 -0.36 2.11 1.79 -1.99 -0.41 116.57 117.15 3dtd h LYS 137 Ca -0.46 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 57.81 3dtd h LYS 137 Cb 1.30 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 3dtd h LYS 137 CO 0.58 0.49 -0.40 -0.91 -1.08 0.00 0.00 179.45 178.13 3dtd h ASN 138 N 0.77 0.95 0.05 0.86 -0.26 -1.99 -2.47 115.58 113.48 3dtd h ASN 138 Ca 0.47 -0.44 -0.20 0.00 -0.56 0.00 0.00 56.30 55.57 3dtd h ASN 138 Cb 0.69 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 3dtd h ASN 138 CO -0.24 1.22 -0.75 0.22 -1.06 0.00 0.00 177.43 176.82 3dtd h TYR 139 N 0.72 0.82 -0.60 1.19 5.03 -1.72 -2.67 116.97 119.74 3dtd h TYR 139 Ca 0.06 -0.36 0.03 0.00 2.58 0.00 0.00 58.73 61.04 3dtd h TYR 139 Cb 0.98 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 39.10 3dtd h TYR 139 CO 0.06 1.16 0.36 0.28 -1.32 0.00 0.00 178.16 178.69 3dtd h VAL 140 N 0.41 1.04 -0.37 1.81 2.07 -1.12 -0.61 116.25 119.48 3dtd h VAL 140 Ca -0.04 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3dtd h VAL 140 Cb 1.36 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3dtd h VAL 140 CO 0.14 0.13 0.07 0.00 0.02 0.00 0.00 177.57 177.93 3dtd h ALA 141 N 1.28 1.44 -0.28 1.67 0.00 -1.39 -1.47 119.26 120.50 3dtd h ALA 141 Ca 0.25 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3dtd h ALA 141 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dtd h ALA 141 CO -0.12 0.41 -0.51 0.00 0.00 0.00 0.00 179.25 179.02 3dtd h ALA 142 N 1.55 0.56 -0.63 0.00 0.00 -1.10 -2.93 119.26 116.72 3dtd h ALA 142 Ca 0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3dtd h ALA 142 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3dtd h ALA 142 CO -0.00 0.68 0.30 -0.07 0.00 0.00 0.00 179.25 180.16 3dtd h LEU 143 N 0.62 0.80 -0.93 0.00 4.07 -0.67 -0.40 115.31 118.79 3dtd h LEU 143 Ca 0.02 -0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.79 3dtd h LEU 143 Cb 1.10 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 3dtd h LEU 143 CO 0.11 0.68 -0.48 0.03 -1.08 0.00 0.00 178.44 177.70 3dtd h ARG 144 N 0.89 0.14 -0.00 1.13 3.08 -1.24 -3.18 114.38 115.19 3dtd h ARG 144 Ca 0.22 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3dtd h ARG 144 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3dtd h ARG 144 CO -0.03 0.59 -0.75 0.00 -1.07 0.00 0.00 179.97 178.71 3dtd n ALA 145 N -2.46 4.17 -2.00 0.04 0.00 -1.05 -4.67 120.51 114.54 3dtd n ALA 145 Ca -0.02 -0.52 -0.24 0.00 0.00 0.00 0.00 53.44 52.66 3dtd n ALA 145 Cb 0.51 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.90 1.72 -0.16 0.00 0.00 -0.19 -5.05 107.32 100.73 3dtd s GLY 146 Ca 0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 3dtd s GLY 146 CO 0.76 -0.72 -0.17 0.28 0.00 0.00 0.00 173.10 173.25 3dtd n LYS 147 N -2.60 0.37 -4.65 2.90 5.02 -1.26 -4.70 118.16 113.23 3dtd n LYS 147 Ca 0.07 0.12 -0.23 0.00 -2.02 0.00 0.00 58.31 56.25 3dtd n LYS 147 Cb 0.60 -1.21 -0.15 0.00 -0.02 0.00 0.00 35.03 34.25 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 1.44 -0.49 2.13 3.76 -1.26 -0.67 115.29 117.88 3dtd s HIS 148 Ca -0.22 -0.30 -0.15 0.00 -0.15 0.00 0.00 55.06 54.24 3dtd s HIS 148 Cb 0.07 -0.90 0.09 0.00 1.11 0.00 0.00 32.58 32.95 3dtd s HIS 148 CO 0.33 0.00 0.42 -1.17 -0.85 0.00 0.00 174.74 173.47 3dtd s LEU 149 N -0.64 5.79 0.26 0.89 2.96 0.46 -1.54 118.68 126.85 3dtd s LEU 149 Ca 0.05 -1.50 -0.29 0.00 -0.22 0.00 0.00 54.13 52.17 3dtd s LEU 149 Cb -0.07 -2.18 -0.09 0.00 0.50 0.00 0.00 46.19 44.35 3dtd s LEU 149 CO 0.00 -0.71 0.95 -0.54 -1.32 0.00 0.00 176.35 174.73 3dtd s LYS 150 N 1.61 4.79 -0.04 1.98 1.02 0.21 -0.90 119.74 128.42 3dtd s LYS 150 Ca 0.04 1.48 0.05 0.00 0.02 0.00 0.00 55.97 57.55 3dtd s LYS 150 Cb -0.26 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 3dtd s LYS 150 CO 0.05 0.46 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.26 3dtd s LEU 151 N -1.37 2.62 -0.05 3.17 2.01 -0.09 -1.24 118.68 123.73 3dtd s LEU 151 Ca 0.43 -0.26 0.01 0.00 0.01 0.00 0.00 54.13 54.32 3dtd s LEU 151 Cb -0.25 -1.52 0.02 0.00 0.01 0.00 0.00 46.19 44.45 3dtd s LEU 151 CO 0.31 0.33 -0.04 0.00 1.01 0.00 0.00 176.35 177.96 3dtd s ALA 152 N -0.73 0.75 0.31 4.21 0.00 -0.03 -4.29 121.76 121.98 3dtd s ALA 152 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.91 3dtd s ALA 152 Cb -0.10 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 3dtd s ALA 152 CO 0.01 -0.09 0.46 0.00 0.00 0.00 0.00 175.76 176.13 3dtd s MET 153 N 1.09 1.79 -0.11 0.00 0.23 -0.63 -0.24 119.30 121.43 3dtd s MET 153 Ca -0.08 -1.64 0.00 0.00 -1.03 0.00 0.00 55.69 52.94 3dtd s MET 153 Cb -0.14 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.58 3dtd s MET 153 CO -0.01 -0.74 -0.12 0.99 -2.03 0.00 0.00 175.02 173.12 3dtd s THR 154 N -3.32 3.20 0.03 3.16 2.01 -1.26 -0.36 115.64 119.09 3dtd s THR 154 Ca 0.29 -0.63 -0.28 0.00 0.31 0.00 0.00 61.69 61.38 3dtd s THR 154 Cb 0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 3dtd s THR 154 CO 0.17 0.54 0.89 -0.63 -0.69 0.00 0.00 174.62 174.90 3dtd s ILE 155 N 0.03 4.76 -1.17 1.82 1.01 0.25 0.66 121.20 128.55 3dtd s ILE 155 Ca -0.04 1.88 -0.20 0.00 0.00 0.00 0.00 60.65 62.29 3dtd s ILE 155 Cb -0.14 -4.24 0.05 0.00 0.01 0.00 0.00 42.46 38.14 3dtd s ILE 155 CO 0.04 0.26 1.66 0.00 0.00 0.00 0.00 174.94 176.90 3dtd s ALA 156 N 0.45 2.93 0.11 9.38 0.00 0.34 -3.88 121.76 131.09 3dtd s ALA 156 Ca 0.46 -2.57 -0.12 0.00 0.00 0.00 0.00 51.96 49.73 3dtd s ALA 156 Cb -0.21 -4.60 0.01 0.00 0.00 0.00 0.00 23.12 18.32 3dtd s ALA 156 CO 0.26 -3.61 0.28 0.00 0.00 0.00 0.00 175.76 172.69 3dtd s ALA 157 N 5.20 -0.49 -0.00 0.00 0.00 -1.26 -4.91 121.76 120.29 3dtd s ALA 157 Ca 0.53 -0.41 -0.34 0.00 0.00 0.00 0.00 51.96 51.74 3dtd s ALA 157 Cb 0.02 0.59 -0.12 0.00 0.00 0.00 0.00 23.12 23.61 3dtd s ALA 157 CO 0.01 -0.57 1.78 -2.30 0.00 0.00 0.00 175.76 174.68 3dtd n PRO 158 N -0.14 2.19 0.00 0.00 -0.02 -1.26 -0.90 135.00 134.88 3dtd n PRO 158 Ca -0.15 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3dtd n PRO 158 Cb 0.63 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 4.08 3.28 3.45 -1.23 0.00 -1.26 -4.69 105.19 108.82 3dtd n GLY 159 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.40 -2.35 1.61 1.02 -0.07 -4.97 120.64 112.47 3dtd n GLU 160 Ca 0.00 0.97 -0.34 0.00 -0.02 0.00 0.00 57.16 57.78 3dtd n GLU 160 Cb 0.00 -4.30 -0.01 0.00 -0.02 0.00 0.00 31.44 27.11 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 -4.43 3.57 0.47 3.49 0.02 -1.25 -4.68 135.00 132.19 3dtd s PRO 161 Ca 0.15 1.37 -0.20 0.00 0.02 0.00 0.00 61.00 62.34 3dtd s PRO 161 Cb -0.05 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 3dtd s PRO 161 CO 0.82 -0.62 0.98 -1.25 -0.33 0.00 0.00 177.00 176.60 3dtd s PRO 162 N -3.48 4.05 -0.29 5.54 0.04 -1.26 -0.59 135.00 139.01 3dtd s PRO 162 Ca 0.67 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.86 3dtd s PRO 162 Cb -0.18 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.28 3dtd s PRO 162 CO 0.26 -0.19 -0.04 -1.17 0.04 0.00 0.00 177.00 175.90 3dtd s LEU 163 N -3.50 3.90 0.00 -3.56 2.96 0.51 -4.82 118.68 114.17 3dtd s LEU 163 Ca 0.62 -1.56 0.00 0.00 -0.22 0.00 0.00 54.13 52.98 3dtd s LEU 163 Cb -0.11 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.97 3dtd s LEU 163 CO 0.19 -0.26 0.36 0.59 -1.32 0.00 0.00 176.35 175.91 3dtd n ASN 164 N 4.44 0.72 -0.82 3.68 3.02 -1.26 -1.61 115.26 123.43 3dtd n ASN 164 Ca -0.10 -0.89 0.10 0.00 -0.03 0.00 0.00 54.58 53.66 3dtd n ASN 164 Cb 0.42 0.17 0.29 0.00 -0.61 0.00 0.00 39.78 40.05 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 2.44 -4.87 6.41 3.85 -1.26 -4.69 116.55 118.26 3dtd n ASP 165 Ca 0.00 -1.87 -0.34 0.00 -0.71 0.00 0.00 54.79 51.88 3dtd n ASP 165 Cb 0.02 -0.20 -0.05 0.00 -1.35 0.00 0.00 41.12 39.54 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 -1.42 4.29 0.22 -2.12 1.02 -1.26 -5.02 118.68 114.39 3dtd s LEU 166 Ca 0.34 0.86 -0.18 0.00 0.02 0.00 0.00 54.13 55.18 3dtd s LEU 166 Cb 0.19 -3.28 0.02 0.00 0.02 0.00 0.00 46.19 43.14 3dtd s LEU 166 CO 0.27 0.07 0.57 0.72 0.02 0.00 0.00 176.35 178.00 3dtd s PHE 167 N -1.56 -0.07 -0.11 0.29 -0.12 -1.26 -0.92 117.98 114.22 3dtd s PHE 167 Ca 0.39 -0.30 0.03 0.00 -0.05 0.00 0.00 56.93 57.01 3dtd s PHE 167 Cb -0.13 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 3dtd s PHE 167 CO 0.20 -1.01 -0.23 0.08 -0.05 0.00 0.00 175.22 174.21 3dtd s VAL 168 N -3.90 2.08 0.10 -2.49 1.01 -0.08 -4.92 120.40 112.20 3dtd s VAL 168 Ca 0.12 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 3dtd s VAL 168 Cb -0.02 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 3dtd s VAL 168 CO 0.01 0.56 1.08 -1.10 0.00 0.00 0.00 175.10 175.65 3dtd s GLN 169 N 0.51 4.56 0.00 2.72 -0.21 -1.26 -0.41 119.66 125.57 3dtd s GLN 169 Ca -0.15 1.63 0.21 0.00 0.02 0.00 0.00 55.36 57.07 3dtd s GLN 169 Cb -0.17 -3.35 0.47 0.00 1.00 0.00 0.00 33.01 30.96 3dtd s GLN 169 CO 0.05 -0.02 1.41 1.28 -2.12 0.00 0.00 175.29 175.89 3dtd n LEU 170 N 3.18 3.52 -4.63 2.90 4.77 0.15 -4.92 117.00 121.97 3dtd n LEU 170 Ca 0.05 -1.70 -0.43 0.00 -0.03 0.00 0.00 56.01 53.90 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 0.53 0.81 1.61 0.21 -1.33 0.00 0.00 177.39 179.23 3dtd s ASN 171 N -1.24 6.04 0.00 -1.43 3.84 -1.26 -1.79 114.94 119.10 3dtd s ASN 171 Ca 0.39 1.98 0.00 0.00 0.21 0.00 0.00 52.86 55.44 3dtd s ASN 171 Cb 0.22 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 3dtd s ASN 171 CO 0.30 -1.48 0.00 0.61 -2.79 0.00 0.00 177.10 173.74 3dtd n GLY 172 N 5.06 0.36 0.13 1.21 0.00 -1.26 -0.18 105.19 110.51 3dtd n GLY 172 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.44 1.61 3.57 -1.59 -0.75 116.94 119.21 3dtd h PHE 173 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3dtd h PHE 173 Cb 0.00 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3dtd h PHE 173 CO 0.00 -0.11 0.17 1.03 -2.23 0.00 0.00 178.31 177.17 3dtd h SER 174 N 0.01 0.61 -0.24 0.41 0.87 -1.83 0.08 113.55 113.47 3dtd h SER 174 Ca 0.13 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 3dtd h SER 174 Cb 0.20 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3dtd h SER 174 CO -0.28 0.62 -0.21 0.78 -0.53 0.00 0.00 176.83 177.21 3dtd h ASN 175 N 0.57 0.70 -0.35 6.23 2.35 -1.91 -1.04 115.58 122.14 3dtd h ASN 175 Ca 0.15 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 3dtd h ASN 175 Cb 0.20 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3dtd h ASN 175 CO -0.01 0.90 -0.23 0.00 -1.65 0.00 0.00 177.43 176.44 3dtd h ALA 176 N 1.15 0.81 -0.35 -0.83 0.00 -0.97 -2.40 119.26 116.66 3dtd h ALA 176 Ca 0.09 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 3dtd h ALA 176 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3dtd h ALA 176 CO 0.05 0.65 -0.32 1.25 0.00 0.00 0.00 179.25 180.88 3dtd h LEU 177 N 0.73 0.80 -1.01 0.00 5.85 -0.83 -1.73 115.31 119.13 3dtd h LEU 177 Ca 0.10 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3dtd h LEU 177 Cb 0.77 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 3dtd h LEU 177 CO 0.06 1.05 0.66 0.78 -0.34 0.00 0.00 178.44 180.65 3dtd h ASN 178 N 0.65 1.08 -0.55 1.25 2.35 -1.14 -1.21 115.58 118.01 3dtd h ASN 178 Ca 0.07 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 3dtd h ASN 178 Cb 0.85 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 3dtd h ASN 178 CO 0.07 0.73 -0.11 -0.09 -1.65 0.00 0.00 177.43 176.38 3dtd h ARG 179 N 1.25 1.05 -0.85 0.81 9.65 -1.19 -1.40 114.38 123.69 3dtd h ARG 179 Ca 0.41 -0.39 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3dtd h ARG 179 Cb 0.05 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 3dtd h ARG 179 CO -0.14 1.08 0.53 -0.07 2.80 0.00 0.00 179.97 184.18 3dtd h LEU 180 N 0.93 1.01 -0.50 3.80 4.07 -0.95 0.48 115.31 124.14 3dtd h LEU 180 Ca 0.14 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.99 3dtd h LEU 180 Cb 0.68 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 3dtd h LEU 180 CO 0.05 0.75 0.04 0.40 -1.08 0.00 0.00 178.44 178.61 3dtd h ILE 181 N 1.17 1.26 -0.19 1.22 2.04 -1.05 -2.61 117.51 119.34 3dtd h ILE 181 Ca 0.31 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 3dtd h ILE 181 Cb -0.08 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3dtd h ILE 181 CO -0.06 0.36 -0.27 0.00 0.00 0.00 0.00 178.15 178.18 3dtd h ALA 182 N 0.95 1.20 0.00 1.87 0.00 -0.85 -2.81 119.26 119.62 3dtd h ALA 182 Ca 0.15 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3dtd h ALA 182 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dtd h ALA 182 CO 0.02 0.52 -0.38 -0.07 0.00 0.00 0.00 179.25 179.34 3dtd h LEU 183 N 0.32 0.00 -0.51 0.00 3.38 -0.85 -2.90 115.31 114.75 3dtd h LEU 183 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3dtd h LEU 183 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3dtd h LEU 183 CO 0.05 0.38 -0.25 1.56 0.09 0.00 0.00 178.44 180.27 3dtd h GLN 184 N 0.00 0.95 0.00 1.13 4.20 -1.21 -3.14 115.11 117.04 3dtd h GLN 184 Ca -0.00 -0.42 -0.10 0.00 0.06 0.00 0.00 58.65 58.19 3dtd h GLN 184 Cb 1.00 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 3dtd h GLN 184 CO 0.05 1.08 -0.46 0.87 -0.67 0.00 0.00 178.83 179.70 3dtd h LYS 185 N 0.81 0.00 0.00 1.46 1.57 -1.48 -3.52 116.57 115.42 3dtd h LYS 185 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3dtd h LYS 185 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3dtd h LYS 185 CO 0.07 0.46 0.00 0.39 -0.57 0.00 0.00 179.45 179.80