#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 4.57 -0.22 2.46 2.96 -1.26 -4.83 118.68 122.36 3dtd s LEU 43 Ca 0.00 2.00 -0.26 0.00 -0.22 0.00 0.00 54.13 55.64 3dtd s LEU 43 Cb 0.00 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.08 3dtd s LEU 43 CO 0.00 -0.01 0.91 -0.89 -1.32 0.00 0.00 176.35 175.04 3dtd s THR 44 N -0.74 4.79 0.19 3.68 2.01 -1.26 -4.64 115.64 119.67 3dtd s THR 44 Ca 0.44 1.77 -0.09 0.00 0.31 0.00 0.00 61.69 64.12 3dtd s THR 44 Cb -0.27 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 67.97 3dtd s THR 44 CO 0.34 -0.08 0.50 -1.61 -0.69 0.00 0.00 174.62 173.07 3dtd s GLU 45 N 2.77 3.78 -0.10 4.92 2.02 -0.44 -4.93 118.70 126.72 3dtd s GLU 45 Ca 0.39 0.21 0.02 0.00 0.02 0.00 0.00 54.97 55.61 3dtd s GLU 45 Cb -0.16 -2.76 0.01 0.00 0.10 0.00 0.00 34.13 31.33 3dtd s GLU 45 CO 0.09 0.39 -0.15 0.99 0.02 0.00 0.00 175.26 176.59 3dtd s THR 46 N -1.70 1.49 -0.33 3.63 2.01 -1.26 -1.03 115.64 118.45 3dtd s THR 46 Ca 0.43 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.79 3dtd s THR 46 Cb -0.12 -1.35 0.11 0.00 0.01 0.00 0.00 72.50 71.14 3dtd s THR 46 CO 0.21 0.44 0.12 -0.31 -0.69 0.00 0.00 174.62 174.39 3dtd s TYR 47 N 0.90 1.91 0.00 4.92 2.02 0.46 -5.01 117.35 122.54 3dtd s TYR 47 Ca -0.09 -1.95 0.00 0.00 -0.37 0.00 0.00 57.07 54.66 3dtd s TYR 47 Cb -0.15 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 3dtd s TYR 47 CO -0.00 -0.87 0.00 0.41 -1.57 0.00 0.00 175.55 173.52 3dtd n GLY 48 N 4.58 2.73 0.23 0.71 0.00 -1.26 -1.04 105.19 111.14 3dtd n GLY 48 Ca 0.00 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 1.16 -4.89 0.99 4.77 0.34 -4.96 117.00 114.41 3dtd n LEU 49 Ca 0.00 -0.36 -0.34 0.00 -0.03 0.00 0.00 56.01 55.28 3dtd n LEU 49 Cb 0.00 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 3dtd n LEU 49 CO 0.00 0.23 -0.10 0.26 -1.33 0.00 0.00 177.39 176.45 3dtd s TRP 50 N -2.66 3.56 0.15 -1.77 0.52 -0.20 -4.83 118.94 113.71 3dtd s TRP 50 Ca 0.18 0.49 0.09 0.00 0.02 0.00 0.00 56.10 56.88 3dtd s TRP 50 Cb 0.18 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 3dtd s TRP 50 CO 0.61 0.63 -0.16 -1.12 0.02 0.00 0.00 176.95 176.93 3dtd s SER 51 N -1.79 3.94 -0.08 2.95 0.01 -0.13 -0.40 113.70 118.21 3dtd s SER 51 Ca 0.27 -0.61 0.02 0.00 1.31 0.00 0.00 55.95 56.94 3dtd s SER 51 Cb -0.13 -0.56 0.02 0.00 0.21 0.00 0.00 66.02 65.56 3dtd s SER 51 CO 0.17 0.14 -0.11 -0.63 0.41 0.00 0.00 173.24 173.22 3dtd s ILE 52 N -1.41 1.12 0.00 1.44 1.01 -0.19 -0.50 121.20 122.66 3dtd s ILE 52 Ca 0.21 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3dtd s ILE 52 Cb -0.10 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 3dtd s ILE 52 CO 0.12 0.36 -0.16 0.20 0.00 0.00 0.00 174.94 175.45 3dtd s ASN 53 N 0.95 1.93 -0.01 3.58 -0.87 -0.60 -1.33 114.94 118.60 3dtd s ASN 53 Ca -0.09 -0.34 0.06 0.00 -1.57 0.00 0.00 52.86 50.92 3dtd s ASN 53 Cb -0.15 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.25 40.86 3dtd s ASN 53 CO 0.00 0.17 -0.18 0.00 -2.57 0.00 0.00 177.10 174.53 3dtd s GLY 55 N -1.01 2.50 -0.38 0.00 0.00 0.40 -4.69 107.32 104.14 3dtd s GLY 55 Ca 0.13 -1.42 -0.01 0.00 0.00 0.00 0.00 44.72 43.41 3dtd s GLY 55 CO 0.02 -1.76 0.14 -0.42 0.00 0.00 0.00 173.10 171.08 3dtd s ILE 56 N -3.29 2.97 -0.27 0.90 1.09 -1.26 -1.86 121.20 119.48 3dtd s ILE 56 Ca 0.28 -2.05 -0.08 0.00 -1.10 0.00 0.00 60.65 57.70 3dtd s ILE 56 Cb 0.03 -3.03 -0.02 0.00 -1.06 0.00 0.00 42.46 38.38 3dtd s ILE 56 CO 0.16 -0.59 0.08 -1.10 -0.10 0.00 0.00 174.94 173.40 3dtd s GLN 57 N 1.09 3.48 -1.29 2.79 -0.21 -0.95 -4.62 119.66 119.95 3dtd s GLN 57 Ca 0.07 -0.60 -0.03 0.00 0.02 0.00 0.00 55.36 54.82 3dtd s GLN 57 Cb -0.21 -3.37 0.01 0.00 1.00 0.00 0.00 33.01 30.44 3dtd s GLN 57 CO -0.05 -0.28 0.98 -1.91 -2.12 0.00 0.00 175.29 171.91 3dtd n GLU 58 N 4.92 -6.49 -3.49 2.91 4.07 -1.26 -3.02 120.64 118.28 3dtd n GLU 58 Ca -0.15 0.78 -0.21 0.00 -0.06 0.00 0.00 57.16 57.51 3dtd n GLU 58 Cb 0.50 -5.70 0.07 0.00 -0.06 0.00 0.00 31.44 26.26 3dtd n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dtd n GLY 59 N -1.48 -0.40 3.24 8.31 0.00 -1.26 -5.01 105.19 108.59 3dtd n GLY 59 Ca -0.19 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3dtd n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dtd s LYS 60 N -6.14 0.41 -0.63 1.61 2.20 -1.17 -5.11 119.74 110.92 3dtd s LYS 60 Ca 0.50 0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 56.31 3dtd s LYS 60 Cb -0.22 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.33 3dtd s LYS 60 CO 0.66 -0.05 1.26 0.21 -0.36 0.00 0.00 175.35 177.07 3dtd s LYS 61 N 0.16 3.37 -0.20 4.03 2.20 -1.26 -2.24 119.74 125.80 3dtd s LYS 61 Ca -0.00 0.13 -0.04 0.00 -0.36 0.00 0.00 55.97 55.70 3dtd s LYS 61 Cb -0.02 -4.09 -0.02 0.00 -1.51 0.00 0.00 37.83 32.19 3dtd s LYS 61 CO 0.01 -1.88 -0.04 0.14 -0.36 0.00 0.00 175.35 173.22 3dtd s VAL 62 N 5.41 3.58 -0.10 4.02 -7.23 -0.78 -5.01 120.40 120.29 3dtd s VAL 62 Ca 0.42 -0.44 0.03 0.00 -1.81 0.00 0.00 61.98 60.18 3dtd s VAL 62 Cb -0.08 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 3dtd s VAL 62 CO 0.22 0.44 -0.19 0.00 -0.31 0.00 0.00 175.10 175.26 3dtd s PHE 64 N 0.17 2.18 -0.21 0.00 -0.12 0.69 -4.55 117.98 116.13 3dtd s PHE 64 Ca -0.11 -0.39 -0.02 0.00 -0.05 0.00 0.00 56.93 56.36 3dtd s PHE 64 Cb -0.16 -1.13 0.00 0.00 -0.63 0.00 0.00 43.02 41.10 3dtd s PHE 64 CO 0.06 0.39 -0.09 1.41 -0.05 0.00 0.00 175.22 176.93 3dtd s MET 65 N -2.38 3.26 0.05 1.99 1.75 0.11 -1.56 119.30 122.52 3dtd s MET 65 Ca 0.16 -0.69 -0.01 0.00 -1.25 0.00 0.00 55.69 53.90 3dtd s MET 65 Cb -0.09 -2.87 -0.04 0.00 2.84 0.00 0.00 34.83 34.68 3dtd s MET 65 CO 0.07 -0.20 -0.02 -3.38 -0.65 0.00 0.00 175.02 170.84 3dtd s HIS 66 N 1.41 0.49 -0.23 4.11 -3.43 0.34 -0.07 115.29 117.92 3dtd s HIS 66 Ca 0.05 -1.02 -0.13 0.00 -0.80 0.00 0.00 55.06 53.17 3dtd s HIS 66 Cb -0.14 -0.37 0.07 0.00 -1.43 0.00 0.00 32.58 30.72 3dtd s HIS 66 CO -0.06 -0.38 0.56 0.50 -2.00 0.00 0.00 174.74 173.36 3dtd s ARG 67 N -3.78 0.56 -0.02 -0.38 6.06 -0.47 -0.96 118.95 119.96 3dtd s ARG 67 Ca 0.06 1.02 0.03 0.00 -2.50 0.00 0.00 55.73 54.34 3dtd s ARG 67 Cb 0.07 0.07 -0.03 0.00 0.06 0.00 0.00 34.95 35.12 3dtd s ARG 67 CO -0.10 -0.16 -0.07 -0.65 -2.50 0.00 0.00 175.30 171.83 3dtd s GLN 68 N 1.55 2.61 -0.08 5.12 -0.21 -1.26 -0.93 119.66 126.46 3dtd s GLN 68 Ca -0.10 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 54.63 3dtd s GLN 68 Cb -0.07 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.39 3dtd s GLN 68 CO -0.17 0.62 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.31 3dtd s GLU 69 N -1.21 2.87 0.27 2.91 0.41 0.95 -5.00 118.70 119.90 3dtd s GLU 69 Ca 0.15 -0.63 0.11 0.00 -0.41 0.00 0.00 54.97 54.20 3dtd s GLU 69 Cb -0.11 -2.55 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 3dtd s GLU 69 CO 0.05 0.52 -0.13 0.14 -0.49 0.00 0.00 175.26 175.36 3dtd s VAL 70 N -0.44 2.85 0.08 2.63 -7.23 -1.26 -1.30 120.40 115.73 3dtd s VAL 70 Ca 0.06 -2.18 -0.00 0.00 -1.81 0.00 0.00 61.98 58.05 3dtd s VAL 70 Cb -0.12 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.34 3dtd s VAL 70 CO 0.02 -0.36 0.10 -0.46 -0.31 0.00 0.00 175.10 174.09 3dtd n ASN 71 N -0.64 0.10 0.29 4.85 0.23 -0.91 -4.90 115.26 114.27 3dtd n ASN 71 Ca -0.06 -1.09 0.18 0.00 -0.53 0.00 0.00 54.58 53.08 3dtd n ASN 71 Cb 0.59 -0.07 0.79 0.00 -2.08 0.00 0.00 39.78 39.01 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 -0.08 0.00 -0.21 0.53 3.04 -2.02 -1.43 116.42 116.24 3dtd h ASP 72 Ca -0.03 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 3dtd h ASP 72 Cb 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.41 3dtd h ASP 72 CO 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.23 3dtd n GLN 73 N -3.05 1.72 -2.19 4.15 1.13 -1.26 -4.95 117.38 112.93 3dtd n GLN 73 Ca -0.00 -1.10 -0.19 0.00 -1.94 0.00 0.00 57.00 53.77 3dtd n GLN 73 Cb 0.25 -1.35 -0.02 0.00 0.11 0.00 0.00 30.24 29.23 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 0.34 -5.34 -4.78 1.08 5.15 -0.54 -5.02 115.26 106.15 3dtd n ASN 74 Ca 0.15 0.08 -0.33 0.00 -0.60 0.00 0.00 54.58 53.88 3dtd n ASN 74 Cb 0.31 -4.42 -0.07 0.00 -0.53 0.00 0.00 39.78 35.07 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 -4.65 3.04 -0.02 1.20 1.70 -1.26 -4.84 118.95 114.12 3dtd s ARG 75 Ca 0.00 -0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 54.45 3dtd s ARG 75 Cb 0.00 -2.84 -0.05 0.00 -0.57 0.00 0.00 34.95 31.49 3dtd s ARG 75 CO 0.00 0.64 1.44 0.08 -1.08 0.00 0.00 175.30 176.38 3dtd s VAL 76 N -1.20 3.71 -0.19 4.99 1.01 -1.26 -2.14 120.40 125.32 3dtd s VAL 76 Ca 0.23 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.27 3dtd s VAL 76 Cb -0.12 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.46 3dtd s VAL 76 CO 0.14 -0.02 -0.16 0.52 0.00 0.00 0.00 175.10 175.57 3dtd n VAL 77 N 4.86 1.08 -3.85 2.92 0.31 -0.42 -4.98 118.33 118.26 3dtd n VAL 77 Ca 0.14 -0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 63.92 3dtd n VAL 77 Cb 0.43 -1.16 -0.15 0.00 -0.91 0.00 0.00 33.84 32.06 3dtd n VAL 77 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dtd s VAL 78 N -2.38 -0.01 0.08 2.52 1.01 -1.18 -3.72 120.40 116.72 3dtd s VAL 78 Ca -0.25 0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3dtd s VAL 78 Cb 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.37 3dtd s VAL 78 CO 0.44 0.03 -0.11 0.00 0.00 0.00 0.00 175.10 175.46 3dtd s ALA 79 N 0.33 1.05 -0.02 5.51 0.00 -0.77 -0.04 121.76 127.82 3dtd s ALA 79 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3dtd s ALA 79 Cb -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.09 3dtd s ALA 79 CO -0.01 0.04 0.01 1.41 0.00 0.00 0.00 175.76 177.21 3dtd s MET 80 N -2.21 0.18 -0.03 0.00 1.75 -0.11 -0.03 119.30 118.85 3dtd s MET 80 Ca 0.00 0.09 0.03 0.00 -1.25 0.00 0.00 55.69 54.56 3dtd s MET 80 Cb -0.07 -0.36 0.00 0.00 2.84 0.00 0.00 34.83 37.24 3dtd s MET 80 CO 0.01 -0.12 -0.10 0.45 -0.65 0.00 0.00 175.02 174.61 3dtd s SER 81 N 0.88 1.32 -0.03 1.11 0.15 -0.03 -1.36 113.70 115.74 3dtd s SER 81 Ca -0.08 -0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 3dtd s SER 81 Cb -0.12 -0.33 0.01 0.00 -1.71 0.00 0.00 66.02 63.87 3dtd s SER 81 CO -0.02 0.08 0.07 -0.69 1.20 0.00 0.00 173.24 173.88 3dtd s VAL 82 N 0.12 -0.01 0.18 4.45 1.01 0.90 -0.62 120.40 126.43 3dtd s VAL 82 Ca -0.02 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.10 3dtd s VAL 82 Cb -0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3dtd s VAL 82 CO 0.01 0.01 -0.21 0.68 0.00 0.00 0.00 175.10 175.59 3dtd s VAL 83 N 0.21 2.53 -0.29 2.92 -7.23 0.12 0.06 120.40 118.72 3dtd s VAL 83 Ca -0.01 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 3dtd s VAL 83 Cb -0.02 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 3dtd s VAL 83 CO -0.01 -0.08 0.40 -0.22 -0.31 0.00 0.00 175.10 174.88 3dtd s LEU 84 N -2.61 4.13 0.89 1.32 0.20 -1.26 -1.98 118.68 119.37 3dtd s LEU 84 Ca 0.21 0.21 -0.14 0.00 0.69 0.00 0.00 54.13 55.09 3dtd s LEU 84 Cb -0.08 -2.46 0.15 0.00 -0.43 0.00 0.00 46.19 43.37 3dtd s LEU 84 CO 0.10 -0.25 1.26 0.20 -0.29 0.00 0.00 176.35 177.37 3dtd s ASN 85 N 1.66 3.72 0.22 3.68 0.01 -0.65 -4.99 114.94 118.58 3dtd s ASN 85 Ca 0.16 0.47 -0.09 0.00 -0.71 0.00 0.00 52.86 52.69 3dtd s ASN 85 Cb -0.16 -0.71 0.17 0.00 0.41 0.00 0.00 41.25 40.97 3dtd s ASN 85 CO 0.10 -2.37 1.85 0.00 -1.51 0.00 0.00 177.10 175.17 3dtd h ALA 86 N -1.38 1.04 -0.10 0.60 0.00 -1.98 -3.00 119.26 114.45 3dtd h ALA 86 Ca -0.45 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3dtd h ALA 86 Cb 1.27 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3dtd h ALA 86 CO 0.50 0.53 0.00 -0.40 0.00 0.00 0.00 179.25 179.87 3dtd n ASP 87 N -4.43 1.15 0.00 0.00 5.75 -1.26 -4.85 116.55 112.91 3dtd n ASP 87 Ca 0.08 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3dtd n ASP 87 Cb 0.07 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 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 0.38 0.47 3.77 6.12 0.00 -1.13 -5.01 105.19 109.79 3dtd n GLY 88 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.15 4.91 -0.26 1.61 1.01 -1.26 -4.85 120.40 119.41 3dtd s VAL 89 Ca 0.00 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.03 3dtd s VAL 89 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3dtd s VAL 89 CO 0.00 0.44 0.33 -0.69 0.00 0.00 0.00 175.10 175.18 3dtd s VAL 90 N -0.30 5.21 0.15 2.92 1.01 -1.12 -1.64 120.40 126.62 3dtd s VAL 90 Ca 0.30 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.80 3dtd s VAL 90 Cb -0.18 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3dtd s VAL 90 CO 0.17 0.20 -0.02 -0.94 0.00 0.00 0.00 175.10 174.50 3dtd s SER 91 N 1.52 1.19 0.00 3.32 1.04 -0.84 0.20 113.70 120.14 3dtd s SER 91 Ca 0.14 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3dtd s SER 91 Cb -0.15 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.08 3dtd s SER 91 CO 0.09 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.39 3dtd n GLY 92 N -0.18 -0.65 2.97 7.32 0.00 -0.59 0.11 105.19 114.18 3dtd n GLY 92 Ca -0.08 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 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 0.82 -0.16 1.61 0.01 0.20 -1.39 114.94 112.03 3dtd s ASN 93 Ca 0.00 -0.12 -0.06 0.00 -0.71 0.00 0.00 52.86 51.97 3dtd s ASN 93 Cb 0.00 -0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.47 3dtd s ASN 93 CO 0.00 0.06 0.03 -0.22 -1.51 0.00 0.00 177.10 175.46 3dtd s LEU 94 N 0.04 3.65 -0.27 0.60 2.96 0.13 -0.85 118.68 124.94 3dtd s LEU 94 Ca -0.00 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.87 3dtd s LEU 94 Cb -0.05 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3dtd s LEU 94 CO -0.00 0.21 0.12 -0.89 -1.32 0.00 0.00 176.35 174.47 3dtd s THR 95 N 0.16 4.65 0.36 3.68 2.01 0.95 0.38 115.64 127.83 3dtd s THR 95 Ca 0.03 -0.13 0.08 0.00 0.31 0.00 0.00 61.69 61.98 3dtd s THR 95 Cb -0.13 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 3dtd s THR 95 CO 0.01 0.25 0.14 0.68 -0.69 0.00 0.00 174.62 175.02 3dtd s VAL 96 N 1.66 2.83 1.03 3.82 -7.23 0.57 -1.84 120.40 121.24 3dtd s VAL 96 Ca 0.06 -1.72 -0.12 0.00 -1.81 0.00 0.00 61.98 58.39 3dtd s VAL 96 Cb -0.16 -2.96 0.21 0.00 0.56 0.00 0.00 36.38 34.03 3dtd s VAL 96 CO 0.06 -0.15 1.07 -2.84 -0.31 0.00 0.00 175.10 172.94 3dtd s PRO 97 N -3.85 0.16 0.81 4.82 0.02 -1.24 -0.71 135.00 135.02 3dtd s PRO 97 Ca 0.38 0.94 -0.11 0.00 0.02 0.00 0.00 61.00 62.23 3dtd s PRO 97 Cb -0.01 -1.67 0.08 0.00 0.02 0.00 0.00 34.50 32.92 3dtd s PRO 97 CO 0.22 -3.02 1.09 -0.06 -0.33 0.00 0.00 177.00 174.90 3dtd s PHE 98 N -2.68 2.50 0.00 6.54 0.08 -1.26 -4.23 117.98 118.92 3dtd s PHE 98 Ca 0.66 1.45 0.00 0.00 0.12 0.00 0.00 56.93 59.17 3dtd s PHE 98 Cb -0.22 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.15 3dtd s PHE 98 CO 0.61 -1.99 0.00 0.41 -0.10 0.00 0.00 175.22 174.14 3dtd n GLY 99 N -1.19 0.57 3.77 4.36 0.00 -1.26 -5.03 105.19 106.40 3dtd n GLY 99 Ca 0.08 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.30 -0.61 -1.09 -1.26 -0.67 121.20 120.30 3dtd s ILE 100 Ca 0.00 1.03 -0.28 0.00 -2.23 0.00 0.00 60.65 59.17 3dtd s ILE 100 Cb 0.00 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 3dtd s ILE 100 CO 0.00 0.43 1.96 -0.22 -1.23 0.00 0.00 174.94 175.88 3dtd s LEU 101 N -0.16 3.47 0.34 2.97 2.96 0.11 -4.60 118.68 123.78 3dtd s LEU 101 Ca 0.27 1.49 0.15 0.00 -0.22 0.00 0.00 54.13 55.82 3dtd s LEU 101 Cb -0.17 -3.47 0.59 0.00 0.50 0.00 0.00 46.19 43.64 3dtd s LEU 101 CO 0.14 -1.84 1.71 0.58 -1.32 0.00 0.00 176.35 175.62 3dtd h VAL 102 N 6.95 1.14 0.00 1.68 2.07 -1.95 -3.02 116.25 123.12 3dtd h VAL 102 Ca -0.36 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.44 3dtd h VAL 102 Cb 1.20 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3dtd h VAL 102 CO 1.01 0.45 -0.19 0.77 0.02 0.00 0.00 177.57 179.63 3dtd h SER 103 N 0.00 0.00 -2.81 0.57 4.64 -1.96 -3.42 113.55 110.57 3dtd h SER 103 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3dtd h SER 103 Cb 0.92 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.96 3dtd h SER 103 CO 0.06 0.19 -0.48 -0.54 -0.87 0.00 0.00 176.83 175.19 3dtd s LYS 104 N -3.34 3.45 0.80 4.77 1.02 -1.14 -5.09 119.74 120.21 3dtd s LYS 104 Ca 0.03 -0.29 -0.11 0.00 0.02 0.00 0.00 55.97 55.62 3dtd s LYS 104 Cb 0.08 -3.10 0.07 0.00 -0.52 0.00 0.00 37.83 34.36 3dtd s LYS 104 CO 0.66 0.67 1.09 -2.14 -0.92 0.00 0.00 175.35 174.71 3dtd s PRO 105 N -1.90 2.08 -0.27 -1.68 0.02 -1.26 -4.82 135.00 127.18 3dtd s PRO 105 Ca 0.27 0.78 -0.08 0.00 0.02 0.00 0.00 61.00 61.99 3dtd s PRO 105 Cb -0.13 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 3dtd s PRO 105 CO 0.18 -1.66 0.10 0.08 -0.33 0.00 0.00 177.00 175.37 3dtd s VAL 106 N -3.07 4.48 -0.17 3.83 1.01 0.32 -4.50 120.40 122.31 3dtd s VAL 106 Ca 0.61 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.24 3dtd s VAL 106 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3dtd s VAL 106 CO 0.55 0.26 0.33 -0.60 0.00 0.00 0.00 175.10 175.64 3dtd s ARG 107 N 1.63 4.24 -0.16 2.72 3.52 0.80 -1.44 118.95 130.26 3dtd s ARG 107 Ca 0.06 0.14 -0.01 0.00 -0.13 0.00 0.00 55.73 55.79 3dtd s ARG 107 Cb -0.16 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.76 3dtd s ARG 107 CO 0.05 0.15 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.08 3dtd s LEU 108 N 0.72 2.78 -0.03 -0.88 1.02 0.93 -0.79 118.68 122.43 3dtd s LEU 108 Ca 0.18 -0.34 -0.01 0.00 0.02 0.00 0.00 54.13 53.98 3dtd s LEU 108 Cb -0.14 -1.65 0.03 0.00 0.02 0.00 0.00 46.19 44.45 3dtd s LEU 108 CO 0.06 0.12 0.05 -1.58 0.02 0.00 0.00 176.35 175.01 3dtd s GLN 109 N 0.66 -0.03 -0.40 1.70 0.74 -0.31 -0.74 119.66 121.28 3dtd s GLN 109 Ca -0.06 0.24 -0.29 0.00 0.05 0.00 0.00 55.36 55.30 3dtd s GLN 109 Cb -0.15 -0.27 0.02 0.00 1.10 0.00 0.00 33.01 33.71 3dtd s GLN 109 CO 0.02 -0.19 1.18 0.08 -0.55 0.00 0.00 175.29 175.83 3dtd s VAL 110 N 1.23 4.25 0.00 1.34 1.01 -1.13 0.25 120.40 127.35 3dtd s VAL 110 Ca -0.07 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.25 3dtd s VAL 110 Cb -0.13 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.82 3dtd s VAL 110 CO -0.03 -0.75 0.00 0.47 0.00 0.00 0.00 175.10 174.79 3dtd n ASP 111 N 7.65 0.00 -1.20 3.32 8.00 -0.52 -1.25 116.55 132.54 3dtd n ASP 111 Ca 0.13 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.71 3dtd n ASP 111 Cb 0.48 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.88 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 3.51 -1.13 -1.24 4.71 -1.26 -4.82 120.64 134.42 3dtd n GLU 112 Ca 0.00 -2.83 -0.22 0.00 -0.01 0.00 0.00 57.16 54.09 3dtd n GLU 112 Cb 0.00 -1.88 0.17 0.00 -1.01 0.00 0.00 31.44 28.71 3dtd n GLU 112 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dtd n GLY 113 N 0.12 -2.00 0.90 0.62 0.00 -0.38 -4.99 105.19 99.46 3dtd n GLY 113 Ca 0.22 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.52 2.20 -2.56 1.61 5.02 -1.26 -4.78 118.16 114.87 3dtd n LYS 114 Ca 0.12 -1.78 -0.41 0.00 -2.02 0.00 0.00 58.31 54.22 3dtd n LYS 114 Cb 0.44 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.76 2.74 -0.15 7.82 0.00 -1.26 -4.98 121.76 124.17 3dtd s ALA 115 Ca 0.34 -1.80 0.02 0.00 0.00 0.00 0.00 51.96 50.52 3dtd s ALA 115 Cb 0.21 -4.38 0.01 0.00 0.00 0.00 0.00 23.12 18.96 3dtd s ALA 115 CO 0.30 -3.43 -0.20 0.08 0.00 0.00 0.00 175.76 172.51 3dtd s VAL 116 N 5.34 1.93 -0.07 0.00 1.01 -1.26 -2.85 120.40 124.50 3dtd s VAL 116 Ca 0.40 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3dtd s VAL 116 Cb -0.04 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3dtd s VAL 116 CO 0.03 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 174.92 3dtd s ILE 117 N 1.04 3.37 -0.16 2.22 1.01 0.08 -4.99 121.20 123.77 3dtd s ILE 117 Ca -0.02 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3dtd s ILE 117 Cb -0.14 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 39.98 3dtd s ILE 117 CO -0.06 0.58 -0.20 -0.70 0.00 0.00 0.00 174.94 174.56 3dtd s GLU 118 N -0.56 2.91 0.08 2.79 2.12 -1.26 -0.05 118.70 124.73 3dtd s GLU 118 Ca 0.08 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.62 3dtd s GLU 118 Cb -0.12 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 3dtd s GLU 118 CO 0.02 -0.14 0.08 -2.37 -0.54 0.00 0.00 175.26 172.31 3dtd n THR 119 N 4.42 0.00 -4.12 -1.70 5.66 -0.52 -4.97 114.28 113.05 3dtd n THR 119 Ca -0.20 -0.57 -0.12 0.00 -3.05 0.00 0.00 64.05 60.11 3dtd n THR 119 Cb 0.51 0.29 -0.07 0.00 -1.55 0.00 0.00 70.33 69.50 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 -1.56 1.16 0.17 1.09 0.00 -1.26 0.12 107.32 107.03 3dtd s GLY 120 Ca 0.09 -1.39 -0.30 0.00 0.00 0.00 0.00 44.72 43.12 3dtd s GLY 120 CO 0.07 -1.07 1.29 -0.42 0.00 0.00 0.00 173.10 172.97 3dtd s ILE 121 N -3.94 3.38 -0.19 0.90 1.01 -1.26 -4.14 121.20 116.97 3dtd s ILE 121 Ca 0.32 1.10 -0.06 0.00 0.00 0.00 0.00 60.65 62.01 3dtd s ILE 121 Cb 0.03 -3.70 -0.21 0.00 0.01 0.00 0.00 42.46 38.59 3dtd s ILE 121 CO 0.13 0.15 0.07 -1.14 0.00 0.00 0.00 174.94 174.14 3dtd n ARG 122 N 2.95 0.68 -3.78 2.79 0.63 -0.13 -5.00 116.66 114.80 3dtd n ARG 122 Ca 0.07 0.26 -0.04 0.00 -0.92 0.00 0.00 57.85 57.22 3dtd n ARG 122 Cb 0.43 -1.63 -0.01 0.00 0.45 0.00 0.00 32.46 31.70 3dtd n ARG 122 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3dtd s THR 123 N -2.52 0.00 0.05 5.15 -1.32 -1.23 -5.03 115.64 110.74 3dtd s THR 123 Ca -0.29 -0.74 0.07 0.00 -1.21 0.00 0.00 61.69 59.51 3dtd s THR 123 Cb 0.08 -2.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.04 3dtd s THR 123 CO 0.66 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 172.89 3dtd s VAL 125 N -0.84 1.13 0.56 0.00 -7.23 0.59 -4.97 120.40 109.63 3dtd s VAL 125 Ca 0.06 -2.00 0.29 0.00 -1.81 0.00 0.00 61.98 58.52 3dtd s VAL 125 Cb -0.09 -2.61 0.43 0.00 0.56 0.00 0.00 36.38 34.67 3dtd s VAL 125 CO 0.02 0.00 1.92 -0.65 -0.31 0.00 0.00 175.10 176.07 3dtd h PRO 126 N 1.87 0.00 0.00 4.82 0.11 -2.04 -0.86 132.00 135.90 3dtd h PRO 126 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3dtd h PRO 126 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3dtd h PRO 126 CO 0.68 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 3dtd h ALA 127 N 1.56 1.00 0.00 -0.75 0.00 -1.99 -3.50 119.26 115.58 3dtd h ALA 127 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3dtd h ALA 127 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3dtd h ALA 127 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3dtd n GLY 128 N 0.63 0.87 3.73 0.00 0.00 -0.33 -4.94 105.19 105.15 3dtd n GLY 128 Ca 0.03 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 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 0.44 5.22 -0.29 0.00 -1.09 0.15 -0.31 121.20 125.32 3dtd s ILE 130 Ca 0.14 0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 59.13 3dtd s ILE 130 Cb -0.12 -3.68 0.05 0.00 -1.58 0.00 0.00 42.46 37.13 3dtd s ILE 130 CO 0.02 0.24 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.26 3dtd s VAL 131 N 1.47 2.84 0.30 2.92 1.01 0.16 -0.96 120.40 128.14 3dtd s VAL 131 Ca 0.16 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 3dtd s VAL 131 Cb -0.15 -2.62 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 3dtd s VAL 131 CO 0.08 -0.06 1.26 -2.84 0.00 0.00 0.00 175.10 173.54 3dtd s PRO 132 N 1.24 4.42 -0.01 2.72 0.02 -1.26 0.20 135.00 142.33 3dtd s PRO 132 Ca -0.05 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.10 3dtd s PRO 132 Cb -0.19 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.21 3dtd s PRO 132 CO -0.02 -0.10 -0.08 0.96 -0.33 0.00 0.00 177.00 177.42 3dtd s ILE 133 N -1.00 0.66 -0.07 2.83 -4.36 -0.49 -4.74 121.20 114.04 3dtd s ILE 133 Ca 0.49 -0.34 0.00 0.00 -0.26 0.00 0.00 60.65 60.54 3dtd s ILE 133 Cb -0.38 -0.56 0.02 0.00 1.25 0.00 0.00 42.46 42.79 3dtd s ILE 133 CO 0.48 0.19 -0.06 -0.69 0.24 0.00 0.00 174.94 175.11 3dtd s VAL 134 N -0.10 0.76 -0.18 8.37 1.01 -1.26 -1.54 120.40 127.46 3dtd s VAL 134 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3dtd s VAL 134 Cb -0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3dtd s VAL 134 CO -0.00 0.30 -0.04 -0.36 0.00 0.00 0.00 175.10 174.99 3dtd s PHE 135 N 1.30 2.98 0.85 5.22 2.99 0.13 -5.01 117.98 126.45 3dtd s PHE 135 Ca -0.04 -0.52 -0.13 0.00 0.00 0.00 0.00 56.93 56.24 3dtd s PHE 135 Cb -0.14 -2.00 0.12 0.00 0.00 0.00 0.00 43.02 41.00 3dtd s PHE 135 CO -0.03 -0.22 1.21 0.16 -0.00 0.00 0.00 175.22 176.35 3dtd s ASP 136 N 0.75 4.08 0.36 1.36 1.47 -1.26 -2.81 116.67 120.62 3dtd s ASP 136 Ca -0.02 0.58 0.10 0.00 1.18 0.00 0.00 52.55 54.39 3dtd s ASP 136 Cb -0.15 -0.94 0.84 0.00 -0.34 0.00 0.00 42.92 42.34 3dtd s ASP 136 CO 0.02 -2.15 1.87 0.11 0.68 0.00 0.00 175.17 175.70 3dtd h LYS 137 N -1.21 0.65 -0.16 2.11 1.79 -1.98 -0.51 116.57 117.25 3dtd h LYS 137 Ca -0.45 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 57.79 3dtd h LYS 137 Cb 1.30 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3dtd h LYS 137 CO 0.56 0.43 -0.67 -0.97 -1.08 0.00 0.00 179.45 177.72 3dtd h ASN 138 N 0.67 0.75 0.05 0.86 -1.24 -1.99 -2.54 115.58 112.13 3dtd h ASN 138 Ca 0.45 -0.45 -0.22 0.00 0.71 0.00 0.00 56.30 56.78 3dtd h ASN 138 Cb 0.75 -0.22 0.01 0.00 0.73 0.00 0.00 38.32 39.59 3dtd h ASN 138 CO -0.20 1.21 -0.83 0.22 -1.29 0.00 0.00 177.43 176.54 3dtd h TYR 139 N 0.46 0.87 -0.78 0.67 5.03 -1.68 -2.73 116.97 118.81 3dtd h TYR 139 Ca -0.02 -0.41 0.04 0.00 2.58 0.00 0.00 58.73 60.92 3dtd h TYR 139 Cb 1.26 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 39.37 3dtd h TYR 139 CO 0.06 1.22 0.49 0.28 -1.32 0.00 0.00 178.16 178.89 3dtd h VAL 140 N 0.41 1.09 -0.30 1.81 2.07 -1.16 -0.46 116.25 119.70 3dtd h VAL 140 Ca -0.06 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3dtd h VAL 140 Cb 1.45 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3dtd h VAL 140 CO 0.16 0.17 -0.04 0.00 0.02 0.00 0.00 177.57 177.88 3dtd h ALA 141 N 1.34 1.38 -0.18 1.67 0.00 -1.41 -1.51 119.26 120.56 3dtd h ALA 141 Ca 0.32 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3dtd h ALA 141 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dtd h ALA 141 CO -0.13 0.43 -0.65 0.00 0.00 0.00 0.00 179.25 178.90 3dtd h ALA 142 N 1.52 0.52 -0.69 0.00 0.00 -1.10 -2.89 119.26 116.61 3dtd h ALA 142 Ca 0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3dtd h ALA 142 Cb 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3dtd h ALA 142 CO 0.01 0.70 0.34 -0.07 0.00 0.00 0.00 179.25 180.24 3dtd h LEU 143 N 0.49 0.87 -0.98 0.00 4.07 -0.78 -0.12 115.31 118.86 3dtd h LEU 143 Ca -0.01 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.78 3dtd h LEU 143 Cb 1.24 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 3dtd h LEU 143 CO 0.13 0.73 -0.15 0.03 -1.08 0.00 0.00 178.44 178.10 3dtd h ARG 144 N 0.97 0.57 -0.00 1.13 3.08 -1.24 -3.17 114.38 115.71 3dtd h ARG 144 Ca 0.24 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3dtd h ARG 144 Cb 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3dtd h ARG 144 CO -0.03 0.70 -0.67 0.00 -1.07 0.00 0.00 179.97 178.89 3dtd n ALA 145 N -2.48 4.00 -2.01 0.04 0.00 -1.05 -4.70 120.51 114.31 3dtd n ALA 145 Ca 0.01 -0.51 -0.26 0.00 0.00 0.00 0.00 53.44 52.68 3dtd n ALA 145 Cb 0.35 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.84 1.66 -0.16 0.00 0.00 -0.08 -5.05 107.32 100.86 3dtd s GLY 146 Ca 0.13 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 3dtd s GLY 146 CO 0.73 -0.55 -0.17 0.28 0.00 0.00 0.00 173.10 173.39 3dtd n LYS 147 N -2.69 0.36 -4.75 2.90 5.02 -1.26 -4.71 118.16 113.03 3dtd n LYS 147 Ca 0.06 0.12 -0.25 0.00 -2.02 0.00 0.00 58.31 56.22 3dtd n LYS 147 Cb 0.59 -1.18 -0.15 0.00 -0.02 0.00 0.00 35.03 34.27 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 -2.30 1.71 -0.49 2.13 3.76 -1.26 -0.88 115.29 117.96 3dtd s HIS 148 Ca -0.21 -0.35 -0.14 0.00 -0.15 0.00 0.00 55.06 54.21 3dtd s HIS 148 Cb 0.07 -1.06 0.10 0.00 1.11 0.00 0.00 32.58 32.81 3dtd s HIS 148 CO 0.31 0.03 0.41 -1.17 -0.85 0.00 0.00 174.74 173.48 3dtd s LEU 149 N -0.83 5.80 0.20 0.89 2.96 0.41 -1.44 118.68 126.67 3dtd s LEU 149 Ca 0.07 -1.60 -0.30 0.00 -0.22 0.00 0.00 54.13 52.07 3dtd s LEU 149 Cb -0.08 -2.15 -0.08 0.00 0.50 0.00 0.00 46.19 44.38 3dtd s LEU 149 CO 0.01 -0.72 0.96 -0.54 -1.32 0.00 0.00 176.35 174.73 3dtd s LYS 150 N 1.56 4.80 -0.03 1.98 1.02 0.14 -0.99 119.74 128.22 3dtd s LYS 150 Ca 0.04 1.50 0.03 0.00 0.02 0.00 0.00 55.97 57.56 3dtd s LYS 150 Cb -0.27 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3dtd s LYS 150 CO 0.04 0.41 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.27 3dtd s LEU 151 N -0.84 3.00 -0.05 3.17 2.01 -0.17 -1.16 118.68 124.63 3dtd s LEU 151 Ca 0.43 -0.15 0.01 0.00 0.01 0.00 0.00 54.13 54.43 3dtd s LEU 151 Cb -0.26 -1.68 0.02 0.00 0.01 0.00 0.00 46.19 44.29 3dtd s LEU 151 CO 0.32 0.32 -0.05 0.00 1.01 0.00 0.00 176.35 177.95 3dtd s ALA 152 N -0.86 0.74 0.31 4.21 0.00 0.03 -4.32 121.76 121.86 3dtd s ALA 152 Ca 0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.93 3dtd s ALA 152 Cb -0.11 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3dtd s ALA 152 CO 0.04 -0.01 0.48 0.00 0.00 0.00 0.00 175.76 176.27 3dtd s MET 153 N 0.90 1.78 -0.13 0.00 0.23 -0.65 -0.14 119.30 121.28 3dtd s MET 153 Ca -0.11 -1.55 -0.01 0.00 -1.03 0.00 0.00 55.69 52.99 3dtd s MET 153 Cb -0.14 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 3dtd s MET 153 CO 0.00 -0.74 -0.11 0.99 -2.03 0.00 0.00 175.02 173.13 3dtd s THR 154 N -3.38 3.24 0.09 3.16 2.01 -1.26 -0.19 115.64 119.31 3dtd s THR 154 Ca 0.27 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 3dtd s THR 154 Cb -0.00 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 3dtd s THR 154 CO 0.15 0.52 1.00 -0.63 -0.69 0.00 0.00 174.62 174.97 3dtd s ILE 155 N 0.26 4.49 -1.17 1.82 1.01 0.11 0.08 121.20 127.80 3dtd s ILE 155 Ca -0.08 1.98 -0.21 0.00 0.00 0.00 0.00 60.65 62.35 3dtd s ILE 155 Cb -0.15 -4.26 0.05 0.00 0.01 0.00 0.00 42.46 38.10 3dtd s ILE 155 CO 0.05 0.26 1.65 0.00 0.00 0.00 0.00 174.94 176.90 3dtd s ALA 156 N 0.30 2.91 0.12 9.38 0.00 0.15 -3.92 121.76 130.70 3dtd s ALA 156 Ca 0.49 -2.55 -0.12 0.00 0.00 0.00 0.00 51.96 49.77 3dtd s ALA 156 Cb -0.24 -4.60 0.02 0.00 0.00 0.00 0.00 23.12 18.30 3dtd s ALA 156 CO 0.30 -3.62 0.31 0.00 0.00 0.00 0.00 175.76 172.75 3dtd s ALA 157 N 5.23 -0.56 -0.05 0.00 0.00 -1.26 -4.91 121.76 120.20 3dtd s ALA 157 Ca 0.53 -0.36 -0.34 0.00 0.00 0.00 0.00 51.96 51.78 3dtd s ALA 157 Cb 0.02 0.63 -0.12 0.00 0.00 0.00 0.00 23.12 23.65 3dtd s ALA 157 CO 0.01 -0.60 1.83 -2.30 0.00 0.00 0.00 175.76 174.70 3dtd n PRO 158 N -0.16 2.14 0.00 0.00 -0.02 -1.26 -0.86 135.00 134.83 3dtd n PRO 158 Ca -0.15 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3dtd n PRO 158 Cb 0.63 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3dtd n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dtd n GLY 159 N 4.23 3.13 3.48 -1.23 0.00 -1.26 -4.69 105.19 108.86 3dtd n GLY 159 Ca 0.22 0.00 -0.18 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 -1.95 -1.39 -2.36 1.61 1.02 -0.04 -4.97 120.64 112.56 3dtd n GLU 160 Ca 0.00 0.91 -0.34 0.00 -0.02 0.00 0.00 57.16 57.71 3dtd n GLU 160 Cb 0.00 -4.23 -0.01 0.00 -0.02 0.00 0.00 31.44 27.17 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 -4.60 3.56 0.50 3.49 0.02 -1.25 -4.69 135.00 132.02 3dtd s PRO 161 Ca 0.18 1.41 -0.18 0.00 0.02 0.00 0.00 61.00 62.43 3dtd s PRO 161 Cb -0.06 -2.05 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 3dtd s PRO 161 CO 0.83 -0.64 0.99 -1.25 -0.33 0.00 0.00 177.00 176.60 3dtd s PRO 162 N -3.40 3.93 -0.28 5.54 0.04 -1.26 -0.71 135.00 138.86 3dtd s PRO 162 Ca 0.68 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.85 3dtd s PRO 162 Cb -0.19 -2.13 0.07 0.00 0.04 0.00 0.00 34.50 32.29 3dtd s PRO 162 CO 0.25 -0.29 -0.06 -1.17 0.04 0.00 0.00 177.00 175.76 3dtd s LEU 163 N -3.77 3.72 0.00 -3.56 2.96 0.73 -4.82 118.68 113.94 3dtd s LEU 163 Ca 0.62 -1.58 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 3dtd s LEU 163 Cb -0.11 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3dtd s LEU 163 CO 0.25 -0.24 0.25 0.59 -1.32 0.00 0.00 176.35 175.87 3dtd n ASN 164 N 4.40 0.49 -0.53 3.68 3.02 -1.26 -1.64 115.26 123.43 3dtd n ASN 164 Ca -0.09 -0.75 0.11 0.00 -0.03 0.00 0.00 54.58 53.82 3dtd n ASN 164 Cb 0.42 0.39 0.42 0.00 -0.61 0.00 0.00 39.78 40.40 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 -0.39 1.60 -4.85 6.41 3.85 -1.26 -4.68 116.55 117.22 3dtd n ASP 165 Ca 0.00 -1.65 -0.35 0.00 -0.71 0.00 0.00 54.79 52.08 3dtd n ASP 165 Cb 0.02 -0.08 -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 -1.67 4.35 0.18 -2.12 1.02 -1.26 -5.02 118.68 114.15 3dtd s LEU 166 Ca 0.34 0.99 -0.16 0.00 0.02 0.00 0.00 54.13 55.32 3dtd s LEU 166 Cb 0.18 -3.17 0.02 0.00 0.02 0.00 0.00 46.19 43.25 3dtd s LEU 166 CO 0.28 0.13 0.48 0.72 0.02 0.00 0.00 176.35 177.98 3dtd s PHE 167 N -1.43 -0.06 -0.12 0.29 -0.12 -1.26 -1.00 117.98 114.27 3dtd s PHE 167 Ca 0.36 -0.28 0.01 0.00 -0.05 0.00 0.00 56.93 56.97 3dtd s PHE 167 Cb -0.15 0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 3dtd s PHE 167 CO 0.19 -0.86 -0.15 0.08 -0.05 0.00 0.00 175.22 174.42 3dtd s VAL 168 N -3.88 2.84 0.14 -2.49 1.01 -0.16 -4.91 120.40 112.96 3dtd s VAL 168 Ca 0.09 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3dtd s VAL 168 Cb -0.00 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 3dtd s VAL 168 CO -0.04 0.54 0.95 -1.10 0.00 0.00 0.00 175.10 175.45 3dtd s GLN 169 N 0.26 4.73 0.00 2.72 -0.21 -1.26 -0.44 119.66 125.45 3dtd s GLN 169 Ca -0.11 1.44 0.19 0.00 0.02 0.00 0.00 55.36 56.91 3dtd s GLN 169 Cb -0.16 -3.35 0.33 0.00 1.00 0.00 0.00 33.01 30.83 3dtd s GLN 169 CO 0.06 0.29 1.27 1.28 -2.12 0.00 0.00 175.29 176.08 3dtd n LEU 170 N 2.47 3.10 -4.62 2.90 4.77 -0.06 -4.93 117.00 120.64 3dtd n LEU 170 Ca 0.01 -1.46 -0.43 0.00 -0.03 0.00 0.00 56.01 54.10 3dtd n LEU 170 Cb 0.49 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3dtd n LEU 170 CO 0.51 0.67 1.71 0.21 -1.33 0.00 0.00 177.39 179.16 3dtd s ASN 171 N -1.34 5.81 0.00 -1.43 3.84 -1.26 -1.39 114.94 119.17 3dtd s ASN 171 Ca 0.31 1.97 0.00 0.00 0.21 0.00 0.00 52.86 55.35 3dtd s ASN 171 Cb 0.19 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 3dtd s ASN 171 CO 0.26 -1.67 0.00 0.61 -2.79 0.00 0.00 177.10 173.51 3dtd n GLY 172 N 5.35 0.47 0.09 1.21 0.00 -1.26 -0.50 105.19 110.55 3dtd n GLY 172 Ca 0.26 0.00 -0.10 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 0.02 -0.05 1.61 3.57 -1.47 -1.25 116.94 119.37 3dtd h PHE 173 Ca 0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3dtd h PHE 173 Cb 0.00 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3dtd h PHE 173 CO 0.00 -0.00 -0.06 1.03 -2.23 0.00 0.00 178.31 177.05 3dtd h SER 174 N 0.07 -0.19 -0.33 0.41 0.87 -1.84 0.02 113.55 112.55 3dtd h SER 174 Ca 0.07 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 3dtd h SER 174 Cb 0.07 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3dtd h SER 174 CO -0.10 -0.09 -0.14 0.78 -0.53 0.00 0.00 176.83 176.75 3dtd h ASN 175 N -0.09 0.78 -0.31 6.23 2.35 -1.92 -0.73 115.58 121.89 3dtd h ASN 175 Ca 0.04 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.45 3dtd h ASN 175 Cb 0.15 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3dtd h ASN 175 CO -0.10 0.93 -0.13 0.00 -1.65 0.00 0.00 177.43 176.48 3dtd h ALA 176 N 1.14 1.01 -0.38 -0.83 0.00 -1.08 -2.30 119.26 116.81 3dtd h ALA 176 Ca 0.11 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3dtd h ALA 176 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3dtd h ALA 176 CO 0.04 0.59 -0.40 1.25 0.00 0.00 0.00 179.25 180.74 3dtd h LEU 177 N 0.67 0.99 -1.10 0.00 5.85 -0.68 -1.94 115.31 119.10 3dtd h LEU 177 Ca 0.11 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.43 3dtd h LEU 177 Cb 0.60 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3dtd h LEU 177 CO 0.04 1.26 0.61 0.78 -0.34 0.00 0.00 178.44 180.78 3dtd h ASN 178 N 0.75 0.96 -0.14 1.25 2.35 -1.07 -0.77 115.58 118.91 3dtd h ASN 178 Ca 0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 3dtd h ASN 178 Cb 0.99 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3dtd h ASN 178 CO 0.10 0.63 -0.25 -0.09 -1.65 0.00 0.00 177.43 176.16 3dtd h ARG 179 N 1.10 0.59 -0.38 0.81 9.65 -1.25 -1.53 114.38 123.37 3dtd h ARG 179 Ca 0.40 -0.23 -0.12 0.00 -1.10 0.00 0.00 59.98 58.92 3dtd h ARG 179 Cb 0.15 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3dtd h ARG 179 CO -0.15 0.79 -0.25 1.25 2.80 0.00 0.00 179.97 184.41 3dtd h LEU 180 N 0.52 0.80 -0.37 3.80 5.85 -0.61 -0.23 115.31 125.06 3dtd h LEU 180 Ca 0.07 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3dtd h LEU 180 Cb 0.71 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3dtd h LEU 180 CO 0.05 1.02 0.14 0.40 -0.34 0.00 0.00 178.44 179.71 3dtd h ILE 181 N 0.67 1.20 -0.18 4.05 2.04 -1.06 -2.64 117.51 121.60 3dtd h ILE 181 Ca 0.09 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 3dtd h ILE 181 Cb 0.78 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3dtd h ILE 181 CO 0.06 0.22 -0.15 0.00 0.00 0.00 0.00 178.15 178.28 3dtd h ALA 182 N 0.99 1.41 0.00 1.87 0.00 -1.03 -2.67 119.26 119.83 3dtd h ALA 182 Ca 0.12 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3dtd h ALA 182 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dtd h ALA 182 CO -0.01 0.41 -0.31 -0.07 0.00 0.00 0.00 179.25 179.27 3dtd h LEU 183 N 0.27 0.00 -0.47 0.00 3.38 -0.96 -2.95 115.31 114.58 3dtd h LEU 183 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3dtd h LEU 183 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3dtd h LEU 183 CO 0.03 0.31 -0.29 1.56 0.09 0.00 0.00 178.44 180.14 3dtd h GLN 184 N 0.00 0.96 0.00 1.13 4.20 -1.12 -3.15 115.11 117.13 3dtd h GLN 184 Ca -0.00 -0.45 -0.10 0.00 0.06 0.00 0.00 58.65 58.16 3dtd h GLN 184 Cb 1.04 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 3dtd h GLN 184 CO 0.04 1.11 -0.49 0.87 -0.67 0.00 0.00 178.83 179.69 3dtd h LYS 185 N 0.81 0.00 0.00 1.46 1.57 -1.50 -3.52 116.57 115.39 3dtd h LYS 185 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3dtd h LYS 185 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3dtd h LYS 185 CO 0.08 0.49 0.00 0.39 -0.57 0.00 0.00 179.45 179.84