#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dtd s LEU 43 N 0.00 4.50 -0.12 2.46 2.96 -1.26 -4.83 118.68 122.39 3dtd s LEU 43 Ca 0.00 2.01 -0.28 0.00 -0.22 0.00 0.00 54.13 55.64 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 -0.15 0.96 -0.89 -1.32 0.00 0.00 176.35 174.95 3dtd s THR 44 N -0.27 4.81 0.08 3.68 2.01 -1.26 -4.64 115.64 120.05 3dtd s THR 44 Ca 0.48 1.93 -0.05 0.00 0.31 0.00 0.00 61.69 64.37 3dtd s THR 44 Cb -0.28 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 67.92 3dtd s THR 44 CO 0.34 0.01 0.31 -1.61 -0.69 0.00 0.00 174.62 172.97 3dtd s GLU 45 N 2.05 3.57 -0.12 4.92 2.02 -0.32 -4.93 118.70 125.90 3dtd s GLU 45 Ca 0.46 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 55.32 3dtd s GLU 45 Cb -0.18 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.09 3dtd s GLU 45 CO 0.16 0.56 -0.18 0.99 0.02 0.00 0.00 175.26 176.82 3dtd s THR 46 N -1.49 1.69 -0.33 3.63 2.01 -1.26 -1.01 115.64 118.88 3dtd s THR 46 Ca 0.35 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.60 3dtd s THR 46 Cb -0.13 -1.52 0.10 0.00 0.01 0.00 0.00 72.50 70.97 3dtd s THR 46 CO 0.22 0.48 0.10 -0.31 -0.69 0.00 0.00 174.62 174.42 3dtd s TYR 47 N 0.92 2.14 0.00 4.92 2.02 0.33 -5.01 117.35 122.66 3dtd s TYR 47 Ca -0.07 -2.04 0.00 0.00 -0.37 0.00 0.00 57.07 54.59 3dtd s TYR 47 Cb -0.15 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 3dtd s TYR 47 CO -0.01 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.49 3dtd n GLY 48 N 4.64 2.04 0.39 0.71 0.00 -1.26 -1.07 105.19 110.63 3dtd n GLY 48 Ca -0.00 0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.41 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 1.73 -4.88 0.99 4.77 -0.16 -4.97 117.00 114.48 3dtd n LEU 49 Ca 0.00 -0.64 -0.35 0.00 -0.03 0.00 0.00 56.01 54.99 3dtd n LEU 49 Cb 0.00 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3dtd n LEU 49 CO 0.00 0.33 -0.06 0.26 -1.33 0.00 0.00 177.39 176.59 3dtd s TRP 50 N -2.56 3.58 0.12 -1.77 0.52 -0.24 -4.82 118.94 113.77 3dtd s TRP 50 Ca 0.18 0.57 0.08 0.00 0.02 0.00 0.00 56.10 56.95 3dtd s TRP 50 Cb 0.18 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 3dtd s TRP 50 CO 0.61 0.62 -0.13 -1.12 0.02 0.00 0.00 176.95 176.94 3dtd s SER 51 N -1.67 4.15 -0.09 2.95 0.01 -0.08 -0.52 113.70 118.45 3dtd s SER 51 Ca 0.27 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.05 3dtd s SER 51 Cb -0.13 -0.69 0.01 0.00 0.21 0.00 0.00 66.02 65.42 3dtd s SER 51 CO 0.16 0.16 -0.13 -0.63 0.41 0.00 0.00 173.24 173.21 3dtd s ILE 52 N -1.28 1.26 -0.01 1.44 1.01 -0.18 -0.49 121.20 122.95 3dtd s ILE 52 Ca 0.21 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.39 3dtd s ILE 52 Cb -0.10 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 3dtd s ILE 52 CO 0.12 0.39 -0.15 0.20 0.00 0.00 0.00 174.94 175.50 3dtd s ASN 53 N 0.90 1.80 -0.11 3.58 -0.87 -0.83 -1.18 114.94 118.22 3dtd s ASN 53 Ca -0.10 -0.28 -0.01 0.00 -1.57 0.00 0.00 52.86 50.91 3dtd s ASN 53 Cb -0.15 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.25 40.86 3dtd s ASN 53 CO 0.01 0.19 -0.09 0.00 -2.57 0.00 0.00 177.10 174.64 3dtd s GLY 55 N -0.04 0.19 -0.49 0.00 0.00 -0.14 -4.69 107.32 102.15 3dtd s GLY 55 Ca -0.01 -0.77 -0.13 0.00 0.00 0.00 0.00 44.72 43.80 3dtd s GLY 55 CO 0.03 -0.94 0.41 -0.42 0.00 0.00 0.00 173.10 172.18 3dtd s ILE 56 N -3.86 4.86 -0.83 0.90 1.01 -1.26 -1.25 121.20 120.76 3dtd s ILE 56 Ca 0.05 -1.45 -0.08 0.00 0.00 0.00 0.00 60.65 59.18 3dtd s ILE 56 Cb 0.06 -4.06 0.21 0.00 0.01 0.00 0.00 42.46 38.68 3dtd s ILE 56 CO -0.11 -0.73 0.74 -1.10 0.00 0.00 0.00 174.94 173.74 3dtd s GLN 57 N 1.53 3.37 -0.72 2.79 -0.21 -0.43 -4.78 119.66 121.21 3dtd s GLN 57 Ca 0.04 -2.77 -0.04 0.00 0.02 0.00 0.00 55.36 52.62 3dtd s GLN 57 Cb -0.27 -4.17 0.01 0.00 1.00 0.00 0.00 33.01 29.57 3dtd s GLN 57 CO 0.03 -1.25 0.66 0.39 -2.12 0.00 0.00 175.29 173.00 3dtd n GLU 58 N 3.31 -1.52 -1.50 2.91 1.02 -1.26 -3.76 120.64 119.84 3dtd n GLU 58 Ca 0.15 1.32 -0.05 0.00 -0.02 0.00 0.00 57.16 58.56 3dtd n GLU 58 Cb 0.41 -4.47 -0.02 0.00 -0.02 0.00 0.00 31.44 27.34 3dtd n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dtd n GLY 59 N -1.51 0.55 2.80 0.62 0.00 -1.26 -5.02 105.19 101.37 3dtd n GLY 59 Ca -0.09 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.12 0.01 -0.48 1.61 1.02 -1.25 -5.11 119.74 112.42 3dtd s LYS 60 Ca 0.00 0.47 -0.19 0.00 0.02 0.00 0.00 55.97 56.27 3dtd s LYS 60 Cb 0.00 -0.32 0.05 0.00 -0.52 0.00 0.00 37.83 37.04 3dtd s LYS 60 CO 0.00 -0.29 0.58 0.21 -0.92 0.00 0.00 175.35 174.94 3dtd s LYS 61 N 2.03 3.14 -0.06 1.68 2.20 -1.26 -1.32 119.74 126.16 3dtd s LYS 61 Ca 0.01 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 3dtd s LYS 61 Cb -0.12 -4.05 0.01 0.00 -1.51 0.00 0.00 37.83 32.16 3dtd s LYS 61 CO -0.05 -1.11 -0.13 0.54 -0.36 0.00 0.00 175.35 174.24 3dtd s VAL 62 N 2.52 1.18 -0.21 4.02 0.11 -0.38 -4.96 120.40 122.68 3dtd s VAL 62 Ca 0.15 -0.53 -0.09 0.00 -2.93 0.00 0.00 61.98 58.58 3dtd s VAL 62 Cb -0.18 -1.06 -0.05 0.00 -1.53 0.00 0.00 36.38 33.56 3dtd s VAL 62 CO 0.13 0.36 0.12 0.00 -3.33 0.00 0.00 175.10 172.38 3dtd s PHE 64 N 0.60 1.99 -0.18 0.00 -0.12 0.21 -4.55 117.98 115.93 3dtd s PHE 64 Ca 0.07 -0.43 -0.02 0.00 -0.05 0.00 0.00 56.93 56.50 3dtd s PHE 64 Cb -0.12 -0.99 -0.00 0.00 -0.63 0.00 0.00 43.02 41.27 3dtd s PHE 64 CO 0.01 0.39 -0.10 1.41 -0.05 0.00 0.00 175.22 176.87 3dtd s MET 65 N -2.73 3.30 0.04 1.99 1.75 0.11 -1.97 119.30 121.78 3dtd s MET 65 Ca 0.17 -0.69 -0.05 0.00 -1.25 0.00 0.00 55.69 53.88 3dtd s MET 65 Cb -0.07 -2.79 -0.01 0.00 2.84 0.00 0.00 34.83 34.80 3dtd s MET 65 CO 0.08 -0.07 0.08 -3.38 -0.65 0.00 0.00 175.02 171.08 3dtd s HIS 66 N 1.08 0.25 -0.19 4.11 -3.43 0.36 0.01 115.29 117.48 3dtd s HIS 66 Ca 0.00 -0.60 -0.12 0.00 -0.80 0.00 0.00 55.06 53.54 3dtd s HIS 66 Cb -0.15 -0.17 0.06 0.00 -1.43 0.00 0.00 32.58 30.89 3dtd s HIS 66 CO -0.02 -0.38 0.47 0.50 -2.00 0.00 0.00 174.74 173.30 3dtd s ARG 67 N -2.91 0.48 -0.02 -0.38 6.06 -0.36 -0.90 118.95 120.91 3dtd s ARG 67 Ca -0.02 0.81 0.03 0.00 -2.50 0.00 0.00 55.73 54.05 3dtd s ARG 67 Cb 0.01 0.08 -0.03 0.00 0.06 0.00 0.00 34.95 35.07 3dtd s ARG 67 CO -0.06 -0.13 -0.11 -0.65 -2.50 0.00 0.00 175.30 171.85 3dtd s GLN 68 N 1.11 2.50 -0.11 5.12 -0.21 -1.26 -0.80 119.66 126.01 3dtd s GLN 68 Ca -0.07 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 54.59 3dtd s GLN 68 Cb -0.06 -2.43 -0.02 0.00 1.00 0.00 0.00 33.01 31.49 3dtd s GLN 68 CO -0.10 0.61 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.36 3dtd s GLU 69 N -1.08 3.12 0.28 2.91 0.41 0.68 -5.01 118.70 120.02 3dtd s GLU 69 Ca 0.14 -0.65 0.10 0.00 -0.41 0.00 0.00 54.97 54.15 3dtd s GLU 69 Cb -0.11 -2.60 -0.05 0.00 -1.78 0.00 0.00 34.13 29.60 3dtd s GLU 69 CO 0.04 0.38 -0.06 0.14 -0.49 0.00 0.00 175.26 175.27 3dtd s VAL 70 N -0.06 3.12 0.00 2.63 -7.23 -1.26 -1.17 120.40 116.43 3dtd s VAL 70 Ca -0.02 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 3dtd s VAL 70 Cb -0.14 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.11 3dtd s VAL 70 CO 0.04 -0.37 0.00 -0.46 -0.31 0.00 0.00 175.10 174.00 3dtd n ASN 71 N -0.83 0.00 0.24 4.85 0.23 -0.90 -4.90 115.26 113.96 3dtd n ASN 71 Ca -0.06 -0.99 0.16 0.00 -0.53 0.00 0.00 54.58 53.16 3dtd n ASN 71 Cb 0.59 0.00 0.71 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 0.00 0.00 -0.38 0.53 3.04 -2.02 -1.77 116.42 115.83 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 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 3dtd n GLN 73 N -2.82 2.02 -2.25 4.15 1.13 -1.26 -4.95 117.38 113.40 3dtd n GLN 73 Ca 0.00 -1.57 -0.20 0.00 -1.94 0.00 0.00 57.00 53.30 3dtd n GLN 73 Cb 0.23 -1.38 -0.02 0.00 0.11 0.00 0.00 30.24 29.18 3dtd n GLN 73 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3dtd n ASN 74 N 0.77 -5.66 -4.74 1.08 5.15 -0.66 -5.01 115.26 106.19 3dtd n ASN 74 Ca 0.16 0.06 -0.33 0.00 -0.60 0.00 0.00 54.58 53.87 3dtd n ASN 74 Cb 0.39 -4.72 -0.08 0.00 -0.53 0.00 0.00 39.78 34.84 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 -4.79 2.95 -0.01 1.20 1.70 -1.26 -4.84 118.95 113.90 3dtd s ARG 75 Ca 0.00 -0.52 -0.30 0.00 -0.47 0.00 0.00 55.73 54.44 3dtd s ARG 75 Cb 0.00 -2.78 -0.06 0.00 -0.57 0.00 0.00 34.95 31.54 3dtd s ARG 75 CO 0.00 0.64 1.50 0.08 -1.08 0.00 0.00 175.30 176.45 3dtd s VAL 76 N -1.13 3.58 -0.22 4.99 1.01 -1.26 -2.11 120.40 125.26 3dtd s VAL 76 Ca 0.21 0.90 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 3dtd s VAL 76 Cb -0.12 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 3dtd s VAL 76 CO 0.11 -0.03 -0.23 0.52 0.00 0.00 0.00 175.10 175.48 3dtd n VAL 77 N 4.92 1.24 -3.98 2.92 0.31 -0.31 -4.97 118.33 118.45 3dtd n VAL 77 Ca 0.15 -0.41 -0.13 0.00 -0.01 0.00 0.00 64.34 63.93 3dtd n VAL 77 Cb 0.43 -1.46 -0.14 0.00 -0.91 0.00 0.00 33.84 31.76 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 -2.42 0.17 0.08 2.52 0.11 -1.18 -3.78 120.40 115.89 3dtd s VAL 78 Ca -0.30 -0.20 0.04 0.00 -2.93 0.00 0.00 61.98 58.59 3dtd s VAL 78 Cb 0.09 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.74 3dtd s VAL 78 CO 0.46 -0.03 -0.11 0.00 -3.33 0.00 0.00 175.10 172.09 3dtd s ALA 79 N -0.24 1.04 -0.03 1.54 0.00 -0.61 -0.23 121.76 123.24 3dtd s ALA 79 Ca -0.01 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3dtd s ALA 79 Cb -0.02 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.11 3dtd s ALA 79 CO -0.00 0.03 -0.01 1.41 0.00 0.00 0.00 175.76 177.20 3dtd s MET 80 N -2.23 0.35 -0.04 0.00 1.75 0.02 -0.09 119.30 119.06 3dtd s MET 80 Ca 0.00 0.05 0.03 0.00 -1.25 0.00 0.00 55.69 54.52 3dtd s MET 80 Cb -0.06 -0.51 0.00 0.00 2.84 0.00 0.00 34.83 37.10 3dtd s MET 80 CO 0.01 -0.12 -0.11 0.45 -0.65 0.00 0.00 175.02 174.60 3dtd s SER 81 N 0.96 1.51 -0.02 1.11 0.15 0.25 -1.22 113.70 116.44 3dtd s SER 81 Ca -0.10 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 3dtd s SER 81 Cb -0.13 -0.48 0.01 0.00 -1.71 0.00 0.00 66.02 63.70 3dtd s SER 81 CO -0.01 0.07 0.05 -0.69 1.20 0.00 0.00 173.24 173.86 3dtd s VAL 82 N 0.29 -0.00 0.17 4.45 1.01 0.10 -0.01 120.40 126.41 3dtd s VAL 82 Ca -0.06 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.03 3dtd s VAL 82 Cb -0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 3dtd s VAL 82 CO 0.01 0.00 -0.23 0.68 0.00 0.00 0.00 175.10 175.57 3dtd s VAL 83 N 0.06 2.17 -0.30 2.92 -7.23 0.23 0.06 120.40 118.32 3dtd s VAL 83 Ca -0.00 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.08 3dtd s VAL 83 Cb -0.01 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 3dtd s VAL 83 CO -0.00 -0.13 0.39 -0.22 -0.31 0.00 0.00 175.10 174.83 3dtd s LEU 84 N -2.53 4.17 0.53 1.32 0.20 -1.26 -1.56 118.68 119.55 3dtd s LEU 84 Ca 0.18 0.13 -0.17 0.00 0.69 0.00 0.00 54.13 54.95 3dtd s LEU 84 Cb -0.08 -2.43 -0.07 0.00 -0.43 0.00 0.00 46.19 43.19 3dtd s LEU 84 CO 0.08 -0.26 1.02 0.20 -0.29 0.00 0.00 176.35 177.10 3dtd s ASN 85 N 1.68 6.27 0.59 3.68 0.01 -0.21 -4.95 114.94 122.00 3dtd s ASN 85 Ca 0.15 1.74 0.28 0.00 -0.71 0.00 0.00 52.86 54.32 3dtd s ASN 85 Cb -0.16 -2.53 1.67 0.00 0.41 0.00 0.00 41.25 40.64 3dtd s ASN 85 CO 0.11 -0.83 2.13 0.00 -1.51 0.00 0.00 177.10 177.00 3dtd h ALA 86 N 0.93 1.77 -0.26 0.60 0.00 -1.98 -0.13 119.26 120.19 3dtd h ALA 86 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dtd h ALA 86 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dtd h ALA 86 CO 0.59 -0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 3dtd n ASP 87 N -3.85 1.77 0.00 0.00 5.75 -1.26 -4.93 116.55 114.03 3dtd n ASP 87 Ca 0.01 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 3dtd n ASP 87 Cb 0.27 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 1.10 1.44 3.74 6.12 0.00 -0.06 -5.05 105.19 112.48 3dtd n GLY 88 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.33 3.44 -0.29 1.61 1.01 -1.26 -4.79 120.40 117.79 3dtd s VAL 89 Ca 0.00 1.21 -0.12 0.00 0.00 0.00 0.00 61.98 63.07 3dtd s VAL 89 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3dtd s VAL 89 CO 0.00 0.19 0.24 -0.69 0.00 0.00 0.00 175.10 174.84 3dtd s VAL 90 N -0.05 5.27 0.15 2.92 1.01 -1.12 -1.04 120.40 127.54 3dtd s VAL 90 Ca 0.54 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.74 3dtd s VAL 90 Cb -0.34 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3dtd s VAL 90 CO 0.38 0.19 0.01 -0.94 0.00 0.00 0.00 175.10 174.74 3dtd s SER 91 N 1.73 0.88 0.00 3.32 1.04 -0.60 0.33 113.70 120.39 3dtd s SER 91 Ca 0.09 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3dtd s SER 91 Cb -0.16 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3dtd s SER 91 CO 0.11 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.32 3dtd n GLY 92 N -0.16 -0.66 2.99 7.32 0.00 -0.41 0.76 105.19 115.03 3dtd n GLY 92 Ca -0.07 -0.41 -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 0.83 -0.16 1.61 0.01 0.98 -1.29 114.94 112.92 3dtd s ASN 93 Ca 0.00 -0.13 -0.05 0.00 -0.71 0.00 0.00 52.86 51.97 3dtd s ASN 93 Cb 0.00 -0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.52 3dtd s ASN 93 CO 0.00 0.08 0.01 -0.22 -1.51 0.00 0.00 177.10 175.46 3dtd s LEU 94 N -0.13 3.54 -0.28 0.60 2.96 0.13 -0.58 118.68 124.92 3dtd s LEU 94 Ca 0.02 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 3dtd s LEU 94 Cb -0.03 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3dtd s LEU 94 CO -0.00 0.19 0.14 -0.89 -1.32 0.00 0.00 176.35 174.47 3dtd s THR 95 N 0.23 4.76 0.34 3.68 2.01 0.87 0.41 115.64 127.93 3dtd s THR 95 Ca 0.01 -0.11 0.09 0.00 0.31 0.00 0.00 61.69 61.98 3dtd s THR 95 Cb -0.13 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 3dtd s THR 95 CO 0.02 0.23 0.10 0.68 -0.69 0.00 0.00 174.62 174.96 3dtd s VAL 96 N 1.67 2.94 1.06 3.82 -7.23 0.50 -1.57 120.40 121.59 3dtd s VAL 96 Ca 0.06 -1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 58.33 3dtd s VAL 96 Cb -0.16 -2.92 0.23 0.00 0.56 0.00 0.00 36.38 34.08 3dtd s VAL 96 CO 0.07 -0.20 1.07 -2.84 -0.31 0.00 0.00 175.10 172.89 3dtd s PRO 97 N -3.80 -0.11 0.80 4.82 0.02 -1.25 -0.65 135.00 134.83 3dtd s PRO 97 Ca 0.36 0.95 -0.11 0.00 0.02 0.00 0.00 61.00 62.22 3dtd s PRO 97 Cb -0.02 -1.64 0.07 0.00 0.02 0.00 0.00 34.50 32.93 3dtd s PRO 97 CO 0.22 -3.21 1.09 -0.06 -0.33 0.00 0.00 177.00 174.70 3dtd s PHE 98 N -2.61 2.58 0.00 6.54 0.08 -1.26 -4.25 117.98 119.06 3dtd s PHE 98 Ca 0.67 1.44 0.00 0.00 0.12 0.00 0.00 56.93 59.16 3dtd s PHE 98 Cb -0.23 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 3dtd s PHE 98 CO 0.61 -1.89 0.00 0.41 -0.10 0.00 0.00 175.22 174.25 3dtd n GLY 99 N -1.33 0.54 3.76 4.36 0.00 -1.26 -5.03 105.19 106.24 3dtd n GLY 99 Ca 0.08 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 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 5.09 -0.24 -0.61 -1.09 -1.26 -0.45 121.20 120.64 3dtd s ILE 100 Ca 0.00 0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 59.09 3dtd s ILE 100 Cb 0.00 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 3dtd s ILE 100 CO 0.00 0.42 2.00 -0.22 -1.23 0.00 0.00 174.94 175.91 3dtd s LEU 101 N -0.06 3.57 0.32 2.97 2.96 0.15 -4.61 118.68 123.99 3dtd s LEU 101 Ca 0.26 1.71 0.15 0.00 -0.22 0.00 0.00 54.13 56.03 3dtd s LEU 101 Cb -0.16 -3.52 0.52 0.00 0.50 0.00 0.00 46.19 43.53 3dtd s LEU 101 CO 0.12 -1.75 1.67 0.58 -1.32 0.00 0.00 176.35 175.66 3dtd h VAL 102 N 6.84 1.15 0.00 1.68 2.07 -1.95 -3.08 116.25 122.96 3dtd h VAL 102 Ca -0.38 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.32 3dtd h VAL 102 Cb 1.21 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 3dtd h VAL 102 CO 0.99 0.48 0.00 0.77 0.02 0.00 0.00 177.57 179.83 3dtd h SER 103 N 0.00 0.00 -2.92 0.57 4.64 -1.96 -3.42 113.55 110.46 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 1.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 3dtd h SER 103 CO 0.06 0.00 -0.52 -0.54 -0.87 0.00 0.00 176.83 174.96 3dtd s LYS 104 N -3.20 3.31 0.72 4.77 1.02 -1.16 -5.10 119.74 120.09 3dtd s LYS 104 Ca 0.08 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.55 3dtd s LYS 104 Cb 0.08 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 3dtd s LYS 104 CO 0.62 0.65 1.07 -2.14 -0.92 0.00 0.00 175.35 174.63 3dtd s PRO 105 N -2.01 2.73 -0.27 -1.68 0.02 -1.26 -4.81 135.00 127.71 3dtd s PRO 105 Ca 0.28 0.87 -0.10 0.00 0.02 0.00 0.00 61.00 62.07 3dtd s PRO 105 Cb -0.12 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 3dtd s PRO 105 CO 0.19 -1.22 0.15 0.08 -0.33 0.00 0.00 177.00 175.87 3dtd s VAL 106 N -3.08 4.91 -0.18 3.83 1.01 0.31 -4.52 120.40 122.69 3dtd s VAL 106 Ca 0.59 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 3dtd s VAL 106 Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3dtd s VAL 106 CO 0.55 0.26 0.21 -0.60 0.00 0.00 0.00 175.10 175.52 3dtd s ARG 107 N 1.70 4.20 -0.14 2.72 3.52 0.37 -1.32 118.95 130.00 3dtd s ARG 107 Ca 0.07 -0.05 -0.00 0.00 -0.13 0.00 0.00 55.73 55.61 3dtd s ARG 107 Cb -0.16 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 3dtd s ARG 107 CO 0.08 0.29 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.22 3dtd s LEU 108 N 0.36 2.73 -0.03 -0.88 1.02 0.11 -0.89 118.68 121.10 3dtd s LEU 108 Ca 0.13 -0.33 -0.01 0.00 0.02 0.00 0.00 54.13 53.93 3dtd s LEU 108 Cb -0.12 -1.62 0.03 0.00 0.02 0.00 0.00 46.19 44.50 3dtd s LEU 108 CO 0.01 0.15 0.06 -1.58 0.02 0.00 0.00 176.35 175.01 3dtd s GLN 109 N 0.45 -0.00 -0.44 1.70 0.74 -0.33 -0.87 119.66 120.91 3dtd s GLN 109 Ca -0.09 0.24 -0.27 0.00 0.05 0.00 0.00 55.36 55.28 3dtd s GLN 109 Cb -0.16 -0.22 0.03 0.00 1.10 0.00 0.00 33.01 33.76 3dtd s GLN 109 CO 0.05 -0.16 1.02 0.08 -0.55 0.00 0.00 175.29 175.73 3dtd s VAL 110 N 1.07 4.39 0.00 1.34 1.01 -1.11 0.40 120.40 127.51 3dtd s VAL 110 Ca -0.09 1.09 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3dtd s VAL 110 Cb -0.12 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.77 3dtd s VAL 110 CO -0.04 -0.83 0.00 0.47 0.00 0.00 0.00 175.10 174.71 3dtd n ASP 111 N 7.35 0.00 -0.85 3.32 8.00 -0.56 -2.20 116.55 131.62 3dtd n ASP 111 Ca 0.09 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.64 3dtd n ASP 111 Cb 0.48 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.74 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 13.36 1.21 -0.46 -1.24 1.02 -1.26 -4.81 120.64 128.45 3dtd n GLU 112 Ca 0.00 -2.99 0.00 0.00 -0.02 0.00 0.00 57.16 54.15 3dtd n GLU 112 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3dtd n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dtd n GLY 113 N -0.71 0.93 0.12 0.62 0.00 -0.93 -5.02 105.19 100.20 3dtd n GLY 113 Ca 0.16 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.35 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 -5.81 1.61 1.57 -1.98 -3.44 116.57 108.51 3dtd h LYS 114 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3dtd h LYS 114 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3dtd h LYS 114 CO 0.00 0.00 0.97 0.00 -0.57 0.00 0.00 179.45 179.85 3dtd s ALA 115 N -3.16 1.85 -0.12 3.86 0.00 -1.26 -4.95 121.76 117.98 3dtd s ALA 115 Ca 0.08 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3dtd s ALA 115 Cb 0.11 -4.46 0.02 0.00 0.00 0.00 0.00 23.12 18.79 3dtd s ALA 115 CO 0.66 -4.47 -0.15 0.08 0.00 0.00 0.00 175.76 171.88 3dtd s VAL 116 N 9.74 1.55 -0.07 0.00 1.01 -1.26 -2.73 120.40 128.64 3dtd s VAL 116 Ca 0.69 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.04 3dtd s VAL 116 Cb -0.09 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3dtd s VAL 116 CO 0.08 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 174.84 3dtd s ILE 117 N 1.10 2.90 -0.18 2.22 1.01 -0.05 -4.98 121.20 123.23 3dtd s ILE 117 Ca -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.86 3dtd s ILE 117 Cb -0.14 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.20 3dtd s ILE 117 CO -0.04 0.57 -0.19 -0.70 0.00 0.00 0.00 174.94 174.58 3dtd s GLU 118 N -0.39 3.03 0.14 2.79 2.12 -1.26 0.05 118.70 125.18 3dtd s GLU 118 Ca 0.04 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.58 3dtd s GLU 118 Cb -0.12 -2.59 -0.01 0.00 0.26 0.00 0.00 34.13 31.67 3dtd s GLU 118 CO 0.02 -0.18 0.11 -2.37 -0.54 0.00 0.00 175.26 172.31 3dtd n THR 119 N 4.55 0.00 -4.16 -1.70 5.66 -0.43 -4.97 114.28 113.22 3dtd n THR 119 Ca -0.21 -1.00 -0.11 0.00 -3.05 0.00 0.00 64.05 59.68 3dtd n THR 119 Cb 0.50 0.49 -0.09 0.00 -1.55 0.00 0.00 70.33 69.68 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 -1.96 1.26 0.10 1.09 0.00 -1.26 0.11 107.32 106.67 3dtd s GLY 120 Ca 0.16 -1.56 -0.31 0.00 0.00 0.00 0.00 44.72 43.01 3dtd s GLY 120 CO 0.11 -1.29 1.38 -0.42 0.00 0.00 0.00 173.10 172.89 3dtd s ILE 121 N -4.13 3.39 -0.13 0.90 1.01 -1.26 -4.12 121.20 116.86 3dtd s ILE 121 Ca 0.35 0.98 -0.13 0.00 0.00 0.00 0.00 60.65 61.85 3dtd s ILE 121 Cb 0.06 -3.63 -0.25 0.00 0.01 0.00 0.00 42.46 38.65 3dtd s ILE 121 CO 0.10 0.07 0.40 -0.09 0.00 0.00 0.00 174.94 175.42 3dtd h ARG 122 N 6.95 0.21 -2.72 2.79 2.43 -1.35 -3.49 114.38 119.20 3dtd h ARG 122 Ca -0.42 -0.36 0.11 0.00 -0.81 0.00 0.00 59.98 58.51 3dtd h ARG 122 Cb 1.21 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.82 3dtd h ARG 122 CO 0.87 1.17 0.34 -0.08 -1.51 0.00 0.00 179.97 180.76 3dtd s THR 123 N -2.50 0.00 0.06 0.20 -1.32 -1.23 -5.04 115.64 105.81 3dtd s THR 123 Ca -0.23 -0.81 0.07 0.00 -1.21 0.00 0.00 61.69 59.51 3dtd s THR 123 Cb 0.06 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.07 3dtd s THR 123 CO 0.73 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.95 3dtd s VAL 125 N -0.89 1.01 0.54 0.00 -7.23 0.27 -4.97 120.40 109.13 3dtd s VAL 125 Ca 0.06 -2.00 0.30 0.00 -1.81 0.00 0.00 61.98 58.53 3dtd s VAL 125 Cb -0.09 -2.53 0.45 0.00 0.56 0.00 0.00 36.38 34.78 3dtd s VAL 125 CO 0.02 0.00 1.91 -0.65 -0.31 0.00 0.00 175.10 176.08 3dtd h PRO 126 N 1.83 0.00 0.00 4.82 0.11 -2.04 -0.95 132.00 135.77 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 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3dtd h PRO 126 CO 0.66 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 3dtd h ALA 127 N 1.58 1.00 0.00 -0.75 0.00 -1.99 -3.49 119.26 115.60 3dtd h ALA 127 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3dtd h ALA 127 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 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 0.62 0.99 3.74 0.00 0.00 -0.36 -4.93 105.19 105.25 3dtd n GLY 128 Ca 0.03 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 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 0.27 5.30 -0.29 0.00 -1.09 0.14 -0.37 121.20 125.16 3dtd s ILE 130 Ca 0.20 0.37 0.01 0.00 -2.23 0.00 0.00 60.65 59.00 3dtd s ILE 130 Cb -0.14 -3.59 0.06 0.00 -1.58 0.00 0.00 42.46 37.22 3dtd s ILE 130 CO 0.07 0.30 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.35 3dtd s VAL 131 N 1.23 2.58 0.29 2.92 1.01 0.16 -0.77 120.40 127.82 3dtd s VAL 131 Ca 0.12 -1.61 -0.29 0.00 0.00 0.00 0.00 61.98 60.19 3dtd s VAL 131 Cb -0.14 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.59 3dtd s VAL 131 CO 0.06 -0.14 1.25 -2.84 0.00 0.00 0.00 175.10 173.42 3dtd s PRO 132 N 1.15 4.45 -0.02 2.72 0.02 -1.26 0.20 135.00 142.25 3dtd s PRO 132 Ca -0.05 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.06 3dtd s PRO 132 Cb -0.20 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.19 3dtd s PRO 132 CO -0.04 -0.08 -0.08 0.96 -0.33 0.00 0.00 177.00 177.43 3dtd s ILE 133 N -0.92 0.70 -0.10 2.83 -4.36 -0.41 -4.74 121.20 114.19 3dtd s ILE 133 Ca 0.49 -0.33 0.01 0.00 -0.26 0.00 0.00 60.65 60.56 3dtd s ILE 133 Cb -0.37 -0.61 0.02 0.00 1.25 0.00 0.00 42.46 42.75 3dtd s ILE 133 CO 0.47 0.22 -0.11 -0.69 0.24 0.00 0.00 174.94 175.06 3dtd s VAL 134 N 0.09 1.19 -0.19 8.37 1.01 -1.26 -1.28 120.40 128.32 3dtd s VAL 134 Ca -0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 3dtd s VAL 134 Cb -0.07 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3dtd s VAL 134 CO 0.00 0.38 -0.01 -0.36 0.00 0.00 0.00 175.10 175.12 3dtd s PHE 135 N 1.21 3.03 0.88 5.22 2.99 0.15 -5.01 117.98 126.45 3dtd s PHE 135 Ca -0.04 -0.46 -0.14 0.00 0.00 0.00 0.00 56.93 56.29 3dtd s PHE 135 Cb -0.14 -2.07 0.13 0.00 0.00 0.00 0.00 43.02 40.95 3dtd s PHE 135 CO -0.03 -0.23 1.22 0.16 -0.00 0.00 0.00 175.22 176.34 3dtd s ASP 136 N 0.93 3.83 0.32 1.36 1.47 -1.26 -2.81 116.67 120.51 3dtd s ASP 136 Ca 0.01 0.62 0.06 0.00 1.18 0.00 0.00 52.55 54.42 3dtd s ASP 136 Cb -0.14 -0.96 0.71 0.00 -0.34 0.00 0.00 42.92 42.19 3dtd s ASP 136 CO 0.02 -2.31 1.84 0.11 0.68 0.00 0.00 175.17 175.50 3dtd h LYS 137 N -1.34 0.79 -0.38 2.11 1.79 -1.99 -0.38 116.57 117.16 3dtd h LYS 137 Ca -0.46 -0.05 -0.15 0.00 -2.18 0.00 0.00 60.65 57.81 3dtd h LYS 137 Cb 1.30 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 3dtd h LYS 137 CO 0.55 0.52 -0.36 -0.97 -1.08 0.00 0.00 179.45 178.11 3dtd h ASN 138 N 0.81 0.98 -0.16 0.86 -1.24 -2.00 -2.47 115.58 112.36 3dtd h ASN 138 Ca 0.49 -0.46 -0.20 0.00 0.71 0.00 0.00 56.30 56.84 3dtd h ASN 138 Cb 0.68 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.46 3dtd h ASN 138 CO -0.26 1.24 -0.65 0.22 -1.29 0.00 0.00 177.43 176.69 3dtd h TYR 139 N 0.73 1.02 -0.56 0.67 5.03 -1.73 -2.68 116.97 119.44 3dtd h TYR 139 Ca 0.06 -0.40 0.05 0.00 2.58 0.00 0.00 58.73 61.02 3dtd h TYR 139 Cb 0.96 -0.18 -0.05 0.00 1.55 0.00 0.00 36.73 39.01 3dtd h TYR 139 CO 0.06 1.22 0.29 0.28 -1.32 0.00 0.00 178.16 178.70 3dtd h VAL 140 N 0.57 0.95 -0.62 1.81 2.07 -1.11 -0.45 116.25 119.47 3dtd h VAL 140 Ca -0.02 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3dtd h VAL 140 Cb 1.26 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3dtd h VAL 140 CO 0.14 0.10 0.34 0.00 0.02 0.00 0.00 177.57 178.17 3dtd h ALA 141 N 1.31 1.44 -0.37 1.67 0.00 -1.40 -1.56 119.26 120.35 3dtd h ALA 141 Ca 0.25 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3dtd h ALA 141 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dtd h ALA 141 CO -0.17 0.46 -0.34 0.00 0.00 0.00 0.00 179.25 179.20 3dtd h ALA 142 N 1.52 0.71 -0.68 0.00 0.00 -1.05 -2.90 119.26 116.87 3dtd h ALA 142 Ca 0.22 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3dtd h ALA 142 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3dtd h ALA 142 CO -0.04 0.66 0.31 -0.07 0.00 0.00 0.00 179.25 180.12 3dtd h LEU 143 N 0.69 0.87 -1.05 0.00 4.07 -0.58 -0.22 115.31 119.09 3dtd h LEU 143 Ca 0.07 -0.10 -0.09 0.00 0.08 0.00 0.00 57.88 57.85 3dtd h LEU 143 Cb 0.89 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 3dtd h LEU 143 CO 0.08 0.75 -0.25 0.03 -1.08 0.00 0.00 178.44 177.97 3dtd h ARG 144 N 0.96 0.37 -0.00 1.13 3.08 -1.23 -3.14 114.38 115.55 3dtd h ARG 144 Ca 0.23 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3dtd h ARG 144 Cb 0.11 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3dtd h ARG 144 CO -0.03 0.60 -0.68 0.00 -1.07 0.00 0.00 179.97 178.79 3dtd n ALA 145 N -2.48 4.02 -2.03 0.04 0.00 -1.05 -4.68 120.51 114.32 3dtd n ALA 145 Ca -0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 53.44 52.67 3dtd n ALA 145 Cb 0.39 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.86 1.67 -0.13 0.00 0.00 -0.12 -5.04 107.32 100.83 3dtd s GLY 146 Ca 0.12 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3dtd s GLY 146 CO 0.73 -0.59 -0.11 0.28 0.00 0.00 0.00 173.10 173.41 3dtd n LYS 147 N -2.62 0.50 -4.43 2.90 5.02 -1.26 -4.69 118.16 113.57 3dtd n LYS 147 Ca 0.06 0.07 -0.20 0.00 -2.02 0.00 0.00 58.31 56.23 3dtd n LYS 147 Cb 0.59 -1.27 -0.14 0.00 -0.02 0.00 0.00 35.03 34.18 3dtd n LYS 147 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dtd s HIS 148 N -2.27 1.01 -0.46 2.13 3.76 -1.26 -1.14 115.29 117.06 3dtd s HIS 148 Ca -0.17 -0.23 -0.12 0.00 -0.15 0.00 0.00 55.06 54.38 3dtd s HIS 148 Cb 0.05 -0.64 0.09 0.00 1.11 0.00 0.00 32.58 33.19 3dtd s HIS 148 CO 0.33 -0.01 0.34 -1.17 -0.85 0.00 0.00 174.74 173.38 3dtd s LEU 149 N -0.50 5.50 0.17 0.89 2.96 0.57 -1.49 118.68 126.77 3dtd s LEU 149 Ca 0.03 -1.55 -0.30 0.00 -0.22 0.00 0.00 54.13 52.09 3dtd s LEU 149 Cb -0.05 -2.07 -0.07 0.00 0.50 0.00 0.00 46.19 44.49 3dtd s LEU 149 CO -0.00 -0.63 0.94 -0.54 -1.32 0.00 0.00 176.35 174.80 3dtd s LYS 150 N 1.50 4.76 -0.04 1.98 1.02 0.16 -0.88 119.74 128.24 3dtd s LYS 150 Ca 0.04 1.45 0.02 0.00 0.02 0.00 0.00 55.97 57.50 3dtd s LYS 150 Cb -0.25 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 3dtd s LYS 150 CO 0.03 0.36 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.22 3dtd s LEU 151 N -0.56 3.05 -0.07 3.17 2.01 0.01 -1.19 118.68 125.11 3dtd s LEU 151 Ca 0.44 -0.11 0.00 0.00 0.01 0.00 0.00 54.13 54.48 3dtd s LEU 151 Cb -0.24 -1.68 0.02 0.00 0.01 0.00 0.00 46.19 44.29 3dtd s LEU 151 CO 0.31 0.34 -0.05 0.00 1.01 0.00 0.00 176.35 177.95 3dtd s ALA 152 N -0.84 0.89 0.27 4.21 0.00 -0.06 -4.31 121.76 121.91 3dtd s ALA 152 Ca 0.13 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 3dtd s ALA 152 Cb -0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3dtd s ALA 152 CO 0.03 -0.17 0.39 0.00 0.00 0.00 0.00 175.76 176.01 3dtd s MET 153 N 1.26 1.59 -0.14 0.00 0.23 -0.57 -0.48 119.30 121.18 3dtd s MET 153 Ca -0.05 -1.53 -0.02 0.00 -1.03 0.00 0.00 55.69 53.06 3dtd s MET 153 Cb -0.14 0.41 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 3dtd s MET 153 CO -0.02 -0.63 -0.07 0.99 -2.03 0.00 0.00 175.02 173.26 3dtd s THR 154 N -3.73 3.60 0.08 3.16 2.01 -1.26 -0.08 115.64 119.43 3dtd s THR 154 Ca 0.29 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 3dtd s THR 154 Cb 0.01 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 3dtd s THR 154 CO 0.14 0.51 0.96 -0.63 -0.69 0.00 0.00 174.62 174.90 3dtd s ILE 155 N 0.27 4.59 -1.19 1.82 1.01 0.12 0.33 121.20 128.15 3dtd s ILE 155 Ca -0.05 2.05 -0.20 0.00 0.00 0.00 0.00 60.65 62.45 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 0.04 0.29 1.65 0.00 0.00 0.00 0.00 174.94 176.92 3dtd s ALA 156 N 0.20 3.03 0.12 9.38 0.00 0.41 -3.89 121.76 131.02 3dtd s ALA 156 Ca 0.48 -2.64 -0.11 0.00 0.00 0.00 0.00 51.96 49.68 3dtd s ALA 156 Cb -0.23 -4.61 0.01 0.00 0.00 0.00 0.00 23.12 18.29 3dtd s ALA 156 CO 0.29 -3.50 0.29 0.00 0.00 0.00 0.00 175.76 172.84 3dtd s ALA 157 N 4.83 -0.44 0.02 0.00 0.00 -1.26 -4.91 121.76 120.00 3dtd s ALA 157 Ca 0.52 -0.48 -0.34 0.00 0.00 0.00 0.00 51.96 51.66 3dtd s ALA 157 Cb 0.02 0.64 -0.13 0.00 0.00 0.00 0.00 23.12 23.66 3dtd s ALA 157 CO 0.02 -0.59 1.74 -2.30 0.00 0.00 0.00 175.76 174.62 3dtd n PRO 158 N -0.16 2.15 0.00 0.00 -0.02 -1.26 -1.00 135.00 134.71 3dtd n PRO 158 Ca -0.14 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3dtd n PRO 158 Cb 0.63 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3dtd n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dtd n GLY 159 N 3.94 3.10 3.55 -1.23 0.00 -1.26 -4.67 105.19 108.63 3dtd n GLY 159 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.33 -2.49 1.61 1.02 -0.18 -4.96 120.64 112.32 3dtd n GLU 160 Ca 0.00 0.83 -0.34 0.00 -0.02 0.00 0.00 57.16 57.63 3dtd n GLU 160 Cb 0.00 -3.97 -0.03 0.00 -0.02 0.00 0.00 31.44 27.42 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 -4.85 3.71 0.47 3.49 0.02 -1.25 -4.67 135.00 131.91 3dtd s PRO 161 Ca 0.20 1.42 -0.20 0.00 0.02 0.00 0.00 61.00 62.43 3dtd s PRO 161 Cb -0.07 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 3dtd s PRO 161 CO 0.84 -0.52 1.00 -1.25 -0.33 0.00 0.00 177.00 176.74 3dtd s PRO 162 N -3.24 3.98 -0.29 5.54 0.04 -1.26 -0.70 135.00 139.07 3dtd s PRO 162 Ca 0.68 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.97 3dtd s PRO 162 Cb -0.18 -2.13 0.07 0.00 0.04 0.00 0.00 34.50 32.29 3dtd s PRO 162 CO 0.21 -0.26 -0.05 -1.17 0.04 0.00 0.00 177.00 175.78 3dtd s LEU 163 N -3.42 3.83 0.00 -3.56 2.96 0.88 -4.83 118.68 114.54 3dtd s LEU 163 Ca 0.64 -1.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 3dtd s LEU 163 Cb -0.13 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.95 3dtd s LEU 163 CO 0.18 -0.25 0.27 0.59 -1.32 0.00 0.00 176.35 175.83 3dtd n ASN 164 N 4.45 0.55 -0.52 3.68 3.02 -1.26 -1.52 115.26 123.67 3dtd n ASN 164 Ca -0.11 -0.79 0.13 0.00 -0.03 0.00 0.00 54.58 53.78 3dtd n ASN 164 Cb 0.42 0.32 0.47 0.00 -0.61 0.00 0.00 39.78 40.38 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 -0.32 1.59 -4.83 6.41 3.85 -1.26 -4.68 116.55 117.32 3dtd n ASP 165 Ca 0.00 -1.57 -0.37 0.00 -0.71 0.00 0.00 54.79 52.14 3dtd n ASP 165 Cb 0.02 -0.03 -0.06 0.00 -1.35 0.00 0.00 41.12 39.70 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 -1.87 4.40 0.20 -2.12 1.02 -1.26 -5.01 118.68 114.04 3dtd s LEU 166 Ca 0.36 1.22 -0.13 0.00 0.02 0.00 0.00 54.13 55.60 3dtd s LEU 166 Cb 0.20 -3.23 0.01 0.00 0.02 0.00 0.00 46.19 43.19 3dtd s LEU 166 CO 0.31 0.14 0.43 0.72 0.02 0.00 0.00 176.35 177.98 3dtd s PHE 167 N -1.36 0.18 -0.13 0.29 -0.12 -1.26 -0.81 117.98 114.77 3dtd s PHE 167 Ca 0.36 -0.54 0.02 0.00 -0.05 0.00 0.00 56.93 56.72 3dtd s PHE 167 Cb -0.17 0.19 -0.00 0.00 -0.63 0.00 0.00 43.02 42.41 3dtd s PHE 167 CO 0.20 -0.87 -0.18 0.08 -0.05 0.00 0.00 175.22 174.39 3dtd s VAL 168 N -3.94 2.52 0.19 -2.49 1.01 -0.06 -4.90 120.40 112.71 3dtd s VAL 168 Ca 0.15 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 3dtd s VAL 168 Cb 0.01 -2.02 -0.08 0.00 0.00 0.00 0.00 36.38 34.29 3dtd s VAL 168 CO 0.01 0.54 1.08 -1.10 0.00 0.00 0.00 175.10 175.63 3dtd s GLN 169 N 0.50 4.62 0.00 2.72 -0.21 -1.26 -0.31 119.66 125.72 3dtd s GLN 169 Ca -0.12 1.69 0.16 0.00 0.02 0.00 0.00 55.36 57.11 3dtd s GLN 169 Cb -0.16 -3.28 0.39 0.00 1.00 0.00 0.00 33.01 30.96 3dtd s GLN 169 CO 0.05 0.13 1.31 1.28 -2.12 0.00 0.00 175.29 175.94 3dtd n LEU 170 N 2.23 3.18 -4.62 2.90 4.77 -0.29 -4.92 117.00 120.25 3dtd n LEU 170 Ca 0.02 -1.80 -0.43 0.00 -0.03 0.00 0.00 56.01 53.77 3dtd n LEU 170 Cb 0.46 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3dtd n LEU 170 CO 0.53 0.76 1.71 0.21 -1.33 0.00 0.00 177.39 179.28 3dtd s ASN 171 N -1.08 5.88 0.00 -1.43 3.84 -1.26 -1.96 114.94 118.93 3dtd s ASN 171 Ca 0.32 2.10 0.00 0.00 0.21 0.00 0.00 52.86 55.48 3dtd s ASN 171 Cb 0.17 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 3dtd s ASN 171 CO 0.23 -1.59 0.00 0.61 -2.79 0.00 0.00 177.10 173.55 3dtd n GLY 172 N 5.25 0.57 0.09 1.21 0.00 -1.26 -0.99 105.19 110.07 3dtd n GLY 172 Ca 0.25 0.00 -0.09 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 0.01 -0.23 1.61 3.57 -1.63 -1.59 116.94 118.68 3dtd h PHE 173 Ca 0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3dtd h PHE 173 Cb 0.00 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3dtd h PHE 173 CO 0.00 -0.01 0.14 1.03 -2.23 0.00 0.00 178.31 177.24 3dtd h SER 174 N 0.07 0.28 -0.25 0.41 0.87 -1.83 -0.11 113.55 112.98 3dtd h SER 174 Ca 0.08 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 3dtd h SER 174 Cb 0.09 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3dtd h SER 174 CO -0.12 0.25 -0.18 0.78 -0.53 0.00 0.00 176.83 177.02 3dtd h ASN 175 N 0.28 0.70 -0.04 6.23 2.35 -1.93 -1.27 115.58 121.89 3dtd h ASN 175 Ca 0.08 -0.23 -0.14 0.00 -0.55 0.00 0.00 56.30 55.47 3dtd h ASN 175 Cb 0.02 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3dtd h ASN 175 CO -0.02 0.88 -0.43 0.00 -1.65 0.00 0.00 177.43 176.22 3dtd h ALA 176 N 1.18 0.82 -0.26 -0.83 0.00 -1.11 -2.37 119.26 116.70 3dtd h ALA 176 Ca 0.10 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 3dtd h ALA 176 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3dtd h ALA 176 CO 0.05 0.65 -0.43 1.25 0.00 0.00 0.00 179.25 180.77 3dtd h LEU 177 N 0.47 0.68 -1.14 0.00 5.85 -0.84 -2.00 115.31 118.33 3dtd h LEU 177 Ca 0.04 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.45 3dtd h LEU 177 Cb 0.94 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 3dtd h LEU 177 CO 0.08 1.02 0.58 0.78 -0.34 0.00 0.00 178.44 180.57 3dtd h ASN 178 N 0.52 0.99 -0.15 1.25 2.35 -1.14 -1.10 115.58 118.29 3dtd h ASN 178 Ca 0.04 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 3dtd h ASN 178 Cb 0.96 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3dtd h ASN 178 CO 0.09 0.71 -0.34 -0.09 -1.65 0.00 0.00 177.43 176.14 3dtd h ARG 179 N 1.16 0.66 -0.64 0.81 9.65 -1.26 -1.10 114.38 123.67 3dtd h ARG 179 Ca 0.33 -0.31 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 3dtd h ARG 179 Cb -0.09 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 3dtd h ARG 179 CO -0.08 0.91 0.14 -0.07 2.80 0.00 0.00 179.97 183.68 3dtd h LEU 180 N 0.56 0.95 -0.33 3.80 4.07 -0.95 -0.05 115.31 123.35 3dtd h LEU 180 Ca 0.06 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 3dtd h LEU 180 Cb 0.86 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 3dtd h LEU 180 CO 0.07 0.92 0.11 0.40 -1.08 0.00 0.00 178.44 178.87 3dtd h ILE 181 N 0.96 1.20 -0.45 1.22 2.04 -1.04 -2.61 117.51 118.82 3dtd h ILE 181 Ca 0.20 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 3dtd h ILE 181 Cb 0.35 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3dtd h ILE 181 CO 0.00 0.22 0.14 0.00 0.00 0.00 0.00 178.15 178.51 3dtd h ALA 182 N 0.95 1.39 0.00 1.87 0.00 -0.97 -2.57 119.26 119.94 3dtd h ALA 182 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3dtd h ALA 182 Cb 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3dtd h ALA 182 CO -0.01 0.45 -0.26 -0.07 0.00 0.00 0.00 179.25 179.36 3dtd h LEU 183 N 0.65 0.00 -0.50 0.00 3.38 -0.95 -2.88 115.31 115.02 3dtd h LEU 183 Ca 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 3dtd h LEU 183 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3dtd h LEU 183 CO -0.01 0.26 -0.36 1.56 0.09 0.00 0.00 178.44 179.98 3dtd h GLN 184 N 0.00 0.83 0.00 1.13 4.20 -1.07 -1.42 115.11 118.79 3dtd h GLN 184 Ca -0.00 -0.42 -0.11 0.00 0.06 0.00 0.00 58.65 58.18 3dtd h GLN 184 Cb 0.93 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 3dtd h GLN 184 CO 0.03 1.05 -0.54 0.87 -0.67 0.00 0.00 178.83 179.58 3dtd h LYS 185 N 0.68 0.00 -0.06 1.46 1.57 -1.46 -3.11 116.57 115.66 3dtd h LYS 185 Ca 0.06 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3dtd h LYS 185 Cb 0.93 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.24 3dtd h LYS 185 CO 0.09 0.54 -0.38 0.93 -0.57 0.00 0.00 179.45 180.05 3dtd h GLU 186 N 0.00 0.37 -0.03 3.15 5.08 -1.49 -3.52 114.58 118.14 3dtd h GLU 186 Ca -0.01 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3dtd h GLU 186 Cb 0.98 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3dtd h GLU 186 CO 0.07 0.96 0.00 0.41 -1.00 0.00 0.00 179.01 179.45