#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5z h PRO 17 N 0.00 -0.39 -7.04 -1.46 0.11 -2.01 -3.44 132.00 117.77 1m5z h PRO 17 Ca 0.00 0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.62 1m5z h PRO 17 Cb 0.00 0.09 0.08 0.00 0.11 0.00 0.00 31.00 31.28 1m5z h PRO 17 CO 0.00 -0.26 0.48 0.99 -0.21 0.00 0.00 178.00 179.00 1m5z s THR 18 N -3.66 2.91 -1.12 -1.15 2.01 -1.26 -4.90 115.64 108.47 1m5z s THR 18 Ca -0.06 0.63 0.10 0.00 0.31 0.00 0.00 61.69 62.68 1m5z s THR 18 Cb 0.01 -3.29 0.11 0.00 0.01 0.00 0.00 72.50 69.33 1m5z s THR 18 CO 0.18 -0.06 1.30 -2.65 -0.69 0.00 0.00 174.62 172.70 1m5z n PRO 19 N -0.95 0.04 -3.79 4.92 -0.02 -1.26 -4.79 135.00 129.15 1m5z n PRO 19 Ca 0.10 0.29 -0.08 0.00 -2.02 0.00 0.00 63.50 61.78 1m5z n PRO 19 Cb 0.49 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 1m5z n PRO 19 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1m5z s VAL 20 N -2.88 0.00 -0.04 -1.45 -7.23 -1.26 -3.43 120.40 104.11 1m5z s VAL 20 Ca 0.06 -0.86 -0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1m5z s VAL 20 Cb 0.07 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 35.21 1m5z s VAL 20 CO 0.18 -0.01 0.05 -1.61 -0.31 0.00 0.00 175.10 173.39 1m5z s GLU 21 N -3.90 0.01 0.32 4.82 0.41 -0.06 -4.63 118.70 115.68 1m5z s GLU 21 Ca 0.10 0.30 -0.29 0.00 -0.41 0.00 0.00 54.97 54.67 1m5z s GLU 21 Cb -0.04 -0.50 -0.11 0.00 -1.78 0.00 0.00 34.13 31.69 1m5z s GLU 21 CO 0.03 -0.29 1.57 1.28 -0.49 0.00 0.00 175.26 177.37 1m5z n LEU 22 N 5.00 4.50 -3.63 1.80 4.77 -1.26 -1.20 117.00 126.99 1m5z n LEU 22 Ca -0.10 1.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.97 1m5z n LEU 22 Cb 0.50 -1.60 -0.09 0.00 -2.33 0.00 0.00 43.42 39.90 1m5z n LEU 22 CO 0.10 0.16 0.03 -2.28 -1.33 0.00 0.00 177.39 174.08 1m5z s HIS 23 N -0.31 -0.83 0.11 -1.77 5.65 0.14 -4.93 115.29 113.35 1m5z s HIS 23 Ca 0.61 1.50 -0.31 0.00 0.25 0.00 0.00 55.06 57.11 1m5z s HIS 23 Cb -0.49 0.30 -0.08 0.00 -1.18 0.00 0.00 32.58 31.14 1m5z s HIS 23 CO 0.53 -0.51 1.34 0.21 -0.65 0.00 0.00 174.74 175.66 1m5z s LYS 24 N 2.62 4.35 -0.00 2.88 2.20 -1.26 -2.11 119.74 128.42 1m5z s LYS 24 Ca -0.00 2.01 0.04 0.00 -0.36 0.00 0.00 55.97 57.65 1m5z s LYS 24 Cb -0.12 -3.26 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1m5z s LYS 24 CO -0.13 -0.38 -0.11 0.08 -0.36 0.00 0.00 175.35 174.44 1m5z s VAL 25 N 0.99 0.89 -0.23 4.02 1.01 0.69 -4.97 120.40 122.80 1m5z s VAL 25 Ca 0.63 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1m5z s VAL 25 Cb -0.35 -0.76 0.07 0.00 0.00 0.00 0.00 36.38 35.34 1m5z s VAL 25 CO 0.31 0.21 0.06 -0.89 0.00 0.00 0.00 175.10 174.78 1m5z s THR 26 N -0.35 0.56 0.49 3.92 2.01 -1.26 -0.64 115.64 120.37 1m5z s THR 26 Ca 0.04 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1m5z s THR 26 Cb -0.05 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.31 1m5z s THR 26 CO -0.00 -0.36 0.45 -0.76 -0.69 0.00 0.00 174.62 173.26 1m5z s LEU 27 N 1.82 3.09 0.32 4.42 1.43 -0.48 -4.87 118.68 124.42 1m5z s LEU 27 Ca 0.02 -0.95 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 1m5z s LEU 27 Cb -0.17 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 1m5z s LEU 27 CO -0.14 -0.93 -0.06 -0.31 0.23 0.00 0.00 176.35 175.14 1m5z s TYR 28 N -2.61 2.18 -0.12 0.29 2.02 -1.26 -0.41 117.35 117.45 1m5z s TYR 28 Ca 0.45 -0.63 -0.00 0.00 -0.37 0.00 0.00 57.07 56.52 1m5z s TYR 28 Cb -0.03 -1.29 0.02 0.00 -0.40 0.00 0.00 41.96 40.26 1m5z s TYR 28 CO 0.27 0.40 -0.09 0.21 -1.57 0.00 0.00 175.55 174.77 1m5z s LYS 29 N -3.69 1.71 0.01 -0.62 2.47 0.42 -4.88 119.74 115.16 1m5z s LYS 29 Ca 0.32 -0.33 -0.30 0.00 -1.56 0.00 0.00 55.97 54.09 1m5z s LYS 29 Cb 0.04 -1.69 -0.04 0.00 -1.46 0.00 0.00 37.83 34.67 1m5z s LYS 29 CO 0.15 -0.24 1.17 0.34 0.16 0.00 0.00 175.35 176.92 1m5z s ASP 30 N 1.59 7.11 0.56 1.43 2.15 -1.26 -4.61 116.67 123.64 1m5z s ASP 30 Ca 0.04 1.90 0.40 0.00 0.43 0.00 0.00 52.55 55.31 1m5z s ASP 30 Cb -0.13 -2.57 1.55 0.00 -0.30 0.00 0.00 42.92 41.47 1m5z s ASP 30 CO -0.08 -0.48 1.69 -1.28 -0.17 0.00 0.00 175.17 174.85 1m5z h SER 31 N 7.03 0.00 0.26 -0.34 0.87 -1.99 0.23 113.55 119.61 1m5z h SER 31 Ca -0.39 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.83 1m5z h SER 31 Cb 1.20 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1m5z h SER 31 CO 0.83 0.00 -1.74 1.23 -0.53 0.00 0.00 176.83 176.61 1m5z h GLY 32 N 0.00 0.36 -2.97 5.77 0.00 -2.01 -3.46 103.07 100.75 1m5z h GLY 32 Ca 0.65 -0.92 -0.48 0.00 0.00 0.00 0.00 47.33 46.58 1m5z h GLY 32 CO -0.01 0.81 0.23 1.06 0.00 0.00 0.00 176.54 178.62 1m5z s MET 33 N -2.59 4.30 -0.19 4.80 -1.94 0.82 -4.98 119.30 119.52 1m5z s MET 33 Ca -0.15 1.02 0.11 0.00 -1.71 0.00 0.00 55.69 54.96 1m5z s MET 33 Cb 0.06 -2.62 -0.19 0.00 2.01 0.00 0.00 34.83 34.09 1m5z s MET 33 CO 0.84 0.22 -0.02 -1.91 -0.01 0.00 0.00 175.02 174.14 1m5z n GLU 34 N 0.17 0.98 -2.93 2.03 4.07 -1.26 -4.36 120.64 119.34 1m5z n GLU 34 Ca 0.02 0.04 -0.31 0.00 -0.06 0.00 0.00 57.16 56.84 1m5z n GLU 34 Cb 0.52 -1.44 -0.05 0.00 -0.06 0.00 0.00 31.44 30.41 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1m5z s ASP 35 N -5.45 6.64 -0.07 4.31 1.01 -1.26 -4.67 116.67 117.19 1m5z s ASP 35 Ca -0.15 1.24 0.10 0.00 0.71 0.00 0.00 52.55 54.45 1m5z s ASP 35 Cb 0.06 -2.36 0.42 0.00 1.01 0.00 0.00 42.92 42.04 1m5z s ASP 35 CO 0.64 -0.33 1.25 0.49 0.21 0.00 0.00 175.17 177.43 1m5z n PHE 36 N -0.92 0.88 -1.21 4.23 3.72 -1.26 -4.83 117.46 118.06 1m5z n PHE 36 Ca 0.03 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 1m5z n PHE 36 Cb 0.54 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1m5z n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m5z n GLY 37 N 0.74 0.48 3.29 1.37 0.00 -1.26 -3.25 105.19 106.56 1m5z n GLY 37 Ca 0.15 -0.92 0.03 0.00 0.00 0.00 0.00 46.02 45.27 1m5z n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1m5z s PHE 38 N -2.00 -0.40 0.29 1.61 -0.12 -1.26 0.19 117.98 116.29 1m5z s PHE 38 Ca 0.00 0.68 -0.06 0.00 -0.05 0.00 0.00 56.93 57.50 1m5z s PHE 38 Cb 0.00 0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.57 1m5z s PHE 38 CO 0.00 -0.20 0.56 -1.12 -0.05 0.00 0.00 175.22 174.41 1m5z s SER 39 N 2.28 6.47 0.43 1.98 0.01 0.30 -4.93 113.70 120.23 1m5z s SER 39 Ca -0.01 0.75 0.07 0.00 1.31 0.00 0.00 55.95 58.07 1m5z s SER 39 Cb -0.04 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1m5z s SER 39 CO -0.17 -0.19 0.24 0.68 0.41 0.00 0.00 173.24 174.21 1m5z s VAL 40 N -2.07 2.30 0.13 3.43 -7.23 -1.26 0.14 120.40 115.84 1m5z s VAL 40 Ca 0.45 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1m5z s VAL 40 Cb -0.11 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 1m5z s VAL 40 CO 0.29 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 175.11 1m5z s ALA 41 N -2.59 0.90 0.62 1.32 0.00 0.35 -4.48 121.76 117.87 1m5z s ALA 41 Ca 0.41 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 1m5z s ALA 41 Cb 0.02 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1m5z s ALA 41 CO 0.23 -0.44 1.07 0.34 0.00 0.00 0.00 175.76 176.97 1m5z s ASP 42 N -3.05 5.56 -0.23 0.00 2.15 -1.26 -1.79 116.67 118.05 1m5z s ASP 42 Ca 0.21 1.87 -0.01 0.00 0.43 0.00 0.00 52.55 55.06 1m5z s ASP 42 Cb 0.07 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.22 1m5z s ASP 42 CO 0.00 -1.32 -0.01 -0.83 -0.17 0.00 0.00 175.17 172.84 1m5z s GLY 43 N -2.73 1.09 -0.01 2.66 0.00 0.19 -4.76 107.32 103.76 1m5z s GLY 43 Ca 0.65 -1.18 0.18 0.00 0.00 0.00 0.00 44.72 44.37 1m5z s GLY 43 CO 0.39 1.14 0.59 1.04 0.00 0.00 0.00 173.10 176.26 1m5z n LEU 44 N 4.80 0.50 -0.06 0.66 4.77 -1.26 -1.57 117.00 124.84 1m5z n LEU 44 Ca -0.10 0.22 0.14 0.00 -0.03 0.00 0.00 56.01 56.24 1m5z n LEU 44 Cb 0.45 0.15 0.58 0.00 -2.33 0.00 0.00 43.42 42.27 1m5z n LEU 44 CO 0.16 0.19 0.85 -0.11 -1.33 0.00 0.00 177.39 177.14 1m5z n LEU 45 N -2.73 0.32 -1.00 2.23 7.94 -1.26 -4.02 117.00 118.48 1m5z n LEU 45 Ca -0.14 0.14 -0.02 0.00 -1.11 0.00 0.00 56.01 54.89 1m5z n LEU 45 Cb 0.85 -0.27 -0.03 0.00 0.53 0.00 0.00 43.42 44.50 1m5z n LEU 45 CO 0.43 0.06 0.25 -0.62 -1.11 0.00 0.00 177.39 176.41 1m5z n GLU 46 N -1.19 0.00 -1.99 1.96 1.02 -1.26 -5.07 120.64 114.12 1m5z n GLU 46 Ca 0.12 -1.08 -0.12 0.00 -0.02 0.00 0.00 57.16 56.05 1m5z n GLU 46 Cb 0.29 0.20 0.01 0.00 -0.02 0.00 0.00 31.44 31.92 1m5z n GLU 46 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1m5z n LYS 47 N 0.13 -0.61 0.00 3.49 4.76 -0.61 -4.83 118.16 120.49 1m5z n LYS 47 Ca -0.12 0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1m5z n LYS 47 Cb 0.78 -0.66 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 1m5z n LYS 47 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1m5z n GLY 48 N -0.18 1.27 3.03 0.72 0.00 -0.69 -4.19 105.19 105.14 1m5z n GLY 48 Ca -0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1m5z n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m5z s VAL 49 N -1.23 -0.01 0.36 1.61 1.01 -1.26 0.55 120.40 121.43 1m5z s VAL 49 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1m5z s VAL 49 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1m5z s VAL 49 CO 0.00 0.01 0.11 -0.31 0.00 0.00 0.00 175.10 174.91 1m5z s TYR 50 N 0.26 1.79 -0.15 5.22 2.02 -0.74 -2.23 117.35 123.52 1m5z s TYR 50 Ca -0.01 -1.19 -0.29 0.00 -0.37 0.00 0.00 57.07 55.20 1m5z s TYR 50 Cb -0.03 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.39 1m5z s TYR 50 CO -0.01 -0.24 1.08 0.08 -1.57 0.00 0.00 175.55 174.89 1m5z s VAL 51 N -3.34 4.61 -0.04 0.71 1.01 -1.24 0.13 120.40 122.24 1m5z s VAL 51 Ca 0.30 1.91 0.13 0.00 0.00 0.00 0.00 61.98 64.32 1m5z s VAL 51 Cb 0.05 -4.23 -0.22 0.00 0.00 0.00 0.00 36.38 31.99 1m5z s VAL 51 CO 0.15 -0.08 0.75 0.50 0.00 0.00 0.00 175.10 176.42 1m5z h LYS 52 N 7.41 0.00 -2.72 2.72 1.63 0.94 -3.04 116.57 123.51 1m5z h LYS 52 Ca -0.27 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.48 1m5z h LYS 52 Cb 1.11 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.59 1m5z h LYS 52 CO 0.92 0.52 0.09 -0.80 -3.45 0.00 0.00 179.45 176.73 1m5z s ASN 53 N -6.12 -0.49 -0.03 4.20 0.01 -0.97 -4.97 114.94 106.57 1m5z s ASN 53 Ca -0.04 0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 1m5z s ASN 53 Cb 0.08 0.52 0.02 0.00 0.41 0.00 0.00 41.25 42.29 1m5z s ASN 53 CO 0.82 -0.76 -0.00 -0.63 -1.51 0.00 0.00 177.10 175.02 1m5z s ILE 54 N -2.57 0.17 0.12 0.60 -1.09 -1.26 -0.54 121.20 116.63 1m5z s ILE 54 Ca -0.05 0.07 -0.31 0.00 -2.23 0.00 0.00 60.65 58.14 1m5z s ILE 54 Cb -0.01 -0.26 -0.09 0.00 -1.58 0.00 0.00 42.46 40.53 1m5z s ILE 54 CO -0.03 0.14 1.62 -0.60 -1.23 0.00 0.00 174.94 174.84 1m5z s ARG 55 N 0.93 4.20 0.35 2.79 3.52 0.13 -4.94 118.95 125.93 1m5z s ARG 55 Ca -0.09 2.36 -0.28 0.00 -0.13 0.00 0.00 55.73 57.58 1m5z s ARG 55 Cb -0.13 -3.39 -0.12 0.00 -1.56 0.00 0.00 34.95 29.75 1m5z s ARG 55 CO -0.02 -0.68 1.33 -2.30 -0.81 0.00 0.00 175.30 172.82 1m5z n PRO 56 N 4.83 2.23 -3.10 5.12 -0.02 -1.26 -2.19 135.00 140.61 1m5z n PRO 56 Ca 0.15 0.78 -0.14 0.00 -2.02 0.00 0.00 63.50 62.27 1m5z n PRO 56 Cb 0.39 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1m5z n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m5z n ALA 57 N 0.35 -1.03 -2.56 3.55 0.00 -1.26 -4.88 120.51 114.69 1m5z n ALA 57 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1m5z n ALA 57 Cb 0.37 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1m5z n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m5z n GLY 58 N -0.67 3.93 0.29 0.00 0.00 -0.93 -4.81 105.19 103.00 1m5z n GLY 58 Ca 0.04 -2.06 -0.01 0.00 0.00 0.00 0.00 46.02 43.99 1m5z n GLY 58 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1m5z h PRO 59 N 0.00 0.83 -0.32 1.61 0.11 -1.83 0.55 132.00 132.96 1m5z h PRO 59 Ca 0.00 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 1m5z h PRO 59 Cb 0.00 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1m5z h PRO 59 CO 0.00 0.55 0.02 0.78 -0.21 0.00 0.00 178.00 179.14 1m5z h GLY 60 N 0.86 0.60 1.78 -0.55 0.00 -1.66 -1.40 103.07 102.69 1m5z h GLY 60 Ca 0.32 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 1m5z h GLY 60 CO -0.15 0.39 -0.70 -0.55 0.00 0.00 0.00 176.54 175.53 1m5z h ASP 61 N 0.36 0.25 0.29 0.19 3.32 -1.63 -1.10 116.42 118.11 1m5z h ASP 61 Ca 0.09 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 1m5z h ASP 61 Cb 0.41 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1m5z h ASP 61 CO 0.01 0.87 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.97 1m5z h LEU 62 N 0.15 0.10 0.20 1.55 3.38 0.22 -3.10 115.31 117.81 1m5z h LEU 62 Ca -0.02 -0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.59 1m5z h LEU 62 Cb 1.24 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.99 1m5z h LEU 62 CO 0.11 0.45 -1.52 1.23 0.09 0.00 0.00 178.44 178.80 1m5z h GLY 63 N 1.11 0.49 0.00 0.83 0.00 -1.13 -3.49 103.07 100.89 1m5z h GLY 63 Ca 0.01 -1.26 0.00 0.00 0.00 0.00 0.00 47.33 46.08 1m5z h GLY 63 CO 0.05 1.10 0.00 0.61 0.00 0.00 0.00 176.54 178.30 1m5z n GLY 64 N 1.72 1.85 3.67 4.60 0.00 -0.84 -4.86 105.19 111.32 1m5z n GLY 64 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1m5z n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1m5z s LEU 65 N 0.00 4.17 -0.06 0.99 1.43 -0.48 -5.04 118.68 119.69 1m5z s LEU 65 Ca 0.00 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 1m5z s LEU 65 Cb 0.00 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1m5z s LEU 65 CO 0.00 -0.43 -0.14 -0.54 0.23 0.00 0.00 176.35 175.47 1m5z s LYS 66 N 2.27 2.64 0.20 1.70 -0.14 -1.26 -4.70 119.74 120.45 1m5z s LYS 66 Ca 0.39 -0.68 -0.28 0.00 -1.36 0.00 0.00 55.97 54.04 1m5z s LYS 66 Cb -0.16 -2.43 -0.17 0.00 -1.68 0.00 0.00 37.83 33.39 1m5z s LYS 66 CO 0.12 0.57 0.55 -2.30 -0.76 0.00 0.00 175.35 173.53 1m5z n PRO 67 N 2.47 0.06 0.00 -1.68 -0.02 -1.26 -1.46 135.00 133.11 1m5z n PRO 67 Ca -0.17 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1m5z n PRO 67 Cb 0.52 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1m5z n PRO 67 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1m5z n TYR 68 N 0.03 0.00 -1.51 6.00 4.01 -1.15 -4.75 117.16 119.79 1m5z n TYR 68 Ca 0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1m5z n TYR 68 Cb 0.25 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.18 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1m5z n ASP 69 N 0.00 0.92 -4.65 7.72 5.75 -0.53 -4.47 116.55 121.29 1m5z n ASP 69 Ca 0.00 -1.75 -0.42 0.00 -0.01 0.00 0.00 54.79 52.60 1m5z n ASP 69 Cb 0.00 -1.47 -0.03 0.00 -1.03 0.00 0.00 41.12 38.59 1m5z n ASP 69 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1m5z s ARG 70 N 8.23 4.02 -0.33 0.11 3.52 0.13 -3.70 118.95 130.93 1m5z s ARG 70 Ca 0.85 2.09 -0.29 0.00 -0.13 0.00 0.00 55.73 58.25 1m5z s ARG 70 Cb -0.17 -4.04 -0.01 0.00 -1.56 0.00 0.00 34.95 29.18 1m5z s ARG 70 CO 0.17 -1.04 1.52 -0.51 -0.81 0.00 0.00 175.30 174.62 1m5z s LEU 71 N 4.62 3.69 -0.03 -0.88 1.43 -0.95 -0.65 118.68 125.91 1m5z s LEU 71 Ca 0.76 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 55.02 1m5z s LEU 71 Cb -0.32 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.36 1m5z s LEU 71 CO 0.31 -1.38 -0.02 -0.07 0.23 0.00 0.00 176.35 175.41 1m5z h LEU 72 N 12.13 0.00 -8.02 1.79 4.07 -0.88 -3.32 115.31 121.09 1m5z h LEU 72 Ca -0.30 0.00 -0.68 0.00 0.08 0.00 0.00 57.88 56.98 1m5z h LEU 72 Cb 1.13 0.00 -0.33 0.00 1.08 0.00 0.00 40.66 42.53 1m5z h LEU 72 CO 1.05 0.18 -0.72 -1.10 -1.08 0.00 0.00 178.44 176.77 1m5z s GLN 73 N -1.25 2.44 -0.05 1.13 -0.21 -1.21 0.13 119.66 120.64 1m5z s GLN 73 Ca -0.02 -1.25 -0.03 0.00 0.02 0.00 0.00 55.36 54.08 1m5z s GLN 73 Cb 0.00 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.85 1m5z s GLN 73 CO 0.03 -0.59 0.10 0.08 -2.12 0.00 0.00 175.29 172.79 1m5z s VAL 74 N 1.24 5.01 -0.60 1.09 1.01 0.41 -1.77 120.40 126.79 1m5z s VAL 74 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1m5z s VAL 74 Cb -0.20 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1m5z s VAL 74 CO -0.02 0.47 0.00 -3.20 0.00 0.00 0.00 175.10 172.35 1m5z n ASN 75 N 1.53 -2.60 0.00 3.32 4.05 -0.16 0.12 115.26 121.52 1m5z n ASN 75 Ca -0.16 0.32 0.00 0.00 0.45 0.00 0.00 54.58 55.20 1m5z n ASN 75 Cb 0.53 -2.29 0.00 0.00 1.23 0.00 0.00 39.78 39.26 1m5z n ASN 75 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1m5z n HIS 76 N -2.93 0.00 -2.95 1.20 -0.00 -1.25 -5.01 115.22 104.27 1m5z n HIS 76 Ca -0.08 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.24 1m5z n HIS 76 Cb 0.55 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.49 1m5z n HIS 76 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1m5z s VAL 77 N -1.69 4.60 -0.17 3.57 1.01 0.32 -5.00 120.40 123.04 1m5z s VAL 77 Ca 0.00 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1m5z s VAL 77 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1m5z s VAL 77 CO 0.00 0.40 1.61 -0.13 0.00 0.00 0.00 175.10 176.98 1m5z s ARG 78 N -0.34 3.92 -0.23 2.72 3.00 -1.26 -0.44 118.95 126.31 1m5z s ARG 78 Ca 0.39 1.81 0.22 0.00 0.00 0.00 0.00 55.73 58.15 1m5z s ARG 78 Cb -0.22 -4.01 0.49 0.00 0.00 0.00 0.00 34.95 31.22 1m5z s ARG 78 CO 0.25 -1.15 1.15 0.25 0.00 0.00 0.00 175.30 175.80 1m5z n THR 79 N 6.10 1.03 -0.05 0.02 -2.24 0.35 -4.90 114.28 114.59 1m5z n THR 79 Ca 0.18 -2.55 -0.13 0.00 -2.27 0.00 0.00 64.05 59.28 1m5z n THR 79 Cb 0.45 1.25 -0.07 0.00 -2.10 0.00 0.00 70.33 69.85 1m5z n THR 79 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1m5z h ARG 80 N 2.29 0.32 -0.93 -0.78 1.12 0.70 -3.12 114.38 113.98 1m5z h ARG 80 Ca -0.18 -0.17 -0.29 0.00 -1.11 0.00 0.00 59.98 58.23 1m5z h ARG 80 Cb 1.34 0.01 -0.17 0.00 -0.01 0.00 0.00 29.97 31.14 1m5z h ARG 80 CO 0.14 0.72 0.37 -3.47 -3.11 0.00 0.00 179.97 174.62 1m5z n ASP 81 N -4.58 3.74 -4.33 -3.80 -0.08 -1.26 -4.06 116.55 102.17 1m5z n ASP 81 Ca -0.06 -3.05 -0.29 0.00 -1.51 0.00 0.00 54.79 49.87 1m5z n ASP 81 Cb 0.36 -0.72 0.16 0.00 2.34 0.00 0.00 41.12 43.25 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1m5z s PHE 82 N -2.35 1.88 0.24 -0.67 0.40 -1.18 -4.74 117.98 111.55 1m5z s PHE 82 Ca 0.41 0.35 0.07 0.00 -0.60 0.00 0.00 56.93 57.16 1m5z s PHE 82 Cb 0.34 -3.90 -0.04 0.00 0.51 0.00 0.00 43.02 39.93 1m5z s PHE 82 CO 0.09 -2.39 0.11 0.34 0.70 0.00 0.00 175.22 174.08 1m5z s ASP 83 N -4.81 5.18 0.28 1.36 2.15 -1.26 -4.05 116.67 115.52 1m5z s ASP 83 Ca 0.71 -0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.34 1m5z s ASP 83 Cb -0.05 -1.22 0.60 0.00 -0.30 0.00 0.00 42.92 41.95 1m5z s ASP 83 CO 0.51 -0.00 1.76 0.00 -0.17 0.00 0.00 175.17 177.27 1m5z n LEU 86 N -3.30 1.12 0.09 0.00 4.32 0.21 -4.18 117.00 115.25 1m5z n LEU 86 Ca -0.02 0.10 -0.16 0.00 -0.02 0.00 0.00 56.01 55.91 1m5z n LEU 86 Cb 0.16 -0.05 -0.09 0.00 -1.62 0.00 0.00 43.42 41.82 1m5z n LEU 86 CO 0.25 0.60 0.06 0.58 -1.22 0.00 0.00 177.39 177.66 1m5z h VAL 87 N 0.01 1.42 0.05 4.08 2.07 0.34 -2.55 116.25 121.67 1m5z h VAL 87 Ca -0.48 -2.67 0.01 0.00 0.82 0.00 0.00 66.70 64.39 1m5z h VAL 87 Cb 2.10 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 34.50 1m5z h VAL 87 CO 0.02 0.79 -0.08 0.58 0.02 0.00 0.00 177.57 178.91 1m5z h VAL 88 N 0.18 0.81 -0.49 2.57 2.07 -0.71 -1.75 116.25 118.93 1m5z h VAL 88 Ca -0.12 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1m5z h VAL 88 Cb 1.77 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1m5z h VAL 88 CO 0.19 0.00 -0.11 -0.65 0.02 0.00 0.00 177.57 177.02 1m5z h PRO 89 N -0.16 0.95 -0.72 1.57 0.11 -1.73 -2.28 132.00 129.73 1m5z h PRO 89 Ca 0.02 -0.36 0.14 0.00 0.11 0.00 0.00 66.00 65.91 1m5z h PRO 89 Cb 0.18 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.18 1m5z h PRO 89 CO -0.05 1.02 0.49 -0.07 -0.21 0.00 0.00 178.00 179.18 1m5z h LEU 90 N 0.80 0.36 0.09 2.35 3.38 -1.25 0.63 115.31 121.68 1m5z h LEU 90 Ca 0.13 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 1m5z h LEU 90 Cb 0.67 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.38 1m5z h LEU 90 CO 0.05 0.19 -0.74 0.40 0.09 0.00 0.00 178.44 178.42 1m5z h ILE 91 N 0.39 1.48 -0.00 1.22 2.04 -1.08 -3.29 117.51 118.26 1m5z h ILE 91 Ca 0.35 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.85 1m5z h ILE 91 Cb 0.83 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1m5z h ILE 91 CO -0.11 0.68 -0.02 0.00 0.00 0.00 0.00 178.15 178.70 1m5z n ALA 92 N -2.64 2.62 0.06 1.87 0.00 -0.66 -3.42 120.51 118.35 1m5z n ALA 92 Ca -0.12 -0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.20 1m5z n ALA 92 Cb 0.77 -1.46 0.19 0.00 0.00 0.00 0.00 19.45 18.95 1m5z n ALA 92 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1m5z n GLU 93 N -1.03 2.37 -0.04 0.00 -0.00 0.21 -4.43 120.64 117.72 1m5z n GLU 93 Ca 0.19 -2.13 -0.00 0.00 -0.00 0.00 0.00 57.16 55.21 1m5z n GLU 93 Cb 0.19 -1.41 0.28 0.00 -0.00 0.00 0.00 31.44 30.51 1m5z n GLU 93 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1m5z h SER 94 N 3.41 0.57 0.00 -1.84 0.02 -1.65 -3.47 113.55 110.58 1m5z h SER 94 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1m5z h SER 94 Cb 0.84 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1m5z h SER 94 CO 0.00 0.59 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 1m5z n GLY 95 N -0.95 2.87 0.00 -3.77 0.00 -1.26 -4.27 105.19 97.80 1m5z n GLY 95 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1m5z n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m5z n ASN 96 N 1.29 0.00 -4.17 1.61 3.02 -1.26 -4.82 115.26 110.93 1m5z n ASN 96 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1m5z n ASN 96 Cb 0.00 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.00 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1m5z s LYS 97 N -0.83 2.50 -0.38 3.52 1.02 -1.26 0.16 119.74 124.46 1m5z s LYS 97 Ca 0.00 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.28 1m5z s LYS 97 Cb 0.00 -1.98 0.11 0.00 -0.52 0.00 0.00 37.83 35.44 1m5z s LYS 97 CO 0.00 0.19 0.10 -1.17 -0.92 0.00 0.00 175.35 173.55 1m5z s LEU 98 N 0.29 4.53 -0.30 3.17 0.20 0.46 -4.73 118.68 122.31 1m5z s LEU 98 Ca -0.13 -2.35 -0.15 0.00 0.69 0.00 0.00 54.13 52.19 1m5z s LEU 98 Cb -0.16 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 43.98 1m5z s LEU 98 CO 0.06 -0.34 0.36 -0.62 -0.29 0.00 0.00 176.35 175.52 1m5z s ASP 99 N 0.64 6.21 0.14 3.68 -1.08 -1.26 -1.38 116.67 123.62 1m5z s ASP 99 Ca 0.12 0.10 -0.12 0.00 -0.52 0.00 0.00 52.55 52.13 1m5z s ASP 99 Cb -0.21 -2.20 0.01 0.00 -1.46 0.00 0.00 42.92 39.06 1m5z s ASP 99 CO -0.07 -0.23 0.33 -1.48 0.52 0.00 0.00 175.17 174.24 1m5z s LEU 100 N 2.05 0.80 -0.31 -1.34 0.05 0.19 -0.99 118.68 119.12 1m5z s LEU 100 Ca 0.14 -0.62 -0.02 0.00 0.05 0.00 0.00 54.13 53.68 1m5z s LEU 100 Cb -0.16 1.47 0.05 0.00 -2.05 0.00 0.00 46.19 45.50 1m5z s LEU 100 CO 0.11 -0.87 0.03 -0.69 -0.55 0.00 0.00 176.35 174.37 1m5z s VAL 101 N -3.88 3.08 0.41 1.48 1.01 -0.73 -0.23 120.40 121.54 1m5z s VAL 101 Ca 0.09 -1.42 0.08 0.00 0.00 0.00 0.00 61.98 60.73 1m5z s VAL 101 Cb 0.03 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1m5z s VAL 101 CO -0.06 -0.16 0.44 0.27 0.00 0.00 0.00 175.10 175.59 1m5z s ILE 102 N 1.25 2.90 -0.17 2.22 -5.25 -0.90 -0.27 121.20 120.99 1m5z s ILE 102 Ca -0.04 -1.21 -0.02 0.00 -0.99 0.00 0.00 60.65 58.39 1m5z s ILE 102 Cb -0.20 -3.03 0.05 0.00 2.95 0.00 0.00 42.46 42.23 1m5z s ILE 102 CO -0.01 -0.02 0.02 -0.44 -1.79 0.00 0.00 174.94 172.70 1m5z s SER 103 N -4.20 2.71 -0.04 4.36 0.01 0.18 0.27 113.70 116.99 1m5z s SER 103 Ca 0.50 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 57.09 1m5z s SER 103 Cb -0.06 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.55 1m5z s SER 103 CO 0.30 -0.27 -0.08 0.00 0.41 0.00 0.00 173.24 173.60 1m5z s ARG 104 N 1.83 0.99 0.67 12.44 1.04 -0.34 -0.69 118.95 134.89 1m5z s ARG 104 Ca 0.00 -0.25 -0.17 0.00 -1.04 0.00 0.00 55.73 54.27 1m5z s ARG 104 Cb -0.16 -0.92 0.01 0.00 -2.04 0.00 0.00 34.95 31.84 1m5z s ARG 104 CO -0.07 0.04 1.23 0.54 -0.04 0.00 0.00 175.30 177.00 1m5z s ASN 105 N 0.45 4.57 0.00 -2.89 6.03 -1.22 -0.88 114.94 121.00 1m5z s ASN 105 Ca -0.07 2.43 0.18 0.00 -1.03 0.00 0.00 52.86 54.37 1m5z s ASN 105 Cb -0.11 -2.60 1.09 0.00 -3.03 0.00 0.00 41.25 36.61 1m5z s ASN 105 CO 0.01 -2.01 1.49 -0.81 -2.03 0.00 0.00 177.10 173.74