#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 0.89 -6.75 1.43 0.13 -2.04 -3.44 132.00 122.22 1m5z h PRO 17 Ca 0.00 -0.40 -0.57 0.00 -0.87 0.00 0.00 66.00 64.16 1m5z h PRO 17 Cb 0.00 -0.02 0.14 0.00 0.13 0.00 0.00 31.00 31.25 1m5z h PRO 17 CO 0.00 1.05 0.22 2.41 -0.23 0.00 0.00 178.00 181.45 1m5z n THR 18 N -4.09 2.87 0.00 1.56 -1.04 -1.26 -4.98 114.28 107.34 1m5z n THR 18 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1m5z n THR 18 Cb 0.48 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 1m5z n THR 18 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1m5z n PRO 19 N -0.26 0.24 -0.66 -2.82 -0.02 -1.26 -4.75 135.00 125.49 1m5z n PRO 19 Ca 0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 1m5z n PRO 19 Cb 0.42 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 34.08 1m5z n PRO 19 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1m5z n VAL 20 N -1.66 0.00 -3.86 -1.45 0.24 -1.26 -4.52 118.33 105.82 1m5z n VAL 20 Ca 0.00 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.34 61.78 1m5z n VAL 20 Cb 0.00 -0.71 -0.17 0.00 -1.47 0.00 0.00 33.84 31.49 1m5z n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1m5z s GLU 21 N -3.74 0.66 0.30 7.34 0.41 -0.42 -4.76 118.70 118.50 1m5z s GLU 21 Ca 0.59 0.05 -0.29 0.00 -0.41 0.00 0.00 54.97 54.91 1m5z s GLU 21 Cb -0.17 -0.94 -0.11 0.00 -1.78 0.00 0.00 34.13 31.13 1m5z s GLU 21 CO 0.66 -0.25 1.50 -0.51 -0.49 0.00 0.00 175.26 176.17 1m5z s LEU 22 N 1.71 4.36 -0.08 1.80 1.43 -1.25 -2.16 118.68 124.48 1m5z s LEU 22 Ca 0.01 2.86 -0.03 0.00 -1.03 0.00 0.00 54.13 55.94 1m5z s LEU 22 Cb -0.13 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.50 1m5z s LEU 22 CO -0.04 -0.80 0.14 -1.00 0.23 0.00 0.00 176.35 174.88 1m5z s HIS 23 N -0.35 -0.14 -0.40 0.29 3.76 0.17 -4.97 115.29 113.66 1m5z s HIS 23 Ca 0.58 0.54 -0.29 0.00 -0.15 0.00 0.00 55.06 55.75 1m5z s HIS 23 Cb -0.45 -0.30 0.01 0.00 1.11 0.00 0.00 32.58 32.95 1m5z s HIS 23 CO 0.50 -0.27 1.38 0.21 -0.85 0.00 0.00 174.74 175.72 1m5z s LYS 24 N 2.27 3.64 -0.02 1.40 2.20 -1.26 -2.03 119.74 125.94 1m5z s LYS 24 Ca 0.03 0.97 0.06 0.00 -0.36 0.00 0.00 55.97 56.68 1m5z s LYS 24 Cb -0.12 -4.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.18 1m5z s LYS 24 CO -0.05 -1.48 -0.20 0.14 -0.36 0.00 0.00 175.35 173.40 1m5z s VAL 25 N 5.21 2.60 -0.23 4.02 -7.23 0.98 -4.99 120.40 120.75 1m5z s VAL 25 Ca 0.60 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.78 1m5z s VAL 25 Cb -0.14 -1.99 0.07 0.00 0.56 0.00 0.00 36.38 34.89 1m5z s VAL 25 CO 0.31 0.54 0.05 -0.89 -0.31 0.00 0.00 175.10 174.80 1m5z s THR 26 N -0.72 0.64 0.63 5.32 2.01 -1.26 -0.51 115.64 121.76 1m5z s THR 26 Ca 0.11 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.36 1m5z s THR 26 Cb -0.10 -1.24 0.11 0.00 0.01 0.00 0.00 72.50 71.27 1m5z s THR 26 CO 0.01 -0.36 0.86 -0.76 -0.69 0.00 0.00 174.62 173.68 1m5z s LEU 27 N 1.78 3.01 -0.02 4.42 1.43 -0.77 -4.83 118.68 123.71 1m5z s LEU 27 Ca 0.02 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 1m5z s LEU 27 Cb -0.17 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1m5z s LEU 27 CO -0.14 -1.54 -0.05 -0.31 0.23 0.00 0.00 176.35 174.55 1m5z s TYR 28 N -2.81 0.53 0.35 0.29 2.02 -1.26 -2.02 117.35 114.45 1m5z s TYR 28 Ca 0.64 -0.11 0.06 0.00 -0.37 0.00 0.00 57.07 57.29 1m5z s TYR 28 Cb -0.05 -0.41 -0.01 0.00 -0.40 0.00 0.00 41.96 41.09 1m5z s TYR 28 CO 0.41 -0.07 0.49 0.21 -1.57 0.00 0.00 175.55 175.02 1m5z s LYS 29 N 0.28 3.11 -0.09 -0.62 2.20 0.10 -4.88 119.74 119.85 1m5z s LYS 29 Ca -0.03 -0.96 0.04 0.00 -0.36 0.00 0.00 55.97 54.66 1m5z s LYS 29 Cb -0.07 -2.80 -0.00 0.00 -1.51 0.00 0.00 37.83 33.45 1m5z s LYS 29 CO -0.00 0.03 -0.24 0.34 -0.36 0.00 0.00 175.35 175.12 1m5z s ASP 30 N -4.18 3.12 -0.93 1.43 2.15 -1.26 -4.88 116.67 112.12 1m5z s ASP 30 Ca 0.45 -0.54 -0.25 0.00 0.43 0.00 0.00 52.55 52.64 1m5z s ASP 30 Cb -0.10 -1.30 -0.19 0.00 -0.30 0.00 0.00 42.92 41.03 1m5z s ASP 30 CO 0.32 0.18 2.21 -1.54 -0.17 0.00 0.00 175.17 176.16 1m5z n SER 31 N 3.40 1.34 0.00 -0.34 3.41 -1.26 -1.77 113.62 118.40 1m5z n SER 31 Ca -0.19 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 1m5z n SER 31 Cb 0.53 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1m5z n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m5z n GLY 32 N 6.35 2.26 3.89 5.00 0.00 -1.26 -5.15 105.19 116.29 1m5z n GLY 32 Ca 0.43 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1m5z n GLY 32 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1m5z s MET 33 N 0.00 2.92 -0.11 1.61 -1.94 -0.73 -5.01 119.30 116.05 1m5z s MET 33 Ca 0.00 0.36 0.11 0.00 -1.71 0.00 0.00 55.69 54.45 1m5z s MET 33 Cb 0.00 -2.09 -0.16 0.00 2.01 0.00 0.00 34.83 34.59 1m5z s MET 33 CO 0.00 -0.92 0.08 -1.91 -0.01 0.00 0.00 175.02 172.26 1m5z n GLU 34 N -2.88 1.76 -2.19 2.03 0.00 -1.26 -4.83 120.64 113.27 1m5z n GLU 34 Ca 0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 57.16 56.93 1m5z n GLU 34 Cb 0.57 -1.31 0.06 0.00 0.00 0.00 0.00 31.44 30.76 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1m5z s ASP 35 N -4.36 4.96 -0.21 4.31 1.01 -1.26 -4.74 116.67 116.38 1m5z s ASP 35 Ca -0.06 0.57 0.11 0.00 0.71 0.00 0.00 52.55 53.88 1m5z s ASP 35 Cb 0.04 -1.27 0.42 0.00 1.01 0.00 0.00 42.92 43.12 1m5z s ASP 35 CO 0.51 -1.51 1.24 0.33 0.21 0.00 0.00 175.17 175.95 1m5z n PHE 36 N -2.90 0.13 -0.40 4.23 -0.00 -1.26 -4.81 117.46 112.46 1m5z n PHE 36 Ca 0.07 -1.47 0.00 0.00 -0.00 0.00 0.00 57.45 56.05 1m5z n PHE 36 Cb 0.60 -0.27 0.00 0.00 -0.00 0.00 0.00 39.48 39.81 1m5z n PHE 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1m5z n GLY 37 N -1.14 0.74 3.64 7.13 0.00 -1.26 -4.09 105.19 110.21 1m5z n GLY 37 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.46 -0.24 0.03 1.61 -0.12 -1.26 0.05 117.98 115.60 1m5z s PHE 38 Ca 0.00 0.56 -0.02 0.00 -0.05 0.00 0.00 56.93 57.42 1m5z s PHE 38 Cb 0.00 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1m5z s PHE 38 CO 0.00 -0.11 0.20 -1.12 -0.05 0.00 0.00 175.22 174.14 1m5z s SER 39 N 0.26 6.37 0.31 1.98 0.01 0.16 -4.95 113.70 117.85 1m5z s SER 39 Ca 0.04 0.32 0.09 0.00 1.31 0.00 0.00 55.95 57.71 1m5z s SER 39 Cb -0.05 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1m5z s SER 39 CO -0.12 0.21 0.10 0.68 0.41 0.00 0.00 173.24 174.52 1m5z s VAL 40 N -1.42 3.21 0.28 3.43 -7.23 -1.26 0.18 120.40 117.59 1m5z s VAL 40 Ca 0.31 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1m5z s VAL 40 Cb -0.13 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 1m5z s VAL 40 CO 0.23 -0.25 0.13 0.00 -0.31 0.00 0.00 175.10 174.90 1m5z s ALA 41 N -2.38 1.85 0.61 1.32 0.00 0.20 -4.66 121.76 118.69 1m5z s ALA 41 Ca 0.36 -1.79 -0.08 0.00 0.00 0.00 0.00 51.96 50.45 1m5z s ALA 41 Cb -0.04 1.10 -0.00 0.00 0.00 0.00 0.00 23.12 24.18 1m5z s ALA 41 CO 0.22 -0.48 0.95 -0.51 0.00 0.00 0.00 175.76 175.94 1m5z s ASP 42 N -3.34 5.70 -0.23 0.00 1.11 -1.26 -2.02 116.67 116.63 1m5z s ASP 42 Ca 0.36 0.92 -0.07 0.00 0.18 0.00 0.00 52.55 53.94 1m5z s ASP 42 Cb 0.06 -1.91 -0.03 0.00 1.07 0.00 0.00 42.92 42.12 1m5z s ASP 42 CO 0.15 -1.05 0.05 -0.83 1.18 0.00 0.00 175.17 174.67 1m5z s GLY 43 N -4.28 1.76 0.00 0.21 0.00 0.29 -4.79 107.32 100.51 1m5z s GLY 43 Ca 0.54 -1.06 0.20 0.00 0.00 0.00 0.00 44.72 44.40 1m5z s GLY 43 CO 0.48 0.42 1.45 1.04 0.00 0.00 0.00 173.10 176.48 1m5z n LEU 44 N 4.64 2.66 0.00 0.66 4.77 -1.26 -4.18 117.00 124.29 1m5z n LEU 44 Ca -0.16 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 1m5z n LEU 44 Cb 0.52 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1m5z n LEU 44 CO 0.31 0.60 0.00 0.18 -1.33 0.00 0.00 177.39 177.15 1m5z n LEU 45 N 0.97 0.00 -1.03 2.23 4.77 -1.26 -4.90 117.00 117.78 1m5z n LEU 45 Ca 0.18 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.19 1m5z n LEU 45 Cb 0.47 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.73 1m5z n LEU 45 CO 0.14 0.00 0.55 -0.62 -1.33 0.00 0.00 177.39 176.12 1m5z n GLU 46 N -1.38 2.56 -2.10 3.23 -0.58 -1.26 -4.96 120.64 116.15 1m5z n GLU 46 Ca 0.00 -1.37 -0.15 0.00 -0.42 0.00 0.00 57.16 55.23 1m5z n GLU 46 Cb 0.00 -1.74 0.01 0.00 -0.57 0.00 0.00 31.44 29.15 1m5z n GLU 46 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1m5z n LYS 47 N 0.31 -0.73 -3.40 3.49 4.76 -1.26 -4.84 118.16 116.50 1m5z n LYS 47 Ca 0.12 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 1m5z n LYS 47 Cb 0.60 -0.78 0.00 0.00 -1.84 0.00 0.00 35.03 33.01 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 -0.80 3.08 0.72 0.00 -1.26 -4.48 105.19 102.27 1m5z n GLY 48 Ca -0.05 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.00 1.02 0.17 1.61 1.01 -1.23 0.11 120.40 120.09 1m5z s VAL 49 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1m5z s VAL 49 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1m5z s VAL 49 CO 0.00 0.29 0.04 -0.31 0.00 0.00 0.00 175.10 175.12 1m5z s TYR 50 N -0.20 1.15 -0.10 5.22 2.02 -0.85 -2.57 117.35 122.01 1m5z s TYR 50 Ca 0.03 -1.12 -0.30 0.00 -0.37 0.00 0.00 57.07 55.32 1m5z s TYR 50 Cb -0.06 -0.65 -0.03 0.00 -0.40 0.00 0.00 41.96 40.81 1m5z s TYR 50 CO -0.00 -0.34 1.38 0.08 -1.57 0.00 0.00 175.55 175.11 1m5z s VAL 51 N -3.80 4.01 -0.01 0.71 1.01 -0.07 0.58 120.40 122.82 1m5z s VAL 51 Ca 0.26 1.26 0.09 0.00 0.00 0.00 0.00 61.98 63.59 1m5z s VAL 51 Cb 0.07 -3.81 -0.23 0.00 0.00 0.00 0.00 36.38 32.41 1m5z s VAL 51 CO 0.05 -0.09 0.79 0.50 0.00 0.00 0.00 175.10 176.36 1m5z h LYS 52 N 8.45 0.04 -2.43 2.72 1.63 0.17 -1.73 116.57 125.42 1m5z h LYS 52 Ca -0.32 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.36 1m5z h LYS 52 Cb 1.14 0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 32.62 1m5z h LYS 52 CO 0.95 0.69 0.11 -0.80 -3.45 0.00 0.00 179.45 176.95 1m5z s ASN 53 N -6.35 -0.55 0.00 4.20 0.01 -0.96 -4.90 114.94 106.39 1m5z s ASN 53 Ca -0.05 0.42 0.03 0.00 -0.71 0.00 0.00 52.86 52.55 1m5z s ASN 53 Cb 0.08 0.52 -0.01 0.00 0.41 0.00 0.00 41.25 42.25 1m5z s ASN 53 CO 0.82 -0.67 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.02 1m5z s ILE 54 N -1.89 0.72 -0.10 0.60 1.01 -1.26 0.36 121.20 120.64 1m5z s ILE 54 Ca -0.08 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 1m5z s ILE 54 Cb -0.01 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 1m5z s ILE 54 CO 0.03 0.12 1.80 -0.60 0.00 0.00 0.00 174.94 176.29 1m5z s ARG 55 N -0.43 3.92 0.21 2.79 6.06 0.11 -4.92 118.95 126.68 1m5z s ARG 55 Ca 0.02 2.12 -0.32 0.00 -2.50 0.00 0.00 55.73 55.05 1m5z s ARG 55 Cb -0.04 -4.10 -0.14 0.00 0.06 0.00 0.00 34.95 30.73 1m5z s ARG 55 CO -0.00 -1.17 1.34 -2.30 -2.50 0.00 0.00 175.30 170.67 1m5z n PRO 56 N 7.60 1.75 -2.73 5.12 -0.02 -1.26 -1.47 135.00 143.99 1m5z n PRO 56 Ca 0.20 0.62 -0.08 0.00 -2.02 0.00 0.00 63.50 62.23 1m5z n PRO 56 Cb 0.43 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 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 1.90 -0.98 -2.56 3.55 0.00 -1.26 -4.89 120.51 116.27 1m5z n ALA 57 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1m5z n ALA 57 Cb 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.65 4.56 0.38 0.00 0.00 -0.54 -4.80 105.19 104.14 1m5z n GLY 58 Ca -0.02 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 1m5z n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m5z h PRO 59 N 0.00 -0.56 -0.66 1.61 0.13 -1.88 0.69 132.00 131.33 1m5z h PRO 59 Ca 0.00 0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.25 1m5z h PRO 59 Cb 0.00 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 31.22 1m5z h PRO 59 CO 0.00 -0.37 0.44 0.78 -0.23 0.00 0.00 178.00 178.62 1m5z h GLY 60 N -0.58 0.78 1.77 1.56 0.00 -1.71 -0.07 103.07 104.82 1m5z h GLY 60 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 1m5z h GLY 60 CO -0.25 0.16 -0.69 -1.80 0.00 0.00 0.00 176.54 173.96 1m5z h ASP 61 N 0.58 0.27 0.83 0.19 3.58 -1.44 -2.52 116.42 117.91 1m5z h ASP 61 Ca 0.30 -0.17 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 1m5z h ASP 61 Cb 0.40 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1m5z h ASP 61 CO -0.09 0.87 -0.49 -0.07 -2.88 0.00 0.00 179.24 176.58 1m5z h LEU 62 N 0.16 0.00 0.04 2.28 3.38 0.19 -3.28 115.31 118.07 1m5z h LEU 62 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1m5z h LEU 62 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1m5z h LEU 62 CO 0.11 0.49 -0.02 1.23 0.09 0.00 0.00 178.44 180.34 1m5z h GLY 63 N 2.15 -0.05 0.00 0.83 0.00 -0.91 -3.49 103.07 101.61 1m5z h GLY 63 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1m5z h GLY 63 CO 0.06 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1m5z n GLY 64 N 1.01 0.51 3.68 4.60 0.00 -0.97 -4.88 105.19 109.15 1m5z n GLY 64 Ca -0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 1m5z n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m5z n LEU 65 N 0.00 3.41 -4.65 0.99 4.32 -1.16 -4.99 117.00 114.92 1m5z n LEU 65 Ca 0.00 1.06 -0.25 0.00 -0.02 0.00 0.00 56.01 56.80 1m5z n LEU 65 Cb 0.00 -1.47 -0.09 0.00 -1.62 0.00 0.00 43.42 40.24 1m5z n LEU 65 CO 0.00 -0.12 -0.27 -0.54 -1.22 0.00 0.00 177.39 175.24 1m5z s LYS 66 N 1.36 2.07 0.25 3.23 1.02 -1.26 -4.73 119.74 121.68 1m5z s LYS 66 Ca 0.79 -1.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 1m5z s LYS 66 Cb -0.62 -1.87 -0.14 0.00 -0.52 0.00 0.00 37.83 34.68 1m5z s LYS 66 CO 0.37 0.03 1.16 -2.30 -0.92 0.00 0.00 175.35 173.69 1m5z n PRO 67 N -1.02 1.49 -0.75 -1.68 -0.02 -1.26 -1.53 135.00 130.24 1m5z n PRO 67 Ca -0.04 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1m5z n PRO 67 Cb 0.64 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.94 0.00 -1.53 6.00 4.01 -0.65 -4.90 117.16 121.04 1m5z n TYR 68 Ca 0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 1m5z n TYR 68 Cb 0.30 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.20 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1m5z n ASP 69 N 0.00 0.57 -4.55 7.72 9.92 -0.58 -4.45 116.55 125.17 1m5z n ASP 69 Ca 0.00 -1.17 -0.39 0.00 -0.53 0.00 0.00 54.79 52.70 1m5z n ASP 69 Cb 0.00 -1.24 -0.03 0.00 -0.64 0.00 0.00 41.12 39.20 1m5z n ASP 69 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1m5z s ARG 70 N 8.19 3.20 -0.39 -1.24 3.52 -0.89 -0.89 118.95 130.45 1m5z s ARG 70 Ca 1.06 -0.45 -0.31 0.00 -0.13 0.00 0.00 55.73 55.90 1m5z s ARG 70 Cb -0.39 -4.70 -0.09 0.00 -1.56 0.00 0.00 34.95 28.21 1m5z s ARG 70 CO 0.26 -2.35 2.29 1.28 -0.81 0.00 0.00 175.30 175.97 1m5z n LEU 71 N 10.03 2.39 -0.04 -0.88 4.32 -1.06 -1.62 117.00 130.14 1m5z n LEU 71 Ca 0.19 0.12 -0.01 0.00 -0.02 0.00 0.00 56.01 56.28 1m5z n LEU 71 Cb 0.50 -1.40 -0.00 0.00 -1.62 0.00 0.00 43.42 40.89 1m5z n LEU 71 CO 0.68 -0.91 -0.09 -0.07 -1.22 0.00 0.00 177.39 175.77 1m5z h LEU 72 N 14.87 0.00 -8.00 2.23 3.38 -1.01 -3.27 115.31 123.51 1m5z h LEU 72 Ca -0.29 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.02 1m5z h LEU 72 Cb 1.28 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.68 1m5z h LEU 72 CO 1.06 0.42 -0.84 -1.10 0.09 0.00 0.00 178.44 178.06 1m5z s GLN 73 N -1.57 2.74 -0.35 1.13 -0.21 -0.84 0.13 119.66 120.69 1m5z s GLN 73 Ca -0.04 -0.93 -0.08 0.00 0.02 0.00 0.00 55.36 54.34 1m5z s GLN 73 Cb 0.01 -2.60 0.04 0.00 1.00 0.00 0.00 33.01 31.45 1m5z s GLN 73 CO 0.06 -0.30 0.14 0.08 -2.12 0.00 0.00 175.29 173.15 1m5z s VAL 74 N 1.27 4.00 -1.29 1.09 1.01 0.11 0.01 120.40 126.59 1m5z s VAL 74 Ca 0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1m5z s VAL 74 Cb -0.15 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1m5z s VAL 74 CO -0.11 -0.22 0.34 0.59 0.00 0.00 0.00 175.10 175.70 1m5z n ASN 75 N 4.86 -5.11 0.00 3.32 3.02 0.14 -1.92 115.26 119.57 1m5z n ASN 75 Ca -0.12 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1m5z n ASN 75 Cb 0.45 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1m5z n ASN 75 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1m5z n HIS 76 N -4.18 0.00 -2.90 3.10 -0.00 -1.26 -5.03 115.22 104.95 1m5z n HIS 76 Ca -0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.19 1m5z n HIS 76 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.56 1m5z n HIS 76 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1m5z s VAL 77 N -2.08 4.96 -0.94 3.57 0.11 -0.81 -4.97 120.40 120.25 1m5z s VAL 77 Ca 0.00 1.71 -0.24 0.00 -2.93 0.00 0.00 61.98 60.52 1m5z s VAL 77 Cb 0.00 -4.16 -0.04 0.00 -1.53 0.00 0.00 36.38 30.65 1m5z s VAL 77 CO 0.00 0.21 1.90 -0.13 -3.33 0.00 0.00 175.10 173.75 1m5z s ARG 78 N 0.87 2.66 -0.31 1.54 0.52 -1.26 0.09 118.95 123.06 1m5z s ARG 78 Ca 0.44 -0.44 0.06 0.00 -0.52 0.00 0.00 55.73 55.27 1m5z s ARG 78 Cb -0.19 -5.11 0.61 0.00 0.52 0.00 0.00 34.95 30.78 1m5z s ARG 78 CO 0.22 -3.30 1.69 0.25 0.02 0.00 0.00 175.30 174.18 1m5z n THR 79 N 7.77 2.66 0.15 0.02 -2.24 0.35 -4.52 114.28 118.48 1m5z n THR 79 Ca 0.40 -1.45 -0.14 0.00 -2.27 0.00 0.00 64.05 60.59 1m5z n THR 79 Cb 0.47 -0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 68.16 1m5z n THR 79 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1m5z h ARG 80 N 1.79 -0.33 -0.84 -0.78 3.08 -0.36 -2.92 114.38 114.02 1m5z h ARG 80 Ca 0.34 0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.26 1m5z h ARG 80 Cb 2.27 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 32.31 1m5z h ARG 80 CO 0.74 -0.11 0.18 -3.47 -1.07 0.00 0.00 179.97 176.25 1m5z n ASP 81 N -5.17 3.91 -4.90 7.04 2.03 -1.26 -4.06 116.55 114.14 1m5z n ASP 81 Ca -0.10 -2.81 -0.29 0.00 0.52 0.00 0.00 54.79 52.11 1m5z n ASP 81 Cb 0.21 -0.67 0.06 0.00 -0.72 0.00 0.00 41.12 40.00 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1m5z s PHE 82 N -2.19 3.18 0.27 -0.67 0.40 -1.10 -4.82 117.98 113.04 1m5z s PHE 82 Ca 0.37 0.83 0.07 0.00 -0.60 0.00 0.00 56.93 57.61 1m5z s PHE 82 Cb 0.30 -3.12 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 1m5z s PHE 82 CO 0.09 -1.28 0.21 -0.51 0.70 0.00 0.00 175.22 174.43 1m5z s ASP 83 N -4.42 5.46 0.27 1.36 1.01 -1.26 -3.50 116.67 115.59 1m5z s ASP 83 Ca 0.58 -0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.55 1m5z s ASP 83 Cb -0.11 -1.31 0.59 0.00 1.01 0.00 0.00 42.92 43.10 1m5z s ASP 83 CO 0.49 -0.09 1.76 0.00 0.21 0.00 0.00 175.17 177.54 1m5z n LEU 86 N -3.39 1.19 0.09 0.00 4.32 0.18 -4.13 117.00 115.25 1m5z n LEU 86 Ca -0.02 0.20 -0.17 0.00 -0.02 0.00 0.00 56.01 56.00 1m5z n LEU 86 Cb 0.16 -0.09 -0.10 0.00 -1.62 0.00 0.00 43.42 41.77 1m5z n LEU 86 CO 0.26 0.57 0.05 0.58 -1.22 0.00 0.00 177.39 177.62 1m5z h VAL 87 N 0.01 1.39 -0.05 4.08 2.07 0.08 -2.56 116.25 121.29 1m5z h VAL 87 Ca -0.42 -2.62 0.03 0.00 0.82 0.00 0.00 66.70 64.52 1m5z h VAL 87 Cb 2.07 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 34.45 1m5z h VAL 87 CO 0.05 0.78 -0.16 0.58 0.02 0.00 0.00 177.57 178.84 1m5z h VAL 88 N 0.20 0.61 -0.20 2.57 2.07 -0.61 -0.07 116.25 120.83 1m5z h VAL 88 Ca -0.13 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1m5z h VAL 88 Cb 1.79 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1m5z h VAL 88 CO 0.20 0.00 -0.10 1.55 0.02 0.00 0.00 177.57 179.24 1m5z h PRO 89 N -0.23 0.42 -0.56 1.57 0.13 -1.72 -2.30 132.00 129.31 1m5z h PRO 89 Ca 0.07 -0.19 0.15 0.00 -0.87 0.00 0.00 66.00 65.16 1m5z h PRO 89 Cb 0.32 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.42 1m5z h PRO 89 CO -0.18 0.71 0.39 -0.07 -0.23 0.00 0.00 178.00 178.63 1m5z h LEU 90 N 0.11 0.07 0.00 1.56 3.38 -1.29 0.60 115.31 119.75 1m5z h LEU 90 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1m5z h LEU 90 Cb 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1m5z h LEU 90 CO 0.03 0.04 -0.18 0.40 0.09 0.00 0.00 178.44 178.82 1m5z h ILE 91 N 0.07 1.59 0.00 1.22 2.04 -0.83 -3.22 117.51 118.38 1m5z h ILE 91 Ca 0.27 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1m5z h ILE 91 Cb 0.96 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 1m5z h ILE 91 CO -0.02 0.53 0.00 0.00 0.00 0.00 0.00 178.15 178.66 1m5z n ALA 92 N -2.53 2.44 1.19 1.87 0.00 -0.59 -3.02 120.51 119.87 1m5z n ALA 92 Ca -0.10 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1m5z n ALA 92 Cb 0.48 -1.45 0.28 0.00 0.00 0.00 0.00 19.45 18.76 1m5z n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1m5z n GLU 93 N -1.15 1.02 0.23 0.00 1.02 0.20 -4.10 120.64 117.85 1m5z n GLU 93 Ca 0.17 -0.68 0.06 0.00 -0.02 0.00 0.00 57.16 56.68 1m5z n GLU 93 Cb 0.16 -1.49 0.52 0.00 -0.02 0.00 0.00 31.44 30.61 1m5z n GLU 93 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1m5z h SER 94 N 1.67 0.00 0.00 1.62 0.02 -1.63 -3.46 113.55 111.77 1m5z h SER 94 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1m5z h SER 94 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1m5z h SER 94 CO 0.00 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 1m5z n GLY 95 N -1.03 2.26 0.18 -3.77 0.00 -1.26 -4.11 105.19 97.47 1m5z n GLY 95 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.58 0.00 -4.37 1.61 3.02 -1.26 -4.89 115.26 110.95 1m5z n ASN 96 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1m5z n ASN 96 Cb 0.00 0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.13 3.42 -0.43 3.52 1.02 -1.26 0.03 119.74 124.90 1m5z s LYS 97 Ca 0.00 -0.65 -0.00 0.00 0.02 0.00 0.00 55.97 55.34 1m5z s LYS 97 Cb 0.00 -2.78 0.12 0.00 -0.52 0.00 0.00 37.83 34.65 1m5z s LYS 97 CO 0.00 0.09 0.20 -1.17 -0.92 0.00 0.00 175.35 173.55 1m5z s LEU 98 N 0.69 5.00 -0.30 3.17 0.20 -0.86 -4.71 118.68 121.88 1m5z s LEU 98 Ca -0.05 -2.30 -0.17 0.00 0.69 0.00 0.00 54.13 52.30 1m5z s LEU 98 Cb -0.15 -1.75 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 1m5z s LEU 98 CO 0.02 -0.43 0.45 -1.81 -0.29 0.00 0.00 176.35 174.29 1m5z s ASP 99 N 1.15 6.32 0.06 3.68 1.11 -1.26 -1.84 116.67 125.88 1m5z s ASP 99 Ca 0.11 0.22 -0.11 0.00 0.18 0.00 0.00 52.55 52.95 1m5z s ASP 99 Cb -0.22 -2.25 0.01 0.00 1.07 0.00 0.00 42.92 41.54 1m5z s ASP 99 CO -0.05 -0.31 0.25 -1.48 1.18 0.00 0.00 175.17 174.76 1m5z s LEU 100 N 2.23 1.11 -0.31 1.23 0.05 0.33 0.29 118.68 123.61 1m5z s LEU 100 Ca 0.18 -0.36 -0.02 0.00 0.05 0.00 0.00 54.13 53.98 1m5z s LEU 100 Cb -0.16 1.20 0.05 0.00 -2.05 0.00 0.00 46.19 45.24 1m5z s LEU 100 CO 0.11 -0.64 0.02 -0.69 -0.55 0.00 0.00 176.35 174.60 1m5z s VAL 101 N -2.96 3.05 0.34 1.48 1.01 0.10 -0.01 120.40 123.42 1m5z s VAL 101 Ca -0.02 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 60.60 1m5z s VAL 101 Cb 0.01 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 1m5z s VAL 101 CO -0.06 -0.16 0.34 0.27 0.00 0.00 0.00 175.10 175.48 1m5z s ILE 102 N 1.25 3.56 -0.09 2.22 -5.25 -0.86 -0.45 121.20 121.57 1m5z s ILE 102 Ca -0.04 -1.29 0.02 0.00 -0.99 0.00 0.00 60.65 58.35 1m5z s ILE 102 Cb -0.20 -3.21 0.01 0.00 2.95 0.00 0.00 42.46 42.02 1m5z s ILE 102 CO -0.01 -0.15 -0.14 -0.94 -1.79 0.00 0.00 174.94 171.91 1m5z s SER 103 N -4.05 2.19 -0.17 4.36 1.04 -0.64 0.42 113.70 116.86 1m5z s SER 103 Ca 0.42 -0.37 -0.15 0.00 0.48 0.00 0.00 55.95 56.34 1m5z s SER 103 Cb -0.06 -0.98 0.05 0.00 0.10 0.00 0.00 66.02 65.13 1m5z s SER 103 CO 0.28 0.01 0.44 0.00 0.98 0.00 0.00 173.24 174.95 1m5z s ARG 104 N 0.94 0.50 0.72 4.02 1.04 -0.92 -2.10 118.95 123.16 1m5z s ARG 104 Ca -0.08 0.64 -0.15 0.00 -1.04 0.00 0.00 55.73 55.10 1m5z s ARG 104 Cb -0.15 0.22 0.04 0.00 -2.04 0.00 0.00 34.95 33.01 1m5z s ARG 104 CO -0.00 -0.07 1.20 -0.80 -0.04 0.00 0.00 175.30 175.59 1m5z s ASN 105 N 0.38 4.27 0.00 -2.89 -0.87 -1.26 -1.30 114.94 113.26 1m5z s ASN 105 Ca -0.01 2.33 0.30 0.00 -1.57 0.00 0.00 52.86 53.91 1m5z s ASN 105 Cb -0.04 -2.59 1.81 0.00 -0.02 0.00 0.00 41.25 40.42 1m5z s ASN 105 CO -0.01 -2.21 2.14 -0.81 -2.57 0.00 0.00 177.10 173.64