#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 0.18 0.00 1.43 0.13 -1.90 -2.74 132.00 129.11 1m5z h PRO 17 Ca 0.00 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1m5z h PRO 17 Cb 0.00 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 1m5z h PRO 17 CO 0.00 0.12 -0.49 1.15 -0.23 0.00 0.00 178.00 178.55 1m5z h THR 18 N 0.19 0.39 -0.97 1.56 2.02 -2.00 -3.43 112.91 110.67 1m5z h THR 18 Ca 0.74 -1.40 -0.41 0.00 0.77 0.00 0.00 66.41 66.11 1m5z h THR 18 Cb 1.74 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 68.94 1m5z h THR 18 CO -0.69 0.13 1.02 -2.84 0.37 0.00 0.00 175.52 173.52 1m5z s PRO 19 N -2.10 2.91 1.07 6.66 0.02 -1.03 -4.85 135.00 137.68 1m5z s PRO 19 Ca -0.15 -0.50 -0.22 0.00 0.02 0.00 0.00 61.00 60.15 1m5z s PRO 19 Cb 0.02 -5.09 -0.02 0.00 0.02 0.00 0.00 34.50 29.43 1m5z s PRO 19 CO 0.30 -2.93 -0.66 1.33 -0.33 0.00 0.00 177.00 174.71 1m5z n VAL 20 N 7.48 0.00 -4.04 3.83 0.24 -1.26 -2.51 118.33 122.07 1m5z n VAL 20 Ca 0.35 -0.17 -0.26 0.00 -2.04 0.00 0.00 64.34 62.23 1m5z n VAL 20 Cb 0.49 -0.34 -0.17 0.00 -1.47 0.00 0.00 33.84 32.34 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 -2.83 1.53 0.66 7.34 2.02 -0.56 -4.75 118.70 122.11 1m5z s GLU 21 Ca 0.47 -0.28 -0.18 0.00 0.02 0.00 0.00 54.97 55.01 1m5z s GLU 21 Cb -0.02 -1.53 -0.00 0.00 0.10 0.00 0.00 34.13 32.68 1m5z s GLU 21 CO 0.65 -0.21 1.27 -0.51 0.02 0.00 0.00 175.26 176.49 1m5z s LEU 22 N 1.49 3.54 -0.28 1.80 1.43 -1.26 -2.06 118.68 123.34 1m5z s LEU 22 Ca 0.01 2.57 -0.02 0.00 -1.03 0.00 0.00 54.13 55.65 1m5z s LEU 22 Cb -0.13 -4.61 0.17 0.00 0.03 0.00 0.00 46.19 41.64 1m5z s LEU 22 CO -0.06 -2.02 0.52 -1.00 0.23 0.00 0.00 176.35 174.02 1m5z s HIS 23 N -1.50 -1.30 -0.28 0.29 3.76 0.14 -4.92 115.29 111.47 1m5z s HIS 23 Ca 0.81 1.42 -0.29 0.00 -0.15 0.00 0.00 55.06 56.85 1m5z s HIS 23 Cb -0.36 0.37 -0.01 0.00 1.11 0.00 0.00 32.58 33.69 1m5z s HIS 23 CO 0.40 -0.81 1.55 0.15 -0.85 0.00 0.00 174.74 175.18 1m5z s LYS 24 N 2.74 3.72 -0.02 1.40 1.02 -1.26 -2.19 119.74 125.15 1m5z s LYS 24 Ca 0.17 1.45 0.08 0.00 0.02 0.00 0.00 55.97 57.68 1m5z s LYS 24 Cb -0.15 -4.03 -0.02 0.00 -0.52 0.00 0.00 37.83 33.11 1m5z s LYS 24 CO -0.19 -1.37 -0.25 0.08 -0.92 0.00 0.00 175.35 172.70 1m5z s VAL 25 N 5.30 2.14 -0.23 3.17 1.01 0.56 -4.96 120.40 127.39 1m5z s VAL 25 Ca 0.68 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1m5z s VAL 25 Cb -0.21 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.49 1m5z s VAL 25 CO 0.29 0.57 0.06 -0.89 0.00 0.00 0.00 175.10 175.13 1m5z s THR 26 N -0.63 0.57 0.48 3.92 2.01 -1.25 -0.19 115.64 120.54 1m5z s THR 26 Ca 0.10 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.39 1m5z s THR 26 Cb -0.10 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.25 1m5z s THR 26 CO -0.01 -0.37 0.57 -0.76 -0.69 0.00 0.00 174.62 173.36 1m5z s LEU 27 N 1.82 3.32 -0.07 4.42 1.43 -0.17 -4.71 118.68 124.71 1m5z s LEU 27 Ca 0.02 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1m5z s LEU 27 Cb -0.17 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.04 1m5z s LEU 27 CO -0.15 -0.95 -0.02 -0.31 0.23 0.00 0.00 176.35 175.16 1m5z s TYR 28 N -2.52 0.77 0.11 0.29 2.02 -1.26 -1.32 117.35 115.43 1m5z s TYR 28 Ca 0.53 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 1m5z s TYR 28 Cb -0.06 -0.82 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 1m5z s TYR 28 CO 0.32 -0.32 0.13 0.21 -1.57 0.00 0.00 175.55 174.32 1m5z s LYS 29 N 1.74 3.02 0.26 -0.62 2.20 -0.38 -4.79 119.74 121.16 1m5z s LYS 29 Ca 0.02 -0.70 0.12 0.00 -0.36 0.00 0.00 55.97 55.04 1m5z s LYS 29 Cb -0.13 -2.77 -0.05 0.00 -1.51 0.00 0.00 37.83 33.38 1m5z s LYS 29 CO -0.05 0.54 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.78 1m5z s ASP 30 N -2.71 3.61 0.55 1.43 1.01 -1.26 -4.76 116.67 114.54 1m5z s ASP 30 Ca 0.31 -0.97 0.24 0.00 0.71 0.00 0.00 52.55 52.83 1m5z s ASP 30 Cb -0.11 -0.32 1.50 0.00 1.01 0.00 0.00 42.92 45.00 1m5z s ASP 30 CO 0.24 0.06 2.13 0.77 0.21 0.00 0.00 175.17 178.58 1m5z h SER 31 N 2.45 0.00 1.29 0.27 4.64 -1.99 -0.94 113.55 119.27 1m5z h SER 31 Ca -0.42 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.79 1m5z h SER 31 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1m5z h SER 31 CO 0.57 0.00 -0.74 1.23 -0.87 0.00 0.00 176.83 177.02 1m5z h GLY 32 N 0.00 0.00 -4.36 -0.77 0.00 -1.99 -3.45 103.07 92.49 1m5z h GLY 32 Ca 0.07 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.86 1m5z h GLY 32 CO -0.00 0.00 0.30 1.06 0.00 0.00 0.00 176.54 177.90 1m5z s MET 33 N -2.98 4.59 0.04 4.80 -1.94 -0.36 -4.93 119.30 118.51 1m5z s MET 33 Ca 0.02 1.32 0.27 0.00 -1.71 0.00 0.00 55.69 55.59 1m5z s MET 33 Cb 0.08 -3.41 1.10 0.00 2.01 0.00 0.00 34.83 34.62 1m5z s MET 33 CO 0.76 0.13 1.85 0.39 -0.01 0.00 0.00 175.02 178.14 1m5z n GLU 34 N 3.24 0.04 -1.06 2.03 1.02 -1.26 -4.64 120.64 120.01 1m5z n GLU 34 Ca 0.02 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1m5z n GLU 34 Cb 0.50 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1m5z n ASP 35 N -1.63 0.00 -2.04 1.62 5.75 -1.26 -5.03 116.55 113.96 1m5z n ASP 35 Ca 0.06 -0.88 -0.20 0.00 -0.01 0.00 0.00 54.79 53.76 1m5z n ASP 35 Cb 0.33 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.58 1m5z n ASP 35 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1m5z n PHE 36 N 0.00 2.60 -1.56 2.11 3.72 -1.26 -4.66 117.46 118.41 1m5z n PHE 36 Ca 0.00 -1.62 -0.04 0.00 -0.05 0.00 0.00 57.45 55.74 1m5z n PHE 36 Cb 0.00 -0.83 -0.01 0.00 -0.94 0.00 0.00 39.48 37.70 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 -0.86 0.47 3.25 1.37 0.00 -1.26 -2.87 105.19 105.29 1m5z n GLY 37 Ca 0.50 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.18 -0.39 0.20 1.61 -0.71 -1.26 0.31 117.98 115.56 1m5z s PHE 38 Ca 0.00 0.60 -0.15 0.00 -1.04 0.00 0.00 56.93 56.35 1m5z s PHE 38 Cb 0.00 0.21 -0.07 0.00 -1.21 0.00 0.00 43.02 41.94 1m5z s PHE 38 CO 0.00 -0.20 0.61 -1.12 -1.34 0.00 0.00 175.22 173.17 1m5z s SER 39 N 2.44 6.83 0.43 1.98 0.01 0.89 -4.94 113.70 121.34 1m5z s SER 39 Ca -0.01 1.14 0.07 0.00 1.31 0.00 0.00 55.95 58.46 1m5z s SER 39 Cb -0.05 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 1m5z s SER 39 CO -0.15 0.02 0.34 0.68 0.41 0.00 0.00 173.24 174.54 1m5z s VAL 40 N -1.61 2.46 0.06 3.43 -7.23 -1.26 0.12 120.40 116.37 1m5z s VAL 40 Ca 0.43 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1m5z s VAL 40 Cb -0.14 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1m5z s VAL 40 CO 0.20 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.94 1m5z s ALA 41 N -2.54 0.64 0.39 1.32 0.00 0.35 -4.53 121.76 117.39 1m5z s ALA 41 Ca 0.45 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 1m5z s ALA 41 Cb -0.02 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 1m5z s ALA 41 CO 0.26 -0.23 1.12 0.16 0.00 0.00 0.00 175.76 177.07 1m5z s ASP 42 N -2.53 6.66 -0.27 0.00 1.47 -1.26 -1.28 116.67 119.45 1m5z s ASP 42 Ca 0.03 2.24 0.03 0.00 1.18 0.00 0.00 52.55 56.03 1m5z s ASP 42 Cb 0.01 -2.61 0.07 0.00 -0.34 0.00 0.00 42.92 40.06 1m5z s ASP 42 CO -0.05 -0.57 -0.08 -0.83 0.68 0.00 0.00 175.17 174.32 1m5z s GLY 43 N -1.25 1.71 -0.05 2.12 0.00 0.32 -4.83 107.32 105.34 1m5z s GLY 43 Ca 0.56 -1.90 0.17 0.00 0.00 0.00 0.00 44.72 43.55 1m5z s GLY 43 CO 0.35 0.67 0.53 1.47 0.00 0.00 0.00 173.10 176.12 1m5z n LEU 44 N 4.40 0.52 -0.14 0.66 -0.00 -1.26 -1.58 117.00 119.60 1m5z n LEU 44 Ca -0.11 0.23 0.14 0.00 -0.00 0.00 0.00 56.01 56.28 1m5z n LEU 44 Cb 0.42 0.21 0.66 0.00 -0.00 0.00 0.00 43.42 44.71 1m5z n LEU 44 CO 0.21 0.28 0.92 -0.11 -0.00 0.00 0.00 177.39 178.69 1m5z n LEU 45 N -2.81 0.51 -1.01 1.47 0.00 -1.26 -3.96 117.00 109.94 1m5z n LEU 45 Ca -0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 56.01 55.76 1m5z n LEU 45 Cb 0.95 -0.13 -0.03 0.00 0.00 0.00 0.00 43.42 44.21 1m5z n LEU 45 CO 0.44 0.09 0.25 -0.62 0.00 0.00 0.00 177.39 177.55 1m5z n GLU 46 N -0.82 0.00 -1.41 1.96 1.02 -1.26 -5.09 120.64 115.05 1m5z n GLU 46 Ca 0.17 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.20 1m5z n GLU 46 Cb 0.26 0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 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 -0.14 -1.69 3.49 5.02 -0.76 -4.84 118.16 119.38 1m5z n LYS 47 Ca -0.12 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1m5z n LYS 47 Cb 0.79 -0.34 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 1m5z n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1m5z n GLY 48 N 0.88 -0.52 2.94 0.72 0.00 -0.61 -4.11 105.19 104.49 1m5z n GLY 48 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.56 -0.00 0.44 1.61 1.01 -1.26 0.12 120.40 118.75 1m5z s VAL 49 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1m5z s VAL 49 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 1m5z s VAL 49 CO 0.00 0.01 0.09 -0.31 0.00 0.00 0.00 175.10 174.88 1m5z s TYR 50 N 0.12 1.83 -0.19 5.22 2.02 -0.41 -1.80 117.35 124.14 1m5z s TYR 50 Ca -0.01 -1.16 -0.23 0.00 -0.37 0.00 0.00 57.07 55.30 1m5z s TYR 50 Cb -0.01 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 1m5z s TYR 50 CO -0.00 -0.11 0.75 0.08 -1.57 0.00 0.00 175.55 174.69 1m5z s VAL 51 N -3.10 4.94 -0.03 0.71 1.01 -1.23 0.13 120.40 122.83 1m5z s VAL 51 Ca 0.19 1.44 0.12 0.00 0.00 0.00 0.00 61.98 63.73 1m5z s VAL 51 Cb 0.03 -4.05 -0.21 0.00 0.00 0.00 0.00 36.38 32.14 1m5z s VAL 51 CO 0.11 0.05 0.81 0.50 0.00 0.00 0.00 175.10 176.58 1m5z h LYS 52 N 7.42 0.00 -1.58 2.72 1.63 0.63 -2.07 116.57 125.32 1m5z h LYS 52 Ca -0.30 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.58 1m5z h LYS 52 Cb 1.13 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 32.54 1m5z h LYS 52 CO 0.81 0.55 0.53 0.54 -3.45 0.00 0.00 179.45 178.43 1m5z s ASN 53 N -6.17 -0.39 -0.05 4.20 2.20 -0.96 -4.97 114.94 108.81 1m5z s ASN 53 Ca -0.03 0.42 0.03 0.00 -0.94 0.00 0.00 52.86 52.34 1m5z s ASN 53 Cb 0.08 0.32 0.01 0.00 -2.00 0.00 0.00 41.25 39.66 1m5z s ASN 53 CO 0.82 -0.36 -0.12 -0.63 -2.94 0.00 0.00 177.10 173.87 1m5z s ILE 54 N -1.11 1.08 0.06 0.54 1.01 -1.26 -0.07 121.20 121.45 1m5z s ILE 54 Ca -0.02 -0.49 -0.31 0.00 0.00 0.00 0.00 60.65 59.83 1m5z s ILE 54 Cb -0.00 -0.97 -0.08 0.00 0.01 0.00 0.00 42.46 41.41 1m5z s ILE 54 CO 0.02 0.33 1.62 -0.60 0.00 0.00 0.00 174.94 176.31 1m5z s ARG 55 N 0.41 4.21 0.35 2.79 3.52 0.15 -4.94 118.95 125.44 1m5z s ARG 55 Ca -0.09 2.28 -0.28 0.00 -0.13 0.00 0.00 55.73 57.52 1m5z s ARG 55 Cb -0.13 -3.58 -0.12 0.00 -1.56 0.00 0.00 34.95 29.56 1m5z s ARG 55 CO 0.02 -0.71 1.27 -2.30 -0.81 0.00 0.00 175.30 172.77 1m5z n PRO 56 N 5.52 2.06 -2.97 5.12 -0.02 -1.26 -2.06 135.00 141.39 1m5z n PRO 56 Ca 0.15 0.72 -0.11 0.00 -2.02 0.00 0.00 63.50 62.25 1m5z n PRO 56 Cb 0.41 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.25 -1.04 -2.88 3.55 0.00 -1.26 -4.89 120.51 114.24 1m5z n ALA 57 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1m5z n ALA 57 Cb 0.36 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.66 2.18 0.33 0.00 0.00 -0.88 -4.79 105.19 101.37 1m5z n GLY 58 Ca 0.02 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 43.99 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 0.53 -0.12 1.61 0.13 -1.84 0.43 132.00 132.74 1m5z h PRO 59 Ca 0.00 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 1m5z h PRO 59 Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 1m5z h PRO 59 CO 0.00 0.35 -0.35 0.78 -0.23 0.00 0.00 178.00 178.55 1m5z h GLY 60 N 0.54 0.50 1.77 1.56 0.00 -1.68 -0.88 103.07 104.88 1m5z h GLY 60 Ca 0.21 -0.64 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 1m5z h GLY 60 CO -0.06 0.57 -0.61 -1.80 0.00 0.00 0.00 176.54 174.65 1m5z h ASP 61 N 0.04 0.27 0.65 0.19 1.82 -1.62 -2.54 116.42 115.24 1m5z h ASP 61 Ca -0.01 -0.16 -0.12 0.00 -0.39 0.00 0.00 57.03 56.36 1m5z h ASP 61 Cb 0.97 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.88 1m5z h ASP 61 CO 0.08 0.81 -0.56 -0.07 -1.61 0.00 0.00 179.24 177.89 1m5z h LEU 62 N 0.18 0.00 0.31 2.28 3.38 -0.15 -3.30 115.31 118.00 1m5z h LEU 62 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1m5z h LEU 62 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1m5z h LEU 62 CO 0.09 0.56 -0.15 1.23 0.09 0.00 0.00 178.44 180.26 1m5z h GLY 63 N 1.86 -0.43 0.00 0.83 0.00 -0.91 -3.49 103.07 100.93 1m5z h GLY 63 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1m5z h GLY 63 CO 0.07 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.07 1m5z n GLY 64 N 0.48 0.72 3.73 4.60 0.00 -0.98 -4.76 105.19 108.99 1m5z n GLY 64 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1m5z n GLY 64 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1m5z s LEU 65 N 0.00 4.44 0.37 0.99 0.05 -1.21 -5.02 118.68 118.30 1m5z s LEU 65 Ca 0.00 2.14 0.08 0.00 0.05 0.00 0.00 54.13 56.40 1m5z s LEU 65 Cb 0.00 -3.60 -0.07 0.00 -2.05 0.00 0.00 46.19 40.47 1m5z s LEU 65 CO 0.00 -0.35 -0.03 -0.54 -0.55 0.00 0.00 176.35 174.87 1m5z s LYS 66 N 0.04 1.86 0.41 1.48 1.02 -1.26 -4.45 119.74 118.84 1m5z s LYS 66 Ca 0.53 -2.01 -0.22 0.00 0.02 0.00 0.00 55.97 54.29 1m5z s LYS 66 Cb -0.31 -1.60 -0.14 0.00 -0.52 0.00 0.00 37.83 35.26 1m5z s LYS 66 CO 0.34 0.03 0.34 -2.30 -0.92 0.00 0.00 175.35 172.84 1m5z n PRO 67 N -0.86 0.28 0.00 -1.68 -0.02 -1.26 -1.62 135.00 129.85 1m5z n PRO 67 Ca -0.05 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1m5z n PRO 67 Cb 0.65 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 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 -0.91 0.00 -1.51 6.00 4.01 -0.78 -4.88 117.16 119.09 1m5z n TYR 68 Ca 0.12 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.72 1m5z n TYR 68 Cb 0.39 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.32 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 0.78 -4.55 7.72 9.92 -0.64 -4.36 116.55 125.42 1m5z n ASP 69 Ca 0.00 -1.53 -0.34 0.00 -0.53 0.00 0.00 54.79 52.39 1m5z n ASP 69 Cb 0.00 -1.38 -0.04 0.00 -0.64 0.00 0.00 41.12 39.06 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 8.18 2.42 -0.37 -1.24 3.52 -0.64 -3.48 118.95 127.34 1m5z s ARG 70 Ca 0.91 0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 56.82 1m5z s ARG 70 Cb -0.24 -4.58 -0.09 0.00 -1.56 0.00 0.00 34.95 28.48 1m5z s ARG 70 CO 0.19 -3.10 2.28 1.28 -0.81 0.00 0.00 175.30 175.14 1m5z n LEU 71 N 14.13 2.49 -0.02 -0.88 4.77 -0.75 -1.73 117.00 135.01 1m5z n LEU 71 Ca 0.29 0.13 -0.01 0.00 -0.03 0.00 0.00 56.01 56.39 1m5z n LEU 71 Cb 0.51 -1.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1m5z n LEU 71 CO 0.68 -0.89 -0.06 -0.07 -1.33 0.00 0.00 177.39 175.72 1m5z h LEU 72 N 14.90 0.00 -8.53 2.23 3.38 -1.47 -3.36 115.31 122.47 1m5z h LEU 72 Ca -0.30 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.03 1m5z h LEU 72 Cb 1.28 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.74 1m5z h LEU 72 CO 1.05 0.25 -0.87 0.00 0.09 0.00 0.00 178.44 178.96 1m5z s GLN 73 N -1.34 1.78 -0.21 1.13 -2.07 -1.00 0.13 119.66 118.07 1m5z s GLN 73 Ca -0.03 -0.85 0.01 0.00 -1.82 0.00 0.00 55.36 52.67 1m5z s GLN 73 Cb 0.00 -1.77 0.05 0.00 -1.09 0.00 0.00 33.01 30.21 1m5z s GLN 73 CO 0.04 0.48 -0.08 0.08 -1.32 0.00 0.00 175.29 174.48 1m5z s VAL 74 N -0.59 1.62 -1.27 3.63 1.01 0.78 -0.53 120.40 125.05 1m5z s VAL 74 Ca 0.09 -1.12 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1m5z s VAL 74 Cb -0.09 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1m5z s VAL 74 CO -0.00 0.05 0.30 0.59 0.00 0.00 0.00 175.10 176.05 1m5z n ASN 75 N 4.67 -5.00 0.00 3.32 4.13 0.58 -1.81 115.26 121.14 1m5z n ASN 75 Ca -0.14 -0.15 0.00 0.00 1.68 0.00 0.00 54.58 55.98 1m5z n ASN 75 Cb 0.45 -3.95 0.00 0.00 -1.54 0.00 0.00 39.78 34.75 1m5z n ASN 75 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1m5z n HIS 76 N -4.16 0.00 -2.93 3.10 -0.00 -1.26 -5.02 115.22 104.96 1m5z n HIS 76 Ca -0.13 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.66 1m5z n HIS 76 Cb 0.61 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.43 1m5z n HIS 76 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1m5z s VAL 77 N -2.18 4.39 0.13 3.57 1.01 -0.75 -5.02 120.40 121.55 1m5z s VAL 77 Ca 0.00 1.78 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 1m5z s VAL 77 Cb 0.00 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 1m5z s VAL 77 CO 0.00 0.48 1.36 -0.13 0.00 0.00 0.00 175.10 176.81 1m5z s ARG 78 N -0.88 4.34 0.00 2.72 3.00 -1.26 -0.16 118.95 126.72 1m5z s ARG 78 Ca 0.38 2.05 0.16 0.00 0.00 0.00 0.00 55.73 58.32 1m5z s ARG 78 Cb -0.23 -3.24 0.27 0.00 0.00 0.00 0.00 34.95 31.75 1m5z s ARG 78 CO 0.27 -0.39 1.09 0.25 0.00 0.00 0.00 175.30 176.52 1m5z n THR 79 N 3.68 0.00 0.06 0.02 -2.24 0.34 -4.85 114.28 111.29 1m5z n THR 79 Ca 0.10 -0.63 -0.22 0.00 -2.27 0.00 0.00 64.05 61.03 1m5z n THR 79 Cb 0.43 0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.63 0.35 -0.43 -0.78 3.08 -0.96 -3.31 114.38 112.96 1m5z h ARG 80 Ca -0.24 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.22 1m5z h ARG 80 Cb 1.70 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.97 1m5z h ARG 80 CO 0.01 1.28 0.00 -0.25 -1.07 0.00 0.00 179.97 179.95 1m5z n ASP 81 N -3.87 2.27 -3.26 7.04 8.00 -1.26 -3.41 116.55 122.05 1m5z n ASP 81 Ca -0.20 -2.02 -0.19 0.00 0.71 0.00 0.00 54.79 53.09 1m5z n ASP 81 Cb 0.95 -0.29 0.13 0.00 -0.02 0.00 0.00 41.12 41.90 1m5z n ASP 81 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1m5z n PHE 82 N 0.71 -3.98 -4.43 1.24 3.01 -1.25 -4.72 117.46 108.04 1m5z n PHE 82 Ca 0.14 -0.78 -0.21 0.00 1.01 0.00 0.00 57.45 57.61 1m5z n PHE 82 Cb 0.36 -0.67 -0.11 0.00 -0.01 0.00 0.00 39.48 39.06 1m5z n PHE 82 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1m5z s ASP 83 N -4.19 2.29 0.23 4.37 1.01 -1.26 -3.48 116.67 115.64 1m5z s ASP 83 Ca 0.50 -1.35 -0.07 0.00 0.71 0.00 0.00 52.55 52.34 1m5z s ASP 83 Cb -0.01 -0.07 0.39 0.00 1.01 0.00 0.00 42.92 44.24 1m5z s ASP 83 CO 0.35 -0.59 1.71 0.00 0.21 0.00 0.00 175.17 176.85 1m5z n LEU 86 N -2.84 2.33 0.08 0.00 -0.00 0.22 -4.18 117.00 112.61 1m5z n LEU 86 Ca -0.01 0.06 -0.14 0.00 -0.00 0.00 0.00 56.01 55.91 1m5z n LEU 86 Cb 0.13 -0.73 -0.07 0.00 -0.00 0.00 0.00 43.42 42.75 1m5z n LEU 86 CO 0.20 0.81 0.12 0.58 -0.00 0.00 0.00 177.39 179.09 1m5z h VAL 87 N 0.03 1.43 0.04 1.96 2.07 0.58 -2.70 116.25 119.65 1m5z h VAL 87 Ca -0.49 -2.62 0.01 0.00 0.82 0.00 0.00 66.70 64.42 1m5z h VAL 87 Cb 2.00 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 34.32 1m5z h VAL 87 CO 0.01 0.78 -0.12 0.58 0.02 0.00 0.00 177.57 178.84 1m5z h VAL 88 N 0.18 0.72 -0.36 2.57 2.07 -0.52 -0.51 116.25 120.40 1m5z h VAL 88 Ca -0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1m5z h VAL 88 Cb 1.68 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1m5z h VAL 88 CO 0.17 0.00 0.03 -0.65 0.02 0.00 0.00 177.57 177.15 1m5z h PRO 89 N -0.21 0.62 -0.64 1.57 0.11 -1.73 -2.31 132.00 129.41 1m5z h PRO 89 Ca 0.03 -0.18 0.15 0.00 0.11 0.00 0.00 66.00 66.11 1m5z h PRO 89 Cb 0.25 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 1m5z h PRO 89 CO -0.09 0.71 0.44 -0.07 -0.21 0.00 0.00 178.00 178.78 1m5z h LEU 90 N 0.45 0.19 -0.01 2.35 3.38 -1.26 0.41 115.31 120.83 1m5z h LEU 90 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1m5z h LEU 90 Cb 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1m5z h LEU 90 CO 0.01 0.10 -0.03 0.40 0.09 0.00 0.00 178.44 179.02 1m5z h ILE 91 N 0.21 1.52 0.00 1.22 2.04 -0.71 -3.15 117.51 118.64 1m5z h ILE 91 Ca 0.31 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1m5z h ILE 91 Cb 0.92 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 1m5z h ILE 91 CO -0.06 0.41 0.00 0.00 0.00 0.00 0.00 178.15 178.51 1m5z n ALA 92 N -2.44 2.36 0.70 1.87 0.00 -0.61 -2.88 120.51 119.50 1m5z n ALA 92 Ca -0.09 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.32 1m5z n ALA 92 Cb 0.34 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.13 0.20 0.24 0.00 1.02 0.13 -4.04 120.64 117.06 1m5z n GLU 93 Ca 0.16 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.39 1m5z n GLU 93 Cb 0.14 -1.57 0.62 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 0.00 0.00 0.00 1.62 0.02 -1.55 -3.47 113.55 110.17 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 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1m5z h SER 94 CO 0.00 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 1m5z n GLY 95 N -0.91 2.87 0.00 -3.77 0.00 -1.26 -4.28 105.19 97.84 1m5z n GLY 95 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 2.12 0.00 -4.35 1.61 5.03 -1.26 -4.93 115.26 113.48 1m5z n ASN 96 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1m5z n ASN 96 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.65 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1m5z s LYS 97 N -0.86 2.78 -0.59 3.52 2.20 -1.26 -1.25 119.74 124.27 1m5z s LYS 97 Ca 0.00 -1.18 -0.14 0.00 -0.36 0.00 0.00 55.97 54.29 1m5z s LYS 97 Cb 0.00 -3.76 0.15 0.00 -1.51 0.00 0.00 37.83 32.70 1m5z s LYS 97 CO 0.00 -0.78 0.53 -1.17 -0.36 0.00 0.00 175.35 173.57 1m5z s LEU 98 N 1.53 6.18 -0.30 5.43 0.20 -0.44 -4.81 118.68 126.47 1m5z s LEU 98 Ca 0.02 -2.07 -0.11 0.00 0.69 0.00 0.00 54.13 52.66 1m5z s LEU 98 Cb -0.20 -2.15 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 1m5z s LEU 98 CO 0.06 -0.74 0.20 -0.62 -0.29 0.00 0.00 176.35 174.96 1m5z s ASP 99 N 2.96 5.98 0.09 3.68 -1.08 -1.26 -1.00 116.67 126.03 1m5z s ASP 99 Ca 0.08 -0.17 -0.10 0.00 -0.52 0.00 0.00 52.55 51.83 1m5z s ASP 99 Cb -0.24 -2.11 0.01 0.00 -1.46 0.00 0.00 42.92 39.11 1m5z s ASP 99 CO -0.01 -0.12 0.23 -1.48 0.52 0.00 0.00 175.17 174.31 1m5z s LEU 100 N 1.74 1.24 -0.34 -1.34 0.05 0.73 -0.31 118.68 120.45 1m5z s LEU 100 Ca 0.07 -0.57 -0.05 0.00 0.05 0.00 0.00 54.13 53.63 1m5z s LEU 100 Cb -0.16 1.17 0.05 0.00 -2.05 0.00 0.00 46.19 45.19 1m5z s LEU 100 CO 0.10 -0.73 0.09 -0.69 -0.55 0.00 0.00 176.35 174.57 1m5z s VAL 101 N -3.73 3.54 0.41 1.48 1.01 0.31 -0.32 120.40 123.10 1m5z s VAL 101 Ca 0.04 -1.27 0.08 0.00 0.00 0.00 0.00 61.98 60.82 1m5z s VAL 101 Cb 0.04 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1m5z s VAL 101 CO -0.10 -0.20 0.44 0.27 0.00 0.00 0.00 175.10 175.51 1m5z s ILE 102 N 1.34 2.87 -0.07 2.22 -5.25 -0.93 -1.43 121.20 119.95 1m5z s ILE 102 Ca -0.02 -1.21 -0.03 0.00 -0.99 0.00 0.00 60.65 58.40 1m5z s ILE 102 Cb -0.20 -3.02 0.04 0.00 2.95 0.00 0.00 42.46 42.23 1m5z s ILE 102 CO 0.01 -0.01 0.14 -0.94 -1.79 0.00 0.00 174.94 172.35 1m5z s SER 103 N -4.20 0.31 -0.07 4.36 1.04 -0.70 0.24 113.70 114.67 1m5z s SER 103 Ca 0.50 0.30 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 1m5z s SER 103 Cb -0.06 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1m5z s SER 103 CO 0.30 -0.19 0.18 0.00 0.98 0.00 0.00 173.24 174.51 1m5z s ARG 104 N 1.68 0.19 0.22 4.02 1.70 -0.87 -1.62 118.95 124.28 1m5z s ARG 104 Ca -0.03 0.31 -0.31 0.00 -0.47 0.00 0.00 55.73 55.22 1m5z s ARG 104 Cb -0.12 0.03 -0.11 0.00 -0.57 0.00 0.00 34.95 34.18 1m5z s ARG 104 CO -0.06 -0.06 1.59 0.54 -1.08 0.00 0.00 175.30 176.23 1m5z s ASN 105 N 0.41 6.50 0.00 -2.89 2.20 -1.26 -1.49 114.94 118.40 1m5z s ASN 105 Ca -0.03 2.77 0.19 0.00 -0.94 0.00 0.00 52.86 54.86 1m5z s ASN 105 Cb -0.04 -2.61 1.16 0.00 -2.00 0.00 0.00 41.25 37.76 1m5z s ASN 105 CO -0.02 -0.86 1.55 -0.81 -2.94 0.00 0.00 177.10 174.02