#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 0.21 0.00 4.33 0.13 -2.01 -3.44 132.00 131.22 1m5z h PRO 17 Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1m5z h PRO 17 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1m5z h PRO 17 CO 0.00 0.71 0.00 2.41 -0.23 0.00 0.00 178.00 180.89 1m5z n THR 18 N -4.63 0.00 -1.64 1.56 -1.04 -1.26 -4.96 114.28 102.30 1m5z n THR 18 Ca -0.08 0.00 -0.55 0.00 -2.04 0.00 0.00 64.05 61.38 1m5z n THR 18 Cb 0.36 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.80 1m5z n THR 18 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1m5z n PRO 19 N -3.27 1.09 -1.52 -2.82 -0.04 -1.26 -4.17 135.00 123.01 1m5z n PRO 19 Ca 0.00 0.40 -0.56 0.00 -0.04 0.00 0.00 63.50 63.30 1m5z n PRO 19 Cb 0.00 -2.05 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 1m5z n PRO 19 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1m5z n VAL 20 N 3.44 0.23 -3.48 0.52 0.24 -1.26 -4.76 118.33 113.25 1m5z n VAL 20 Ca 0.22 -0.06 -0.38 0.00 -2.04 0.00 0.00 64.34 62.08 1m5z n VAL 20 Cb 0.15 -0.28 -0.09 0.00 -1.47 0.00 0.00 33.84 32.15 1m5z n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1m5z s GLU 21 N 0.02 4.04 0.12 7.34 2.12 -0.90 -4.69 118.70 126.74 1m5z s GLU 21 Ca 0.86 -0.07 0.02 0.00 0.36 0.00 0.00 54.97 56.13 1m5z s GLU 21 Cb -1.13 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 29.61 1m5z s GLU 21 CO 0.54 -0.15 0.25 -0.48 -0.54 0.00 0.00 175.26 174.88 1m5z s LEU 22 N 1.68 4.31 -0.01 2.70 0.05 -1.25 -2.13 118.68 124.03 1m5z s LEU 22 Ca 0.12 0.19 -0.13 0.00 0.05 0.00 0.00 54.13 54.37 1m5z s LEU 22 Cb -0.15 -2.90 0.02 0.00 -2.05 0.00 0.00 46.19 41.11 1m5z s LEU 22 CO 0.09 0.10 0.27 -1.00 -0.55 0.00 0.00 176.35 175.25 1m5z s HIS 23 N -1.65 -0.13 -0.64 3.48 0.09 -0.49 -4.96 115.29 110.99 1m5z s HIS 23 Ca 0.34 0.18 -0.27 0.00 -0.00 0.00 0.00 55.06 55.31 1m5z s HIS 23 Cb -0.12 0.06 0.03 0.00 -0.00 0.00 0.00 32.58 32.56 1m5z s HIS 23 CO 0.28 -0.36 1.20 -1.59 -0.00 0.00 0.00 174.74 174.27 1m5z s LYS 24 N -1.30 3.36 -0.13 1.40 -2.85 -1.26 -2.08 119.74 116.88 1m5z s LYS 24 Ca -0.13 -0.02 -0.07 0.00 -1.00 0.00 0.00 55.97 54.74 1m5z s LYS 24 Cb -0.06 -4.09 -0.04 0.00 -2.06 0.00 0.00 37.83 31.58 1m5z s LYS 24 CO 0.03 -1.85 0.13 0.14 0.10 0.00 0.00 175.35 173.91 1m5z s VAL 25 N 5.13 5.43 -0.21 1.79 -7.23 0.23 -4.92 120.40 120.62 1m5z s VAL 25 Ca 0.38 0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 60.72 1m5z s VAL 25 Cb -0.08 -3.37 0.06 0.00 0.56 0.00 0.00 36.38 33.54 1m5z s VAL 25 CO 0.20 0.60 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.69 1m5z s THR 26 N -0.84 1.01 0.49 5.32 2.01 -1.25 -0.02 115.64 122.36 1m5z s THR 26 Ca 0.14 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1m5z s THR 26 Cb -0.12 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.01 1m5z s THR 26 CO 0.03 -0.15 0.46 -0.76 -0.69 0.00 0.00 174.62 173.52 1m5z s LEU 27 N 1.63 3.07 0.14 4.42 1.43 -0.24 -4.63 118.68 124.51 1m5z s LEU 27 Ca -0.03 -0.96 0.07 0.00 -1.03 0.00 0.00 54.13 52.18 1m5z s LEU 27 Cb -0.18 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1m5z s LEU 27 CO -0.07 -0.95 -0.16 -0.31 0.23 0.00 0.00 176.35 175.09 1m5z s TYR 28 N -2.62 1.56 -0.04 0.29 1.51 -1.26 0.38 117.35 117.16 1m5z s TYR 28 Ca 0.45 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 1m5z s TYR 28 Cb -0.03 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1m5z s TYR 28 CO 0.27 0.21 -0.14 0.21 -1.11 0.00 0.00 175.55 174.99 1m5z s LYS 29 N -2.74 2.47 -0.10 -0.62 2.36 0.31 -4.80 119.74 116.62 1m5z s LYS 29 Ca 0.12 -0.72 0.01 0.00 -2.55 0.00 0.00 55.97 52.83 1m5z s LYS 29 Cb -0.05 -2.36 -0.02 0.00 -1.05 0.00 0.00 37.83 34.34 1m5z s LYS 29 CO 0.04 0.62 -0.11 0.34 1.55 0.00 0.00 175.35 177.79 1m5z s ASP 30 N -0.80 4.23 -0.87 1.43 -1.08 -1.26 -4.77 116.67 113.56 1m5z s ASP 30 Ca 0.12 -0.21 -0.23 0.00 -0.52 0.00 0.00 52.55 51.71 1m5z s ASP 30 Cb -0.11 -1.33 -0.19 0.00 -1.46 0.00 0.00 42.92 39.84 1m5z s ASP 30 CO 0.01 0.25 2.16 -1.20 0.52 0.00 0.00 175.17 176.92 1m5z n SER 31 N 2.94 1.05 0.00 -0.34 7.64 -1.26 -0.76 113.62 122.90 1m5z n SER 31 Ca -0.18 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1m5z n SER 31 Cb 0.53 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1m5z n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m5z n GLY 32 N 6.25 0.52 3.76 0.23 0.00 -1.26 -5.14 105.19 109.56 1m5z n GLY 32 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 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 4.74 0.02 1.61 -1.94 0.06 -4.95 119.30 118.85 1m5z s MET 33 Ca 0.00 1.37 0.28 0.00 -1.71 0.00 0.00 55.69 55.64 1m5z s MET 33 Cb 0.00 -3.20 1.15 0.00 2.01 0.00 0.00 34.83 34.79 1m5z s MET 33 CO 0.00 0.50 1.88 -1.91 -0.01 0.00 0.00 175.02 175.48 1m5z n GLU 34 N 1.38 0.03 -0.93 2.03 2.13 -1.26 -4.88 120.64 119.14 1m5z n GLU 34 Ca -0.02 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1m5z n GLU 34 Cb 0.48 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.65 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1m5z n ASP 35 N -1.59 0.00 -2.13 4.31 8.00 -1.26 -5.01 116.55 118.86 1m5z n ASP 35 Ca 0.07 -0.76 -0.18 0.00 0.71 0.00 0.00 54.79 54.63 1m5z n ASP 35 Cb 0.35 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.66 1m5z n ASP 35 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1m5z n PHE 36 N 0.00 2.82 -0.74 1.24 3.01 -1.26 -4.77 117.46 117.75 1m5z n PHE 36 Ca 0.00 -1.62 0.00 0.00 1.01 0.00 0.00 57.45 56.84 1m5z n PHE 36 Cb 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 38.62 1m5z n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m5z n GLY 37 N -0.80 0.65 3.58 1.37 0.00 -1.26 -2.91 105.19 105.82 1m5z n GLY 37 Ca 0.53 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.32 0.24 1.61 -0.71 -1.26 -0.20 117.98 115.35 1m5z s PHE 38 Ca 0.00 0.61 -0.10 0.00 -1.04 0.00 0.00 56.93 56.40 1m5z s PHE 38 Cb 0.00 0.19 -0.07 0.00 -1.21 0.00 0.00 43.02 41.92 1m5z s PHE 38 CO 0.00 -0.16 0.58 -1.12 -1.34 0.00 0.00 175.22 173.18 1m5z s SER 39 N 1.39 6.65 0.43 1.98 0.01 0.18 -4.92 113.70 119.42 1m5z s SER 39 Ca -0.07 0.98 0.07 0.00 1.31 0.00 0.00 55.95 58.24 1m5z s SER 39 Cb -0.03 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 1m5z s SER 39 CO -0.13 -0.09 0.29 0.68 0.41 0.00 0.00 173.24 174.39 1m5z s VAL 40 N -1.84 2.38 -0.08 3.43 -7.23 -1.26 0.15 120.40 115.94 1m5z s VAL 40 Ca 0.48 -1.52 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 1m5z s VAL 40 Cb -0.11 -2.90 0.03 0.00 0.56 0.00 0.00 36.38 33.96 1m5z s VAL 40 CO 0.21 0.00 0.33 0.00 -0.31 0.00 0.00 175.10 175.33 1m5z s ALA 41 N -2.57 -0.83 0.92 1.32 0.00 0.26 -4.45 121.76 116.41 1m5z s ALA 41 Ca 0.43 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 1m5z s ALA 41 Cb 0.00 -0.28 0.14 0.00 0.00 0.00 0.00 23.12 22.98 1m5z s ALA 41 CO 0.25 -0.21 1.11 0.16 0.00 0.00 0.00 175.76 177.07 1m5z s ASP 42 N -0.48 3.36 -0.23 0.00 1.47 -1.26 0.01 116.67 119.54 1m5z s ASP 42 Ca -0.06 1.17 -0.07 0.00 1.18 0.00 0.00 52.55 54.77 1m5z s ASP 42 Cb -0.04 -1.82 -0.03 0.00 -0.34 0.00 0.00 42.92 40.69 1m5z s ASP 42 CO 0.02 -2.67 0.07 -0.83 0.68 0.00 0.00 175.17 172.44 1m5z s GLY 43 N -3.73 1.80 0.03 2.12 0.00 0.17 -4.77 107.32 102.93 1m5z s GLY 43 Ca 0.64 -1.03 0.19 0.00 0.00 0.00 0.00 44.72 44.52 1m5z s GLY 43 CO 0.55 0.41 0.67 1.04 0.00 0.00 0.00 173.10 175.77 1m5z n LEU 44 N 4.57 0.51 0.09 0.66 4.77 -1.26 -2.09 117.00 124.25 1m5z n LEU 44 Ca -0.16 0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 1m5z n LEU 44 Cb 0.52 0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.55 1m5z n LEU 44 CO 0.32 0.09 -0.46 -0.07 -1.33 0.00 0.00 177.39 175.94 1m5z h LEU 45 N 0.00 0.65 -5.19 2.23 4.07 -2.00 -3.42 115.31 111.65 1m5z h LEU 45 Ca -0.15 -0.90 -0.29 0.00 0.08 0.00 0.00 57.88 56.63 1m5z h LEU 45 Cb 1.42 -0.21 -0.20 0.00 1.08 0.00 0.00 40.66 42.75 1m5z h LEU 45 CO 0.02 1.75 -0.58 -1.84 -1.08 0.00 0.00 178.44 176.71 1m5z n GLU 46 N -3.61 1.01 0.00 1.13 0.28 -1.26 -5.15 120.64 113.04 1m5z n GLU 46 Ca -0.23 -2.20 0.00 0.00 -0.16 0.00 0.00 57.16 54.57 1m5z n GLU 46 Cb 1.08 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 32.80 1m5z n GLU 46 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1m5z n LYS 47 N 0.34 0.00 0.00 3.44 -0.00 -0.89 -4.87 118.16 116.18 1m5z n LYS 47 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1m5z n LYS 47 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.72 1m5z n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1m5z n GLY 48 N 0.00 -0.17 2.93 2.58 0.00 -1.25 -3.85 105.19 105.43 1m5z n GLY 48 Ca 0.00 -1.85 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.40 0.61 0.24 1.61 1.01 -1.26 0.41 120.40 121.62 1m5z s VAL 49 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1m5z s VAL 49 Cb 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 1m5z s VAL 49 CO 0.00 0.22 0.05 -1.22 0.00 0.00 0.00 175.10 174.15 1m5z n TYR 50 N 3.74 0.31 -3.42 5.22 4.01 0.10 -1.69 117.16 125.43 1m5z n TYR 50 Ca -0.23 -1.38 -0.39 0.00 -0.16 0.00 0.00 57.90 55.75 1m5z n TYR 50 Cb 0.52 -0.08 -0.09 0.00 -0.31 0.00 0.00 39.34 39.39 1m5z n TYR 50 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1m5z s VAL 51 N -2.20 5.20 -0.04 -0.72 1.01 -1.23 0.90 120.40 123.33 1m5z s VAL 51 Ca 0.06 0.57 0.12 0.00 0.00 0.00 0.00 61.98 62.74 1m5z s VAL 51 Cb 0.00 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.48 1m5z s VAL 51 CO 0.05 0.21 0.73 0.07 0.00 0.00 0.00 175.10 176.15 1m5z h LYS 52 N 7.86 0.00 -2.63 2.72 2.10 0.11 -0.70 116.57 126.03 1m5z h LYS 52 Ca -0.34 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.26 1m5z h LYS 52 Cb 1.16 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.33 1m5z h LYS 52 CO 0.67 0.52 0.08 -0.80 -2.00 0.00 0.00 179.45 177.92 1m5z s ASN 53 N -6.12 -0.50 -0.00 7.07 0.01 -0.98 -4.95 114.94 109.47 1m5z s ASN 53 Ca -0.04 0.28 0.01 0.00 -0.71 0.00 0.00 52.86 52.39 1m5z s ASN 53 Cb 0.08 0.51 0.00 0.00 0.41 0.00 0.00 41.25 42.25 1m5z s ASN 53 CO 0.82 -0.71 -0.02 -0.63 -1.51 0.00 0.00 177.10 175.05 1m5z s ILE 54 N -2.27 0.17 0.21 0.60 -1.09 -1.26 0.47 121.20 118.03 1m5z s ILE 54 Ca -0.06 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 57.98 1m5z s ILE 54 Cb -0.01 -0.16 -0.10 0.00 -1.58 0.00 0.00 42.46 40.61 1m5z s ILE 54 CO -0.00 0.06 1.44 -0.60 -1.23 0.00 0.00 174.94 174.61 1m5z s ARG 55 N 0.05 4.28 -0.71 2.79 3.00 0.73 -4.92 118.95 124.16 1m5z s ARG 55 Ca -0.00 2.26 -0.26 0.00 -1.00 0.00 0.00 55.73 56.73 1m5z s ARG 55 Cb -0.02 -3.14 -0.01 0.00 0.00 0.00 0.00 34.95 31.78 1m5z s ARG 55 CO -0.00 -0.44 1.71 -1.25 0.00 0.00 0.00 175.30 175.32 1m5z s PRO 56 N 0.12 2.81 0.00 5.12 0.04 -1.26 -2.77 135.00 139.05 1m5z s PRO 56 Ca 0.62 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1m5z s PRO 56 Cb -0.41 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 29.64 1m5z s PRO 56 CO 0.39 -2.65 0.00 0.00 0.04 0.00 0.00 177.00 174.78 1m5z n ALA 57 N 11.88 0.00 -2.41 8.56 0.00 -1.26 -5.07 120.51 132.22 1m5z n ALA 57 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1m5z n ALA 57 Cb 0.51 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.23 3.74 0.28 0.00 0.00 -1.11 -4.83 105.19 102.04 1m5z n GLY 58 Ca 0.00 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.30 -0.94 1.61 0.11 -1.86 0.44 132.00 131.07 1m5z h PRO 59 Ca 0.00 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.20 1m5z h PRO 59 Cb 0.00 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.11 1m5z h PRO 59 CO 0.00 -0.20 0.61 0.78 -0.21 0.00 0.00 178.00 178.98 1m5z h GLY 60 N -0.31 1.40 1.76 -0.55 0.00 -1.65 0.40 103.07 104.11 1m5z h GLY 60 Ca 0.10 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 1m5z h GLY 60 CO -0.32 0.29 -0.71 -0.55 0.00 0.00 0.00 176.54 175.25 1m5z h ASP 61 N 1.06 0.28 0.57 0.19 5.19 -1.55 -2.50 116.42 119.65 1m5z h ASP 61 Ca 0.41 -0.18 -0.16 0.00 -0.62 0.00 0.00 57.03 56.48 1m5z h ASP 61 Cb 0.23 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1m5z h ASP 61 CO -0.16 0.90 -0.70 -0.07 -3.12 0.00 0.00 179.24 176.08 1m5z h LEU 62 N 0.16 0.13 0.24 1.55 3.38 0.12 -3.31 115.31 117.57 1m5z h LEU 62 Ca -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1m5z h LEU 62 Cb 1.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1m5z h LEU 62 CO 0.11 0.79 -0.11 1.23 0.09 0.00 0.00 178.44 180.55 1m5z h GLY 63 N 1.84 -0.33 0.00 0.83 0.00 -0.17 -3.49 103.07 101.76 1m5z h GLY 63 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1m5z h GLY 63 CO 0.10 -0.12 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1m5z n GLY 64 N 0.41 0.61 3.73 4.60 0.00 -0.95 -4.73 105.19 108.87 1m5z n GLY 64 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 4.51 0.38 0.99 0.05 -1.16 -5.03 118.68 118.42 1m5z s LEU 65 Ca 0.00 1.78 0.08 0.00 0.05 0.00 0.00 54.13 56.04 1m5z s LEU 65 Cb 0.00 -3.56 -0.07 0.00 -2.05 0.00 0.00 46.19 40.51 1m5z s LEU 65 CO 0.00 -0.03 -0.04 -1.59 -0.55 0.00 0.00 176.35 174.14 1m5z s LYS 66 N -0.16 1.89 0.45 1.48 -2.85 -1.26 -4.45 119.74 114.83 1m5z s LYS 66 Ca 0.45 -2.02 -0.21 0.00 -1.00 0.00 0.00 55.97 53.19 1m5z s LYS 66 Cb -0.23 -1.67 -0.13 0.00 -2.06 0.00 0.00 37.83 33.74 1m5z s LYS 66 CO 0.29 0.04 0.37 -2.30 0.10 0.00 0.00 175.35 173.86 1m5z n PRO 67 N -0.88 0.37 0.00 1.78 -0.02 -1.26 -1.76 135.00 133.23 1m5z n PRO 67 Ca -0.05 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1m5z n PRO 67 Cb 0.65 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 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 -1.09 0.00 -1.52 6.00 4.02 -0.27 -4.86 117.16 119.44 1m5z n TYR 68 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.86 1m5z n TYR 68 Cb 0.42 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.63 1m5z n TYR 68 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1m5z n ASP 69 N 0.00 0.86 -4.56 7.72 9.92 -0.72 -4.30 116.55 125.48 1m5z n ASP 69 Ca 0.00 -1.42 -0.38 0.00 -0.53 0.00 0.00 54.79 52.46 1m5z n ASP 69 Cb 0.00 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.07 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 8.29 2.55 -0.34 -1.24 3.52 0.16 -3.56 118.95 128.32 1m5z s ARG 70 Ca 0.96 0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 57.18 1m5z s ARG 70 Cb -0.27 -4.43 -0.08 0.00 -1.56 0.00 0.00 34.95 28.61 1m5z s ARG 70 CO 0.20 -2.80 2.27 1.28 -0.81 0.00 0.00 175.30 175.43 1m5z n LEU 71 N 13.40 2.60 -0.06 -0.88 4.32 -0.68 -0.44 117.00 135.25 1m5z n LEU 71 Ca 0.25 0.14 -0.07 0.00 -0.02 0.00 0.00 56.01 56.32 1m5z n LEU 71 Cb 0.52 -1.44 -0.05 0.00 -1.62 0.00 0.00 43.42 40.84 1m5z n LEU 71 CO 0.71 -0.86 -0.03 -0.07 -1.22 0.00 0.00 177.39 175.92 1m5z h LEU 72 N 14.88 0.00 -7.69 2.23 3.38 0.60 -3.32 115.31 125.38 1m5z h LEU 72 Ca -0.32 -0.29 -0.26 0.00 0.09 0.00 0.00 57.88 57.09 1m5z h LEU 72 Cb 1.28 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.73 1m5z h LEU 72 CO 1.03 0.77 -0.73 0.00 0.09 0.00 0.00 178.44 179.61 1m5z s GLN 73 N -1.93 0.05 -0.35 1.13 -2.07 -1.01 0.13 119.66 115.61 1m5z s GLN 73 Ca -0.10 0.03 -0.08 0.00 -1.82 0.00 0.00 55.36 53.39 1m5z s GLN 73 Cb 0.00 -0.13 0.03 0.00 -1.09 0.00 0.00 33.01 31.83 1m5z s GLN 73 CO 0.27 -0.04 0.14 0.08 -1.32 0.00 0.00 175.29 174.42 1m5z s VAL 74 N 0.30 4.10 0.00 3.63 1.01 -0.63 0.06 120.40 128.87 1m5z s VAL 74 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1m5z s VAL 74 Cb -0.04 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1m5z s VAL 74 CO -0.01 -0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.50 1m5z n ASN 75 N 4.89 0.00 0.00 3.32 3.02 0.30 -2.07 115.26 124.72 1m5z n ASN 75 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1m5z n ASN 75 Cb 0.45 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 0.00 0.00 -2.95 3.10 -0.00 -1.26 -4.99 115.22 109.12 1m5z n HIS 76 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 1m5z n HIS 76 Cb 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.82 1m5z n HIS 76 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1m5z s VAL 77 N 0.00 4.79 -0.93 3.57 0.11 -0.88 -4.97 120.40 122.08 1m5z s VAL 77 Ca 0.00 1.67 -0.24 0.00 -2.93 0.00 0.00 61.98 60.48 1m5z s VAL 77 Cb 0.00 -4.14 -0.03 0.00 -1.53 0.00 0.00 36.38 30.69 1m5z s VAL 77 CO 0.00 0.32 1.84 -0.13 -3.33 0.00 0.00 175.10 173.79 1m5z s ARG 78 N 0.24 2.79 -0.21 1.54 1.81 -1.26 -1.61 118.95 122.24 1m5z s ARG 78 Ca 0.40 -0.50 0.11 0.00 -1.72 0.00 0.00 55.73 54.02 1m5z s ARG 78 Cb -0.20 -5.13 0.66 0.00 -0.45 0.00 0.00 34.95 29.83 1m5z s ARG 78 CO 0.23 -3.12 1.55 0.25 -0.68 0.00 0.00 175.30 173.52 1m5z n THR 79 N 7.65 2.32 -0.07 0.02 -2.24 0.59 -4.35 114.28 118.20 1m5z n THR 79 Ca 0.39 -1.19 -0.14 0.00 -2.27 0.00 0.00 64.05 60.84 1m5z n THR 79 Cb 0.48 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.31 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 3.03 0.67 -0.61 -0.78 2.43 0.96 -2.99 114.38 117.10 1m5z h ARG 80 Ca 0.05 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1m5z h ARG 80 Cb 1.80 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.39 1m5z h ARG 80 CO 0.46 1.03 0.00 -0.25 -1.51 0.00 0.00 179.97 179.70 1m5z n ASP 81 N -4.22 3.21 -4.72 -3.80 9.92 -1.26 -4.29 116.55 111.38 1m5z n ASP 81 Ca -0.05 -2.30 -0.28 0.00 -0.53 0.00 0.00 54.79 51.63 1m5z n ASP 81 Cb 0.53 -0.47 0.11 0.00 -0.64 0.00 0.00 41.12 40.65 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1m5z s PHE 82 N -1.76 2.56 0.30 1.24 0.40 -1.13 -4.78 117.98 114.81 1m5z s PHE 82 Ca 0.32 0.52 0.09 0.00 -0.60 0.00 0.00 56.93 57.26 1m5z s PHE 82 Cb 0.21 -3.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 1m5z s PHE 82 CO 0.15 -1.89 0.08 0.34 0.70 0.00 0.00 175.22 174.60 1m5z s ASP 83 N -4.64 4.67 0.25 1.36 2.15 -1.26 -3.79 116.67 115.41 1m5z s ASP 83 Ca 0.65 -0.68 -0.03 0.00 0.43 0.00 0.00 52.55 52.91 1m5z s ASP 83 Cb -0.09 -0.83 0.50 0.00 -0.30 0.00 0.00 42.92 42.20 1m5z s ASP 83 CO 0.49 -0.15 1.74 0.00 -0.17 0.00 0.00 175.17 177.07 1m5z n LEU 86 N -3.39 0.60 0.10 0.00 4.32 0.15 -4.16 117.00 114.63 1m5z n LEU 86 Ca -0.03 0.15 -0.16 0.00 -0.02 0.00 0.00 56.01 55.96 1m5z n LEU 86 Cb 0.11 0.23 -0.12 0.00 -1.62 0.00 0.00 43.42 42.03 1m5z n LEU 86 CO 0.24 0.50 -0.01 0.58 -1.22 0.00 0.00 177.39 177.48 1m5z h VAL 87 N 0.00 1.45 0.02 4.08 2.07 0.20 -2.52 116.25 121.55 1m5z h VAL 87 Ca -0.45 -2.87 0.01 0.00 0.82 0.00 0.00 66.70 64.21 1m5z h VAL 87 Cb 2.13 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 34.72 1m5z h VAL 87 CO 0.04 0.84 -0.06 0.58 0.02 0.00 0.00 177.57 179.00 1m5z h VAL 88 N 0.12 0.85 -0.24 2.57 2.07 -0.75 -1.22 116.25 119.65 1m5z h VAL 88 Ca -0.13 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1m5z h VAL 88 Cb 1.89 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1m5z h VAL 88 CO 0.20 0.00 -0.16 -0.65 0.02 0.00 0.00 177.57 176.98 1m5z h PRO 89 N -0.12 0.53 -0.51 1.57 0.11 -1.72 -2.39 132.00 129.48 1m5z h PRO 89 Ca 0.02 -0.25 0.15 0.00 0.11 0.00 0.00 66.00 66.02 1m5z h PRO 89 Cb 0.13 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1m5z h PRO 89 CO -0.05 0.82 0.38 -0.07 -0.21 0.00 0.00 178.00 178.87 1m5z h LEU 90 N 0.25 0.00 0.00 2.35 3.38 -1.34 0.20 115.31 120.15 1m5z h LEU 90 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1m5z h LEU 90 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1m5z h LEU 90 CO 0.04 0.00 -0.00 0.40 0.09 0.00 0.00 178.44 178.97 1m5z h ILE 91 N 0.00 1.72 0.00 1.22 2.04 -1.02 -3.10 117.51 118.38 1m5z h ILE 91 Ca 0.24 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.98 1m5z h ILE 91 Cb 1.00 3.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.25 1m5z h ILE 91 CO -0.00 0.55 0.00 0.00 0.00 0.00 0.00 178.15 178.70 1m5z n ALA 92 N -2.56 2.04 0.79 1.87 0.00 -0.66 -2.32 120.51 119.67 1m5z n ALA 92 Ca -0.10 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.33 1m5z n ALA 92 Cb 0.44 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.20 1.47 0.19 0.00 -0.58 0.63 -4.35 120.64 116.79 1m5z n GLU 93 Ca 0.10 -0.14 0.14 0.00 -0.42 0.00 0.00 57.16 56.84 1m5z n GLU 93 Cb 0.12 -1.30 0.66 0.00 -0.57 0.00 0.00 31.44 30.35 1m5z n GLU 93 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1m5z h SER 94 N 0.31 0.00 0.00 1.62 0.87 -1.38 -3.48 113.55 111.49 1m5z h SER 94 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1m5z h SER 94 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1m5z h SER 94 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1m5z n GLY 95 N -0.64 0.50 0.00 5.77 0.00 -1.26 -4.08 105.19 105.48 1m5z n GLY 95 Ca -0.00 -1.53 0.10 0.00 0.00 0.00 0.00 46.02 44.59 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 0.73 0.02 -4.08 1.61 5.03 -1.26 -4.33 115.26 112.98 1m5z n ASN 96 Ca 0.00 0.50 -0.10 0.00 0.87 0.00 0.00 54.58 55.86 1m5z n ASN 96 Cb 0.00 -0.51 -0.11 0.00 -1.02 0.00 0.00 39.78 38.15 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1m5z s LYS 97 N -3.01 0.58 -0.31 3.52 1.02 -1.26 -0.53 119.74 119.76 1m5z s LYS 97 Ca 0.09 -1.02 -0.03 0.00 0.02 0.00 0.00 55.97 55.04 1m5z s LYS 97 Cb 0.13 -0.01 0.11 0.00 -0.52 0.00 0.00 37.83 37.54 1m5z s LYS 97 CO 0.37 -0.04 0.15 -1.17 -0.92 0.00 0.00 175.35 173.73 1m5z s LEU 98 N -2.35 0.72 -0.29 3.17 0.20 0.16 -4.56 118.68 115.73 1m5z s LEU 98 Ca -0.01 -1.53 -0.15 0.00 0.69 0.00 0.00 54.13 53.13 1m5z s LEU 98 Cb -0.00 -0.38 -0.03 0.00 -0.43 0.00 0.00 46.19 45.34 1m5z s LEU 98 CO -0.05 -0.41 0.37 -0.62 -0.29 0.00 0.00 176.35 175.36 1m5z s ASP 99 N 1.82 6.23 0.16 3.68 -1.08 -1.26 -1.08 116.67 125.14 1m5z s ASP 99 Ca 0.11 0.14 -0.12 0.00 -0.52 0.00 0.00 52.55 52.17 1m5z s ASP 99 Cb -0.18 -2.21 0.01 0.00 -1.46 0.00 0.00 42.92 39.08 1m5z s ASP 99 CO -0.27 -0.23 0.34 -1.48 0.52 0.00 0.00 175.17 174.05 1m5z s LEU 100 N 2.06 0.75 -0.33 -1.34 0.05 0.97 0.11 118.68 120.95 1m5z s LEU 100 Ca 0.14 -0.69 -0.04 0.00 0.05 0.00 0.00 54.13 53.58 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 -0.91 0.07 -0.69 -0.55 0.00 0.00 176.35 174.38 1m5z s VAL 101 N -3.91 3.41 0.40 1.48 1.01 0.11 0.74 120.40 123.64 1m5z s VAL 101 Ca 0.12 -1.31 0.08 0.00 0.00 0.00 0.00 61.98 60.86 1m5z s VAL 101 Cb 0.02 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1m5z s VAL 101 CO -0.03 -0.19 0.52 0.27 0.00 0.00 0.00 175.10 175.67 1m5z s ILE 102 N 1.32 3.26 -0.05 2.22 -5.25 -0.88 0.12 121.20 121.93 1m5z s ILE 102 Ca -0.02 -1.03 -0.02 0.00 -0.99 0.00 0.00 60.65 58.58 1m5z s ILE 102 Cb -0.20 -3.11 0.04 0.00 2.95 0.00 0.00 42.46 42.14 1m5z s ILE 102 CO 0.01 -0.04 0.11 -0.94 -1.79 0.00 0.00 174.94 172.28 1m5z s SER 103 N -4.28 -0.03 -0.03 4.36 1.04 0.41 -1.39 113.70 113.78 1m5z s SER 103 Ca 0.52 0.22 -0.01 0.00 0.48 0.00 0.00 55.95 57.16 1m5z s SER 103 Cb -0.09 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.17 1m5z s SER 103 CO 0.32 -0.15 0.04 0.00 0.98 0.00 0.00 173.24 174.43 1m5z s ARG 104 N 1.18 -0.01 0.19 4.02 1.70 -0.91 0.35 118.95 125.47 1m5z s ARG 104 Ca -0.09 0.27 -0.30 0.00 -0.47 0.00 0.00 55.73 55.14 1m5z s ARG 104 Cb -0.12 -0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 33.76 1m5z s ARG 104 CO -0.05 -0.25 1.33 0.54 -1.08 0.00 0.00 175.30 175.79 1m5z s ASN 105 N 1.63 6.86 0.00 -2.89 2.20 -1.26 -2.11 114.94 119.36 1m5z s ASN 105 Ca -0.02 2.42 0.14 0.00 -0.94 0.00 0.00 52.86 54.46 1m5z s ASN 105 Cb -0.13 -2.61 0.86 0.00 -2.00 0.00 0.00 41.25 37.37 1m5z s ASN 105 CO -0.03 -0.56 1.28 -0.81 -2.94 0.00 0.00 177.10 174.04