#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5z n PRO 17 N 0.00 0.00 0.13 1.43 -0.04 -1.26 -4.88 135.00 130.38 1m5z n PRO 17 Ca 0.00 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1m5z n PRO 17 Cb 0.00 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1m5z n PRO 17 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1m5z n THR 18 N -1.30 0.00 -1.67 0.52 -1.04 -1.26 -4.97 114.28 104.56 1m5z n THR 18 Ca 0.00 0.00 -0.47 0.00 -2.04 0.00 0.00 64.05 61.54 1m5z n THR 18 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 -3.20 2.04 -0.99 -2.82 -0.04 -1.26 -4.39 135.00 124.34 1m5z n PRO 19 Ca 0.00 0.74 -0.36 0.00 -0.04 0.00 0.00 63.50 63.84 1m5z n PRO 19 Cb 0.00 -2.51 0.04 0.00 -0.04 0.00 0.00 33.50 30.99 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 3.82 0.00 -4.34 0.52 0.24 -1.26 -4.74 118.33 112.57 1m5z n VAL 20 Ca 0.19 -0.47 -0.32 0.00 -2.04 0.00 0.00 64.34 61.70 1m5z n VAL 20 Cb 0.28 -0.02 -0.16 0.00 -1.47 0.00 0.00 33.84 32.46 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 -2.06 2.77 0.39 7.34 2.02 0.25 -4.73 118.70 124.67 1m5z s GLU 21 Ca 0.41 -0.75 -0.27 0.00 0.02 0.00 0.00 54.97 54.37 1m5z s GLU 21 Cb -0.17 -2.35 -0.10 0.00 0.10 0.00 0.00 34.13 31.61 1m5z s GLU 21 CO 0.82 -0.13 1.46 -0.51 0.02 0.00 0.00 175.26 176.92 1m5z s LEU 22 N 1.12 4.28 -0.24 1.80 1.43 -1.26 -2.11 118.68 123.71 1m5z s LEU 22 Ca -0.01 3.00 -0.03 0.00 -1.03 0.00 0.00 54.13 56.07 1m5z s LEU 22 Cb -0.14 -3.73 0.11 0.00 0.03 0.00 0.00 46.19 42.46 1m5z s LEU 22 CO -0.07 -0.93 0.26 -1.00 0.23 0.00 0.00 176.35 174.85 1m5z s HIS 23 N -1.14 -0.40 -0.38 0.29 3.76 0.25 -4.95 115.29 112.72 1m5z s HIS 23 Ca 0.54 0.15 -0.28 0.00 -0.15 0.00 0.00 55.06 55.32 1m5z s HIS 23 Cb -0.45 -0.35 -0.00 0.00 1.11 0.00 0.00 32.58 32.88 1m5z s HIS 23 CO 0.61 -0.73 1.61 -1.59 -0.85 0.00 0.00 174.74 173.80 1m5z s LYS 24 N 2.36 3.42 -0.03 1.40 -2.85 -1.26 -2.18 119.74 120.61 1m5z s LYS 24 Ca 0.09 1.15 0.05 0.00 -1.00 0.00 0.00 55.97 56.26 1m5z s LYS 24 Cb -0.15 -4.12 -0.03 0.00 -2.06 0.00 0.00 37.83 31.47 1m5z s LYS 24 CO -0.20 -1.75 -0.16 0.14 0.10 0.00 0.00 175.35 173.48 1m5z s VAL 25 N 6.27 2.95 -0.24 1.79 -7.23 0.81 -4.99 120.40 119.77 1m5z s VAL 25 Ca 0.70 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 60.00 1m5z s VAL 25 Cb -0.18 -2.17 0.07 0.00 0.56 0.00 0.00 36.38 34.67 1m5z s VAL 25 CO 0.33 0.53 0.05 -0.89 -0.31 0.00 0.00 175.10 174.80 1m5z s THR 26 N -0.78 0.71 0.44 5.32 2.01 -1.25 -0.41 115.64 121.68 1m5z s THR 26 Ca 0.12 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.29 1m5z s THR 26 Cb -0.11 -1.30 0.06 0.00 0.01 0.00 0.00 72.50 71.16 1m5z s THR 26 CO 0.02 -0.36 0.47 0.18 -0.69 0.00 0.00 174.62 174.23 1m5z n LEU 27 N 4.96 0.00 -4.10 4.42 4.77 -0.41 -4.85 117.00 121.78 1m5z n LEU 27 Ca -0.07 -2.11 -0.12 0.00 -0.03 0.00 0.00 56.01 53.68 1m5z n LEU 27 Cb 0.45 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 1m5z n LEU 27 CO 0.13 -0.59 -0.40 -0.31 -1.33 0.00 0.00 177.39 174.89 1m5z s TYR 28 N -1.99 0.76 0.34 -1.77 1.51 -1.26 0.15 117.35 115.10 1m5z s TYR 28 Ca 0.35 -0.65 0.09 0.00 -1.01 0.00 0.00 57.07 55.86 1m5z s TYR 28 Cb -0.03 -0.45 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 1m5z s TYR 28 CO 0.22 -0.10 0.01 0.21 -1.11 0.00 0.00 175.55 174.78 1m5z s LYS 29 N -2.39 2.07 0.13 -0.62 2.20 -0.76 -4.75 119.74 115.62 1m5z s LYS 29 Ca -0.02 -1.75 0.04 0.00 -0.36 0.00 0.00 55.97 53.89 1m5z s LYS 29 Cb -0.05 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.31 1m5z s LYS 29 CO -0.01 0.14 0.10 0.34 -0.36 0.00 0.00 175.35 175.55 1m5z s ASP 30 N -3.71 5.44 0.55 1.43 2.15 -1.26 -4.75 116.67 116.52 1m5z s ASP 30 Ca 0.35 -0.11 0.28 0.00 0.43 0.00 0.00 52.55 53.50 1m5z s ASP 30 Cb -0.00 -1.41 1.45 0.00 -0.30 0.00 0.00 42.92 42.66 1m5z s ASP 30 CO 0.19 0.11 1.95 -1.28 -0.17 0.00 0.00 175.17 175.97 1m5z h SER 31 N 2.80 0.00 -0.35 -0.34 0.87 -2.01 -2.44 113.55 112.08 1m5z h SER 31 Ca -0.47 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 59.83 1m5z h SER 31 Cb 1.19 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.78 1m5z h SER 31 CO 0.63 0.00 -0.99 0.61 -0.53 0.00 0.00 176.83 176.56 1m5z n GLY 32 N -1.62 2.76 3.82 5.77 0.00 -1.26 -5.09 105.19 109.57 1m5z n GLY 32 Ca 0.11 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1m5z n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1m5z s MET 33 N -2.81 4.21 0.01 1.61 1.75 -0.92 -4.98 119.30 118.17 1m5z s MET 33 Ca 0.34 1.02 0.23 0.00 -1.25 0.00 0.00 55.69 56.03 1m5z s MET 33 Cb 0.36 -2.34 0.04 0.00 2.84 0.00 0.00 34.83 35.72 1m5z s MET 33 CO -0.06 0.07 1.07 0.39 -0.65 0.00 0.00 175.02 175.84 1m5z n GLU 34 N -0.38 0.06 -3.89 4.11 -0.58 -1.26 -4.91 120.64 113.79 1m5z n GLU 34 Ca 0.05 -0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.69 1m5z n GLU 34 Cb 0.53 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.88 1m5z n GLU 34 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1m5z s ASP 35 N -3.17 0.12 -0.36 1.62 2.15 -1.26 -5.04 116.67 110.72 1m5z s ASP 35 Ca 0.08 -1.09 0.08 0.00 0.43 0.00 0.00 52.55 52.05 1m5z s ASP 35 Cb 0.16 0.76 0.68 0.00 -0.30 0.00 0.00 42.92 44.22 1m5z s ASP 35 CO 0.81 -1.49 1.79 0.33 -0.17 0.00 0.00 175.17 176.44 1m5z n PHE 36 N -0.51 2.47 -0.72 -5.34 -0.00 -1.26 -4.79 117.46 107.31 1m5z n PHE 36 Ca -0.05 -1.50 0.00 0.00 -0.00 0.00 0.00 57.45 55.90 1m5z n PHE 36 Cb 0.60 -0.75 0.00 0.00 -0.00 0.00 0.00 39.48 39.33 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 -0.70 0.74 3.64 7.13 0.00 -1.26 -3.76 105.19 110.99 1m5z n GLY 37 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.68 -0.27 0.14 1.61 -0.71 -1.26 -0.08 117.98 114.74 1m5z s PHE 38 Ca 0.00 0.63 0.05 0.00 -1.04 0.00 0.00 56.93 56.57 1m5z s PHE 38 Cb 0.00 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 1m5z s PHE 38 CO 0.00 -0.15 0.07 -1.12 -1.34 0.00 0.00 175.22 172.68 1m5z s SER 39 N -0.07 5.21 0.34 1.98 0.01 0.12 -4.96 113.70 116.34 1m5z s SER 39 Ca 0.05 -0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.20 1m5z s SER 39 Cb -0.04 -1.28 -0.06 0.00 0.21 0.00 0.00 66.02 64.85 1m5z s SER 39 CO -0.09 0.10 -0.06 0.68 0.41 0.00 0.00 173.24 174.29 1m5z s VAL 40 N -1.63 2.38 0.00 3.43 -7.23 -1.26 0.18 120.40 116.27 1m5z s VAL 40 Ca 0.29 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1m5z s VAL 40 Cb -0.10 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1m5z s VAL 40 CO 0.21 -0.20 -0.10 0.00 -0.31 0.00 0.00 175.10 174.70 1m5z s ALA 41 N -2.58 0.81 1.05 1.32 0.00 0.31 -4.65 121.76 118.02 1m5z s ALA 41 Ca 0.33 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.67 1m5z s ALA 41 Cb 0.02 -0.17 0.15 0.00 0.00 0.00 0.00 23.12 23.11 1m5z s ALA 41 CO 0.18 0.18 0.63 -0.40 0.00 0.00 0.00 175.76 176.34 1m5z n ASP 42 N 2.60 -1.54 -4.49 0.00 5.75 -1.26 -1.40 116.55 116.20 1m5z n ASP 42 Ca -0.15 0.10 -0.33 0.00 -0.01 0.00 0.00 54.79 54.41 1m5z n ASP 42 Cb 0.56 -1.22 -0.13 0.00 -1.03 0.00 0.00 41.12 39.31 1m5z n ASP 42 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1m5z s GLY 43 N -2.21 1.56 -0.17 6.12 0.00 0.29 -4.74 107.32 108.17 1m5z s GLY 43 Ca 0.62 -0.99 -0.14 0.00 0.00 0.00 0.00 44.72 44.21 1m5z s GLY 43 CO 0.64 -0.79 -0.22 1.04 0.00 0.00 0.00 173.10 173.77 1m5z n LEU 44 N 2.21 1.88 0.06 0.66 4.77 -1.26 -3.79 117.00 121.52 1m5z n LEU 44 Ca -0.17 0.48 -0.22 0.00 -0.03 0.00 0.00 56.01 56.06 1m5z n LEU 44 Cb 0.52 -0.83 -0.15 0.00 -2.33 0.00 0.00 43.42 40.64 1m5z n LEU 44 CO 0.26 -0.25 -0.37 0.17 -1.33 0.00 0.00 177.39 175.87 1m5z h LEU 45 N -1.00 0.55 -1.22 2.23 -0.00 -2.00 -3.32 115.31 110.55 1m5z h LEU 45 Ca -0.09 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 56.88 1m5z h LEU 45 Cb 0.86 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1m5z h LEU 45 CO -0.05 1.66 0.00 -0.62 -0.00 0.00 0.00 178.44 179.43 1m5z n GLU 46 N -3.81 1.79 -2.00 0.17 1.02 -1.26 -4.97 120.64 111.58 1m5z n GLU 46 Ca -0.22 -1.14 -0.12 0.00 -0.02 0.00 0.00 57.16 55.65 1m5z n GLU 46 Cb 0.98 -1.28 0.01 0.00 -0.02 0.00 0.00 31.44 31.13 1m5z n GLU 46 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1m5z n LYS 47 N 0.41 -0.59 0.00 3.49 -0.00 -1.25 -4.83 118.16 115.39 1m5z n LYS 47 Ca 0.11 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 1m5z n LYS 47 Cb 0.29 -0.65 0.00 0.00 -0.00 0.00 0.00 35.03 34.68 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 -0.20 2.32 3.47 2.58 0.00 -1.24 -4.05 105.19 108.06 1m5z n GLY 48 Ca -0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 0.56 -0.00 0.05 1.61 1.01 -1.25 0.10 120.40 122.48 1m5z s VAL 49 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1m5z s VAL 49 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1m5z s VAL 49 CO 0.00 0.00 -0.04 -0.31 0.00 0.00 0.00 175.10 174.75 1m5z s TYR 50 N 0.49 0.54 0.01 5.22 2.02 -0.50 -2.22 117.35 122.92 1m5z s TYR 50 Ca -0.02 -0.85 -0.30 0.00 -0.37 0.00 0.00 57.07 55.54 1m5z s TYR 50 Cb -0.04 -0.37 -0.07 0.00 -0.40 0.00 0.00 41.96 41.08 1m5z s TYR 50 CO -0.02 -0.26 1.77 0.08 -1.57 0.00 0.00 175.55 175.55 1m5z s VAL 51 N -2.99 3.25 -0.04 0.71 1.01 -1.08 0.11 120.40 121.37 1m5z s VAL 51 Ca 0.00 0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.51 1m5z s VAL 51 Cb 0.01 -3.26 -0.23 0.00 0.00 0.00 0.00 36.38 32.90 1m5z s VAL 51 CO -0.06 -0.03 0.66 0.07 0.00 0.00 0.00 175.10 175.74 1m5z h LYS 52 N 9.62 0.02 -2.47 2.72 2.10 0.16 -2.10 116.57 126.62 1m5z h LYS 52 Ca -0.44 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.15 1m5z h LYS 52 Cb 1.20 0.01 -0.16 0.00 -0.90 0.00 0.00 32.23 32.39 1m5z h LYS 52 CO 0.94 0.55 0.21 -0.80 -2.00 0.00 0.00 179.45 178.36 1m5z s ASN 53 N -6.16 -0.60 -0.06 7.07 0.01 -0.99 -4.96 114.94 109.24 1m5z s ASN 53 Ca -0.06 0.35 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 1m5z s ASN 53 Cb 0.08 0.56 0.02 0.00 0.41 0.00 0.00 41.25 42.32 1m5z s ASN 53 CO 0.82 -0.78 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.96 1m5z s ILE 54 N -2.45 0.62 -0.17 0.60 1.01 -1.26 0.15 121.20 119.70 1m5z s ILE 54 Ca -0.05 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1m5z s ILE 54 Cb -0.01 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 1m5z s ILE 54 CO -0.02 0.27 1.83 -0.13 0.00 0.00 0.00 174.94 176.89 1m5z s ARG 55 N 1.26 3.70 0.01 2.79 0.52 0.89 -4.91 118.95 123.20 1m5z s ARG 55 Ca -0.05 1.93 -0.35 0.00 -0.52 0.00 0.00 55.73 56.74 1m5z s ARG 55 Cb -0.14 -4.14 -0.14 0.00 0.52 0.00 0.00 34.95 31.05 1m5z s ARG 55 CO -0.02 -1.43 1.69 -2.30 0.02 0.00 0.00 175.30 173.26 1m5z n PRO 56 N 7.91 1.94 0.00 3.54 -0.02 -1.26 -0.91 135.00 146.19 1m5z n PRO 56 Ca 0.22 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1m5z n PRO 56 Cb 0.44 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 4.79 0.00 -0.28 3.55 0.00 -1.26 -5.01 120.51 122.30 1m5z n ALA 57 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 1m5z n ALA 57 Cb 0.26 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.22 -3.75 0.41 0.00 0.00 -0.09 -4.34 105.19 97.19 1m5z n GLY 58 Ca 0.00 -1.21 0.20 0.00 0.00 0.00 0.00 46.02 45.01 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 0.36 -0.31 1.61 0.11 -1.83 -0.69 132.00 131.24 1m5z h PRO 59 Ca -0.36 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1m5z h PRO 59 Cb 1.23 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1m5z h PRO 59 CO 0.22 0.24 0.19 0.78 -0.21 0.00 0.00 178.00 179.21 1m5z h GLY 60 N 0.37 0.45 1.78 -0.55 0.00 -1.68 -1.40 103.07 102.05 1m5z h GLY 60 Ca 0.47 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.45 1m5z h GLY 60 CO -0.17 0.19 -0.70 -1.80 0.00 0.00 0.00 176.54 174.05 1m5z h ASP 61 N 0.40 0.26 -0.12 0.19 3.58 -1.46 -1.51 116.42 117.77 1m5z h ASP 61 Ca 0.11 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 1m5z h ASP 61 Cb 0.02 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1m5z h ASP 61 CO -0.02 0.88 -0.01 -0.07 -2.88 0.00 0.00 179.24 177.13 1m5z h LEU 62 N 0.15 0.31 0.06 2.28 3.38 -0.86 -3.17 115.31 117.46 1m5z h LEU 62 Ca -0.02 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 1m5z h LEU 62 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1m5z h LEU 62 CO 0.11 0.38 -1.16 1.23 0.09 0.00 0.00 178.44 179.09 1m5z h GLY 63 N 0.66 0.14 0.00 0.83 0.00 -1.15 -3.49 103.07 100.06 1m5z h GLY 63 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1m5z h GLY 63 CO 0.01 0.32 0.00 0.61 0.00 0.00 0.00 176.54 177.48 1m5z n GLY 64 N 1.63 1.55 3.78 4.60 0.00 -0.64 -5.00 105.19 111.11 1m5z n GLY 64 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 4.12 0.21 0.99 1.43 -0.78 -5.05 118.68 119.60 1m5z s LEU 65 Ca 0.00 2.11 0.08 0.00 -1.03 0.00 0.00 54.13 55.29 1m5z s LEU 65 Cb 0.00 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 1m5z s LEU 65 CO 0.00 -0.59 -0.16 -0.54 0.23 0.00 0.00 176.35 175.30 1m5z s LYS 66 N -2.52 1.35 0.40 1.70 1.02 -1.26 -4.85 119.74 115.57 1m5z s LYS 66 Ca 0.59 -1.57 -0.26 0.00 0.02 0.00 0.00 55.97 54.74 1m5z s LYS 66 Cb -0.24 -1.22 -0.11 0.00 -0.52 0.00 0.00 37.83 35.75 1m5z s LYS 66 CO 0.30 0.21 1.31 -0.35 -0.92 0.00 0.00 175.35 175.90 1m5z n PRO 67 N -0.29 2.08 -0.78 -1.68 -0.04 -1.26 -2.07 135.00 130.97 1m5z n PRO 67 Ca -0.09 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1m5z n PRO 67 Cb 0.60 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1m5z n PRO 67 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m5z n TYR 68 N 0.01 0.00 -1.38 0.54 4.01 -0.79 -4.81 117.16 114.73 1m5z n TYR 68 Ca 0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.70 1m5z n TYR 68 Cb 0.39 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.34 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 0.17 -4.57 7.72 9.92 -0.88 -4.42 116.55 124.49 1m5z n ASP 69 Ca 0.00 -2.08 -0.40 0.00 -0.53 0.00 0.00 54.79 51.78 1m5z n ASP 69 Cb 0.00 -1.34 -0.03 0.00 -0.64 0.00 0.00 41.12 39.11 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 7.35 2.79 -0.33 -1.24 3.52 -0.69 -2.63 118.95 127.72 1m5z s ARG 70 Ca 0.55 1.11 -0.28 0.00 -0.13 0.00 0.00 55.73 56.99 1m5z s ARG 70 Cb -0.04 -4.36 -0.04 0.00 -1.56 0.00 0.00 34.95 28.94 1m5z s ARG 70 CO 0.13 -2.51 2.10 -0.51 -0.81 0.00 0.00 175.30 173.70 1m5z s LEU 71 N 8.90 3.44 -0.03 -0.88 1.02 -0.94 -1.72 118.68 128.46 1m5z s LEU 71 Ca 0.79 1.45 -0.01 0.00 0.02 0.00 0.00 54.13 56.38 1m5z s LEU 71 Cb -0.18 -3.25 -0.00 0.00 0.02 0.00 0.00 46.19 42.77 1m5z s LEU 71 CO 0.27 -2.09 -0.02 -0.07 0.02 0.00 0.00 176.35 174.45 1m5z h LEU 72 N 15.61 0.00 -8.05 1.79 3.38 -1.23 -3.25 115.31 123.55 1m5z h LEU 72 Ca -0.35 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.95 1m5z h LEU 72 Cb 1.22 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.63 1m5z h LEU 72 CO 1.04 0.17 -0.75 0.00 0.09 0.00 0.00 178.44 178.99 1m5z s GLN 73 N -1.25 2.60 -0.22 1.13 -2.07 -1.19 0.11 119.66 118.77 1m5z s GLN 73 Ca -0.02 -1.13 -0.08 0.00 -1.82 0.00 0.00 55.36 52.31 1m5z s GLN 73 Cb 0.00 -3.01 -0.04 0.00 -1.09 0.00 0.00 33.01 28.88 1m5z s GLN 73 CO 0.03 -0.49 0.09 0.08 -1.32 0.00 0.00 175.29 173.68 1m5z s VAL 74 N 1.26 4.75 -1.36 3.63 1.01 0.22 -1.93 120.40 127.98 1m5z s VAL 74 Ca -0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1m5z s VAL 74 Cb -0.18 -3.19 0.12 0.00 0.00 0.00 0.00 36.38 33.13 1m5z s VAL 74 CO -0.04 0.39 0.53 0.59 0.00 0.00 0.00 175.10 176.57 1m5z n ASN 75 N 4.21 -2.91 0.00 3.32 5.03 0.47 0.12 115.26 125.50 1m5z n ASN 75 Ca -0.16 -0.61 0.00 0.00 0.87 0.00 0.00 54.58 54.68 1m5z n ASN 75 Cb 0.52 -2.44 0.00 0.00 -1.02 0.00 0.00 39.78 36.84 1m5z n ASN 75 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1m5z n HIS 76 N -3.90 0.00 -2.91 3.10 -0.00 -1.26 -5.01 115.22 105.24 1m5z n HIS 76 Ca 0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.36 1m5z n HIS 76 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 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 -1.58 4.64 0.23 3.57 1.01 0.33 -5.02 120.40 123.58 1m5z s VAL 77 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1m5z s VAL 77 Cb 0.00 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1m5z s VAL 77 CO 0.00 0.36 1.29 -0.13 0.00 0.00 0.00 175.10 176.62 1m5z s ARG 78 N -0.11 4.40 0.00 2.72 0.52 -1.26 0.71 118.95 125.93 1m5z s ARG 78 Ca 0.41 2.07 0.10 0.00 -0.52 0.00 0.00 55.73 57.79 1m5z s ARG 78 Cb -0.21 -3.17 0.16 0.00 0.52 0.00 0.00 34.95 32.25 1m5z s ARG 78 CO 0.25 -0.20 1.00 0.25 0.02 0.00 0.00 175.30 176.62 1m5z n THR 79 N 2.13 0.00 -0.03 0.02 -2.24 0.29 -4.84 114.28 109.62 1m5z n THR 79 Ca 0.04 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 1m5z n THR 79 Cb 0.43 0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.38 0.13 -0.63 -0.78 3.08 -1.46 -3.18 114.38 111.92 1m5z h ARG 80 Ca -0.16 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1m5z h ARG 80 Cb 1.54 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1m5z h ARG 80 CO 0.00 0.70 0.00 -0.40 -1.07 0.00 0.00 179.97 179.20 1m5z n ASP 81 N -4.68 3.42 -4.36 7.04 5.75 -1.26 -3.72 116.55 118.74 1m5z n ASP 81 Ca -0.08 -2.36 -0.29 0.00 -0.01 0.00 0.00 54.79 52.06 1m5z n ASP 81 Cb 0.36 -0.50 0.15 0.00 -1.03 0.00 0.00 41.12 40.10 1m5z n ASP 81 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1m5z s PHE 82 N -1.82 1.86 0.27 2.11 0.40 -1.20 -4.72 117.98 114.88 1m5z s PHE 82 Ca 0.33 0.30 0.10 0.00 -0.60 0.00 0.00 56.93 57.06 1m5z s PHE 82 Cb 0.22 -3.82 -0.04 0.00 0.51 0.00 0.00 43.02 39.89 1m5z s PHE 82 CO 0.15 -2.32 -0.02 -0.51 0.70 0.00 0.00 175.22 173.21 1m5z s ASP 83 N -4.81 4.43 0.42 1.36 1.11 -1.26 -3.99 116.67 113.93 1m5z s ASP 83 Ca 0.70 -0.71 0.18 0.00 0.18 0.00 0.00 52.55 52.91 1m5z s ASP 83 Cb -0.05 -0.76 1.11 0.00 1.07 0.00 0.00 42.92 44.28 1m5z s ASP 83 CO 0.51 -0.02 1.85 0.00 1.18 0.00 0.00 175.17 178.69 1m5z n LEU 86 N -3.23 0.84 0.11 0.00 0.00 0.24 -4.16 117.00 110.79 1m5z n LEU 86 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 56.01 55.90 1m5z n LEU 86 Cb 0.34 0.10 -0.14 0.00 0.00 0.00 0.00 43.42 43.72 1m5z n LEU 86 CO 0.29 0.58 -0.08 0.58 0.00 0.00 0.00 177.39 178.76 1m5z h VAL 87 N 0.00 1.46 -0.78 1.96 2.07 -0.26 -2.67 116.25 118.03 1m5z h VAL 87 Ca -0.50 -2.99 -0.02 0.00 0.82 0.00 0.00 66.70 64.02 1m5z h VAL 87 Cb 2.13 2.96 -0.04 0.00 -1.52 0.00 0.00 31.29 34.82 1m5z h VAL 87 CO 0.02 0.88 0.41 1.62 0.02 0.00 0.00 177.57 180.52 1m5z h VAL 88 N 0.09 1.24 -0.04 2.57 3.04 -1.08 -1.37 116.25 120.70 1m5z h VAL 88 Ca -0.16 -0.62 -0.11 0.00 -1.01 0.00 0.00 66.70 64.80 1m5z h VAL 88 Cb 2.01 0.21 0.01 0.00 -2.01 0.00 0.00 31.29 31.51 1m5z h VAL 88 CO 0.22 0.27 -0.40 1.55 -1.01 0.00 0.00 177.57 178.20 1m5z h PRO 89 N 1.09 0.34 -0.52 4.17 0.13 -1.72 -2.42 132.00 133.07 1m5z h PRO 89 Ca 0.27 -0.31 0.15 0.00 -0.87 0.00 0.00 66.00 65.24 1m5z h PRO 89 Cb 0.06 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1m5z h PRO 89 CO -0.04 0.98 0.39 -0.07 -0.23 0.00 0.00 178.00 179.03 1m5z h LEU 90 N -0.19 0.00 0.05 1.56 3.38 -1.39 0.14 115.31 118.86 1m5z h LEU 90 Ca -0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1m5z h LEU 90 Cb 1.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1m5z h LEU 90 CO 0.08 0.00 -0.38 0.40 0.09 0.00 0.00 178.44 178.63 1m5z h ILE 91 N 0.00 1.61 0.00 1.22 2.04 -1.21 -3.04 117.51 118.13 1m5z h ILE 91 Ca 0.25 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1m5z h ILE 91 Cb 1.02 3.09 0.00 0.00 -0.74 0.00 0.00 36.82 40.20 1m5z h ILE 91 CO -0.00 0.62 0.00 0.00 0.00 0.00 0.00 178.15 178.77 1m5z n ALA 92 N -2.61 2.15 0.39 1.87 0.00 -0.43 -2.63 120.51 119.25 1m5z n ALA 92 Ca -0.11 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.26 1m5z n ALA 92 Cb 0.61 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.20 0.54 0.20 0.00 0.28 0.37 -4.51 120.64 116.32 1m5z n GLU 93 Ca 0.12 -0.99 0.14 0.00 -0.16 0.00 0.00 57.16 56.27 1m5z n GLU 93 Cb 0.14 -1.16 0.68 0.00 1.43 0.00 0.00 31.44 32.53 1m5z n GLU 93 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1m5z h SER 94 N 1.71 0.00 0.00 -1.84 0.02 -1.38 -3.48 113.55 108.57 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 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1m5z h SER 94 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1m5z n GLY 95 N -0.64 0.15 0.00 -3.77 0.00 -1.26 -4.23 105.19 95.44 1m5z n GLY 95 Ca -0.00 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 0.08 0.00 -3.94 1.61 5.03 -1.26 -4.00 115.26 112.78 1m5z n ASN 96 Ca 0.00 0.33 -0.10 0.00 0.87 0.00 0.00 54.58 55.68 1m5z n ASN 96 Cb 0.00 -0.43 -0.11 0.00 -1.02 0.00 0.00 39.78 38.22 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 -2.85 0.28 -0.34 3.52 1.02 -1.26 -1.84 119.74 118.27 1m5z s LYS 97 Ca 0.13 -0.44 -0.00 0.00 0.02 0.00 0.00 55.97 55.68 1m5z s LYS 97 Cb 0.13 0.11 0.11 0.00 -0.52 0.00 0.00 37.83 37.66 1m5z s LYS 97 CO 0.34 -0.05 0.13 -1.17 -0.92 0.00 0.00 175.35 173.68 1m5z s LEU 98 N -1.13 2.22 -0.29 3.17 0.20 0.12 -4.65 118.68 118.32 1m5z s LEU 98 Ca -0.12 -1.86 -0.17 0.00 0.69 0.00 0.00 54.13 52.67 1m5z s LEU 98 Cb -0.08 -0.86 -0.02 0.00 -0.43 0.00 0.00 46.19 44.80 1m5z s LEU 98 CO -0.00 -0.38 0.48 -1.81 -0.29 0.00 0.00 176.35 174.35 1m5z s ASP 99 N 1.35 6.35 0.04 3.68 1.11 -1.26 -1.29 116.67 126.66 1m5z s ASP 99 Ca 0.12 0.29 -0.14 0.00 0.18 0.00 0.00 52.55 53.00 1m5z s ASP 99 Cb -0.19 -2.26 0.02 0.00 1.07 0.00 0.00 42.92 41.56 1m5z s ASP 99 CO -0.19 -0.33 0.30 -1.48 1.18 0.00 0.00 175.17 174.65 1m5z s LEU 100 N 2.29 0.90 -0.33 1.23 0.05 0.45 -0.39 118.68 122.87 1m5z s LEU 100 Ca 0.19 -0.20 -0.05 0.00 0.05 0.00 0.00 54.13 54.12 1m5z s LEU 100 Cb -0.16 1.34 0.05 0.00 -2.05 0.00 0.00 46.19 45.37 1m5z s LEU 100 CO 0.11 -0.62 0.08 -0.69 -0.55 0.00 0.00 176.35 174.68 1m5z s VAL 101 N -2.56 3.48 0.35 1.48 1.01 -0.81 -0.14 120.40 123.21 1m5z s VAL 101 Ca -0.05 -1.29 0.07 0.00 0.00 0.00 0.00 61.98 60.72 1m5z s VAL 101 Cb -0.01 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1m5z s VAL 101 CO -0.03 -0.20 0.33 0.27 0.00 0.00 0.00 175.10 175.46 1m5z s ILE 102 N 1.33 3.39 -0.05 2.22 -5.25 -0.93 -0.82 121.20 121.10 1m5z s ILE 102 Ca -0.02 -1.34 0.01 0.00 -0.99 0.00 0.00 60.65 58.31 1m5z s ILE 102 Cb -0.20 -3.16 0.02 0.00 2.95 0.00 0.00 42.46 42.07 1m5z s ILE 102 CO 0.01 -0.14 -0.05 -0.94 -1.79 0.00 0.00 174.94 172.04 1m5z s SER 103 N -4.04 1.03 -0.04 4.36 1.04 -0.70 0.84 113.70 116.19 1m5z s SER 103 Ca 0.43 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.76 1m5z s SER 103 Cb -0.06 -0.47 -0.00 0.00 0.10 0.00 0.00 66.02 65.59 1m5z s SER 103 CO 0.27 -0.06 -0.15 -0.60 0.98 0.00 0.00 173.24 173.69 1m5z s ARG 104 N 0.96 1.53 -0.40 4.02 3.52 -0.90 -1.70 118.95 125.98 1m5z s ARG 104 Ca -0.10 -0.53 -0.17 0.00 -0.13 0.00 0.00 55.73 54.80 1m5z s ARG 104 Cb -0.14 -1.36 0.01 0.00 -1.56 0.00 0.00 34.95 31.90 1m5z s ARG 104 CO -0.00 0.22 0.42 0.54 -0.81 0.00 0.00 175.30 175.66 1m5z s ASN 105 N 0.05 6.19 0.00 -2.12 2.20 -1.26 0.84 114.94 120.84 1m5z s ASN 105 Ca -0.03 -0.54 0.26 0.00 -0.94 0.00 0.00 52.86 51.61 1m5z s ASN 105 Cb -0.10 -2.22 1.55 0.00 -2.00 0.00 0.00 41.25 38.48 1m5z s ASN 105 CO 0.01 -0.51 1.90 -0.81 -2.94 0.00 0.00 177.10 174.76