#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 -2.57 -1.46 -0.02 -1.26 -4.83 135.00 124.86 1m5z n PRO 17 Ca 0.00 0.45 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 1m5z n PRO 17 Cb 0.00 -1.17 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 1m5z n PRO 17 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1m5z s THR 18 N -1.73 3.76 0.00 3.45 2.01 -1.26 -5.05 115.64 116.82 1m5z s THR 18 Ca 0.00 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.39 1m5z s THR 18 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1m5z s THR 18 CO 0.00 0.05 0.00 -2.65 -0.69 0.00 0.00 174.62 171.33 1m5z n PRO 19 N 0.11 1.04 -1.58 4.92 -0.02 -1.26 -4.36 135.00 133.85 1m5z n PRO 19 Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 1m5z n PRO 19 Cb 0.49 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.00 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 -1.00 2.70 -3.99 -1.45 0.24 -1.26 -4.41 118.33 109.16 1m5z n VAL 20 Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.34 61.45 1m5z n VAL 20 Cb 0.00 -1.06 -0.13 0.00 -1.47 0.00 0.00 33.84 31.18 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 -2.19 3.54 0.47 7.34 0.41 0.10 -4.72 118.70 123.65 1m5z s GLU 21 Ca 0.67 -0.55 -0.24 0.00 -0.41 0.00 0.00 54.97 54.44 1m5z s GLU 21 Cb -0.51 -3.08 -0.07 0.00 -1.78 0.00 0.00 34.13 28.69 1m5z s GLU 21 CO 0.54 -0.08 1.36 -0.51 -0.49 0.00 0.00 175.26 176.07 1m5z s LEU 22 N 1.24 4.03 -0.25 1.80 1.43 -1.26 -2.11 118.68 123.57 1m5z s LEU 22 Ca 0.03 2.76 -0.03 0.00 -1.03 0.00 0.00 54.13 55.87 1m5z s LEU 22 Cb -0.15 -4.07 0.14 0.00 0.03 0.00 0.00 46.19 42.14 1m5z s LEU 22 CO 0.01 -1.22 0.41 -1.00 0.23 0.00 0.00 176.35 174.77 1m5z s HIS 23 N -1.28 -0.92 -0.49 0.29 3.76 0.74 -4.95 115.29 112.45 1m5z s HIS 23 Ca 0.64 0.98 -0.28 0.00 -0.15 0.00 0.00 55.06 56.26 1m5z s HIS 23 Cb -0.40 0.10 -0.00 0.00 1.11 0.00 0.00 32.58 33.39 1m5z s HIS 23 CO 0.50 -0.72 1.58 0.21 -0.85 0.00 0.00 174.74 175.46 1m5z s LYS 24 N 2.59 3.24 -0.05 1.40 2.20 -1.26 -2.21 119.74 125.64 1m5z s LYS 24 Ca 0.13 0.80 0.01 0.00 -0.36 0.00 0.00 55.97 56.55 1m5z s LYS 24 Cb -0.15 -4.17 -0.03 0.00 -1.51 0.00 0.00 37.83 31.97 1m5z s LYS 24 CO -0.16 -1.99 -0.05 0.14 -0.36 0.00 0.00 175.35 172.93 1m5z s VAL 25 N 6.67 3.84 -0.24 4.02 -7.23 0.51 -4.97 120.40 123.00 1m5z s VAL 25 Ca 0.63 -0.49 -0.02 0.00 -1.81 0.00 0.00 61.98 60.29 1m5z s VAL 25 Cb -0.14 -2.60 0.07 0.00 0.56 0.00 0.00 36.38 34.27 1m5z s VAL 25 CO 0.28 0.55 0.04 -0.89 -0.31 0.00 0.00 175.10 174.77 1m5z s THR 26 N -0.87 0.76 0.55 5.32 2.01 -1.25 -0.15 115.64 122.01 1m5z s THR 26 Ca 0.14 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.32 1m5z s THR 26 Cb -0.11 -1.33 0.07 0.00 0.01 0.00 0.00 72.50 71.14 1m5z s THR 26 CO 0.03 -0.35 0.73 -0.76 -0.69 0.00 0.00 174.62 173.58 1m5z s LEU 27 N 1.73 3.12 -0.02 4.42 1.02 0.33 -4.57 118.68 124.71 1m5z s LEU 27 Ca 0.02 -0.84 0.00 0.00 0.02 0.00 0.00 54.13 53.33 1m5z s LEU 27 Cb -0.17 -1.70 0.02 0.00 0.02 0.00 0.00 46.19 44.36 1m5z s LEU 27 CO -0.14 -1.25 0.00 -0.31 0.02 0.00 0.00 176.35 174.68 1m5z s TYR 28 N -2.64 0.16 0.37 0.29 1.51 -1.26 -0.05 117.35 115.72 1m5z s TYR 28 Ca 0.58 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.69 1m5z s TYR 28 Cb -0.06 -0.24 -0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1m5z s TYR 28 CO 0.37 -0.07 0.57 0.21 -1.11 0.00 0.00 175.55 175.51 1m5z s LYS 29 N 0.66 3.32 -0.08 -0.62 2.20 -0.52 -4.89 119.74 119.82 1m5z s LYS 29 Ca -0.06 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.12 1m5z s LYS 29 Cb -0.09 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 1m5z s LYS 29 CO -0.02 0.02 -0.18 0.34 -0.36 0.00 0.00 175.35 175.16 1m5z s ASP 30 N -4.10 2.42 -0.94 1.43 2.15 -1.26 -4.77 116.67 111.60 1m5z s ASP 30 Ca 0.43 -0.42 -0.26 0.00 0.43 0.00 0.00 52.55 52.72 1m5z s ASP 30 Cb -0.10 -1.04 -0.19 0.00 -0.30 0.00 0.00 42.92 41.29 1m5z s ASP 30 CO 0.36 0.11 2.27 -0.94 -0.17 0.00 0.00 175.17 176.79 1m5z s SER 31 N 0.42 3.57 0.00 -0.34 1.04 -1.26 -1.03 113.70 116.10 1m5z s SER 31 Ca -0.15 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1m5z s SER 31 Cb -0.16 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1m5z s SER 31 CO 0.06 -4.42 0.00 0.61 0.98 0.00 0.00 173.24 170.46 1m5z n GLY 32 N 6.48 0.42 3.92 7.32 0.00 -1.26 -5.15 105.19 116.91 1m5z n GLY 32 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 1.18 -0.00 1.61 -1.94 -0.20 -5.02 119.30 114.94 1m5z s MET 33 Ca 0.00 -0.19 0.08 0.00 -1.71 0.00 0.00 55.69 53.87 1m5z s MET 33 Cb 0.00 -1.89 -0.09 0.00 2.01 0.00 0.00 34.83 34.87 1m5z s MET 33 CO 0.00 -2.08 0.31 -1.91 -0.01 0.00 0.00 175.02 171.33 1m5z n GLU 34 N -3.59 4.18 -2.99 2.03 0.00 -1.26 -4.99 120.64 114.02 1m5z n GLU 34 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 57.16 57.20 1m5z n GLU 34 Cb 0.60 -0.88 0.00 0.00 0.00 0.00 0.00 31.44 31.16 1m5z n GLU 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1m5z n ASP 35 N -1.22 -1.31 -2.14 4.31 8.00 -1.26 -5.04 116.55 117.89 1m5z n ASP 35 Ca 0.01 -2.15 -0.24 0.00 0.71 0.00 0.00 54.79 53.12 1m5z n ASP 35 Cb 0.12 2.25 0.15 0.00 -0.02 0.00 0.00 41.12 43.62 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 -0.37 2.82 -1.11 1.24 3.72 -1.26 -4.81 117.46 117.70 1m5z n PHE 36 Ca -0.03 -1.95 -0.04 0.00 -0.05 0.00 0.00 57.45 55.38 1m5z n PHE 36 Cb 0.40 -0.98 -0.02 0.00 -0.94 0.00 0.00 39.48 37.94 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 -0.94 0.65 3.30 1.37 0.00 -1.26 -3.49 105.19 104.82 1m5z n GLY 37 Ca 0.55 -0.43 0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.45 0.17 1.61 -0.12 -1.26 -1.75 117.98 114.18 1m5z s PHE 38 Ca 0.00 0.75 -0.07 0.00 -0.05 0.00 0.00 56.93 57.56 1m5z s PHE 38 Cb 0.00 0.26 -0.06 0.00 -0.63 0.00 0.00 43.02 42.59 1m5z s PHE 38 CO 0.00 -0.22 0.44 -1.12 -0.05 0.00 0.00 175.22 174.27 1m5z s SER 39 N 2.35 6.55 0.38 1.98 0.01 -0.23 -4.95 113.70 119.80 1m5z s SER 39 Ca -0.01 0.73 0.08 0.00 1.31 0.00 0.00 55.95 58.05 1m5z s SER 39 Cb -0.04 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 1m5z s SER 39 CO -0.17 0.01 0.29 0.68 0.41 0.00 0.00 173.24 174.47 1m5z s VAL 40 N -1.70 2.90 0.35 3.43 -7.23 -1.26 0.15 120.40 117.04 1m5z s VAL 40 Ca 0.43 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1m5z s VAL 40 Cb -0.12 -3.04 -0.06 0.00 0.56 0.00 0.00 36.38 33.72 1m5z s VAL 40 CO 0.23 -0.07 0.06 0.00 -0.31 0.00 0.00 175.10 175.00 1m5z s ALA 41 N -2.44 2.59 0.05 1.32 0.00 0.31 -4.55 121.76 119.04 1m5z s ALA 41 Ca 0.44 -1.92 -0.21 0.00 0.00 0.00 0.00 51.96 50.27 1m5z s ALA 41 Cb -0.03 0.59 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 1m5z s ALA 41 CO 0.26 -0.28 0.62 0.16 0.00 0.00 0.00 175.76 176.52 1m5z s ASP 42 N -3.54 7.07 -0.32 0.00 1.47 -1.26 -2.49 116.67 117.60 1m5z s ASP 42 Ca 0.34 1.27 -0.09 0.00 1.18 0.00 0.00 52.55 55.25 1m5z s ASP 42 Cb 0.08 -2.39 0.00 0.00 -0.34 0.00 0.00 42.92 40.27 1m5z s ASP 42 CO 0.15 0.17 0.15 -0.83 0.68 0.00 0.00 175.17 175.49 1m5z s GLY 43 N -0.62 1.87 -0.12 2.12 0.00 0.21 -4.91 107.32 105.87 1m5z s GLY 43 Ca 0.31 -1.45 0.13 0.00 0.00 0.00 0.00 44.72 43.71 1m5z s GLY 43 CO 0.19 0.71 0.38 -0.10 0.00 0.00 0.00 173.10 174.29 1m5z n LEU 44 N 4.97 0.74 -0.07 0.66 7.94 -1.26 -2.18 117.00 127.80 1m5z n LEU 44 Ca -0.14 0.22 -0.10 0.00 -1.11 0.00 0.00 56.01 54.89 1m5z n LEU 44 Cb 0.48 0.17 -0.07 0.00 0.53 0.00 0.00 43.42 44.54 1m5z n LEU 44 CO 0.34 0.48 -0.05 0.25 -1.11 0.00 0.00 177.39 177.30 1m5z h LEU 45 N 0.00 0.00 -2.18 -1.96 5.85 -1.98 -3.35 115.31 111.70 1m5z h LEU 45 Ca -0.41 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1m5z h LEU 45 Cb 2.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.13 1m5z h LEU 45 CO 0.05 0.91 0.00 -0.62 -0.34 0.00 0.00 178.44 178.44 1m5z n GLU 46 N -4.63 2.85 -1.83 1.25 -0.58 -1.26 -4.98 120.64 111.46 1m5z n GLU 46 Ca -0.11 -1.63 -0.01 0.00 -0.42 0.00 0.00 57.16 55.00 1m5z n GLU 46 Cb 0.34 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 0.40 -0.14 0.00 3.49 4.76 -1.15 -4.85 118.16 120.66 1m5z n LYS 47 Ca 0.14 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1m5z n LYS 47 Cb 0.67 -0.49 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 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 0.86 -0.68 3.13 0.72 0.00 -0.93 -4.37 105.19 103.92 1m5z n GLY 48 Ca -0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.00 0.01 0.07 1.61 1.01 -1.25 0.64 120.40 118.49 1m5z s VAL 49 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1m5z s VAL 49 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1m5z s VAL 49 CO 0.00 -0.02 -0.05 -0.31 0.00 0.00 0.00 175.10 174.72 1m5z s TYR 50 N 0.02 0.69 0.06 5.22 1.51 -1.04 -2.54 117.35 121.27 1m5z s TYR 50 Ca -0.01 -1.00 -0.31 0.00 -1.01 0.00 0.00 57.07 54.75 1m5z s TYR 50 Cb -0.02 -0.45 -0.09 0.00 -0.11 0.00 0.00 41.96 41.30 1m5z s TYR 50 CO 0.01 -0.28 1.76 0.08 -1.11 0.00 0.00 175.55 176.01 1m5z s VAL 51 N -3.78 2.95 -0.06 0.71 1.01 -1.22 0.11 120.40 120.12 1m5z s VAL 51 Ca 0.09 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1m5z s VAL 51 Cb 0.07 -3.20 -0.25 0.00 0.00 0.00 0.00 36.38 33.00 1m5z s VAL 51 CO -0.08 -0.01 0.61 0.50 0.00 0.00 0.00 175.10 176.12 1m5z h LYS 52 N 8.94 0.17 -1.87 2.72 1.63 0.12 -2.47 116.57 125.81 1m5z h LYS 52 Ca -0.44 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.06 1m5z h LYS 52 Cb 1.21 0.11 -0.22 0.00 -0.60 0.00 0.00 32.23 32.73 1m5z h LYS 52 CO 0.94 0.94 0.25 -0.80 -3.45 0.00 0.00 179.45 177.33 1m5z s ASN 53 N -6.70 -0.63 -0.04 4.20 0.01 -0.94 -4.99 114.94 105.86 1m5z s ASN 53 Ca -0.13 1.04 0.03 0.00 -0.71 0.00 0.00 52.86 53.09 1m5z s ASN 53 Cb 0.07 0.99 0.00 0.00 0.41 0.00 0.00 41.25 42.73 1m5z s ASN 53 CO 0.81 -0.33 -0.12 -0.63 -1.51 0.00 0.00 177.10 175.32 1m5z s ILE 54 N -0.21 1.06 0.30 0.60 1.01 -1.26 -1.06 121.20 121.63 1m5z s ILE 54 Ca -0.02 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 1m5z s ILE 54 Cb -0.03 -0.94 -0.10 0.00 0.01 0.00 0.00 42.46 41.40 1m5z s ILE 54 CO 0.02 0.32 1.39 -0.60 0.00 0.00 0.00 174.94 176.07 1m5z s ARG 55 N 0.30 4.28 -0.48 2.79 6.06 -0.72 -4.93 118.95 126.25 1m5z s ARG 55 Ca -0.07 2.30 -0.28 0.00 -2.50 0.00 0.00 55.73 55.18 1m5z s ARG 55 Cb -0.12 -3.08 0.01 0.00 0.06 0.00 0.00 34.95 31.83 1m5z s ARG 55 CO 0.02 -0.34 1.45 -1.25 -2.50 0.00 0.00 175.30 172.68 1m5z s PRO 56 N -1.13 3.41 0.00 5.12 0.04 -1.26 -2.94 135.00 138.23 1m5z s PRO 56 Ca 0.54 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1m5z s PRO 56 Cb -0.41 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1m5z s PRO 56 CO 0.49 -1.78 0.00 0.00 0.04 0.00 0.00 177.00 175.75 1m5z n ALA 57 N 9.36 0.00 -2.89 8.56 0.00 -1.26 -5.07 120.51 129.22 1m5z n ALA 57 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1m5z n ALA 57 Cb 0.49 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.19 5.80 0.29 0.00 0.00 -1.15 -4.87 105.19 104.07 1m5z n GLY 58 Ca 0.00 -2.06 -0.08 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 -0.25 -0.88 1.61 0.11 -1.83 0.52 132.00 131.29 1m5z h PRO 59 Ca 0.00 0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.18 1m5z h PRO 59 Cb 0.00 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.11 1m5z h PRO 59 CO 0.00 -0.17 0.57 0.78 -0.21 0.00 0.00 178.00 178.98 1m5z h GLY 60 N -0.26 1.26 1.77 -0.55 0.00 -1.62 0.39 103.07 104.06 1m5z h GLY 60 Ca 0.14 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 1m5z h GLY 60 CO -0.42 0.33 -0.69 -1.80 0.00 0.00 0.00 176.54 173.95 1m5z h ASP 61 N 1.03 0.27 0.46 0.19 1.82 -1.43 -2.51 116.42 116.25 1m5z h ASP 61 Ca 0.37 -0.17 -0.12 0.00 -0.39 0.00 0.00 57.03 56.71 1m5z h ASP 61 Cb 0.13 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1m5z h ASP 61 CO -0.12 0.88 -0.53 -0.07 -1.61 0.00 0.00 179.24 177.79 1m5z h LEU 62 N 0.16 0.08 0.09 2.28 3.38 0.11 -3.28 115.31 118.13 1m5z h LEU 62 Ca -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1m5z h LEU 62 Cb 1.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1m5z h LEU 62 CO 0.11 0.59 -0.04 1.23 0.09 0.00 0.00 178.44 180.42 1m5z h GLY 63 N 1.52 -0.12 0.00 0.83 0.00 -0.85 -3.49 103.07 100.96 1m5z h GLY 63 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1m5z h GLY 63 CO 0.07 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1m5z n GLY 64 N 0.93 1.45 3.50 4.60 0.00 -0.96 -4.62 105.19 110.09 1m5z n GLY 64 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 2.83 0.30 0.99 2.34 -1.17 -4.97 118.68 119.00 1m5z s LEU 65 Ca 0.00 -0.22 0.09 0.00 0.06 0.00 0.00 54.13 54.07 1m5z s LEU 65 Cb 0.00 -1.61 -0.06 0.00 -0.56 0.00 0.00 46.19 43.96 1m5z s LEU 65 CO 0.00 0.32 -0.12 -0.54 -1.06 0.00 0.00 176.35 174.95 1m5z s LYS 66 N -1.02 1.67 0.37 1.48 -0.14 -1.26 -4.71 119.74 116.13 1m5z s LYS 66 Ca 0.13 -1.82 -0.24 0.00 -1.36 0.00 0.00 55.97 52.68 1m5z s LYS 66 Cb -0.11 -1.54 -0.14 0.00 -1.68 0.00 0.00 37.83 34.36 1m5z s LYS 66 CO 0.03 0.17 0.51 -0.35 -0.76 0.00 0.00 175.35 174.95 1m5z n PRO 67 N -0.66 0.46 -0.16 -1.68 -0.04 -1.26 -1.64 135.00 130.02 1m5z n PRO 67 Ca -0.05 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1m5z n PRO 67 Cb 0.62 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.63 0.00 -1.50 0.54 4.01 -0.93 -4.87 117.16 113.78 1m5z n TYR 68 Ca 0.12 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.73 1m5z n TYR 68 Cb 0.36 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.29 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 0.73 -4.60 7.72 9.92 -0.65 -4.50 116.55 125.17 1m5z n ASP 69 Ca 0.00 -1.55 -0.43 0.00 -0.53 0.00 0.00 54.79 52.28 1m5z n ASP 69 Cb 0.00 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.08 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 8.12 3.24 -0.36 -1.24 3.52 -0.48 -3.43 118.95 128.33 1m5z s ARG 70 Ca 0.89 1.47 -0.28 0.00 -0.13 0.00 0.00 55.73 57.68 1m5z s ARG 70 Cb -0.23 -4.24 -0.03 0.00 -1.56 0.00 0.00 34.95 28.89 1m5z s ARG 70 CO 0.19 -1.97 1.91 -0.51 -0.81 0.00 0.00 175.30 174.11 1m5z s LEU 71 N 7.31 3.46 -0.00 -0.88 1.02 -1.05 -1.24 118.68 127.30 1m5z s LEU 71 Ca 0.82 1.24 -0.07 0.00 0.02 0.00 0.00 54.13 56.15 1m5z s LEU 71 Cb -0.23 -3.32 -0.30 0.00 0.02 0.00 0.00 46.19 42.36 1m5z s LEU 71 CO 0.33 -1.91 0.84 -0.07 0.02 0.00 0.00 176.35 175.56 1m5z h LEU 72 N 14.62 0.52 -7.10 1.79 4.07 -1.25 -3.02 115.31 124.95 1m5z h LEU 72 Ca -0.33 -0.70 -0.07 0.00 0.08 0.00 0.00 57.88 56.86 1m5z h LEU 72 Cb 1.18 -0.17 -0.20 0.00 1.08 0.00 0.00 40.66 42.55 1m5z h LEU 72 CO 1.05 1.58 0.07 0.00 -1.08 0.00 0.00 178.44 180.06 1m5z s GLN 73 N -2.61 0.88 -0.30 1.13 -2.07 -1.20 0.11 119.66 115.61 1m5z s GLN 73 Ca -0.11 0.49 -0.01 0.00 -1.82 0.00 0.00 55.36 53.90 1m5z s GLN 73 Cb 0.06 0.42 0.05 0.00 -1.09 0.00 0.00 33.01 32.45 1m5z s GLN 73 CO 0.87 -0.21 -0.01 0.08 -1.32 0.00 0.00 175.29 174.71 1m5z s VAL 74 N -0.53 2.93 0.00 3.63 1.01 0.13 -1.69 120.40 125.87 1m5z s VAL 74 Ca -0.06 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1m5z s VAL 74 Cb -0.03 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1m5z s VAL 74 CO 0.05 -0.11 0.00 0.59 0.00 0.00 0.00 175.10 175.63 1m5z n ASN 75 N 4.61 0.00 0.00 3.32 4.13 0.32 -2.16 115.26 125.47 1m5z n ASN 75 Ca -0.13 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1m5z n ASN 75 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1m5z n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1m5z n HIS 76 N 0.00 0.00 -2.99 3.10 1.44 -1.26 -4.97 115.22 110.54 1m5z n HIS 76 Ca 0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 1m5z n HIS 76 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 1m5z n HIS 76 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1m5z s VAL 77 N 0.00 5.00 0.05 0.61 1.01 -0.92 -5.02 120.40 121.13 1m5z s VAL 77 Ca 0.00 1.53 -0.31 0.00 0.00 0.00 0.00 61.98 63.20 1m5z s VAL 77 Cb 0.00 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 1m5z s VAL 77 CO 0.00 0.19 1.43 -0.13 0.00 0.00 0.00 175.10 176.59 1m5z s ARG 78 N 1.13 4.29 -0.07 2.72 1.81 -1.26 -0.70 118.95 126.87 1m5z s ARG 78 Ca 0.39 2.05 0.22 0.00 -1.72 0.00 0.00 55.73 56.67 1m5z s ARG 78 Cb -0.18 -3.45 0.40 0.00 -0.45 0.00 0.00 34.95 31.28 1m5z s ARG 78 CO 0.18 -0.54 1.15 0.25 -0.68 0.00 0.00 175.30 175.66 1m5z n THR 79 N 4.39 0.27 -0.03 0.02 -2.24 0.31 -4.90 114.28 112.09 1m5z n THR 79 Ca 0.13 -1.30 -0.13 0.00 -2.27 0.00 0.00 64.05 60.48 1m5z n THR 79 Cb 0.43 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.59 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 1.24 0.16 -0.83 -0.78 1.12 -0.51 -3.01 114.38 111.78 1m5z h ARG 80 Ca -0.25 -0.07 -0.15 0.00 -1.11 0.00 0.00 59.98 58.39 1m5z h ARG 80 Cb 1.70 -0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 31.56 1m5z h ARG 80 CO 0.07 0.51 0.20 -3.47 -3.11 0.00 0.00 179.97 174.17 1m5z n ASP 81 N -4.77 4.03 -4.56 -3.80 2.03 -1.26 -4.17 116.55 104.04 1m5z n ASP 81 Ca -0.07 -2.86 -0.29 0.00 0.52 0.00 0.00 54.79 52.09 1m5z n ASP 81 Cb 0.25 -0.68 0.13 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.29 2.29 0.25 -0.67 0.40 -1.14 -4.67 117.98 112.16 1m5z s PHE 82 Ca 0.40 0.48 0.08 0.00 -0.60 0.00 0.00 56.93 57.29 1m5z s PHE 82 Cb 0.32 -3.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.09 1m5z s PHE 82 CO 0.10 -2.12 0.09 0.34 0.70 0.00 0.00 175.22 174.33 1m5z s ASP 83 N -4.72 5.04 0.27 1.36 -1.08 -1.26 -3.75 116.67 112.54 1m5z s ASP 83 Ca 0.67 -0.43 0.01 0.00 -0.52 0.00 0.00 52.55 52.28 1m5z s ASP 83 Cb -0.08 -1.13 0.60 0.00 -1.46 0.00 0.00 42.92 40.85 1m5z s ASP 83 CO 0.50 -0.01 1.76 0.00 0.52 0.00 0.00 175.17 177.94 1m5z n LEU 86 N -3.30 1.01 0.09 0.00 4.32 0.19 -4.15 117.00 115.18 1m5z n LEU 86 Ca -0.02 0.14 -0.16 0.00 -0.02 0.00 0.00 56.01 55.95 1m5z n LEU 86 Cb 0.14 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.84 1m5z n LEU 86 CO 0.24 0.57 0.03 0.58 -1.22 0.00 0.00 177.39 177.59 1m5z h VAL 87 N 0.01 1.44 0.03 4.08 2.07 0.05 -2.61 116.25 121.32 1m5z h VAL 87 Ca -0.45 -2.78 0.01 0.00 0.82 0.00 0.00 66.70 64.30 1m5z h VAL 87 Cb 2.10 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 34.59 1m5z h VAL 87 CO 0.04 0.82 -0.08 0.58 0.02 0.00 0.00 177.57 178.94 1m5z h VAL 88 N 0.14 0.80 -0.27 2.57 2.07 -0.62 -1.02 116.25 119.91 1m5z h VAL 88 Ca -0.12 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 1m5z h VAL 88 Cb 1.82 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1m5z h VAL 88 CO 0.19 0.00 -0.07 -0.65 0.02 0.00 0.00 177.57 177.06 1m5z h PRO 89 N -0.16 0.53 -0.49 1.57 0.11 -1.72 -2.31 132.00 129.53 1m5z h PRO 89 Ca 0.02 -0.21 0.14 0.00 0.11 0.00 0.00 66.00 66.07 1m5z h PRO 89 Cb 0.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1m5z h PRO 89 CO -0.06 0.75 0.37 -0.07 -0.21 0.00 0.00 178.00 178.78 1m5z h LEU 90 N 0.28 0.00 0.02 2.35 3.38 -1.33 0.17 115.31 120.19 1m5z h LEU 90 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1m5z h LEU 90 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1m5z h LEU 90 CO 0.03 0.00 -0.20 0.40 0.09 0.00 0.00 178.44 178.76 1m5z h ILE 91 N 0.00 1.65 0.00 1.22 2.04 -0.92 -3.19 117.51 118.31 1m5z h ILE 91 Ca 0.23 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1m5z h ILE 91 Cb 0.98 3.10 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 1m5z h ILE 91 CO -0.00 0.58 0.00 0.00 0.00 0.00 0.00 178.15 178.73 1m5z n ALA 92 N -2.58 2.12 0.71 1.87 0.00 -0.63 -2.50 120.51 119.50 1m5z n ALA 92 Ca -0.10 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.34 1m5z n ALA 92 Cb 0.53 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.22 0.19 0.18 0.00 1.02 0.52 -4.21 120.64 117.13 1m5z n GLU 93 Ca 0.11 -0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.33 1m5z n GLU 93 Cb 0.14 -1.51 0.64 0.00 -0.02 0.00 0.00 31.44 30.68 1m5z n GLU 93 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1m5z h SER 94 N 0.00 0.00 0.00 1.62 0.87 -1.47 -3.48 113.55 111.08 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 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 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 -0.61 0.31 0.00 5.77 0.00 -1.26 -3.87 105.19 105.53 1m5z n GLY 95 Ca -0.00 -1.33 0.10 0.00 0.00 0.00 0.00 46.02 44.79 1m5z n GLY 95 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m5z n ASN 96 N 1.52 0.00 -3.92 1.61 0.23 -1.26 -4.20 115.26 109.24 1m5z n ASN 96 Ca 0.00 0.16 -0.13 0.00 -0.53 0.00 0.00 54.58 54.08 1m5z n ASN 96 Cb 0.00 -0.35 -0.14 0.00 -2.08 0.00 0.00 39.78 37.21 1m5z n ASN 96 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1m5z s LYS 97 N -2.71 0.19 -0.34 -3.83 1.02 -1.25 -1.44 119.74 111.37 1m5z s LYS 97 Ca 0.16 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1m5z s LYS 97 Cb 0.14 -0.13 0.11 0.00 -0.52 0.00 0.00 37.83 37.43 1m5z s LYS 97 CO 0.33 0.03 0.13 -1.17 -0.92 0.00 0.00 175.35 173.75 1m5z s LEU 98 N -0.29 2.53 -0.30 3.17 0.20 0.93 -4.59 118.68 120.33 1m5z s LEU 98 Ca -0.02 -1.93 -0.13 0.00 0.69 0.00 0.00 54.13 52.74 1m5z s LEU 98 Cb -0.02 -0.96 -0.03 0.00 -0.43 0.00 0.00 46.19 44.75 1m5z s LEU 98 CO -0.00 -0.37 0.28 -0.62 -0.29 0.00 0.00 176.35 175.34 1m5z s ASP 99 N 1.24 6.11 0.13 3.68 -1.08 -1.26 -0.52 116.67 124.97 1m5z s ASP 99 Ca 0.12 -0.07 -0.07 0.00 -0.52 0.00 0.00 52.55 52.00 1m5z s ASP 99 Cb -0.19 -2.16 -0.01 0.00 -1.46 0.00 0.00 42.92 39.10 1m5z s ASP 99 CO -0.17 -0.18 0.20 -1.48 0.52 0.00 0.00 175.17 174.07 1m5z s LEU 100 N 1.87 1.31 -0.32 -1.34 0.05 0.79 0.12 118.68 121.17 1m5z s LEU 100 Ca 0.10 -0.85 -0.03 0.00 0.05 0.00 0.00 54.13 53.40 1m5z s LEU 100 Cb -0.16 0.96 0.05 0.00 -2.05 0.00 0.00 46.19 44.99 1m5z s LEU 100 CO 0.11 -0.80 0.04 -0.69 -0.55 0.00 0.00 176.35 174.46 1m5z s VAL 101 N -3.94 3.18 0.40 1.48 1.01 -0.69 -0.36 120.40 121.48 1m5z s VAL 101 Ca 0.13 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.80 1m5z s VAL 101 Cb 0.05 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1m5z s VAL 101 CO -0.04 -0.17 0.44 0.27 0.00 0.00 0.00 175.10 175.60 1m5z s ILE 102 N 1.27 3.01 -0.07 2.22 -5.25 -0.94 -0.93 121.20 120.52 1m5z s ILE 102 Ca -0.03 -1.19 -0.03 0.00 -0.99 0.00 0.00 60.65 58.40 1m5z s ILE 102 Cb -0.20 -3.06 0.04 0.00 2.95 0.00 0.00 42.46 42.19 1m5z s ILE 102 CO -0.01 -0.04 0.13 -0.94 -1.79 0.00 0.00 174.94 172.30 1m5z s SER 103 N -4.19 0.84 -0.06 4.36 1.04 -0.37 -0.18 113.70 115.13 1m5z s SER 103 Ca 0.49 0.26 0.02 0.00 0.48 0.00 0.00 55.95 57.21 1m5z s SER 103 Cb -0.06 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1m5z s SER 103 CO 0.30 -0.24 -0.13 0.00 0.98 0.00 0.00 173.24 174.15 1m5z s ARG 104 N 2.23 1.74 0.77 4.02 1.70 -0.90 -1.38 118.95 127.14 1m5z s ARG 104 Ca 0.03 -0.44 -0.13 0.00 -0.47 0.00 0.00 55.73 54.73 1m5z s ARG 104 Cb -0.12 -1.44 0.06 0.00 -0.57 0.00 0.00 34.95 32.88 1m5z s ARG 104 CO -0.05 0.04 1.14 -0.80 -1.08 0.00 0.00 175.30 174.55 1m5z s ASN 105 N 0.62 4.20 0.00 -2.89 -0.87 -1.26 -0.72 114.94 114.01 1m5z s ASN 105 Ca -0.14 2.08 0.00 0.00 -1.57 0.00 0.00 52.86 53.23 1m5z s ASN 105 Cb -0.16 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.52 1m5z s ASN 105 CO 0.04 -2.24 0.29 -2.65 -2.57 0.00 0.00 177.10 169.96