#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhx s MET 1 N 0.00 4.75 0.34 0.00 1.75 -1.26 -5.00 119.30 119.88 3mhx s MET 1 Ca 0.00 1.59 0.09 0.00 -1.25 0.00 0.00 55.69 56.12 3mhx s MET 1 Cb 0.00 -3.27 -0.06 0.00 2.84 0.00 0.00 34.83 34.34 3mhx s MET 1 CO 0.00 0.34 -0.03 0.95 -0.65 0.00 0.00 175.02 175.63 3mhx s THR 2 N -0.85 2.46 0.55 10.11 -4.23 -1.26 -1.76 115.64 120.66 3mhx s THR 2 Ca 0.44 -2.06 0.22 0.00 -1.18 0.00 0.00 61.69 59.12 3mhx s THR 2 Cb -0.27 -2.75 0.32 0.00 1.34 0.00 0.00 72.50 71.13 3mhx s THR 2 CO 0.34 -0.19 2.17 0.25 -0.54 0.00 0.00 174.62 176.65 3mhx h LEU 3 N 1.88 0.00 -1.44 4.79 5.85 -0.89 -1.05 115.31 124.45 3mhx h LEU 3 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3mhx h LEU 3 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3mhx h LEU 3 CO 0.69 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 179.56 3mhx h SER 4 N 0.00 0.00 -0.22 1.25 4.64 -1.84 -1.96 113.55 115.42 3mhx h SER 4 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3mhx h SER 4 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3mhx h SER 4 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3mhx n GLU 5 N -2.44 1.86 -2.34 4.77 1.02 -0.40 -4.72 120.64 118.40 3mhx n GLU 5 Ca -0.00 -1.77 -0.43 0.00 -0.02 0.00 0.00 57.16 54.94 3mhx n GLU 5 Cb 0.12 -1.32 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 3mhx n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3mhx s LEU 6 N -1.14 4.24 0.72 -4.62 2.96 -0.74 -4.84 118.68 115.26 3mhx s LEU 6 Ca 0.24 1.86 -0.15 0.00 -0.22 0.00 0.00 54.13 55.86 3mhx s LEU 6 Cb 0.14 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.32 3mhx s LEU 6 CO 0.20 -0.75 1.17 -2.84 -1.32 0.00 0.00 176.35 172.81 3mhx s PRO 7 N 3.18 2.30 0.60 0.98 0.02 -1.26 -3.74 135.00 137.07 3mhx s PRO 7 Ca 0.59 1.62 -0.19 0.00 0.02 0.00 0.00 61.00 63.04 3mhx s PRO 7 Cb -0.25 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 3mhx s PRO 7 CO 0.20 -1.68 1.02 1.28 -0.33 0.00 0.00 177.00 177.48 3mhx n LEU 8 N -2.72 3.96 -2.53 -5.54 4.77 -1.26 -2.59 117.00 111.10 3mhx n LEU 8 Ca 0.12 0.83 -0.19 0.00 -0.03 0.00 0.00 56.01 56.74 3mhx n LEU 8 Cb 0.51 -1.41 -0.00 0.00 -2.33 0.00 0.00 43.42 40.18 3mhx n LEU 8 CO 0.48 -1.70 -0.19 1.41 -1.33 0.00 0.00 177.39 176.06 3mhx n HIS 9 N -1.66 -1.28 -4.53 -1.77 8.25 -0.83 -4.95 115.22 108.45 3mhx n HIS 9 Ca 0.14 0.09 -0.22 0.00 -0.26 0.00 0.00 57.72 57.46 3mhx n HIS 9 Cb 0.47 -3.65 -0.16 0.00 1.12 0.00 0.00 29.99 27.77 3mhx n HIS 9 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3mhx s THR 10 N -2.93 0.98 0.21 1.59 2.01 -1.07 -0.55 115.64 115.87 3mhx s THR 10 Ca 0.06 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.65 3mhx s THR 10 Cb -0.03 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 3mhx s THR 10 CO 0.07 0.29 0.13 -0.94 -0.69 0.00 0.00 174.62 173.48 3mhx s SER 11 N 0.10 5.35 0.08 3.53 1.04 -0.51 -2.27 113.70 121.01 3mhx s SER 11 Ca -0.02 -0.25 -0.19 0.00 0.48 0.00 0.00 55.95 55.96 3mhx s SER 11 Cb -0.09 -1.32 0.04 0.00 0.10 0.00 0.00 66.02 64.75 3mhx s SER 11 CO 0.01 0.02 0.46 0.00 0.98 0.00 0.00 173.24 174.71 3mhx s ALA 12 N -1.95 -1.13 -0.06 5.32 0.00 -0.30 -1.38 121.76 122.26 3mhx s ALA 12 Ca 0.31 0.31 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 3mhx s ALA 12 Cb -0.09 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 3mhx s ALA 12 CO 0.23 -0.55 0.55 0.08 0.00 0.00 0.00 175.76 176.07 3mhx s VAL 13 N -2.94 5.06 0.23 0.00 1.01 -1.26 -0.88 120.40 121.62 3mhx s VAL 13 Ca -0.02 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 3mhx s VAL 13 Cb 0.00 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3mhx s VAL 13 CO -0.06 0.36 1.22 -0.69 0.00 0.00 0.00 175.10 175.93 3mhx s VAL 14 N 0.27 3.34 -0.26 2.92 1.01 0.13 -0.87 120.40 126.95 3mhx s VAL 14 Ca 0.29 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.43 3mhx s VAL 14 Cb -0.17 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.31 3mhx s VAL 14 CO 0.14 0.22 -0.27 -0.62 0.00 0.00 0.00 175.10 174.57 3mhx n GLU 15 N 2.01 0.60 -3.78 2.72 1.02 0.11 -1.05 120.64 122.27 3mhx n GLU 15 Ca 0.03 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3mhx n GLU 15 Cb 0.44 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3mhx n GLU 15 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3mhx s SER 16 N -6.81 -0.05 -0.21 1.62 1.04 -1.14 -4.28 113.70 103.87 3mhx s SER 16 Ca -0.35 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 55.80 3mhx s SER 16 Cb 0.11 0.27 0.05 0.00 0.10 0.00 0.00 66.02 66.54 3mhx s SER 16 CO 0.54 -0.51 -0.10 -0.69 0.98 0.00 0.00 173.24 173.45 3mhx s VAL 17 N -2.39 1.74 -0.03 5.02 1.01 -1.26 -0.68 120.40 123.81 3mhx s VAL 17 Ca 0.19 -1.15 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 3mhx s VAL 17 Cb 0.01 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3mhx s VAL 17 CO -0.00 0.12 0.45 -1.10 0.00 0.00 0.00 175.10 174.56 3mhx s GLN 18 N 1.34 4.10 0.37 2.72 -1.52 0.68 -4.99 119.66 122.34 3mhx s GLN 18 Ca -0.03 0.47 -0.27 0.00 -1.95 0.00 0.00 55.36 53.58 3mhx s GLN 18 Cb -0.17 -3.29 -0.09 0.00 -0.22 0.00 0.00 33.01 29.24 3mhx s GLN 18 CO -0.08 0.52 1.21 -0.51 -0.25 0.00 0.00 175.29 176.18 3mhx s ASP 19 N -0.56 6.67 -0.01 5.90 1.01 -1.26 -4.70 116.67 123.72 3mhx s ASP 19 Ca 0.25 2.45 0.12 0.00 0.71 0.00 0.00 52.55 56.09 3mhx s ASP 19 Cb -0.17 -2.63 -0.22 0.00 1.01 0.00 0.00 42.92 40.92 3mhx s ASP 19 CO 0.13 -0.58 0.77 0.25 0.21 0.00 0.00 175.17 175.96 3mhx h LEU 20 N 3.01 0.00 -8.14 1.23 5.85 -1.96 -3.48 115.31 111.81 3mhx h LEU 20 Ca -0.49 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 3mhx h LEU 20 Cb 1.23 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 3mhx h LEU 20 CO 0.64 0.96 0.07 -1.38 -0.34 0.00 0.00 178.44 178.39 3mhx s HIS 21 N -2.64 0.19 0.37 1.25 -3.43 -1.26 -5.12 115.29 104.65 3mhx s HIS 21 Ca -0.04 -0.64 -0.28 0.00 -0.80 0.00 0.00 55.06 53.31 3mhx s HIS 21 Cb 0.08 0.47 -0.11 0.00 -1.43 0.00 0.00 32.58 31.60 3mhx s HIS 21 CO 0.82 -1.21 1.43 0.00 -2.00 0.00 0.00 174.74 173.78 3mhx s ALA 22 N -3.55 3.53 -1.05 -1.38 0.00 -1.26 -3.17 121.76 114.87 3mhx s ALA 22 Ca 0.18 1.48 -0.10 0.00 0.00 0.00 0.00 51.96 53.52 3mhx s ALA 22 Cb -0.03 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3mhx s ALA 22 CO 0.10 -0.95 0.86 -1.71 0.00 0.00 0.00 175.76 174.07 3mhx n ASN 23 N 0.50 -6.33 -4.48 0.00 2.85 -1.26 -4.90 115.26 101.65 3mhx n ASN 23 Ca 0.01 -0.76 -0.43 0.00 -0.11 0.00 0.00 54.58 53.29 3mhx n ASN 23 Cb 0.40 -4.63 -0.03 0.00 1.24 0.00 0.00 39.78 36.75 3mhx n ASN 23 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3mhx s ASP 24 N -3.38 6.24 0.34 1.20 -1.08 -1.19 -4.89 116.67 113.91 3mhx s ASP 24 Ca 0.43 -1.05 0.06 0.00 -0.52 0.00 0.00 52.55 51.47 3mhx s ASP 24 Cb -0.09 -2.45 0.60 0.00 -1.46 0.00 0.00 42.92 39.52 3mhx s ASP 24 CO 0.78 -1.47 1.82 0.00 0.52 0.00 0.00 175.17 176.82 3mhx h ALA 25 N 9.57 1.31 -0.20 3.66 0.00 -1.92 -2.26 119.26 129.42 3mhx h ALA 25 Ca -0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3mhx h ALA 25 Cb 1.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3mhx h ALA 25 CO 1.20 0.46 -0.05 0.82 0.00 0.00 0.00 179.25 181.68 3mhx h ILE 26 N 0.31 1.29 -0.75 0.00 2.04 -1.99 -0.69 117.51 117.73 3mhx h ILE 26 Ca 0.05 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3mhx h ILE 26 Cb 0.53 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3mhx h ILE 26 CO 0.03 0.32 0.48 0.00 0.00 0.00 0.00 178.15 178.98 3mhx h ALA 27 N 0.74 0.95 -0.46 1.87 0.00 -1.88 -0.75 119.26 119.72 3mhx h ALA 27 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3mhx h ALA 27 Cb 0.51 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3mhx h ALA 27 CO 0.02 0.38 0.26 -0.09 0.00 0.00 0.00 179.25 179.83 3mhx h ARG 28 N 1.01 0.63 -0.84 0.00 2.43 -1.26 -1.82 114.38 114.53 3mhx h ARG 28 Ca 0.27 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 3mhx h ARG 28 Cb -0.09 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 3mhx h ARG 28 CO -0.06 0.48 0.46 0.00 -1.51 0.00 0.00 179.97 179.35 3mhx h ARG 29 N 0.61 1.18 -0.66 0.20 3.08 -0.60 -1.84 114.38 116.35 3mhx h ARG 29 Ca 0.16 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3mhx h ARG 29 Cb 0.02 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 3mhx h ARG 29 CO -0.03 0.86 0.27 -0.07 -1.07 0.00 0.00 179.97 179.94 3mhx h LEU 30 N 1.17 0.90 -0.56 3.04 3.38 -0.77 -2.00 115.31 120.47 3mhx h LEU 30 Ca 0.30 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3mhx h LEU 30 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3mhx h LEU 30 CO -0.05 0.82 0.17 0.03 0.09 0.00 0.00 178.44 179.51 3mhx h ARG 31 N 0.93 0.88 0.00 1.13 3.08 -0.99 -2.32 114.38 117.09 3mhx h ARG 31 Ca 0.22 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3mhx h ARG 31 Cb 0.20 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3mhx h ARG 31 CO -0.02 0.80 -0.11 0.93 -1.07 0.00 0.00 179.97 180.50 3mhx h GLU 32 N 0.79 0.00 -0.25 0.04 5.08 -1.06 -2.74 114.58 116.44 3mhx h GLU 32 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3mhx h GLU 32 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3mhx h GLU 32 CO -0.00 0.11 0.00 1.28 -1.00 0.00 0.00 179.01 179.39 3mhx n LEU 33 N -3.78 1.81 0.00 1.33 4.77 -0.78 -4.91 117.00 115.44 3mhx n LEU 33 Ca -0.02 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3mhx n LEU 33 Cb 0.21 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3mhx n LEU 33 CO 0.30 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3mhx n GLY 34 N 1.12 0.99 3.58 -0.72 0.00 -1.03 -5.03 105.19 104.10 3mhx n GLY 34 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3mhx n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mhx s PHE 35 N -2.00 2.53 0.12 1.61 0.08 -0.91 -4.89 117.98 114.51 3mhx s PHE 35 Ca 0.00 -1.00 0.06 0.00 0.12 0.00 0.00 56.93 56.11 3mhx s PHE 35 Cb 0.00 -4.54 -0.04 0.00 -0.57 0.00 0.00 43.02 37.87 3mhx s PHE 35 CO 0.00 -1.65 -0.14 0.14 -0.10 0.00 0.00 175.22 173.47 3mhx s VAL 36 N 6.19 1.34 0.10 -0.44 -7.23 -1.26 -4.34 120.40 114.76 3mhx s VAL 36 Ca 0.58 -1.68 -0.36 0.00 -1.81 0.00 0.00 61.98 58.71 3mhx s VAL 36 Cb 0.02 -1.50 -0.17 0.00 0.56 0.00 0.00 36.38 35.29 3mhx s VAL 36 CO 0.09 -0.38 1.15 1.17 -0.31 0.00 0.00 175.10 176.82 3mhx n LYS 37 N 0.62 0.77 0.00 4.82 4.81 -1.26 -1.72 118.16 126.20 3mhx n LYS 37 Ca -0.16 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3mhx n LYS 37 Cb 0.57 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.83 3mhx n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mhx n GLY 38 N 2.05 2.93 3.84 3.14 0.00 -0.21 -4.97 105.19 111.97 3mhx n GLY 38 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3mhx n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mhx s GLU 39 N -0.72 4.05 0.12 1.61 0.41 -0.70 -4.77 118.70 118.70 3mhx s GLU 39 Ca 0.00 0.60 -0.25 0.00 -0.41 0.00 0.00 54.97 54.91 3mhx s GLU 39 Cb 0.00 -2.88 -0.07 0.00 -1.78 0.00 0.00 34.13 29.40 3mhx s GLU 39 CO 0.00 0.43 0.77 -2.00 -0.49 0.00 0.00 175.26 173.98 3mhx s GLU 40 N -2.04 4.54 0.00 1.61 2.12 -1.26 -0.69 118.70 122.97 3mhx s GLU 40 Ca 0.40 1.12 0.04 0.00 0.36 0.00 0.00 54.97 56.90 3mhx s GLU 40 Cb -0.15 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 3mhx s GLU 40 CO 0.20 0.46 -0.13 0.54 -0.54 0.00 0.00 175.26 175.78 3mhx s VAL 41 N -0.73 1.06 0.03 3.70 0.11 -0.05 -4.21 120.40 120.30 3mhx s VAL 41 Ca 0.37 -0.70 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 3mhx s VAL 41 Cb -0.22 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 3mhx s VAL 41 CO 0.25 0.21 -0.10 0.00 -3.33 0.00 0.00 175.10 172.12 3mhx s ARG 42 N -0.56 0.72 -0.47 1.54 1.70 -0.26 -1.15 118.95 120.47 3mhx s ARG 42 Ca 0.04 -0.61 -0.24 0.00 -0.47 0.00 0.00 55.73 54.45 3mhx s ARG 42 Cb -0.06 -0.66 0.03 0.00 -0.57 0.00 0.00 34.95 33.69 3mhx s ARG 42 CO 0.00 0.16 0.85 1.41 -1.08 0.00 0.00 175.30 176.65 3mhx s MET 43 N -0.97 3.43 -0.10 3.89 -2.45 -0.96 -0.27 119.30 121.87 3mhx s MET 43 Ca -0.01 -0.06 -0.16 0.00 -1.25 0.00 0.00 55.69 54.20 3mhx s MET 43 Cb -0.07 -3.96 -0.27 0.00 1.25 0.00 0.00 34.83 31.78 3mhx s MET 43 CO 0.01 -1.22 0.58 0.28 1.05 0.00 0.00 175.02 175.72 3mhx h VAL 44 N 6.02 1.07 -3.17 10.11 2.07 -1.00 -2.22 116.25 129.14 3mhx h VAL 44 Ca -0.25 -2.41 -0.07 0.00 0.82 0.00 0.00 66.70 64.80 3mhx h VAL 44 Cb 1.08 2.75 -0.15 0.00 -1.52 0.00 0.00 31.29 33.45 3mhx h VAL 44 CO 1.00 0.70 -0.09 0.00 0.02 0.00 0.00 177.57 179.21 3mhx s ALA 45 N -2.47 -0.99 0.05 1.67 0.00 -1.04 -4.69 121.76 114.29 3mhx s ALA 45 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3mhx s ALA 45 Cb 0.04 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.65 3mhx s ALA 45 CO 0.77 -0.54 0.00 1.17 0.00 0.00 0.00 175.76 177.16 3mhx n LYS 46 N 0.20 -2.31 -0.05 0.00 4.81 -1.26 -1.20 118.16 118.34 3mhx n LYS 46 Ca -0.17 1.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.91 3mhx n LYS 46 Cb 0.61 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.46 3mhx n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mhx n GLY 47 N 1.82 0.12 3.75 3.14 0.00 -1.24 -4.08 105.19 108.69 3mhx n GLY 47 Ca 0.00 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 3mhx n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mhx s PRO 48 N -4.10 2.28 0.28 1.61 0.04 -1.25 -4.02 135.00 129.85 3mhx s PRO 48 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3mhx s PRO 48 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3mhx s PRO 48 CO 0.00 -1.65 0.00 0.28 0.04 0.00 0.00 177.00 175.67 3mhx n VAL 49 N -3.12 0.00 0.00 -0.36 0.31 -1.26 -4.79 118.33 109.10 3mhx n VAL 49 Ca 0.10 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 3mhx n VAL 49 Cb 0.52 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3mhx n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mhx n GLY 50 N -3.46 1.41 0.00 2.92 0.00 -1.26 -4.85 105.19 99.95 3mhx n GLY 50 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3mhx n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mhx n GLY 51 N 0.00 0.44 3.31 -0.02 0.00 -1.26 -4.94 105.19 102.71 3mhx n GLY 51 Ca 0.00 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 3mhx n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mhx s GLU 52 N -1.49 1.28 0.83 1.61 2.02 -1.26 -3.68 118.70 118.00 3mhx s GLU 52 Ca 0.00 -1.63 -0.12 0.00 0.02 0.00 0.00 54.97 53.24 3mhx s GLU 52 Cb 0.00 -0.58 0.09 0.00 0.10 0.00 0.00 34.13 33.73 3mhx s GLU 52 CO 0.00 -0.08 1.11 -2.14 0.02 0.00 0.00 175.26 174.17 3mhx s PRO 53 N -3.85 1.84 -0.25 0.39 0.02 -1.26 -5.08 135.00 126.81 3mhx s PRO 53 Ca 0.27 0.53 -0.17 0.00 0.02 0.00 0.00 61.00 61.64 3mhx s PRO 53 Cb 0.05 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.64 3mhx s PRO 53 CO 0.07 -1.76 0.47 -0.51 -0.33 0.00 0.00 177.00 174.94 3mhx s LEU 54 N -5.83 4.07 -0.48 -5.54 1.43 0.34 -4.57 118.68 108.10 3mhx s LEU 54 Ca 0.62 0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 54.01 3mhx s LEU 54 Cb -0.14 -2.59 0.05 0.00 0.03 0.00 0.00 46.19 43.53 3mhx s LEU 54 CO 0.54 -0.23 0.59 -0.22 0.23 0.00 0.00 176.35 177.26 3mhx s LEU 55 N 2.08 4.90 0.15 1.79 2.96 -0.34 -0.94 118.68 129.28 3mhx s LEU 55 Ca 0.20 -0.80 0.08 0.00 -0.22 0.00 0.00 54.13 53.38 3mhx s LEU 55 Cb -0.16 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 3mhx s LEU 55 CO 0.09 -0.82 -0.06 0.68 -1.32 0.00 0.00 176.35 174.92 3mhx s VAL 56 N 2.55 3.47 -0.07 1.68 -7.23 -0.38 -0.29 120.40 120.14 3mhx s VAL 56 Ca 0.15 -1.43 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 3mhx s VAL 56 Cb -0.18 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.06 3mhx s VAL 56 CO 0.13 -0.03 -0.16 -1.58 -0.31 0.00 0.00 175.10 173.15 3mhx s GLN 57 N -2.66 2.01 -0.13 4.82 0.74 0.63 -0.87 119.66 124.20 3mhx s GLN 57 Ca 0.25 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 55.11 3mhx s GLN 57 Cb -0.10 -1.63 0.02 0.00 1.10 0.00 0.00 33.01 32.40 3mhx s GLN 57 CO 0.16 0.11 -0.14 0.14 -0.55 0.00 0.00 175.29 175.01 3mhx s VAL 58 N 0.46 1.51 0.00 1.34 -7.23 -0.67 -1.10 120.40 114.71 3mhx s VAL 58 Ca -0.13 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 3mhx s VAL 58 Cb -0.15 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.38 3mhx s VAL 58 CO 0.05 0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.89 3mhx n GLY 59 N 4.61 2.15 0.21 2.32 0.00 -1.26 -1.55 105.19 111.67 3mhx n GLY 59 Ca -0.17 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.00 3mhx n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mhx n PHE 60 N 4.26 0.00 -4.64 1.61 3.72 -1.26 -5.03 117.46 116.12 3mhx n PHE 60 Ca 0.00 -0.53 -0.34 0.00 -0.05 0.00 0.00 57.45 56.53 3mhx n PHE 60 Cb 0.00 -0.10 -0.12 0.00 -0.94 0.00 0.00 39.48 38.33 3mhx n PHE 60 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3mhx s THR 61 N -1.49 3.60 -0.09 4.37 2.01 -0.60 -5.12 115.64 118.33 3mhx s THR 61 Ca 0.16 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.66 3mhx s THR 61 Cb 0.14 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 3mhx s THR 61 CO 0.01 0.58 -0.09 -0.13 -0.69 0.00 0.00 174.62 174.30 3mhx s ARG 62 N -0.52 2.96 0.08 4.92 0.52 -1.26 -1.67 118.95 123.99 3mhx s ARG 62 Ca 0.08 -0.60 0.08 0.00 -0.52 0.00 0.00 55.73 54.76 3mhx s ARG 62 Cb -0.12 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 3mhx s ARG 62 CO 0.02 0.50 -0.21 -0.06 0.02 0.00 0.00 175.30 175.57 3mhx s PHE 63 N -0.38 1.82 -0.25 -0.53 0.08 -0.04 -4.97 117.98 113.70 3mhx s PHE 63 Ca 0.05 -0.40 -0.09 0.00 0.12 0.00 0.00 56.93 56.61 3mhx s PHE 63 Cb -0.12 -1.04 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 3mhx s PHE 63 CO 0.02 0.16 0.14 0.00 -0.10 0.00 0.00 175.22 175.44 3mhx s ALA 64 N -0.99 3.42 0.03 5.36 0.00 -1.26 -1.25 121.76 127.07 3mhx s ALA 64 Ca 0.07 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.06 3mhx s ALA 64 Cb -0.09 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 3mhx s ALA 64 CO 0.03 -0.40 -0.18 -0.51 0.00 0.00 0.00 175.76 174.71 3mhx s LEU 65 N 1.46 2.14 0.64 0.00 1.43 -0.11 -4.91 118.68 119.33 3mhx s LEU 65 Ca 0.06 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3mhx s LEU 65 Cb -0.15 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 3mhx s LEU 65 CO 0.07 0.13 1.05 -0.13 0.23 0.00 0.00 176.35 177.69 3mhx s ARG 66 N -1.01 3.36 0.27 1.70 0.52 -1.26 -0.50 118.95 122.04 3mhx s ARG 66 Ca 0.05 0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 55.88 3mhx s ARG 66 Cb -0.08 -2.07 0.41 0.00 0.52 0.00 0.00 34.95 33.73 3mhx s ARG 66 CO 0.01 -0.71 1.91 0.82 0.02 0.00 0.00 175.30 177.35 3mhx h ILE 67 N -0.42 1.14 0.00 1.52 2.04 -1.98 -1.04 117.51 118.77 3mhx h ILE 67 Ca -0.44 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3mhx h ILE 67 Cb 1.21 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3mhx h ILE 67 CO 0.63 0.22 -0.08 0.77 0.00 0.00 0.00 178.15 179.68 3mhx h SER 68 N 1.18 0.00 0.18 1.72 4.64 -1.99 0.13 113.55 119.41 3mhx h SER 68 Ca 0.40 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.44 3mhx h SER 68 Cb 0.07 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3mhx h SER 68 CO -0.13 0.08 -1.26 -0.33 -0.87 0.00 0.00 176.83 174.32 3mhx h GLU 69 N 0.00 0.37 0.00 4.77 5.08 -1.63 -3.33 114.58 119.84 3mhx h GLU 69 Ca -0.00 -0.64 -0.07 0.00 -1.00 0.00 0.00 59.36 57.65 3mhx h GLU 69 Cb 0.15 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3mhx h GLU 69 CO 0.01 1.31 -0.34 0.00 -1.00 0.00 0.00 179.01 178.99 3mhx h ALA 70 N 0.08 1.26 0.00 3.43 0.00 -0.88 -2.77 119.26 120.38 3mhx h ALA 70 Ca -0.24 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3mhx h ALA 70 Cb 1.88 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3mhx h ALA 70 CO 0.17 0.43 0.00 1.17 0.00 0.00 0.00 179.25 181.02 3mhx n LYS 71 N -3.87 0.16 0.17 0.00 4.81 0.00 -1.57 118.16 117.86 3mhx n LYS 71 Ca -0.01 0.54 0.05 0.00 -0.87 0.00 0.00 58.31 58.02 3mhx n LYS 71 Cb 0.41 -1.91 0.13 0.00 0.02 0.00 0.00 35.03 33.68 3mhx n LYS 71 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3mhx h ARG 72 N 0.00 0.00 -5.66 1.64 3.08 -1.65 -3.44 114.38 108.36 3mhx h ARG 72 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3mhx h ARG 72 Cb 0.16 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.08 3mhx h ARG 72 CO 0.00 0.38 0.28 0.08 -1.07 0.00 0.00 179.97 179.63 3mhx s VAL 73 N -3.14 4.74 -0.08 2.04 1.01 -0.61 -0.23 120.40 124.13 3mhx s VAL 73 Ca 0.04 0.45 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 3mhx s VAL 73 Cb 0.08 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3mhx s VAL 73 CO 0.71 -0.59 0.64 -0.69 0.00 0.00 0.00 175.10 175.18 3mhx s VAL 74 N 3.07 5.08 0.24 2.92 1.01 0.14 -0.64 120.40 132.22 3mhx s VAL 74 Ca 0.28 1.32 0.11 0.00 0.00 0.00 0.00 61.98 63.68 3mhx s VAL 74 Cb -0.13 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3mhx s VAL 74 CO 0.20 0.27 -0.17 0.68 0.00 0.00 0.00 175.10 176.07 3mhx s VAL 75 N 0.79 2.67 -0.55 2.92 -7.23 -0.72 0.06 120.40 118.34 3mhx s VAL 75 Ca 0.34 -2.14 -0.26 0.00 -1.81 0.00 0.00 61.98 58.11 3mhx s VAL 75 Cb -0.17 -2.36 0.03 0.00 0.56 0.00 0.00 36.38 34.44 3mhx s VAL 75 CO 0.16 -0.28 1.05 -0.62 -0.31 0.00 0.00 175.10 175.10 3mhx s ASP 76 N -3.21 6.42 0.37 4.85 3.68 -0.05 -4.36 116.67 124.37 3mhx s ASP 76 Ca 0.27 -0.06 0.10 0.00 2.13 0.00 0.00 52.55 54.99 3mhx s ASP 76 Cb -0.06 -2.49 0.85 0.00 -1.45 0.00 0.00 42.92 39.76 3mhx s ASP 76 CO 0.14 -1.30 1.88 0.00 0.13 0.00 0.00 175.17 176.02 3mhx h ALA 77 N 9.37 1.87 0.00 3.66 0.00 -1.90 -0.79 119.26 131.46 3mhx h ALA 77 Ca -0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3mhx h ALA 77 Cb 1.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3mhx h ALA 77 CO 1.12 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 180.27 3mhx n ALA 78 N -2.45 2.36 1.10 0.00 0.00 -1.26 -2.93 120.51 117.33 3mhx n ALA 78 Ca 0.17 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3mhx n ALA 78 Cb 0.47 -1.43 0.15 0.00 0.00 0.00 0.00 19.45 18.64 3mhx n ALA 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mhx n SER 79 N -1.24 2.05 -4.73 0.00 3.41 -0.30 -4.97 113.62 107.83 3mhx n SER 79 Ca 0.14 -1.53 -0.42 0.00 -0.26 0.00 0.00 58.87 56.80 3mhx n SER 79 Cb 0.19 0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 3mhx n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mhx n GLN 80 N 0.25 2.44 -3.72 4.33 6.02 -1.15 -4.53 117.38 121.03 3mhx n GLN 80 Ca 0.12 0.86 -0.13 0.00 -0.01 0.00 0.00 57.00 57.84 3mhx n GLN 80 Cb 0.47 -2.56 -0.14 0.00 1.02 0.00 0.00 30.24 29.04 3mhx n GLN 80 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3mhx s GLU 81 N -1.36 0.16 0.04 -1.09 2.12 -0.48 -4.98 118.70 113.11 3mhx s GLU 81 Ca 0.59 0.53 -0.30 0.00 0.36 0.00 0.00 54.97 56.14 3mhx s GLU 81 Cb -0.53 -0.13 -0.05 0.00 0.26 0.00 0.00 34.13 33.68 3mhx s GLU 81 CO 0.57 -0.19 1.19 0.50 -0.54 0.00 0.00 175.26 176.79 3mhx s ARG 82 N 1.47 4.43 -1.06 4.30 3.52 -1.26 -1.43 118.95 128.91 3mhx s ARG 82 Ca -0.07 1.73 -0.02 0.00 -0.13 0.00 0.00 55.73 57.24 3mhx s ARG 82 Cb -0.11 -3.40 0.30 0.00 -1.56 0.00 0.00 34.95 30.18 3mhx s ARG 82 CO -0.08 -0.28 1.88 0.54 -0.81 0.00 0.00 175.30 176.55 3mhx n ARG 83 N 4.17 5.32 0.00 5.12 5.12 0.29 -4.97 116.66 131.71 3mhx n ARG 83 Ca 0.09 -4.53 0.16 0.00 -1.93 0.00 0.00 57.85 51.64 3mhx n ARG 83 Cb 0.47 -2.49 0.91 0.00 -1.16 0.00 0.00 32.46 30.19 3mhx n ARG 83 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70