#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 4.61 0.28 0.00 0.00 -1.26 -5.01 119.30 117.93 3mhx s MET 1 Ca 0.00 1.22 0.11 0.00 0.00 0.00 0.00 55.69 57.02 3mhx s MET 1 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 34.83 31.50 3mhx s MET 1 CO 0.00 0.50 -0.15 0.95 0.00 0.00 0.00 175.02 176.32 3mhx s THR 2 N -0.94 2.68 0.48 10.11 -4.23 -1.26 -0.89 115.64 121.60 3mhx s THR 2 Ca 0.38 -2.29 0.16 0.00 -1.18 0.00 0.00 61.69 58.75 3mhx s THR 2 Cb -0.23 -2.44 0.31 0.00 1.34 0.00 0.00 72.50 71.48 3mhx s THR 2 CO 0.27 -0.39 2.07 0.25 -0.54 0.00 0.00 174.62 176.28 3mhx h LEU 3 N 2.17 0.17 -1.27 4.79 5.85 -0.53 -0.20 115.31 126.29 3mhx h LEU 3 Ca -0.41 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3mhx h LEU 3 Cb 1.26 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3mhx h LEU 3 CO 0.60 0.11 0.00 0.77 -0.34 0.00 0.00 178.44 179.59 3mhx h SER 4 N 0.19 0.00 -0.02 1.25 4.64 -1.80 -1.68 113.55 116.13 3mhx h SER 4 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3mhx h SER 4 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3mhx h SER 4 CO -0.02 0.00 -0.20 -0.62 -0.87 0.00 0.00 176.83 175.11 3mhx n GLU 5 N -2.31 1.61 -2.09 4.77 1.02 -0.09 -4.96 120.64 118.58 3mhx n GLU 5 Ca -0.00 -1.25 -0.42 0.00 -0.02 0.00 0.00 57.16 55.46 3mhx n GLU 5 Cb 0.11 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.92 4.30 0.70 -4.62 2.96 -0.63 -4.98 118.68 114.49 3mhx s LEU 6 Ca 0.19 2.16 -0.16 0.00 -0.22 0.00 0.00 54.13 56.10 3mhx s LEU 6 Cb 0.15 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.32 3mhx s LEU 6 CO 0.36 -0.87 1.22 -2.84 -1.32 0.00 0.00 176.35 172.90 3mhx s PRO 7 N 3.60 2.32 0.27 0.98 0.02 -1.26 -4.77 135.00 136.17 3mhx s PRO 7 Ca 0.69 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 63.23 3mhx s PRO 7 Cb -0.32 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.22 3mhx s PRO 7 CO 0.27 -1.71 1.33 -0.11 -0.33 0.00 0.00 177.00 176.46 3mhx n LEU 8 N -2.43 3.09 -3.63 -5.54 7.94 -1.26 -2.33 117.00 112.83 3mhx n LEU 8 Ca 0.14 1.17 -0.24 0.00 -1.11 0.00 0.00 56.01 55.96 3mhx n LEU 8 Cb 0.50 -1.43 0.07 0.00 0.53 0.00 0.00 43.42 43.09 3mhx n LEU 8 CO 0.47 -0.58 0.19 1.41 -1.11 0.00 0.00 177.39 177.77 3mhx n HIS 9 N 1.28 -2.65 -4.19 1.96 8.25 0.26 -4.93 115.22 115.21 3mhx n HIS 9 Ca 0.09 0.98 -0.17 0.00 -0.26 0.00 0.00 57.72 58.37 3mhx n HIS 9 Cb 0.33 -4.85 -0.12 0.00 1.12 0.00 0.00 29.99 26.46 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 -3.34 0.84 0.26 1.59 2.01 -0.99 -0.73 115.64 115.29 3mhx s THR 10 Ca 0.48 -1.01 0.11 0.00 0.31 0.00 0.00 61.69 61.58 3mhx s THR 10 Cb -0.22 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 3mhx s THR 10 CO 0.75 -0.17 -0.14 -0.94 -0.69 0.00 0.00 174.62 173.43 3mhx s SER 11 N -1.32 3.91 0.16 3.53 1.04 -0.14 -1.83 113.70 119.05 3mhx s SER 11 Ca -0.03 -0.87 -0.18 0.00 0.48 0.00 0.00 55.95 55.35 3mhx s SER 11 Cb -0.08 -0.49 0.04 0.00 0.10 0.00 0.00 66.02 65.58 3mhx s SER 11 CO 0.01 0.04 0.48 0.00 0.98 0.00 0.00 173.24 174.75 3mhx s ALA 12 N -2.34 -1.02 -0.17 5.32 0.00 -0.44 -1.35 121.76 121.76 3mhx s ALA 12 Ca 0.29 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 3mhx s ALA 12 Cb -0.06 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 3mhx s ALA 12 CO 0.16 -0.72 0.22 0.08 0.00 0.00 0.00 175.76 175.49 3mhx s VAL 13 N -3.82 5.36 0.31 0.00 1.01 -1.26 -0.74 120.40 121.26 3mhx s VAL 13 Ca 0.05 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 3mhx s VAL 13 Cb 0.00 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 3mhx s VAL 13 CO -0.08 0.43 1.23 -0.69 0.00 0.00 0.00 175.10 175.99 3mhx s VAL 14 N 0.28 2.99 -0.24 2.92 1.01 0.13 -0.83 120.40 126.67 3mhx s VAL 14 Ca 0.13 1.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.96 3mhx s VAL 14 Cb -0.12 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 3mhx s VAL 14 CO 0.02 0.24 -0.34 1.21 0.00 0.00 0.00 175.10 176.22 3mhx n GLU 15 N 0.92 0.55 -3.93 2.72 2.13 0.77 -1.58 120.64 122.22 3mhx n GLU 15 Ca -0.00 0.24 -0.01 0.00 0.66 0.00 0.00 57.16 58.04 3mhx n GLU 15 Cb 0.43 -1.44 0.02 0.00 0.27 0.00 0.00 31.44 30.72 3mhx n GLU 15 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3mhx s SER 16 N -6.96 0.01 -0.16 4.31 1.04 -1.15 -4.00 113.70 106.79 3mhx s SER 16 Ca -0.35 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.60 3mhx s SER 16 Cb 0.11 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.61 3mhx s SER 16 CO 0.46 -0.72 -0.20 -0.69 0.98 0.00 0.00 173.24 173.07 3mhx s VAL 17 N -2.08 2.16 -0.16 5.02 1.01 -1.26 -1.00 120.40 124.09 3mhx s VAL 17 Ca 0.25 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 3mhx s VAL 17 Cb -0.02 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3mhx s VAL 17 CO 0.03 0.54 0.16 0.00 0.00 0.00 0.00 175.10 175.83 3mhx s GLN 18 N 1.08 3.95 0.42 2.72 -2.07 0.69 -5.00 119.66 121.44 3mhx s GLN 18 Ca -0.00 -0.13 -0.26 0.00 -1.82 0.00 0.00 55.36 53.15 3mhx s GLN 18 Cb -0.14 -3.34 -0.08 0.00 -1.09 0.00 0.00 33.01 28.36 3mhx s GLN 18 CO -0.07 0.46 1.29 -0.51 -1.32 0.00 0.00 175.29 175.13 3mhx s ASP 19 N -0.13 6.26 0.00 12.60 1.01 -1.26 -4.67 116.67 130.48 3mhx s ASP 19 Ca 0.12 2.61 0.14 0.00 0.71 0.00 0.00 52.55 56.13 3mhx s ASP 19 Cb -0.12 -2.63 -0.19 0.00 1.01 0.00 0.00 42.92 40.99 3mhx s ASP 19 CO 0.01 -0.88 0.74 -0.11 0.21 0.00 0.00 175.17 175.14 3mhx n LEU 20 N 0.02 0.88 -3.90 1.23 -0.00 -1.26 -4.98 117.00 109.00 3mhx n LEU 20 Ca 0.04 0.41 -0.08 0.00 -0.00 0.00 0.00 56.01 56.38 3mhx n LEU 20 Cb 0.44 0.13 -0.02 0.00 -0.00 0.00 0.00 43.42 43.96 3mhx n LEU 20 CO 0.55 0.28 0.38 -1.38 -0.00 0.00 0.00 177.39 177.22 3mhx s HIS 21 N -2.73 0.10 0.42 1.96 -3.43 -1.26 -5.13 115.29 105.21 3mhx s HIS 21 Ca -0.04 -0.55 -0.25 0.00 -0.80 0.00 0.00 55.06 53.42 3mhx s HIS 21 Cb 0.08 0.54 -0.08 0.00 -1.43 0.00 0.00 32.58 31.69 3mhx s HIS 21 CO 0.82 -1.22 1.28 0.00 -2.00 0.00 0.00 174.74 173.61 3mhx s ALA 22 N -3.61 3.18 -1.13 -1.38 0.00 -1.26 -3.32 121.76 114.24 3mhx s ALA 22 Ca 0.16 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.27 3mhx s ALA 22 Cb -0.04 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3mhx s ALA 22 CO 0.09 -0.82 0.93 -1.71 0.00 0.00 0.00 175.76 174.25 3mhx n ASN 23 N -0.03 -4.48 -4.46 0.00 4.05 -1.26 -4.92 115.26 104.16 3mhx n ASN 23 Ca 0.05 -0.69 -0.43 0.00 0.45 0.00 0.00 54.58 53.95 3mhx n ASN 23 Cb 0.44 -5.04 -0.04 0.00 1.23 0.00 0.00 39.78 36.38 3mhx n ASN 23 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3mhx s ASP 24 N -3.83 6.25 0.30 1.20 -1.08 -1.21 -4.90 116.67 113.41 3mhx s ASP 24 Ca 0.25 -1.13 0.04 0.00 -0.52 0.00 0.00 52.55 51.20 3mhx s ASP 24 Cb -0.04 -2.43 0.49 0.00 -1.46 0.00 0.00 42.92 39.48 3mhx s ASP 24 CO 0.75 -1.42 1.76 0.00 0.52 0.00 0.00 175.17 176.78 3mhx h ALA 25 N 9.50 1.19 -0.61 3.66 0.00 -1.92 -2.59 119.26 128.49 3mhx h ALA 25 Ca -0.20 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 3mhx h ALA 25 Cb 1.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3mhx h ALA 25 CO 1.19 0.52 0.12 0.82 0.00 0.00 0.00 179.25 181.90 3mhx h ILE 26 N 0.36 1.26 -0.69 0.00 2.04 -1.99 -1.41 117.51 117.07 3mhx h ILE 26 Ca 0.06 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 3mhx h ILE 26 Cb 0.62 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3mhx h ILE 26 CO 0.04 0.36 0.24 0.00 0.00 0.00 0.00 178.15 178.79 3mhx h ALA 27 N 1.03 1.12 -0.64 1.87 0.00 -1.87 -1.53 119.26 119.24 3mhx h ALA 27 Ca 0.19 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3mhx h ALA 27 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3mhx h ALA 27 CO 0.01 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.94 3mhx h ARG 28 N 1.01 1.07 -0.56 0.00 3.08 -1.09 -2.15 114.38 115.75 3mhx h ARG 28 Ca 0.23 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3mhx h ARG 28 Cb 0.25 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3mhx h ARG 28 CO -0.01 1.00 0.09 0.00 -1.07 0.00 0.00 179.97 179.98 3mhx h ARG 29 N 1.00 0.89 -0.48 0.04 2.47 -0.75 -1.58 114.38 115.97 3mhx h ARG 29 Ca 0.19 -0.21 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 3mhx h ARG 29 Cb 0.47 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 3mhx h ARG 29 CO 0.02 0.82 -0.03 -0.07 0.56 0.00 0.00 179.97 181.27 3mhx h LEU 30 N 0.84 0.85 -0.79 3.04 3.38 -1.02 0.62 115.31 122.23 3mhx h LEU 30 Ca 0.17 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3mhx h LEU 30 Cb 0.37 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3mhx h LEU 30 CO 0.01 0.97 0.43 0.03 0.09 0.00 0.00 178.44 179.97 3mhx h ARG 31 N 0.71 1.10 0.00 1.13 3.08 -1.09 -1.84 114.38 117.47 3mhx h ARG 31 Ca 0.13 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3mhx h ARG 31 Cb 0.55 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3mhx h ARG 31 CO 0.03 0.81 -0.38 0.93 -1.07 0.00 0.00 179.97 180.29 3mhx h GLU 32 N 1.09 0.00 0.00 0.04 5.08 -1.03 -2.94 114.58 116.83 3mhx h GLU 32 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3mhx h GLU 32 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3mhx h GLU 32 CO -0.05 0.38 0.00 1.28 -1.00 0.00 0.00 179.01 179.63 3mhx n LEU 33 N -3.63 0.00 0.00 1.33 4.77 0.19 -4.87 117.00 114.78 3mhx n LEU 33 Ca -0.01 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3mhx n LEU 33 Cb 0.49 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3mhx n LEU 33 CO 0.37 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3mhx n GLY 34 N 0.69 0.81 3.56 -0.72 0.00 -1.11 -5.01 105.19 103.41 3mhx n GLY 34 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 2.82 0.26 1.61 0.08 -0.92 -4.84 117.98 114.99 3mhx s PHE 35 Ca 0.00 -1.55 0.07 0.00 0.12 0.00 0.00 56.93 55.57 3mhx s PHE 35 Cb 0.00 -4.70 -0.05 0.00 -0.57 0.00 0.00 43.02 37.70 3mhx s PHE 35 CO 0.00 -1.78 -0.08 0.14 -0.10 0.00 0.00 175.22 173.40 3mhx s VAL 36 N 4.05 1.67 0.07 -0.44 -7.23 -1.26 -4.44 120.40 112.80 3mhx s VAL 36 Ca 0.51 -2.15 -0.34 0.00 -1.81 0.00 0.00 61.98 58.19 3mhx s VAL 36 Cb 0.02 -2.34 -0.13 0.00 0.56 0.00 0.00 36.38 34.50 3mhx s VAL 36 CO 0.04 -0.38 1.71 1.17 -0.31 0.00 0.00 175.10 177.33 3mhx n LYS 37 N -0.53 2.20 0.00 4.82 4.81 -1.26 -1.66 118.16 126.55 3mhx n LYS 37 Ca -0.06 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 3mhx n LYS 37 Cb 0.63 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 33.07 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 3.83 3.45 3.78 3.14 0.00 -0.62 -4.99 105.19 113.78 3mhx n GLY 38 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3mhx n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mhx s GLU 39 N -0.90 4.45 0.00 1.61 2.56 -0.66 -4.79 118.70 120.98 3mhx s GLU 39 Ca 0.00 1.44 -0.16 0.00 0.00 0.00 0.00 54.97 56.26 3mhx s GLU 39 Cb 0.00 -2.76 -0.06 0.00 2.00 0.00 0.00 34.13 33.31 3mhx s GLU 39 CO 0.00 0.13 0.44 -2.00 -0.56 0.00 0.00 175.26 173.27 3mhx s GLU 40 N -2.13 4.00 0.01 4.30 2.12 -1.26 -0.69 118.70 125.05 3mhx s GLU 40 Ca 0.52 0.47 0.06 0.00 0.36 0.00 0.00 54.97 56.37 3mhx s GLU 40 Cb -0.21 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 3mhx s GLU 40 CO 0.27 0.64 -0.18 0.54 -0.54 0.00 0.00 175.26 175.99 3mhx s VAL 41 N -0.95 1.42 -0.06 3.70 0.11 0.09 -4.56 120.40 120.14 3mhx s VAL 41 Ca 0.25 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 3mhx s VAL 41 Cb -0.17 -1.20 0.01 0.00 -1.53 0.00 0.00 36.38 33.48 3mhx s VAL 41 CO 0.14 0.30 -0.15 -0.13 -3.33 0.00 0.00 175.10 171.92 3mhx s ARG 42 N -0.69 1.90 -0.58 1.54 0.52 -0.64 -1.32 118.95 119.68 3mhx s ARG 42 Ca 0.06 -0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 54.49 3mhx s ARG 42 Cb -0.07 -1.56 0.04 0.00 0.52 0.00 0.00 34.95 33.88 3mhx s ARG 42 CO 0.00 0.11 1.03 1.41 0.02 0.00 0.00 175.30 177.87 3mhx s MET 43 N 0.43 3.34 -0.14 3.54 -2.45 -0.76 -0.13 119.30 123.12 3mhx s MET 43 Ca -0.12 -0.20 0.17 0.00 -1.25 0.00 0.00 55.69 54.28 3mhx s MET 43 Cb -0.15 -4.07 -0.24 0.00 1.25 0.00 0.00 34.83 31.62 3mhx s MET 43 CO 0.04 -1.62 0.27 0.28 1.05 0.00 0.00 175.02 175.04 3mhx n VAL 44 N 6.29 1.41 0.00 10.11 0.31 -0.06 -0.58 118.33 135.81 3mhx n VAL 44 Ca 0.03 -0.83 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 3mhx n VAL 44 Cb 0.48 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 3mhx n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mhx n ALA 45 N -2.67 0.34 -1.59 3.52 0.00 -1.14 -4.77 120.51 114.20 3mhx n ALA 45 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3mhx n ALA 45 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.56 3mhx n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mhx n LYS 46 N -1.11 2.39 0.00 0.00 4.01 -1.26 -4.90 118.16 117.29 3mhx n LYS 46 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3mhx n LYS 46 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3mhx n LYS 46 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mhx n GLY 47 N 5.00 0.99 3.35 0.72 0.00 -1.26 -4.37 105.19 109.62 3mhx n GLY 47 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3mhx n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mhx s GLU 52 N -0.38 1.30 0.65 1.61 2.02 -1.26 -4.44 118.70 118.21 3mhx s GLU 52 Ca 0.00 -1.28 -0.11 0.00 0.02 0.00 0.00 54.97 53.60 3mhx s GLU 52 Cb 0.00 -1.72 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 3mhx s GLU 52 CO 0.00 0.40 1.04 -1.25 0.02 0.00 0.00 175.26 175.48 3mhx s PRO 53 N -2.00 3.28 -0.43 0.39 0.04 -1.26 -5.11 135.00 129.91 3mhx s PRO 53 Ca 0.11 0.87 -0.19 0.00 0.04 0.00 0.00 61.00 61.83 3mhx s PRO 53 Cb -0.10 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.43 3mhx s PRO 53 CO 0.05 -0.83 0.56 -0.51 0.04 0.00 0.00 177.00 176.32 3mhx s LEU 54 N -5.31 4.65 -0.45 -3.56 1.43 0.52 -4.04 118.68 111.93 3mhx s LEU 54 Ca 0.57 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.99 3mhx s LEU 54 Cb -0.13 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.53 3mhx s LEU 54 CO 0.53 -0.70 0.61 -0.22 0.23 0.00 0.00 176.35 176.80 3mhx s LEU 55 N 2.55 4.61 -0.03 1.79 2.96 -1.26 0.06 118.68 129.37 3mhx s LEU 55 Ca 0.18 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 3mhx s LEU 55 Cb -0.15 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 3mhx s LEU 55 CO 0.17 -0.77 -0.08 0.68 -1.32 0.00 0.00 176.35 175.03 3mhx s VAL 56 N 2.71 3.56 -0.12 1.68 -7.23 0.39 -0.88 120.40 120.51 3mhx s VAL 56 Ca 0.20 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 3mhx s VAL 56 Cb -0.15 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 3mhx s VAL 56 CO 0.17 0.48 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.74 3mhx s GLN 57 N -1.14 3.23 -0.20 4.82 0.74 0.81 -0.14 119.66 127.79 3mhx s GLN 57 Ca 0.15 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.88 3mhx s GLN 57 Cb -0.11 -2.59 0.05 0.00 1.10 0.00 0.00 33.01 31.45 3mhx s GLN 57 CO 0.05 0.29 -0.07 0.08 -0.55 0.00 0.00 175.29 175.08 3mhx s VAL 58 N 0.14 1.44 0.00 1.34 1.01 -0.46 -1.62 120.40 122.26 3mhx s VAL 58 Ca -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3mhx s VAL 58 Cb -0.15 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3mhx s VAL 58 CO 0.05 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3mhx n GLY 59 N 4.74 3.06 1.37 4.51 0.00 -1.26 -1.78 105.19 115.84 3mhx n GLY 59 Ca -0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 13.44 1.54 -5.18 1.61 3.72 -1.26 -4.95 117.46 126.38 3mhx n PHE 60 Ca 0.00 -1.44 -0.31 0.00 -0.05 0.00 0.00 57.45 55.65 3mhx n PHE 60 Cb 0.00 -0.55 -0.17 0.00 -0.94 0.00 0.00 39.48 37.82 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 -3.14 2.00 -0.23 4.37 2.01 -0.73 -5.11 115.64 114.80 3mhx s THR 61 Ca 0.47 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 3mhx s THR 61 Cb 0.41 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 3mhx s THR 61 CO 0.05 0.55 0.02 -0.13 -0.69 0.00 0.00 174.62 174.42 3mhx s ARG 62 N 0.33 3.56 -0.17 4.92 0.52 -1.26 -1.35 118.95 125.49 3mhx s ARG 62 Ca -0.18 -0.53 -0.05 0.00 -0.52 0.00 0.00 55.73 54.45 3mhx s ARG 62 Cb -0.18 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 3mhx s ARG 62 CO 0.08 -0.16 0.00 -0.06 0.02 0.00 0.00 175.30 175.18 3mhx s PHE 63 N 1.48 3.10 -0.53 -0.53 0.08 0.80 -4.93 117.98 117.45 3mhx s PHE 63 Ca 0.06 -0.21 -0.19 0.00 0.12 0.00 0.00 56.93 56.71 3mhx s PHE 63 Cb -0.15 -2.02 0.07 0.00 -0.57 0.00 0.00 43.02 40.35 3mhx s PHE 63 CO 0.01 -0.01 0.65 0.00 -0.10 0.00 0.00 175.22 175.77 3mhx s ALA 64 N 0.49 3.39 0.04 5.36 0.00 -1.26 -0.46 121.76 129.31 3mhx s ALA 64 Ca -0.01 -1.87 0.03 0.00 0.00 0.00 0.00 51.96 50.10 3mhx s ALA 64 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3mhx s ALA 64 CO 0.02 -2.11 0.02 -0.51 0.00 0.00 0.00 175.76 173.18 3mhx s LEU 65 N 2.67 3.58 0.55 0.00 1.43 0.11 -4.87 118.68 122.15 3mhx s LEU 65 Ca 0.14 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3mhx s LEU 65 Cb -0.20 -2.17 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 3mhx s LEU 65 CO 0.10 0.23 0.84 0.00 0.23 0.00 0.00 176.35 177.76 3mhx s ARG 66 N -1.93 3.09 0.26 1.70 1.70 -1.26 -0.35 118.95 122.15 3mhx s ARG 66 Ca 0.23 -0.02 -0.04 0.00 -0.47 0.00 0.00 55.73 55.43 3mhx s ARG 66 Cb -0.12 -2.33 0.33 0.00 -0.57 0.00 0.00 34.95 32.26 3mhx s ARG 66 CO 0.15 -0.53 1.92 0.82 -1.08 0.00 0.00 175.30 176.58 3mhx h ILE 67 N -0.01 1.20 0.00 4.99 2.04 -1.98 -1.77 117.51 121.97 3mhx h ILE 67 Ca -0.46 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 3mhx h ILE 67 Cb 1.24 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3mhx h ILE 67 CO 0.60 0.23 -0.12 0.77 0.00 0.00 0.00 178.15 179.64 3mhx h SER 68 N 1.28 0.00 0.15 1.72 4.64 -1.99 0.62 113.55 119.97 3mhx h SER 68 Ca 0.39 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.47 3mhx h SER 68 Cb -0.04 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3mhx h SER 68 CO -0.11 0.12 -1.09 -0.33 -0.87 0.00 0.00 176.83 174.55 3mhx h GLU 69 N 0.00 0.31 0.00 4.77 5.08 -1.76 -3.33 114.58 119.65 3mhx h GLU 69 Ca -0.00 -0.53 -0.08 0.00 -1.00 0.00 0.00 59.36 57.75 3mhx h GLU 69 Cb 0.37 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3mhx h GLU 69 CO 0.02 1.25 -0.39 0.00 -1.00 0.00 0.00 179.01 178.89 3mhx h ALA 70 N 0.05 1.30 0.00 3.43 0.00 -1.02 -2.45 119.26 120.56 3mhx h ALA 70 Ca -0.21 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3mhx h ALA 70 Cb 1.75 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3mhx h ALA 70 CO 0.14 0.48 0.00 -0.22 0.00 0.00 0.00 179.25 179.65 3mhx h LYS 71 N 0.00 0.00 0.00 0.00 3.64 -0.99 -1.90 116.57 117.32 3mhx h LYS 71 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 3mhx h LYS 71 Cb 0.71 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 3mhx h LYS 71 CO 0.05 0.00 -0.61 0.00 -2.27 0.00 0.00 179.45 176.62 3mhx h ARG 72 N 0.00 0.00 -5.95 1.90 3.08 -1.57 -3.43 114.38 108.41 3mhx h ARG 72 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3mhx h ARG 72 Cb 0.25 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 3mhx h ARG 72 CO 0.00 0.61 0.55 0.08 -1.07 0.00 0.00 179.97 180.13 3mhx s VAL 73 N -3.30 4.69 -0.11 2.04 1.01 -0.72 -0.22 120.40 123.79 3mhx s VAL 73 Ca 0.01 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.18 3mhx s VAL 73 Cb 0.11 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3mhx s VAL 73 CO 0.75 -0.34 0.34 -0.69 0.00 0.00 0.00 175.10 175.16 3mhx s VAL 74 N 3.20 5.24 0.23 2.92 1.01 -0.17 -0.14 120.40 132.69 3mhx s VAL 74 Ca 0.37 0.67 0.10 0.00 0.00 0.00 0.00 61.98 63.11 3mhx s VAL 74 Cb -0.13 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3mhx s VAL 74 CO 0.14 0.44 -0.19 0.68 0.00 0.00 0.00 175.10 176.17 3mhx s VAL 75 N 0.04 2.16 -0.22 2.92 -7.23 -0.07 -0.16 120.40 117.84 3mhx s VAL 75 Ca 0.20 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 57.85 3mhx s VAL 75 Cb -0.14 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.67 3mhx s VAL 75 CO 0.07 -0.40 1.07 -0.62 -0.31 0.00 0.00 175.10 174.91 3mhx s ASP 76 N -3.21 7.08 0.31 4.85 3.68 -0.01 -4.20 116.67 125.18 3mhx s ASP 76 Ca 0.24 1.43 0.02 0.00 2.13 0.00 0.00 52.55 56.37 3mhx s ASP 76 Cb -0.04 -2.54 0.52 0.00 -1.45 0.00 0.00 42.92 39.41 3mhx s ASP 76 CO 0.11 -0.68 1.85 0.00 0.13 0.00 0.00 175.17 176.58 3mhx h ALA 77 N 7.55 1.31 0.00 3.66 0.00 -1.91 -2.49 119.26 127.37 3mhx h ALA 77 Ca -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3mhx h ALA 77 Cb 1.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3mhx h ALA 77 CO 0.98 0.48 0.00 0.00 0.00 0.00 0.00 179.25 180.70 3mhx h ALA 78 N 1.44 1.00 -0.00 0.00 0.00 -1.99 -3.12 119.26 116.59 3mhx h ALA 78 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mhx h ALA 78 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3mhx h ALA 78 CO 0.01 0.00 -0.13 -1.13 0.00 0.00 0.00 179.25 178.00 3mhx n SER 79 N -2.58 0.42 -4.70 0.00 3.41 -0.94 -4.94 113.62 104.30 3mhx n SER 79 Ca 0.03 -0.43 -0.41 0.00 -0.26 0.00 0.00 58.87 57.79 3mhx n SER 79 Cb 0.34 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.06 2.00 -3.77 4.33 6.02 -1.18 -4.51 117.38 119.22 3mhx n GLN 80 Ca 0.13 0.71 -0.13 0.00 -0.01 0.00 0.00 57.00 57.70 3mhx n GLN 80 Cb 0.29 -2.39 -0.13 0.00 1.02 0.00 0.00 30.24 29.03 3mhx n GLN 80 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3mhx s GLU 81 N -2.15 0.18 0.05 -1.09 2.02 -0.46 -4.97 118.70 112.27 3mhx s GLU 81 Ca 0.60 0.37 -0.30 0.00 0.02 0.00 0.00 54.97 55.66 3mhx s GLU 81 Cb -0.51 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 33.63 3mhx s GLU 81 CO 0.59 -0.11 1.03 1.03 0.02 0.00 0.00 175.26 177.82 3mhx s ARG 82 N 0.75 4.57 0.47 1.61 1.81 -1.26 -0.97 118.95 125.93 3mhx s ARG 82 Ca -0.05 1.52 0.04 0.00 -1.72 0.00 0.00 55.73 55.51 3mhx s ARG 82 Cb -0.07 -3.41 -0.03 0.00 -0.45 0.00 0.00 34.95 30.99 3mhx s ARG 82 CO -0.04 -0.03 0.06 1.03 -0.68 0.00 0.00 175.30 175.64 3mhx s ARG 83 N 0.71 2.13 0.00 3.54 1.81 0.09 -4.94 118.95 122.29 3mhx s ARG 83 Ca 0.52 -2.22 0.27 0.00 -1.72 0.00 0.00 55.73 52.59 3mhx s ARG 83 Cb -0.24 -1.66 0.92 0.00 -0.45 0.00 0.00 34.95 33.52 3mhx s ARG 83 CO 0.29 -0.26 1.67 0.00 -0.68 0.00 0.00 175.30 176.32