#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtn s MET 1 N 0.00 2.32 -0.02 1.57 0.23 -1.02 -5.01 119.30 117.38 3mtn s MET 1 Ca 0.00 -1.58 0.03 0.00 -1.03 0.00 0.00 55.69 53.12 3mtn s MET 1 Cb 0.00 -2.13 -0.00 0.00 -1.53 0.00 0.00 34.83 31.16 3mtn s MET 1 CO 0.00 0.13 -0.12 1.14 -2.03 0.00 0.00 175.02 174.14 3mtn s GLN 2 N -3.82 1.13 0.40 3.16 -2.07 -1.26 -1.53 119.66 115.67 3mtn s GLN 2 Ca 0.37 -0.42 0.07 0.00 -1.82 0.00 0.00 55.36 53.56 3mtn s GLN 2 Cb -0.02 -1.05 -0.08 0.00 -1.09 0.00 0.00 33.01 30.77 3mtn s GLN 2 CO 0.22 0.20 0.02 0.96 -1.32 0.00 0.00 175.29 175.37 3mtn s ILE 3 N -0.04 1.88 0.15 3.63 -4.36 -0.93 -1.76 121.20 119.77 3mtn s ILE 3 Ca 0.00 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.47 3mtn s ILE 3 Cb -0.07 -2.97 -0.04 0.00 1.25 0.00 0.00 42.46 40.63 3mtn s ILE 3 CO 0.00 0.00 -0.10 -0.36 0.24 0.00 0.00 174.94 174.72 3mtn s PHE 4 N -2.79 2.67 -0.20 1.37 0.08 0.11 -0.77 117.98 118.44 3mtn s PHE 4 Ca 0.35 -0.20 -0.02 0.00 0.12 0.00 0.00 56.93 57.18 3mtn s PHE 4 Cb 0.10 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 41.27 3mtn s PHE 4 CO 0.18 0.48 0.02 0.08 -0.10 0.00 0.00 175.22 175.87 3mtn s VAL 5 N -1.51 0.72 -0.13 -0.44 1.01 -0.41 -0.29 120.40 119.35 3mtn s VAL 5 Ca 0.23 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 3mtn s VAL 5 Cb -0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3mtn s VAL 5 CO 0.14 -0.20 1.34 -0.75 0.00 0.00 0.00 175.10 175.64 3mtn s LYS 6 N 1.77 4.23 0.62 2.72 2.20 0.58 -2.05 119.74 129.81 3mtn s LYS 6 Ca -0.02 1.79 -0.07 0.00 -0.36 0.00 0.00 55.97 57.31 3mtn s LYS 6 Cb -0.17 -3.78 0.14 0.00 -1.51 0.00 0.00 37.83 32.50 3mtn s LYS 6 CO -0.08 -0.71 0.84 0.25 -0.36 0.00 0.00 175.35 175.29 3mtn n THR 7 N 5.30 0.00 -0.19 3.43 -2.24 0.18 -1.53 114.28 119.23 3mtn n THR 7 Ca 0.14 -0.83 0.06 0.00 -2.27 0.00 0.00 64.05 61.15 3mtn n THR 7 Cb 0.44 -1.44 0.34 0.00 -2.10 0.00 0.00 70.33 67.58 3mtn n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3mtn h LEU 8 N 0.00 0.68 -1.23 3.22 4.07 -1.84 -2.39 115.31 117.82 3mtn h LEU 8 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3mtn h LEU 8 Cb 0.83 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.43 3mtn h LEU 8 CO 0.22 0.45 -0.07 0.35 -1.08 0.00 0.00 178.44 178.31 3mtn n THR 9 N -4.48 0.00 0.00 0.22 -2.24 -1.26 -4.96 114.28 101.57 3mtn n THR 9 Ca 0.11 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3mtn n THR 9 Cb 0.21 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3mtn n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mtn n GLY 10 N 1.27 2.56 3.64 3.38 0.00 -0.90 -5.05 105.19 110.10 3mtn n GLY 10 Ca 0.16 -0.33 -0.52 0.00 0.00 0.00 0.00 46.02 45.32 3mtn n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3mtn n LYS 11 N 0.00 1.43 -3.45 1.61 4.81 -1.26 -4.54 118.16 116.76 3mtn n LYS 11 Ca 0.00 0.52 -0.38 0.00 -0.87 0.00 0.00 58.31 57.58 3mtn n LYS 11 Cb 0.00 -2.21 -0.06 0.00 0.02 0.00 0.00 35.03 32.77 3mtn n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3mtn s THR 12 N 1.74 5.13 0.15 3.15 2.01 -1.26 -0.65 115.64 125.91 3mtn s THR 12 Ca 0.88 0.82 0.06 0.00 0.31 0.00 0.00 61.69 63.76 3mtn s THR 12 Cb -0.91 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 67.83 3mtn s THR 12 CO 0.51 0.47 0.03 0.27 -0.69 0.00 0.00 174.62 175.21 3mtn s ILE 13 N -0.28 3.96 -0.07 1.82 -4.36 -0.87 -4.96 121.20 116.44 3mtn s ILE 13 Ca 0.23 -1.25 0.01 0.00 -0.26 0.00 0.00 60.65 59.39 3mtn s ILE 13 Cb -0.15 -2.98 -0.03 0.00 1.25 0.00 0.00 42.46 40.55 3mtn s ILE 13 CO 0.11 -0.06 -0.09 -0.89 0.24 0.00 0.00 174.94 174.24 3mtn s THR 14 N -1.64 3.47 -0.04 8.37 2.01 -1.26 -1.29 115.64 125.26 3mtn s THR 14 Ca 0.28 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.77 3mtn s THR 14 Cb -0.10 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 3mtn s THR 14 CO 0.20 0.58 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.75 3mtn s LEU 15 N -0.60 1.99 -0.25 4.42 1.43 0.05 -4.98 118.68 120.73 3mtn s LEU 15 Ca 0.09 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.54 3mtn s LEU 15 Cb -0.12 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 3mtn s LEU 15 CO 0.02 0.21 0.85 -0.70 0.23 0.00 0.00 176.35 176.96 3mtn s GLU 16 N -0.17 4.16 0.26 1.70 2.56 -1.26 -2.20 118.70 123.74 3mtn s GLU 16 Ca -0.00 0.94 0.01 0.00 0.00 0.00 0.00 54.97 55.92 3mtn s GLU 16 Cb -0.11 -3.66 -0.04 0.00 2.00 0.00 0.00 34.13 32.32 3mtn s GLU 16 CO 0.02 -0.56 0.14 0.14 -0.56 0.00 0.00 175.26 174.43 3mtn s VAL 17 N 2.92 0.26 0.05 3.70 -7.23 -0.58 -5.01 120.40 114.51 3mtn s VAL 17 Ca 0.36 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 3mtn s VAL 17 Cb -0.15 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 3mtn s VAL 17 CO 0.08 0.00 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.11 3mtn s GLU 18 N -3.98 0.96 0.64 4.82 2.02 -1.26 -2.43 118.70 119.48 3mtn s GLU 18 Ca 0.38 -0.86 0.35 0.00 0.02 0.00 0.00 54.97 54.86 3mtn s GLU 18 Cb 0.06 -1.01 1.96 0.00 0.10 0.00 0.00 34.13 35.25 3mtn s GLU 18 CO 0.15 0.24 2.16 -1.35 0.02 0.00 0.00 175.26 176.48 3mtn h PRO 19 N 4.69 0.00 0.00 0.39 0.11 -1.95 0.95 132.00 136.19 3mtn h PRO 19 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3mtn h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3mtn h PRO 19 CO 0.43 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.65 3mtn n SER 20 N -3.24 0.61 -4.72 -2.05 7.64 -1.26 -1.29 113.62 109.30 3mtn n SER 20 Ca -0.01 0.64 -0.42 0.00 1.01 0.00 0.00 58.87 60.09 3mtn n SER 20 Cb 0.24 -0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 3mtn n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3mtn s ASP 21 N -4.13 6.72 0.39 6.43 1.01 0.33 -4.84 116.67 122.58 3mtn s ASP 21 Ca 0.05 2.49 -0.24 0.00 0.71 0.00 0.00 52.55 55.56 3mtn s ASP 21 Cb 0.10 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.33 3mtn s ASP 21 CO 0.39 -0.71 0.98 0.42 0.21 0.00 0.00 175.17 176.47 3mtn s THR 22 N 0.85 4.08 0.32 -1.27 -4.23 -1.26 -1.83 115.64 112.29 3mtn s THR 22 Ca 0.65 1.52 0.09 0.00 -1.18 0.00 0.00 61.69 62.77 3mtn s THR 22 Cb -0.40 -3.75 0.31 0.00 1.34 0.00 0.00 72.50 70.01 3mtn s THR 22 CO 0.33 -0.06 1.68 0.40 -0.54 0.00 0.00 174.62 176.43 3mtn h ILE 23 N 2.20 0.39 -0.73 2.99 5.03 -1.66 0.50 117.51 126.22 3mtn h ILE 23 Ca -0.48 -0.13 0.12 0.00 -0.12 0.00 0.00 64.86 64.25 3mtn h ILE 23 Cb 1.20 -0.02 -0.13 0.00 -3.03 0.00 0.00 36.82 34.84 3mtn h ILE 23 CO 0.63 0.07 -0.35 -0.33 -0.68 0.00 0.00 178.15 177.49 3mtn h GLU 24 N 0.37 -0.10 -0.12 2.37 5.08 -1.87 0.29 114.58 120.60 3mtn h GLU 24 Ca 0.65 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 59.05 3mtn h GLU 24 Cb 1.35 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 3mtn h GLU 24 CO -0.57 -0.07 -0.15 -0.91 -1.00 0.00 0.00 179.01 176.31 3mtn h ASN 25 N -0.10 -0.48 -0.51 1.42 -0.26 -0.38 0.11 115.58 115.38 3mtn h ASN 25 Ca 0.28 0.09 0.10 0.00 -0.56 0.00 0.00 56.30 56.20 3mtn h ASN 25 Cb 0.57 0.23 -0.08 0.00 -1.06 0.00 0.00 38.32 37.97 3mtn h ASN 25 CO -0.79 -0.20 0.02 0.58 -1.06 0.00 0.00 177.43 175.98 3mtn h VAL 26 N -0.19 0.61 -0.49 2.81 2.07 -1.03 -0.13 116.25 119.91 3mtn h VAL 26 Ca 0.09 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3mtn h VAL 26 Cb 0.33 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3mtn h VAL 26 CO -0.24 0.02 0.32 0.11 0.02 0.00 0.00 177.57 177.81 3mtn h LYS 27 N 0.14 0.60 -0.23 1.57 1.57 0.49 -0.76 116.57 119.96 3mtn h LYS 27 Ca 0.26 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 3mtn h LYS 27 Cb 0.39 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3mtn h LYS 27 CO -0.41 0.40 -0.35 0.00 -0.57 0.00 0.00 179.45 178.51 3mtn h ALA 28 N 1.70 0.97 -0.08 3.86 0.00 0.33 -1.58 119.26 124.46 3mtn h ALA 28 Ca 0.19 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3mtn h ALA 28 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3mtn h ALA 28 CO -0.04 0.61 -0.29 0.87 0.00 0.00 0.00 179.25 180.40 3mtn h LYS 29 N 0.41 0.15 -0.01 0.00 1.79 0.33 -2.03 116.57 117.21 3mtn h LYS 29 Ca 0.04 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 3mtn h LYS 29 Cb 0.81 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 3mtn h LYS 29 CO 0.07 0.43 -0.75 0.82 -1.08 0.00 0.00 179.45 178.94 3mtn h ILE 30 N 0.13 1.49 -0.16 1.86 2.04 -0.97 -3.16 117.51 118.75 3mtn h ILE 30 Ca 0.02 -2.45 -0.15 0.00 1.00 0.00 0.00 64.86 63.28 3mtn h ILE 30 Cb 0.59 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3mtn h ILE 30 CO 0.04 0.71 -0.55 -0.61 0.00 0.00 0.00 178.15 177.74 3mtn h GLN 31 N 0.06 0.47 0.00 2.37 4.15 -0.87 0.16 115.11 121.46 3mtn h GLN 31 Ca -0.02 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 3mtn h GLN 31 Cb 1.32 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.05 3mtn h GLN 31 CO 0.11 0.90 -0.03 -0.44 -1.93 0.00 0.00 178.83 177.44 3mtn h ASP 32 N 0.36 0.00 0.00 -0.69 3.32 -1.38 -2.64 116.42 115.39 3mtn h ASP 32 Ca 0.01 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 3mtn h ASP 32 Cb 1.08 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.57 3mtn h ASP 32 CO 0.10 0.03 -2.15 1.17 -1.72 0.00 0.00 179.24 176.67 3mtn n LYS 33 N -4.17 0.96 -0.00 3.56 4.81 -1.07 -4.80 118.16 117.45 3mtn n LYS 33 Ca -0.03 0.05 0.01 0.00 -0.87 0.00 0.00 58.31 57.47 3mtn n LYS 33 Cb 0.11 -1.42 -0.02 0.00 0.02 0.00 0.00 35.03 33.73 3mtn n LYS 33 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3mtn n GLU 34 N -2.84 0.88 0.00 1.64 4.07 0.55 -5.03 120.64 119.91 3mtn n GLU 34 Ca -0.31 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 56.77 3mtn n GLU 34 Cb 0.96 -1.06 0.00 0.00 -0.06 0.00 0.00 31.44 31.28 3mtn n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mtn n GLY 35 N 2.46 2.37 3.73 8.31 0.00 -1.00 -5.02 105.19 116.04 3mtn n GLY 35 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3mtn n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtn s ILE 36 N -2.27 3.81 0.35 -0.61 1.01 -1.26 -5.01 121.20 117.22 3mtn s ILE 36 Ca 0.00 1.42 -0.27 0.00 0.00 0.00 0.00 60.65 61.80 3mtn s ILE 36 Cb 0.00 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 3mtn s ILE 36 CO 0.00 0.18 1.12 -2.84 0.00 0.00 0.00 174.94 173.40 3mtn s PRO 37 N 0.30 4.31 0.34 2.79 0.02 -1.26 -4.22 135.00 137.29 3mtn s PRO 37 Ca 0.55 1.75 0.08 0.00 0.02 0.00 0.00 61.00 63.41 3mtn s PRO 37 Cb -0.31 -2.85 0.80 0.00 0.02 0.00 0.00 34.50 32.16 3mtn s PRO 37 CO 0.33 -0.07 1.85 -1.35 -0.33 0.00 0.00 177.00 177.43 3mtn h PRO 38 N 3.07 0.69 0.00 5.54 0.11 -1.95 -1.48 132.00 137.98 3mtn h PRO 38 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3mtn h PRO 38 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3mtn h PRO 38 CO 0.64 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 178.49 3mtn n ASP 39 N -4.60 0.00 -0.00 -2.05 5.75 -1.26 -2.07 116.55 112.32 3mtn n ASP 39 Ca 0.19 0.12 0.06 0.00 -0.01 0.00 0.00 54.79 55.15 3mtn n ASP 39 Cb 0.50 -0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 40.19 3mtn n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mtn n GLN 40 N -1.32 1.34 -2.59 0.11 6.02 -0.57 -5.00 117.38 115.37 3mtn n GLN 40 Ca 0.07 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.57 3mtn n GLN 40 Cb 0.13 -1.22 -0.04 0.00 1.02 0.00 0.00 30.24 30.14 3mtn n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3mtn s GLN 41 N -2.60 4.57 -0.16 -1.09 -0.21 -0.88 -4.21 119.66 115.08 3mtn s GLN 41 Ca -0.01 1.60 -0.01 0.00 0.02 0.00 0.00 55.36 56.96 3mtn s GLN 41 Cb 0.08 -3.36 -0.00 0.00 1.00 0.00 0.00 33.01 30.73 3mtn s GLN 41 CO 0.51 0.00 -0.13 1.03 -2.12 0.00 0.00 175.29 174.58 3mtn s ARG 42 N 0.37 3.28 -0.18 2.91 0.52 0.27 -4.95 118.95 121.16 3mtn s ARG 42 Ca 0.52 -0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 54.96 3mtn s ARG 42 Cb -0.26 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 3mtn s ARG 42 CO 0.31 0.01 -0.00 -0.51 0.02 0.00 0.00 175.30 175.13 3mtn s LEU 43 N 0.85 3.38 -0.21 2.53 1.02 -1.26 0.85 118.68 125.85 3mtn s LEU 43 Ca -0.04 -0.11 -0.04 0.00 0.02 0.00 0.00 54.13 53.97 3mtn s LEU 43 Cb -0.15 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 3mtn s LEU 43 CO -0.00 0.14 -0.04 -0.63 0.02 0.00 0.00 176.35 175.84 3mtn s ILE 44 N 0.58 3.54 -0.01 -0.59 -1.09 -0.15 -0.91 121.20 122.56 3mtn s ILE 44 Ca -0.01 -0.45 0.06 0.00 -2.23 0.00 0.00 60.65 58.02 3mtn s ILE 44 Cb -0.14 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 3mtn s ILE 44 CO 0.02 0.43 -0.18 0.12 -1.23 0.00 0.00 174.94 174.10 3mtn s PHE 45 N 1.22 1.64 -1.34 3.97 5.36 -0.74 -0.71 117.98 127.39 3mtn s PHE 45 Ca 0.03 -0.31 -0.14 0.00 -0.96 0.00 0.00 56.93 55.55 3mtn s PHE 45 Cb -0.14 -1.06 0.13 0.00 -0.34 0.00 0.00 43.02 41.61 3mtn s PHE 45 CO -0.01 -0.03 0.50 0.00 -1.46 0.00 0.00 175.22 174.23 3mtn n ALA 46 N 2.62 -1.13 -0.15 11.12 0.00 -1.26 -0.01 120.51 131.70 3mtn n ALA 46 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3mtn n ALA 46 Cb 0.54 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3mtn n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mtn n GLY 47 N -1.07 2.34 3.81 0.00 0.00 -1.26 -5.01 105.19 104.00 3mtn n GLY 47 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3mtn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtn s LYS 48 N -0.13 3.40 -0.07 1.61 1.02 0.99 -5.07 119.74 121.49 3mtn s LYS 48 Ca 0.00 -0.22 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 3mtn s LYS 48 Cb 0.00 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 3mtn s LYS 48 CO 0.00 0.70 1.06 -1.14 -0.92 0.00 0.00 175.35 175.06 3mtn s GLN 49 N -0.83 4.42 0.32 1.68 0.74 -1.26 -1.79 119.66 122.94 3mtn s GLN 49 Ca 0.13 1.49 -0.27 0.00 0.05 0.00 0.00 55.36 56.76 3mtn s GLN 49 Cb -0.12 -3.53 -0.09 0.00 1.10 0.00 0.00 33.01 30.37 3mtn s GLN 49 CO 0.03 -0.32 1.01 -0.51 -0.55 0.00 0.00 175.29 174.95 3mtn s LEU 50 N 1.90 4.40 -0.13 3.68 1.02 -0.08 -4.98 118.68 124.49 3mtn s LEU 50 Ca 0.51 2.02 -0.03 0.00 0.02 0.00 0.00 54.13 56.65 3mtn s LEU 50 Cb -0.21 -3.89 -0.03 0.00 0.02 0.00 0.00 46.19 42.08 3mtn s LEU 50 CO 0.21 -0.16 -0.01 -1.61 0.02 0.00 0.00 176.35 174.80 3mtn s GLU 51 N -1.86 3.38 0.17 1.70 2.02 -1.26 -4.71 118.70 118.14 3mtn s GLU 51 Ca 0.49 -0.44 -0.32 0.00 0.02 0.00 0.00 54.97 54.72 3mtn s GLU 51 Cb -0.24 -2.89 -0.12 0.00 0.10 0.00 0.00 34.13 30.98 3mtn s GLU 51 CO 0.31 0.47 1.76 -0.25 0.02 0.00 0.00 175.26 177.56 3mtn n ASP 52 N 2.87 3.94 0.00 -0.19 8.00 -1.26 -2.46 116.55 127.45 3mtn n ASP 52 Ca -0.18 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.36 3mtn n ASP 52 Cb 0.53 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 3mtn n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mtn n GLY 53 N 4.03 1.77 3.90 0.44 0.00 -1.26 -4.98 105.19 109.10 3mtn n GLY 53 Ca 0.17 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 3mtn n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mtn s ARG 54 N 0.00 3.28 0.36 1.61 1.81 -1.03 -4.92 118.95 120.06 3mtn s ARG 54 Ca 0.00 0.28 0.08 0.00 -1.72 0.00 0.00 55.73 54.37 3mtn s ARG 54 Cb 0.00 -2.24 -0.04 0.00 -0.45 0.00 0.00 34.95 32.22 3mtn s ARG 54 CO 0.00 -0.53 0.22 0.95 -0.68 0.00 0.00 175.30 175.26 3mtn s THR 55 N -2.98 2.99 0.21 0.02 -4.23 -1.26 -2.06 115.64 108.32 3mtn s THR 55 Ca 0.52 -1.55 -0.12 0.00 -1.18 0.00 0.00 61.69 59.36 3mtn s THR 55 Cb -0.11 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 70.91 3mtn s THR 55 CO 0.48 -0.12 1.65 -0.07 -0.54 0.00 0.00 174.62 176.01 3mtn h LEU 56 N 1.37 -0.39 -0.78 4.79 4.07 -1.39 -1.42 115.31 121.55 3mtn h LEU 56 Ca -0.43 0.17 0.09 0.00 0.08 0.00 0.00 57.88 57.79 3mtn h LEU 56 Cb 1.26 0.32 -0.07 0.00 1.08 0.00 0.00 40.66 43.24 3mtn h LEU 56 CO 0.62 -0.15 0.43 -1.28 -1.08 0.00 0.00 178.44 176.97 3mtn h SER 57 N 0.07 0.59 0.37 -0.43 0.87 -1.47 -1.45 113.55 112.10 3mtn h SER 57 Ca 0.32 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.90 3mtn h SER 57 Cb 0.52 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3mtn h SER 57 CO -0.58 0.34 -0.16 0.44 -0.53 0.00 0.00 176.83 176.34 3mtn h ASP 58 N 0.72 0.00 -0.31 6.23 3.32 -1.55 -2.06 116.42 122.76 3mtn h ASP 58 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3mtn h ASP 58 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3mtn h ASP 58 CO -0.26 0.16 0.00 -1.22 -1.72 0.00 0.00 179.24 176.20 3mtn n TYR 59 N -3.77 0.40 -3.70 4.55 4.01 -0.60 -4.96 117.16 113.09 3mtn n TYR 59 Ca -0.02 -0.20 -0.23 0.00 -0.16 0.00 0.00 57.90 57.30 3mtn n TYR 59 Cb 0.27 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.34 3mtn n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3mtn n ASN 60 N 1.09 -2.26 -4.52 7.72 2.85 -0.78 -4.95 115.26 114.41 3mtn n ASN 60 Ca 0.18 -0.77 -0.43 0.00 -0.11 0.00 0.00 54.58 53.45 3mtn n ASN 60 Cb 0.51 -4.22 -0.06 0.00 1.24 0.00 0.00 39.78 37.25 3mtn n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3mtn s ILE 61 N -3.54 4.73 0.86 -1.44 1.01 -0.88 -5.05 121.20 116.89 3mtn s ILE 61 Ca 0.16 0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 3mtn s ILE 61 Cb -0.08 -4.29 0.17 0.00 0.01 0.00 0.00 42.46 38.27 3mtn s ILE 61 CO 0.80 -0.70 1.19 -1.10 0.00 0.00 0.00 174.94 175.13 3mtn s GLN 62 N 3.08 1.09 0.57 2.79 -1.52 -1.26 -4.78 119.66 119.62 3mtn s GLN 62 Ca 0.25 -0.66 -0.20 0.00 -1.95 0.00 0.00 55.36 52.80 3mtn s GLN 62 Cb -0.14 -2.04 -0.04 0.00 -0.22 0.00 0.00 33.01 30.58 3mtn s GLN 62 CO 0.20 -2.01 1.29 0.15 -0.25 0.00 0.00 175.29 174.67 3mtn s LYS 63 N -5.59 3.04 -1.48 2.91 1.02 -1.26 -2.86 119.74 115.52 3mtn s LYS 63 Ca 0.71 2.07 0.00 0.00 0.02 0.00 0.00 55.97 58.77 3mtn s LYS 63 Cb -0.05 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3mtn s LYS 63 CO 0.49 -1.22 0.00 0.91 -0.92 0.00 0.00 175.35 174.62 3mtn n TRP 64 N -1.28 0.00 -2.39 3.18 5.03 -0.72 -4.98 117.44 116.28 3mtn n TRP 64 Ca 0.12 0.00 -0.38 0.00 3.03 0.00 0.00 57.50 60.26 3mtn n TRP 64 Cb 0.47 -2.65 -0.03 0.00 -1.03 0.00 0.00 31.31 28.07 3mtn n TRP 64 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 3mtn s SER 65 N -2.71 6.78 -0.18 -0.99 0.01 -1.13 -4.77 113.70 110.70 3mtn s SER 65 Ca 0.00 2.27 -0.08 0.00 1.31 0.00 0.00 55.95 59.45 3mtn s SER 65 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3mtn s SER 65 CO 0.00 -0.49 0.09 -0.89 0.41 0.00 0.00 173.24 172.36 3mtn s THR 66 N -1.39 5.03 0.26 1.44 2.01 -1.26 0.09 115.64 121.81 3mtn s THR 66 Ca 0.54 0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.69 3mtn s THR 66 Cb -0.29 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 3mtn s THR 66 CO 0.37 0.46 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.94 3mtn s LEU 67 N 0.28 3.02 -0.17 4.42 1.02 0.60 -4.78 118.68 123.08 3mtn s LEU 67 Ca 0.05 -0.73 0.01 0.00 0.02 0.00 0.00 54.13 53.48 3mtn s LEU 67 Cb -0.12 -1.56 0.02 0.00 0.02 0.00 0.00 46.19 44.56 3mtn s LEU 67 CO -0.01 0.02 -0.15 -0.36 0.02 0.00 0.00 176.35 175.87 3mtn s PHE 68 N -2.29 2.41 -0.13 0.29 0.08 0.11 -0.31 117.98 118.14 3mtn s PHE 68 Ca 0.30 -1.42 -0.26 0.00 0.12 0.00 0.00 56.93 55.67 3mtn s PHE 68 Cb -0.06 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3mtn s PHE 68 CO 0.18 -0.73 0.87 -1.17 -0.10 0.00 0.00 175.22 174.28 3mtn s LEU 69 N 1.41 4.22 0.16 -0.37 2.96 -0.58 -0.97 118.68 125.50 3mtn s LEU 69 Ca 0.04 1.30 0.05 0.00 -0.22 0.00 0.00 54.13 55.30 3mtn s LEU 69 Cb -0.13 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 3mtn s LEU 69 CO -0.11 -0.37 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.67 3mtn s LEU 70 N 1.90 2.53 0.00 -0.68 1.02 0.25 -4.41 118.68 119.29 3mtn s LEU 70 Ca 0.42 -1.01 0.00 0.00 0.02 0.00 0.00 54.13 53.56 3mtn s LEU 70 Cb -0.17 -0.43 -0.00 0.00 0.02 0.00 0.00 46.19 45.60 3mtn s LEU 70 CO 0.15 -0.28 0.01 0.18 0.02 0.00 0.00 176.35 176.43 3mtn n LEU 71 N -0.21 0.00 -4.75 1.79 4.77 -1.26 0.95 117.00 118.29 3mtn n LEU 71 Ca -0.10 -0.95 -0.30 0.00 -0.03 0.00 0.00 56.01 54.63 3mtn n LEU 71 Cb 0.60 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.77 3mtn n LEU 71 CO 0.33 -0.14 -0.28 -0.13 -1.33 0.00 0.00 177.39 175.84 3mtn s ARG 72 N -2.54 2.79 -0.53 3.23 0.52 -1.26 -4.83 118.95 116.33 3mtn s ARG 72 Ca 0.01 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 54.53 3mtn s ARG 72 Cb 0.00 -2.67 0.17 0.00 0.52 0.00 0.00 34.95 32.96 3mtn s ARG 72 CO 0.01 0.56 0.39 -1.17 0.02 0.00 0.00 175.30 175.11 3mtn s LEU 73 N -2.39 2.93 0.89 2.53 2.96 -1.26 -5.13 118.68 119.21 3mtn s LEU 73 Ca 0.28 -3.34 -0.11 0.00 -0.22 0.00 0.00 54.13 50.75 3mtn s LEU 73 Cb -0.12 -0.99 0.13 0.00 0.50 0.00 0.00 46.19 45.72 3mtn s LEU 73 CO 0.21 -0.15 1.15 -0.13 -1.32 0.00 0.00 176.35 176.12 3mtn s ARG 74 N -0.52 1.18 -0.26 1.98 0.52 -1.26 -5.04 118.95 115.54 3mtn s ARG 74 Ca 0.28 1.56 -0.27 0.00 -0.52 0.00 0.00 55.73 56.78 3mtn s ARG 74 Cb -0.03 -1.74 0.16 0.00 0.52 0.00 0.00 34.95 33.86 3mtn s ARG 74 CO -0.16 -2.52 1.25 0.20 0.02 0.00 0.00 175.30 174.09 3mtn s GLY 75 N -2.64 0.05 0.00 -3.53 0.00 -1.26 -5.35 107.32 94.60 3mtn s GLY 75 Ca 0.67 2.86 0.00 0.00 0.00 0.00 0.00 44.72 48.26 3mtn s GLY 75 CO 0.57 1.51 0.00 0.61 0.00 0.00 0.00 173.10 175.79