#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml s LEU 2 N 0.00 4.38 0.00 4.03 2.96 -1.26 -4.16 118.68 124.63 2rml s LEU 2 Ca 0.00 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 2rml s LEU 2 Cb 0.00 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.12 2rml s LEU 2 CO 0.00 -0.93 0.00 -1.20 -1.32 0.00 0.00 176.35 172.90 2rml n SER 3 N 5.56 0.00 -1.45 3.68 7.64 -1.26 -5.08 113.62 122.71 2rml n SER 3 Ca 0.16 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.02 2rml n SER 3 Cb 0.40 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2rml n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2rml n GLU 4 N 0.00 0.21 -4.14 1.43 2.13 -1.26 -5.13 120.64 113.89 2rml n GLU 4 Ca 0.00 -0.60 -0.15 0.00 0.66 0.00 0.00 57.16 57.06 2rml n GLU 4 Cb 0.00 0.65 -0.14 0.00 0.27 0.00 0.00 31.44 32.22 2rml n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2rml s GLN 5 N -2.11 0.42 0.24 5.31 -0.21 -1.26 -4.14 119.66 117.90 2rml s GLN 5 Ca 0.05 -0.24 0.10 0.00 0.02 0.00 0.00 55.36 55.29 2rml s GLN 5 Cb -0.01 -0.38 -0.05 0.00 1.00 0.00 0.00 33.01 33.58 2rml s GLN 5 CO 0.04 0.10 -0.17 0.15 -2.12 0.00 0.00 175.29 173.29 2rml s LYS 6 N -0.27 1.48 -0.06 2.91 3.01 0.32 -4.95 119.74 122.18 2rml s LYS 6 Ca 0.01 -1.66 -0.01 0.00 -1.01 0.00 0.00 55.97 53.30 2rml s LYS 6 Cb -0.03 -1.43 0.03 0.00 -1.01 0.00 0.00 37.83 35.39 2rml s LYS 6 CO -0.00 0.26 -0.01 -1.83 0.51 0.00 0.00 175.35 174.27 2rml s GLU 7 N -3.54 0.70 0.02 1.68 -1.05 -1.26 -1.51 118.70 113.73 2rml s GLU 7 Ca 0.25 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 2rml s GLU 7 Cb -0.03 -0.95 -0.02 0.00 -0.44 0.00 0.00 34.13 32.70 2rml s GLU 7 CO 0.10 -0.24 -0.02 0.42 0.95 0.00 0.00 175.26 176.47 2rml s ILE 8 N 1.65 0.09 0.32 1.83 1.09 -0.73 -5.00 121.20 120.44 2rml s ILE 8 Ca 0.00 -0.72 0.08 0.00 -1.10 0.00 0.00 60.65 58.90 2rml s ILE 8 Cb -0.13 -0.21 -0.06 0.00 -1.06 0.00 0.00 42.46 41.00 2rml s ILE 8 CO -0.04 -0.40 -0.06 0.00 -0.10 0.00 0.00 174.94 174.34 2rml s ALA 9 N -1.16 2.65 0.26 9.38 0.00 -1.26 -0.25 121.76 131.37 2rml s ALA 9 Ca -0.13 -2.01 -0.21 0.00 0.00 0.00 0.00 51.96 49.61 2rml s ALA 9 Cb -0.08 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2rml s ALA 9 CO -0.01 -0.03 0.69 -1.64 0.00 0.00 0.00 175.76 174.78 2rml s MET 10 N -3.69 1.70 0.32 0.00 -1.94 0.37 -0.36 119.30 115.69 2rml s MET 10 Ca 0.31 -0.92 0.06 0.00 -1.71 0.00 0.00 55.69 53.44 2rml s MET 10 Cb 0.04 0.60 -0.02 0.00 2.01 0.00 0.00 34.83 37.46 2rml s MET 10 CO 0.14 -0.77 0.42 -1.14 -0.01 0.00 0.00 175.02 173.66 2rml s GLN 11 N -3.90 3.11 -0.24 2.03 -0.44 -1.26 -0.60 119.66 118.36 2rml s GLN 11 Ca 0.10 -1.01 -0.26 0.00 -2.50 0.00 0.00 55.36 51.69 2rml s GLN 11 Cb -0.05 -2.77 0.08 0.00 -1.64 0.00 0.00 33.01 28.63 2rml s GLN 11 CO 0.04 0.14 0.78 0.54 0.50 0.00 0.00 175.29 177.29 2rml s VAL 12 N -2.16 0.00 0.15 1.34 0.11 -1.26 -4.63 120.40 113.95 2rml s VAL 12 Ca 0.42 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.56 2rml s VAL 12 Cb -0.09 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2rml s VAL 12 CO 0.30 0.00 -0.16 -0.55 -3.33 0.00 0.00 175.10 171.36 2rml s SER 13 N 0.13 3.95 0.00 3.54 0.15 0.07 -4.74 113.70 116.81 2rml s SER 13 Ca -0.01 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.04 2rml s SER 13 Cb -0.04 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 2rml s SER 13 CO 0.01 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2rml n GLY 14 N 0.49 1.11 0.15 9.45 0.00 -1.26 -1.34 105.19 113.79 2rml n GLY 14 Ca -0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.03 2rml n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2rml n MET 15 N -1.73 0.92 -1.44 1.61 2.00 -1.26 -4.75 117.12 112.48 2rml n MET 15 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 57.70 57.05 2rml n MET 15 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 33.22 31.68 2rml n MET 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2rml n THR 16 N -0.78 4.31 -1.43 2.03 -1.04 -1.26 -3.15 114.28 112.97 2rml n THR 16 Ca 0.17 -2.87 0.00 0.00 -2.04 0.00 0.00 64.05 59.32 2rml n THR 16 Cb 0.25 -2.35 0.00 0.00 -1.82 0.00 0.00 70.33 66.41 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rml n ALA 18 N 0.00 0.00 0.28 0.00 0.00 -1.19 -4.46 120.51 115.14 2rml n ALA 18 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2rml n ALA 18 Cb 0.34 0.00 0.95 0.00 0.00 0.00 0.00 19.45 20.74 2rml n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 19 N 0.00 1.49 0.19 0.00 0.00 -1.98 -1.26 119.26 117.70 2rml h ALA 19 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rml h ALA 19 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rml h ALA 19 CO 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 179.25 179.01 2rml h ALA 21 N 0.47 0.80 -0.73 0.00 0.00 -1.44 -1.80 119.26 116.55 2rml h ALA 21 Ca -0.03 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2rml h ALA 21 Cb 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2rml h ALA 21 CO 0.04 0.29 0.48 0.00 0.00 0.00 0.00 179.25 180.07 2rml h ALA 22 N 1.18 1.83 0.00 0.00 0.00 -1.43 -1.63 119.26 119.22 2rml h ALA 22 Ca 0.22 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2rml h ALA 22 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2rml h ALA 22 CO -0.04 0.02 -0.30 0.00 0.00 0.00 0.00 179.25 178.93 2rml h ARG 23 N 0.64 0.00 0.61 0.00 -0.00 -0.40 -1.51 114.38 113.72 2rml h ARG 23 Ca 0.34 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.79 2rml h ARG 23 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.44 2rml h ARG 23 CO -0.12 0.30 -0.29 0.82 0.00 0.00 0.00 179.97 180.68 2rml h ILE 24 N 0.00 0.34 0.24 2.04 1.08 -0.95 -0.88 117.51 119.37 2rml h ILE 24 Ca -0.00 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 2rml h ILE 24 Cb 0.73 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 2rml h ILE 24 CO 0.04 0.03 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.08 2rml h GLU 25 N -0.96 -0.31 0.00 2.37 5.08 -1.51 -2.01 114.58 117.24 2rml h GLU 25 Ca -0.08 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2rml h GLU 25 Cb 0.67 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2rml h GLU 25 CO 0.14 0.05 -0.28 -0.22 -1.00 0.00 0.00 179.01 177.70 2rml h LYS 26 N -0.73 0.00 0.73 2.33 3.11 -1.42 -1.04 116.57 119.55 2rml h LYS 26 Ca -0.03 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.77 2rml h LYS 26 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2rml h LYS 26 CO 0.05 0.28 -0.37 0.78 -2.81 0.00 0.00 179.45 177.38 2rml h GLY 27 N 1.54 -1.06 2.00 5.01 0.00 -1.14 -3.23 103.07 106.19 2rml h GLY 27 Ca -0.00 0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.69 2rml h GLY 27 CO 0.04 -0.38 -0.20 1.41 0.00 0.00 0.00 176.54 177.41 2rml h LEU 28 N -1.00 0.00 -2.60 3.11 3.38 -1.13 -2.95 115.31 114.12 2rml h LEU 28 Ca -0.10 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2rml h LEU 28 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2rml h LEU 28 CO 0.15 0.20 0.11 0.50 0.09 0.00 0.00 178.44 179.49 2rml h LYS 29 N 0.00 0.00 -4.12 1.13 3.64 -1.21 -2.79 116.57 113.22 2rml h LYS 29 Ca -0.00 0.00 -0.77 0.00 -1.27 0.00 0.00 60.65 58.61 2rml h LYS 29 Cb 0.58 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.16 2rml h LYS 29 CO 0.03 0.00 0.80 1.03 -2.27 0.00 0.00 179.45 179.04 2rml s ARG 30 N -4.25 4.09 0.06 1.90 1.81 -1.11 -4.98 118.95 116.46 2rml s ARG 30 Ca -0.05 -2.85 -0.10 0.00 -1.72 0.00 0.00 55.73 51.01 2rml s ARG 30 Cb 0.12 -4.76 0.01 0.00 -0.45 0.00 0.00 34.95 29.87 2rml s ARG 30 CO 0.41 -1.48 0.23 -1.64 -0.68 0.00 0.00 175.30 172.14 2rml s MET 31 N 0.14 0.78 0.03 3.54 -1.94 -1.06 -5.05 119.30 115.75 2rml s MET 31 Ca 0.35 -0.69 -0.17 0.00 -1.71 0.00 0.00 55.69 53.46 2rml s MET 31 Cb -0.07 0.32 -0.24 0.00 2.01 0.00 0.00 34.83 36.86 2rml s MET 31 CO -0.05 -0.24 1.13 -1.00 -0.01 0.00 0.00 175.02 174.85 2rml h PRO 32 N 3.16 0.54 -0.10 2.03 0.13 -1.91 -3.37 132.00 132.47 2rml h PRO 32 Ca -0.33 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 2rml h PRO 32 Cb 1.20 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2rml h PRO 32 CO 0.50 1.21 0.00 0.41 -0.23 0.00 0.00 178.00 179.88 2rml n GLY 33 N 1.09 0.52 3.69 1.56 0.00 -1.24 -4.97 105.19 105.85 2rml n GLY 33 Ca -0.11 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2rml n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 34 N -1.20 4.82 -0.14 1.61 1.01 -1.26 -0.74 120.40 124.50 2rml s VAL 34 Ca 0.20 1.94 -0.26 0.00 0.00 0.00 0.00 61.98 63.86 2rml s VAL 34 Cb 0.13 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 32.01 2rml s VAL 34 CO 0.19 0.04 0.67 0.74 0.00 0.00 0.00 175.10 176.74 2rml h THR 35 N 5.06 1.58 -1.85 3.92 2.02 -1.20 -3.47 112.91 118.97 2rml h THR 35 Ca -0.32 -2.19 0.06 0.00 0.77 0.00 0.00 66.41 64.72 2rml h THR 35 Cb 1.15 2.99 -0.20 0.00 -1.74 0.00 0.00 68.15 70.35 2rml h THR 35 CO 0.84 0.53 0.46 -0.62 0.37 0.00 0.00 175.52 177.10 2rml s ASP 36 N -6.16 -0.42 0.01 4.18 2.15 -0.67 -5.03 116.67 110.72 2rml s ASP 36 Ca -0.17 0.35 0.08 0.00 0.43 0.00 0.00 52.55 53.23 2rml s ASP 36 Cb -0.02 0.37 -0.03 0.00 -0.30 0.00 0.00 42.92 42.94 2rml s ASP 36 CO 0.61 -0.47 -0.23 0.00 -0.17 0.00 0.00 175.17 174.91 2rml s ALA 37 N -1.69 2.37 -0.02 3.66 0.00 -1.26 -0.48 121.76 124.34 2rml s ALA 37 Ca -0.02 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 2rml s ALA 37 Cb -0.01 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.51 2rml s ALA 37 CO 0.00 0.55 0.02 -0.80 0.00 0.00 0.00 175.76 175.53 2rml s ASN 38 N -1.05 0.05 -0.17 0.00 0.01 0.22 -4.70 114.94 109.29 2rml s ASN 38 Ca 0.12 0.03 0.01 0.00 -0.71 0.00 0.00 52.86 52.31 2rml s ASN 38 Cb -0.10 -0.04 0.02 0.00 0.41 0.00 0.00 41.25 41.53 2rml s ASN 38 CO 0.02 -0.09 -0.18 0.54 -1.51 0.00 0.00 177.10 175.87 2rml s VAL 39 N 0.78 1.90 -1.09 1.60 0.11 -1.26 -0.50 120.40 121.94 2rml s VAL 39 Ca -0.06 -0.84 -0.16 0.00 -2.93 0.00 0.00 61.98 57.99 2rml s VAL 39 Cb -0.09 -1.73 0.15 0.00 -1.53 0.00 0.00 36.38 33.18 2rml s VAL 39 CO -0.02 0.51 1.30 0.21 -3.33 0.00 0.00 175.10 173.77 2rml s ASN 40 N 1.36 6.88 0.43 3.54 2.47 -0.42 -4.90 114.94 124.29 2rml s ASN 40 Ca 0.05 -2.58 0.11 0.00 0.42 0.00 0.00 52.86 50.85 2rml s ASN 40 Cb -0.13 -2.40 0.96 0.00 -1.45 0.00 0.00 41.25 38.23 2rml s ASN 40 CO -0.12 -0.88 2.02 0.25 -3.72 0.00 0.00 177.10 174.65 2rml h LEU 41 N 10.02 0.40 -0.84 3.21 6.46 -1.93 0.15 115.31 132.78 2rml h LEU 41 Ca 0.25 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 2rml h LEU 41 Cb 0.94 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2rml h LEU 41 CO 1.18 0.27 0.00 0.00 -0.62 0.00 0.00 178.44 179.27 2rml n ALA 42 N -2.50 1.79 0.00 1.25 0.00 -1.26 -3.18 120.51 116.61 2rml n ALA 42 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2rml n ALA 42 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2rml n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2rml n THR 43 N 0.13 0.00 0.00 0.00 -1.04 -1.06 -5.08 114.28 107.23 2rml n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2rml n THR 43 Cb 0.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2rml n GLU 44 N -1.68 0.00 -3.39 -2.82 2.13 0.51 -5.11 120.64 110.28 2rml n GLU 44 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2rml n GLU 44 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2rml n GLU 44 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2rml s THR 45 N -2.00 5.23 0.05 6.31 2.01 -1.21 -4.51 115.64 121.52 2rml s THR 45 Ca 0.00 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2rml s THR 45 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2rml s THR 45 CO 0.00 0.34 0.18 -0.55 -0.69 0.00 0.00 174.62 173.91 2rml s SER 46 N 0.60 6.22 -0.01 3.53 0.15 0.23 -1.30 113.70 123.11 2rml s SER 46 Ca 0.22 0.23 -0.02 0.00 0.70 0.00 0.00 55.95 57.09 2rml s SER 46 Cb -0.14 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2rml s SER 46 CO 0.08 0.19 0.05 0.20 1.20 0.00 0.00 173.24 174.95 2rml s ASN 47 N -2.40 0.01 -0.02 5.45 0.01 0.35 -0.48 114.94 117.86 2rml s ASN 47 Ca 0.33 -0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.45 2rml s ASN 47 Cb -0.13 0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.68 2rml s ASN 47 CO 0.25 -0.11 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.02 2rml s VAL 48 N -0.41 0.27 -0.23 1.60 1.01 0.65 -0.61 120.40 122.68 2rml s VAL 48 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 2rml s VAL 48 Cb -0.03 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.07 2rml s VAL 48 CO 0.00 0.14 -0.11 -0.63 0.00 0.00 0.00 175.10 174.50 2rml s ILE 49 N 0.66 2.57 0.03 2.22 1.09 0.37 -1.77 121.20 126.37 2rml s ILE 49 Ca -0.07 -1.05 -0.26 0.00 -1.10 0.00 0.00 60.65 58.17 2rml s ILE 49 Cb -0.10 -2.26 0.06 0.00 -1.06 0.00 0.00 42.46 39.10 2rml s ILE 49 CO -0.01 0.28 0.60 -0.72 -0.10 0.00 0.00 174.94 174.99 2rml s TYR 50 N 1.29 -0.54 0.06 3.97 1.13 -0.57 -0.57 117.35 122.12 2rml s TYR 50 Ca 0.01 0.71 -0.31 0.00 -1.41 0.00 0.00 57.07 56.07 2rml s TYR 50 Cb -0.16 0.41 -0.07 0.00 -1.10 0.00 0.00 41.96 41.04 2rml s TYR 50 CO -0.07 -0.66 1.37 0.34 -2.51 0.00 0.00 175.55 174.02 2rml s ASP 51 N -1.78 6.86 0.00 -0.18 -1.08 0.08 -0.52 116.67 120.05 2rml s ASP 51 Ca -0.07 2.20 0.29 0.00 -0.52 0.00 0.00 52.55 54.45 2rml s ASP 51 Cb -0.01 -2.57 1.53 0.00 -1.46 0.00 0.00 42.92 40.41 2rml s ASP 51 CO 0.01 -0.66 2.02 -0.81 0.52 0.00 0.00 175.17 176.25 2rml n PRO 52 N 4.60 0.52 -0.06 4.34 -0.04 -1.26 -1.87 135.00 141.24 2rml n PRO 52 Ca 0.12 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 2rml n PRO 52 Cb 0.43 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2rml n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rml n ALA 53 N -1.22 2.21 0.28 0.55 0.00 -1.26 -4.55 120.51 116.53 2rml n ALA 53 Ca 0.16 -0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.19 2rml n ALA 53 Cb 0.20 0.34 0.17 0.00 0.00 0.00 0.00 19.45 20.16 2rml n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rml n GLU 54 N -3.42 0.02 -3.72 0.00 4.71 -1.25 -4.40 120.64 112.59 2rml n GLU 54 Ca -0.22 0.34 -0.12 0.00 -0.01 0.00 0.00 57.16 57.15 2rml n GLU 54 Cb 0.66 -1.50 -0.12 0.00 -1.01 0.00 0.00 31.44 29.47 2rml n GLU 54 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2rml s THR 55 N -2.92 -0.03 0.36 2.62 2.01 -0.78 -3.64 115.64 113.25 2rml s THR 55 Ca 0.04 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.02 2rml s THR 55 Cb 0.05 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 2rml s THR 55 CO 0.14 0.05 0.78 -0.83 -0.69 0.00 0.00 174.62 174.07 2rml s GLY 56 N 1.28 2.24 0.28 4.40 0.00 -1.26 -4.23 107.32 110.04 2rml s GLY 56 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.69 2rml s GLY 56 CO -0.10 0.26 1.83 0.00 0.00 0.00 0.00 173.10 175.09 2rml h THR 57 N 1.71 0.89 0.00 0.90 1.03 -1.87 -0.63 112.91 114.94 2rml h THR 57 Ca -0.48 -0.33 -0.06 0.00 -0.01 0.00 0.00 66.41 65.52 2rml h THR 57 Cb 1.18 -0.16 -0.01 0.00 -1.07 0.00 0.00 68.15 68.09 2rml h THR 57 CO 0.64 0.18 -0.31 0.00 -0.01 0.00 0.00 175.52 176.02 2rml h ALA 58 N 1.55 1.06 -0.08 0.00 0.00 -1.95 -2.77 119.26 117.08 2rml h ALA 58 Ca 0.51 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 2rml h ALA 58 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2rml h ALA 58 CO -0.28 0.38 -0.79 0.00 0.00 0.00 0.00 179.25 178.56 2rml h ALA 59 N 1.69 0.46 -0.20 0.00 0.00 -1.51 0.02 119.26 119.73 2rml h ALA 59 Ca -0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 2rml h ALA 59 Cb 0.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2rml h ALA 59 CO 0.04 0.75 -0.46 -0.84 0.00 0.00 0.00 179.25 178.74 2rml h ILE 60 N 0.34 1.31 -0.16 0.00 3.07 -1.45 -0.76 117.51 119.87 2rml h ILE 60 Ca -0.05 -1.65 -0.03 0.00 1.55 0.00 0.00 64.86 64.68 2rml h ILE 60 Cb 1.40 1.65 -0.01 0.00 -0.27 0.00 0.00 36.82 39.60 2rml h ILE 60 CO 0.14 0.51 -0.02 0.06 -1.05 0.00 0.00 178.15 177.80 2rml h GLN 61 N 0.41 0.29 -0.74 0.16 3.07 -1.36 -2.26 115.11 114.67 2rml h GLN 61 Ca 0.03 -0.10 0.07 0.00 0.09 0.00 0.00 58.65 58.74 2rml h GLN 61 Cb 0.96 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 28.43 2rml h GLN 61 CO 0.08 0.54 0.41 0.93 0.09 0.00 0.00 178.83 180.89 2rml h GLU 62 N 0.01 0.71 0.00 0.06 5.08 -0.98 -1.56 114.58 117.90 2rml h GLU 62 Ca 0.04 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2rml h GLU 62 Cb 0.42 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2rml h GLU 62 CO 0.01 0.47 -0.28 -0.22 -1.00 0.00 0.00 179.01 178.00 2rml h LYS 63 N 0.73 0.00 0.23 2.33 3.11 -0.97 -0.15 116.57 121.86 2rml h LYS 63 Ca 0.34 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.17 2rml h LYS 63 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2rml h LYS 63 CO -0.21 0.28 -0.11 0.82 -2.81 0.00 0.00 179.45 177.41 2rml h ILE 64 N 0.00 0.68 -0.62 2.00 2.04 -0.85 -3.32 117.51 117.44 2rml h ILE 64 Ca -0.00 -0.94 0.12 0.00 1.00 0.00 0.00 64.86 65.05 2rml h ILE 64 Cb 0.59 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2rml h ILE 64 CO 0.04 0.16 0.42 -0.33 0.00 0.00 0.00 178.15 178.44 2rml h GLU 65 N -0.89 0.30 0.00 2.37 4.39 -1.13 -0.63 114.58 118.99 2rml h GLU 65 Ca -0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2rml h GLU 65 Cb 0.51 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2rml h GLU 65 CO 0.05 0.20 0.05 1.63 -1.16 0.00 0.00 179.01 179.78 2rml n LYS 66 N -4.45 0.01 0.00 2.33 4.76 -0.08 -1.31 118.16 119.40 2rml n LYS 66 Ca 0.11 0.46 0.10 0.00 -2.87 0.00 0.00 58.31 56.11 2rml n LYS 66 Cb 0.47 -1.57 -0.08 0.00 -1.84 0.00 0.00 35.03 32.01 2rml n LYS 66 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2rml n LEU 67 N -1.48 1.32 0.00 -0.35 7.99 -0.24 -4.99 117.00 119.24 2rml n LEU 67 Ca -0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 56.01 55.41 2rml n LEU 67 Cb 0.05 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2rml n LEU 67 CO 0.00 0.29 0.00 0.61 -1.51 0.00 0.00 177.39 176.78 2rml n GLY 68 N 1.46 0.54 3.46 -0.72 0.00 -0.43 -5.07 105.19 104.44 2rml n GLY 68 Ca 0.06 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2rml n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rml s TYR 69 N -2.00 2.77 -0.04 1.61 2.02 -1.26 -4.97 117.35 115.47 2rml s TYR 69 Ca 0.00 -0.26 0.07 0.00 -0.37 0.00 0.00 57.07 56.50 2rml s TYR 69 Cb 0.00 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2rml s TYR 69 CO 0.00 0.10 -0.25 -1.01 -1.57 0.00 0.00 175.55 172.82 2rml s HIS 70 N -0.44 2.41 -1.73 2.71 3.76 -0.45 -3.48 115.29 118.08 2rml s HIS 70 Ca 0.05 -0.58 0.23 0.00 -0.15 0.00 0.00 55.06 54.61 2rml s HIS 70 Cb -0.12 -1.56 1.30 0.00 1.11 0.00 0.00 32.58 33.31 2rml s HIS 70 CO 0.02 -0.13 1.77 0.28 -0.85 0.00 0.00 174.74 175.84 2rml n VAL 71 N 2.72 0.13 -3.08 -0.90 0.31 -1.26 -0.75 118.33 115.51 2rml n VAL 71 Ca -0.17 0.03 -0.17 0.00 -0.01 0.00 0.00 64.34 64.02 2rml n VAL 71 Cb 0.52 -0.66 0.04 0.00 -0.91 0.00 0.00 33.84 32.83 2rml n VAL 71 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2rml n VAL 72 N -1.13 -1.87 -2.75 2.52 0.31 -1.26 -4.57 118.33 109.57 2rml n VAL 72 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.05 2rml n VAL 72 Cb 0.13 -3.11 -0.03 0.00 -0.91 0.00 0.00 33.84 29.91 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2rml s THR 73 N -3.13 4.62 -0.05 2.52 -4.23 -1.26 -4.27 115.64 109.84 2rml s THR 73 Ca 0.33 1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 62.35 2rml s THR 73 Cb -0.15 -4.32 -0.04 0.00 1.34 0.00 0.00 72.50 69.34 2rml s THR 73 CO 0.41 -0.39 0.09 -0.70 -0.54 0.00 0.00 174.62 173.49 2rml s GLU 74 N 3.39 3.19 0.13 3.99 2.12 -0.07 -4.87 118.70 126.57 2rml s GLU 74 Ca 0.40 -0.36 0.05 0.00 0.36 0.00 0.00 54.97 55.42 2rml s GLU 74 Cb -0.13 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 2rml s GLU 74 CO 0.14 0.69 0.08 -1.59 -0.54 0.00 0.00 175.26 174.05 2rml s LYS 75 N -1.42 2.78 0.21 4.30 -2.85 -1.26 -1.57 119.74 119.94 2rml s LYS 75 Ca 0.20 -0.84 -0.17 0.00 -1.00 0.00 0.00 55.97 54.16 2rml s LYS 75 Cb -0.12 -2.62 0.02 0.00 -2.06 0.00 0.00 37.83 33.05 2rml s LYS 75 CO 0.10 0.51 0.53 0.00 0.10 0.00 0.00 175.35 176.59 2rml s ALA 76 N -1.57 -0.83 -0.03 0.59 0.00 -0.22 -4.99 121.76 114.71 2rml s ALA 76 Ca 0.29 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 51.96 2rml s ALA 76 Cb -0.11 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 2rml s ALA 76 CO 0.22 -0.84 -0.25 -1.21 0.00 0.00 0.00 175.76 173.68 2rml s GLU 77 N -3.91 2.14 0.20 0.00 2.02 -1.26 -0.35 118.70 117.55 2rml s GLU 77 Ca 0.12 -0.89 0.10 0.00 0.02 0.00 0.00 54.97 54.31 2rml s GLU 77 Cb -0.01 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 2rml s GLU 77 CO 0.01 0.50 -0.11 -0.06 0.02 0.00 0.00 175.26 175.61 2rml s PHE 78 N -0.48 2.56 -0.10 1.61 0.40 -0.59 -2.79 117.98 118.59 2rml s PHE 78 Ca 0.06 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 2rml s PHE 78 Cb -0.11 -1.23 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 2rml s PHE 78 CO 0.00 0.54 -0.22 0.34 0.70 0.00 0.00 175.22 176.59 2rml s ASP 79 N -2.99 3.29 -0.83 1.36 2.15 0.12 -0.76 116.67 119.01 2rml s ASP 79 Ca 0.26 -0.51 0.02 0.00 0.43 0.00 0.00 52.55 52.74 2rml s ASP 79 Cb -0.08 -1.43 0.33 0.00 -0.30 0.00 0.00 42.92 41.44 2rml s ASP 79 CO 0.15 0.16 1.45 -0.38 -0.17 0.00 0.00 175.17 176.38 2rml n ILE 80 N 3.50 4.74 -1.56 4.11 2.08 0.21 -1.52 119.36 130.92 2rml n ILE 80 Ca -0.19 -5.78 -0.17 0.00 0.56 0.00 0.00 62.75 57.17 2rml n ILE 80 Cb 0.53 -1.48 -0.07 0.00 -0.75 0.00 0.00 39.64 37.87 2rml n ILE 80 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2rml n GLU 81 N -0.15 0.61 0.00 0.38 -0.58 -1.26 -1.36 120.64 118.28 2rml n GLU 81 Ca 0.40 -0.70 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 2rml n GLU 81 Cb 0.32 -3.56 0.00 0.00 -0.57 0.00 0.00 31.44 27.63 2rml n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rml n GLY 82 N 6.66 1.93 3.82 0.62 0.00 -1.26 -4.25 105.19 112.70 2rml n GLY 82 Ca 0.46 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 2rml n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2rml s MET 83 N 0.00 3.90 0.00 1.61 0.23 -0.46 -5.02 119.30 119.57 2rml s MET 83 Ca 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 55.69 54.88 2rml s MET 83 Cb 0.00 -3.27 0.00 0.00 -1.53 0.00 0.00 34.83 30.03 2rml s MET 83 CO 0.00 0.59 0.37 0.25 -2.03 0.00 0.00 175.02 174.20 2rml n THR 84 N 2.34 0.00 -3.52 3.16 -2.24 -1.26 -4.88 114.28 107.88 2rml n THR 84 Ca -0.15 -0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 61.15 2rml n THR 84 Cb 0.53 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 69.91 2rml n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rml h ALA 86 N 2.02 1.94 0.00 0.00 0.00 -1.93 0.01 119.26 121.30 2rml h ALA 86 Ca -0.19 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2rml h ALA 86 Cb 1.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2rml h ALA 86 CO 0.29 -0.42 -0.22 0.00 0.00 0.00 0.00 179.25 178.90 2rml h ALA 87 N 1.72 1.34 0.14 0.00 0.00 -1.98 -1.15 119.26 119.34 2rml h ALA 87 Ca 0.65 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 55.05 2rml h ALA 87 Cb 1.39 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2rml h ALA 87 CO -0.46 0.27 -1.53 0.00 0.00 0.00 0.00 179.25 177.53 2rml h ALA 89 N 0.43 -0.94 0.00 0.00 0.00 -1.11 -3.07 119.26 114.56 2rml h ALA 89 Ca -0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2rml h ALA 89 Cb 2.03 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 20.29 2rml h ALA 89 CO 0.18 -1.05 -0.09 -0.97 0.00 0.00 0.00 179.25 177.32 2rml h ASN 90 N -0.92 0.00 -0.72 0.00 -0.73 -1.39 -0.67 115.58 111.16 2rml h ASN 90 Ca -0.07 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.12 2rml h ASN 90 Cb 0.75 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.30 2rml h ASN 90 CO 0.07 0.09 0.47 0.03 -0.37 0.00 0.00 177.43 177.72 2rml h ARG 91 N 0.00 0.90 0.12 6.67 3.08 -1.57 -1.94 114.38 121.63 2rml h ARG 91 Ca -0.00 -0.05 -0.29 0.00 0.07 0.00 0.00 59.98 59.70 2rml h ARG 91 Cb 0.17 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2rml h ARG 91 CO 0.01 0.59 -1.43 -0.84 -1.07 0.00 0.00 179.97 177.23 2rml h ILE 92 N 0.92 1.27 -0.50 2.04 3.07 -1.28 -3.40 117.51 119.63 2rml h ILE 92 Ca 0.27 -2.89 0.08 0.00 1.55 0.00 0.00 64.86 63.88 2rml h ILE 92 Cb -0.04 2.82 -0.07 0.00 -0.27 0.00 0.00 36.82 39.26 2rml h ILE 92 CO -0.07 0.84 0.12 -0.08 -1.05 0.00 0.00 178.15 177.91 2rml h GLU 93 N 0.07 0.26 0.00 0.16 4.81 -0.64 0.09 114.58 119.33 2rml h GLU 93 Ca -0.21 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2rml h GLU 93 Cb 2.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.32 2rml h GLU 93 CO 0.17 0.17 0.00 1.17 -0.73 0.00 0.00 179.01 179.80 2rml n LYS 94 N -5.08 0.05 -0.06 1.92 4.81 -0.78 -0.51 118.16 118.51 2rml n LYS 94 Ca 0.06 0.24 -0.06 0.00 -0.87 0.00 0.00 58.31 57.67 2rml n LYS 94 Cb 0.23 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.76 2rml n LYS 94 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2rml n ARG 95 N -1.26 0.35 -0.32 1.64 3.00 -0.51 -4.84 116.66 114.72 2rml n ARG 95 Ca 0.01 0.14 0.18 0.00 -0.01 0.00 0.00 57.85 58.17 2rml n ARG 95 Cb 0.02 -1.11 0.38 0.00 0.00 0.00 0.00 32.46 31.75 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2rml h LEU 96 N -0.66 0.40 -0.97 0.55 -0.00 0.05 -0.27 115.31 114.42 2rml h LEU 96 Ca 0.00 0.17 0.32 0.00 -0.00 0.00 0.00 57.88 58.37 2rml h LEU 96 Cb 0.66 0.14 -0.16 0.00 -0.00 0.00 0.00 40.66 41.30 2rml h LEU 96 CO 0.00 -0.06 0.39 -1.13 -0.00 0.00 0.00 178.44 177.64 2rml h ASN 97 N 0.37 0.17 0.00 -0.43 -0.73 -0.88 -3.34 115.58 110.75 2rml h ASN 97 Ca 0.64 0.23 0.00 0.00 1.87 0.00 0.00 56.30 59.04 2rml h ASN 97 Cb 1.33 0.26 0.00 0.00 0.27 0.00 0.00 38.32 40.19 2rml h ASN 97 CO -0.57 -0.26 -0.01 0.29 -0.37 0.00 0.00 177.43 176.51 2rml n LYS 98 N -5.22 1.88 0.00 6.67 5.02 -1.05 -2.23 118.16 123.23 2rml n LYS 98 Ca 0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2rml n LYS 98 Cb 0.96 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2rml n ILE 99 N -0.36 0.00 -3.65 -0.18 5.41 -0.14 -2.08 119.36 118.37 2rml n ILE 99 Ca 0.00 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.49 2rml n ILE 99 Cb 0.00 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 38.76 2rml n ILE 99 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2rml s GLU 100 N 0.00 0.19 0.00 0.38 2.12 -1.26 -4.81 118.70 115.32 2rml s GLU 100 Ca 0.00 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.22 2rml s GLU 100 Cb 0.00 -1.76 0.00 0.00 0.26 0.00 0.00 34.13 32.63 2rml s GLU 100 CO 0.00 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 2rml n GLY 101 N 5.23 0.40 3.73 -1.50 0.00 0.51 -4.90 105.19 108.65 2rml n GLY 101 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 2rml n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 102 N -2.00 5.16 -0.13 1.61 1.01 -0.88 -1.88 120.40 123.28 2rml s VAL 102 Ca 0.00 1.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.83 2rml s VAL 102 Cb 0.00 -3.84 -0.25 0.00 0.00 0.00 0.00 36.38 32.29 2rml s VAL 102 CO 0.00 0.33 0.45 0.00 0.00 0.00 0.00 175.10 175.89 2rml h ALA 103 N 6.60 0.23 -3.40 5.51 0.00 -0.87 -3.40 119.26 123.93 2rml h ALA 103 Ca -0.42 -1.14 -0.20 0.00 0.00 0.00 0.00 54.91 53.16 2rml h ALA 103 Cb 1.18 0.55 -0.26 0.00 0.00 0.00 0.00 17.79 19.27 2rml h ALA 103 CO 0.75 0.83 -0.63 -0.80 0.00 0.00 0.00 179.25 179.40 2rml s ASN 104 N -6.95 -0.03 -0.46 0.00 0.01 -0.61 -4.47 114.94 102.44 2rml s ASN 104 Ca -0.22 0.03 0.07 0.00 -0.71 0.00 0.00 52.86 52.03 2rml s ASN 104 Cb 0.05 0.15 0.18 0.00 0.41 0.00 0.00 41.25 42.04 2rml s ASN 104 CO 0.72 -0.09 0.68 0.00 -1.51 0.00 0.00 177.10 176.89 2rml s ALA 105 N -0.29 -2.29 -0.11 0.60 0.00 -0.94 -0.46 121.76 118.26 2rml s ALA 105 Ca -0.03 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 2rml s ALA 105 Cb -0.02 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 2rml s ALA 105 CO 0.00 -2.23 1.15 -1.25 0.00 0.00 0.00 175.76 173.43 2rml s PRO 106 N 1.43 4.33 -0.11 0.00 0.04 -1.24 -3.72 135.00 135.73 2rml s PRO 106 Ca 0.22 1.57 -0.21 0.00 0.04 0.00 0.00 61.00 62.62 2rml s PRO 106 Cb -0.02 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2rml s PRO 106 CO -0.06 -0.50 0.62 0.08 0.04 0.00 0.00 177.00 177.18 2rml s VAL 107 N 2.57 5.09 0.19 -0.36 1.01 -1.26 -3.25 120.40 124.39 2rml s VAL 107 Ca 0.52 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 63.45 2rml s VAL 107 Cb -0.21 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 2rml s VAL 107 CO 0.17 0.25 1.08 0.21 0.00 0.00 0.00 175.10 176.82 2rml s ASN 108 N 0.81 7.31 0.06 3.32 3.84 0.30 -4.89 114.94 125.69 2rml s ASN 108 Ca 0.32 2.08 0.23 0.00 0.21 0.00 0.00 52.86 55.69 2rml s ASN 108 Cb -0.17 -2.61 -0.04 0.00 -0.55 0.00 0.00 41.25 37.89 2rml s ASN 108 CO 0.14 -0.18 0.92 2.22 -2.79 0.00 0.00 177.10 177.42 2rml n PHE 109 N 2.24 0.34 0.00 0.43 -1.74 -1.26 -3.81 117.46 113.65 2rml n PHE 109 Ca 0.02 0.10 0.00 0.00 -0.56 0.00 0.00 57.45 57.01 2rml n PHE 109 Cb 0.46 -0.53 0.00 0.00 1.52 0.00 0.00 39.48 40.94 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2rml n ALA 110 N -1.96 1.98 0.46 1.98 0.00 -1.26 -4.16 120.51 117.55 2rml n ALA 110 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 2rml n ALA 110 Cb 0.48 0.36 0.28 0.00 0.00 0.00 0.00 19.45 20.56 2rml n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2rml h LEU 111 N 0.00 0.00 0.53 0.00 -0.00 -2.00 -3.48 115.31 110.36 2rml h LEU 111 Ca 0.00 -0.02 -0.23 0.00 -0.00 0.00 0.00 57.88 57.63 2rml h LEU 111 Cb 0.96 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.53 2rml h LEU 111 CO 0.00 0.01 -0.21 -0.62 -0.00 0.00 0.00 178.44 177.63 2rml n GLU 112 N -2.55 -1.09 -3.00 1.13 1.02 -1.25 -4.96 120.64 109.95 2rml n GLU 112 Ca 0.04 0.85 -0.18 0.00 -0.02 0.00 0.00 57.16 57.86 2rml n GLU 112 Cb 0.47 -4.95 0.03 0.00 -0.02 0.00 0.00 31.44 26.97 2rml n GLU 112 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2rml s THR 113 N -2.25 2.70 -0.02 2.62 -4.23 -1.26 -0.62 115.64 112.57 2rml s THR 113 Ca 0.00 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 2rml s THR 113 Cb 0.00 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 71.13 2rml s THR 113 CO 0.00 0.00 -0.07 0.54 -0.54 0.00 0.00 174.62 174.55 2rml s VAL 114 N -2.48 0.62 -0.35 2.29 0.11 0.06 -0.54 120.40 120.11 2rml s VAL 114 Ca 0.57 -0.27 -0.14 0.00 -2.93 0.00 0.00 61.98 59.22 2rml s VAL 114 Cb -0.09 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2rml s VAL 114 CO 0.35 0.20 0.28 -0.89 -3.33 0.00 0.00 175.10 171.71 2rml s THR 115 N 0.27 5.26 0.03 5.04 2.01 -1.20 -1.55 115.64 125.50 2rml s THR 115 Ca -0.04 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 61.81 2rml s THR 115 Cb -0.08 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2rml s THR 115 CO 0.00 -0.07 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.97 2rml s VAL 116 N 1.79 2.63 -0.06 3.82 1.01 0.53 -3.65 120.40 126.46 2rml s VAL 116 Ca 0.07 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 2rml s VAL 116 Cb -0.17 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.15 2rml s VAL 116 CO 0.11 0.37 -0.00 -0.70 0.00 0.00 0.00 175.10 174.88 2rml s GLU 117 N -1.32 0.52 0.26 2.72 2.12 0.39 -1.05 118.70 122.34 2rml s GLU 117 Ca 0.14 0.09 -0.19 0.00 0.36 0.00 0.00 54.97 55.36 2rml s GLU 117 Cb -0.10 -0.81 0.02 0.00 0.26 0.00 0.00 34.13 33.49 2rml s GLU 117 CO 0.04 -0.24 0.65 1.52 -0.54 0.00 0.00 175.26 176.70 2rml s TYR 118 N 1.64 -0.11 -0.43 5.30 1.13 -0.61 -0.26 117.35 124.01 2rml s TYR 118 Ca -0.00 -0.30 -0.20 0.00 -1.41 0.00 0.00 57.07 55.15 2rml s TYR 118 Cb -0.13 0.58 0.02 0.00 -1.10 0.00 0.00 41.96 41.34 2rml s TYR 118 CO -0.03 -1.14 0.63 0.54 -2.51 0.00 0.00 175.55 173.03 2rml s ASN 119 N -2.92 6.32 -1.12 -0.18 2.20 -0.79 -0.89 114.94 117.57 2rml s ASN 119 Ca 0.12 -0.31 -0.22 0.00 -0.94 0.00 0.00 52.86 51.51 2rml s ASN 119 Cb -0.04 -2.31 -0.01 0.00 -2.00 0.00 0.00 41.25 36.88 2rml s ASN 119 CO 0.05 -0.75 1.80 -2.16 -2.94 0.00 0.00 177.10 173.10 2rml s PRO 120 N 2.77 3.08 0.43 3.55 0.04 -1.26 -4.08 135.00 139.53 2rml s PRO 120 Ca 0.22 -1.16 0.00 0.00 0.04 0.00 0.00 61.00 60.10 2rml s PRO 120 Cb -0.14 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.10 2rml s PRO 120 CO 0.18 -3.08 0.00 1.63 0.04 0.00 0.00 177.00 175.77 2rml n LYS 121 N 8.56 0.00 0.00 4.56 4.76 -1.26 -5.02 118.16 129.76 2rml n LYS 121 Ca 0.43 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.98 2rml n LYS 121 Cb 0.47 0.00 0.14 0.00 -1.84 0.00 0.00 35.03 33.80 2rml n LYS 121 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2rml n GLU 122 N -3.46 0.01 -3.95 1.97 -0.58 -1.26 -4.96 120.64 108.41 2rml n GLU 122 Ca 0.00 -0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.64 2rml n GLU 122 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 2rml n GLU 122 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rml s ALA 123 N -2.99 -0.45 0.37 0.62 0.00 -1.26 -5.13 121.76 112.92 2rml s ALA 123 Ca 0.10 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2rml s ALA 123 Cb 0.17 0.98 -0.06 0.00 0.00 0.00 0.00 23.12 24.21 2rml s ALA 123 CO 0.75 -0.91 0.05 -1.54 0.00 0.00 0.00 175.76 174.11 2rml s SER 124 N -3.02 2.94 0.67 0.00 1.04 -1.26 -4.98 113.70 109.09 2rml s SER 124 Ca 0.20 -1.43 0.34 0.00 0.48 0.00 0.00 55.95 55.54 2rml s SER 124 Cb -0.03 -0.07 1.87 0.00 0.10 0.00 0.00 66.02 67.90 2rml s SER 124 CO 0.10 -0.62 2.05 0.58 0.98 0.00 0.00 173.24 176.34 2rml h VAL 125 N 1.93 0.01 -0.54 5.02 2.07 -2.04 -0.50 116.25 122.20 2rml h VAL 125 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2rml h VAL 125 Cb 1.25 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2rml h VAL 125 CO 0.72 0.00 0.34 0.28 0.02 0.00 0.00 177.57 178.93 2rml h SER 126 N 0.00 0.63 0.38 0.57 0.02 -1.98 0.21 113.55 113.38 2rml h SER 126 Ca 0.00 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.76 2rml h SER 126 Cb 0.47 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2rml h SER 126 CO -0.00 0.47 -0.67 0.44 -1.14 0.00 0.00 176.83 175.93 2rml h ASP 127 N 0.72 0.31 -0.23 3.07 3.32 -1.49 -0.71 116.42 121.41 2rml h ASP 127 Ca 0.19 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2rml h ASP 127 Cb -0.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2rml h ASP 127 CO -0.04 0.89 0.11 -0.07 -1.72 0.00 0.00 179.24 178.41 2rml h LEU 128 N 0.19 0.31 -0.56 1.55 3.38 -1.39 -0.20 115.31 118.59 2rml h LEU 128 Ca -0.02 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.93 2rml h LEU 128 Cb 1.21 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 2rml h LEU 128 CO 0.11 0.36 0.04 0.11 0.09 0.00 0.00 178.44 179.14 2rml h LYS 129 N 0.23 0.15 -0.59 1.13 1.79 -0.71 -0.58 116.57 118.00 2rml h LYS 129 Ca 0.08 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 2rml h LYS 129 Cb 0.14 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2rml h LYS 129 CO -0.01 0.10 -0.03 0.93 -1.08 0.00 0.00 179.45 179.36 2rml h GLU 130 N 0.16 1.07 -0.79 3.15 5.08 -0.78 0.09 114.58 122.55 2rml h GLU 130 Ca 0.29 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2rml h GLU 130 Cb 0.44 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2rml h GLU 130 CO -0.44 1.06 0.47 0.00 -1.00 0.00 0.00 179.01 179.09 2rml h ALA 131 N 0.97 1.33 0.00 3.43 0.00 -0.68 -2.59 119.26 121.72 2rml h ALA 131 Ca 0.16 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2rml h ALA 131 Cb 0.60 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2rml h ALA 131 CO 0.04 0.57 -0.41 0.28 0.00 0.00 0.00 179.25 179.73 2rml h VAL 132 N 1.10 0.75 0.00 0.00 2.07 -0.92 -3.34 116.25 115.90 2rml h VAL 132 Ca 0.28 -1.88 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 2rml h VAL 132 Cb -0.03 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2rml h VAL 132 CO -0.05 0.40 -0.37 -0.78 0.02 0.00 0.00 177.57 176.79 2rml h ASP 133 N 0.00 0.00 -0.72 0.57 1.82 -0.56 -0.91 116.42 116.61 2rml h ASP 133 Ca -0.00 0.00 0.13 0.00 -0.39 0.00 0.00 57.03 56.77 2rml h ASP 133 Cb 1.21 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.17 2rml h ASP 133 CO 0.05 0.37 0.48 0.50 -1.61 0.00 0.00 179.24 179.03 2rml h LYS 134 N 0.00 0.42 -0.01 0.28 3.64 -1.68 -1.30 116.57 117.93 2rml h LYS 134 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2rml h LYS 134 Cb 0.68 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2rml h LYS 134 CO 0.05 0.28 -0.33 1.28 -2.27 0.00 0.00 179.45 178.45 2rml n LEU 135 N -4.48 1.34 0.00 5.20 7.99 -0.41 -4.99 117.00 121.65 2rml n LEU 135 Ca 0.13 -0.42 0.00 0.00 -0.01 0.00 0.00 56.01 55.71 2rml n LEU 135 Cb 0.48 -0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 2rml n LEU 135 CO 0.33 0.25 0.00 0.61 -1.51 0.00 0.00 177.39 177.07 2rml n GLY 136 N 1.37 1.12 0.78 -0.72 0.00 -0.49 -5.04 105.19 102.20 2rml n GLY 136 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 2rml n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rml n TYR 137 N -2.00 -3.55 -4.25 1.61 4.01 -1.21 -4.97 117.16 106.79 2rml n TYR 137 Ca 0.00 -0.31 -0.14 0.00 -0.16 0.00 0.00 57.90 57.29 2rml n TYR 137 Cb 0.00 -0.17 -0.10 0.00 -0.31 0.00 0.00 39.34 38.76 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rml s LYS 138 N -3.17 1.29 -0.22 -0.72 0.00 -1.26 -4.48 119.74 111.17 2rml s LYS 138 Ca 0.14 -1.68 -0.02 0.00 0.00 0.00 0.00 55.97 54.41 2rml s LYS 138 Cb -0.01 0.00 0.01 0.00 0.00 0.00 0.00 37.83 37.84 2rml s LYS 138 CO 0.10 -0.33 -0.09 -0.51 0.00 0.00 0.00 175.35 174.52 2rml s LEU 139 N -3.23 2.82 0.15 2.77 1.43 -1.26 -4.12 118.68 117.24 2rml s LEU 139 Ca 0.37 -0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 2rml s LEU 139 Cb 0.07 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 2rml s LEU 139 CO 0.12 -0.06 0.42 -0.54 0.23 0.00 0.00 176.35 176.52 2rml s LYS 140 N 1.38 3.68 -0.02 1.70 1.02 -0.57 -4.96 119.74 121.96 2rml s LYS 140 Ca 0.03 0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.07 2rml s LYS 140 Cb -0.15 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 2rml s LYS 140 CO -0.06 0.45 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.30 2rml s LEU 141 N -2.57 3.49 -1.25 3.17 1.02 -0.42 -0.70 118.68 121.43 2rml s LEU 141 Ca 0.41 0.02 -0.12 0.00 0.02 0.00 0.00 54.13 54.46 2rml s LEU 141 Cb -0.12 -1.95 0.17 0.00 0.02 0.00 0.00 46.19 44.30 2rml s LEU 141 CO 0.23 0.30 1.66 1.17 0.02 0.00 0.00 176.35 179.73 2rml n LYS 142 N 1.59 3.49 0.00 1.70 3.00 -1.12 -1.60 118.16 125.22 2rml n LYS 142 Ca -0.16 -3.68 0.00 0.00 -0.00 0.00 0.00 58.31 54.47 2rml n LYS 142 Cb 0.53 -2.99 0.00 0.00 0.00 0.00 0.00 35.03 32.57 2rml n LYS 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2rml n GLY 143 N 3.48 3.25 0.04 3.14 0.00 -1.26 -4.94 105.19 108.91 2rml n GLY 143 Ca 0.38 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.52 2rml n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rml n GLU 144 N 0.00 0.18 -3.23 1.61 4.71 -0.98 -4.43 120.64 118.50 2rml n GLU 144 Ca 0.00 0.07 -0.02 0.00 -0.01 0.00 0.00 57.16 57.20 2rml n GLU 144 Cb 0.00 -1.63 -0.03 0.00 -1.01 0.00 0.00 31.44 28.77 2rml n GLU 144 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 2rml s GLN 145 N -3.10 0.49 0.00 3.49 0.74 -0.63 -4.85 119.66 115.81 2rml s GLN 145 Ca 0.09 0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.99 2rml s GLN 145 Cb 0.15 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.29 2rml s GLN 145 CO 0.68 -0.91 0.00 -3.47 -0.55 0.00 0.00 175.29 171.04 2rml n ASP 146 N 5.39 0.00 0.00 6.67 2.03 -1.26 -1.30 116.55 128.09 2rml n ASP 146 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2rml n ASP 146 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 2rml n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04