#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 3.02 0.00 -0.89 0.05 -1.26 -5.11 118.68 114.49 2rml s LEU 2 Ca 0.00 -1.04 0.00 0.00 0.05 0.00 0.00 54.13 53.14 2rml s LEU 2 Cb 0.00 -1.54 0.00 0.00 -2.05 0.00 0.00 46.19 42.60 2rml s LEU 2 CO 0.00 -0.86 0.00 -1.20 -0.55 0.00 0.00 176.35 173.74 2rml n SER 3 N -1.61 0.00 -3.22 1.48 7.64 -1.26 -5.16 113.62 111.50 2rml n SER 3 Ca 0.01 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2rml n SER 3 Cb 0.63 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 2rml n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2rml s GLU 4 N -3.47 0.59 -0.34 1.43 -1.05 -1.26 -5.13 118.70 109.47 2rml s GLU 4 Ca 0.00 0.16 -0.18 0.00 -0.15 0.00 0.00 54.97 54.80 2rml s GLU 4 Cb 0.00 0.01 -0.01 0.00 -0.44 0.00 0.00 34.13 33.70 2rml s GLU 4 CO 0.00 -1.09 0.51 -0.65 0.95 0.00 0.00 175.26 174.98 2rml s GLN 5 N 2.43 3.70 0.02 -4.83 -0.21 -1.26 -4.23 119.66 115.28 2rml s GLN 5 Ca 0.12 -0.08 -0.02 0.00 0.02 0.00 0.00 55.36 55.40 2rml s GLN 5 Cb -0.10 -3.78 -0.04 0.00 1.00 0.00 0.00 33.01 30.09 2rml s GLN 5 CO -0.21 -0.60 0.20 0.15 -2.12 0.00 0.00 175.29 172.71 2rml s LYS 6 N 2.38 3.44 0.51 2.91 3.01 0.30 -4.83 119.74 127.46 2rml s LYS 6 Ca 0.19 -0.37 0.02 0.00 -1.01 0.00 0.00 55.97 54.80 2rml s LYS 6 Cb -0.15 -3.07 0.02 0.00 -1.01 0.00 0.00 37.83 33.62 2rml s LYS 6 CO 0.13 0.64 0.72 -1.83 0.51 0.00 0.00 175.35 175.52 2rml s GLU 7 N -2.19 2.72 -0.08 1.68 1.03 -1.26 -1.55 118.70 119.04 2rml s GLU 7 Ca 0.31 -0.76 -0.24 0.00 0.03 0.00 0.00 54.97 54.31 2rml s GLU 7 Cb -0.13 -2.54 0.05 0.00 -0.80 0.00 0.00 34.13 30.71 2rml s GLU 7 CO 0.23 -0.53 0.55 -1.50 -1.33 0.00 0.00 175.26 172.68 2rml s ILE 8 N -2.65 0.02 0.03 1.83 2.07 -0.11 -4.96 121.20 117.42 2rml s ILE 8 Ca 0.54 -0.13 0.03 0.00 -1.41 0.00 0.00 60.65 59.68 2rml s ILE 8 Cb -0.10 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 2rml s ILE 8 CO 0.37 -0.07 -0.01 0.00 -1.91 0.00 0.00 174.94 173.33 2rml s ALA 9 N -0.84 3.26 0.25 1.50 0.00 -1.26 -0.54 121.76 124.13 2rml s ALA 9 Ca -0.09 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 2rml s ALA 9 Cb -0.02 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.84 2rml s ALA 9 CO 0.06 0.66 0.61 1.41 0.00 0.00 0.00 175.76 178.50 2rml s MET 10 N -1.78 1.61 -0.01 0.00 1.75 0.25 -3.54 119.30 117.59 2rml s MET 10 Ca 0.21 -1.00 0.01 0.00 -1.25 0.00 0.00 55.69 53.66 2rml s MET 10 Cb -0.12 0.56 0.01 0.00 2.84 0.00 0.00 34.83 38.12 2rml s MET 10 CO 0.12 -0.71 -0.01 -1.14 -0.65 0.00 0.00 175.02 172.64 2rml s GLN 11 N -3.92 0.19 -0.02 4.11 0.74 -1.26 -0.22 119.66 119.27 2rml s GLN 11 Ca 0.13 0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.57 2rml s GLN 11 Cb -0.03 -0.28 0.00 0.00 1.10 0.00 0.00 33.01 33.80 2rml s GLN 11 CO 0.04 -0.04 -0.08 0.54 -0.55 0.00 0.00 175.29 175.20 2rml s VAL 12 N 0.45 0.67 -0.09 1.34 0.11 -0.86 -1.42 120.40 120.60 2rml s VAL 12 Ca -0.04 -0.31 -0.04 0.00 -2.93 0.00 0.00 61.98 58.66 2rml s VAL 12 Cb -0.07 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 2rml s VAL 12 CO -0.01 0.21 0.09 -0.55 -3.33 0.00 0.00 175.10 171.52 2rml s SER 13 N 0.19 5.94 0.00 3.54 0.15 0.23 -4.60 113.70 119.15 2rml s SER 13 Ca -0.03 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2rml s SER 13 Cb -0.08 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 2rml s SER 13 CO 0.00 0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2rml n GLY 14 N 1.86 0.70 2.60 9.45 0.00 -1.26 -1.57 105.19 116.96 2rml n GLY 14 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 3.61 -0.08 1.61 2.00 -1.26 -4.71 117.12 118.28 2rml n MET 15 Ca 0.00 -2.87 0.05 0.00 0.00 0.00 0.00 57.70 54.88 2rml n MET 15 Cb 0.00 -2.94 0.18 0.00 0.00 0.00 0.00 33.22 30.46 2rml n MET 15 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2rml n THR 16 N 3.61 0.21 -3.77 2.03 5.66 -1.26 -4.37 114.28 116.39 2rml n THR 16 Ca 0.59 -0.23 -0.12 0.00 -3.05 0.00 0.00 64.05 61.23 2rml n THR 16 Cb 0.31 0.11 -0.08 0.00 -1.55 0.00 0.00 70.33 69.12 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rml h ALA 18 N 3.61 2.36 0.00 0.00 0.00 -2.01 -1.19 119.26 122.03 2rml h ALA 18 Ca -0.31 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2rml h ALA 18 Cb 1.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2rml h ALA 18 CO 0.43 -0.60 -0.23 0.00 0.00 0.00 0.00 179.25 178.85 2rml h ALA 19 N 1.71 1.51 -0.11 0.00 0.00 -1.98 -0.03 119.26 120.37 2rml h ALA 19 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2rml h ALA 19 Cb 0.94 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2rml h ALA 19 CO -0.00 0.29 -0.03 0.00 0.00 0.00 0.00 179.25 179.50 2rml h ALA 21 N 0.68 -0.04 -0.35 0.00 0.00 -1.52 -2.41 119.26 115.62 2rml h ALA 21 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2rml h ALA 21 Cb 0.46 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2rml h ALA 21 CO 0.01 -0.53 -0.24 0.00 0.00 0.00 0.00 179.25 178.48 2rml h ALA 22 N 0.92 -0.05 0.00 0.00 0.00 -1.00 -1.41 119.26 117.73 2rml h ALA 22 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2rml h ALA 22 Cb 0.08 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2rml h ALA 22 CO -0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 179.25 178.55 2rml h ARG 23 N -0.20 0.00 -0.00 0.00 2.47 -1.07 0.65 114.38 116.23 2rml h ARG 23 Ca 0.17 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2rml h ARG 23 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2rml h ARG 23 CO -0.46 0.04 -0.01 0.82 0.56 0.00 0.00 179.97 180.91 2rml h ILE 24 N 0.00 1.52 -0.11 2.04 2.04 -0.77 -1.85 117.51 120.39 2rml h ILE 24 Ca -0.00 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 2rml h ILE 24 Cb 0.18 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2rml h ILE 24 CO 0.00 0.40 0.02 -0.33 0.00 0.00 0.00 178.15 178.25 2rml h GLU 25 N -0.63 0.17 0.00 2.37 5.08 -0.91 0.26 114.58 120.92 2rml h GLU 25 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2rml h GLU 25 Cb 0.66 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2rml h GLU 25 CO 0.00 0.36 0.00 0.87 -1.00 0.00 0.00 179.01 179.25 2rml h LYS 26 N -0.04 0.00 0.00 2.33 1.57 -1.04 -2.71 116.57 116.67 2rml h LYS 26 Ca 0.03 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 2rml h LYS 26 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2rml h LYS 26 CO 0.00 0.00 -0.95 0.78 -0.57 0.00 0.00 179.45 178.71 2rml h GLY 27 N 1.30 0.00 1.01 3.86 0.00 -0.85 -3.40 103.07 104.99 2rml h GLY 27 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2rml h GLY 27 CO 0.00 0.00 0.15 1.41 0.00 0.00 0.00 176.54 178.10 2rml h LEU 28 N -1.00 0.87 -0.70 3.11 3.38 -0.97 -2.76 115.31 117.24 2rml h LEU 28 Ca -0.26 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2rml h LEU 28 Cb 1.19 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2rml h LEU 28 CO -0.16 0.87 0.10 1.17 0.09 0.00 0.00 178.44 180.51 2rml n LYS 29 N -4.39 0.07 0.13 1.13 0.00 -1.03 -1.11 118.16 112.96 2rml n LYS 29 Ca 0.03 0.53 0.12 0.00 0.00 0.00 0.00 58.31 58.99 2rml n LYS 29 Cb 0.23 -1.82 0.25 0.00 0.00 0.00 0.00 35.03 33.69 2rml n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rml h ARG 30 N 0.00 0.00 -6.62 1.64 3.08 -1.70 -3.46 114.38 107.32 2rml h ARG 30 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2rml h ARG 30 Cb 0.19 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.26 2rml h ARG 30 CO 0.00 0.00 0.58 -1.64 -1.07 0.00 0.00 179.97 177.84 2rml s MET 31 N -3.17 4.46 0.51 0.04 -1.94 -0.27 -4.93 119.30 114.00 2rml s MET 31 Ca 0.08 1.88 0.25 0.00 -1.71 0.00 0.00 55.69 56.18 2rml s MET 31 Cb 0.10 -3.26 1.37 0.00 2.01 0.00 0.00 34.83 35.05 2rml s MET 31 CO 0.66 -0.15 2.06 -1.00 -0.01 0.00 0.00 175.02 176.58 2rml h PRO 32 N 5.64 0.00 -0.00 2.03 0.13 -1.90 0.46 132.00 138.36 2rml h PRO 32 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2rml h PRO 32 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2rml h PRO 32 CO 0.77 0.13 -0.35 0.41 -0.23 0.00 0.00 178.00 178.73 2rml n GLY 33 N -0.79 -1.25 3.83 1.56 0.00 -1.26 -4.91 105.19 102.37 2rml n GLY 33 Ca -0.02 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.94 4.85 -0.19 1.61 1.01 0.15 -0.27 120.40 124.62 2rml s VAL 34 Ca 0.14 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 63.02 2rml s VAL 34 Cb 0.18 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 2rml s VAL 34 CO 0.64 0.42 -0.22 1.07 0.00 0.00 0.00 175.10 177.00 2rml n THR 35 N 1.32 1.07 -3.92 3.92 5.66 -0.21 -4.74 114.28 117.38 2rml n THR 35 Ca -0.09 -0.32 -0.10 0.00 -3.05 0.00 0.00 64.05 60.50 2rml n THR 35 Cb 0.51 -1.56 -0.09 0.00 -1.55 0.00 0.00 70.33 67.64 2rml n THR 35 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2rml s ASP 36 N -6.45 0.15 -0.09 1.09 1.11 -0.72 -4.78 116.67 106.99 2rml s ASP 36 Ca -0.27 -0.49 -0.16 0.00 0.18 0.00 0.00 52.55 51.82 2rml s ASP 36 Cb 0.09 0.23 0.04 0.00 1.07 0.00 0.00 42.92 44.34 2rml s ASP 36 CO 0.37 -0.49 0.40 0.00 1.18 0.00 0.00 175.17 176.63 2rml s ALA 37 N -2.45 -1.00 -0.03 5.23 0.00 -1.26 -0.52 121.76 121.74 2rml s ALA 37 Ca -0.06 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 2rml s ALA 37 Cb -0.02 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.83 2rml s ALA 37 CO -0.04 -0.24 0.05 -0.80 0.00 0.00 0.00 175.76 174.74 2rml s ASN 38 N -0.56 0.38 -0.09 0.00 0.01 -0.06 -4.82 114.94 109.80 2rml s ASN 38 Ca -0.07 0.08 0.02 0.00 -0.71 0.00 0.00 52.86 52.18 2rml s ASN 38 Cb -0.04 -0.06 0.02 0.00 0.41 0.00 0.00 41.25 41.58 2rml s ASN 38 CO 0.03 -0.17 -0.12 0.54 -1.51 0.00 0.00 177.10 175.87 2rml s VAL 39 N 1.44 1.25 -0.47 1.60 0.11 -1.26 -0.42 120.40 122.65 2rml s VAL 39 Ca -0.05 -0.50 -0.27 0.00 -2.93 0.00 0.00 61.98 58.23 2rml s VAL 39 Cb -0.13 -1.16 0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2rml s VAL 39 CO -0.03 0.39 1.04 0.21 -3.33 0.00 0.00 175.10 173.38 2rml s ASN 40 N 0.98 6.57 0.44 3.54 2.47 -0.36 -4.95 114.94 123.63 2rml s ASN 40 Ca -0.08 0.31 -0.23 0.00 0.42 0.00 0.00 52.86 53.28 2rml s ASN 40 Cb -0.15 -2.50 -0.10 0.00 -1.45 0.00 0.00 41.25 37.05 2rml s ASN 40 CO -0.00 -1.16 0.96 -0.11 -3.72 0.00 0.00 177.10 173.06 2rml n LEU 41 N 7.53 2.44 0.00 3.21 7.94 -1.26 -1.20 117.00 135.65 2rml n LEU 41 Ca 0.09 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2rml n LEU 41 Cb 0.49 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.11 2rml n LEU 41 CO 0.68 -1.66 0.00 0.00 -1.11 0.00 0.00 177.39 175.30 2rml n ALA 42 N -0.65 0.00 0.09 1.96 0.00 -1.26 -4.45 120.51 116.21 2rml n ALA 42 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 2rml n ALA 42 Cb 0.40 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.92 2rml n ALA 42 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2rml h THR 43 N 0.00 1.46 0.00 0.00 2.02 -1.95 -3.48 112.91 110.96 2rml h THR 43 Ca 0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 2rml h THR 43 Cb 0.00 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2rml h THR 43 CO 0.00 0.68 0.00 -0.62 0.37 0.00 0.00 175.52 175.95 2rml n GLU 44 N -3.75 0.00 -3.10 6.66 1.02 -0.34 -5.02 120.64 116.11 2rml n GLU 44 Ca -0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 2rml n GLU 44 Cb 0.70 -1.13 -0.06 0.00 -0.02 0.00 0.00 31.44 30.93 2rml n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2rml s THR 45 N -2.88 4.94 -0.16 2.62 2.01 -1.24 -2.04 115.64 118.89 2rml s THR 45 Ca 0.00 0.99 -0.07 0.00 0.31 0.00 0.00 61.69 62.92 2rml s THR 45 Cb 0.00 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2rml s THR 45 CO 0.00 -0.09 0.07 -0.55 -0.69 0.00 0.00 174.62 173.36 2rml s SER 46 N 1.57 5.74 -0.19 3.53 0.15 0.69 -1.23 113.70 123.96 2rml s SER 46 Ca 0.26 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 57.07 2rml s SER 46 Cb -0.15 -1.92 0.05 0.00 -1.71 0.00 0.00 66.02 62.29 2rml s SER 46 CO 0.11 0.24 -0.03 0.20 1.20 0.00 0.00 173.24 174.96 2rml s ASN 47 N -0.02 3.16 0.01 5.45 0.01 0.44 -0.58 114.94 123.41 2rml s ASN 47 Ca 0.07 -0.86 0.03 0.00 -0.71 0.00 0.00 52.86 51.38 2rml s ASN 47 Cb -0.12 -0.91 -0.01 0.00 0.41 0.00 0.00 41.25 40.62 2rml s ASN 47 CO 0.01 -0.23 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.57 2rml s VAL 48 N 1.62 0.78 -0.06 1.60 1.01 0.30 -0.88 120.40 124.77 2rml s VAL 48 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2rml s VAL 48 Cb -0.17 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.55 2rml s VAL 48 CO -0.07 0.12 -0.03 -0.63 0.00 0.00 0.00 175.10 174.49 2rml s ILE 49 N -0.43 0.51 0.04 2.22 1.09 0.32 -0.94 121.20 124.01 2rml s ILE 49 Ca 0.02 -0.05 -0.15 0.00 -1.10 0.00 0.00 60.65 59.37 2rml s ILE 49 Cb -0.05 -0.58 0.03 0.00 -1.06 0.00 0.00 42.46 40.79 2rml s ILE 49 CO 0.00 0.25 0.34 -0.72 -0.10 0.00 0.00 174.94 174.70 2rml s TYR 50 N 1.31 -0.16 -0.48 3.97 -0.85 -0.60 -1.05 117.35 119.50 2rml s TYR 50 Ca -0.05 0.06 -0.29 0.00 -0.52 0.00 0.00 57.07 56.28 2rml s TYR 50 Cb -0.14 0.13 0.03 0.00 0.38 0.00 0.00 41.96 42.37 2rml s TYR 50 CO -0.02 -0.52 1.18 -0.51 -1.52 0.00 0.00 175.55 174.16 2rml s ASP 51 N -2.01 6.58 0.00 -0.18 1.01 0.63 -0.54 116.67 122.16 2rml s ASP 51 Ca -0.05 0.49 0.00 0.00 0.71 0.00 0.00 52.55 53.69 2rml s ASP 51 Cb -0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2rml s ASP 51 CO -0.03 -1.30 0.63 -0.81 0.21 0.00 0.00 175.17 173.88 2rml n PRO 52 N 7.93 0.84 0.10 8.23 -0.04 -1.26 -2.97 135.00 147.83 2rml n PRO 52 Ca 0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2rml n PRO 52 Cb 0.49 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2rml n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rml h ALA 53 N 2.27 0.63 0.00 0.55 0.00 -1.92 -3.41 119.26 117.37 2rml h ALA 53 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2rml h ALA 53 Cb 0.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2rml h ALA 53 CO 0.00 0.31 -0.48 -1.91 0.00 0.00 0.00 179.25 177.17 2rml n GLU 54 N -2.85 3.03 -3.44 0.00 2.13 -1.18 -5.00 120.64 113.33 2rml n GLU 54 Ca -0.02 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.64 2rml n GLU 54 Cb 0.64 -0.74 -0.11 0.00 0.27 0.00 0.00 31.44 31.51 2rml n GLU 54 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2rml s THR 55 N -1.00 -0.40 0.55 6.31 2.01 -1.16 -4.63 115.64 117.32 2rml s THR 55 Ca 0.00 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 61.85 2rml s THR 55 Cb 0.00 -0.81 0.07 0.00 0.01 0.00 0.00 72.50 71.77 2rml s THR 55 CO 0.00 -0.28 0.71 -0.83 -0.69 0.00 0.00 174.62 173.53 2rml s GLY 56 N 2.38 1.84 0.22 4.40 0.00 -1.26 -4.07 107.32 110.82 2rml s GLY 56 Ca 0.09 -1.98 -0.08 0.00 0.00 0.00 0.00 44.72 42.75 2rml s GLY 56 CO -0.20 -1.69 1.76 0.00 0.00 0.00 0.00 173.10 172.97 2rml h THR 57 N 0.32 0.81 -0.07 0.90 1.03 -1.95 -1.96 112.91 112.00 2rml h THR 57 Ca -0.32 -0.18 -0.05 0.00 -0.01 0.00 0.00 66.41 65.85 2rml h THR 57 Cb 1.29 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 2rml h THR 57 CO 0.44 0.10 -0.21 0.00 -0.01 0.00 0.00 175.52 175.83 2rml h ALA 58 N 1.43 1.53 0.00 0.00 0.00 -1.97 -1.94 119.26 118.31 2rml h ALA 58 Ca 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2rml h ALA 58 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2rml h ALA 58 CO -0.29 0.34 -0.18 0.00 0.00 0.00 0.00 179.25 179.13 2rml h ALA 59 N 1.69 1.40 -0.12 0.00 0.00 -1.75 -2.28 119.26 118.19 2rml h ALA 59 Ca 0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2rml h ALA 59 Cb 0.43 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2rml h ALA 59 CO 0.03 0.22 -0.16 0.82 0.00 0.00 0.00 179.25 180.16 2rml h ILE 60 N 0.00 1.37 -0.62 0.00 5.03 -1.40 -0.76 117.51 121.12 2rml h ILE 60 Ca -0.00 -1.37 -0.06 0.00 -0.12 0.00 0.00 64.86 63.30 2rml h ILE 60 Cb 0.39 1.98 -0.03 0.00 -3.03 0.00 0.00 36.82 36.13 2rml h ILE 60 CO 0.02 0.40 0.13 0.06 -0.68 0.00 0.00 178.15 178.08 2rml h GLN 61 N -0.07 0.99 -0.48 2.37 3.07 -1.53 -1.52 115.11 117.94 2rml h GLN 61 Ca 0.01 -0.23 -0.13 0.00 0.09 0.00 0.00 58.65 58.40 2rml h GLN 61 Cb 0.72 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 2rml h GLN 61 CO 0.04 0.89 -0.20 1.49 0.09 0.00 0.00 178.83 181.14 2rml h GLU 62 N 0.94 0.98 -0.13 0.06 4.81 -1.42 -1.10 114.58 118.72 2rml h GLU 62 Ca 0.20 -0.41 -0.07 0.00 -0.13 0.00 0.00 59.36 58.94 2rml h GLU 62 Cb 0.36 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2rml h GLU 62 CO 0.00 1.09 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.90 2rml h LYS 63 N 0.83 0.23 -0.09 1.92 1.63 -0.86 -0.49 116.57 119.73 2rml h LYS 63 Ca 0.11 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2rml h LYS 63 Cb 0.77 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.38 2rml h LYS 63 CO 0.06 0.47 -0.01 0.82 -3.45 0.00 0.00 179.45 177.34 2rml h ILE 64 N 0.21 1.27 -0.96 2.00 2.04 -1.13 -3.11 117.51 117.83 2rml h ILE 64 Ca 0.03 -0.88 0.12 0.00 1.00 0.00 0.00 64.86 65.13 2rml h ILE 64 Cb 0.56 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 38.24 2rml h ILE 64 CO 0.04 0.25 0.61 -0.33 0.00 0.00 0.00 178.15 178.72 2rml h GLU 65 N -0.13 0.91 0.00 2.37 4.39 -0.95 -2.39 114.58 118.77 2rml h GLU 65 Ca 0.03 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2rml h GLU 65 Cb 0.39 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2rml h GLU 65 CO 0.01 0.60 0.01 1.63 -1.16 0.00 0.00 179.01 180.10 2rml n LYS 66 N -4.58 0.00 0.14 2.33 4.01 -0.21 -1.04 118.16 118.80 2rml n LYS 66 Ca 0.18 0.46 0.12 0.00 -0.51 0.00 0.00 58.31 58.56 2rml n LYS 66 Cb 0.35 -1.51 0.24 0.00 -0.51 0.00 0.00 35.03 33.60 2rml n LYS 66 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2rml h LEU 67 N 0.00 0.00 0.00 -0.35 -0.00 -1.52 -3.48 115.31 109.96 2rml h LEU 67 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2rml h LEU 67 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2rml h LEU 67 CO 0.00 0.02 0.00 0.61 -0.00 0.00 0.00 178.44 179.07 2rml n GLY 68 N 1.22 1.70 0.00 0.83 0.00 -0.21 -5.13 105.19 103.60 2rml n GLY 68 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2rml n GLY 68 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rml n TYR 69 N -1.55 -2.10 -3.95 1.61 4.01 -1.25 -5.06 117.16 108.88 2rml n TYR 69 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 2rml n TYR 69 Cb 0.09 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.96 2rml n TYR 69 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2rml s HIS 70 N 0.90 2.06 -0.21 -0.72 3.76 -0.61 -4.91 115.29 115.57 2rml s HIS 70 Ca 0.00 -1.32 -0.29 0.00 -0.15 0.00 0.00 55.06 53.29 2rml s HIS 70 Cb 0.00 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 2rml s HIS 70 CO 0.00 -0.68 1.53 0.54 -0.85 0.00 0.00 174.74 175.28 2rml s VAL 71 N 1.52 3.82 -1.27 -0.90 0.11 -1.26 -0.60 120.40 121.81 2rml s VAL 71 Ca 0.00 0.94 -0.14 0.00 -2.93 0.00 0.00 61.98 59.85 2rml s VAL 71 Cb -0.16 -3.79 0.13 0.00 -1.53 0.00 0.00 36.38 31.03 2rml s VAL 71 CO -0.08 -0.29 1.68 1.33 -3.33 0.00 0.00 175.10 174.41 2rml n VAL 72 N 6.18 4.09 -4.42 2.04 0.24 -0.51 -4.90 118.33 121.06 2rml n VAL 72 Ca 0.17 -4.31 -0.25 0.00 -2.04 0.00 0.00 64.34 57.90 2rml n VAL 72 Cb 0.45 -2.43 -0.11 0.00 -1.47 0.00 0.00 33.84 30.29 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2rml s THR 73 N 2.37 2.55 0.03 3.34 -4.23 -1.26 -4.39 115.64 114.05 2rml s THR 73 Ca 0.46 -2.14 -0.05 0.00 -1.18 0.00 0.00 61.69 58.78 2rml s THR 73 Cb 0.03 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 2rml s THR 73 CO 0.02 -0.24 0.08 -0.70 -0.54 0.00 0.00 174.62 173.23 2rml s GLU 74 N -3.08 0.53 0.12 3.99 2.12 -0.47 -4.99 118.70 116.92 2rml s GLU 74 Ca 0.25 -0.68 0.07 0.00 0.36 0.00 0.00 54.97 54.97 2rml s GLU 74 Cb -0.07 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 2rml s GLU 74 CO 0.13 -0.13 -0.16 -1.59 -0.54 0.00 0.00 175.26 172.97 2rml s LYS 75 N -2.26 1.06 0.16 4.30 -2.85 -1.26 -0.95 119.74 117.94 2rml s LYS 75 Ca -0.08 -1.22 -0.07 0.00 -1.00 0.00 0.00 55.97 53.60 2rml s LYS 75 Cb -0.03 -1.07 -0.02 0.00 -2.06 0.00 0.00 37.83 34.65 2rml s LYS 75 CO -0.03 0.22 0.24 0.00 0.10 0.00 0.00 175.35 175.88 2rml s ALA 76 N -1.82 0.19 -0.03 0.59 0.00 -0.46 -5.01 121.76 115.23 2rml s ALA 76 Ca 0.08 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2rml s ALA 76 Cb -0.07 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2rml s ALA 76 CO 0.04 -0.61 -0.01 -1.21 0.00 0.00 0.00 175.76 173.97 2rml s GLU 77 N -3.99 2.82 0.04 0.00 2.02 -1.26 -0.63 118.70 117.70 2rml s GLU 77 Ca 0.19 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.68 2rml s GLU 77 Cb 0.04 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 2rml s GLU 77 CO 0.01 0.65 -0.17 -0.06 0.02 0.00 0.00 175.26 175.71 2rml s PHE 78 N -1.01 1.44 -0.17 1.61 0.40 -0.46 -2.18 117.98 117.62 2rml s PHE 78 Ca 0.17 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.12 2rml s PHE 78 Cb -0.11 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 2rml s PHE 78 CO 0.07 0.06 -0.08 0.34 0.70 0.00 0.00 175.22 176.31 2rml s ASP 79 N -1.14 4.27 -0.57 1.36 2.15 0.19 -1.23 116.67 121.71 2rml s ASP 79 Ca 0.04 -0.31 0.07 0.00 0.43 0.00 0.00 52.55 52.78 2rml s ASP 79 Cb -0.08 -1.69 0.27 0.00 -0.30 0.00 0.00 42.92 41.12 2rml s ASP 79 CO 0.01 0.11 0.74 -0.38 -0.17 0.00 0.00 175.17 175.48 2rml n ILE 80 N 3.94 1.76 -1.84 4.11 2.08 -0.20 -1.52 119.36 127.68 2rml n ILE 80 Ca -0.18 -5.02 -0.42 0.00 0.56 0.00 0.00 62.75 57.69 2rml n ILE 80 Cb 0.52 -1.85 -0.03 0.00 -0.75 0.00 0.00 39.64 37.53 2rml n ILE 80 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2rml s GLU 81 N -2.40 4.16 0.00 0.38 2.12 -1.26 -2.01 118.70 119.69 2rml s GLU 81 Ca 0.41 2.40 0.00 0.00 0.36 0.00 0.00 54.97 58.14 2rml s GLU 81 Cb 0.19 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.57 2rml s GLU 81 CO -0.06 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.19 2rml n GLY 82 N 4.30 2.34 3.69 -1.50 0.00 -1.26 -2.46 105.19 110.30 2rml n GLY 82 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2rml n GLY 82 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2rml s MET 83 N -0.14 4.30 0.00 1.61 -2.45 -0.85 -4.90 119.30 116.86 2rml s MET 83 Ca 0.00 1.89 0.00 0.00 -1.25 0.00 0.00 55.69 56.33 2rml s MET 83 Cb 0.00 -3.58 0.00 0.00 1.25 0.00 0.00 34.83 32.50 2rml s MET 83 CO 0.00 -0.55 0.07 0.25 1.05 0.00 0.00 175.02 175.84 2rml n THR 84 N 4.69 0.00 -3.64 10.11 -2.24 -1.26 -4.85 114.28 117.09 2rml n THR 84 Ca 0.13 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 2rml n THR 84 Cb 0.44 1.15 -0.01 0.00 -2.10 0.00 0.00 70.33 69.81 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 2.00 1.47 -0.18 0.00 0.00 -1.94 -0.67 119.26 119.93 2rml h ALA 86 Ca -0.24 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2rml h ALA 86 Cb 1.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2rml h ALA 86 CO 0.27 0.34 -0.17 0.00 0.00 0.00 0.00 179.25 179.69 2rml h ALA 87 N 1.50 1.38 -0.19 0.00 0.00 -1.97 -0.04 119.26 119.93 2rml h ALA 87 Ca 0.46 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2rml h ALA 87 Cb 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2rml h ALA 87 CO -0.21 0.43 -0.21 0.00 0.00 0.00 0.00 179.25 179.25 2rml h ALA 89 N 0.63 -0.58 -0.89 0.00 0.00 -1.10 -2.75 119.26 114.58 2rml h ALA 89 Ca 0.03 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2rml h ALA 89 Cb 0.76 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2rml h ALA 89 CO 0.05 -0.87 0.57 -0.91 0.00 0.00 0.00 179.25 178.09 2rml h ASN 90 N -0.58 0.67 -0.20 0.00 -0.26 -0.94 0.61 115.58 114.88 2rml h ASN 90 Ca 0.01 0.04 0.03 0.00 -0.56 0.00 0.00 56.30 55.81 2rml h ASN 90 Cb 0.56 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.70 2rml h ASN 90 CO -0.11 0.35 0.02 0.03 -1.06 0.00 0.00 177.43 176.67 2rml h ARG 91 N 0.72 0.09 0.05 0.81 3.08 -0.75 -1.28 114.38 117.10 2rml h ARG 91 Ca 0.44 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 60.25 2rml h ARG 91 Cb 0.67 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 2rml h ARG 91 CO -0.20 0.06 -1.03 -0.84 -1.07 0.00 0.00 179.97 176.90 2rml h ILE 92 N 0.10 1.49 -0.57 2.04 3.07 -1.30 -3.34 117.51 119.01 2rml h ILE 92 Ca 0.09 -2.80 0.09 0.00 1.55 0.00 0.00 64.86 63.79 2rml h ILE 92 Cb 0.10 2.65 -0.07 0.00 -0.27 0.00 0.00 36.82 39.23 2rml h ILE 92 CO -0.14 0.82 0.20 -0.08 -1.05 0.00 0.00 178.15 177.90 2rml h GLU 93 N 0.12 0.36 -0.07 0.16 4.81 -0.71 0.11 114.58 119.35 2rml h GLU 93 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2rml h GLU 93 Cb 1.70 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.00 2rml h GLU 93 CO 0.16 0.24 0.00 1.17 -0.73 0.00 0.00 179.01 179.85 2rml n LYS 94 N -5.02 0.41 0.01 1.92 4.81 -0.50 -0.60 118.16 119.19 2rml n LYS 94 Ca 0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2rml n LYS 94 Cb 0.25 -1.03 -0.00 0.00 0.02 0.00 0.00 35.03 34.27 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 -0.36 0.00 -0.29 1.64 5.12 -0.27 -4.91 116.66 117.59 2rml n ARG 95 Ca 0.00 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.09 2rml n ARG 95 Cb 0.02 -0.50 0.44 0.00 -1.16 0.00 0.00 32.46 31.25 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2rml h LEU 96 N -0.00 0.56 -1.12 0.55 -0.00 -0.24 -0.67 115.31 114.39 2rml h LEU 96 Ca -0.00 0.06 0.29 0.00 -0.00 0.00 0.00 57.88 58.23 2rml h LEU 96 Cb 0.77 -0.04 -0.13 0.00 -0.00 0.00 0.00 40.66 41.27 2rml h LEU 96 CO -0.00 0.21 0.63 -1.13 -0.00 0.00 0.00 178.44 178.15 2rml h ASN 97 N 0.55 0.54 0.00 -0.43 -0.73 -0.99 -3.32 115.58 111.20 2rml h ASN 97 Ca 0.52 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.83 2rml h ASN 97 Cb 1.08 0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.74 2rml h ASN 97 CO -0.26 -0.01 0.00 0.29 -0.37 0.00 0.00 177.43 177.09 2rml n LYS 98 N -4.87 3.52 0.00 6.67 5.02 -1.19 -2.51 118.16 124.80 2rml n LYS 98 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 2rml n LYS 98 Cb 0.91 -0.29 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 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 0.00 0.00 -3.08 -0.18 5.41 -0.26 -0.86 119.36 120.39 2rml n ILE 99 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.57 2rml n ILE 99 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 2rml n ILE 99 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2rml n GLU 100 N 0.00 0.85 0.00 0.38 2.13 -1.26 -4.86 120.64 117.87 2rml n GLU 100 Ca 0.00 -2.93 0.00 0.00 0.66 0.00 0.00 57.16 54.89 2rml n GLU 100 Cb 0.00 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.31 2rml n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rml n GLY 101 N 0.93 -0.41 3.83 8.31 0.00 -1.06 -4.87 105.19 111.93 2rml n GLY 101 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.52 5.34 -0.03 1.61 1.01 -0.04 -2.89 120.40 124.88 2rml s VAL 102 Ca 0.00 0.43 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 2rml s VAL 102 Cb 0.00 -3.53 -0.32 0.00 0.00 0.00 0.00 36.38 32.53 2rml s VAL 102 CO 0.00 0.56 0.87 0.00 0.00 0.00 0.00 175.10 176.52 2rml h ALA 103 N 5.32 -0.06 -1.76 5.51 0.00 -0.94 -3.40 119.26 123.93 2rml h ALA 103 Ca -0.51 -0.83 0.02 0.00 0.00 0.00 0.00 54.91 53.59 2rml h ALA 103 Cb 1.21 0.20 -0.23 0.00 0.00 0.00 0.00 17.79 18.97 2rml h ALA 103 CO 0.63 0.58 0.35 0.54 0.00 0.00 0.00 179.25 181.35 2rml s ASN 104 N -7.20 -0.54 -0.26 0.00 2.20 -0.60 -4.52 114.94 104.02 2rml s ASN 104 Ca -0.13 0.82 -0.02 0.00 -0.94 0.00 0.00 52.86 52.59 2rml s ASN 104 Cb 0.03 0.76 0.14 0.00 -2.00 0.00 0.00 41.25 40.18 2rml s ASN 104 CO 0.86 -0.33 0.39 0.00 -2.94 0.00 0.00 177.10 175.08 2rml s ALA 105 N -0.44 -1.14 -0.18 3.54 0.00 -1.04 -0.83 121.76 121.66 2rml s ALA 105 Ca -0.02 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 2rml s ALA 105 Cb -0.03 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 2rml s ALA 105 CO 0.01 -1.38 0.51 -1.25 0.00 0.00 0.00 175.76 173.65 2rml s PRO 106 N 2.55 4.23 -0.12 0.00 0.04 -1.25 -4.02 135.00 136.43 2rml s PRO 106 Ca 0.12 0.42 -0.13 0.00 0.04 0.00 0.00 61.00 61.45 2rml s PRO 106 Cb -0.15 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 2rml s PRO 106 CO -0.20 -0.07 0.31 0.08 0.04 0.00 0.00 177.00 177.16 2rml s VAL 107 N 1.38 5.27 0.18 -0.36 1.01 -1.26 -3.84 120.40 122.78 2rml s VAL 107 Ca 0.24 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 2rml s VAL 107 Cb -0.15 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 2rml s VAL 107 CO 0.10 0.45 0.98 0.21 0.00 0.00 0.00 175.10 176.84 2rml s ASN 108 N -0.02 7.51 0.00 3.32 3.84 -0.30 -4.87 114.94 124.42 2rml s ASN 108 Ca 0.18 1.92 0.24 0.00 0.21 0.00 0.00 52.86 55.41 2rml s ASN 108 Cb -0.14 -2.60 0.41 0.00 -0.55 0.00 0.00 41.25 38.37 2rml s ASN 108 CO 0.06 -0.01 1.38 2.22 -2.79 0.00 0.00 177.10 177.97 2rml n PHE 109 N 2.15 0.19 0.00 0.43 -1.74 -1.26 -4.02 117.46 113.20 2rml n PHE 109 Ca 0.01 -0.09 0.00 0.00 -0.56 0.00 0.00 57.45 56.80 2rml n PHE 109 Cb 0.48 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.48 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 1.19 1.32 1.59 1.98 0.00 -1.26 -4.19 120.51 121.15 2rml n ALA 110 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.75 2rml n ALA 110 Cb 0.56 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.64 2rml n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rml n LEU 111 N -0.84 0.90 -3.32 0.00 7.99 -1.26 -4.95 117.00 115.52 2rml n LEU 111 Ca 0.00 -0.26 -0.24 0.00 -0.01 0.00 0.00 56.01 55.50 2rml n LEU 111 Cb 0.00 -0.04 0.04 0.00 -0.11 0.00 0.00 43.42 43.31 2rml n LEU 111 CO 0.00 0.15 0.06 -0.62 -1.51 0.00 0.00 177.39 175.48 2rml n GLU 112 N -0.39 -5.45 -4.10 3.23 1.02 -1.26 -4.95 120.64 108.74 2rml n GLU 112 Ca 0.19 0.79 -0.08 0.00 -0.02 0.00 0.00 57.16 58.03 2rml n GLU 112 Cb 0.28 -5.67 -0.10 0.00 -0.02 0.00 0.00 31.44 25.92 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 -3.19 0.17 -0.02 2.62 -4.23 -1.26 -1.04 115.64 108.69 2rml s THR 113 Ca 0.43 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2rml s THR 113 Cb -0.20 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 71.92 2rml s THR 113 CO 0.53 -0.77 0.04 0.54 -0.54 0.00 0.00 174.62 174.43 2rml s VAL 114 N -3.97 -0.02 -0.26 2.29 0.11 -0.36 -1.15 120.40 117.05 2rml s VAL 114 Ca 0.14 0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 59.02 2rml s VAL 114 Cb 0.08 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.83 2rml s VAL 114 CO -0.05 0.02 0.71 -0.89 -3.33 0.00 0.00 175.10 171.56 2rml s THR 115 N 0.31 4.92 -0.21 5.04 2.01 -1.25 -1.36 115.64 125.10 2rml s THR 115 Ca -0.02 1.28 -0.03 0.00 0.31 0.00 0.00 61.69 63.23 2rml s THR 115 Cb -0.04 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.46 2rml s THR 115 CO -0.01 -0.03 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.11 2rml s VAL 116 N 2.66 3.02 -0.21 3.82 1.01 0.20 -3.82 120.40 127.08 2rml s VAL 116 Ca 0.30 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2rml s VAL 116 Cb -0.15 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2rml s VAL 116 CO 0.08 0.45 -0.05 -0.70 0.00 0.00 0.00 175.10 174.88 2rml s GLU 117 N 1.43 3.41 0.25 2.72 2.12 -0.01 -1.35 118.70 127.25 2rml s GLU 117 Ca 0.05 -0.62 -0.10 0.00 0.36 0.00 0.00 54.97 54.67 2rml s GLU 117 Cb -0.14 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 2rml s GLU 117 CO -0.06 -0.13 0.42 1.52 -0.54 0.00 0.00 175.26 176.47 2rml s TYR 118 N 1.31 0.57 -0.37 5.30 1.13 -0.13 -0.32 117.35 124.84 2rml s TYR 118 Ca 0.04 -0.90 -0.14 0.00 -1.41 0.00 0.00 57.07 54.66 2rml s TYR 118 Cb -0.14 0.03 -0.00 0.00 -1.10 0.00 0.00 41.96 40.75 2rml s TYR 118 CO -0.02 -0.95 0.27 -0.80 -2.51 0.00 0.00 175.55 171.54 2rml s ASN 119 N -3.06 6.09 -1.31 -0.18 -0.87 -1.14 -1.36 114.94 113.10 2rml s ASN 119 Ca 0.26 -0.59 -0.11 0.00 -1.57 0.00 0.00 52.86 50.85 2rml s ASN 119 Cb 0.01 -2.15 -0.06 0.00 -0.02 0.00 0.00 41.25 39.03 2rml s ASN 119 CO 0.11 -0.32 2.47 -0.81 -2.57 0.00 0.00 177.10 175.97 2rml n PRO 120 N 5.14 2.84 0.00 -0.60 -0.04 -1.26 -4.10 135.00 136.99 2rml n PRO 120 Ca -0.12 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 2rml n PRO 120 Cb 0.49 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 2rml n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rml n LYS 121 N 4.66 0.00 0.00 0.54 4.76 -1.26 -5.01 118.16 121.85 2rml n LYS 121 Ca 0.61 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 2rml n LYS 121 Cb 0.26 -0.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.92 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 -1.86 -0.12 -4.20 1.97 -0.58 -1.26 -5.10 120.64 109.49 2rml n GLU 122 Ca 0.00 -0.11 -0.15 0.00 -0.42 0.00 0.00 57.16 56.48 2rml n GLU 122 Cb 0.11 -0.59 -0.08 0.00 -0.57 0.00 0.00 31.44 30.31 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 -0.01 1.26 0.05 0.62 0.00 -1.26 -5.10 121.76 117.32 2rml s ALA 123 Ca 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 51.96 50.19 2rml s ALA 123 Cb 0.00 1.36 0.01 0.00 0.00 0.00 0.00 23.12 24.49 2rml s ALA 123 CO 0.00 -0.68 0.09 0.45 0.00 0.00 0.00 175.76 175.63 2rml n SER 124 N -0.98 -0.27 0.24 0.00 2.88 -1.26 -4.94 113.62 109.29 2rml n SER 124 Ca 0.04 -1.22 0.13 0.00 -1.33 0.00 0.00 58.87 56.48 2rml n SER 124 Cb 0.63 0.46 0.76 0.00 -0.75 0.00 0.00 64.21 65.31 2rml n SER 124 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2rml h VAL 125 N 1.13 0.75 -0.41 2.46 2.07 -2.03 -0.18 116.25 120.05 2rml h VAL 125 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2rml h VAL 125 Cb 0.16 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2rml h VAL 125 CO 0.05 0.00 0.24 0.28 0.02 0.00 0.00 177.57 178.17 2rml h SER 126 N 0.00 0.40 0.02 0.57 0.02 -1.99 -1.08 113.55 111.48 2rml h SER 126 Ca 0.03 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 2rml h SER 126 Cb 0.16 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2rml h SER 126 CO -0.00 0.29 -0.52 0.44 -1.14 0.00 0.00 176.83 175.90 2rml h ASP 127 N 0.49 0.61 -0.17 3.07 3.32 -1.45 -0.54 116.42 121.76 2rml h ASP 127 Ca 0.16 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2rml h ASP 127 Cb -0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2rml h ASP 127 CO -0.07 1.02 0.07 -0.07 -1.72 0.00 0.00 179.24 178.47 2rml h LEU 128 N 0.43 0.24 0.08 1.55 3.38 -1.47 -0.42 115.31 119.10 2rml h LEU 128 Ca 0.01 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2rml h LEU 128 Cb 1.05 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2rml h LEU 128 CO 0.10 0.33 -0.42 0.11 0.09 0.00 0.00 178.44 178.64 2rml h LYS 129 N 0.13 -0.60 -0.01 1.13 1.79 -1.01 -2.48 116.57 115.52 2rml h LYS 129 Ca 0.06 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2rml h LYS 129 Cb 0.16 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2rml h LYS 129 CO -0.01 -0.40 -0.09 0.93 -1.08 0.00 0.00 179.45 178.80 2rml h GLU 130 N -0.63 0.02 -0.10 3.15 5.08 -0.96 0.11 114.58 121.24 2rml h GLU 130 Ca 0.03 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2rml h GLU 130 Cb 0.67 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2rml h GLU 130 CO -0.27 0.11 -0.40 0.00 -1.00 0.00 0.00 179.01 177.45 2rml h ALA 131 N 1.89 1.13 0.09 3.43 0.00 -0.83 -2.97 119.26 122.00 2rml h ALA 131 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 54.91 54.19 2rml h ALA 131 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2rml h ALA 131 CO 0.01 0.58 -1.68 0.28 0.00 0.00 0.00 179.25 178.44 2rml h VAL 132 N 0.19 0.95 -0.73 0.00 2.07 -0.81 -3.35 116.25 114.57 2rml h VAL 132 Ca 0.02 -2.67 0.09 0.00 0.82 0.00 0.00 66.70 64.96 2rml h VAL 132 Cb 0.80 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 33.13 2rml h VAL 132 CO 0.06 0.76 0.48 -0.78 0.02 0.00 0.00 177.57 178.11 2rml h ASP 133 N 0.05 0.58 -0.44 0.57 3.58 -0.89 -0.78 116.42 119.08 2rml h ASP 133 Ca -0.30 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.18 2rml h ASP 133 Cb 2.01 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.93 2rml h ASP 133 CO 0.12 0.35 0.29 0.50 -2.88 0.00 0.00 179.24 177.63 2rml h LYS 134 N 0.65 0.54 0.00 0.28 1.63 -1.65 -2.00 116.57 116.03 2rml h LYS 134 Ca 0.33 -0.03 -0.18 0.00 -0.85 0.00 0.00 60.65 59.92 2rml h LYS 134 Cb 0.44 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 2rml h LYS 134 CO -0.12 0.36 -1.23 -0.07 -3.45 0.00 0.00 179.45 174.94 2rml h LEU 135 N 0.56 0.00 0.00 5.20 -0.00 -1.50 -3.49 115.31 116.08 2rml h LEU 135 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 2rml h LEU 135 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2rml h LEU 135 CO -0.04 0.69 0.00 0.61 -0.00 0.00 0.00 178.44 179.70 2rml n GLY 136 N 1.38 0.92 0.00 0.83 0.00 -0.38 -5.12 105.19 102.82 2rml n GLY 136 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.30 0.00 -4.18 1.61 4.01 -1.18 -4.96 117.16 111.16 2rml n TYR 137 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 2rml n TYR 137 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 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 0.85 1.21 -0.10 -0.72 0.00 -1.03 -4.51 119.74 115.44 2rml s LYS 138 Ca 0.00 -1.59 0.04 0.00 0.00 0.00 0.00 55.97 54.42 2rml s LYS 138 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 37.83 38.12 2rml s LYS 138 CO 0.00 -0.40 -0.24 -0.51 0.00 0.00 0.00 175.35 174.20 2rml s LEU 139 N -3.14 2.08 0.14 2.77 1.43 -1.26 -4.01 118.68 116.69 2rml s LEU 139 Ca 0.37 -0.56 0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2rml s LEU 139 Cb 0.06 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2rml s LEU 139 CO 0.11 0.16 -0.25 -0.54 0.23 0.00 0.00 176.35 176.06 2rml s LYS 140 N 0.35 1.38 -0.12 1.70 -0.14 -0.58 -4.97 119.74 117.36 2rml s LYS 140 Ca -0.19 -1.37 -0.05 0.00 -1.36 0.00 0.00 55.97 53.00 2rml s LYS 140 Cb -0.18 -1.78 -0.04 0.00 -1.68 0.00 0.00 37.83 34.15 2rml s LYS 140 CO 0.09 0.41 0.06 -0.51 -0.76 0.00 0.00 175.35 174.64 2rml s LEU 141 N -2.22 3.88 -0.70 3.17 1.02 -0.12 -0.64 118.68 123.06 2rml s LEU 141 Ca 0.15 0.22 -0.27 0.00 0.02 0.00 0.00 54.13 54.25 2rml s LEU 141 Cb -0.09 -1.93 0.03 0.00 0.02 0.00 0.00 46.19 44.22 2rml s LEU 141 CO 0.07 0.33 1.24 -0.75 0.02 0.00 0.00 176.35 177.26 2rml s LYS 142 N -0.59 3.25 0.00 1.70 2.47 -0.92 -0.98 119.74 124.66 2rml s LYS 142 Ca 0.11 -0.19 0.00 0.00 -1.56 0.00 0.00 55.97 54.33 2rml s LYS 142 Cb -0.12 -4.15 0.00 0.00 -1.46 0.00 0.00 37.83 32.10 2rml s LYS 142 CO 0.02 -2.03 0.00 0.41 0.16 0.00 0.00 175.35 173.91 2rml n GLY 143 N 5.31 1.49 0.04 5.54 0.00 -1.26 -4.80 105.19 111.50 2rml n GLY 143 Ca 0.04 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2rml n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rml n GLU 144 N 0.00 0.45 -3.12 1.61 2.13 -0.94 -4.35 120.64 116.41 2rml n GLU 144 Ca 0.00 -0.07 0.03 0.00 0.66 0.00 0.00 57.16 57.78 2rml n GLU 144 Cb 0.00 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.21 2rml n GLU 144 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2rml s GLN 145 N -2.60 0.49 0.00 5.31 0.74 -0.15 -4.83 119.66 118.62 2rml s GLN 145 Ca 0.27 0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.89 2rml s GLN 145 Cb 0.20 0.15 0.00 0.00 1.10 0.00 0.00 33.01 34.46 2rml s GLN 145 CO 0.48 -0.83 0.00 -3.47 -0.55 0.00 0.00 175.29 170.92 2rml n ASP 146 N 4.94 0.00 0.00 6.67 -0.08 -1.25 -0.95 116.55 125.88 2rml n ASP 146 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2rml n ASP 146 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 2rml n ASP 146 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08