#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 3.18 0.00 4.03 1.43 -1.26 -5.11 118.68 120.95 2rml s LEU 2 Ca 0.00 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2rml s LEU 2 Cb 0.00 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2rml s LEU 2 CO 0.00 -1.23 0.00 -1.54 0.23 0.00 0.00 176.35 173.81 2rml n SER 3 N -2.48 0.00 -2.89 2.29 3.41 -1.26 -5.06 113.62 107.63 2rml n SER 3 Ca 0.07 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.71 2rml n SER 3 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2rml n SER 3 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2rml s GLU 4 N 0.00 0.17 -0.06 4.33 -1.05 -1.26 -5.09 118.70 115.73 2rml s GLU 4 Ca 0.00 -0.00 -0.30 0.00 -0.15 0.00 0.00 54.97 54.52 2rml s GLU 4 Cb 0.00 0.03 -0.05 0.00 -0.44 0.00 0.00 34.13 33.68 2rml s GLU 4 CO 0.00 -0.26 1.47 -0.65 0.95 0.00 0.00 175.26 176.77 2rml s GLN 5 N 2.27 4.23 0.16 -4.83 -0.21 -1.26 -4.20 119.66 115.82 2rml s GLN 5 Ca 0.19 1.98 0.02 0.00 0.02 0.00 0.00 55.36 57.57 2rml s GLN 5 Cb 0.02 -3.78 -0.05 0.00 1.00 0.00 0.00 33.01 30.20 2rml s GLN 5 CO -0.17 -0.72 -0.03 0.15 -2.12 0.00 0.00 175.29 172.40 2rml s LYS 6 N 3.32 1.07 0.44 2.91 1.02 0.07 -4.87 119.74 123.70 2rml s LYS 6 Ca 0.65 -1.50 0.02 0.00 0.02 0.00 0.00 55.97 55.17 2rml s LYS 6 Cb -0.30 -0.36 0.00 0.00 -0.52 0.00 0.00 37.83 36.66 2rml s LYS 6 CO 0.25 -0.07 0.64 -1.83 -0.92 0.00 0.00 175.35 173.42 2rml s GLU 7 N -3.86 2.97 -0.09 1.68 1.03 -1.26 -1.49 118.70 117.68 2rml s GLU 7 Ca 0.21 -0.70 -0.19 0.00 0.03 0.00 0.00 54.97 54.32 2rml s GLU 7 Cb 0.05 -2.62 0.04 0.00 -0.80 0.00 0.00 34.13 30.81 2rml s GLU 7 CO 0.02 -0.28 0.46 -1.50 -1.33 0.00 0.00 175.26 172.63 2rml s ILE 8 N -2.50 0.02 -0.04 1.83 1.10 0.18 -4.95 121.20 116.84 2rml s ILE 8 Ca 0.50 -0.18 0.03 0.00 -0.51 0.00 0.00 60.65 60.48 2rml s ILE 8 Cb -0.10 -0.72 -0.03 0.00 0.15 0.00 0.00 42.46 41.76 2rml s ILE 8 CO 0.36 -0.10 -0.11 0.00 -2.11 0.00 0.00 174.94 172.98 2rml s ALA 9 N -0.67 2.83 0.16 1.50 0.00 -1.26 -0.75 121.76 123.56 2rml s ALA 9 Ca -0.08 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2rml s ALA 9 Cb -0.03 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.04 2rml s ALA 9 CO 0.04 0.57 0.42 -1.64 0.00 0.00 0.00 175.76 175.16 2rml s MET 10 N -0.95 1.20 0.09 0.00 -1.94 0.16 -2.71 119.30 115.16 2rml s MET 10 Ca 0.13 -0.85 -0.04 0.00 -1.71 0.00 0.00 55.69 53.22 2rml s MET 10 Cb -0.11 0.47 -0.02 0.00 2.01 0.00 0.00 34.83 37.18 2rml s MET 10 CO 0.03 -0.48 0.10 -0.65 -0.01 0.00 0.00 175.02 174.00 2rml s GLN 11 N -3.86 0.82 -0.19 2.03 -1.52 -1.26 -0.86 119.66 114.81 2rml s GLN 11 Ca 0.08 -1.18 -0.28 0.00 -1.95 0.00 0.00 55.36 52.03 2rml s GLN 11 Cb 0.01 0.28 0.10 0.00 -0.22 0.00 0.00 33.01 33.18 2rml s GLN 11 CO -0.06 -0.23 0.90 0.54 -0.25 0.00 0.00 175.29 176.18 2rml s VAL 12 N -3.93 0.00 -0.11 1.09 0.11 -1.26 -4.13 120.40 112.16 2rml s VAL 12 Ca 0.11 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.90 2rml s VAL 12 Cb 0.06 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2rml s VAL 12 CO -0.07 0.00 0.83 -0.44 -3.33 0.00 0.00 175.10 172.10 2rml s SER 13 N -0.47 7.05 0.00 3.54 0.01 0.55 -4.47 113.70 119.91 2rml s SER 13 Ca -0.02 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2rml s SER 13 Cb -0.02 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2rml s SER 13 CO 0.01 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2rml n GLY 14 N 3.25 1.45 2.26 3.44 0.00 -1.26 -1.35 105.19 112.98 2rml n GLY 14 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.07 2.57 -0.28 1.61 2.00 -1.26 -4.63 117.12 116.07 2rml n MET 15 Ca 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 57.70 56.26 2rml n MET 15 Cb 0.00 -2.37 0.18 0.00 0.00 0.00 0.00 33.22 31.04 2rml n MET 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2rml n THR 16 N 3.26 0.79 -3.58 2.03 -2.24 -1.26 -4.86 114.28 108.41 2rml n THR 16 Ca 0.55 -0.58 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 2rml n THR 16 Cb 0.45 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rml h ALA 18 N 3.87 1.73 0.00 0.00 0.00 -2.00 -0.33 119.26 122.53 2rml h ALA 18 Ca -0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 2rml h ALA 18 Cb 1.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2rml h ALA 18 CO 0.22 -0.47 -0.19 0.00 0.00 0.00 0.00 179.25 178.81 2rml h ALA 19 N 1.46 1.20 -0.03 0.00 0.00 -1.98 -2.14 119.26 117.77 2rml h ALA 19 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2rml h ALA 19 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2rml h ALA 19 CO -0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2rml h ALA 21 N 0.71 -0.49 -0.64 0.00 0.00 -1.63 -0.21 119.26 117.00 2rml h ALA 21 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 2rml h ALA 21 Cb 0.31 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 2rml h ALA 21 CO 0.00 -0.86 0.26 0.00 0.00 0.00 0.00 179.25 178.65 2rml h ALA 22 N 0.25 0.84 -0.50 0.00 0.00 -1.31 -0.33 119.26 118.21 2rml h ALA 22 Ca 0.08 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2rml h ALA 22 Cb 0.59 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2rml h ALA 22 CO -0.36 -0.16 0.15 0.00 0.00 0.00 0.00 179.25 178.88 2rml h ARG 23 N 0.45 0.78 0.04 0.00 2.47 -0.85 -1.74 114.38 115.52 2rml h ARG 23 Ca 0.32 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2rml h ARG 23 Cb 0.39 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2rml h ARG 23 CO -0.30 0.73 -0.02 0.82 0.56 0.00 0.00 179.97 181.76 2rml h ILE 24 N 0.67 1.18 0.07 2.04 2.04 -0.38 -1.52 117.51 121.62 2rml h ILE 24 Ca 0.16 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 2rml h ILE 24 Cb 0.29 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2rml h ILE 24 CO -0.00 0.18 -0.03 -0.33 0.00 0.00 0.00 178.15 177.96 2rml h GLU 25 N -0.35 -0.09 -0.30 2.37 5.08 -1.11 -1.39 114.58 118.78 2rml h GLU 25 Ca -0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2rml h GLU 25 Cb 0.33 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2rml h GLU 25 CO 0.01 0.08 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.82 2rml h LYS 26 N -0.25 0.48 -0.62 2.33 3.11 -1.40 0.59 116.57 120.81 2rml h LYS 26 Ca -0.01 -0.11 -0.07 0.00 -2.81 0.00 0.00 60.65 57.65 2rml h LYS 26 Cb 0.21 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.35 2rml h LYS 26 CO 0.02 0.54 0.12 0.78 -2.81 0.00 0.00 179.45 178.10 2rml h GLY 27 N 0.84 1.08 0.56 5.01 0.00 -1.09 -3.26 103.07 106.21 2rml h GLY 27 Ca 0.09 -0.68 -0.29 0.00 0.00 0.00 0.00 47.33 46.46 2rml h GLY 27 CO 0.02 0.63 -1.48 1.41 0.00 0.00 0.00 176.54 177.12 2rml h LEU 28 N 0.95 0.38 -2.03 3.11 3.38 -0.91 -3.36 115.31 116.82 2rml h LEU 28 Ca 0.20 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2rml h LEU 28 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2rml h LEU 28 CO 0.01 1.64 0.30 0.50 0.09 0.00 0.00 178.44 180.98 2rml h LYS 29 N -0.28 0.00 0.00 1.13 3.64 -1.00 -0.69 116.57 119.38 2rml h LYS 29 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2rml h LYS 29 Cb 1.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 2rml h LYS 29 CO 0.06 0.00 -0.14 0.07 -2.27 0.00 0.00 179.45 177.17 2rml h ARG 30 N 0.00 0.00 -6.56 1.90 -0.00 -1.71 -3.47 114.38 104.54 2rml h ARG 30 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 59.45 2rml h ARG 30 Cb 0.60 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.59 2rml h ARG 30 CO 0.00 0.00 0.59 -1.64 -0.00 0.00 0.00 179.97 178.92 2rml s MET 31 N -3.15 4.43 0.58 0.08 1.00 -0.27 -4.92 119.30 117.05 2rml s MET 31 Ca 0.09 1.88 0.30 0.00 0.00 0.00 0.00 55.69 57.95 2rml s MET 31 Cb 0.10 -3.28 1.77 0.00 0.00 0.00 0.00 34.83 33.42 2rml s MET 31 CO 0.64 -0.23 2.22 -1.00 0.00 0.00 0.00 175.02 176.65 2rml h PRO 32 N 6.22 0.00 -0.01 2.03 0.13 -1.90 -0.31 132.00 138.15 2rml h PRO 32 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.80 0.03 -0.13 0.41 -0.23 0.00 0.00 178.00 178.88 2rml n GLY 33 N -1.13 -0.50 3.53 1.56 0.00 -1.26 -4.89 105.19 102.51 2rml n GLY 33 Ca -0.03 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.30 4.45 -0.17 1.61 1.01 -0.13 -0.44 120.40 124.43 2rml s VAL 34 Ca 0.31 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 2rml s VAL 34 Cb 0.20 -3.03 -0.23 0.00 0.00 0.00 0.00 36.38 33.33 2rml s VAL 34 CO 0.44 0.41 0.40 0.00 0.00 0.00 0.00 175.10 176.36 2rml h THR 35 N 5.20 1.09 -3.36 3.92 1.03 -1.33 -3.44 112.91 116.02 2rml h THR 35 Ca -0.36 -2.27 -0.16 0.00 -0.01 0.00 0.00 66.41 63.61 2rml h THR 35 Cb 1.18 2.57 -0.24 0.00 -1.07 0.00 0.00 68.15 70.59 2rml h THR 35 CO 0.64 0.49 -0.48 -1.81 -0.01 0.00 0.00 175.52 174.34 2rml s ASP 36 N -6.79 -0.11 -0.02 0.00 1.01 -0.71 -4.96 116.67 105.09 2rml s ASP 36 Ca -0.25 0.13 -0.00 0.00 0.71 0.00 0.00 52.55 53.14 2rml s ASP 36 Cb 0.04 0.31 0.03 0.00 1.01 0.00 0.00 42.92 44.31 2rml s ASP 36 CO 0.66 -0.21 0.04 0.00 0.21 0.00 0.00 175.17 175.87 2rml s ALA 37 N -0.58 0.10 -0.03 5.23 0.00 -1.26 -0.57 121.76 124.64 2rml s ALA 37 Ca -0.07 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 2rml s ALA 37 Cb -0.04 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2rml s ALA 37 CO 0.01 -0.17 0.04 -0.80 0.00 0.00 0.00 175.76 174.84 2rml s ASN 38 N 1.26 0.75 -0.18 0.00 0.01 -0.30 -4.84 114.94 111.64 2rml s ASN 38 Ca -0.07 0.05 -0.14 0.00 -0.71 0.00 0.00 52.86 51.98 2rml s ASN 38 Cb -0.13 -0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.34 2rml s ASN 38 CO -0.03 -0.19 0.32 0.54 -1.51 0.00 0.00 177.10 176.23 2rml s VAL 39 N 1.69 5.27 -1.17 1.60 0.11 -1.26 -1.31 120.40 125.33 2rml s VAL 39 Ca -0.01 0.59 -0.10 0.00 -2.93 0.00 0.00 61.98 59.52 2rml s VAL 39 Cb -0.12 -3.66 0.23 0.00 -1.53 0.00 0.00 36.38 31.29 2rml s VAL 39 CO -0.03 0.34 1.36 -3.20 -3.33 0.00 0.00 175.10 170.23 2rml n ASN 40 N 3.94 5.45 0.20 3.54 2.85 -0.14 -4.90 115.26 126.20 2rml n ASN 40 Ca -0.11 -3.06 0.04 0.00 -0.11 0.00 0.00 54.58 51.35 2rml n ASN 40 Cb 0.52 -1.46 0.43 0.00 1.24 0.00 0.00 39.78 40.51 2rml n ASN 40 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2rml h LEU 41 N 7.90 0.00 -2.06 1.20 6.46 -1.93 -1.25 115.31 125.63 2rml h LEU 41 Ca 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2rml h LEU 41 Cb 0.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 2rml h LEU 41 CO 1.20 0.30 0.17 0.00 -0.62 0.00 0.00 178.44 179.49 2rml h ALA 42 N 1.70 1.16 0.00 1.25 0.00 -1.95 0.28 119.26 121.70 2rml h ALA 42 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rml h ALA 42 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2rml h ALA 42 CO 0.04 -0.16 -0.14 -2.37 0.00 0.00 0.00 179.25 176.62 2rml n THR 43 N -2.73 1.45 -1.42 0.00 5.66 -0.53 -5.03 114.28 111.68 2rml n THR 43 Ca -0.02 -1.78 -0.15 0.00 -3.05 0.00 0.00 64.05 59.05 2rml n THR 43 Cb 0.22 -0.06 -0.06 0.00 -1.55 0.00 0.00 70.33 68.88 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2rml n GLU 44 N -1.08 -1.39 -4.98 1.09 2.13 0.09 -4.94 120.64 111.55 2rml n GLU 44 Ca 0.12 0.92 -0.32 0.00 0.66 0.00 0.00 57.16 58.54 2rml n GLU 44 Cb 0.66 -5.20 -0.16 0.00 0.27 0.00 0.00 31.44 27.02 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 -2.27 2.60 -0.10 6.31 2.01 -1.07 -4.77 115.64 118.35 2rml s THR 45 Ca 0.00 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 61.02 2rml s THR 45 Cb 0.00 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 2rml s THR 45 CO 0.00 0.54 0.38 -0.44 -0.69 0.00 0.00 174.62 174.41 2rml s SER 46 N 0.32 6.62 -0.17 3.53 0.01 -0.04 -0.97 113.70 123.00 2rml s SER 46 Ca -0.14 0.73 0.01 0.00 1.31 0.00 0.00 55.95 57.86 2rml s SER 46 Cb -0.17 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.84 2rml s SER 46 CO 0.07 0.15 -0.18 0.20 0.41 0.00 0.00 173.24 173.89 2rml s ASN 47 N 0.01 3.39 -0.00 2.44 0.01 -0.43 -0.66 114.94 119.70 2rml s ASN 47 Ca 0.21 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.85 2rml s ASN 47 Cb -0.15 -1.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 2rml s ASN 47 CO 0.09 0.05 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.90 2rml s VAL 48 N 1.04 1.03 -0.07 1.60 1.01 0.07 -1.15 120.40 123.93 2rml s VAL 48 Ca -0.01 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2rml s VAL 48 Cb -0.14 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2rml s VAL 48 CO -0.05 0.24 -0.06 -0.63 0.00 0.00 0.00 175.10 174.60 2rml s ILE 49 N -0.39 0.76 0.06 2.22 1.09 0.26 -0.65 121.20 124.56 2rml s ILE 49 Ca 0.04 -0.21 -0.08 0.00 -1.10 0.00 0.00 60.65 59.30 2rml s ILE 49 Cb -0.05 -0.77 -0.00 0.00 -1.06 0.00 0.00 42.46 40.57 2rml s ILE 49 CO -0.00 0.29 0.17 -0.72 -0.10 0.00 0.00 174.94 174.58 2rml s TYR 50 N 1.14 0.14 -0.18 3.97 -0.85 -0.55 -0.97 117.35 120.05 2rml s TYR 50 Ca -0.07 -0.48 -0.18 0.00 -0.52 0.00 0.00 57.07 55.82 2rml s TYR 50 Cb -0.14 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 2rml s TYR 50 CO -0.01 -0.47 0.48 0.34 -1.52 0.00 0.00 175.55 174.37 2rml s ASP 51 N -2.48 6.57 -0.00 -0.18 -1.08 0.41 -0.75 116.67 119.15 2rml s ASP 51 Ca 0.00 0.68 0.00 0.00 -0.52 0.00 0.00 52.55 52.71 2rml s ASP 51 Cb 0.02 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 2rml s ASP 51 CO -0.07 -0.11 0.83 -0.81 0.52 0.00 0.00 175.17 175.53 2rml n PRO 52 N 4.43 1.00 0.01 4.34 -0.04 -1.26 -3.40 135.00 140.09 2rml n PRO 52 Ca -0.06 -0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 2rml n PRO 52 Cb 0.51 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.33 2.75 0.30 0.55 0.00 -1.26 -4.74 120.51 118.44 2rml n ALA 53 Ca 0.00 -0.12 0.17 0.00 0.00 0.00 0.00 53.44 53.49 2rml n ALA 53 Cb 0.42 0.33 0.75 0.00 0.00 0.00 0.00 19.45 20.94 2rml n ALA 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rml h GLU 54 N -0.13 0.00 -3.25 0.00 3.07 -1.92 -3.46 114.58 108.90 2rml h GLU 54 Ca -0.04 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 2rml h GLU 54 Cb 0.56 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 2rml h GLU 54 CO -0.02 0.00 0.15 -0.08 -1.40 0.00 0.00 179.01 177.65 2rml s THR 55 N -3.69 0.00 0.17 1.13 -1.32 -1.22 -4.65 115.64 106.06 2rml s THR 55 Ca 0.00 -1.14 -0.14 0.00 -1.21 0.00 0.00 61.69 59.21 2rml s THR 55 Cb 0.10 -2.54 0.01 0.00 -1.51 0.00 0.00 72.50 68.56 2rml s THR 55 CO 0.48 0.00 0.41 -0.83 -2.21 0.00 0.00 174.62 172.47 2rml s GLY 56 N -3.05 0.10 0.22 6.08 0.00 -1.26 -4.29 107.32 105.12 2rml s GLY 56 Ca 0.17 -0.46 -0.11 0.00 0.00 0.00 0.00 44.72 44.32 2rml s GLY 56 CO 0.11 -0.50 1.64 -0.84 0.00 0.00 0.00 173.10 173.51 2rml h THR 57 N 2.37 0.39 0.00 0.90 2.02 -1.96 -2.00 112.91 114.64 2rml h THR 57 Ca -0.31 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2rml h THR 57 Cb 1.25 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2rml h THR 57 CO 0.43 0.01 0.00 0.00 0.37 0.00 0.00 175.52 176.33 2rml n ALA 58 N -2.97 1.11 0.30 6.16 0.00 -1.26 -1.15 120.51 122.70 2rml n ALA 58 Ca 0.09 0.19 0.14 0.00 0.00 0.00 0.00 53.44 53.87 2rml n ALA 58 Cb 0.37 -1.33 0.39 0.00 0.00 0.00 0.00 19.45 18.87 2rml n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 59 N 2.03 1.00 0.00 0.00 0.00 -1.79 -3.36 119.26 117.14 2rml h ALA 59 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 59 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2rml h ALA 59 CO 0.00 0.00 -0.01 0.82 0.00 0.00 0.00 179.25 180.06 2rml h ILE 60 N 0.00 1.65 0.00 0.00 2.04 -1.31 -2.89 117.51 116.99 2rml h ILE 60 Ca 0.00 -1.91 -0.04 0.00 1.00 0.00 0.00 64.86 63.91 2rml h ILE 60 Cb 0.77 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 2rml h ILE 60 CO 0.00 0.50 -0.19 0.06 0.00 0.00 0.00 178.15 178.52 2rml h GLN 61 N -0.80 0.00 -0.57 2.37 -0.00 -1.73 -0.86 115.11 113.51 2rml h GLN 61 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2rml h GLN 61 Cb 0.82 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.27 2rml h GLN 61 CO 0.00 0.19 0.35 1.49 -0.00 0.00 0.00 178.83 180.86 2rml h GLU 62 N 0.00 0.77 -0.62 0.06 4.81 -1.69 -0.32 114.58 117.59 2rml h GLU 62 Ca -0.00 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 2rml h GLU 62 Cb 0.36 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2rml h GLU 62 CO 0.02 0.55 0.00 0.87 -0.73 0.00 0.00 179.01 179.73 2rml h LYS 63 N 0.77 1.08 -0.28 1.92 6.56 -1.03 -0.52 116.57 125.07 2rml h LYS 63 Ca 0.21 -0.34 0.01 0.00 -1.06 0.00 0.00 60.65 59.47 2rml h LYS 63 Cb -0.03 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.51 2rml h LYS 63 CO -0.04 1.05 0.15 0.82 -2.06 0.00 0.00 179.45 179.37 2rml h ILE 64 N 0.99 1.01 -0.67 1.86 2.04 -0.96 0.11 117.51 121.90 2rml h ILE 64 Ca 0.18 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 2rml h ILE 64 Cb 0.56 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2rml h ILE 64 CO 0.03 0.06 0.30 -0.33 0.00 0.00 0.00 178.15 178.21 2rml h GLU 65 N 0.31 0.96 -0.16 2.37 4.39 -0.99 -1.25 114.58 120.21 2rml h GLU 65 Ca 0.11 -0.14 -0.19 0.00 0.34 0.00 0.00 59.36 59.48 2rml h GLU 65 Cb 0.02 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 2rml h GLU 65 CO -0.07 0.75 -0.68 0.87 -1.16 0.00 0.00 179.01 178.73 2rml h LYS 66 N 0.95 0.63 0.00 2.33 1.79 -0.69 -3.14 116.57 118.44 2rml h LYS 66 Ca 0.23 -0.47 -0.07 0.00 -2.18 0.00 0.00 60.65 58.16 2rml h LYS 66 Cb 0.12 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2rml h LYS 66 CO -0.03 1.09 -0.34 -0.07 -1.08 0.00 0.00 179.45 179.02 2rml h LEU 67 N 0.45 0.00 0.00 2.94 -0.00 -0.63 -3.47 115.31 114.60 2rml h LEU 67 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2rml h LEU 67 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 2rml h LEU 67 CO 0.13 0.34 0.00 0.61 -0.00 0.00 0.00 178.44 179.52 2rml n GLY 68 N -0.20 0.99 3.02 0.83 0.00 -0.51 -5.03 105.19 104.29 2rml n GLY 68 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.82 0.76 -0.30 1.61 1.51 -0.94 -5.02 117.35 113.15 2rml s TYR 69 Ca 0.00 -0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 55.75 2rml s TYR 69 Cb 0.00 -0.49 -0.03 0.00 -0.11 0.00 0.00 41.96 41.34 2rml s TYR 69 CO 0.00 -0.01 0.37 -1.58 -1.11 0.00 0.00 175.55 173.22 2rml s HIS 70 N -0.26 3.23 0.14 2.71 2.46 -0.46 -3.54 115.29 119.57 2rml s HIS 70 Ca 0.03 0.24 -0.31 0.00 0.47 0.00 0.00 55.06 55.48 2rml s HIS 70 Cb -0.04 -2.62 -0.10 0.00 -0.13 0.00 0.00 32.58 29.70 2rml s HIS 70 CO -0.00 -0.31 1.65 0.54 -2.47 0.00 0.00 174.74 174.15 2rml s VAL 71 N 2.06 2.61 -0.78 0.89 0.11 -1.26 -0.33 120.40 123.70 2rml s VAL 71 Ca 0.14 0.32 -0.00 0.00 -2.93 0.00 0.00 61.98 59.51 2rml s VAL 71 Cb -0.16 -3.21 0.36 0.00 -1.53 0.00 0.00 36.38 31.84 2rml s VAL 71 CO 0.11 0.01 1.79 0.55 -3.33 0.00 0.00 175.10 174.23 2rml n VAL 72 N 4.27 3.63 -3.76 2.04 3.14 -1.26 -4.84 118.33 121.55 2rml n VAL 72 Ca 0.15 -4.66 -0.36 0.00 -2.96 0.00 0.00 64.34 56.51 2rml n VAL 72 Cb 0.38 -1.29 -0.07 0.00 -1.06 0.00 0.00 33.84 31.81 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2rml s THR 73 N -5.06 5.41 0.01 1.55 -4.23 -1.26 -4.25 115.64 107.80 2rml s THR 73 Ca 0.50 0.29 -0.01 0.00 -1.18 0.00 0.00 61.69 61.29 2rml s THR 73 Cb 0.40 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 2rml s THR 73 CO -0.33 0.52 0.12 -0.70 -0.54 0.00 0.00 174.62 173.69 2rml s GLU 74 N -0.36 3.17 -0.16 3.99 2.12 0.47 -4.87 118.70 123.06 2rml s GLU 74 Ca 0.13 -0.46 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 2rml s GLU 74 Cb -0.12 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.30 2rml s GLU 74 CO 0.03 0.64 0.15 -1.59 -0.54 0.00 0.00 175.26 173.95 2rml s LYS 75 N -1.90 3.83 0.04 4.30 -2.85 -1.26 -1.58 119.74 120.32 2rml s LYS 75 Ca 0.25 -0.15 -0.01 0.00 -1.00 0.00 0.00 55.97 55.06 2rml s LYS 75 Cb -0.12 -3.31 -0.03 0.00 -2.06 0.00 0.00 37.83 32.31 2rml s LYS 75 CO 0.17 0.53 -0.02 0.00 0.10 0.00 0.00 175.35 176.13 2rml s ALA 76 N -0.32 0.36 -0.04 0.59 0.00 -0.44 -5.01 121.76 116.89 2rml s ALA 76 Ca 0.12 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.14 2rml s ALA 76 Cb -0.12 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 2rml s ALA 76 CO 0.01 -0.30 -0.18 -1.21 0.00 0.00 0.00 175.76 174.08 2rml s GLU 77 N -3.09 2.41 0.16 0.00 2.02 -1.26 -0.46 118.70 118.48 2rml s GLU 77 Ca -0.01 -0.77 0.08 0.00 0.02 0.00 0.00 54.97 54.29 2rml s GLU 77 Cb 0.02 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 2rml s GLU 77 CO -0.07 0.59 -0.17 -0.06 0.02 0.00 0.00 175.26 175.57 2rml s PHE 78 N -0.65 1.73 -0.09 1.61 0.40 -0.30 -1.85 117.98 118.81 2rml s PHE 78 Ca 0.10 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 2rml s PHE 78 Cb -0.11 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 2rml s PHE 78 CO 0.00 0.30 -0.05 0.34 0.70 0.00 0.00 175.22 176.51 2rml s ASP 79 N -2.69 4.75 -0.60 1.36 -1.08 -0.04 -0.93 116.67 117.43 2rml s ASP 79 Ca 0.15 -0.03 0.05 0.00 -0.52 0.00 0.00 52.55 52.19 2rml s ASP 79 Cb -0.05 -1.38 0.34 0.00 -1.46 0.00 0.00 42.92 40.37 2rml s ASP 79 CO 0.06 0.31 1.00 -0.38 0.52 0.00 0.00 175.17 176.68 2rml n ILE 80 N 2.58 3.24 -1.51 4.11 -0.00 -0.38 -1.55 119.36 125.84 2rml n ILE 80 Ca -0.18 -5.60 -0.22 0.00 -0.00 0.00 0.00 62.75 56.75 2rml n ILE 80 Cb 0.53 -1.41 -0.20 0.00 -0.00 0.00 0.00 39.64 38.56 2rml n ILE 80 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2rml n GLU 81 N -0.24 0.10 0.00 0.38 1.02 -1.26 -1.92 120.64 118.71 2rml n GLU 81 Ca 0.32 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2rml n GLU 81 Cb 0.39 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2rml n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rml n GLY 82 N 5.76 1.82 2.76 0.62 0.00 -1.26 -4.49 105.19 110.40 2rml n GLY 82 Ca 0.64 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 2rml n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2rml n MET 83 N 0.00 2.83 -0.08 1.61 0.00 -0.81 -4.81 117.12 115.86 2rml n MET 83 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 57.70 55.10 2rml n MET 83 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 33.22 29.93 2rml n MET 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2rml n THR 84 N 5.16 0.78 -3.63 3.17 -2.24 -1.26 -4.69 114.28 111.57 2rml n THR 84 Ca 0.52 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 62.10 2rml n THR 84 Cb 0.39 -0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 67.61 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 5.20 2.07 -0.33 0.00 0.00 -1.84 -1.66 119.26 122.69 2rml h ALA 86 Ca -0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2rml h ALA 86 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2rml h ALA 86 CO 0.08 -0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.15 2rml h ALA 87 N 1.71 1.42 -0.27 0.00 0.00 -1.96 0.09 119.26 120.25 2rml h ALA 87 Ca 0.27 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2rml h ALA 87 Cb 0.59 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2rml h ALA 87 CO -0.07 0.41 -0.34 0.00 0.00 0.00 0.00 179.25 179.25 2rml h ALA 89 N 0.68 -0.04 -0.66 0.00 0.00 -1.24 -1.37 119.26 116.63 2rml h ALA 89 Ca 0.03 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2rml h ALA 89 Cb 0.92 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2rml h ALA 89 CO 0.08 -0.56 0.31 -0.91 0.00 0.00 0.00 179.25 178.17 2rml h ASN 90 N -0.12 0.39 0.01 0.00 -0.26 -0.96 -0.46 115.58 114.19 2rml h ASN 90 Ca 0.05 0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 55.75 2rml h ASN 90 Cb 0.19 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 2rml h ASN 90 CO -0.13 0.23 -0.31 0.03 -1.06 0.00 0.00 177.43 176.19 2rml h ARG 91 N 0.54 0.45 -0.10 0.81 3.08 -0.77 -2.57 114.38 115.81 2rml h ARG 91 Ca 0.32 -0.19 -0.19 0.00 0.07 0.00 0.00 59.98 60.00 2rml h ARG 91 Cb 0.34 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.38 2rml h ARG 91 CO -0.26 0.71 -0.67 -0.84 -1.07 0.00 0.00 179.97 177.84 2rml h ILE 92 N 0.39 1.33 -0.81 2.04 3.07 -0.99 -3.36 117.51 119.18 2rml h ILE 92 Ca 0.05 -1.94 0.12 0.00 1.55 0.00 0.00 64.86 64.64 2rml h ILE 92 Cb 0.74 2.17 -0.08 0.00 -0.27 0.00 0.00 36.82 39.38 2rml h ILE 92 CO 0.06 0.60 0.42 -0.08 -1.05 0.00 0.00 178.15 178.09 2rml h GLU 93 N 0.28 0.62 -0.83 0.16 4.81 -0.86 -0.35 114.58 118.41 2rml h GLU 93 Ca -0.05 -0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.35 2rml h GLU 93 Cb 1.31 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 2rml h GLU 93 CO 0.14 0.41 0.57 -0.22 -0.73 0.00 0.00 179.01 179.18 2rml h LYS 94 N 0.64 0.21 0.00 1.92 3.11 -1.61 -1.02 116.57 119.82 2rml h LYS 94 Ca 0.42 -0.01 -0.38 0.00 -2.81 0.00 0.00 60.65 57.86 2rml h LYS 94 Cb 0.52 -0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 31.64 2rml h LYS 94 CO -0.32 0.14 -2.45 -2.13 -2.81 0.00 0.00 179.45 171.88 2rml n ARG 95 N -4.41 0.66 -0.28 1.90 0.63 -0.40 -4.39 116.66 110.36 2rml n ARG 95 Ca 0.17 0.11 0.16 0.00 -0.92 0.00 0.00 57.85 57.37 2rml n ARG 95 Cb 0.75 -1.52 0.43 0.00 0.45 0.00 0.00 32.46 32.57 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2rml h LEU 96 N 0.00 0.56 -1.33 6.15 -0.00 -0.91 -3.30 115.31 116.48 2rml h LEU 96 Ca -0.57 0.06 0.30 0.00 -0.00 0.00 0.00 57.88 57.67 2rml h LEU 96 Cb 1.98 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 42.55 2rml h LEU 96 CO -0.06 0.23 1.11 0.78 -0.00 0.00 0.00 178.44 180.50 2rml h ASN 97 N 0.56 0.00 -0.02 -0.43 2.35 -1.39 -3.05 115.58 113.61 2rml h ASN 97 Ca 0.50 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 56.08 2rml h ASN 97 Cb 1.01 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.22 2rml h ASN 97 CO -0.24 0.00 -0.31 2.29 -1.65 0.00 0.00 177.43 177.52 2rml n LYS 98 N -3.42 1.29 -1.95 0.81 2.85 -1.24 -4.37 118.16 112.12 2rml n LYS 98 Ca 0.23 -1.30 -0.26 0.00 -1.05 0.00 0.00 58.31 55.93 2rml n LYS 98 Cb 1.43 0.34 -0.07 0.00 -0.65 0.00 0.00 35.03 36.08 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2rml n ILE 99 N -1.40 1.58 -3.30 0.58 5.41 -1.15 -4.67 119.36 116.41 2rml n ILE 99 Ca -0.17 -1.64 -0.17 0.00 1.00 0.00 0.00 62.75 61.77 2rml n ILE 99 Cb 0.86 -2.14 0.06 0.00 -0.71 0.00 0.00 39.64 37.71 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 8.21 -2.05 0.00 0.38 2.13 -1.26 -0.41 120.64 127.64 2rml n GLU 100 Ca 0.44 0.85 0.00 0.00 0.66 0.00 0.00 57.16 59.11 2rml n GLU 100 Cb 0.46 -5.58 0.00 0.00 0.27 0.00 0.00 31.44 26.60 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 -1.33 2.31 3.70 8.31 0.00 -1.10 -4.65 105.19 112.43 2rml n GLY 101 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.41 3.18 -0.22 1.61 1.01 0.45 -0.75 120.40 123.28 2rml s VAL 102 Ca 0.00 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 2rml s VAL 102 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 2rml s VAL 102 CO 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 175.10 174.88 2rml n ALA 103 N 5.04 1.56 -2.89 5.51 0.00 0.24 -3.74 120.51 126.23 2rml n ALA 103 Ca 0.14 -0.89 -0.12 0.00 0.00 0.00 0.00 53.44 52.57 2rml n ALA 103 Cb 0.41 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 2rml n ALA 103 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2rml s ASN 104 N -6.47 0.56 -0.50 0.00 0.01 -0.64 -4.58 114.94 103.32 2rml s ASN 104 Ca -0.29 -0.43 0.06 0.00 -0.71 0.00 0.00 52.86 51.49 2rml s ASN 104 Cb 0.09 0.04 0.22 0.00 0.41 0.00 0.00 41.25 42.01 2rml s ASN 104 CO 0.44 -0.18 0.79 0.00 -1.51 0.00 0.00 177.10 176.64 2rml n ALA 105 N 1.84 -1.37 -2.49 0.60 0.00 -1.26 -0.53 120.51 117.29 2rml n ALA 105 Ca -0.21 -1.35 -0.42 0.00 0.00 0.00 0.00 53.44 51.46 2rml n ALA 105 Cb 0.56 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 2rml n ALA 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rml s PRO 106 N 0.69 4.41 -0.15 0.00 0.04 -1.20 -4.52 135.00 134.27 2rml s PRO 106 Ca 0.31 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 2rml s PRO 106 Cb 0.12 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2rml s PRO 106 CO -0.15 -0.33 0.13 0.08 0.04 0.00 0.00 177.00 176.76 2rml s VAL 107 N 1.70 5.40 -0.39 -0.36 1.01 -1.26 -2.89 120.40 123.61 2rml s VAL 107 Ca 0.56 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.44 2rml s VAL 107 Cb -0.25 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2rml s VAL 107 CO 0.25 0.55 1.03 0.21 0.00 0.00 0.00 175.10 177.14 2rml s ASN 108 N -0.52 6.72 0.00 3.32 3.84 0.58 -4.94 114.94 123.95 2rml s ASN 108 Ca 0.12 0.64 0.25 0.00 0.21 0.00 0.00 52.86 54.09 2rml s ASN 108 Cb -0.12 -2.51 1.45 0.00 -0.55 0.00 0.00 41.25 39.53 2rml s ASN 108 CO 0.02 -0.99 1.94 2.22 -2.79 0.00 0.00 177.10 177.50 2rml n PHE 109 N 7.14 0.01 0.00 0.43 1.16 -1.26 -2.92 117.46 122.02 2rml n PHE 109 Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 57.45 55.67 2rml n PHE 109 Cb 0.48 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2rml n ALA 110 N -0.78 1.06 0.52 1.98 0.00 -1.26 -4.08 120.51 117.94 2rml n ALA 110 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.73 2rml n ALA 110 Cb 0.11 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.62 2.79 -4.30 0.00 4.77 -1.26 -4.99 117.00 113.40 2rml n LEU 111 Ca 0.00 -1.28 -0.38 0.00 -0.03 0.00 0.00 56.01 54.32 2rml n LEU 111 Cb 0.00 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 2rml n LEU 111 CO 0.00 0.64 -0.06 -0.62 -1.33 0.00 0.00 177.39 176.02 2rml n GLU 112 N 1.04 -2.60 -4.47 3.23 4.71 -1.15 -4.95 120.64 116.45 2rml n GLU 112 Ca 0.18 0.32 -0.23 0.00 -0.01 0.00 0.00 57.16 57.42 2rml n GLU 112 Cb 0.48 -5.00 -0.10 0.00 -1.01 0.00 0.00 31.44 25.81 2rml n GLU 112 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2rml s THR 113 N -3.29 1.08 -0.05 2.62 -4.23 -1.24 -1.25 115.64 109.27 2rml s THR 113 Ca 0.75 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.21 2rml s THR 113 Cb -0.42 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 70.75 2rml s THR 113 CO 0.95 0.00 0.15 0.54 -0.54 0.00 0.00 174.62 175.72 2rml s VAL 114 N -3.27 0.01 -0.17 2.29 0.11 -0.11 -0.30 120.40 118.97 2rml s VAL 114 Ca 0.33 -0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2rml s VAL 114 Cb 0.07 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 2rml s VAL 114 CO 0.15 -0.06 0.07 -0.89 -3.33 0.00 0.00 175.10 171.03 2rml s THR 115 N -0.16 4.86 -0.05 5.04 2.01 -1.14 -1.15 115.64 125.05 2rml s THR 115 Ca -0.02 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2rml s THR 115 Cb -0.02 -3.17 -0.00 0.00 0.01 0.00 0.00 72.50 69.31 2rml s THR 115 CO 0.00 0.49 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.54 2rml s VAL 116 N 0.11 1.60 -0.19 3.82 1.01 0.40 -3.24 120.40 123.90 2rml s VAL 116 Ca 0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2rml s VAL 116 Cb -0.12 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2rml s VAL 116 CO 0.00 0.45 -0.10 -0.70 0.00 0.00 0.00 175.10 174.76 2rml s GLU 117 N 0.04 3.30 0.04 2.72 2.12 0.31 -1.33 118.70 125.90 2rml s GLU 117 Ca -0.05 -0.68 -0.26 0.00 0.36 0.00 0.00 54.97 54.34 2rml s GLU 117 Cb -0.13 -2.82 0.07 0.00 0.26 0.00 0.00 34.13 31.51 2rml s GLU 117 CO 0.03 -0.09 0.61 1.52 -0.54 0.00 0.00 175.26 176.79 2rml s TYR 118 N 1.14 -0.56 -0.52 5.30 1.13 -0.62 -0.59 117.35 122.63 2rml s TYR 118 Ca 0.01 0.71 -0.29 0.00 -1.41 0.00 0.00 57.07 56.09 2rml s TYR 118 Cb -0.14 0.44 0.03 0.00 -1.10 0.00 0.00 41.96 41.18 2rml s TYR 118 CO -0.03 -0.69 1.19 -0.80 -2.51 0.00 0.00 175.55 172.71 2rml s ASN 119 N -1.88 6.52 0.52 -0.18 0.02 0.07 -0.40 114.94 119.61 2rml s ASN 119 Ca -0.06 0.33 0.34 0.00 -1.02 0.00 0.00 52.86 52.46 2rml s ASN 119 Cb -0.01 -2.55 1.54 0.00 0.02 0.00 0.00 41.25 40.25 2rml s ASN 119 CO -0.00 -1.38 2.01 1.55 0.02 0.00 0.00 177.10 179.30 2rml h PRO 120 N 9.54 0.00 -0.67 -0.60 0.13 -1.82 -3.10 132.00 135.47 2rml h PRO 120 Ca -0.24 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.08 2rml h PRO 120 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 2rml h PRO 120 CO 1.15 0.00 0.52 -0.22 -0.23 0.00 0.00 178.00 179.22 2rml h LYS 121 N 0.00 0.00 -0.59 0.86 3.11 -1.90 -2.79 116.57 115.26 2rml h LYS 121 Ca 0.00 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.56 2rml h LYS 121 Cb 0.34 0.00 -0.35 0.00 -1.00 0.00 0.00 32.23 31.23 2rml h LYS 121 CO 0.00 0.00 -0.98 0.39 -2.81 0.00 0.00 179.45 176.05 2rml n GLU 122 N -4.17 1.37 -3.71 1.90 -0.58 -1.19 -5.11 120.64 109.15 2rml n GLU 122 Ca 0.13 -2.97 -0.14 0.00 -0.42 0.00 0.00 57.16 53.77 2rml n GLU 122 Cb 0.77 -1.06 -0.08 0.00 -0.57 0.00 0.00 31.44 30.50 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 -2.64 -0.95 0.24 0.62 0.00 -1.06 -4.68 121.76 113.29 2rml s ALA 123 Ca 0.25 0.43 -0.19 0.00 0.00 0.00 0.00 51.96 52.44 2rml s ALA 123 Cb 0.40 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.69 2rml s ALA 123 CO -0.02 -0.32 0.61 -1.54 0.00 0.00 0.00 175.76 174.48 2rml s SER 124 N -1.50 -0.27 0.36 0.00 1.04 -1.26 -4.64 113.70 107.44 2rml s SER 124 Ca -0.11 -0.55 0.25 0.00 0.48 0.00 0.00 55.95 56.01 2rml s SER 124 Cb -0.03 0.65 1.33 0.00 0.10 0.00 0.00 66.02 68.06 2rml s SER 124 CO 0.03 -1.18 1.76 0.58 0.98 0.00 0.00 173.24 175.40 2rml h VAL 125 N 2.10 0.00 0.12 5.02 2.07 -2.01 -2.33 116.25 121.22 2rml h VAL 125 Ca -0.25 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2rml h VAL 125 Cb 1.26 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2rml h VAL 125 CO 0.31 0.00 -0.15 0.28 0.02 0.00 0.00 177.57 178.03 2rml h SER 126 N 0.00 -0.39 -0.69 0.57 0.02 -1.99 -1.35 113.55 109.72 2rml h SER 126 Ca 0.00 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 2rml h SER 126 Cb 0.02 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 2rml h SER 126 CO 0.00 -0.22 0.39 0.44 -1.14 0.00 0.00 176.83 176.30 2rml h ASP 127 N -0.31 0.57 0.12 3.07 3.32 -1.84 -0.26 116.42 121.09 2rml h ASP 127 Ca 0.01 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2rml h ASP 127 Cb 0.30 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2rml h ASP 127 CO -0.05 0.36 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.70 2rml h LEU 128 N 0.70 -0.14 -0.28 1.55 -0.00 -1.64 -2.07 115.31 113.43 2rml h LEU 128 Ca 0.31 -0.26 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 2rml h LEU 128 Cb 0.21 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 2rml h LEU 128 CO -0.19 0.19 0.12 0.11 -0.00 0.00 0.00 178.44 178.66 2rml h LYS 129 N -0.49 0.41 0.00 1.13 1.57 -0.98 -1.37 116.57 116.85 2rml h LYS 129 Ca -0.02 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 2rml h LYS 129 Cb 0.39 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2rml h LYS 129 CO 0.03 0.42 -0.24 0.93 -0.57 0.00 0.00 179.45 180.02 2rml h GLU 130 N 0.31 0.00 -0.07 3.15 5.08 -1.09 -1.33 114.58 120.62 2rml h GLU 130 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2rml h GLU 130 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2rml h GLU 130 CO -0.01 0.24 -0.21 0.00 -1.00 0.00 0.00 179.01 178.03 2rml h ALA 131 N 1.76 0.12 0.00 3.43 0.00 -1.21 -3.35 119.26 120.02 2rml h ALA 131 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2rml h ALA 131 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2rml h ALA 131 CO 0.03 0.09 -0.26 0.28 0.00 0.00 0.00 179.25 179.39 2rml h VAL 132 N -0.22 0.62 -0.85 0.00 2.07 -0.94 -3.11 116.25 113.82 2rml h VAL 132 Ca -0.01 -1.23 0.21 0.00 0.82 0.00 0.00 66.70 66.50 2rml h VAL 132 Cb 0.83 1.82 -0.12 0.00 -1.52 0.00 0.00 31.29 32.29 2rml h VAL 132 CO 0.04 0.25 0.31 -0.78 0.02 0.00 0.00 177.57 177.42 2rml h ASP 133 N 0.00 0.19 -0.16 0.57 3.58 -1.38 -1.24 116.42 117.98 2rml h ASP 133 Ca -0.00 0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.53 2rml h ASP 133 Cb 0.79 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 2rml h ASP 133 CO 0.03 -0.03 -0.13 0.50 -2.88 0.00 0.00 179.24 176.73 2rml h LYS 134 N 0.34 0.54 0.00 0.28 1.63 -1.71 -2.93 116.57 114.71 2rml h LYS 134 Ca 0.52 -0.16 -0.19 0.00 -0.85 0.00 0.00 60.65 59.96 2rml h LYS 134 Cb 0.97 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.52 2rml h LYS 134 CO -0.54 0.66 -0.98 -0.07 -3.45 0.00 0.00 179.45 175.07 2rml h LEU 135 N 0.49 0.00 0.00 5.20 -0.00 -1.49 -3.49 115.31 116.02 2rml h LEU 135 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2rml h LEU 135 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2rml h LEU 135 CO 0.03 0.87 0.00 0.61 -0.00 0.00 0.00 178.44 179.95 2rml n GLY 136 N 1.34 1.75 0.00 0.83 0.00 -0.55 -5.11 105.19 103.46 2rml n GLY 136 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.60 0.00 -4.27 1.61 4.01 -1.24 -5.05 117.16 111.62 2rml n TYR 137 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 2rml n TYR 137 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 2rml n TYR 137 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2rml n LYS 138 N 0.00 0.44 -4.35 -0.72 -0.00 -1.26 -4.61 118.16 107.65 2rml n LYS 138 Ca 0.00 -3.33 -0.23 0.00 -0.00 0.00 0.00 58.31 54.75 2rml n LYS 138 Cb 0.00 2.76 -0.17 0.00 -0.00 0.00 0.00 35.03 37.63 2rml n LYS 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2rml s LEU 139 N 0.00 1.47 0.02 -5.58 1.43 -1.26 -4.51 118.68 110.25 2rml s LEU 139 Ca 0.40 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 2rml s LEU 139 Cb 0.02 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 2rml s LEU 139 CO 0.28 -0.02 0.20 -0.54 0.23 0.00 0.00 176.35 176.51 2rml s LYS 140 N 0.88 3.46 0.62 1.70 1.02 -0.60 -4.98 119.74 121.84 2rml s LYS 140 Ca -0.11 -0.34 -0.15 0.00 0.02 0.00 0.00 55.97 55.39 2rml s LYS 140 Cb -0.15 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 2rml s LYS 140 CO 0.01 0.64 1.07 -0.51 -0.92 0.00 0.00 175.35 175.64 2rml s LEU 141 N -2.14 3.43 -0.19 3.17 1.43 -1.26 -0.86 118.68 122.26 2rml s LEU 141 Ca 0.30 1.83 -0.04 0.00 -1.03 0.00 0.00 54.13 55.19 2rml s LEU 141 Cb -0.13 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.54 2rml s LEU 141 CO 0.22 -1.30 -0.02 -0.75 0.23 0.00 0.00 176.35 174.73 2rml s LYS 142 N -4.19 3.60 0.00 1.70 2.20 -0.77 -0.46 119.74 121.81 2rml s LYS 142 Ca 0.64 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 2rml s LYS 142 Cb -0.17 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2rml s LYS 142 CO 0.40 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.87 2rml n GLY 143 N 4.06 2.64 2.33 5.54 0.00 -1.26 -4.69 105.19 113.81 2rml n GLY 143 Ca -0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 1.99 0.00 1.61 1.02 -1.26 -4.77 120.64 119.23 2rml n GLU 144 Ca 0.00 -3.48 0.00 0.00 -0.02 0.00 0.00 57.16 53.66 2rml n GLU 144 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 2rml n GLU 144 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2rml n GLN 145 N -0.52 0.00 0.03 3.49 6.02 -1.02 -4.45 117.38 120.92 2rml n GLN 145 Ca 0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.10 2rml n GLN 145 Cb 0.88 0.00 0.12 0.00 1.02 0.00 0.00 30.24 32.26 2rml n GLN 145 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2rml h ASP 146 N 0.00 0.48 0.00 1.08 3.58 -1.11 -3.48 116.42 116.97 2rml h ASP 146 Ca 0.00 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.22 2rml h ASP 146 Cb 0.00 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.91 2rml h ASP 146 CO 0.00 0.88 0.00 -0.24 -2.88 0.00 0.00 179.24 177.00