#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml n LEU 2 N 0.00 0.00 -1.86 -0.89 -0.00 -1.26 -5.16 117.00 107.84 2rml n LEU 2 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 2rml n LEU 2 Cb 0.00 0.14 -0.01 0.00 -0.00 0.00 0.00 43.42 43.56 2rml n LEU 2 CO 0.00 -0.14 -0.17 -1.20 -0.00 0.00 0.00 177.39 175.87 2rml n SER 3 N -1.41 -2.92 -0.66 1.96 7.64 -1.26 -4.98 113.62 111.98 2rml n SER 3 Ca 0.00 0.43 0.11 0.00 1.01 0.00 0.00 58.87 60.42 2rml n SER 3 Cb 0.00 -2.33 0.35 0.00 -1.01 0.00 0.00 64.21 61.22 2rml n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2rml n GLU 4 N 0.34 1.87 -3.28 1.43 1.02 -1.26 -4.67 120.64 116.10 2rml n GLU 4 Ca -0.05 -1.31 -0.43 0.00 -0.02 0.00 0.00 57.16 55.35 2rml n GLU 4 Cb 0.08 -1.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 2rml n GLU 4 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2rml s GLN 5 N -1.76 3.11 0.36 3.49 -0.21 -1.26 -4.18 119.66 119.21 2rml s GLN 5 Ca 0.33 -0.77 0.08 0.00 0.02 0.00 0.00 55.36 55.02 2rml s GLN 5 Cb 0.18 -3.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.17 2rml s GLN 5 CO 0.27 -0.93 0.28 0.15 -2.12 0.00 0.00 175.29 172.94 2rml s LYS 6 N 2.26 2.57 0.08 2.91 -0.14 0.02 -4.90 119.74 122.54 2rml s LYS 6 Ca 0.13 -1.44 0.05 0.00 -1.36 0.00 0.00 55.97 53.35 2rml s LYS 6 Cb -0.17 -2.36 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 2rml s LYS 6 CO 0.14 0.01 -0.13 -1.83 -0.76 0.00 0.00 175.35 172.77 2rml s GLU 7 N -4.00 0.86 -0.17 1.68 1.03 -1.26 -1.08 118.70 115.75 2rml s GLU 7 Ca 0.42 -1.04 -0.28 0.00 0.03 0.00 0.00 54.97 54.11 2rml s GLU 7 Cb -0.04 -0.79 0.07 0.00 -0.80 0.00 0.00 34.13 32.57 2rml s GLU 7 CO 0.26 0.16 0.72 -1.50 -1.33 0.00 0.00 175.26 173.58 2rml s ILE 8 N -1.61 0.00 0.03 1.83 2.07 -0.74 -5.01 121.20 117.78 2rml s ILE 8 Ca 0.01 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 2rml s ILE 8 Cb -0.08 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 2rml s ILE 8 CO 0.02 0.00 -0.02 0.00 -1.91 0.00 0.00 174.94 173.03 2rml s ALA 9 N -0.36 0.26 0.18 1.50 0.00 -1.26 -0.54 121.76 121.54 2rml s ALA 9 Ca -0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 2rml s ALA 9 Cb -0.03 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2rml s ALA 9 CO 0.05 -0.25 0.46 -1.64 0.00 0.00 0.00 175.76 174.37 2rml s MET 10 N -2.52 1.28 0.29 0.00 -1.94 -0.16 -0.77 119.30 115.48 2rml s MET 10 Ca -0.06 -0.88 -0.28 0.00 -1.71 0.00 0.00 55.69 52.76 2rml s MET 10 Cb -0.02 0.49 -0.09 0.00 2.01 0.00 0.00 34.83 37.21 2rml s MET 10 CO -0.05 -0.53 1.03 -1.14 -0.01 0.00 0.00 175.02 174.32 2rml s GLN 11 N -3.87 4.62 -0.22 2.03 -0.44 -1.26 -0.46 119.66 120.05 2rml s GLN 11 Ca 0.09 1.61 0.01 0.00 -2.50 0.00 0.00 55.36 54.57 2rml s GLN 11 Cb 0.00 -3.07 0.05 0.00 -1.64 0.00 0.00 33.01 28.36 2rml s GLN 11 CO -0.04 0.26 -0.08 0.54 0.50 0.00 0.00 175.29 176.46 2rml s VAL 12 N -1.30 1.66 0.07 1.34 0.11 0.31 -4.33 120.40 118.26 2rml s VAL 12 Ca 0.46 -1.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2rml s VAL 12 Cb -0.27 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 2rml s VAL 12 CO 0.34 0.03 0.24 -0.55 -3.33 0.00 0.00 175.10 171.83 2rml s SER 13 N 1.36 6.38 0.00 3.54 0.15 0.31 -4.50 113.70 120.93 2rml s SER 13 Ca -0.04 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2rml s SER 13 Cb -0.18 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2rml s SER 13 CO -0.07 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2rml n GLY 14 N 0.24 0.91 3.78 9.45 0.00 -1.26 -0.31 105.19 117.99 2rml n GLY 14 Ca -0.05 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 2rml n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rml s MET 15 N -0.59 4.01 -0.29 1.61 -1.94 -1.26 -4.86 119.30 115.98 2rml s MET 15 Ca 0.00 1.65 -0.04 0.00 -1.71 0.00 0.00 55.69 55.60 2rml s MET 15 Cb 0.00 -2.52 0.10 0.00 2.01 0.00 0.00 34.83 34.42 2rml s MET 15 CO 0.00 -0.31 0.13 0.99 -0.01 0.00 0.00 175.02 175.82 2rml s THR 16 N -1.58 0.05 0.15 2.05 2.01 -1.26 -5.06 115.64 112.00 2rml s THR 16 Ca 0.60 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.77 2rml s THR 16 Cb -0.26 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.20 2rml s THR 16 CO 0.32 -0.71 0.00 0.00 -0.69 0.00 0.00 174.62 173.53 2rml n ALA 18 N -1.03 1.14 0.14 0.00 0.00 -1.26 -2.83 120.51 116.66 2rml n ALA 18 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 2rml n ALA 18 Cb 0.29 -1.04 0.24 0.00 0.00 0.00 0.00 19.45 18.95 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 2.08 1.14 -0.31 0.00 0.00 -1.99 0.41 119.26 120.59 2rml h ALA 19 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 2rml h ALA 19 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2rml h ALA 19 CO 0.00 0.62 -0.46 0.00 0.00 0.00 0.00 179.25 179.41 2rml h ALA 21 N 0.82 -0.10 -0.68 0.00 0.00 -1.62 -1.33 119.26 116.35 2rml h ALA 21 Ca 0.04 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.07 2rml h ALA 21 Cb 1.04 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2rml h ALA 21 CO 0.10 -0.57 0.46 0.00 0.00 0.00 0.00 179.25 179.24 2rml h ALA 22 N 0.83 2.10 -0.17 0.00 0.00 -0.85 0.88 119.26 122.05 2rml h ALA 22 Ca 0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2rml h ALA 22 Cb 0.13 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2rml h ALA 22 CO -0.03 -0.27 -0.61 0.00 0.00 0.00 0.00 179.25 178.34 2rml h ARG 23 N 0.39 0.72 0.32 0.00 2.47 -0.95 -3.16 114.38 114.17 2rml h ARG 23 Ca 0.33 -0.54 -0.02 0.00 -1.26 0.00 0.00 59.98 58.49 2rml h ARG 23 Cb 0.74 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 2rml h ARG 23 CO -0.10 1.16 -0.15 0.82 0.56 0.00 0.00 179.97 182.26 2rml h ILE 24 N 0.42 0.62 -0.31 2.04 2.04 -0.22 -3.12 117.51 118.98 2rml h ILE 24 Ca -0.03 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2rml h ILE 24 Cb 1.24 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2rml h ILE 24 CO 0.13 0.12 0.16 -0.33 0.00 0.00 0.00 178.15 178.23 2rml h GLU 25 N -0.84 0.44 -0.57 2.37 5.08 -1.02 -0.81 114.58 119.24 2rml h GLU 25 Ca -0.04 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2rml h GLU 25 Cb 0.52 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2rml h GLU 25 CO 0.07 0.40 0.37 -0.22 -1.00 0.00 0.00 179.01 178.64 2rml h LYS 26 N 0.38 0.66 -0.33 2.33 3.64 -1.71 -1.50 116.57 120.04 2rml h LYS 26 Ca 0.11 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2rml h LYS 26 Cb 0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2rml h LYS 26 CO -0.02 0.44 0.06 0.78 -2.27 0.00 0.00 179.45 178.45 2rml h GLY 27 N 0.68 0.59 1.37 5.01 0.00 -1.10 -3.07 103.07 106.55 2rml h GLY 27 Ca 0.22 -0.39 -0.28 0.00 0.00 0.00 0.00 47.33 46.89 2rml h GLY 27 CO -0.06 0.36 -1.16 1.41 0.00 0.00 0.00 176.54 177.09 2rml h LEU 28 N 0.38 0.73 -2.06 3.11 -0.00 -1.25 -3.30 115.31 112.91 2rml h LEU 28 Ca 0.10 -0.66 0.04 0.00 -0.00 0.00 0.00 57.88 57.36 2rml h LEU 28 Cb 0.33 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2rml h LEU 28 CO 0.00 1.48 0.11 0.50 -0.00 0.00 0.00 178.44 180.53 2rml h LYS 29 N 0.25 0.00 -3.40 1.13 1.63 -1.32 -3.00 116.57 111.86 2rml h LYS 29 Ca -0.15 0.00 -0.73 0.00 -0.85 0.00 0.00 60.65 58.92 2rml h LYS 29 Cb 1.83 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 33.37 2rml h LYS 29 CO 0.21 0.00 2.71 0.54 -3.45 0.00 0.00 179.45 179.47 2rml n ARG 30 N -4.37 3.59 -3.89 1.90 1.74 -1.16 -4.92 116.66 109.55 2rml n ARG 30 Ca 0.00 -3.04 -0.09 0.00 -0.77 0.00 0.00 57.85 53.96 2rml n ARG 30 Cb 0.23 -2.96 -0.08 0.00 -1.02 0.00 0.00 32.46 28.64 2rml n ARG 30 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2rml s MET 31 N 1.19 0.75 -0.03 5.56 -1.94 -1.14 -5.00 119.30 118.69 2rml s MET 31 Ca 0.49 -0.90 -0.05 0.00 -1.71 0.00 0.00 55.69 53.52 2rml s MET 31 Cb 0.14 0.30 -0.03 0.00 2.01 0.00 0.00 34.83 37.25 2rml s MET 31 CO -0.05 -0.22 0.33 -1.00 -0.01 0.00 0.00 175.02 174.07 2rml h PRO 32 N 3.07 -0.18 -1.90 2.03 0.13 -1.90 -3.38 132.00 129.87 2rml h PRO 32 Ca -0.33 0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.48 2rml h PRO 32 Cb 1.19 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 2rml h PRO 32 CO 0.55 -0.12 0.14 0.41 -0.23 0.00 0.00 178.00 178.76 2rml n GLY 33 N 1.06 3.73 3.09 1.56 0.00 -1.25 -4.87 105.19 108.51 2rml n GLY 33 Ca -0.02 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.14 1.09 -0.14 1.61 1.01 -1.26 -0.67 120.40 120.90 2rml s VAL 34 Ca 0.49 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2rml s VAL 34 Cb 0.30 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 2rml s VAL 34 CO -0.09 0.31 -0.05 0.74 0.00 0.00 0.00 175.10 176.01 2rml h THR 35 N 4.98 0.18 -2.03 3.92 2.02 -1.09 -3.46 112.91 117.43 2rml h THR 35 Ca -0.34 -1.19 0.17 0.00 0.77 0.00 0.00 66.41 65.82 2rml h THR 35 Cb 1.17 0.39 -0.15 0.00 -1.74 0.00 0.00 68.15 67.81 2rml h THR 35 CO 0.49 0.06 0.60 -0.62 0.37 0.00 0.00 175.52 176.41 2rml s ASP 36 N -5.83 -0.27 -0.01 4.18 2.15 -0.59 -5.00 116.67 111.30 2rml s ASP 36 Ca -0.13 -0.05 -0.01 0.00 0.43 0.00 0.00 52.55 52.79 2rml s ASP 36 Cb 0.02 0.32 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 2rml s ASP 36 CO 0.22 -0.53 0.02 0.00 -0.17 0.00 0.00 175.17 174.71 2rml s ALA 37 N -2.92 -0.05 -0.06 3.66 0.00 -1.26 -0.66 121.76 120.47 2rml s ALA 37 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 2rml s ALA 37 Cb -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.13 2rml s ALA 37 CO -0.06 -0.02 0.11 -0.80 0.00 0.00 0.00 175.76 174.99 2rml s ASN 38 N -0.09 0.69 -0.19 0.00 0.01 -0.04 -4.84 114.94 110.47 2rml s ASN 38 Ca -0.01 0.21 -0.04 0.00 -0.71 0.00 0.00 52.86 52.31 2rml s ASN 38 Cb -0.01 0.09 -0.02 0.00 0.41 0.00 0.00 41.25 41.72 2rml s ASN 38 CO -0.00 -0.22 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.66 2rml s VAL 39 N 1.96 3.75 0.01 1.60 1.01 -1.26 -1.13 120.40 126.35 2rml s VAL 39 Ca 0.01 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 2rml s VAL 39 Cb -0.12 -2.69 -0.32 0.00 0.00 0.00 0.00 36.38 33.26 2rml s VAL 39 CO -0.05 0.44 1.01 -1.13 0.00 0.00 0.00 175.10 175.38 2rml h ASN 40 N 7.48 0.74 0.00 3.32 -0.73 -1.21 -3.48 115.58 121.69 2rml h ASN 40 Ca -0.36 -0.89 0.00 0.00 1.87 0.00 0.00 56.30 56.93 2rml h ASN 40 Cb 1.18 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.53 2rml h ASN 40 CO 0.61 1.56 0.00 -0.11 -0.37 0.00 0.00 177.43 179.11 2rml n LEU 41 N -3.89 0.00 0.34 0.34 0.00 -1.26 -4.58 117.00 107.95 2rml n LEU 41 Ca -0.15 0.00 0.23 0.00 0.00 0.00 0.00 56.01 56.09 2rml n LEU 41 Cb 0.96 0.00 1.21 0.00 0.00 0.00 0.00 43.42 45.59 2rml n LEU 41 CO 0.56 0.00 1.18 0.00 0.00 0.00 0.00 177.39 179.13 2rml h ALA 42 N 0.00 1.00 0.00 1.96 0.00 -1.95 0.22 119.26 120.49 2rml h ALA 42 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 42 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rml h ALA 42 CO 0.00 0.00 -0.38 -2.37 0.00 0.00 0.00 179.25 176.50 2rml n THR 43 N -3.08 0.48 -1.09 0.00 5.66 -1.26 -5.05 114.28 109.93 2rml n THR 43 Ca -0.03 -0.58 -0.03 0.00 -3.05 0.00 0.00 64.05 60.36 2rml n THR 43 Cb 0.08 0.32 -0.01 0.00 -1.55 0.00 0.00 70.33 69.16 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 -0.36 -0.69 -2.84 1.09 2.13 0.06 -4.98 120.64 115.06 2rml n GLU 44 Ca 0.04 0.42 -0.40 0.00 0.66 0.00 0.00 57.16 57.87 2rml n GLU 44 Cb 0.69 -4.09 -0.05 0.00 0.27 0.00 0.00 31.44 28.25 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 -1.88 4.52 -0.12 6.31 2.01 -1.26 -0.53 115.64 124.69 2rml s THR 45 Ca 0.00 1.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.88 2rml s THR 45 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2rml s THR 45 CO 0.00 0.37 -0.05 -0.55 -0.69 0.00 0.00 174.62 173.70 2rml s SER 46 N -0.25 4.74 -0.04 3.53 0.15 0.39 -0.59 113.70 121.62 2rml s SER 46 Ca 0.42 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 57.03 2rml s SER 46 Cb -0.23 -1.53 0.01 0.00 -1.71 0.00 0.00 66.02 62.56 2rml s SER 46 CO 0.27 0.26 -0.12 0.20 1.20 0.00 0.00 173.24 175.06 2rml s ASN 47 N -0.18 1.60 -0.00 5.45 0.01 -0.29 -0.99 114.94 120.54 2rml s ASN 47 Ca 0.03 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 51.94 2rml s ASN 47 Cb -0.13 -0.55 -0.01 0.00 0.41 0.00 0.00 41.25 40.97 2rml s ASN 47 CO 0.03 0.07 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.93 2rml s VAL 48 N 0.34 0.54 -0.09 1.60 1.01 0.30 -0.86 120.40 123.23 2rml s VAL 48 Ca -0.07 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2rml s VAL 48 Cb -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.81 2rml s VAL 48 CO 0.02 0.14 -0.19 -0.63 0.00 0.00 0.00 175.10 174.45 2rml s ILE 49 N -0.18 1.67 0.22 2.22 1.09 0.16 -1.79 121.20 124.59 2rml s ILE 49 Ca 0.02 -0.78 -0.09 0.00 -1.10 0.00 0.00 60.65 58.71 2rml s ILE 49 Cb -0.03 -1.48 -0.01 0.00 -1.06 0.00 0.00 42.46 39.88 2rml s ILE 49 CO -0.00 0.47 0.35 -0.72 -0.10 0.00 0.00 174.94 174.95 2rml s TYR 50 N 0.61 0.57 -0.25 3.97 1.13 -0.24 -0.50 117.35 122.64 2rml s TYR 50 Ca -0.14 -0.89 -0.11 0.00 -1.41 0.00 0.00 57.07 54.52 2rml s TYR 50 Cb -0.16 -0.04 -0.05 0.00 -1.10 0.00 0.00 41.96 40.60 2rml s TYR 50 CO 0.04 -0.85 0.17 0.34 -2.51 0.00 0.00 175.55 172.75 2rml s ASP 51 N -3.04 6.11 0.00 -0.18 -1.08 0.15 -0.80 116.67 117.82 2rml s ASP 51 Ca 0.26 0.10 0.31 0.00 -0.52 0.00 0.00 52.55 52.69 2rml s ASP 51 Cb 0.02 -2.11 1.59 0.00 -1.46 0.00 0.00 42.92 40.96 2rml s ASP 51 CO 0.08 0.04 2.06 -0.81 0.52 0.00 0.00 175.17 177.05 2rml n PRO 52 N 4.44 1.09 -0.07 4.34 -0.04 -1.26 -2.14 135.00 141.37 2rml n PRO 52 Ca -0.15 -0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 62.92 2rml n PRO 52 Cb 0.52 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.73 1.39 0.73 0.55 0.00 -1.26 -4.61 120.51 116.58 2rml n ALA 53 Ca 0.21 -1.02 0.09 0.00 0.00 0.00 0.00 53.44 52.72 2rml n ALA 53 Cb 0.20 -0.43 0.06 0.00 0.00 0.00 0.00 19.45 19.27 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 -3.04 1.46 -3.71 0.00 -0.58 -1.21 -4.97 120.64 108.58 2rml n GLU 54 Ca -0.31 -1.43 -0.13 0.00 -0.42 0.00 0.00 57.16 54.87 2rml n GLU 54 Cb 1.08 -1.33 -0.09 0.00 -0.57 0.00 0.00 31.44 30.53 2rml n GLU 54 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2rml s THR 55 N -1.53 -0.00 0.13 2.62 2.01 -0.91 -3.92 115.64 114.04 2rml s THR 55 Ca 0.19 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.24 2rml s THR 55 Cb 0.14 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2rml s THR 55 CO 0.25 0.00 0.18 -0.83 -0.69 0.00 0.00 174.62 173.53 2rml s GLY 56 N 0.39 1.81 0.10 4.40 0.00 -1.26 -4.38 107.32 108.38 2rml s GLY 56 Ca -0.01 -1.09 -0.32 0.00 0.00 0.00 0.00 44.72 43.30 2rml s GLY 56 CO -0.01 -1.09 1.59 -0.84 0.00 0.00 0.00 173.10 172.76 2rml h THR 57 N 2.02 0.18 -0.41 0.90 2.02 -1.98 -3.10 112.91 112.53 2rml h THR 57 Ca -0.47 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.76 2rml h THR 57 Cb 1.19 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2rml h THR 57 CO 0.67 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.84 2rml h ALA 58 N -0.35 1.96 0.00 6.16 0.00 -1.98 0.42 119.26 125.47 2rml h ALA 58 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 58 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2rml h ALA 58 CO -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2rml h ALA 59 N 1.77 1.00 0.41 0.00 0.00 -1.96 -1.78 119.26 118.70 2rml h ALA 59 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2rml h ALA 59 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2rml h ALA 59 CO -0.04 0.00 -0.20 0.82 0.00 0.00 0.00 179.25 179.83 2rml h ILE 60 N 0.00 0.00 -0.19 0.00 2.04 -1.00 -1.77 117.51 116.59 2rml h ILE 60 Ca 0.00 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 2rml h ILE 60 Cb 0.22 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2rml h ILE 60 CO 0.00 0.00 -0.18 0.06 0.00 0.00 0.00 178.15 178.03 2rml h GLN 61 N -1.15 0.32 -0.79 2.37 -0.00 -1.65 -1.90 115.11 112.31 2rml h GLN 61 Ca -0.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.49 2rml h GLN 61 Cb 0.42 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.48 27.83 2rml h GLN 61 CO 0.09 0.50 0.47 1.49 -0.00 0.00 0.00 178.83 181.38 2rml h GLU 62 N 0.30 1.08 0.00 0.06 4.81 -1.43 -0.81 114.58 118.59 2rml h GLU 62 Ca 0.05 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2rml h GLU 62 Cb 0.50 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2rml h GLU 62 CO 0.03 0.76 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.79 2rml h LYS 63 N 1.09 0.00 0.08 1.92 3.64 -0.53 0.67 116.57 123.45 2rml h LYS 63 Ca 0.28 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2rml h LYS 63 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2rml h LYS 63 CO -0.05 0.07 -0.04 0.82 -2.27 0.00 0.00 179.45 177.97 2rml h ILE 64 N 0.00 1.12 0.00 2.00 5.03 -0.84 -3.35 117.51 121.46 2rml h ILE 64 Ca -0.00 -1.41 0.00 0.00 -0.12 0.00 0.00 64.86 63.33 2rml h ILE 64 Cb 0.40 1.93 0.00 0.00 -3.03 0.00 0.00 36.82 36.12 2rml h ILE 64 CO 0.01 0.31 0.00 -0.33 -0.68 0.00 0.00 178.15 177.46 2rml h GLU 65 N -0.83 0.00 -0.12 2.37 5.08 -0.89 -1.45 114.58 118.74 2rml h GLU 65 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2rml h GLU 65 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2rml h GLU 65 CO 0.02 0.00 0.21 -0.22 -1.00 0.00 0.00 179.01 178.02 2rml h LYS 66 N 0.00 0.00 0.00 2.33 3.11 -1.00 -1.43 116.57 119.58 2rml h LYS 66 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2rml h LYS 66 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 2rml h LYS 66 CO 0.00 0.00 -0.61 -0.07 -2.81 0.00 0.00 179.45 175.96 2rml h LEU 67 N 0.00 0.00 0.00 5.20 -0.00 -1.44 -3.48 115.31 115.59 2rml h LEU 67 Ca 0.06 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 2rml h LEU 67 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2rml h LEU 67 CO -0.00 0.10 0.00 0.61 -0.00 0.00 0.00 178.44 179.15 2rml n GLY 68 N 1.33 0.76 3.76 0.83 0.00 -0.54 -5.09 105.19 106.25 2rml n GLY 68 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.02 3.58 -0.20 1.61 2.02 -1.26 -4.93 117.35 116.15 2rml s TYR 69 Ca 0.00 0.87 -0.07 0.00 -0.37 0.00 0.00 57.07 57.49 2rml s TYR 69 Cb 0.00 -2.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 2rml s TYR 69 CO 0.00 0.35 0.06 -1.01 -1.57 0.00 0.00 175.55 173.38 2rml s HIS 70 N 0.00 3.19 0.20 2.71 3.76 0.58 -3.61 115.29 122.12 2rml s HIS 70 Ca 0.23 -0.05 0.13 0.00 -0.15 0.00 0.00 55.06 55.22 2rml s HIS 70 Cb -0.15 -2.11 0.38 0.00 1.11 0.00 0.00 32.58 31.82 2rml s HIS 70 CO 0.10 0.03 1.61 0.28 -0.85 0.00 0.00 174.74 175.91 2rml h VAL 71 N 5.04 1.26 -4.13 -0.90 2.07 -1.85 0.89 116.25 118.63 2rml h VAL 71 Ca -0.36 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.04 2rml h VAL 71 Cb 1.17 2.16 0.04 0.00 -1.52 0.00 0.00 31.29 33.15 2rml h VAL 71 CO 0.67 0.56 -0.18 0.52 0.02 0.00 0.00 177.57 179.16 2rml n VAL 72 N -3.63 -5.12 -2.80 2.57 0.31 -1.26 -4.66 118.33 103.74 2rml n VAL 72 Ca -0.01 -0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 63.55 2rml n VAL 72 Cb 0.62 -4.92 -0.03 0.00 -0.91 0.00 0.00 33.84 28.60 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 -3.08 4.78 0.06 2.52 -4.23 -1.26 -4.24 115.64 110.19 2rml s THR 73 Ca 0.10 1.77 0.01 0.00 -1.18 0.00 0.00 61.69 62.39 2rml s THR 73 Cb -0.01 -4.20 -0.03 0.00 1.34 0.00 0.00 72.50 69.59 2rml s THR 73 CO 0.35 -0.09 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.68 2rml s GLU 74 N 2.83 0.61 0.01 3.99 0.41 -0.22 -4.89 118.70 121.44 2rml s GLU 74 Ca 0.39 -1.06 0.07 0.00 -0.41 0.00 0.00 54.97 53.97 2rml s GLU 74 Cb -0.16 -0.05 -0.02 0.00 -1.78 0.00 0.00 34.13 32.12 2rml s GLU 74 CO 0.08 -0.04 -0.22 -1.59 -0.49 0.00 0.00 175.26 173.01 2rml s LYS 75 N -2.97 1.63 0.02 1.61 -2.85 -1.26 -1.40 119.74 114.52 2rml s LYS 75 Ca 0.01 -0.85 -0.01 0.00 -1.00 0.00 0.00 55.97 54.12 2rml s LYS 75 Cb 0.00 -1.65 -0.02 0.00 -2.06 0.00 0.00 37.83 34.10 2rml s LYS 75 CO -0.05 0.44 -0.02 0.00 0.10 0.00 0.00 175.35 175.83 2rml s ALA 76 N -0.62 0.14 -0.20 0.59 0.00 -0.10 -5.00 121.76 116.57 2rml s ALA 76 Ca 0.08 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 2rml s ALA 76 Cb -0.09 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2rml s ALA 76 CO 0.00 -0.20 -0.07 -1.21 0.00 0.00 0.00 175.76 174.29 2rml s GLU 77 N -1.81 3.36 -0.03 0.00 2.02 -1.26 -0.50 118.70 120.48 2rml s GLU 77 Ca -0.13 -0.65 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 2rml s GLU 77 Cb -0.07 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 2rml s GLU 77 CO -0.02 -0.11 0.10 -0.06 0.02 0.00 0.00 175.26 175.19 2rml s PHE 78 N 1.21 3.37 -0.46 1.61 0.40 -0.50 -2.80 117.98 120.81 2rml s PHE 78 Ca 0.02 0.28 -0.16 0.00 -0.60 0.00 0.00 56.93 56.48 2rml s PHE 78 Cb -0.14 -1.79 0.06 0.00 0.51 0.00 0.00 43.02 41.66 2rml s PHE 78 CO -0.02 0.59 0.39 0.34 0.70 0.00 0.00 175.22 177.22 2rml s ASP 79 N -1.59 6.15 -1.27 1.36 2.15 0.03 -1.41 116.67 122.09 2rml s ASP 79 Ca 0.22 -1.22 -0.11 0.00 0.43 0.00 0.00 52.55 51.87 2rml s ASP 79 Cb -0.12 -2.19 0.16 0.00 -0.30 0.00 0.00 42.92 40.48 2rml s ASP 79 CO 0.12 -0.63 1.75 -0.38 -0.17 0.00 0.00 175.17 175.87 2rml n ILE 80 N 5.23 4.29 -0.96 4.11 2.08 0.20 -1.40 119.36 132.90 2rml n ILE 80 Ca -0.12 -4.45 -0.34 0.00 0.56 0.00 0.00 62.75 58.40 2rml n ILE 80 Cb 0.44 -2.40 -0.04 0.00 -0.75 0.00 0.00 39.64 36.90 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 4.53 1.72 0.00 0.38 -0.58 -1.25 -3.01 120.64 122.43 2rml n GLU 81 Ca 0.39 -1.67 0.00 0.00 -0.42 0.00 0.00 57.16 55.47 2rml n GLU 81 Cb 0.38 -2.71 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 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 4.20 0.05 3.82 0.62 0.00 -1.26 -4.40 105.19 108.22 2rml n GLY 82 Ca 0.47 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 4.24 0.00 1.61 0.23 -1.16 -4.99 119.30 119.23 2rml s MET 83 Ca 0.00 1.00 0.00 0.00 -1.03 0.00 0.00 55.69 55.66 2rml s MET 83 Cb 0.00 -2.49 0.00 0.00 -1.53 0.00 0.00 34.83 30.81 2rml s MET 83 CO 0.00 0.15 0.77 0.25 -2.03 0.00 0.00 175.02 174.17 2rml n THR 84 N -0.10 0.00 -3.60 3.16 -2.24 -1.26 -5.02 114.28 105.22 2rml n THR 84 Ca 0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.75 2rml n THR 84 Cb 0.52 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.40 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 2.27 2.06 -0.80 0.00 0.00 -1.97 -1.01 119.26 119.81 2rml h ALA 86 Ca -0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2rml h ALA 86 Cb 1.18 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2rml h ALA 86 CO 0.27 -0.24 0.39 0.00 0.00 0.00 0.00 179.25 179.66 2rml h ALA 87 N 1.66 1.02 -0.30 0.00 0.00 -1.98 0.14 119.26 119.80 2rml h ALA 87 Ca 0.34 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2rml h ALA 87 Cb 0.74 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2rml h ALA 87 CO -0.11 0.59 -0.37 0.00 0.00 0.00 0.00 179.25 179.36 2rml h ALA 89 N 0.70 -1.02 -0.28 0.00 0.00 -1.17 -2.94 119.26 114.56 2rml h ALA 89 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2rml h ALA 89 Cb 0.95 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2rml h ALA 89 CO 0.09 -1.09 0.04 -0.97 0.00 0.00 0.00 179.25 177.31 2rml h ASN 90 N -0.99 0.37 -0.75 0.00 -0.73 -1.00 0.68 115.58 113.15 2rml h ASN 90 Ca -0.08 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.04 2rml h ASN 90 Cb 0.81 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 39.27 2rml h ASN 90 CO 0.07 0.40 0.48 0.03 -0.37 0.00 0.00 177.43 178.04 2rml h ARG 91 N 0.40 1.01 0.13 6.67 3.08 -1.28 -1.90 114.38 122.49 2rml h ARG 91 Ca 0.09 -0.07 -0.30 0.00 0.07 0.00 0.00 59.98 59.77 2rml h ARG 91 Cb 0.21 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2rml h ARG 91 CO 0.00 0.69 -1.42 -0.84 -1.07 0.00 0.00 179.97 177.32 2rml h ILE 92 N 1.03 1.29 -0.52 2.04 3.07 -1.19 -3.38 117.51 119.86 2rml h ILE 92 Ca 0.28 -2.88 0.10 0.00 1.55 0.00 0.00 64.86 63.91 2rml h ILE 92 Cb -0.08 2.85 -0.09 0.00 -0.27 0.00 0.00 36.82 39.22 2rml h ILE 92 CO -0.06 0.85 -0.07 -0.08 -1.05 0.00 0.00 178.15 177.74 2rml h GLU 93 N 0.08 0.05 -0.51 0.16 4.81 -0.61 -0.15 114.58 118.41 2rml h GLU 93 Ca -0.21 -0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.17 2rml h GLU 93 Cb 2.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.36 2rml h GLU 93 CO 0.19 0.03 0.44 0.87 -0.73 0.00 0.00 179.01 179.80 2rml h LYS 94 N 0.05 0.00 0.00 1.92 1.57 -1.52 0.31 116.57 118.90 2rml h LYS 94 Ca 0.26 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.87 2rml h LYS 94 Cb 0.40 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2rml h LYS 94 CO -0.49 0.00 -1.04 -0.09 -0.57 0.00 0.00 179.45 177.26 2rml h ARG 95 N 0.00 0.00 -1.00 3.15 2.43 -1.43 -3.41 114.38 114.12 2rml h ARG 95 Ca 0.24 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.59 2rml h ARG 95 Cb 1.11 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.56 2rml h ARG 95 CO -0.00 0.73 0.62 -0.07 -1.51 0.00 0.00 179.97 179.74 2rml h LEU 96 N -1.00 0.79 -1.82 3.80 -0.00 -0.53 -1.82 115.31 114.73 2rml h LEU 96 Ca -0.25 0.09 0.25 0.00 -0.00 0.00 0.00 57.88 57.97 2rml h LEU 96 Cb 1.08 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.64 2rml h LEU 96 CO -0.15 0.30 0.64 -1.13 -0.00 0.00 0.00 178.44 178.10 2rml h ASN 97 N 0.79 0.14 0.00 -0.43 -0.73 -1.12 -3.32 115.58 110.91 2rml h ASN 97 Ca 0.56 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.75 2rml h ASN 97 Cb 0.85 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.44 2rml h ASN 97 CO -0.36 0.05 -0.27 0.29 -0.37 0.00 0.00 177.43 176.77 2rml n LYS 98 N -4.36 0.67 0.00 6.67 5.02 -1.20 -3.87 118.16 121.10 2rml n LYS 98 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2rml n LYS 98 Cb 0.90 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 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 -1.25 0.00 -3.90 -0.18 5.41 -0.69 -0.97 119.36 117.79 2rml n ILE 99 Ca 0.00 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.48 2rml n ILE 99 Cb 0.14 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 38.90 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 1.48 0.00 0.38 2.12 -1.26 -4.83 118.70 116.60 2rml s GLU 100 Ca 0.00 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2rml s GLU 100 Cb 0.00 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.60 2rml s GLU 100 CO 0.00 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 2rml n GLY 101 N 4.91 0.67 3.74 -1.50 0.00 0.05 -4.94 105.19 108.12 2rml n GLY 101 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.54 4.76 -0.19 1.61 1.01 -0.14 -2.58 120.40 122.33 2rml s VAL 102 Ca 0.00 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 2rml s VAL 102 Cb 0.00 -4.15 -0.22 0.00 0.00 0.00 0.00 36.38 32.01 2rml s VAL 102 CO 0.00 0.32 0.09 0.00 0.00 0.00 0.00 175.10 175.51 2rml n ALA 103 N 3.03 1.19 -3.10 5.51 0.00 0.57 -4.37 120.51 123.34 2rml n ALA 103 Ca -0.01 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 2rml n ALA 103 Cb 0.50 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 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 -6.70 -0.05 -0.29 0.00 0.01 -0.53 -4.73 114.94 102.64 2rml s ASN 104 Ca -0.27 -0.02 0.06 0.00 -0.71 0.00 0.00 52.86 51.92 2rml s ASN 104 Cb 0.08 0.26 0.20 0.00 0.41 0.00 0.00 41.25 42.20 2rml s ASN 104 CO 0.69 -0.29 0.58 0.00 -1.51 0.00 0.00 177.10 176.58 2rml s ALA 105 N -0.96 -2.35 -0.03 0.60 0.00 -1.25 -0.74 121.76 117.04 2rml s ALA 105 Ca -0.10 1.03 -0.20 0.00 0.00 0.00 0.00 51.96 52.69 2rml s ALA 105 Cb -0.06 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 2rml s ALA 105 CO 0.01 -1.82 0.56 -1.25 0.00 0.00 0.00 175.76 173.26 2rml s PRO 106 N 2.82 4.30 -0.19 0.00 0.04 -1.25 -4.18 135.00 136.53 2rml s PRO 106 Ca 0.10 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 61.73 2rml s PRO 106 Cb -0.10 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2rml s PRO 106 CO -0.26 0.34 0.06 0.08 0.04 0.00 0.00 177.00 177.25 2rml s VAL 107 N -0.05 4.64 0.24 -0.36 1.01 -1.26 -3.05 120.40 121.57 2rml s VAL 107 Ca 0.30 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 2rml s VAL 107 Cb -0.17 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 2rml s VAL 107 CO 0.16 0.44 0.90 0.21 0.00 0.00 0.00 175.10 176.81 2rml s ASN 108 N 0.58 7.52 0.00 3.32 3.84 -0.40 -4.85 114.94 124.96 2rml s ASN 108 Ca 0.03 1.85 0.11 0.00 0.21 0.00 0.00 52.86 55.07 2rml s ASN 108 Cb -0.13 -2.58 0.12 0.00 -0.55 0.00 0.00 41.25 38.11 2rml s ASN 108 CO 0.01 0.12 0.91 2.22 -2.79 0.00 0.00 177.10 177.58 2rml n PHE 109 N 1.30 0.06 0.00 0.43 -1.74 -1.26 -3.88 117.46 112.37 2rml n PHE 109 Ca -0.02 -0.07 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 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 0.63 2.22 0.36 1.98 0.00 -1.26 -4.39 120.51 120.06 2rml n ALA 110 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.65 2rml n ALA 110 Cb 0.30 0.40 0.36 0.00 0.00 0.00 0.00 19.45 20.51 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 0.00 0.00 -0.00 -2.01 -3.47 115.31 109.83 2rml h LEU 111 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2rml h LEU 111 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2rml h LEU 111 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 178.44 177.82 2rml n GLU 112 N -2.78 -0.78 -3.71 1.13 1.02 -1.25 -4.98 120.64 109.30 2rml n GLU 112 Ca 0.04 0.19 -0.35 0.00 -0.02 0.00 0.00 57.16 57.02 2rml n GLU 112 Cb 0.43 -3.83 -0.08 0.00 -0.02 0.00 0.00 31.44 27.94 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 -1.70 5.40 -0.18 2.62 -4.23 -1.26 -0.63 115.64 115.66 2rml s THR 113 Ca 0.00 0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 60.64 2rml s THR 113 Cb 0.00 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 2rml s THR 113 CO 0.00 0.42 0.06 0.54 -0.54 0.00 0.00 174.62 175.09 2rml s VAL 114 N 0.52 4.74 -0.48 2.29 0.11 -0.50 -1.27 120.40 125.79 2rml s VAL 114 Ca 0.08 -0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 58.87 2rml s VAL 114 Cb -0.12 -3.13 0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2rml s VAL 114 CO -0.00 0.47 0.69 -0.89 -3.33 0.00 0.00 175.10 172.03 2rml s THR 115 N 0.33 4.77 -0.11 5.04 2.01 -1.17 -1.41 115.64 125.09 2rml s THR 115 Ca 0.03 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 2rml s THR 115 Cb -0.12 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 2rml s THR 115 CO 0.00 -0.77 0.08 -0.69 -0.69 0.00 0.00 174.62 172.56 2rml s VAL 116 N 2.94 4.99 -0.07 3.82 1.01 0.35 -3.81 120.40 129.64 2rml s VAL 116 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2rml s VAL 116 Cb -0.16 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.09 2rml s VAL 116 CO 0.16 0.60 -0.04 -0.70 0.00 0.00 0.00 175.10 175.12 2rml s GLU 117 N -0.85 0.97 0.35 2.72 2.12 0.08 -0.92 118.70 123.17 2rml s GLU 117 Ca 0.13 -0.09 -0.11 0.00 0.36 0.00 0.00 54.97 55.26 2rml s GLU 117 Cb -0.12 -1.08 0.04 0.00 0.26 0.00 0.00 34.13 33.24 2rml s GLU 117 CO 0.03 -0.18 0.65 2.48 -0.54 0.00 0.00 175.26 177.71 2rml n TYR 118 N 4.55 -2.04 -3.22 5.30 4.11 -0.49 -0.32 117.16 125.06 2rml n TYR 118 Ca -0.17 -1.82 -0.42 0.00 -0.00 0.00 0.00 57.90 55.50 2rml n TYR 118 Cb 0.50 0.76 -0.08 0.00 -0.00 0.00 0.00 39.34 40.53 2rml n TYR 118 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2rml s ASN 119 N -2.92 6.30 0.01 9.48 2.20 -1.06 -1.06 114.94 127.90 2rml s ASN 119 Ca 0.18 -0.19 0.17 0.00 -0.94 0.00 0.00 52.86 52.08 2rml s ASN 119 Cb -0.04 -2.28 0.74 0.00 -2.00 0.00 0.00 41.25 37.68 2rml s ASN 119 CO 0.13 -0.57 1.56 -0.81 -2.94 0.00 0.00 177.10 174.47 2rml n PRO 120 N 5.86 0.01 0.12 3.55 -0.04 -1.26 -3.74 135.00 139.49 2rml n PRO 120 Ca -0.04 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 63.68 2rml n PRO 120 Cb 0.48 -1.52 0.50 0.00 -0.04 0.00 0.00 33.50 32.92 2rml n PRO 120 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2rml h LYS 121 N 0.00 0.29 0.00 0.54 3.11 -1.92 -3.32 116.57 115.27 2rml h LYS 121 Ca 0.00 -0.02 -0.15 0.00 -2.81 0.00 0.00 60.65 57.66 2rml h LYS 121 Cb 0.30 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.44 2rml h LYS 121 CO 0.00 0.23 -1.57 0.39 -2.81 0.00 0.00 179.45 175.69 2rml n GLU 122 N -4.47 2.29 -4.35 1.90 -0.58 -1.25 -5.09 120.64 109.10 2rml n GLU 122 Ca 0.00 0.01 -0.27 0.00 -0.42 0.00 0.00 57.16 56.48 2rml n GLU 122 Cb 0.11 -1.21 -0.13 0.00 -0.57 0.00 0.00 31.44 29.64 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 -2.20 2.14 0.39 0.62 0.00 -1.25 -5.14 121.76 116.32 2rml s ALA 123 Ca -0.06 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 50.58 2rml s ALA 123 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2rml s ALA 123 CO 0.32 0.47 0.17 -1.54 0.00 0.00 0.00 175.76 175.18 2rml s SER 124 N -1.99 2.55 0.58 0.00 1.04 -1.26 -4.65 113.70 109.96 2rml s SER 124 Ca 0.11 -1.71 0.36 0.00 0.48 0.00 0.00 55.95 55.19 2rml s SER 124 Cb -0.10 0.55 1.61 0.00 0.10 0.00 0.00 66.02 68.18 2rml s SER 124 CO 0.05 -0.98 2.07 0.58 0.98 0.00 0.00 173.24 175.95 2rml h VAL 125 N 1.85 0.02 -0.53 5.02 2.07 -2.00 -2.00 116.25 120.68 2rml h VAL 125 Ca -0.32 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2rml h VAL 125 Cb 1.26 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 2rml h VAL 125 CO 0.51 0.00 0.13 0.28 0.02 0.00 0.00 177.57 178.52 2rml h SER 126 N 0.00 0.81 -0.26 0.57 0.02 -1.98 -0.79 113.55 111.91 2rml h SER 126 Ca -0.00 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.66 2rml h SER 126 Cb 0.40 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2rml h SER 126 CO 0.00 0.83 -0.09 0.44 -1.14 0.00 0.00 176.83 176.87 2rml h ASP 127 N 0.75 0.52 -0.77 3.07 3.32 -1.77 -0.67 116.42 120.87 2rml h ASP 127 Ca 0.17 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 2rml h ASP 127 Cb 0.34 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2rml h ASP 127 CO 0.00 0.79 0.30 -0.07 -1.72 0.00 0.00 179.24 178.54 2rml h LEU 128 N 0.25 1.07 0.73 1.55 3.38 -1.54 -0.17 115.31 120.59 2rml h LEU 128 Ca 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2rml h LEU 128 Cb 0.57 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2rml h LEU 128 CO 0.03 0.96 -0.48 0.11 0.09 0.00 0.00 178.44 179.15 2rml h LYS 129 N 1.12 -1.10 0.00 1.13 1.79 -1.00 -2.41 116.57 116.11 2rml h LYS 129 Ca 0.26 0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 2rml h LYS 129 Cb 0.23 0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2rml h LYS 129 CO -0.02 -0.74 -0.07 0.93 -1.08 0.00 0.00 179.45 178.48 2rml h GLU 130 N -1.14 0.00 0.00 3.15 5.08 -0.90 0.14 114.58 120.90 2rml h GLU 130 Ca -0.10 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2rml h GLU 130 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2rml h GLU 130 CO 0.08 0.07 -0.38 0.00 -1.00 0.00 0.00 179.01 177.78 2rml h ALA 131 N 1.93 1.04 0.00 3.43 0.00 -0.96 -3.35 119.26 121.34 2rml h ALA 131 Ca -0.00 -0.35 -0.37 0.00 0.00 0.00 0.00 54.91 54.20 2rml h ALA 131 Cb 0.21 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2rml h ALA 131 CO 0.01 0.47 -2.38 0.28 0.00 0.00 0.00 179.25 177.63 2rml n VAL 132 N -3.61 1.39 -0.13 0.00 0.31 -0.13 -4.68 118.33 111.49 2rml n VAL 132 Ca -0.01 -0.78 -0.01 0.00 -0.01 0.00 0.00 64.34 63.53 2rml n VAL 132 Cb 0.49 -0.69 0.23 0.00 -0.91 0.00 0.00 33.84 32.97 2rml n VAL 132 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2rml h ASP 133 N 0.00 0.75 0.92 4.52 3.58 -0.94 -1.28 116.42 123.97 2rml h ASP 133 Ca -0.55 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 56.81 2rml h ASP 133 Cb 2.15 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 43.00 2rml h ASP 133 CO 0.00 0.67 0.00 0.50 -2.88 0.00 0.00 179.24 177.54 2rml h LYS 134 N 0.82 0.00 -0.00 0.28 1.63 -1.83 -1.33 116.57 116.13 2rml h LYS 134 Ca 0.20 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2rml h LYS 134 Cb 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2rml h LYS 134 CO -0.02 0.00 -0.07 1.28 -3.45 0.00 0.00 179.45 177.19 2rml n LEU 135 N -2.76 0.20 0.00 5.20 7.99 -0.49 -4.97 117.00 122.17 2rml n LEU 135 Ca 0.01 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2rml n LEU 135 Cb 0.28 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 2rml n LEU 135 CO 0.24 0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.77 2rml n GLY 136 N 1.32 0.42 1.44 -0.72 0.00 -0.50 -5.07 105.19 102.08 2rml n GLY 136 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.39 -4.22 1.61 4.01 -1.25 -5.04 117.16 107.87 2rml n TYR 137 Ca 0.00 -0.80 -0.15 0.00 -0.16 0.00 0.00 57.90 56.79 2rml n TYR 137 Cb 0.00 -0.20 -0.09 0.00 -0.31 0.00 0.00 39.34 38.74 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 -2.95 1.40 0.02 -0.72 0.00 -1.26 -3.89 119.74 112.35 2rml s LYS 138 Ca 0.20 -1.76 0.03 0.00 0.00 0.00 0.00 55.97 54.44 2rml s LYS 138 Cb -0.02 0.29 -0.04 0.00 0.00 0.00 0.00 37.83 38.07 2rml s LYS 138 CO 0.13 -0.49 -0.01 -0.51 0.00 0.00 0.00 175.35 174.47 2rml s LEU 139 N -3.23 3.44 0.51 2.77 1.43 -1.26 -3.91 118.68 118.43 2rml s LEU 139 Ca 0.39 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2rml s LEU 139 Cb 0.05 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2rml s LEU 139 CO 0.17 0.25 0.01 -0.54 0.23 0.00 0.00 176.35 176.48 2rml s LYS 140 N -1.74 2.19 0.30 1.70 1.02 -0.49 -4.99 119.74 117.74 2rml s LYS 140 Ca 0.21 -2.40 0.08 0.00 0.02 0.00 0.00 55.97 53.88 2rml s LYS 140 Cb -0.11 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.69 2rml s LYS 140 CO 0.12 -0.38 0.13 -0.51 -0.92 0.00 0.00 175.35 173.78 2rml s LEU 141 N -3.87 3.38 -0.26 3.17 1.43 -1.26 -0.79 118.68 120.47 2rml s LEU 141 Ca 0.05 -0.62 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 2rml s LEU 141 Cb 0.01 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2rml s LEU 141 CO 0.03 -0.18 0.43 -0.75 0.23 0.00 0.00 176.35 176.11 2rml s LYS 142 N -3.82 4.05 0.00 1.70 2.20 -1.12 -1.21 119.74 121.54 2rml s LYS 142 Ca 0.36 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 2rml s LYS 142 Cb -0.05 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 2rml s LYS 142 CO 0.23 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 2rml n GLY 143 N 4.53 1.27 1.35 5.54 0.00 0.78 -4.66 105.19 114.00 2rml n GLY 143 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 1.05 0.00 1.61 2.13 -1.26 -4.25 120.64 119.92 2rml n GLU 144 Ca 0.00 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.72 2rml n GLU 144 Cb 0.00 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 30.67 2rml n GLU 144 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2rml n GLN 145 N 1.07 0.00 0.08 5.31 6.02 -1.22 -4.47 117.38 124.17 2rml n GLN 145 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.94 2rml n GLN 145 Cb 0.52 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.83 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 0.26 0.00 1.08 3.58 -1.40 -3.48 116.42 116.47 2rml h ASP 146 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2rml h ASP 146 Cb 0.00 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2rml h ASP 146 CO 0.00 0.92 0.00 -1.20 -2.88 0.00 0.00 179.24 176.08