#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 -0.66 0.00 4.03 2.96 -1.26 -5.17 118.68 118.59 2rml s LEU 2 Ca 0.00 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 2rml s LEU 2 Cb 0.00 2.32 0.00 0.00 0.50 0.00 0.00 46.19 49.01 2rml s LEU 2 CO 0.00 -0.28 0.00 -0.24 -1.32 0.00 0.00 176.35 174.51 2rml n SER 3 N 2.28 0.00 -3.89 3.68 2.88 -1.26 -5.15 113.62 112.16 2rml n SER 3 Ca -0.14 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.29 2rml n SER 3 Cb 0.56 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 2rml n SER 3 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2rml s GLU 4 N -1.32 0.40 0.02 -1.46 4.04 -1.26 -5.18 118.70 113.94 2rml s GLU 4 Ca 0.00 -0.36 0.00 0.00 0.04 0.00 0.00 54.97 54.65 2rml s GLU 4 Cb 0.00 0.17 -0.02 0.00 0.02 0.00 0.00 34.13 34.30 2rml s GLU 4 CO 0.00 -0.09 -0.03 -0.65 -1.84 0.00 0.00 175.26 172.65 2rml s GLN 5 N -1.20 0.30 -0.11 -4.83 -0.21 -1.26 -4.28 119.66 108.07 2rml s GLN 5 Ca -0.13 -0.54 -0.03 0.00 0.02 0.00 0.00 55.36 54.69 2rml s GLN 5 Cb -0.07 0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.93 2rml s GLN 5 CO 0.01 -0.02 0.01 0.15 -2.12 0.00 0.00 175.29 173.31 2rml s LYS 6 N -1.24 3.20 -0.05 2.91 3.01 -0.55 -4.95 119.74 122.08 2rml s LYS 6 Ca -0.12 -0.41 0.00 0.00 -1.01 0.00 0.00 55.97 54.43 2rml s LYS 6 Cb -0.08 -2.87 0.02 0.00 -1.01 0.00 0.00 37.83 33.89 2rml s LYS 6 CO -0.01 0.59 -0.03 -1.83 0.51 0.00 0.00 175.35 174.59 2rml s GLU 7 N -0.57 0.74 0.19 1.68 4.04 -1.26 -1.55 118.70 121.96 2rml s GLU 7 Ca 0.10 -0.03 -0.16 0.00 0.04 0.00 0.00 54.97 54.92 2rml s GLU 7 Cb -0.12 -0.87 0.02 0.00 0.02 0.00 0.00 34.13 33.18 2rml s GLU 7 CO 0.02 -0.16 0.48 0.96 -1.84 0.00 0.00 175.26 174.72 2rml s ILE 8 N 1.25 0.03 0.32 1.83 -5.25 -0.51 -4.90 121.20 113.97 2rml s ILE 8 Ca -0.06 -0.89 0.09 0.00 -0.99 0.00 0.00 60.65 58.80 2rml s ILE 8 Cb -0.14 -1.62 -0.04 0.00 2.95 0.00 0.00 42.46 43.61 2rml s ILE 8 CO -0.02 -0.16 0.08 0.00 -1.79 0.00 0.00 174.94 173.05 2rml s ALA 9 N -3.89 3.35 0.00 2.27 0.00 -1.26 -0.50 121.76 121.73 2rml s ALA 9 Ca 0.11 -1.79 -0.19 0.00 0.00 0.00 0.00 51.96 50.09 2rml s ALA 9 Cb -0.00 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.46 2rml s ALA 9 CO -0.02 0.12 0.41 -1.64 0.00 0.00 0.00 175.76 174.62 2rml s MET 10 N -3.77 0.83 0.21 0.00 -1.94 -0.04 -3.18 119.30 111.41 2rml s MET 10 Ca 0.35 -0.19 -0.06 0.00 -1.71 0.00 0.00 55.69 54.08 2rml s MET 10 Cb -0.03 0.37 -0.06 0.00 2.01 0.00 0.00 34.83 37.12 2rml s MET 10 CO 0.21 -0.26 0.48 -1.14 -0.01 0.00 0.00 175.02 174.30 2rml s GLN 11 N -1.77 3.68 -0.09 2.03 -0.44 -1.26 -0.47 119.66 121.34 2rml s GLN 11 Ca -0.10 0.04 -0.04 0.00 -2.50 0.00 0.00 55.36 52.77 2rml s GLN 11 Cb -0.03 -2.73 0.05 0.00 -1.64 0.00 0.00 33.01 28.67 2rml s GLN 11 CO 0.03 0.35 0.17 0.54 0.50 0.00 0.00 175.29 176.88 2rml s VAL 12 N -1.84 -0.26 -0.13 1.34 0.11 -1.25 -4.42 120.40 113.95 2rml s VAL 12 Ca 0.44 0.33 -0.15 0.00 -2.93 0.00 0.00 61.98 59.66 2rml s VAL 12 Cb -0.11 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 2rml s VAL 12 CO 0.25 0.14 0.37 -0.44 -3.33 0.00 0.00 175.10 172.09 2rml s SER 13 N 2.19 6.57 0.00 3.54 0.01 0.25 -4.46 113.70 121.80 2rml s SER 13 Ca 0.02 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2rml s SER 13 Cb -0.12 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2rml s SER 13 CO -0.06 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2rml n GLY 14 N 3.16 1.73 0.60 3.44 0.00 -1.26 -1.48 105.19 111.38 2rml n GLY 14 Ca -0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.56 1.53 0.00 1.61 2.81 -1.26 -4.57 117.12 116.67 2rml n MET 15 Ca 0.00 -0.47 0.04 0.00 -1.81 0.00 0.00 57.70 55.46 2rml n MET 15 Cb 0.00 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.26 2rml n MET 15 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2rml n THR 16 N 0.04 0.00 0.20 2.03 -1.04 -1.26 -1.10 114.28 113.14 2rml n THR 16 Ca 0.04 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.13 2rml n THR 16 Cb 0.33 -0.67 0.14 0.00 -1.82 0.00 0.00 70.33 68.31 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rml n ALA 18 N 0.89 0.00 0.12 0.00 0.00 -0.26 -4.45 120.51 116.80 2rml n ALA 18 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.64 2rml n ALA 18 Cb 0.44 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.30 2rml n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml n ALA 19 N 0.00 1.00 -0.28 0.00 0.00 -1.26 -1.61 120.51 118.36 2rml n ALA 19 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.67 2rml n ALA 19 Cb 0.00 -1.19 0.24 0.00 0.00 0.00 0.00 19.45 18.50 2rml n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 21 N 1.66 -1.19 -0.86 0.00 0.00 -1.62 -1.53 119.26 115.74 2rml h ALA 21 Ca 0.49 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2rml h ALA 21 Cb 0.88 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 2rml h ALA 21 CO -0.53 -1.20 0.56 0.00 0.00 0.00 0.00 179.25 178.08 2rml h ALA 22 N -0.96 1.85 -0.38 0.00 0.00 -1.56 -0.09 119.26 118.12 2rml h ALA 22 Ca -0.07 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2rml h ALA 22 Cb 0.90 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2rml h ALA 22 CO -0.03 -0.07 -0.25 0.00 0.00 0.00 0.00 179.25 178.90 2rml h ARG 23 N 0.67 0.85 -0.37 0.00 2.47 -0.76 -1.19 114.38 116.04 2rml h ARG 23 Ca 0.42 -0.40 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 2rml h ARG 23 Cb 0.68 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 2rml h ARG 23 CO -0.18 1.04 -0.03 0.82 0.56 0.00 0.00 179.97 182.17 2rml h ILE 24 N 0.65 1.27 -0.11 2.04 2.04 -0.16 -1.52 117.51 121.72 2rml h ILE 24 Ca 0.08 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2rml h ILE 24 Cb 0.82 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2rml h ILE 24 CO 0.07 0.35 0.06 -0.33 0.00 0.00 0.00 178.15 178.31 2rml h GLU 25 N 0.49 0.13 -0.91 2.37 5.08 -1.07 0.92 114.58 121.59 2rml h GLU 25 Ca 0.10 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2rml h GLU 25 Cb 0.52 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 2rml h GLU 25 CO 0.03 0.09 0.56 -0.22 -1.00 0.00 0.00 179.01 178.47 2rml h LYS 26 N 0.13 0.95 -0.26 2.33 3.64 -1.21 -1.46 116.57 120.69 2rml h LYS 26 Ca 0.04 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 2rml h LYS 26 Cb -0.00 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2rml h LYS 26 CO -0.02 0.63 -0.35 0.78 -2.27 0.00 0.00 179.45 178.21 2rml h GLY 27 N 0.97 0.77 0.45 5.01 0.00 -0.73 -3.35 103.07 106.20 2rml h GLY 27 Ca 0.42 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2rml h GLY 27 CO -0.21 0.75 -0.03 1.41 0.00 0.00 0.00 176.54 178.46 2rml h LEU 28 N 0.43 -0.07 -0.20 3.11 3.38 -0.70 -3.37 115.31 117.89 2rml h LEU 28 Ca 0.03 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2rml h LEU 28 Cb 0.94 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2rml h LEU 28 CO 0.08 0.46 0.04 1.17 0.09 0.00 0.00 178.44 180.28 2rml n LYS 29 N -4.88 0.02 0.05 1.13 3.00 -0.56 -0.54 118.16 116.38 2rml n LYS 29 Ca -0.09 0.48 0.12 0.00 -0.00 0.00 0.00 58.31 58.83 2rml n LYS 29 Cb 0.27 -1.61 0.24 0.00 0.00 0.00 0.00 35.03 33.93 2rml n LYS 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2rml n ARG 30 N -1.57 0.21 -2.05 1.64 1.74 -1.26 -4.92 116.66 110.46 2rml n ARG 30 Ca -0.00 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 2rml n ARG 30 Cb 0.05 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 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 -3.12 4.25 0.40 5.56 -1.94 0.30 -4.90 119.30 119.86 2rml s MET 31 Ca 0.08 2.21 0.13 0.00 -1.71 0.00 0.00 55.69 56.40 2rml s MET 31 Cb 0.14 -3.34 0.96 0.00 2.01 0.00 0.00 34.83 34.61 2rml s MET 31 CO 0.69 -0.58 1.92 -1.00 -0.01 0.00 0.00 175.02 176.05 2rml h PRO 32 N 7.27 0.50 -0.01 2.03 0.13 -1.90 -0.58 132.00 139.44 2rml h PRO 32 Ca -0.42 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2rml h PRO 32 Cb 1.20 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2rml h PRO 32 CO 0.90 0.33 -0.38 0.41 -0.23 0.00 0.00 178.00 179.03 2rml n GLY 33 N -1.49 -0.34 3.68 1.56 0.00 -0.40 -4.93 105.19 103.27 2rml n GLY 33 Ca 0.14 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2rml n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rml s VAL 34 N -2.51 4.78 -0.20 1.61 0.11 -0.23 -0.65 120.40 123.31 2rml s VAL 34 Ca 0.21 2.03 -0.12 0.00 -2.93 0.00 0.00 61.98 61.17 2rml s VAL 34 Cb 0.19 -4.31 -0.20 0.00 -1.53 0.00 0.00 36.38 30.53 2rml s VAL 34 CO 0.55 -0.01 0.11 0.41 -3.33 0.00 0.00 175.10 172.84 2rml n THR 35 N 4.62 1.61 -3.64 5.04 -1.04 0.20 -4.86 114.28 116.22 2rml n THR 35 Ca 0.09 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.05 61.60 2rml n THR 35 Cb 0.48 -1.83 -0.06 0.00 -1.82 0.00 0.00 70.33 67.11 2rml n THR 35 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2rml s ASP 36 N -6.98 -0.32 -0.01 8.00 2.15 -0.65 -5.02 116.67 113.84 2rml s ASP 36 Ca -0.29 0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.71 2rml s ASP 36 Cb 0.08 0.45 0.01 0.00 -0.30 0.00 0.00 42.92 43.16 2rml s ASP 36 CO 0.64 -0.70 0.00 0.00 -0.17 0.00 0.00 175.17 174.94 2rml s ALA 37 N -2.59 0.09 -0.14 3.66 0.00 -1.26 -0.76 121.76 120.76 2rml s ALA 37 Ca -0.05 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 2rml s ALA 37 Cb -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.07 2rml s ALA 37 CO -0.03 -0.02 0.09 -0.80 0.00 0.00 0.00 175.76 174.99 2rml s ASN 38 N 0.34 1.97 -0.55 0.00 0.01 -0.23 -4.92 114.94 111.56 2rml s ASN 38 Ca -0.03 -0.40 -0.11 0.00 -0.71 0.00 0.00 52.86 51.61 2rml s ASN 38 Cb -0.05 -0.18 0.14 0.00 0.41 0.00 0.00 41.25 41.57 2rml s ASN 38 CO -0.01 -0.32 0.45 -0.69 -1.51 0.00 0.00 177.10 175.02 2rml s VAL 39 N 2.16 4.66 -0.64 1.60 1.01 -1.26 -1.40 120.40 126.53 2rml s VAL 39 Ca 0.03 -1.87 -0.25 0.00 0.00 0.00 0.00 61.98 59.89 2rml s VAL 39 Cb -0.15 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.27 2rml s VAL 39 CO -0.07 -0.85 1.06 0.21 0.00 0.00 0.00 175.10 175.45 2rml s ASN 40 N 2.75 6.25 0.38 3.32 3.84 0.30 -4.84 114.94 126.94 2rml s ASN 40 Ca 0.07 -0.54 0.09 0.00 0.21 0.00 0.00 52.86 52.69 2rml s ASN 40 Cb -0.25 -2.47 0.83 0.00 -0.55 0.00 0.00 41.25 38.81 2rml s ASN 40 CO -0.01 -1.47 1.94 -0.07 -2.79 0.00 0.00 177.10 174.69 2rml h LEU 41 N 11.70 0.59 0.00 3.21 3.38 -1.94 -1.59 115.31 130.65 2rml h LEU 41 Ca -0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2rml h LEU 41 Cb 1.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2rml h LEU 41 CO 1.18 0.35 0.00 0.00 0.09 0.00 0.00 178.44 180.06 2rml n ALA 42 N -2.46 2.14 -2.03 1.53 0.00 -1.26 -1.25 120.51 117.17 2rml n ALA 42 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 2rml n ALA 42 Cb 0.34 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 2rml n ALA 42 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2rml n THR 43 N -0.70 0.00 -3.69 0.00 5.66 -1.14 -5.05 114.28 109.36 2rml n THR 43 Ca 0.06 -0.06 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 2rml n THR 43 Cb 0.03 0.25 -0.06 0.00 -1.55 0.00 0.00 70.33 68.99 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 0.03 -0.94 -4.84 1.09 2.13 -0.38 -4.94 120.64 112.78 2rml n GLU 44 Ca -0.05 0.06 -0.27 0.00 0.66 0.00 0.00 57.16 57.57 2rml n GLU 44 Cb 0.62 -2.47 -0.16 0.00 0.27 0.00 0.00 31.44 29.70 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 -3.76 1.46 -0.26 6.31 2.01 -0.67 -3.95 115.64 116.78 2rml s THR 45 Ca 0.06 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 2rml s THR 45 Cb -0.04 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2rml s THR 45 CO 0.67 0.42 0.46 -0.55 -0.69 0.00 0.00 174.62 174.93 2rml s SER 46 N 0.19 6.38 -0.16 3.53 0.15 0.38 -0.54 113.70 123.63 2rml s SER 46 Ca -0.08 0.45 -0.08 0.00 0.70 0.00 0.00 55.95 56.95 2rml s SER 46 Cb -0.13 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2rml s SER 46 CO 0.03 -0.24 0.10 0.20 1.20 0.00 0.00 173.24 174.53 2rml s ASN 47 N 1.53 5.97 0.00 5.45 0.01 -0.49 -0.86 114.94 126.55 2rml s ASN 47 Ca 0.19 0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.58 2rml s ASN 47 Cb -0.16 -1.99 -0.00 0.00 0.41 0.00 0.00 41.25 39.51 2rml s ASN 47 CO 0.09 0.25 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.23 2rml s VAL 48 N -0.09 0.12 -0.09 1.60 1.01 0.34 -1.06 120.40 122.23 2rml s VAL 48 Ca 0.08 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2rml s VAL 48 Cb -0.12 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.16 2rml s VAL 48 CO 0.01 -0.03 -0.09 -0.63 0.00 0.00 0.00 175.10 174.36 2rml s ILE 49 N -0.19 1.00 0.03 2.22 1.09 0.06 -1.43 121.20 123.98 2rml s ILE 49 Ca -0.01 -0.33 -0.02 0.00 -1.10 0.00 0.00 60.65 59.19 2rml s ILE 49 Cb -0.02 -0.98 -0.02 0.00 -1.06 0.00 0.00 42.46 40.38 2rml s ILE 49 CO -0.00 0.35 0.01 -0.72 -0.10 0.00 0.00 174.94 174.48 2rml s TYR 50 N 1.25 0.30 -0.20 3.97 1.13 -0.60 -0.63 117.35 122.57 2rml s TYR 50 Ca -0.04 -0.65 -0.27 0.00 -1.41 0.00 0.00 57.07 54.70 2rml s TYR 50 Cb -0.14 -0.22 -0.00 0.00 -1.10 0.00 0.00 41.96 40.50 2rml s TYR 50 CO -0.03 -0.30 0.94 0.34 -2.51 0.00 0.00 175.55 174.00 2rml s ASP 51 N -2.04 7.03 -1.53 -0.18 2.15 0.17 -1.48 116.67 120.80 2rml s ASP 51 Ca -0.07 1.28 -0.10 0.00 0.43 0.00 0.00 52.55 54.09 2rml s ASP 51 Cb -0.02 -2.50 -0.01 0.00 -0.30 0.00 0.00 42.92 40.08 2rml s ASP 51 CO -0.04 -0.55 2.67 -0.81 -0.17 0.00 0.00 175.17 176.27 2rml n PRO 52 N 5.84 3.70 0.00 4.34 -0.04 -1.26 -3.65 135.00 143.92 2rml n PRO 52 Ca 0.08 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 2rml n PRO 52 Cb 0.47 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 3.74 2.09 0.58 0.55 0.00 -1.26 -4.95 120.51 121.26 2rml n ALA 53 Ca 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.11 2rml n ALA 53 Cb 0.27 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.20 1.47 -3.58 0.00 -0.58 -1.24 -4.71 120.64 109.80 2rml n GLU 54 Ca 0.00 -0.61 -0.08 0.00 -0.42 0.00 0.00 57.16 56.05 2rml n GLU 54 Cb 0.00 -1.41 -0.04 0.00 -0.57 0.00 0.00 31.44 29.42 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 -0.94 0.00 0.22 2.62 2.01 -1.25 -1.28 115.64 117.02 2rml s THR 55 Ca 0.11 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 2rml s THR 55 Cb 0.09 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 2rml s THR 55 CO 0.03 0.00 0.24 -0.83 -0.69 0.00 0.00 174.62 173.36 2rml s GLY 56 N -1.47 1.25 0.30 4.40 0.00 -1.26 -4.60 107.32 105.94 2rml s GLY 56 Ca 0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.24 2rml s GLY 56 CO -0.03 -1.19 1.95 -0.91 0.00 0.00 0.00 173.10 172.92 2rml h THR 57 N 2.49 1.20 -0.66 0.90 1.35 -1.98 -2.18 112.91 114.03 2rml h THR 57 Ca -0.33 -0.46 0.03 0.00 -0.55 0.00 0.00 66.41 65.10 2rml h THR 57 Cb 1.25 0.18 -0.04 0.00 -1.73 0.00 0.00 68.15 67.82 2rml h THR 57 CO 0.47 0.22 0.44 0.00 -0.25 0.00 0.00 175.52 176.39 2rml h ALA 58 N 1.48 1.61 0.00 6.62 0.00 -1.98 -1.89 119.26 125.09 2rml h ALA 58 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2rml h ALA 58 Cb -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2rml h ALA 58 CO -0.05 0.33 -0.06 0.00 0.00 0.00 0.00 179.25 179.47 2rml h ALA 59 N 1.61 1.15 0.16 0.00 0.00 -1.80 -0.93 119.26 119.45 2rml h ALA 59 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2rml h ALA 59 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2rml h ALA 59 CO -0.07 0.08 -0.08 0.82 0.00 0.00 0.00 179.25 180.00 2rml h ILE 60 N 0.00 0.95 -0.38 0.00 2.04 -1.36 -2.42 117.51 116.33 2rml h ILE 60 Ca -0.00 -1.02 -0.09 0.00 1.00 0.00 0.00 64.86 64.75 2rml h ILE 60 Cb 0.30 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2rml h ILE 60 CO 0.01 0.22 -0.12 0.06 0.00 0.00 0.00 178.15 178.32 2rml h GLN 61 N -0.75 0.67 -0.36 2.37 3.07 -1.45 -1.18 115.11 117.48 2rml h GLN 61 Ca -0.02 -0.21 0.07 0.00 0.09 0.00 0.00 58.65 58.57 2rml h GLN 61 Cb 0.52 -0.06 -0.06 0.00 0.08 0.00 0.00 27.48 27.96 2rml h GLN 61 CO 0.04 0.77 -0.04 1.49 0.09 0.00 0.00 178.83 181.17 2rml h GLU 62 N 0.61 0.05 -0.20 0.06 4.81 -1.28 -1.58 114.58 117.05 2rml h GLU 62 Ca 0.11 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 2rml h GLU 62 Cb 0.56 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2rml h GLU 62 CO 0.03 0.03 -0.48 0.87 -0.73 0.00 0.00 179.01 178.73 2rml h LYS 63 N 0.05 0.54 -0.00 1.92 6.56 -0.85 -1.01 116.57 123.78 2rml h LYS 63 Ca 0.17 -0.31 -0.00 0.00 -1.06 0.00 0.00 60.65 59.45 2rml h LYS 63 Cb 0.25 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.94 2rml h LYS 63 CO -0.33 0.91 0.00 0.82 -2.06 0.00 0.00 179.45 178.79 2rml h ILE 64 N 0.43 1.16 -0.33 1.86 2.04 -1.06 -1.78 117.51 119.83 2rml h ILE 64 Ca 0.02 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2rml h ILE 64 Cb 1.01 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2rml h ILE 64 CO 0.09 0.12 0.16 -0.33 0.00 0.00 0.00 178.15 178.19 2rml h GLU 65 N -0.20 0.45 0.00 2.37 4.39 -1.31 -0.93 114.58 119.36 2rml h GLU 65 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2rml h GLU 65 Cb 0.20 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2rml h GLU 65 CO -0.00 0.36 0.00 1.63 -1.16 0.00 0.00 179.01 179.84 2rml n LYS 66 N -4.43 0.12 0.09 2.33 4.76 -0.39 -1.89 118.16 118.75 2rml n LYS 66 Ca 0.02 0.36 -0.16 0.00 -2.87 0.00 0.00 58.31 55.66 2rml n LYS 66 Cb 0.11 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 31.47 2rml n LYS 66 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2rml h LEU 67 N 0.00 0.55 0.00 -0.35 -0.00 -0.29 -3.49 115.31 111.73 2rml h LEU 67 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 2rml h LEU 67 Cb 0.31 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2rml h LEU 67 CO 0.00 1.36 0.00 0.61 -0.00 0.00 0.00 178.44 180.41 2rml n GLY 68 N 1.29 1.19 3.88 0.83 0.00 -0.80 -5.13 105.19 106.45 2rml n GLY 68 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2rml n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rml s TYR 69 N -2.00 3.44 -0.41 1.61 2.02 -1.24 -5.05 117.35 115.72 2rml s TYR 69 Ca 0.00 0.96 -0.23 0.00 -0.37 0.00 0.00 57.07 57.43 2rml s TYR 69 Cb 0.00 -2.35 0.02 0.00 -0.40 0.00 0.00 41.96 39.23 2rml s TYR 69 CO 0.00 0.08 0.80 -1.01 -1.57 0.00 0.00 175.55 173.85 2rml s HIS 70 N -2.10 3.04 0.00 2.71 3.76 -0.55 -4.13 115.29 118.02 2rml s HIS 70 Ca 0.50 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.79 2rml s HIS 70 Cb -0.11 -3.57 0.00 0.00 1.11 0.00 0.00 32.58 30.02 2rml s HIS 70 CO 0.26 -0.87 1.07 1.55 -0.85 0.00 0.00 174.74 175.90 2rml n VAL 71 N 6.00 1.07 0.00 -0.90 3.14 -1.26 -0.58 118.33 125.79 2rml n VAL 71 Ca 0.03 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2rml n VAL 71 Cb 0.48 -1.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 2rml n VAL 71 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2rml n VAL 72 N 0.93 0.00 -4.33 1.55 3.14 -1.26 -4.85 118.33 113.51 2rml n VAL 72 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 2rml n VAL 72 Cb 0.40 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.09 2rml n VAL 72 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2rml s THR 73 N 0.00 4.35 0.31 1.55 2.01 -1.26 -4.17 115.64 118.42 2rml s THR 73 Ca 0.00 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.83 2rml s THR 73 Cb 0.00 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 2rml s THR 73 CO 0.00 0.58 0.26 -0.70 -0.69 0.00 0.00 174.62 174.07 2rml s GLU 74 N -0.63 1.66 0.03 4.92 2.12 -0.18 -4.97 118.70 121.65 2rml s GLU 74 Ca 0.10 -1.93 -0.01 0.00 0.36 0.00 0.00 54.97 53.49 2rml s GLU 74 Cb -0.12 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 2rml s GLU 74 CO 0.02 -0.61 -0.02 -1.59 -0.54 0.00 0.00 175.26 172.52 2rml s LYS 75 N -3.56 0.38 0.03 4.30 -2.85 -1.26 -1.60 119.74 115.18 2rml s LYS 75 Ca 0.40 -0.71 0.01 0.00 -1.00 0.00 0.00 55.97 54.67 2rml s LYS 75 Cb 0.03 0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.91 2rml s LYS 75 CO 0.24 -0.07 -0.06 0.00 0.10 0.00 0.00 175.35 175.57 2rml s ALA 76 N -1.92 0.37 -0.27 0.59 0.00 -0.20 -4.99 121.76 115.33 2rml s ALA 76 Ca -0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2rml s ALA 76 Cb -0.06 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2rml s ALA 76 CO -0.03 -0.07 -0.03 -1.21 0.00 0.00 0.00 175.76 174.42 2rml s GLU 77 N -1.44 2.73 0.16 0.00 2.02 -1.26 -0.52 118.70 120.38 2rml s GLU 77 Ca -0.12 -1.06 -0.01 0.00 0.02 0.00 0.00 54.97 53.81 2rml s GLU 77 Cb -0.09 -3.08 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 2rml s GLU 77 CO -0.00 -0.47 0.34 -0.06 0.02 0.00 0.00 175.26 175.09 2rml s PHE 78 N 1.32 3.49 -0.22 1.61 0.40 -0.14 -2.00 117.98 122.42 2rml s PHE 78 Ca -0.01 0.33 -0.08 0.00 -0.60 0.00 0.00 56.93 56.56 2rml s PHE 78 Cb -0.18 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 2rml s PHE 78 CO -0.03 0.44 0.10 0.34 0.70 0.00 0.00 175.22 176.77 2rml s ASP 79 N -2.95 5.64 -0.79 1.36 -1.08 -0.25 -1.32 116.67 117.28 2rml s ASP 79 Ca 0.38 0.00 0.02 0.00 -0.52 0.00 0.00 52.55 52.43 2rml s ASP 79 Cb -0.12 -2.00 0.34 0.00 -1.46 0.00 0.00 42.92 39.68 2rml s ASP 79 CO 0.28 0.07 1.41 -0.38 0.52 0.00 0.00 175.17 177.07 2rml n ILE 80 N 4.22 4.43 -1.52 4.11 2.08 0.55 -1.50 119.36 131.72 2rml n ILE 80 Ca -0.16 -5.67 -0.38 0.00 0.56 0.00 0.00 62.75 57.10 2rml n ILE 80 Cb 0.52 -1.45 -0.09 0.00 -0.75 0.00 0.00 39.64 37.86 2rml n ILE 80 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2rml n GLU 81 N -0.19 0.50 0.00 0.38 1.02 -1.26 -0.76 120.64 120.32 2rml n GLU 81 Ca 0.40 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 2rml n GLU 81 Cb 0.34 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 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 6.26 1.31 3.64 0.62 0.00 -1.26 -4.21 105.19 111.56 2rml n GLY 82 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 3.85 0.00 1.61 -2.45 0.06 -4.84 119.30 117.53 2rml s MET 83 Ca 0.00 2.37 0.00 0.00 -1.25 0.00 0.00 55.69 56.81 2rml s MET 83 Cb 0.00 -4.20 0.00 0.00 1.25 0.00 0.00 34.83 31.88 2rml s MET 83 CO 0.00 -1.28 0.64 0.25 1.05 0.00 0.00 175.02 175.68 2rml n THR 84 N 6.19 0.00 0.00 10.11 -2.24 -1.26 -4.93 114.28 122.15 2rml n THR 84 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2rml n THR 84 Cb 0.42 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.00 2.77 -0.39 0.00 0.00 -1.98 0.72 119.26 120.39 2rml h ALA 86 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2rml h ALA 86 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2rml h ALA 86 CO 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 179.25 178.23 2rml h ALA 87 N 1.58 1.26 -0.26 0.00 0.00 -1.98 0.15 119.26 120.00 2rml h ALA 87 Ca 0.40 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 2rml h ALA 87 Cb 1.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2rml h ALA 87 CO -0.01 0.50 -0.44 0.00 0.00 0.00 0.00 179.25 179.29 2rml h ALA 89 N 0.97 -0.62 -0.77 0.00 0.00 -1.24 -3.24 119.26 114.35 2rml h ALA 89 Ca 0.04 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.94 2rml h ALA 89 Cb 0.98 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 2rml h ALA 89 CO 0.09 -0.75 0.19 -0.97 0.00 0.00 0.00 179.25 177.81 2rml h ASN 90 N -0.82 -0.00 -0.64 0.00 -1.24 -0.95 -0.08 115.58 111.84 2rml h ASN 90 Ca -0.06 0.16 0.13 0.00 0.71 0.00 0.00 56.30 57.24 2rml h ASN 90 Cb 0.56 0.22 -0.12 0.00 0.73 0.00 0.00 38.32 39.71 2rml h ASN 90 CO 0.10 -0.07 -0.13 0.03 -1.29 0.00 0.00 177.43 176.08 2rml h ARG 91 N 0.25 0.02 0.18 6.67 3.08 -1.28 -2.54 114.38 120.76 2rml h ARG 91 Ca 0.45 -0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.16 2rml h ARG 91 Cb 0.80 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.86 2rml h ARG 91 CO -0.55 0.01 -1.64 -0.84 -1.07 0.00 0.00 179.97 175.88 2rml h ILE 92 N 0.02 1.00 -0.34 2.04 3.07 -1.35 -3.40 117.51 118.55 2rml h ILE 92 Ca 0.31 -2.51 0.06 0.00 1.55 0.00 0.00 64.86 64.27 2rml h ILE 92 Cb 0.49 2.80 -0.08 0.00 -0.27 0.00 0.00 36.82 39.76 2rml h ILE 92 CO -0.64 0.83 -0.44 -0.08 -1.05 0.00 0.00 178.15 176.77 2rml h GLU 93 N 0.03 -0.36 0.00 0.16 4.22 -0.87 0.11 114.58 117.87 2rml h GLU 93 Ca -0.32 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.14 2rml h GLU 93 Cb 2.04 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.38 2rml h GLU 93 CO 0.17 -0.24 0.07 1.17 -2.18 0.00 0.00 179.01 178.00 2rml n LYS 94 N -5.42 0.09 -0.03 1.92 0.00 -0.97 -0.50 118.16 113.24 2rml n LYS 94 Ca -0.02 0.57 -0.04 0.00 0.00 0.00 0.00 58.31 58.82 2rml n LYS 94 Cb 0.35 -1.87 -0.05 0.00 0.00 0.00 0.00 35.03 33.47 2rml n LYS 94 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2rml n ARG 95 N -1.99 2.07 -0.27 1.64 0.00 -0.81 -4.60 116.66 112.71 2rml n ARG 95 Ca -0.01 0.01 -0.06 0.00 -0.00 0.00 0.00 57.85 57.80 2rml n ARG 95 Cb 0.09 -1.16 0.06 0.00 0.00 0.00 0.00 32.46 31.45 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2rml h LEU 96 N 0.00 0.93 -0.77 6.15 -0.00 0.34 -1.71 115.31 120.24 2rml h LEU 96 Ca -0.17 -0.11 0.17 0.00 -0.00 0.00 0.00 57.88 57.77 2rml h LEU 96 Cb 1.35 -0.24 -0.14 0.00 -0.00 0.00 0.00 40.66 41.63 2rml h LEU 96 CO -0.00 0.77 -0.11 -1.13 -0.00 0.00 0.00 178.44 177.97 2rml h ASN 97 N 1.02 -0.57 -2.44 -0.43 -0.73 -1.03 -3.33 115.58 108.07 2rml h ASN 97 Ca 0.26 0.22 -0.59 0.00 1.87 0.00 0.00 56.30 58.06 2rml h ASN 97 Cb 0.06 0.43 -0.39 0.00 0.27 0.00 0.00 38.32 38.69 2rml h ASN 97 CO -0.04 -0.23 -0.91 0.29 -0.37 0.00 0.00 177.43 176.17 2rml n LYS 98 N -5.45 0.67 0.00 6.67 4.01 -0.97 -4.53 118.16 118.56 2rml n LYS 98 Ca 0.12 -3.49 0.00 0.00 -0.51 0.00 0.00 58.31 54.43 2rml n LYS 98 Cb 0.44 -1.75 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2rml n ILE 99 N 2.38 0.00 -2.76 -0.18 5.41 -0.68 -4.79 119.36 118.74 2rml n ILE 99 Ca 0.27 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.95 2rml n ILE 99 Cb 0.46 -0.15 0.04 0.00 -0.71 0.00 0.00 39.64 39.28 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 0.73 0.00 0.38 4.07 -1.26 -4.89 120.64 119.67 2rml n GLU 100 Ca 0.00 -1.80 0.00 0.00 -0.06 0.00 0.00 57.16 55.30 2rml n GLU 100 Cb 0.00 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 29.91 2rml n GLU 100 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2rml n GLY 101 N 1.90 1.23 0.00 8.31 0.00 -1.19 -4.71 105.19 110.72 2rml n GLY 101 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2rml n GLY 101 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2rml n VAL 102 N 0.99 0.00 -0.06 1.61 0.24 -1.23 -4.97 118.33 114.91 2rml n VAL 102 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 2rml n VAL 102 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 2rml n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rml n ALA 103 N -0.54 1.89 -2.93 2.33 0.00 -0.33 -4.85 120.51 116.07 2rml n ALA 103 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 2rml n ALA 103 Cb 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 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 -6.26 0.07 -0.40 0.00 0.01 -0.62 -4.57 114.94 103.17 2rml s ASN 104 Ca -0.20 -0.34 0.10 0.00 -0.71 0.00 0.00 52.86 51.70 2rml s ASN 104 Cb 0.06 0.23 0.37 0.00 0.41 0.00 0.00 41.25 42.33 2rml s ASN 104 CO 0.27 -0.46 1.17 0.00 -1.51 0.00 0.00 177.10 176.57 2rml n ALA 105 N 1.04 0.98 -1.89 0.60 0.00 -1.26 -0.82 120.51 119.17 2rml n ALA 105 Ca -0.21 -1.80 -0.40 0.00 0.00 0.00 0.00 53.44 51.04 2rml n ALA 105 Cb 0.57 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.49 2.84 0.21 0.00 0.04 -1.21 -4.63 135.00 131.76 2rml s PRO 106 Ca 0.24 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 2rml s PRO 106 Cb 0.37 -4.35 -0.08 0.00 0.04 0.00 0.00 34.50 30.47 2rml s PRO 106 CO -0.06 -2.45 1.19 0.08 0.04 0.00 0.00 177.00 175.80 2rml s VAL 107 N 8.78 3.51 0.11 -0.36 1.01 -1.26 -3.58 120.40 128.61 2rml s VAL 107 Ca 0.81 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.92 2rml s VAL 107 Cb -0.19 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 2rml s VAL 107 CO 0.28 0.23 0.61 0.21 0.00 0.00 0.00 175.10 176.44 2rml s ASN 108 N -0.08 7.08 0.00 3.32 3.84 0.25 -4.99 114.94 124.37 2rml s ASN 108 Ca 0.51 1.31 0.10 0.00 0.21 0.00 0.00 52.86 54.99 2rml s ASN 108 Cb -0.33 -2.38 0.27 0.00 -0.55 0.00 0.00 41.25 38.26 2rml s ASN 108 CO 0.38 0.22 1.21 2.22 -2.79 0.00 0.00 177.10 178.34 2rml n PHE 109 N 1.49 0.39 0.00 0.43 1.16 -1.26 -4.10 117.46 115.57 2rml n PHE 109 Ca -0.08 -0.47 0.00 0.00 -1.87 0.00 0.00 57.45 55.03 2rml n PHE 109 Cb 0.51 -0.03 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 0.44 1.11 0.68 1.98 0.00 -1.26 -4.76 120.51 118.70 2rml n ALA 110 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2rml n ALA 110 Cb 0.40 0.03 0.16 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.67 0.63 -0.57 0.00 7.99 -1.26 -4.98 117.00 118.13 2rml n LEU 111 Ca 0.00 0.11 -0.07 0.00 -0.01 0.00 0.00 56.01 56.04 2rml n LEU 111 Cb 0.06 -0.18 -0.03 0.00 -0.11 0.00 0.00 43.42 43.16 2rml n LEU 111 CO 0.00 0.02 -0.07 -0.62 -1.51 0.00 0.00 177.39 175.20 2rml n GLU 112 N -1.92 -0.84 -3.23 3.23 1.02 -1.26 -4.99 120.64 112.67 2rml n GLU 112 Ca 0.04 0.69 -0.18 0.00 -0.02 0.00 0.00 57.16 57.68 2rml n GLU 112 Cb 0.41 -4.59 0.00 0.00 -0.02 0.00 0.00 31.44 27.25 2rml n GLU 112 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2rml s THR 113 N -2.12 3.37 -0.01 2.62 -4.23 -1.26 -0.33 115.64 113.68 2rml s THR 113 Ca 0.00 -1.03 -0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2rml s THR 113 Cb 0.00 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.71 2rml s THR 113 CO 0.00 -0.06 0.02 0.54 -0.54 0.00 0.00 174.62 174.58 2rml s VAL 114 N -2.29 -0.03 -0.35 2.29 0.11 -0.43 -0.58 120.40 119.11 2rml s VAL 114 Ca 0.51 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.53 2rml s VAL 114 Cb -0.09 -0.06 -0.01 0.00 -1.53 0.00 0.00 36.38 34.69 2rml s VAL 114 CO 0.32 0.05 0.32 -0.89 -3.33 0.00 0.00 175.10 171.56 2rml s THR 115 N 0.60 5.22 -0.11 5.04 2.01 -1.23 -0.97 115.64 126.20 2rml s THR 115 Ca -0.05 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2rml s THR 115 Cb -0.07 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2rml s THR 115 CO -0.02 -0.09 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.06 2rml s VAL 116 N 1.89 3.60 -0.08 3.82 1.01 0.32 -3.34 120.40 127.62 2rml s VAL 116 Ca 0.09 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2rml s VAL 116 Cb -0.17 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 2rml s VAL 116 CO 0.11 0.55 -0.23 -0.70 0.00 0.00 0.00 175.10 174.83 2rml s GLU 117 N -0.22 2.68 0.05 2.72 2.12 0.00 -1.03 118.70 125.02 2rml s GLU 117 Ca 0.03 -0.85 -0.24 0.00 0.36 0.00 0.00 54.97 54.27 2rml s GLU 117 Cb -0.13 -2.14 0.08 0.00 0.26 0.00 0.00 34.13 32.20 2rml s GLU 117 CO 0.03 0.26 1.12 0.98 -0.54 0.00 0.00 175.26 177.11 2rml n TYR 118 N 3.27 -0.72 -3.14 5.30 9.36 -0.63 -1.19 117.16 129.42 2rml n TYR 118 Ca -0.18 -0.87 -0.39 0.00 3.32 0.00 0.00 57.90 59.77 2rml n TYR 118 Cb 0.52 0.41 -0.05 0.00 -0.63 0.00 0.00 39.34 39.59 2rml n TYR 118 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2rml s ASN 119 N -3.55 6.80 -1.47 2.98 -0.87 -1.26 -1.01 114.94 116.56 2rml s ASN 119 Ca 0.26 0.97 -0.10 0.00 -1.57 0.00 0.00 52.86 52.42 2rml s ASN 119 Cb -0.01 -2.36 -0.08 0.00 -0.02 0.00 0.00 41.25 38.78 2rml s ASN 119 CO 0.02 -0.14 2.74 -0.81 -2.57 0.00 0.00 177.10 176.34 2rml n PRO 120 N 4.20 3.31 0.00 -0.60 -0.04 -1.26 -4.01 135.00 136.61 2rml n PRO 120 Ca -0.03 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 2rml n PRO 120 Cb 0.51 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 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 3.91 1.08 -3.69 0.54 4.76 -1.26 -5.12 118.16 118.38 2rml n LYS 121 Ca 0.70 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 56.04 2rml n LYS 121 Cb 0.22 -0.09 -0.05 0.00 -1.84 0.00 0.00 35.03 33.28 2rml n LYS 121 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2rml s GLU 122 N 0.00 1.11 0.17 1.97 0.41 -1.26 -5.11 118.70 115.99 2rml s GLU 122 Ca 0.00 -0.78 0.00 0.00 -0.41 0.00 0.00 54.97 53.78 2rml s GLU 122 Cb 0.00 0.46 0.00 0.00 -1.78 0.00 0.00 34.13 32.81 2rml s GLU 122 CO 0.00 -0.43 0.00 0.00 -0.49 0.00 0.00 175.26 174.34 2rml n ALA 123 N -0.23 -1.54 -2.23 5.21 0.00 -1.26 -5.00 120.51 115.46 2rml n ALA 123 Ca -0.14 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 2rml n ALA 123 Cb 0.63 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 2rml n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2rml s SER 124 N -5.03 0.73 0.58 0.00 0.15 -1.26 -5.04 113.70 103.83 2rml s SER 124 Ca 0.00 -1.30 0.28 0.00 0.70 0.00 0.00 55.95 55.62 2rml s SER 124 Cb 0.00 0.24 1.73 0.00 -1.71 0.00 0.00 66.02 66.27 2rml s SER 124 CO 0.00 -0.72 2.23 0.58 1.20 0.00 0.00 173.24 176.52 2rml h VAL 125 N 2.62 0.59 -0.86 4.45 2.07 -2.00 -1.57 116.25 121.55 2rml h VAL 125 Ca -0.37 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.22 2rml h VAL 125 Cb 1.23 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 2rml h VAL 125 CO 0.59 0.00 0.53 0.28 0.02 0.00 0.00 177.57 178.99 2rml h SER 126 N 0.00 0.82 -0.46 0.57 0.02 -1.98 -0.54 113.55 111.97 2rml h SER 126 Ca 0.01 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 2rml h SER 126 Cb 0.05 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2rml h SER 126 CO -0.00 0.52 -0.23 0.44 -1.14 0.00 0.00 176.83 176.41 2rml h ASP 127 N 0.95 1.02 -0.23 3.07 3.32 -1.70 -0.63 116.42 122.22 2rml h ASP 127 Ca 0.38 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2rml h ASP 127 Cb 0.20 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2rml h ASP 127 CO -0.18 1.19 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.39 2rml h LEU 128 N 0.85 0.46 -0.19 1.55 3.38 -1.54 -0.17 115.31 119.64 2rml h LEU 128 Ca 0.11 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2rml h LEU 128 Cb 0.81 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2rml h LEU 128 CO 0.07 0.73 -0.06 0.11 0.09 0.00 0.00 178.44 179.38 2rml h LYS 129 N 0.18 -0.01 0.00 1.13 1.79 -1.00 -1.14 116.57 117.52 2rml h LYS 129 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2rml h LYS 129 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2rml h LYS 129 CO 0.03 -0.01 0.00 0.39 -1.08 0.00 0.00 179.45 178.78 2rml n GLU 130 N -5.20 0.17 0.04 3.15 1.02 -0.25 -0.38 120.64 119.18 2rml n GLU 130 Ca -0.03 0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 2rml n GLU 130 Cb 0.13 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 29.75 2rml n GLU 130 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rml h ALA 131 N 2.66 -0.13 -0.00 0.62 0.00 -0.81 -3.35 119.26 118.25 2rml h ALA 131 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2rml h ALA 131 Cb 0.64 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2rml h ALA 131 CO 0.00 -0.33 -0.66 0.28 0.00 0.00 0.00 179.25 178.54 2rml h VAL 132 N -0.61 1.47 -0.83 0.00 2.07 -0.69 -2.86 116.25 114.80 2rml h VAL 132 Ca -0.01 -2.26 0.20 0.00 0.82 0.00 0.00 66.70 65.45 2rml h VAL 132 Cb 0.49 2.22 -0.14 0.00 -1.52 0.00 0.00 31.29 32.34 2rml h VAL 132 CO 0.02 0.65 0.09 -0.78 0.02 0.00 0.00 177.57 177.57 2rml h ASP 133 N 0.01 -0.24 1.16 0.57 3.58 -0.79 -2.14 116.42 118.56 2rml h ASP 133 Ca -0.01 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2rml h ASP 133 Cb 1.17 0.33 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2rml h ASP 133 CO 0.09 -0.19 0.00 0.50 -2.88 0.00 0.00 179.24 176.76 2rml h LYS 134 N 0.13 0.00 0.00 0.28 3.64 -1.64 -1.27 116.57 117.71 2rml h LYS 134 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 2rml h LYS 134 Cb 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2rml h LYS 134 CO -0.69 0.00 -0.77 1.28 -2.27 0.00 0.00 179.45 177.00 2rml n LEU 135 N -2.61 0.63 0.00 5.20 7.99 -0.85 -5.01 117.00 122.35 2rml n LEU 135 Ca 0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2rml n LEU 135 Cb 0.34 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2rml n LEU 135 CO 0.26 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.84 2rml n GLY 136 N 1.43 1.05 0.00 -0.72 0.00 -0.48 -5.05 105.19 101.43 2rml n GLY 136 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.89 0.00 -4.25 1.61 4.01 -1.07 -5.01 117.16 110.56 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 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 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 -3.91 -0.72 -0.00 -1.26 -3.72 118.16 109.00 2rml n LYS 138 Ca 0.00 -3.22 -0.29 0.00 -0.00 0.00 0.00 58.31 54.80 2rml n LYS 138 Cb 0.00 2.70 -0.16 0.00 -0.00 0.00 0.00 35.03 37.57 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 1.91 0.62 -5.58 1.43 -1.26 -4.60 118.68 111.20 2rml s LEU 139 Ca 0.38 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2rml s LEU 139 Cb 0.02 -1.01 0.06 0.00 0.03 0.00 0.00 46.19 45.28 2rml s LEU 139 CO 0.27 -0.20 0.88 -0.54 0.23 0.00 0.00 176.35 177.00 2rml s LYS 140 N 1.55 2.30 0.01 1.70 1.02 -0.56 -4.96 119.74 120.81 2rml s LYS 140 Ca -0.01 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.35 2rml s LYS 140 Cb -0.16 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 2rml s LYS 140 CO -0.07 -0.99 -0.09 -0.51 -0.92 0.00 0.00 175.35 172.77 2rml s LEU 141 N -4.97 2.09 -0.32 3.17 1.43 -1.26 -1.10 118.68 117.72 2rml s LEU 141 Ca 0.59 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 53.21 2rml s LEU 141 Cb -0.10 -0.40 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 2rml s LEU 141 CO 0.41 0.03 0.65 -0.75 0.23 0.00 0.00 176.35 176.92 2rml s LYS 142 N -0.62 3.86 0.00 1.70 2.47 -0.85 -0.71 119.74 125.59 2rml s LYS 142 Ca 0.01 0.28 0.00 0.00 -1.56 0.00 0.00 55.97 54.69 2rml s LYS 142 Cb -0.05 -3.74 0.00 0.00 -1.46 0.00 0.00 37.83 32.57 2rml s LYS 142 CO 0.00 -0.62 0.00 0.41 0.16 0.00 0.00 175.35 175.30 2rml n GLY 143 N 4.45 1.44 0.00 5.54 0.00 -0.71 -4.72 105.19 111.19 2rml n GLY 143 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2rml n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rml n GLU 144 N 0.00 0.83 0.10 1.61 -0.58 -1.25 -4.04 120.64 117.32 2rml n GLU 144 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2rml n GLU 144 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2rml n GLU 144 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2rml n GLN 145 N -1.02 0.00 0.16 3.49 6.02 -1.00 -4.84 117.38 120.19 2rml n GLN 145 Ca 0.20 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 2rml n GLN 145 Cb 0.10 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.46 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 0.00 0.00 1.08 3.58 -1.15 -3.47 116.42 116.46 2rml h ASP 146 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2rml h ASP 146 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2rml h ASP 146 CO 0.00 0.00 0.00 -0.24 -2.88 0.00 0.00 179.24 176.12