#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 -2.83 4.03 4.77 -1.26 -5.14 117.00 116.57 2rml n LEU 2 Ca 0.00 -2.16 -0.11 0.00 -0.03 0.00 0.00 56.01 53.71 2rml n LEU 2 Cb 0.00 0.89 0.03 0.00 -2.33 0.00 0.00 43.42 42.01 2rml n LEU 2 CO 0.00 -0.34 0.12 -1.20 -1.33 0.00 0.00 177.39 174.64 2rml n SER 3 N -1.86 -2.26 -0.81 -1.43 7.64 -1.26 -5.00 113.62 108.63 2rml n SER 3 Ca -0.00 -3.24 -0.05 0.00 1.01 0.00 0.00 58.87 56.60 2rml n SER 3 Cb 0.42 1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 64.96 2rml n SER 3 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2rml n GLU 4 N 1.46 0.00 -2.59 1.43 0.28 -1.26 -5.13 120.64 114.82 2rml n GLU 4 Ca 0.11 -0.66 -0.31 0.00 -0.16 0.00 0.00 57.16 56.15 2rml n GLU 4 Cb 0.62 0.37 -0.03 0.00 1.43 0.00 0.00 31.44 33.83 2rml n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2rml s GLN 5 N 0.00 3.82 0.32 3.44 -0.21 -1.26 -4.82 119.66 120.94 2rml s GLN 5 Ca 0.00 0.66 0.07 0.00 0.02 0.00 0.00 55.36 56.11 2rml s GLN 5 Cb 0.00 -2.27 -0.02 0.00 1.00 0.00 0.00 33.01 31.72 2rml s GLN 5 CO 0.00 -0.17 0.35 0.15 -2.12 0.00 0.00 175.29 173.50 2rml s LYS 6 N -4.08 2.95 -0.01 2.91 3.01 -0.50 -4.92 119.74 119.11 2rml s LYS 6 Ca 0.54 -1.12 0.03 0.00 -1.01 0.00 0.00 55.97 54.41 2rml s LYS 6 Cb -0.10 -2.65 -0.00 0.00 -1.01 0.00 0.00 37.83 34.07 2rml s LYS 6 CO 0.34 0.15 -0.09 -1.83 0.51 0.00 0.00 175.35 174.42 2rml s GLU 7 N -4.04 0.76 -0.02 1.68 -1.05 -1.26 -1.16 118.70 113.60 2rml s GLU 7 Ca 0.41 -0.31 -0.29 0.00 -0.15 0.00 0.00 54.97 54.63 2rml s GLU 7 Cb -0.08 -0.73 0.08 0.00 -0.44 0.00 0.00 34.13 32.96 2rml s GLU 7 CO 0.28 0.18 0.73 -1.50 0.95 0.00 0.00 175.26 175.89 2rml s ILE 8 N -0.13 0.00 -0.02 1.83 1.10 -0.83 -4.75 121.20 118.41 2rml s ILE 8 Ca 0.02 0.00 -0.17 0.00 -0.51 0.00 0.00 60.65 59.99 2rml s ILE 8 Cb -0.04 -1.00 0.03 0.00 0.15 0.00 0.00 42.46 41.60 2rml s ILE 8 CO -0.00 0.00 0.36 0.00 -2.11 0.00 0.00 174.94 173.19 2rml s ALA 9 N -1.85 -0.92 -0.07 1.50 0.00 -1.26 -0.40 121.76 118.75 2rml s ALA 9 Ca -0.06 0.47 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 2rml s ALA 9 Cb -0.00 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.22 2rml s ALA 9 CO 0.03 -0.28 0.36 -1.64 0.00 0.00 0.00 175.76 174.23 2rml s MET 10 N -1.31 0.60 0.50 0.00 -1.94 -0.35 -2.44 119.30 114.36 2rml s MET 10 Ca -0.13 0.13 -0.22 0.00 -1.71 0.00 0.00 55.69 53.76 2rml s MET 10 Cb -0.04 0.28 -0.06 0.00 2.01 0.00 0.00 34.83 37.01 2rml s MET 10 CO 0.05 -0.14 1.17 -0.65 -0.01 0.00 0.00 175.02 175.45 2rml s GLN 11 N -0.70 3.53 0.33 2.03 -0.21 -1.26 -0.76 119.66 122.63 2rml s GLN 11 Ca -0.08 1.77 0.06 0.00 0.02 0.00 0.00 55.36 57.14 2rml s GLN 11 Cb -0.04 -2.25 -0.07 0.00 1.00 0.00 0.00 33.01 31.66 2rml s GLN 11 CO 0.03 -0.74 -0.02 0.54 -2.12 0.00 0.00 175.29 172.99 2rml s VAL 12 N -1.59 1.70 -0.16 1.09 0.11 0.00 -3.69 120.40 117.87 2rml s VAL 12 Ca 0.68 -2.08 0.02 0.00 -2.93 0.00 0.00 61.98 57.67 2rml s VAL 12 Cb -0.28 -2.70 0.01 0.00 -1.53 0.00 0.00 36.38 31.88 2rml s VAL 12 CO 0.33 -0.14 -0.21 -0.55 -3.33 0.00 0.00 175.10 171.21 2rml s SER 13 N -3.54 3.12 0.00 3.54 0.15 0.76 -4.80 113.70 112.92 2rml s SER 13 Ca 0.33 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2rml s SER 13 Cb 0.06 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 2rml s SER 13 CO 0.15 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2rml n GLY 14 N 4.34 1.40 1.15 9.45 0.00 -1.26 -1.46 105.19 118.80 2rml n GLY 14 Ca -0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.01 2.45 -1.98 1.61 2.00 -1.26 -4.70 117.12 115.22 2rml n MET 15 Ca 0.00 -2.24 -0.25 0.00 0.00 0.00 0.00 57.70 55.21 2rml n MET 15 Cb 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 33.22 31.66 2rml n MET 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2rml s THR 16 N -1.23 3.43 0.00 2.03 2.01 -1.26 -2.52 115.64 118.10 2rml s THR 16 Ca 0.42 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.80 2rml s THR 16 Cb 0.22 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.47 2rml s THR 16 CO 0.29 -0.82 0.00 0.00 -0.69 0.00 0.00 174.62 173.40 2rml n ALA 18 N 0.00 0.00 0.34 0.00 0.00 -1.05 -4.51 120.51 115.29 2rml n ALA 18 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2rml n ALA 18 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.06 2rml n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 19 N 0.00 1.00 -0.99 0.00 0.00 -1.98 0.34 119.26 117.63 2rml h ALA 19 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 2rml h ALA 19 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 2rml h ALA 19 CO 0.00 0.00 0.62 0.00 0.00 0.00 0.00 179.25 179.87 2rml h ALA 21 N 1.59 0.72 -0.56 0.00 0.00 -1.25 0.52 119.26 120.27 2rml h ALA 21 Ca 0.53 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.36 2rml h ALA 21 Cb 0.71 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2rml h ALA 21 CO -0.31 0.34 0.38 0.00 0.00 0.00 0.00 179.25 179.66 2rml h ALA 22 N 1.07 1.95 -0.22 0.00 0.00 -1.52 0.26 119.26 120.79 2rml h ALA 22 Ca 0.18 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 2rml h ALA 22 Cb 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2rml h ALA 22 CO -0.01 -0.07 -0.67 0.00 0.00 0.00 0.00 179.25 178.50 2rml h ARG 23 N 0.44 0.84 0.16 0.00 2.47 -0.90 -2.92 114.38 114.47 2rml h ARG 23 Ca 0.25 -0.61 -0.01 0.00 -1.26 0.00 0.00 59.98 58.36 2rml h ARG 23 Cb 0.43 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2rml h ARG 23 CO -0.07 1.23 -0.08 0.82 0.56 0.00 0.00 179.97 182.43 2rml h ILE 24 N 0.60 0.95 -0.69 2.04 1.08 0.11 -2.13 117.51 119.47 2rml h ILE 24 Ca -0.02 -0.94 0.01 0.00 -0.39 0.00 0.00 64.86 63.51 2rml h ILE 24 Cb 1.29 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 36.49 2rml h ILE 24 CO 0.14 0.20 0.45 -0.33 -0.69 0.00 0.00 178.15 177.93 2rml h GLU 25 N -0.71 0.91 -0.02 2.37 5.08 -0.69 -0.77 114.58 120.74 2rml h GLU 25 Ca -0.02 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2rml h GLU 25 Cb 0.50 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2rml h GLU 25 CO 0.04 0.60 -0.47 1.57 -1.00 0.00 0.00 179.01 179.75 2rml h LYS 26 N 0.93 0.06 -0.38 2.33 2.10 -1.61 0.14 116.57 120.13 2rml h LYS 26 Ca 0.25 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.76 2rml h LYS 26 Cb -0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 2rml h LYS 26 CO -0.05 0.52 -0.20 0.78 -2.00 0.00 0.00 179.45 178.50 2rml h GLY 27 N 1.39 0.80 0.42 0.07 0.00 -0.62 -1.91 103.07 103.23 2rml h GLY 27 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 2rml h GLY 27 CO 0.06 0.61 -0.20 1.41 0.00 0.00 0.00 176.54 178.42 2rml h LEU 28 N 0.65 -0.48 -1.78 3.11 3.38 -1.08 -3.35 115.31 115.77 2rml h LEU 28 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2rml h LEU 28 Cb 0.69 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2rml h LEU 28 CO 0.05 -0.05 0.13 0.50 0.09 0.00 0.00 178.44 179.16 2rml h LYS 29 N -1.15 0.00 -0.69 1.13 3.11 -1.00 -2.40 116.57 115.57 2rml h LYS 29 Ca -0.06 0.00 0.14 0.00 -2.81 0.00 0.00 60.65 57.92 2rml h LYS 29 Cb 0.43 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.56 2rml h LYS 29 CO 0.10 0.00 0.17 0.00 -2.81 0.00 0.00 179.45 176.90 2rml h ARG 30 N 0.00 0.27 -5.93 1.90 2.47 -1.48 -3.44 114.38 108.17 2rml h ARG 30 Ca 0.00 -0.02 -0.66 0.00 -1.26 0.00 0.00 59.98 58.04 2rml h ARG 30 Cb 0.26 -0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.41 2rml h ARG 30 CO 0.00 0.18 -0.56 0.00 0.56 0.00 0.00 179.97 180.14 2rml s MET 31 N -6.07 3.13 0.00 0.04 0.23 -0.90 -5.00 119.30 110.73 2rml s MET 31 Ca -0.13 -0.41 0.06 0.00 -1.03 0.00 0.00 55.69 54.19 2rml s MET 31 Cb 0.20 -2.91 0.30 0.00 -1.53 0.00 0.00 34.83 30.89 2rml s MET 31 CO 0.75 0.68 1.11 -0.35 -2.03 0.00 0.00 175.02 175.18 2rml n PRO 32 N 1.46 0.05 0.02 3.16 -0.04 -1.26 -1.69 135.00 136.70 2rml n PRO 32 Ca -0.15 0.29 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 2rml n PRO 32 Cb 0.53 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.75 2rml n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rml n GLY 33 N -0.79 -0.89 3.43 0.55 0.00 -1.24 -4.63 105.19 101.62 2rml n GLY 33 Ca 0.02 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.06 2.38 -0.22 1.61 0.11 -0.68 -1.00 120.40 119.54 2rml s VAL 34 Ca 0.04 -2.08 -0.07 0.00 -2.93 0.00 0.00 61.98 56.95 2rml s VAL 34 Cb 0.07 -2.16 -0.11 0.00 -1.53 0.00 0.00 36.38 32.65 2rml s VAL 34 CO 0.21 -0.15 -0.25 1.07 -3.33 0.00 0.00 175.10 172.64 2rml n THR 35 N 0.15 1.22 -3.81 5.04 5.66 -0.42 -4.76 114.28 117.36 2rml n THR 35 Ca -0.12 -0.37 -0.13 0.00 -3.05 0.00 0.00 64.05 60.39 2rml n THR 35 Cb 0.56 -1.60 -0.14 0.00 -1.55 0.00 0.00 70.33 67.61 2rml n THR 35 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2rml s ASP 36 N -6.66 -0.07 -0.05 1.09 1.11 -0.63 -4.99 116.67 106.48 2rml s ASP 36 Ca -0.30 0.18 0.04 0.00 0.18 0.00 0.00 52.55 52.65 2rml s ASP 36 Cb 0.10 0.14 -0.00 0.00 1.07 0.00 0.00 42.92 44.23 2rml s ASP 36 CO 0.43 -0.07 -0.17 0.00 1.18 0.00 0.00 175.17 176.53 2rml s ALA 37 N 0.48 1.56 -0.24 5.23 0.00 -1.26 -0.95 121.76 126.58 2rml s ALA 37 Ca -0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 2rml s ALA 37 Cb -0.05 -0.54 0.11 0.00 0.00 0.00 0.00 23.12 22.64 2rml s ALA 37 CO -0.02 0.26 0.22 -0.80 0.00 0.00 0.00 175.76 175.43 2rml s ASN 38 N 0.12 1.88 0.27 0.00 0.01 0.09 -4.97 114.94 112.33 2rml s ASN 38 Ca -0.06 -0.59 -0.29 0.00 -0.71 0.00 0.00 52.86 51.21 2rml s ASN 38 Cb -0.12 0.27 -0.09 0.00 0.41 0.00 0.00 41.25 41.71 2rml s ASN 38 CO 0.03 -0.37 1.19 0.54 -1.51 0.00 0.00 177.10 176.98 2rml s VAL 39 N 2.29 3.28 -0.75 1.60 0.11 -1.26 -1.22 120.40 124.45 2rml s VAL 39 Ca 0.08 1.23 -0.10 0.00 -2.93 0.00 0.00 61.98 60.25 2rml s VAL 39 Cb -0.15 -3.78 0.20 0.00 -1.53 0.00 0.00 36.38 31.11 2rml s VAL 39 CO -0.23 0.27 0.65 0.21 -3.33 0.00 0.00 175.10 172.67 2rml s ASN 40 N -0.49 6.21 0.15 3.54 3.84 0.45 -4.94 114.94 123.70 2rml s ASN 40 Ca 0.48 -2.73 -0.12 0.00 0.21 0.00 0.00 52.86 50.70 2rml s ASN 40 Cb -0.34 -2.08 0.02 0.00 -0.55 0.00 0.00 41.25 38.29 2rml s ASN 40 CO 0.43 -0.51 1.61 0.25 -2.79 0.00 0.00 177.10 176.09 2rml h LEU 41 N 7.54 0.85 -0.97 3.21 5.85 -1.95 -2.27 115.31 127.56 2rml h LEU 41 Ca 0.05 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2rml h LEU 41 Cb 1.01 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2rml h LEU 41 CO 0.75 0.93 0.00 0.00 -0.34 0.00 0.00 178.44 179.78 2rml n ALA 42 N -2.43 1.09 -0.02 1.25 0.00 -1.26 -1.46 120.51 117.69 2rml n ALA 42 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2rml n ALA 42 Cb 0.30 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.04 0.00 -2.74 0.00 5.66 -1.21 -5.05 114.28 108.90 2rml n THR 43 Ca -0.01 -0.45 -0.05 0.00 -3.05 0.00 0.00 64.05 60.49 2rml n THR 43 Cb 0.04 1.02 0.02 0.00 -1.55 0.00 0.00 70.33 69.86 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 -0.74 -1.80 -4.64 1.09 2.13 -0.53 -4.94 120.64 111.21 2rml n GLU 44 Ca 0.00 0.19 -0.34 0.00 0.66 0.00 0.00 57.16 57.67 2rml n GLU 44 Cb 0.00 -3.28 -0.11 0.00 0.27 0.00 0.00 31.44 28.32 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 -3.06 3.66 -0.12 6.31 2.01 -0.88 -0.82 115.64 122.74 2rml s THR 45 Ca 0.13 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 2rml s THR 45 Cb -0.06 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 2rml s THR 45 CO 0.16 0.59 -0.03 -0.55 -0.69 0.00 0.00 174.62 174.11 2rml s SER 46 N -0.82 4.94 -0.06 3.53 0.15 0.06 -0.42 113.70 121.08 2rml s SER 46 Ca 0.12 -0.02 0.05 0.00 0.70 0.00 0.00 55.95 56.80 2rml s SER 46 Cb -0.11 -1.59 -0.00 0.00 -1.71 0.00 0.00 66.02 62.61 2rml s SER 46 CO 0.02 0.27 -0.20 0.20 1.20 0.00 0.00 173.24 174.72 2rml s ASN 47 N -0.21 2.57 0.04 5.45 0.01 -0.36 -1.21 114.94 121.22 2rml s ASN 47 Ca 0.04 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.76 2rml s ASN 47 Cb -0.13 -0.82 -0.03 0.00 0.41 0.00 0.00 41.25 40.68 2rml s ASN 47 CO 0.02 0.17 -0.04 0.68 -1.51 0.00 0.00 177.10 176.42 2rml s VAL 48 N 0.07 0.27 -0.13 1.60 -7.23 0.46 -0.73 120.40 114.71 2rml s VAL 48 Ca -0.07 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 2rml s VAL 48 Cb -0.14 -0.76 0.02 0.00 0.56 0.00 0.00 36.38 36.06 2rml s VAL 48 CO 0.04 -0.63 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.39 2rml s ILE 49 N -2.24 1.71 0.07 -0.62 1.09 -0.13 -1.96 121.20 119.12 2rml s ILE 49 Ca -0.07 -0.75 0.01 0.00 -1.10 0.00 0.00 60.65 58.74 2rml s ILE 49 Cb -0.04 -1.55 -0.04 0.00 -1.06 0.00 0.00 42.46 39.77 2rml s ILE 49 CO -0.03 0.48 -0.05 -0.72 -0.10 0.00 0.00 174.94 174.52 2rml s TYR 50 N 1.08 0.68 -0.22 3.97 1.13 -0.31 -1.30 117.35 122.39 2rml s TYR 50 Ca -0.03 -0.93 -0.16 0.00 -1.41 0.00 0.00 57.07 54.55 2rml s TYR 50 Cb -0.14 -0.43 -0.04 0.00 -1.10 0.00 0.00 41.96 40.24 2rml s TYR 50 CO -0.05 -0.24 0.40 0.34 -2.51 0.00 0.00 175.55 173.49 2rml s ASP 51 N -2.78 6.41 0.00 -0.18 2.15 -0.17 -1.41 116.67 120.69 2rml s ASP 51 Ca 0.06 0.48 0.23 0.00 0.43 0.00 0.00 52.55 53.75 2rml s ASP 51 Cb 0.04 -2.23 1.34 0.00 -0.30 0.00 0.00 42.92 41.78 2rml s ASP 51 CO -0.06 -0.10 1.83 -0.81 -0.17 0.00 0.00 175.17 175.85 2rml n PRO 52 N 4.67 0.94 -0.00 4.34 -0.04 -1.26 -3.84 135.00 139.80 2rml n PRO 52 Ca -0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2rml n PRO 52 Cb 0.51 -1.37 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.87 1.99 0.84 0.55 0.00 -1.26 -4.65 120.51 117.11 2rml n ALA 53 Ca 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.62 2rml n ALA 53 Cb 0.08 0.33 0.13 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.18 1.91 -0.47 0.00 -0.58 -1.25 -4.93 120.64 113.14 2rml n GLU 54 Ca -0.01 -1.01 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 2rml n GLU 54 Cb 0.51 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 2rml n GLU 54 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2rml n THR 55 N 0.25 0.00 -4.44 2.62 5.66 -1.25 -3.65 114.28 113.48 2rml n THR 55 Ca 0.09 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.85 2rml n THR 55 Cb 0.36 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.06 2rml n THR 55 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2rml s GLY 56 N -0.55 2.55 -0.00 1.09 0.00 -1.26 -4.89 107.32 104.26 2rml s GLY 56 Ca 0.00 -1.48 -0.17 0.00 0.00 0.00 0.00 44.72 43.07 2rml s GLY 56 CO 0.00 -1.71 0.87 -0.84 0.00 0.00 0.00 173.10 171.42 2rml h THR 57 N 1.89 0.00 0.00 0.90 2.02 -1.96 -3.26 112.91 112.49 2rml h THR 57 Ca -0.31 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 2rml h THR 57 Cb 1.26 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2rml h THR 57 CO 0.49 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 176.33 2rml h ALA 58 N -1.46 1.18 -0.75 6.16 0.00 -2.00 -2.67 119.26 119.73 2rml h ALA 58 Ca -0.06 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.03 2rml h ALA 58 Cb 0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2rml h ALA 58 CO 0.10 0.06 0.56 0.00 0.00 0.00 0.00 179.25 179.97 2rml h ALA 59 N 1.95 2.68 0.13 0.00 0.00 -1.98 -0.40 119.26 121.64 2rml h ALA 59 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 59 Cb 0.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2rml h ALA 59 CO 0.01 -0.95 -0.06 0.82 0.00 0.00 0.00 179.25 179.07 2rml h ILE 60 N 0.00 1.01 -0.04 0.00 2.04 -1.62 -1.09 117.51 117.81 2rml h ILE 60 Ca 0.36 -0.60 -0.12 0.00 1.00 0.00 0.00 64.86 65.49 2rml h ILE 60 Cb 1.48 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2rml h ILE 60 CO -0.00 0.14 -0.52 0.06 0.00 0.00 0.00 178.15 177.83 2rml h GLN 61 N -0.46 0.11 -0.27 2.37 3.07 -1.59 -2.65 115.11 115.69 2rml h GLN 61 Ca -0.02 -0.07 0.05 0.00 0.09 0.00 0.00 58.65 58.71 2rml h GLN 61 Cb 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.88 2rml h GLN 61 CO 0.03 0.60 -0.05 1.49 0.09 0.00 0.00 178.83 180.99 2rml h GLU 62 N 0.09 0.02 0.00 0.06 4.22 -1.01 0.29 114.58 118.25 2rml h GLU 62 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2rml h GLU 62 Cb 0.94 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2rml h GLU 62 CO 0.07 0.01 0.00 -0.22 -2.18 0.00 0.00 179.01 176.70 2rml h LYS 63 N 0.02 0.00 0.13 1.92 1.63 -1.10 -1.64 116.57 117.53 2rml h LYS 63 Ca 0.13 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2rml h LYS 63 Cb 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2rml h LYS 63 CO -0.26 0.00 -0.06 0.82 -3.45 0.00 0.00 179.45 176.50 2rml h ILE 64 N 0.00 1.03 -0.49 2.00 2.04 -1.08 -3.35 117.51 117.65 2rml h ILE 64 Ca 0.00 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.76 2rml h ILE 64 Cb 0.68 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 2rml h ILE 64 CO 0.00 0.25 0.33 -0.33 0.00 0.00 0.00 178.15 178.39 2rml h GLU 65 N -0.75 0.60 0.00 2.37 4.39 -0.81 -2.28 114.58 118.09 2rml h GLU 65 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2rml h GLU 65 Cb 0.54 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2rml h GLU 65 CO 0.03 0.39 0.00 0.87 -1.16 0.00 0.00 179.01 179.14 2rml h LYS 66 N 0.61 0.00 0.00 2.33 6.56 -1.43 -1.27 116.57 123.37 2rml h LYS 66 Ca 0.19 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.72 2rml h LYS 66 Cb 0.01 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 2rml h LYS 66 CO -0.04 0.00 -0.30 -0.07 -2.06 0.00 0.00 179.45 176.98 2rml h LEU 67 N 0.00 0.00 0.00 2.94 -0.00 -1.57 -3.48 115.31 113.20 2rml h LEU 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2rml h LEU 67 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2rml h LEU 67 CO 0.00 0.30 0.00 0.61 -0.00 0.00 0.00 178.44 179.35 2rml n GLY 68 N 0.51 1.02 0.00 0.83 0.00 -0.48 -5.12 105.19 101.95 2rml n GLY 68 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2rml n GLY 68 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rml n TYR 69 N -1.85 -0.03 -3.82 1.61 4.01 -1.26 -5.11 117.16 110.70 2rml n TYR 69 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 2rml n TYR 69 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 2rml n TYR 69 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2rml s HIS 70 N 0.68 -0.15 0.38 -0.72 3.76 -0.54 -4.77 115.29 113.92 2rml s HIS 70 Ca 0.00 0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 55.03 2rml s HIS 70 Cb 0.00 0.05 -0.09 0.00 1.11 0.00 0.00 32.58 33.64 2rml s HIS 70 CO 0.00 -0.08 1.01 0.14 -0.85 0.00 0.00 174.74 174.95 2rml s VAL 71 N 0.02 3.95 -1.00 -0.90 -7.23 -1.26 -0.17 120.40 113.80 2rml s VAL 71 Ca -0.01 1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 61.65 2rml s VAL 71 Cb -0.01 -3.78 0.32 0.00 0.56 0.00 0.00 36.38 33.47 2rml s VAL 71 CO 0.00 0.02 1.68 1.33 -0.31 0.00 0.00 175.10 177.82 2rml n VAL 72 N 0.08 5.69 -3.90 1.32 0.24 -1.24 -4.85 118.33 115.67 2rml n VAL 72 Ca 0.04 -5.94 -0.25 0.00 -2.04 0.00 0.00 64.34 56.15 2rml n VAL 72 Cb 0.50 -1.66 -0.03 0.00 -1.47 0.00 0.00 33.84 31.18 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2rml s THR 73 N -3.99 5.29 0.00 3.34 -4.23 -1.26 -4.17 115.64 110.63 2rml s THR 73 Ca 0.38 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 2rml s THR 73 Cb 0.17 -3.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 2rml s THR 73 CO -0.08 -0.16 -0.05 -0.70 -0.54 0.00 0.00 174.62 173.09 2rml s GLU 74 N -3.42 0.38 -1.14 3.99 2.12 0.14 -4.96 118.70 115.83 2rml s GLU 74 Ca 0.35 -0.23 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 2rml s GLU 74 Cb -0.11 -0.34 0.25 0.00 0.26 0.00 0.00 34.13 34.19 2rml s GLU 74 CO 0.29 0.09 1.97 0.36 -0.54 0.00 0.00 175.26 177.43 2rml n LYS 75 N 2.79 5.02 -2.20 4.30 2.85 -1.25 -1.57 118.16 128.10 2rml n LYS 75 Ca -0.14 -4.23 -0.41 0.00 -1.05 0.00 0.00 58.31 52.48 2rml n LYS 75 Cb 0.58 -2.54 -0.03 0.00 -0.65 0.00 0.00 35.03 32.39 2rml n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2rml s ALA 76 N -2.99 3.51 -0.34 0.58 0.00 0.51 -4.56 121.76 118.46 2rml s ALA 76 Ca 0.43 1.14 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 2rml s ALA 76 Cb 0.17 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 2rml s ALA 76 CO -0.09 -0.54 0.39 -1.21 0.00 0.00 0.00 175.76 174.31 2rml s GLU 77 N -0.77 3.57 0.15 0.00 2.02 -1.26 -0.24 118.70 122.18 2rml s GLU 77 Ca 0.53 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 55.17 2rml s GLU 77 Cb -0.37 -3.81 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 2rml s GLU 77 CO 0.43 -0.54 0.29 -0.06 0.02 0.00 0.00 175.26 175.40 2rml s PHE 78 N 2.08 3.49 -0.12 1.61 0.40 -0.53 -2.97 117.98 121.93 2rml s PHE 78 Ca 0.13 0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 56.57 2rml s PHE 78 Cb -0.16 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 2rml s PHE 78 CO 0.12 0.50 -0.05 0.34 0.70 0.00 0.00 175.22 176.83 2rml s ASP 79 N -3.23 4.74 -0.44 1.36 -1.08 -0.54 -0.81 116.67 116.68 2rml s ASP 79 Ca 0.35 -0.08 0.07 0.00 -0.52 0.00 0.00 52.55 52.36 2rml s ASP 79 Cb -0.11 -1.56 0.42 0.00 -1.46 0.00 0.00 42.92 40.20 2rml s ASP 79 CO 0.29 0.25 1.07 -0.38 0.52 0.00 0.00 175.17 176.91 2rml n ILE 80 N 3.01 2.24 -1.69 4.11 -0.00 0.13 -0.93 119.36 126.23 2rml n ILE 80 Ca -0.18 -4.77 -0.60 0.00 -0.00 0.00 0.00 62.75 57.20 2rml n ILE 80 Cb 0.53 -1.04 -0.08 0.00 -0.00 0.00 0.00 39.64 39.05 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 -0.40 0.83 0.00 0.38 1.02 -1.26 -1.92 120.64 119.30 2rml n GLU 81 Ca 0.34 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 2rml n GLU 81 Cb 0.65 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 4.42 1.43 1.64 0.62 0.00 -1.26 -4.01 105.19 108.03 2rml n GLY 82 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 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 1.25 0.00 1.61 0.00 -0.81 -4.79 117.12 114.39 2rml n MET 83 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 57.70 57.43 2rml n MET 83 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 33.22 31.94 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 1.78 0.52 -3.76 3.17 -2.24 -1.26 -4.35 114.28 108.14 2rml n THR 84 Ca 0.11 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 2rml n THR 84 Cb 0.60 -0.75 -0.09 0.00 -2.10 0.00 0.00 70.33 68.00 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 4.14 2.21 -0.91 0.00 0.00 -1.97 -0.17 119.26 122.57 2rml h ALA 86 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2rml h ALA 86 Cb 1.18 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2rml h ALA 86 CO 0.38 -0.32 0.58 0.00 0.00 0.00 0.00 179.25 179.89 2rml h ALA 87 N 1.78 1.31 -0.23 0.00 0.00 -1.96 -1.88 119.26 118.27 2rml h ALA 87 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2rml h ALA 87 Cb 0.61 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2rml h ALA 87 CO -0.03 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.81 2rml h ALA 89 N 0.77 -0.43 -0.71 0.00 0.00 -1.42 -2.20 119.26 115.28 2rml h ALA 89 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2rml h ALA 89 Cb 0.47 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2rml h ALA 89 CO 0.02 -0.78 0.44 -0.97 0.00 0.00 0.00 179.25 177.96 2rml h ASN 90 N -0.46 0.84 -0.68 0.00 -1.24 -1.32 0.90 115.58 113.62 2rml h ASN 90 Ca 0.02 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 2rml h ASN 90 Cb 0.46 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 2rml h ASN 90 CO -0.10 0.63 0.36 0.03 -1.29 0.00 0.00 177.43 177.06 2rml h ARG 91 N 0.97 0.98 0.07 6.67 3.08 -0.75 -1.19 114.38 124.20 2rml h ARG 91 Ca 0.26 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 2rml h ARG 91 Cb -0.06 -0.19 0.02 0.00 0.08 0.00 0.00 29.97 29.82 2rml h ARG 91 CO -0.05 0.74 -0.65 -0.84 -1.07 0.00 0.00 179.97 178.10 2rml h ILE 92 N 0.98 1.50 -0.31 2.04 3.07 -1.06 -3.40 117.51 120.33 2rml h ILE 92 Ca 0.24 -2.30 0.07 0.00 1.55 0.00 0.00 64.86 64.42 2rml h ILE 92 Cb 0.06 2.94 -0.07 0.00 -0.27 0.00 0.00 36.82 39.48 2rml h ILE 92 CO -0.04 0.65 -0.16 -0.08 -1.05 0.00 0.00 178.15 177.48 2rml h GLU 93 N -0.31 -0.11 0.00 0.16 4.81 -0.51 -0.29 114.58 118.33 2rml h GLU 93 Ca -0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2rml h GLU 93 Cb 1.43 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.84 2rml h GLU 93 CO 0.12 -0.07 0.11 -0.22 -0.73 0.00 0.00 179.01 178.22 2rml h LYS 94 N -0.11 0.00 0.00 1.92 3.64 -1.43 0.87 116.57 121.46 2rml h LYS 94 Ca 0.16 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 59.12 2rml h LYS 94 Cb 0.36 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 2rml h LYS 94 CO -0.38 0.00 -2.39 0.54 -2.27 0.00 0.00 179.45 174.94 2rml n ARG 95 N -2.48 0.56 -0.28 1.90 5.12 -0.86 -4.75 116.66 115.87 2rml n ARG 95 Ca -0.02 0.24 0.06 0.00 -1.93 0.00 0.00 57.85 56.21 2rml n ARG 95 Cb 0.15 -1.43 0.17 0.00 -1.16 0.00 0.00 32.46 30.19 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2rml h LEU 96 N -0.95 -0.42 -0.73 0.55 -0.00 0.04 -3.16 115.31 110.64 2rml h LEU 96 Ca -0.64 0.22 0.14 0.00 -0.00 0.00 0.00 57.88 57.60 2rml h LEU 96 Cb 1.55 0.39 -0.14 0.00 -0.00 0.00 0.00 40.66 42.46 2rml h LEU 96 CO -0.38 -0.22 -0.20 -3.20 -0.00 0.00 0.00 178.44 174.44 2rml n ASN 97 N -5.39 -0.29 -3.12 -0.43 2.85 0.19 -2.28 115.26 106.79 2rml n ASN 97 Ca 0.15 1.26 -0.17 0.00 -0.11 0.00 0.00 54.58 55.71 2rml n ASN 97 Cb 0.51 -0.37 -0.02 0.00 1.24 0.00 0.00 39.78 41.14 2rml n ASN 97 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2rml n LYS 98 N -5.18 1.04 -1.51 1.20 4.01 -1.22 -1.94 118.16 114.56 2rml n LYS 98 Ca 0.11 -3.39 -0.35 0.00 -0.51 0.00 0.00 58.31 54.17 2rml n LYS 98 Cb 0.36 -1.66 -0.07 0.00 -0.51 0.00 0.00 35.03 33.15 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 0.23 1.56 -3.72 -0.18 5.41 -0.97 -4.74 119.36 116.95 2rml n ILE 99 Ca 0.23 -1.50 -0.25 0.00 1.00 0.00 0.00 62.75 62.23 2rml n ILE 99 Cb 0.68 -2.20 0.05 0.00 -0.71 0.00 0.00 39.64 37.45 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 7.72 -6.09 0.00 0.38 2.13 -1.26 -0.16 120.64 123.36 2rml n GLU 100 Ca 0.47 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.98 2rml n GLU 100 Cb 0.44 -5.55 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 -1.66 4.14 3.68 8.31 0.00 -1.02 -4.72 105.19 113.92 2rml n GLY 101 Ca -0.10 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2rml n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 102 N -0.02 4.07 -0.18 1.61 1.01 0.78 -2.60 120.40 125.07 2rml s VAL 102 Ca 0.00 1.40 -0.20 0.00 0.00 0.00 0.00 61.98 63.18 2rml s VAL 102 Cb 0.00 -3.90 -0.22 0.00 0.00 0.00 0.00 36.38 32.26 2rml s VAL 102 CO 0.00 -0.02 0.32 0.00 0.00 0.00 0.00 175.10 175.40 2rml h ALA 103 N 7.69 0.25 -3.46 5.51 0.00 -1.00 -3.33 119.26 124.92 2rml h ALA 103 Ca -0.35 -1.16 -0.20 0.00 0.00 0.00 0.00 54.91 53.20 2rml h ALA 103 Cb 1.16 0.65 -0.27 0.00 0.00 0.00 0.00 17.79 19.33 2rml h ALA 103 CO 0.90 0.74 -0.62 -0.80 0.00 0.00 0.00 179.25 179.46 2rml s ASN 104 N -6.85 -0.07 -0.40 0.00 0.01 -0.62 -4.71 114.94 102.30 2rml s ASN 104 Ca -0.26 0.12 0.06 0.00 -0.71 0.00 0.00 52.86 52.06 2rml s ASN 104 Cb 0.05 0.17 0.17 0.00 0.41 0.00 0.00 41.25 42.05 2rml s ASN 104 CO 0.64 -0.06 0.52 0.00 -1.51 0.00 0.00 177.10 176.69 2rml s ALA 105 N -0.10 -1.35 -0.03 0.60 0.00 -0.82 -0.34 121.76 119.72 2rml s ALA 105 Ca -0.02 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 2rml s ALA 105 Cb -0.01 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 2rml s ALA 105 CO 0.00 -2.18 0.93 -1.25 0.00 0.00 0.00 175.76 173.26 2rml s PRO 106 N 1.51 4.52 -0.15 0.00 0.04 -1.26 -3.80 135.00 135.86 2rml s PRO 106 Ca 0.18 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 2rml s PRO 106 Cb -0.08 -3.47 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 2rml s PRO 106 CO -0.05 -0.07 0.28 0.08 0.04 0.00 0.00 177.00 177.28 2rml s VAL 107 N 1.11 5.31 -0.43 -0.36 1.01 -1.26 -3.30 120.40 122.48 2rml s VAL 107 Ca 0.49 0.52 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 2rml s VAL 107 Cb -0.20 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2rml s VAL 107 CO 0.25 0.42 0.41 0.21 0.00 0.00 0.00 175.10 176.39 2rml s ASN 108 N 0.27 6.17 -0.00 3.32 3.84 0.59 -4.98 114.94 124.16 2rml s ASN 108 Ca 0.16 -0.78 -0.02 0.00 0.21 0.00 0.00 52.86 52.43 2rml s ASN 108 Cb -0.13 -2.21 -0.01 0.00 -0.55 0.00 0.00 41.25 38.35 2rml s ASN 108 CO 0.04 -0.57 0.51 0.15 -2.79 0.00 0.00 177.10 174.43 2rml h PHE 109 N 8.72 -0.07 -0.18 0.43 3.57 -1.96 -1.57 116.94 125.88 2rml h PHE 109 Ca -0.27 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 2rml h PHE 109 Cb 1.11 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2rml h PHE 109 CO 0.61 -0.04 -0.21 0.00 -2.23 0.00 0.00 178.31 176.44 2rml h ALA 110 N -1.91 1.31 0.00 2.41 0.00 -1.96 -2.02 119.26 117.09 2rml h ALA 110 Ca -0.01 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2rml h ALA 110 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2rml h ALA 110 CO 0.01 0.47 -0.57 -0.07 0.00 0.00 0.00 179.25 179.09 2rml h LEU 111 N 0.29 0.00 0.10 0.00 -0.00 -2.01 -3.48 115.31 110.21 2rml h LEU 111 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.78 2rml h LEU 111 Cb 0.54 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.23 2rml h LEU 111 CO 0.04 0.57 -0.23 -0.62 -0.00 0.00 0.00 178.44 178.19 2rml n GLU 112 N -3.59 -1.80 -4.58 1.13 1.02 -0.64 -4.99 120.64 107.18 2rml n GLU 112 Ca -0.00 0.35 -0.27 0.00 -0.02 0.00 0.00 57.16 57.22 2rml n GLU 112 Cb 0.63 -4.05 -0.10 0.00 -0.02 0.00 0.00 31.44 27.90 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 -2.75 1.31 -0.07 2.62 -4.23 -0.91 -0.69 115.64 110.91 2rml s THR 113 Ca 0.11 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.57 2rml s THR 113 Cb -0.05 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 71.19 2rml s THR 113 CO 0.14 0.00 0.18 0.54 -0.54 0.00 0.00 174.62 174.94 2rml s VAL 114 N -3.02 -0.02 -0.53 2.29 0.11 0.01 -0.30 120.40 118.94 2rml s VAL 114 Ca 0.27 0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 59.24 2rml s VAL 114 Cb 0.06 -0.27 0.10 0.00 -1.53 0.00 0.00 36.38 34.74 2rml s VAL 114 CO 0.13 0.04 0.54 -0.89 -3.33 0.00 0.00 175.10 171.59 2rml s THR 115 N 0.68 5.09 -0.44 5.04 2.01 -1.21 -1.45 115.64 125.37 2rml s THR 115 Ca -0.05 -1.19 -0.15 0.00 0.31 0.00 0.00 61.69 60.61 2rml s THR 115 Cb -0.06 -4.33 0.05 0.00 0.01 0.00 0.00 72.50 68.17 2rml s THR 115 CO -0.04 -0.86 0.34 -0.69 -0.69 0.00 0.00 174.62 172.68 2rml s VAL 116 N 1.97 5.12 -0.48 3.82 1.01 0.66 -4.01 120.40 128.50 2rml s VAL 116 Ca 0.06 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 2rml s VAL 116 Cb -0.26 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2rml s VAL 116 CO 0.05 -0.47 0.79 -0.70 0.00 0.00 0.00 175.10 174.78 2rml s GLU 117 N 1.63 3.34 0.15 2.72 2.12 0.54 -0.36 118.70 128.84 2rml s GLU 117 Ca 0.04 -0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.09 2rml s GLU 117 Cb -0.22 -3.99 -0.03 0.00 0.26 0.00 0.00 34.13 30.15 2rml s GLU 117 CO 0.07 -1.21 0.11 1.52 -0.54 0.00 0.00 175.26 175.21 2rml s TYR 118 N 3.34 0.84 -0.45 5.30 1.13 -0.61 -0.43 117.35 126.47 2rml s TYR 118 Ca 0.28 -1.18 -0.21 0.00 -1.41 0.00 0.00 57.07 54.54 2rml s TYR 118 Cb -0.13 -0.42 0.03 0.00 -1.10 0.00 0.00 41.96 40.34 2rml s TYR 118 CO 0.20 -0.58 0.68 0.54 -2.51 0.00 0.00 175.55 173.88 2rml s ASN 119 N -3.06 6.33 0.00 -0.18 2.20 -1.07 -0.68 114.94 118.48 2rml s ASN 119 Ca 0.26 -0.36 0.14 0.00 -0.94 0.00 0.00 52.86 51.96 2rml s ASN 119 Cb 0.07 -2.33 0.79 0.00 -2.00 0.00 0.00 41.25 37.77 2rml s ASN 119 CO 0.04 -0.84 1.30 -0.81 -2.94 0.00 0.00 177.10 173.85 2rml n PRO 120 N 6.39 0.35 0.29 3.55 -0.04 -1.26 -2.58 135.00 141.70 2rml n PRO 120 Ca -0.01 0.06 0.18 0.00 -0.04 0.00 0.00 63.50 63.68 2rml n PRO 120 Cb 0.48 -1.50 0.76 0.00 -0.04 0.00 0.00 33.50 33.20 2rml n PRO 120 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2rml h LYS 121 N 0.00 0.00 0.00 0.54 1.79 -1.92 -3.37 116.57 113.60 2rml h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2rml h LYS 121 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2rml h LYS 121 CO 0.00 0.01 0.00 0.39 -1.08 0.00 0.00 179.45 178.77 2rml n GLU 122 N -3.11 1.15 -3.51 3.15 -0.58 -1.06 -5.07 120.64 111.61 2rml n GLU 122 Ca 0.00 -0.88 -0.15 0.00 -0.42 0.00 0.00 57.16 55.71 2rml n GLU 122 Cb 0.27 -0.70 -0.05 0.00 -0.57 0.00 0.00 31.44 30.40 2rml n GLU 122 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rml s ALA 123 N -0.39 -1.77 0.37 0.62 0.00 -1.26 -5.04 121.76 114.30 2rml s ALA 123 Ca 0.00 1.18 0.08 0.00 0.00 0.00 0.00 51.96 53.22 2rml s ALA 123 Cb 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2rml s ALA 123 CO 0.00 -0.46 0.13 -1.54 0.00 0.00 0.00 175.76 173.89 2rml s SER 124 N -1.57 4.47 0.55 0.00 1.04 -1.26 -4.79 113.70 112.13 2rml s SER 124 Ca -0.06 -0.94 0.23 0.00 0.48 0.00 0.00 55.95 55.66 2rml s SER 124 Cb -0.00 -0.58 1.44 0.00 0.10 0.00 0.00 66.02 66.98 2rml s SER 124 CO 0.03 -0.38 2.08 0.58 0.98 0.00 0.00 173.24 176.53 2rml h VAL 125 N 1.56 0.74 -0.75 5.02 2.07 -2.00 -1.98 116.25 120.91 2rml h VAL 125 Ca -0.43 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2rml h VAL 125 Cb 1.25 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 2rml h VAL 125 CO 0.67 0.00 0.39 0.28 0.02 0.00 0.00 177.57 178.93 2rml h SER 126 N 0.00 0.94 -0.47 0.57 0.02 -1.98 -0.74 113.55 111.89 2rml h SER 126 Ca 0.11 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 2rml h SER 126 Cb 0.50 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2rml h SER 126 CO -0.00 0.77 -0.16 0.44 -1.14 0.00 0.00 176.83 176.74 2rml h ASP 127 N 1.05 0.97 -0.33 3.07 3.32 -1.76 -0.03 116.42 122.71 2rml h ASP 127 Ca 0.26 -0.34 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 2rml h ASP 127 Cb 0.05 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 2rml h ASP 127 CO -0.04 1.12 -0.45 -0.07 -1.72 0.00 0.00 179.24 178.08 2rml h LEU 128 N 0.85 0.96 -0.13 1.55 3.38 -1.54 -2.60 115.31 117.78 2rml h LEU 128 Ca 0.12 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2rml h LEU 128 Cb 0.71 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2rml h LEU 128 CO 0.05 1.27 0.08 0.11 0.09 0.00 0.00 178.44 180.05 2rml h LYS 129 N 0.68 0.18 -0.22 1.13 1.57 -0.89 -0.24 116.57 118.77 2rml h LYS 129 Ca 0.04 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2rml h LYS 129 Cb 1.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2rml h LYS 129 CO 0.10 0.14 0.17 0.93 -0.57 0.00 0.00 179.45 180.23 2rml h GLU 130 N 0.16 0.00 0.00 3.15 5.08 -1.01 0.27 114.58 122.23 2rml h GLU 130 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2rml h GLU 130 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2rml h GLU 130 CO -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.92 2rml h ALA 131 N 1.87 0.01 0.00 3.43 0.00 -1.04 -3.37 119.26 120.16 2rml h ALA 131 Ca 0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2rml h ALA 131 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2rml h ALA 131 CO -0.00 -0.03 -0.34 0.28 0.00 0.00 0.00 179.25 179.16 2rml h VAL 132 N -0.74 0.78 -0.80 0.00 2.07 -0.64 -3.03 116.25 113.90 2rml h VAL 132 Ca -0.01 -1.45 0.13 0.00 0.82 0.00 0.00 66.70 66.18 2rml h VAL 132 Cb 0.90 1.92 -0.09 0.00 -1.52 0.00 0.00 31.29 32.50 2rml h VAL 132 CO 0.02 0.33 0.40 -0.78 0.02 0.00 0.00 177.57 177.55 2rml h ASP 133 N 0.00 0.48 0.17 0.57 3.58 -1.12 -1.58 116.42 118.52 2rml h ASP 133 Ca -0.00 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 2rml h ASP 133 Cb 0.89 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 2rml h ASP 133 CO 0.04 0.23 -0.28 0.50 -2.88 0.00 0.00 179.24 176.85 2rml h LYS 134 N 0.60 0.19 0.00 0.28 3.64 -1.69 -1.92 116.57 117.67 2rml h LYS 134 Ca 0.42 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2rml h LYS 134 Cb 0.55 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2rml h LYS 134 CO -0.34 0.46 -0.27 1.28 -2.27 0.00 0.00 179.45 178.31 2rml n LEU 135 N -4.15 0.68 0.00 5.20 7.99 -0.89 -4.99 117.00 120.84 2rml n LEU 135 Ca -0.01 0.40 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 2rml n LEU 135 Cb 0.37 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2rml n LEU 135 CO 0.39 -0.10 0.00 0.61 -1.51 0.00 0.00 177.39 176.79 2rml n GLY 136 N 1.35 1.08 0.00 -0.72 0.00 -0.65 -5.06 105.19 101.20 2rml n GLY 136 Ca 0.05 0.00 0.00 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 -1.82 -0.05 -3.92 1.61 4.01 -1.19 -5.03 117.16 110.77 2rml n TYR 137 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 2rml n TYR 137 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rml s LYS 138 N 0.80 0.16 -0.64 -0.72 0.00 -1.26 -4.46 119.74 113.62 2rml s LYS 138 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 55.97 55.53 2rml s LYS 138 Cb 0.00 0.06 0.13 0.00 0.00 0.00 0.00 37.83 38.01 2rml s LYS 138 CO 0.00 -0.03 0.71 -0.51 0.00 0.00 0.00 175.35 175.52 2rml s LEU 139 N -0.67 5.69 0.90 2.77 1.43 -1.26 -4.00 118.68 123.54 2rml s LEU 139 Ca -0.07 -1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 51.19 2rml s LEU 139 Cb -0.05 -2.28 0.13 0.00 0.03 0.00 0.00 46.19 44.03 2rml s LEU 139 CO -0.00 -1.00 1.14 -0.54 0.23 0.00 0.00 176.35 176.18 2rml s LYS 140 N 2.16 1.21 0.01 1.70 1.02 -0.10 -4.92 119.74 120.82 2rml s LYS 140 Ca 0.12 0.30 0.03 0.00 0.02 0.00 0.00 55.97 56.44 2rml s LYS 140 Cb -0.22 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 2rml s LYS 140 CO 0.02 -2.15 -0.09 -0.51 -0.92 0.00 0.00 175.35 171.70 2rml s LEU 141 N -6.01 2.09 -0.39 3.17 1.43 -1.26 -1.47 118.68 116.25 2rml s LEU 141 Ca 0.64 -0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 53.21 2rml s LEU 141 Cb -0.15 -0.40 0.02 0.00 0.03 0.00 0.00 46.19 45.69 2rml s LEU 141 CO 0.53 0.03 0.84 -0.75 0.23 0.00 0.00 176.35 177.23 2rml s LYS 142 N -0.64 3.70 0.00 1.70 2.20 -1.16 -0.71 119.74 124.83 2rml s LYS 142 Ca 0.00 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 2rml s LYS 142 Cb -0.05 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2rml s LYS 142 CO 0.00 -0.96 0.00 0.41 -0.36 0.00 0.00 175.35 174.45 2rml n GLY 143 N 4.60 0.98 0.06 5.54 0.00 -1.25 -4.67 105.19 110.45 2rml n GLY 143 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 0.11 0.00 1.61 1.02 -1.25 -4.53 120.64 117.60 2rml n GLU 144 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2rml n GLU 144 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 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 -1.87 0.00 -0.07 3.49 6.02 -1.16 -4.95 117.38 118.84 2rml n GLN 145 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.97 2rml n GLN 145 Cb 0.28 -0.06 -0.13 0.00 1.02 0.00 0.00 30.24 31.35 2rml n GLN 145 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2rml n ASP 146 N -2.24 1.11 0.00 1.08 2.03 0.11 -4.93 116.55 113.71 2rml n ASP 146 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2rml n ASP 146 Cb 0.00 0.98 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 2rml n ASP 146 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74