#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 0.17 -0.89 -0.00 -1.26 -4.98 117.00 110.04 2rml n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2rml n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2rml n LEU 2 CO 0.00 -0.03 0.00 -1.20 -0.00 0.00 0.00 177.39 176.16 2rml n SER 3 N -3.62 -3.06 0.00 1.45 7.64 -1.26 -5.05 113.62 109.72 2rml n SER 3 Ca 0.00 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.64 2rml n SER 3 Cb 0.00 2.97 0.00 0.00 -1.01 0.00 0.00 64.21 66.17 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 -3.28 0.00 -1.88 1.43 0.28 -1.26 -5.19 120.64 110.75 2rml n GLU 4 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 2rml n GLU 4 Cb 0.00 0.00 0.03 0.00 1.43 0.00 0.00 31.44 32.90 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 -1.09 3.19 0.05 3.44 -0.21 -1.26 -4.49 119.66 119.28 2rml s GLN 5 Ca 0.00 0.59 -0.02 0.00 0.02 0.00 0.00 55.36 55.95 2rml s GLN 5 Cb 0.00 -2.05 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 2rml s GLN 5 CO 0.00 -0.83 0.01 0.21 -2.12 0.00 0.00 175.29 172.56 2rml s LYS 6 N -5.28 0.61 0.21 2.91 2.47 0.21 -4.96 119.74 115.91 2rml s LYS 6 Ca 0.57 -1.09 0.07 0.00 -1.56 0.00 0.00 55.97 53.96 2rml s LYS 6 Cb -0.11 0.22 -0.04 0.00 -1.46 0.00 0.00 37.83 36.44 2rml s LYS 6 CO 0.53 -0.13 0.06 -1.83 0.16 0.00 0.00 175.35 174.14 2rml s GLU 7 N -3.56 2.58 -0.11 4.03 1.03 -1.26 -1.45 118.70 119.96 2rml s GLU 7 Ca 0.04 -1.11 -0.30 0.00 0.03 0.00 0.00 54.97 53.62 2rml s GLU 7 Cb 0.05 -2.42 0.11 0.00 -0.80 0.00 0.00 34.13 31.08 2rml s GLU 7 CO -0.09 0.43 0.93 -1.50 -1.33 0.00 0.00 175.26 173.71 2rml s ILE 8 N -1.93 0.00 0.11 1.83 1.10 -0.82 -4.95 121.20 116.54 2rml s ILE 8 Ca 0.30 0.00 0.05 0.00 -0.51 0.00 0.00 60.65 60.49 2rml s ILE 8 Cb -0.09 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.49 2rml s ILE 8 CO 0.21 0.00 -0.13 0.00 -2.11 0.00 0.00 174.94 172.91 2rml s ALA 9 N -1.67 1.36 -0.01 1.50 0.00 -1.26 -0.28 121.76 121.40 2rml s ALA 9 Ca -0.01 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 2rml s ALA 9 Cb -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2rml s ALA 9 CO -0.00 0.09 0.22 -1.64 0.00 0.00 0.00 175.76 174.43 2rml s MET 10 N -2.50 0.57 -0.25 0.00 -1.94 -0.49 -4.27 119.30 110.42 2rml s MET 10 Ca 0.06 -0.28 -0.15 0.00 -1.71 0.00 0.00 55.69 53.61 2rml s MET 10 Cb -0.06 0.24 -0.04 0.00 2.01 0.00 0.00 34.83 36.99 2rml s MET 10 CO 0.02 -0.15 0.39 -1.14 -0.01 0.00 0.00 175.02 174.14 2rml s GLN 11 N -1.31 4.07 -0.19 2.03 -0.44 -1.26 -0.53 119.66 122.03 2rml s GLN 11 Ca -0.14 0.11 -0.03 0.00 -2.50 0.00 0.00 55.36 52.80 2rml s GLN 11 Cb -0.06 -3.62 -0.01 0.00 -1.64 0.00 0.00 33.01 27.68 2rml s GLN 11 CO 0.03 -0.21 -0.07 0.54 0.50 0.00 0.00 175.29 176.08 2rml s VAL 12 N 1.86 3.37 -0.14 1.34 0.11 0.91 -1.01 120.40 126.85 2rml s VAL 12 Ca 0.17 -0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 2rml s VAL 12 Cb -0.15 -2.49 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 2rml s VAL 12 CO 0.09 0.46 0.05 -0.44 -3.33 0.00 0.00 175.10 171.93 2rml s SER 13 N 0.99 5.55 0.00 3.54 0.01 0.68 -4.64 113.70 119.83 2rml s SER 13 Ca -0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2rml s SER 13 Cb -0.15 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2rml s SER 13 CO 0.00 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2rml n GLY 14 N 2.91 1.30 3.52 3.44 0.00 -1.26 -1.42 105.19 113.67 2rml n GLY 14 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 3.88 -0.35 1.61 -1.94 -1.26 -4.60 119.30 116.63 2rml s MET 15 Ca 0.00 -1.98 0.14 0.00 -1.71 0.00 0.00 55.69 52.14 2rml s MET 15 Cb 0.00 -5.24 0.39 0.00 2.01 0.00 0.00 34.83 31.99 2rml s MET 15 CO 0.00 -2.00 0.82 2.41 -0.01 0.00 0.00 175.02 176.24 2rml n THR 16 N 5.75 0.28 -0.56 2.05 -1.04 -1.26 -4.89 114.28 114.61 2rml n THR 16 Ca 0.38 -3.96 0.00 0.00 -2.04 0.00 0.00 64.05 58.43 2rml n THR 16 Cb 0.46 0.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 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 0.00 0.00 0.31 0.00 0.00 -1.26 -4.49 120.51 115.07 2rml n ALA 18 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 2rml n ALA 18 Cb 0.00 0.00 1.12 0.00 0.00 0.00 0.00 19.45 20.57 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 -0.59 0.00 0.00 -1.99 -2.08 119.26 115.60 2rml h ALA 19 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 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 0.10 0.00 0.00 0.00 0.00 179.25 179.35 2rml h ALA 21 N 1.49 0.03 0.00 0.00 0.00 -1.77 -2.98 119.26 116.02 2rml h ALA 21 Ca 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2rml h ALA 21 Cb 0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2rml h ALA 21 CO -0.42 -0.47 -0.02 0.00 0.00 0.00 0.00 179.25 178.34 2rml h ALA 22 N 0.99 1.29 -0.04 0.00 0.00 -1.54 -1.44 119.26 118.53 2rml h ALA 22 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2rml h ALA 22 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rml h ALA 22 CO -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 179.25 179.19 2rml h ARG 23 N 0.00 0.14 0.24 0.00 2.47 -0.95 -3.31 114.38 112.97 2rml h ARG 23 Ca -0.00 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 2rml h ARG 23 Cb 0.08 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2rml h ARG 23 CO 0.00 0.66 -0.12 0.82 0.56 0.00 0.00 179.97 181.90 2rml h ILE 24 N -0.37 0.74 -0.66 2.04 1.08 -1.15 -1.38 117.51 117.81 2rml h ILE 24 Ca 0.00 -0.85 -0.06 0.00 -0.39 0.00 0.00 64.86 63.56 2rml h ILE 24 Cb 0.65 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 2rml h ILE 24 CO 0.02 0.16 0.16 -0.33 -0.69 0.00 0.00 178.15 177.47 2rml h GLU 25 N -0.82 1.05 -0.48 2.37 5.08 -1.69 -0.57 114.58 119.52 2rml h GLU 25 Ca -0.03 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 2rml h GLU 25 Cb 0.51 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2rml h GLU 25 CO 0.05 0.95 0.07 -0.22 -1.00 0.00 0.00 179.01 178.86 2rml h LYS 26 N 0.98 0.80 -0.80 2.33 3.64 -1.65 -0.97 116.57 120.89 2rml h LYS 26 Ca 0.21 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2rml h LYS 26 Cb 0.37 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 2rml h LYS 26 CO 0.00 0.81 0.39 0.78 -2.27 0.00 0.00 179.45 179.17 2rml h GLY 27 N 0.67 1.22 0.65 5.01 0.00 -0.75 -2.12 103.07 107.75 2rml h GLY 27 Ca 0.14 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 2rml h GLY 27 CO 0.01 0.56 -0.11 1.41 0.00 0.00 0.00 176.54 178.41 2rml h LEU 28 N 1.13 0.26 -0.07 3.11 3.38 -1.05 -3.23 115.31 118.84 2rml h LEU 28 Ca 0.28 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2rml h LEU 28 Cb 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2rml h LEU 28 CO -0.04 0.71 0.00 1.17 0.09 0.00 0.00 178.44 180.37 2rml n LYS 29 N -4.64 0.02 0.00 1.13 4.81 -0.38 -1.29 118.16 117.82 2rml n LYS 29 Ca -0.07 0.31 0.10 0.00 -0.87 0.00 0.00 58.31 57.78 2rml n LYS 29 Cb 0.34 -1.53 0.45 0.00 0.02 0.00 0.00 35.03 34.31 2rml n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2rml n ARG 30 N -1.57 0.01 -2.08 1.64 5.12 -0.81 -4.87 116.66 114.10 2rml n ARG 30 Ca 0.03 0.14 -0.32 0.00 -1.93 0.00 0.00 57.85 55.77 2rml n ARG 30 Cb 0.15 -1.51 -0.00 0.00 -1.16 0.00 0.00 32.46 29.93 2rml n ARG 30 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2rml s MET 31 N -3.01 3.52 -0.02 5.56 -1.94 -0.41 -5.04 119.30 117.97 2rml s MET 31 Ca 0.10 1.03 -0.21 0.00 -1.71 0.00 0.00 55.69 54.90 2rml s MET 31 Cb 0.14 -2.07 -0.13 0.00 2.01 0.00 0.00 34.83 34.78 2rml s MET 31 CO 0.39 -0.63 0.91 -1.00 -0.01 0.00 0.00 175.02 174.68 2rml h PRO 32 N 0.36 -0.59 -1.83 2.03 0.13 -1.89 -3.38 132.00 126.83 2rml h PRO 32 Ca -0.46 0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.54 2rml h PRO 32 Cb 1.20 0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.40 2rml h PRO 32 CO 0.59 -0.32 0.13 0.41 -0.23 0.00 0.00 178.00 178.58 2rml n GLY 33 N -0.03 3.26 2.74 1.56 0.00 -1.26 -4.79 105.19 106.68 2rml n GLY 33 Ca -0.09 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.86 0.09 -0.23 1.61 1.01 -1.26 -0.56 120.40 120.20 2rml s VAL 34 Ca 0.23 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.55 2rml s VAL 34 Cb 0.15 -0.27 -0.20 0.00 0.00 0.00 0.00 36.38 36.06 2rml s VAL 34 CO -0.02 0.18 -0.10 1.07 0.00 0.00 0.00 175.10 176.23 2rml n THR 35 N 4.87 1.45 -3.66 3.92 5.66 -0.39 -4.89 114.28 121.24 2rml n THR 35 Ca -0.12 -0.69 -0.13 0.00 -3.05 0.00 0.00 64.05 60.05 2rml n THR 35 Cb 0.50 -1.01 -0.08 0.00 -1.55 0.00 0.00 70.33 68.19 2rml n THR 35 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2rml s ASP 36 N -6.08 -0.68 -0.02 1.09 2.15 -0.67 -5.03 116.67 107.43 2rml s ASP 36 Ca -0.24 1.29 -0.01 0.00 0.43 0.00 0.00 52.55 54.02 2rml s ASP 36 Cb 0.08 1.30 0.02 0.00 -0.30 0.00 0.00 42.92 44.02 2rml s ASP 36 CO 0.70 -0.22 0.04 0.00 -0.17 0.00 0.00 175.17 175.52 2rml s ALA 37 N 0.43 -0.00 -0.08 3.66 0.00 -1.26 -0.48 121.76 124.02 2rml s ALA 37 Ca -0.01 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 2rml s ALA 37 Cb -0.05 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.91 2rml s ALA 37 CO -0.01 -0.09 0.16 -0.80 0.00 0.00 0.00 175.76 175.03 2rml s ASN 38 N 0.76 0.36 -0.13 0.00 0.01 -0.30 -4.87 114.94 110.78 2rml s ASN 38 Ca -0.06 0.34 -0.15 0.00 -0.71 0.00 0.00 52.86 52.28 2rml s ASN 38 Cb -0.09 0.27 -0.05 0.00 0.41 0.00 0.00 41.25 41.79 2rml s ASN 38 CO -0.02 -0.20 0.35 0.54 -1.51 0.00 0.00 177.10 176.25 2rml s VAL 39 N 1.83 5.25 -1.04 1.60 0.11 -1.26 -1.28 120.40 125.60 2rml s VAL 39 Ca -0.02 0.67 -0.18 0.00 -2.93 0.00 0.00 61.98 59.52 2rml s VAL 39 Cb -0.12 -3.68 0.12 0.00 -1.53 0.00 0.00 36.38 31.18 2rml s VAL 39 CO -0.06 0.41 1.30 0.21 -3.33 0.00 0.00 175.10 173.63 2rml s ASN 40 N 0.22 6.74 0.36 3.54 3.84 0.24 -4.91 114.94 124.96 2rml s ASN 40 Ca 0.20 -2.23 0.03 0.00 0.21 0.00 0.00 52.86 51.07 2rml s ASN 40 Cb -0.14 -2.44 0.66 0.00 -0.55 0.00 0.00 41.25 38.78 2rml s ASN 40 CO 0.07 -1.06 1.99 0.25 -2.79 0.00 0.00 177.10 175.56 2rml h LEU 41 N 10.77 0.65 -0.06 3.21 6.46 -1.94 -1.31 115.31 133.10 2rml h LEU 41 Ca 0.23 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2rml h LEU 41 Cb 0.97 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2rml h LEU 41 CO 1.22 0.51 0.00 0.00 -0.62 0.00 0.00 178.44 179.55 2rml n ALA 42 N -2.45 1.12 -0.55 1.25 0.00 -1.26 -1.29 120.51 117.33 2rml n ALA 42 Ca 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.50 2rml n ALA 42 Cb 0.08 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.48 2rml n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2rml n THR 43 N -1.54 0.62 -2.03 0.00 -1.04 -0.60 -5.02 114.28 104.68 2rml n THR 43 Ca 0.01 -0.65 -0.08 0.00 -2.04 0.00 0.00 64.05 61.29 2rml n THR 43 Cb 0.03 0.65 -0.01 0.00 -1.82 0.00 0.00 70.33 69.17 2rml n THR 43 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2rml n GLU 44 N -0.34 -2.04 -4.08 -2.82 1.02 -0.41 -4.90 120.64 107.07 2rml n GLU 44 Ca 0.01 0.41 -0.34 0.00 -0.02 0.00 0.00 57.16 57.22 2rml n GLU 44 Cb 0.39 -4.83 -0.15 0.00 -0.02 0.00 0.00 31.44 26.84 2rml n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2rml s THR 45 N -2.14 2.99 -0.20 2.62 2.01 -0.88 -0.06 115.64 119.97 2rml s THR 45 Ca 0.00 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 2rml s THR 45 Cb 0.00 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 2rml s THR 45 CO 0.00 0.47 0.16 -0.55 -0.69 0.00 0.00 174.62 174.01 2rml s SER 46 N 1.28 6.22 -0.14 3.53 0.15 0.31 -0.59 113.70 124.47 2rml s SER 46 Ca 0.03 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.95 2rml s SER 46 Cb -0.14 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2rml s SER 46 CO -0.05 0.14 -0.19 0.20 1.20 0.00 0.00 173.24 174.54 2rml s ASN 47 N 0.53 3.37 -0.01 5.45 0.01 -0.41 -1.39 114.94 122.49 2rml s ASN 47 Ca 0.09 -0.53 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 2rml s ASN 47 Cb -0.12 -1.49 0.00 0.00 0.41 0.00 0.00 41.25 40.05 2rml s ASN 47 CO 0.00 0.10 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.97 2rml s VAL 48 N 0.70 0.33 -0.16 1.60 1.01 0.61 -1.15 120.40 123.33 2rml s VAL 48 Ca -0.09 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2rml s VAL 48 Cb -0.16 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 35.94 2rml s VAL 48 CO 0.01 0.11 -0.19 -0.63 0.00 0.00 0.00 175.10 174.40 2rml s ILE 49 N 0.14 1.96 0.22 2.22 1.09 0.37 -1.93 121.20 125.27 2rml s ILE 49 Ca -0.01 -0.89 -0.00 0.00 -1.10 0.00 0.00 60.65 58.65 2rml s ILE 49 Cb -0.04 -1.77 -0.04 0.00 -1.06 0.00 0.00 42.46 39.54 2rml s ILE 49 CO -0.00 0.53 0.12 -0.72 -0.10 0.00 0.00 174.94 174.77 2rml s TYR 50 N 1.22 1.30 -0.34 3.97 1.13 -0.53 -1.26 117.35 122.84 2rml s TYR 50 Ca 0.02 -1.33 -0.06 0.00 -1.41 0.00 0.00 57.07 54.30 2rml s TYR 50 Cb -0.13 -0.67 0.05 0.00 -1.10 0.00 0.00 41.96 40.10 2rml s TYR 50 CO -0.10 -0.55 0.11 0.34 -2.51 0.00 0.00 175.55 172.83 2rml s ASP 51 N -3.22 5.26 0.00 -0.18 -1.08 0.28 -0.62 116.67 117.12 2rml s ASP 51 Ca 0.39 -1.27 0.14 0.00 -0.52 0.00 0.00 52.55 51.28 2rml s ASP 51 Cb 0.07 -1.85 0.83 0.00 -1.46 0.00 0.00 42.92 40.52 2rml s ASP 51 CO 0.13 -0.35 1.27 -0.81 0.52 0.00 0.00 175.17 175.93 2rml n PRO 52 N 4.77 0.56 0.07 4.34 -0.04 -1.26 -1.59 135.00 141.85 2rml n PRO 52 Ca -0.12 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.20 2rml n PRO 52 Cb 0.44 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2rml n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rml h ALA 53 N 2.90 0.30 0.00 0.55 0.00 -1.93 -3.40 119.26 117.68 2rml h ALA 53 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2rml h ALA 53 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2rml h ALA 53 CO 0.00 0.82 -0.08 0.39 0.00 0.00 0.00 179.25 180.38 2rml n GLU 54 N -3.73 5.15 -4.02 0.00 -0.58 -1.02 -5.06 120.64 111.38 2rml n GLU 54 Ca -0.07 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.51 2rml n GLU 54 Cb 0.87 -0.45 -0.15 0.00 -0.57 0.00 0.00 31.44 31.14 2rml n GLU 54 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2rml s THR 55 N -0.88 0.26 0.22 2.62 -1.32 -0.62 -4.87 115.64 111.06 2rml s THR 55 Ca 0.00 -0.06 -0.13 0.00 -1.21 0.00 0.00 61.69 60.29 2rml s THR 55 Cb 0.00 -0.27 -0.08 0.00 -1.51 0.00 0.00 72.50 70.64 2rml s THR 55 CO 0.00 0.11 0.61 -0.83 -2.21 0.00 0.00 174.62 172.31 2rml s GLY 56 N 0.40 2.38 0.38 6.08 0.00 -1.26 -4.06 107.32 111.24 2rml s GLY 56 Ca -0.04 -0.11 0.07 0.00 0.00 0.00 0.00 44.72 44.64 2rml s GLY 56 CO -0.01 0.11 1.97 -0.84 0.00 0.00 0.00 173.10 174.34 2rml h THR 57 N 2.32 1.02 -0.48 0.90 2.02 -1.98 -2.23 112.91 114.48 2rml h THR 57 Ca -0.48 -0.24 0.12 0.00 0.77 0.00 0.00 66.41 66.58 2rml h THR 57 Cb 1.18 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2rml h THR 57 CO 0.67 0.13 0.34 0.00 0.37 0.00 0.00 175.52 177.02 2rml h ALA 58 N 1.63 2.30 -0.00 6.16 0.00 -1.95 -0.87 119.26 126.53 2rml h ALA 58 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2rml h ALA 58 Cb 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rml h ALA 58 CO -0.09 -0.43 0.01 0.00 0.00 0.00 0.00 179.25 178.74 2rml h ALA 59 N 1.76 1.17 -0.06 0.00 0.00 -1.81 -1.66 119.26 118.66 2rml h ALA 59 Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2rml h ALA 59 Cb 0.76 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2rml h ALA 59 CO -0.03 -0.01 -0.05 0.82 0.00 0.00 0.00 179.25 179.98 2rml h ILE 60 N 0.00 1.36 0.00 0.00 1.08 -1.34 -2.09 117.51 116.51 2rml h ILE 60 Ca 0.00 -1.15 -0.14 0.00 -0.39 0.00 0.00 64.86 63.18 2rml h ILE 60 Cb 0.03 2.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 2rml h ILE 60 CO -0.00 0.32 -0.69 0.06 -0.69 0.00 0.00 178.15 177.15 2rml h GLN 61 N -0.29 0.00 -0.55 2.37 3.07 -1.55 -2.00 115.11 116.16 2rml h GLN 61 Ca 0.01 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.82 2rml h GLN 61 Cb 0.53 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.03 2rml h GLN 61 CO 0.01 0.69 0.24 0.93 0.09 0.00 0.00 178.83 180.79 2rml h GLU 62 N 0.00 0.43 -0.00 0.06 5.08 -1.36 -0.84 114.58 117.95 2rml h GLU 62 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2rml h GLU 62 Cb 1.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2rml h GLU 62 CO 0.09 0.29 -0.01 1.17 -1.00 0.00 0.00 179.01 179.55 2rml n LYS 63 N -4.94 0.99 -0.03 2.33 4.81 -0.79 -1.12 118.16 119.41 2rml n LYS 63 Ca 0.06 -0.12 -0.05 0.00 -0.87 0.00 0.00 58.31 57.33 2rml n LYS 63 Cb 0.20 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.71 2rml n LYS 63 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2rml h ILE 64 N 0.29 0.57 -0.57 3.15 2.04 -0.67 -3.36 117.51 118.96 2rml h ILE 64 Ca 0.00 -1.36 0.04 0.00 1.00 0.00 0.00 64.86 64.54 2rml h ILE 64 Cb 0.11 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2rml h ILE 64 CO 0.00 0.19 0.32 -0.33 0.00 0.00 0.00 178.15 178.33 2rml h GLU 65 N -1.00 0.60 0.00 2.37 4.39 -0.87 -1.13 114.58 118.94 2rml h GLU 65 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2rml h GLU 65 Cb 0.35 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2rml h GLU 65 CO 0.01 0.40 0.00 1.63 -1.16 0.00 0.00 179.01 179.89 2rml n LYS 66 N -4.81 0.08 -0.05 2.33 4.76 -0.27 -2.96 118.16 117.24 2rml n LYS 66 Ca 0.05 0.20 0.12 0.00 -2.87 0.00 0.00 58.31 55.81 2rml n LYS 66 Cb 0.12 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 31.94 2rml n LYS 66 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2rml n LEU 67 N -1.43 3.12 0.00 -0.35 7.99 -0.43 -4.99 117.00 120.90 2rml n LEU 67 Ca 0.05 -1.12 0.00 0.00 -0.01 0.00 0.00 56.01 54.93 2rml n LEU 67 Cb 0.17 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 2rml n LEU 67 CO 0.14 0.56 0.00 0.61 -1.51 0.00 0.00 177.39 177.19 2rml n GLY 68 N 1.39 1.03 3.11 -0.72 0.00 -1.15 -4.89 105.19 103.96 2rml n GLY 68 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 1.12 -0.26 1.61 1.51 -1.25 -5.05 117.35 113.03 2rml s TYR 69 Ca 0.00 -0.32 -0.11 0.00 -1.01 0.00 0.00 57.07 55.63 2rml s TYR 69 Cb 0.00 -0.68 -0.05 0.00 -0.11 0.00 0.00 41.96 41.12 2rml s TYR 69 CO 0.00 0.01 0.19 -1.01 -1.11 0.00 0.00 175.55 173.63 2rml s HIS 70 N -0.73 3.26 0.15 2.71 3.76 -0.51 -3.89 115.29 120.05 2rml s HIS 70 Ca 0.01 0.19 -0.30 0.00 -0.15 0.00 0.00 55.06 54.81 2rml s HIS 70 Cb -0.07 -2.35 -0.07 0.00 1.11 0.00 0.00 32.58 31.20 2rml s HIS 70 CO 0.01 -0.07 1.09 0.54 -0.85 0.00 0.00 174.74 175.46 2rml s VAL 71 N 1.47 3.99 -1.75 -0.90 0.11 -1.26 -0.23 120.40 121.83 2rml s VAL 71 Ca 0.08 1.67 0.00 0.00 -2.93 0.00 0.00 61.98 60.80 2rml s VAL 71 Cb -0.15 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 2rml s VAL 71 CO 0.08 0.27 0.74 0.55 -3.33 0.00 0.00 175.10 173.41 2rml n VAL 72 N 2.59 0.00 -1.74 2.04 3.14 -0.18 -4.93 118.33 119.26 2rml n VAL 72 Ca 0.03 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.00 2rml n VAL 72 Cb 0.47 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 2rml n VAL 72 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2rml n THR 73 N -0.36 2.26 -4.15 1.55 -1.04 -1.26 -4.65 114.28 106.63 2rml n THR 73 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.41 2rml n THR 73 Cb 0.05 -1.76 -0.10 0.00 -1.82 0.00 0.00 70.33 66.70 2rml n THR 73 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2rml s GLU 74 N -2.13 0.89 0.12 -2.82 2.12 -0.54 -4.99 118.70 111.35 2rml s GLU 74 Ca 0.57 -1.41 0.05 0.00 0.36 0.00 0.00 54.97 54.54 2rml s GLU 74 Cb -0.50 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.02 2rml s GLU 74 CO 0.61 -0.22 -0.13 -1.59 -0.54 0.00 0.00 175.26 173.39 2rml s LYS 75 N -4.01 1.00 0.24 4.30 -2.85 -1.26 -1.20 119.74 115.96 2rml s LYS 75 Ca 0.21 -1.24 -0.16 0.00 -1.00 0.00 0.00 55.97 53.78 2rml s LYS 75 Cb 0.07 -0.83 0.01 0.00 -2.06 0.00 0.00 37.83 35.03 2rml s LYS 75 CO -0.00 0.15 0.56 0.00 0.10 0.00 0.00 175.35 176.16 2rml s ALA 76 N -2.26 -0.71 0.02 0.59 0.00 -0.08 -5.00 121.76 114.31 2rml s ALA 76 Ca 0.09 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.58 2rml s ALA 76 Cb -0.04 0.94 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 2rml s ALA 76 CO 0.02 -0.89 -0.20 -1.21 0.00 0.00 0.00 175.76 173.48 2rml s GLU 77 N -3.95 1.44 0.12 0.00 2.02 -1.26 -0.42 118.70 116.65 2rml s GLU 77 Ca 0.15 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.37 2rml s GLU 77 Cb -0.02 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 2rml s GLU 77 CO 0.05 0.39 -0.12 -0.06 0.02 0.00 0.00 175.26 175.54 2rml s PHE 78 N -0.65 1.27 -0.15 1.61 0.40 -0.49 -2.67 117.98 117.29 2rml s PHE 78 Ca 0.07 -0.61 -0.09 0.00 -0.60 0.00 0.00 56.93 55.70 2rml s PHE 78 Cb -0.08 -0.67 -0.05 0.00 0.51 0.00 0.00 43.02 42.74 2rml s PHE 78 CO 0.01 0.09 0.15 0.34 0.70 0.00 0.00 175.22 176.51 2rml s ASP 79 N -2.54 6.32 -0.76 1.36 -1.08 0.16 -0.85 116.67 119.29 2rml s ASP 79 Ca 0.09 0.38 0.02 0.00 -0.52 0.00 0.00 52.55 52.52 2rml s ASP 79 Cb -0.03 -2.09 0.34 0.00 -1.46 0.00 0.00 42.92 39.68 2rml s ASP 79 CO 0.02 0.29 1.41 -0.38 0.52 0.00 0.00 175.17 177.03 2rml n ILE 80 N 2.75 4.16 -1.82 4.11 2.08 -0.18 -1.48 119.36 128.98 2rml n ILE 80 Ca -0.18 -5.51 -0.40 0.00 0.56 0.00 0.00 62.75 57.22 2rml n ILE 80 Cb 0.53 -1.42 0.01 0.00 -0.75 0.00 0.00 39.64 38.01 2rml n ILE 80 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2rml s GLU 81 N -3.87 3.92 0.00 0.38 0.41 -1.26 -1.74 118.70 116.55 2rml s GLU 81 Ca 0.46 2.48 0.00 0.00 -0.41 0.00 0.00 54.97 57.49 2rml s GLU 81 Cb 0.28 -2.82 0.00 0.00 -1.78 0.00 0.00 34.13 29.81 2rml s GLU 81 CO -0.17 -0.65 0.00 0.41 -0.49 0.00 0.00 175.26 174.36 2rml n GLY 82 N 0.53 2.14 3.94 -1.39 0.00 -1.26 -1.07 105.19 108.08 2rml n GLY 82 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.78 3.41 0.00 1.61 0.23 -0.71 -4.71 119.30 118.34 2rml s MET 83 Ca 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 55.69 54.34 2rml s MET 83 Cb 0.00 -2.62 0.00 0.00 -1.53 0.00 0.00 34.83 30.68 2rml s MET 83 CO 0.00 0.04 0.00 0.25 -2.03 0.00 0.00 175.02 173.28 2rml n THR 84 N -1.88 0.00 -2.96 3.16 -2.24 -1.26 -5.03 114.28 104.07 2rml n THR 84 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2rml n THR 84 Cb 0.56 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2rml n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rml h ALA 86 N 2.00 0.35 0.00 0.00 0.00 -1.95 -0.74 119.26 118.92 2rml h ALA 86 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2rml h ALA 86 Cb 0.00 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2rml h ALA 86 CO 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 179.25 178.76 2rml h ALA 87 N 1.55 1.18 0.12 0.00 0.00 -1.98 0.97 119.26 121.10 2rml h ALA 87 Ca 0.32 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.86 2rml h ALA 87 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2rml h ALA 87 CO -0.72 0.02 -1.91 0.00 0.00 0.00 0.00 179.25 176.64 2rml h ALA 89 N 0.18 -1.33 -0.16 0.00 0.00 -0.83 -3.13 119.26 113.99 2rml h ALA 89 Ca -0.39 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2rml h ALA 89 Cb 2.04 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 20.37 2rml h ALA 89 CO 0.11 -1.25 0.11 -0.91 0.00 0.00 0.00 179.25 177.30 2rml h ASN 90 N -1.31 0.18 -0.75 0.00 -0.26 -1.04 0.26 115.58 112.65 2rml h ASN 90 Ca -0.13 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 2rml h ASN 90 Cb 1.02 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 38.20 2rml h ASN 90 CO 0.20 0.13 0.44 0.03 -1.06 0.00 0.00 177.43 177.16 2rml h ARG 91 N 0.21 1.04 0.07 0.81 3.08 -1.63 -2.86 114.38 115.09 2rml h ARG 91 Ca 0.06 -0.10 -0.28 0.00 0.07 0.00 0.00 59.98 59.73 2rml h ARG 91 Cb -0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 2rml h ARG 91 CO -0.01 0.74 -1.43 -0.84 -1.07 0.00 0.00 179.97 177.37 2rml h ILE 92 N 1.05 1.24 -1.00 2.04 3.07 -1.26 -3.39 117.51 119.27 2rml h ILE 92 Ca 0.27 -2.94 0.20 0.00 1.55 0.00 0.00 64.86 63.94 2rml h ILE 92 Cb -0.01 2.72 -0.10 0.00 -0.27 0.00 0.00 36.82 39.16 2rml h ILE 92 CO -0.05 0.80 0.61 -0.08 -1.05 0.00 0.00 178.15 178.39 2rml h GLU 93 N 0.04 0.66 -0.30 0.16 4.81 -0.76 0.77 114.58 119.96 2rml h GLU 93 Ca -0.19 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2rml h GLU 93 Cb 1.95 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 31.17 2rml h GLU 93 CO 0.14 0.44 0.20 -0.22 -0.73 0.00 0.00 179.01 178.84 2rml h LYS 94 N 0.68 0.33 0.05 1.92 3.11 -1.74 -0.37 116.57 120.56 2rml h LYS 94 Ca 0.57 -0.02 -0.37 0.00 -2.81 0.00 0.00 60.65 58.03 2rml h LYS 94 Cb 1.00 -0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 32.11 2rml h LYS 94 CO -0.36 0.22 -2.20 -2.13 -2.81 0.00 0.00 179.45 172.17 2rml n ARG 95 N -4.49 0.70 -0.17 1.90 0.63 -0.46 -4.48 116.66 110.29 2rml n ARG 95 Ca 0.02 0.19 0.07 0.00 -0.92 0.00 0.00 57.85 57.21 2rml n ARG 95 Cb 0.12 -1.62 0.37 0.00 0.45 0.00 0.00 32.46 31.78 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2rml h LEU 96 N 0.03 0.64 -0.04 6.15 -0.00 -0.73 -1.55 115.31 119.81 2rml h LEU 96 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2rml h LEU 96 Cb 2.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 42.53 2rml h LEU 96 CO 0.01 0.41 -0.03 0.59 -0.00 0.00 0.00 178.44 179.43 2rml n ASN 97 N -4.48 -0.05 -3.58 -0.43 3.02 -0.16 -4.07 115.26 105.51 2rml n ASN 97 Ca 0.10 0.81 -0.29 0.00 -0.03 0.00 0.00 54.58 55.18 2rml n ASN 97 Cb 0.24 -0.38 -0.15 0.00 -0.61 0.00 0.00 39.78 38.88 2rml n ASN 97 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2rml s LYS 98 N -3.13 0.35 0.00 3.52 3.01 -0.66 -2.71 119.74 120.12 2rml s LYS 98 Ca -0.01 -0.73 0.14 0.00 -1.01 0.00 0.00 55.97 54.37 2rml s LYS 98 Cb 0.00 -1.37 0.69 0.00 -1.01 0.00 0.00 37.83 36.14 2rml s LYS 98 CO 0.03 -1.03 1.37 -0.89 0.51 0.00 0.00 175.35 175.34 2rml n ILE 99 N 5.06 0.64 -1.17 2.17 5.41 -0.76 -4.79 119.36 125.92 2rml n ILE 99 Ca -0.04 0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.87 2rml n ILE 99 Cb 0.42 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 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 -1.30 -3.29 0.00 0.38 0.00 -1.26 -4.91 120.64 110.27 2rml n GLU 100 Ca 0.06 2.38 0.00 0.00 0.00 0.00 0.00 57.16 59.61 2rml n GLU 100 Cb 0.11 -2.63 0.00 0.00 0.00 0.00 0.00 31.44 28.92 2rml n GLU 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rml n GLY 101 N -0.00 2.22 3.73 8.31 0.00 -1.26 -4.78 105.19 113.40 2rml n GLY 101 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.08 3.57 -0.24 1.61 1.01 -1.26 -0.95 120.40 124.05 2rml s VAL 102 Ca 0.00 1.25 -0.14 0.00 0.00 0.00 0.00 61.98 63.10 2rml s VAL 102 Cb 0.00 -3.80 -0.16 0.00 0.00 0.00 0.00 36.38 32.42 2rml s VAL 102 CO 0.00 0.17 -0.12 0.00 0.00 0.00 0.00 175.10 175.15 2rml n ALA 103 N 2.94 1.08 -3.13 5.51 0.00 0.57 -3.81 120.51 123.67 2rml n ALA 103 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 2rml n ALA 103 Cb 0.44 -0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 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 -7.16 -0.07 -0.30 0.00 0.01 -0.63 -4.64 114.94 102.16 2rml s ASN 104 Ca -0.34 -0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 51.78 2rml s ASN 104 Cb 0.11 0.28 0.19 0.00 0.41 0.00 0.00 41.25 42.23 2rml s ASN 104 CO 0.55 -0.31 0.68 0.00 -1.51 0.00 0.00 177.10 176.51 2rml s ALA 105 N -1.02 -2.51 -0.16 0.60 0.00 -1.21 -0.42 121.76 117.03 2rml s ALA 105 Ca -0.11 1.64 -0.24 0.00 0.00 0.00 0.00 51.96 53.25 2rml s ALA 105 Cb -0.06 -2.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 2rml s ALA 105 CO 0.02 -1.46 0.79 -1.25 0.00 0.00 0.00 175.76 173.86 2rml s PRO 106 N 2.87 4.30 -0.03 0.00 0.04 -1.24 -3.63 135.00 137.31 2rml s PRO 106 Ca 0.16 0.95 -0.18 0.00 0.04 0.00 0.00 61.00 61.97 2rml s PRO 106 Cb -0.13 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 2rml s PRO 106 CO -0.20 -0.27 0.50 0.08 0.04 0.00 0.00 177.00 177.14 2rml s VAL 107 N 1.95 5.01 -0.53 -0.36 1.01 -1.26 -3.28 120.40 122.93 2rml s VAL 107 Ca 0.37 1.02 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 2rml s VAL 107 Cb -0.17 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.43 2rml s VAL 107 CO 0.13 0.45 0.94 0.21 0.00 0.00 0.00 175.10 176.84 2rml s ASN 108 N -0.30 6.37 0.51 3.32 3.84 0.57 -4.93 114.94 124.32 2rml s ASN 108 Ca 0.27 -0.24 0.30 0.00 0.21 0.00 0.00 52.86 53.40 2rml s ASN 108 Cb -0.17 -2.44 1.08 0.00 -0.55 0.00 0.00 41.25 39.17 2rml s ASN 108 CO 0.14 -1.20 1.87 2.19 -2.79 0.00 0.00 177.10 177.32 2rml h PHE 109 N 9.27 0.00 0.00 0.43 -0.00 -1.93 -2.47 116.94 122.24 2rml h PHE 109 Ca -0.26 0.00 -0.15 0.00 -0.00 0.00 0.00 57.97 57.57 2rml h PHE 109 Cb 1.07 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.00 2rml h PHE 109 CO 0.91 0.00 -1.57 0.00 -0.00 0.00 0.00 178.31 177.65 2rml n ALA 110 N -2.08 1.82 0.58 12.09 0.00 -1.26 -3.99 120.51 127.68 2rml n ALA 110 Ca 0.02 -0.54 0.12 0.00 0.00 0.00 0.00 53.44 53.04 2rml n ALA 110 Cb 0.36 0.05 0.21 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.28 3.18 -2.52 0.00 4.77 -1.25 -4.99 117.00 113.91 2rml n LEU 111 Ca -0.13 -1.29 -0.21 0.00 -0.03 0.00 0.00 56.01 54.35 2rml n LEU 111 Cb 0.74 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2rml n LEU 111 CO 0.18 0.64 -0.19 -0.62 -1.33 0.00 0.00 177.39 176.08 2rml n GLU 112 N 1.35 -2.56 -4.42 3.23 1.02 -0.93 -4.94 120.64 113.38 2rml n GLU 112 Ca 0.18 0.97 -0.24 0.00 -0.02 0.00 0.00 57.16 58.04 2rml n GLU 112 Cb 0.58 -5.66 -0.08 0.00 -0.02 0.00 0.00 31.44 26.26 2rml n GLU 112 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2rml n THR 113 N -4.16 0.00 -3.74 2.62 -2.24 -1.20 -1.01 114.28 104.55 2rml n THR 113 Ca -0.21 -2.47 -0.13 0.00 -2.27 0.00 0.00 64.05 58.97 2rml n THR 113 Cb 0.67 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.80 2rml n THR 113 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2rml s VAL 114 N -3.22 0.02 -0.24 2.28 0.11 -0.03 -0.32 120.40 119.00 2rml s VAL 114 Ca 0.28 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 2rml s VAL 114 Cb 0.01 -0.59 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 2rml s VAL 114 CO 0.20 -0.09 0.17 -0.89 -3.33 0.00 0.00 175.10 171.16 2rml s THR 115 N -0.39 5.35 -0.03 5.04 2.01 -1.21 -1.39 115.64 125.03 2rml s THR 115 Ca -0.05 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.22 2rml s THR 115 Cb -0.03 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 2rml s THR 115 CO 0.02 0.34 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.37 2rml s VAL 116 N 1.11 1.85 -0.10 3.82 1.01 0.45 -3.62 120.40 124.92 2rml s VAL 116 Ca 0.08 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2rml s VAL 116 Cb -0.14 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.72 2rml s VAL 116 CO 0.05 0.52 -0.13 -0.70 0.00 0.00 0.00 175.10 174.84 2rml s GLU 117 N -0.40 1.95 0.15 2.72 2.12 0.44 -0.91 118.70 124.78 2rml s GLU 117 Ca 0.05 -0.46 -0.14 0.00 0.36 0.00 0.00 54.97 54.77 2rml s GLU 117 Cb -0.10 -1.70 0.02 0.00 0.26 0.00 0.00 34.13 32.61 2rml s GLU 117 CO 0.00 -0.08 0.40 1.52 -0.54 0.00 0.00 175.26 176.57 2rml s TYR 118 N 1.03 -0.02 -0.40 5.30 1.13 -0.34 -0.31 117.35 123.74 2rml s TYR 118 Ca -0.07 -0.32 -0.12 0.00 -1.41 0.00 0.00 57.07 55.15 2rml s TYR 118 Cb -0.15 0.21 0.03 0.00 -1.10 0.00 0.00 41.96 40.96 2rml s TYR 118 CO -0.01 -0.77 0.25 -0.80 -2.51 0.00 0.00 175.55 171.71 2rml s ASN 119 N -2.87 5.88 0.00 -0.18 0.02 -0.13 -1.47 114.94 116.19 2rml s ASN 119 Ca 0.08 -1.03 0.13 0.00 -1.02 0.00 0.00 52.86 51.02 2rml s ASN 119 Cb 0.01 -2.08 0.63 0.00 0.02 0.00 0.00 41.25 39.84 2rml s ASN 119 CO -0.06 -0.44 1.37 -0.81 0.02 0.00 0.00 177.10 177.18 2rml n PRO 120 N 5.06 0.12 0.00 -0.60 -0.04 -1.26 -2.90 135.00 135.37 2rml n PRO 120 Ca -0.11 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 2rml n PRO 120 Cb 0.46 -1.50 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 1.63 -0.04 0.00 0.00 175.50 177.09 2rml n LYS 121 N -1.36 0.28 0.00 0.54 4.76 -1.26 -4.36 118.16 116.75 2rml n LYS 121 Ca 0.05 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2rml n LYS 121 Cb 0.12 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 2rml n LYS 121 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2rml n GLU 122 N -1.29 0.00 -3.37 1.97 -0.58 -1.18 -5.10 120.64 111.09 2rml n GLU 122 Ca 0.09 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.45 2rml n GLU 122 Cb 0.16 -0.38 -0.07 0.00 -0.57 0.00 0.00 31.44 30.59 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 -1.00 3.54 0.51 0.62 0.00 -1.14 -5.04 121.76 119.23 2rml s ALA 123 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2rml s ALA 123 Cb 0.00 -2.63 -0.00 0.00 0.00 0.00 0.00 23.12 20.49 2rml s ALA 123 CO 0.00 -0.18 0.03 -1.12 0.00 0.00 0.00 175.76 174.49 2rml s SER 124 N 0.86 3.89 0.55 0.00 0.01 -1.26 -4.45 113.70 113.31 2rml s SER 124 Ca 0.21 -1.71 0.34 0.00 1.31 0.00 0.00 55.95 56.10 2rml s SER 124 Cb -0.15 0.66 1.40 0.00 0.21 0.00 0.00 66.02 68.15 2rml s SER 124 CO 0.08 -0.94 1.99 0.58 0.41 0.00 0.00 173.24 175.37 2rml h VAL 125 N 1.38 0.00 -0.07 3.43 2.07 -1.99 -2.23 116.25 118.83 2rml h VAL 125 Ca -0.42 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 66.65 2rml h VAL 125 Cb 1.32 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 2rml h VAL 125 CO 0.69 0.00 -0.32 0.28 0.02 0.00 0.00 177.57 178.24 2rml h SER 126 N 0.00 -0.97 -0.23 0.57 0.02 -1.99 -1.22 113.55 109.73 2rml h SER 126 Ca 0.00 0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 2rml h SER 126 Cb 0.49 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2rml h SER 126 CO 0.00 -0.37 -0.44 0.44 -1.14 0.00 0.00 176.83 175.32 2rml h ASP 127 N -0.43 0.86 -0.06 3.07 3.32 -1.81 0.73 116.42 122.09 2rml h ASP 127 Ca 0.08 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.73 2rml h ASP 127 Cb 0.55 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2rml h ASP 127 CO -0.31 1.17 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.28 2rml h LEU 128 N 0.64 -0.09 0.26 1.55 3.38 -1.57 -0.44 115.31 119.04 2rml h LEU 128 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2rml h LEU 128 Cb 1.01 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2rml h LEU 128 CO 0.10 -0.04 -0.17 0.11 0.09 0.00 0.00 178.44 178.53 2rml h LYS 129 N -0.02 -0.41 -0.59 1.13 1.79 -0.92 -2.90 116.57 114.65 2rml h LYS 129 Ca 0.04 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.58 2rml h LYS 129 Cb 0.07 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 2rml h LYS 129 CO -0.08 -0.27 0.39 0.93 -1.08 0.00 0.00 179.45 179.34 2rml h GLU 130 N -0.43 0.62 -0.62 3.15 5.08 -0.70 0.11 114.58 121.79 2rml h GLU 130 Ca -0.02 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2rml h GLU 130 Cb 0.36 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2rml h GLU 130 CO 0.02 0.41 0.11 0.00 -1.00 0.00 0.00 179.01 178.55 2rml h ALA 131 N 1.67 1.02 0.01 3.43 0.00 -1.02 -3.26 119.26 121.11 2rml h ALA 131 Ca 0.25 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 2rml h ALA 131 Cb 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2rml h ALA 131 CO -0.07 0.63 -1.51 0.28 0.00 0.00 0.00 179.25 178.58 2rml h VAL 132 N 0.95 1.10 -0.81 0.00 2.07 -1.09 -3.37 116.25 115.10 2rml h VAL 132 Ca 0.19 -2.90 0.02 0.00 0.82 0.00 0.00 66.70 64.84 2rml h VAL 132 Cb 0.40 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 2rml h VAL 132 CO 0.01 0.65 0.53 -0.78 0.02 0.00 0.00 177.57 178.00 2rml h ASP 133 N 0.01 0.90 0.25 0.57 3.58 -0.87 -1.57 116.42 119.28 2rml h ASP 133 Ca -0.21 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.19 2rml h ASP 133 Cb 1.95 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.78 2rml h ASP 133 CO 0.10 0.64 -0.15 0.50 -2.88 0.00 0.00 179.24 177.45 2rml h LYS 134 N 1.05 0.00 0.18 0.28 1.63 -1.72 -2.12 116.57 115.87 2rml h LYS 134 Ca 0.31 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.78 2rml h LYS 134 Cb -0.06 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.59 2rml h LYS 134 CO -0.08 0.15 -1.55 -0.07 -3.45 0.00 0.00 179.45 174.45 2rml h LEU 135 N 0.00 0.60 0.00 5.20 -0.00 -1.60 -3.49 115.31 116.02 2rml h LEU 135 Ca -0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 57.12 2rml h LEU 135 Cb 0.31 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2rml h LEU 135 CO 0.02 1.62 0.00 0.61 -0.00 0.00 0.00 178.44 180.69 2rml n GLY 136 N 1.73 1.97 0.00 0.83 0.00 -0.65 -5.14 105.19 103.93 2rml n GLY 136 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2rml n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rml n TYR 137 N -0.63 0.00 -3.39 1.61 4.01 -1.22 -4.96 117.16 112.57 2rml n TYR 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2rml n TYR 137 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.00 -4.63 -0.72 0.00 -0.23 -4.81 118.16 107.76 2rml n LYS 138 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2rml n LYS 138 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 34.89 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 2.12 0.04 -5.58 1.43 -1.26 -4.18 118.68 111.26 2rml s LEU 139 Ca 0.00 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 2rml s LEU 139 Cb 0.00 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.34 2rml s LEU 139 CO 0.00 0.15 -0.16 -0.54 0.23 0.00 0.00 176.35 176.02 2rml s LYS 140 N -0.91 1.08 0.15 1.70 1.02 -0.55 -4.99 119.74 117.24 2rml s LYS 140 Ca 0.06 -0.83 -0.16 0.00 0.02 0.00 0.00 55.97 55.05 2rml s LYS 140 Cb -0.08 -1.13 -0.07 0.00 -0.52 0.00 0.00 37.83 36.03 2rml s LYS 140 CO 0.01 0.28 0.59 -0.51 -0.92 0.00 0.00 175.35 174.80 2rml s LEU 141 N -1.19 4.38 -0.25 3.17 1.43 -1.26 -0.66 118.68 124.28 2rml s LEU 141 Ca 0.03 1.18 -0.16 0.00 -1.03 0.00 0.00 54.13 54.16 2rml s LEU 141 Cb -0.08 -3.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 2rml s LEU 141 CO 0.02 0.12 0.42 -0.75 0.23 0.00 0.00 176.35 176.39 2rml s LYS 142 N -1.80 4.07 0.00 1.70 2.47 -1.09 -0.39 119.74 124.70 2rml s LYS 142 Ca 0.37 0.16 0.00 0.00 -1.56 0.00 0.00 55.97 54.94 2rml s LYS 142 Cb -0.16 -3.63 0.00 0.00 -1.46 0.00 0.00 37.83 32.58 2rml s LYS 142 CO 0.19 -0.25 0.00 0.41 0.16 0.00 0.00 175.35 175.87 2rml n GLY 143 N 4.43 2.68 0.00 5.54 0.00 0.12 -4.82 105.19 113.15 2rml n GLY 143 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 3.44 0.00 1.61 2.13 -1.19 -4.81 120.64 119.81 2rml n GLU 144 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2rml n GLU 144 Cb 0.00 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.27 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 -0.63 0.00 0.14 5.31 6.02 -0.30 -4.87 117.38 123.05 2rml n GLN 145 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 2rml n GLN 145 Cb 0.00 -0.24 0.03 0.00 1.02 0.00 0.00 30.24 31.06 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 -1.05 -3.47 116.42 116.57 2rml h ASP 146 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 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 0.38 0.00 -1.20 -2.88 0.00 0.00 179.24 175.54