#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 0.18 -0.95 4.03 2.96 -1.26 -5.08 118.68 118.57 2rml s LEU 2 Ca 0.00 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2rml s LEU 2 Cb 0.00 -0.00 0.33 0.00 0.50 0.00 0.00 46.19 47.01 2rml s LEU 2 CO 0.00 -0.35 1.69 -0.24 -1.32 0.00 0.00 176.35 176.13 2rml n SER 3 N 5.29 6.90 -3.52 3.68 2.88 -1.26 -4.90 113.62 122.70 2rml n SER 3 Ca -0.06 -3.70 -0.11 0.00 -1.33 0.00 0.00 58.87 53.67 2rml n SER 3 Cb 0.49 -1.06 -0.04 0.00 -0.75 0.00 0.00 64.21 62.85 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 -4.19 0.86 0.17 -1.46 -1.05 -1.26 -5.19 118.70 106.59 2rml s GLU 4 Ca 0.41 -0.11 0.06 0.00 -0.15 0.00 0.00 54.97 55.19 2rml s GLU 4 Cb 0.22 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.26 2rml s GLU 4 CO -0.14 -0.33 -0.13 -0.65 0.95 0.00 0.00 175.26 174.96 2rml s GLN 5 N -2.32 1.20 0.26 -4.83 -0.21 -1.26 -4.64 119.66 107.85 2rml s GLN 5 Ca -0.00 -1.50 0.10 0.00 0.02 0.00 0.00 55.36 53.98 2rml s GLN 5 Cb -0.01 -0.91 -0.05 0.00 1.00 0.00 0.00 33.01 33.05 2rml s GLN 5 CO -0.03 0.14 -0.08 0.15 -2.12 0.00 0.00 175.29 173.35 2rml s LYS 6 N -3.58 2.05 0.05 2.91 3.01 -0.48 -4.95 119.74 118.75 2rml s LYS 6 Ca 0.19 -1.53 0.08 0.00 -1.01 0.00 0.00 55.97 53.71 2rml s LYS 6 Cb 0.00 -2.02 -0.03 0.00 -1.01 0.00 0.00 37.83 34.77 2rml s LYS 6 CO 0.04 0.36 -0.24 -1.83 0.51 0.00 0.00 175.35 174.19 2rml s GLU 7 N -3.53 1.59 0.02 1.68 -1.05 -1.26 -1.48 118.70 114.67 2rml s GLU 7 Ca 0.30 -1.04 -0.01 0.00 -0.15 0.00 0.00 54.97 54.06 2rml s GLU 7 Cb -0.06 -1.76 -0.02 0.00 -0.44 0.00 0.00 34.13 31.86 2rml s GLU 7 CO 0.18 0.45 0.00 0.42 0.95 0.00 0.00 175.26 177.26 2rml s ILE 8 N -0.81 0.11 -0.03 1.83 1.09 -0.48 -5.02 121.20 117.88 2rml s ILE 8 Ca 0.10 -0.90 0.06 0.00 -1.10 0.00 0.00 60.65 58.81 2rml s ILE 8 Cb -0.09 -0.34 -0.01 0.00 -1.06 0.00 0.00 42.46 40.96 2rml s ILE 8 CO 0.02 -0.49 -0.20 0.00 -0.10 0.00 0.00 174.94 174.17 2rml s ALA 9 N -1.53 1.72 0.02 9.38 0.00 -1.26 -0.29 121.76 129.80 2rml s ALA 9 Ca -0.15 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 2rml s ALA 9 Cb -0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2rml s ALA 9 CO -0.01 0.37 0.00 -1.64 0.00 0.00 0.00 175.76 174.48 2rml s MET 10 N -0.25 0.37 -0.14 0.00 -1.94 -0.23 -2.18 119.30 114.94 2rml s MET 10 Ca 0.02 -0.61 -0.10 0.00 -1.71 0.00 0.00 55.69 53.29 2rml s MET 10 Cb -0.10 0.14 -0.05 0.00 2.01 0.00 0.00 34.83 36.83 2rml s MET 10 CO 0.01 -0.07 0.21 -1.14 -0.01 0.00 0.00 175.02 174.02 2rml s GLN 11 N -1.62 3.89 -0.06 2.03 -0.44 -1.26 -0.52 119.66 121.67 2rml s GLN 11 Ca -0.14 -0.03 -0.00 0.00 -2.50 0.00 0.00 55.36 52.68 2rml s GLN 11 Cb -0.08 -3.31 0.03 0.00 -1.64 0.00 0.00 33.01 28.00 2rml s GLN 11 CO -0.01 0.52 -0.02 0.54 0.50 0.00 0.00 175.29 176.82 2rml s VAL 12 N -0.33 0.48 -0.15 1.34 0.11 -1.04 -1.56 120.40 119.25 2rml s VAL 12 Ca 0.15 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.94 2rml s VAL 12 Cb -0.13 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2rml s VAL 12 CO 0.04 0.25 0.86 -0.44 -3.33 0.00 0.00 175.10 172.48 2rml s SER 13 N 1.53 7.02 0.00 3.54 0.01 0.55 -4.42 113.70 121.94 2rml s SER 13 Ca -0.01 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2rml s SER 13 Cb -0.13 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2rml s SER 13 CO -0.03 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2rml n GLY 14 N 3.35 0.13 0.90 3.44 0.00 -1.26 -1.61 105.19 110.14 2rml n GLY 14 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 2.16 -1.08 1.61 2.81 -1.26 -4.74 117.12 116.61 2rml n MET 15 Ca 0.00 -1.74 -0.40 0.00 -1.81 0.00 0.00 57.70 53.75 2rml n MET 15 Cb 0.00 -1.39 -0.05 0.00 -0.71 0.00 0.00 33.22 31.07 2rml n MET 15 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2rml n THR 16 N 0.89 1.89 0.00 2.03 -2.24 -1.26 -1.26 114.28 114.32 2rml n THR 16 Ca 0.16 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.39 2rml n THR 16 Cb 0.42 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rml n ALA 18 N 0.00 0.00 0.23 0.00 0.00 -0.39 -4.57 120.51 115.78 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 0.77 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.93 0.00 0.00 -1.98 0.27 119.26 117.62 2rml h ALA 19 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 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 0.54 0.00 0.00 0.00 0.00 179.25 179.79 2rml h ALA 21 N 1.57 -0.51 -0.82 0.00 0.00 -1.26 -0.40 119.26 117.84 2rml h ALA 21 Ca 0.50 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.48 2rml h ALA 21 Cb 0.67 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 2rml h ALA 21 CO -0.34 -0.83 0.53 0.00 0.00 0.00 0.00 179.25 178.61 2rml h ALA 22 N 0.15 1.87 -0.02 0.00 0.00 -1.55 0.20 119.26 119.91 2rml h ALA 22 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2rml h ALA 22 Cb 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2rml h ALA 22 CO -0.13 -0.08 -0.69 0.00 0.00 0.00 0.00 179.25 178.36 2rml h ARG 23 N 0.64 0.10 -0.01 0.00 2.47 -0.91 -1.82 114.38 114.86 2rml h ARG 23 Ca 0.40 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 59.03 2rml h ARG 23 Cb 0.65 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2rml h ARG 23 CO -0.16 0.75 -0.01 0.82 0.56 0.00 0.00 179.97 181.93 2rml h ILE 24 N 0.07 1.46 0.65 2.04 2.04 0.69 -1.56 117.51 122.89 2rml h ILE 24 Ca -0.01 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 2rml h ILE 24 Cb 1.22 2.39 0.01 0.00 -0.74 0.00 0.00 36.82 39.70 2rml h ILE 24 CO 0.10 0.36 -0.31 -0.33 0.00 0.00 0.00 178.15 177.97 2rml h GLU 25 N -0.56 -0.84 0.00 2.37 5.08 -0.76 0.53 114.58 120.40 2rml h GLU 25 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2rml h GLU 25 Cb 0.59 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2rml h GLU 25 CO 0.00 -0.53 0.00 1.17 -1.00 0.00 0.00 179.01 178.65 2rml n LYS 26 N -5.43 0.03 0.17 2.33 4.81 -0.68 -1.13 118.16 118.25 2rml n LYS 26 Ca -0.13 0.31 -0.08 0.00 -0.87 0.00 0.00 58.31 57.54 2rml n LYS 26 Cb 0.36 -1.55 -0.04 0.00 0.02 0.00 0.00 35.03 33.82 2rml n LYS 26 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2rml h GLY 27 N 2.12 -0.54 0.80 3.14 0.00 -0.13 -3.37 103.07 105.09 2rml h GLY 27 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 2rml h GLY 27 CO 0.00 -0.20 -0.05 1.41 0.00 0.00 0.00 176.54 177.70 2rml h LEU 28 N -1.11 0.39 0.00 3.11 -0.00 -0.86 -3.33 115.31 113.52 2rml h LEU 28 Ca -0.05 -0.37 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2rml h LEU 28 Cb 0.40 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 2rml h LEU 28 CO 0.09 0.68 0.00 1.17 -0.00 0.00 0.00 178.44 180.37 2rml n LYS 29 N -4.62 0.30 0.00 1.13 4.81 -0.28 -0.64 118.16 118.86 2rml n LYS 29 Ca -0.05 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.51 2rml n LYS 29 Cb 0.28 -1.26 0.22 0.00 0.02 0.00 0.00 35.03 34.30 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 -0.76 0.58 -2.51 1.64 1.74 -1.25 -4.96 116.66 111.13 2rml n ARG 30 Ca 0.04 -0.38 -0.41 0.00 -0.77 0.00 0.00 57.85 56.32 2rml n ARG 30 Cb 0.02 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 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 -2.69 4.59 0.51 5.56 -1.94 0.18 -4.95 119.30 120.56 2rml s MET 31 Ca 0.18 1.71 0.21 0.00 -1.71 0.00 0.00 55.69 56.08 2rml s MET 31 Cb 0.18 -3.28 1.35 0.00 2.01 0.00 0.00 34.83 35.09 2rml s MET 31 CO 0.62 0.06 2.11 -1.00 -0.01 0.00 0.00 175.02 176.79 2rml h PRO 32 N 5.22 0.00 -0.81 2.03 0.13 -1.90 -2.78 132.00 133.89 2rml h PRO 32 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 2rml h PRO 32 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2rml h PRO 32 CO 0.73 0.08 0.08 0.41 -0.23 0.00 0.00 178.00 179.07 2rml n GLY 33 N -1.16 2.59 3.19 1.56 0.00 -1.26 -4.89 105.19 105.22 2rml n GLY 33 Ca -0.03 -0.55 -0.23 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 -1.99 1.36 -0.19 1.61 0.11 -1.05 -0.89 120.40 119.35 2rml s VAL 34 Ca 0.32 -1.07 0.02 0.00 -2.93 0.00 0.00 61.98 58.32 2rml s VAL 34 Cb 0.25 -1.20 -0.12 0.00 -1.53 0.00 0.00 36.38 33.77 2rml s VAL 34 CO 0.09 0.11 -0.16 0.41 -3.33 0.00 0.00 175.10 172.21 2rml n THR 35 N 1.92 1.08 -3.69 5.04 -1.04 -0.03 -4.89 114.28 112.67 2rml n THR 35 Ca -0.17 -0.42 -0.14 0.00 -2.04 0.00 0.00 64.05 61.28 2rml n THR 35 Cb 0.54 -1.16 -0.07 0.00 -1.82 0.00 0.00 70.33 67.82 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 -5.81 -0.30 -0.12 8.00 -1.08 -0.61 -5.01 116.67 111.74 2rml s ASP 36 Ca -0.25 0.14 -0.07 0.00 -0.52 0.00 0.00 52.55 51.85 2rml s ASP 36 Cb 0.07 0.39 0.05 0.00 -1.46 0.00 0.00 42.92 41.96 2rml s ASP 36 CO 0.44 -0.56 0.29 0.00 0.52 0.00 0.00 175.17 175.85 2rml s ALA 37 N -1.80 -0.68 -0.24 3.66 0.00 -1.26 -0.68 121.76 120.76 2rml s ALA 37 Ca -0.10 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 2rml s ALA 37 Cb -0.02 -0.66 0.07 0.00 0.00 0.00 0.00 23.12 22.50 2rml s ALA 37 CO 0.02 -0.20 0.62 0.54 0.00 0.00 0.00 175.76 176.75 2rml s ASN 38 N 1.08 -0.75 0.38 0.00 2.20 -0.19 -4.81 114.94 112.85 2rml s ASN 38 Ca -0.08 1.31 -0.20 0.00 -0.94 0.00 0.00 52.86 52.96 2rml s ASN 38 Cb -0.08 1.25 -0.10 0.00 -2.00 0.00 0.00 41.25 40.32 2rml s ASN 38 CO -0.08 -0.22 0.88 0.54 -2.94 0.00 0.00 177.10 175.28 2rml s VAL 39 N 0.99 4.47 -0.15 3.54 0.11 -1.26 -1.00 120.40 127.10 2rml s VAL 39 Ca -0.05 1.35 -0.19 0.00 -2.93 0.00 0.00 61.98 60.16 2rml s VAL 39 Cb -0.05 -3.65 -0.24 0.00 -1.53 0.00 0.00 36.38 30.91 2rml s VAL 39 CO -0.09 -0.22 0.45 -1.13 -3.33 0.00 0.00 175.10 170.78 2rml h ASN 40 N 2.19 0.18 0.00 3.54 -0.73 -1.27 -3.47 115.58 116.02 2rml h ASN 40 Ca -0.48 -0.75 0.00 0.00 1.87 0.00 0.00 56.30 56.94 2rml h ASN 40 Cb 1.18 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.71 2rml h ASN 40 CO 0.63 1.49 0.00 -0.11 -0.37 0.00 0.00 177.43 179.07 2rml n LEU 41 N -4.19 0.00 -0.25 0.34 0.00 -1.22 -4.60 117.00 107.08 2rml n LEU 41 Ca -0.26 0.00 0.07 0.00 0.00 0.00 0.00 56.01 55.82 2rml n LEU 41 Cb 0.76 0.00 0.32 0.00 0.00 0.00 0.00 43.42 44.50 2rml n LEU 41 CO 0.32 0.00 1.23 0.00 0.00 0.00 0.00 177.39 178.93 2rml h ALA 42 N 0.00 1.66 -0.05 1.96 0.00 -1.94 0.19 119.26 121.07 2rml h ALA 42 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rml h ALA 42 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2rml h ALA 42 CO 0.00 0.19 -0.04 -2.37 0.00 0.00 0.00 179.25 177.03 2rml n THR 43 N -4.50 2.00 -2.75 0.00 5.66 -1.26 -5.03 114.28 108.40 2rml n THR 43 Ca 0.13 -2.29 -0.14 0.00 -3.05 0.00 0.00 64.05 58.71 2rml n THR 43 Cb 0.27 -0.24 0.02 0.00 -1.55 0.00 0.00 70.33 68.83 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2rml n GLU 44 N -1.26 -3.09 -3.76 1.09 2.13 0.05 -4.97 120.64 110.85 2rml n GLU 44 Ca 0.18 0.55 -0.29 0.00 0.66 0.00 0.00 57.16 58.25 2rml n GLU 44 Cb 0.70 -4.65 -0.04 0.00 0.27 0.00 0.00 31.44 27.72 2rml n GLU 44 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2rml s THR 45 N -2.94 5.24 0.01 6.31 2.01 -1.26 -2.51 115.64 122.51 2rml s THR 45 Ca 0.19 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 61.99 2rml s THR 45 Cb -0.09 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2rml s THR 45 CO 0.24 -0.03 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.42 2rml s SER 46 N -2.79 3.85 -0.10 3.53 0.15 0.32 -0.69 113.70 117.97 2rml s SER 46 Ca 0.38 -0.36 0.04 0.00 0.70 0.00 0.00 55.95 56.71 2rml s SER 46 Cb -0.12 -0.67 -0.00 0.00 -1.71 0.00 0.00 66.02 63.52 2rml s SER 46 CO 0.27 0.28 -0.23 0.20 1.20 0.00 0.00 173.24 174.96 2rml s ASN 47 N -1.23 3.16 -0.02 5.45 0.01 -0.17 -1.06 114.94 121.08 2rml s ASN 47 Ca 0.14 -0.54 0.02 0.00 -0.71 0.00 0.00 52.86 51.76 2rml s ASN 47 Cb -0.11 -1.40 0.01 0.00 0.41 0.00 0.00 41.25 40.16 2rml s ASN 47 CO 0.04 0.16 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.05 2rml s VAL 48 N 0.32 0.48 -0.14 1.60 1.01 0.60 -1.03 120.40 123.23 2rml s VAL 48 Ca -0.18 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2rml s VAL 48 Cb -0.18 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.78 2rml s VAL 48 CO 0.08 0.17 -0.11 -0.63 0.00 0.00 0.00 175.10 174.61 2rml s ILE 49 N 0.33 1.38 0.21 2.22 1.09 0.15 -1.38 121.20 125.18 2rml s ILE 49 Ca -0.04 -0.55 -0.08 0.00 -1.10 0.00 0.00 60.65 58.89 2rml s ILE 49 Cb -0.08 -1.34 -0.02 0.00 -1.06 0.00 0.00 42.46 39.96 2rml s ILE 49 CO -0.00 0.39 0.30 -0.72 -0.10 0.00 0.00 174.94 174.81 2rml s TYR 50 N 1.56 0.64 -0.22 3.97 1.13 -0.55 -0.85 117.35 123.03 2rml s TYR 50 Ca 0.04 -0.96 -0.15 0.00 -1.41 0.00 0.00 57.07 54.60 2rml s TYR 50 Cb -0.13 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.55 2rml s TYR 50 CO -0.10 -0.79 0.35 0.34 -2.51 0.00 0.00 175.55 172.85 2rml s ASP 51 N -3.05 6.35 -0.01 -0.18 -1.08 -0.07 -1.38 116.67 117.25 2rml s ASP 51 Ca 0.26 0.41 0.02 0.00 -0.52 0.00 0.00 52.55 52.73 2rml s ASP 51 Cb 0.03 -2.21 0.08 0.00 -1.46 0.00 0.00 42.92 39.36 2rml s ASP 51 CO 0.07 -0.07 0.98 -0.81 0.52 0.00 0.00 175.17 175.87 2rml n PRO 52 N 4.58 1.24 -0.04 4.34 -0.04 -1.26 -3.15 135.00 140.67 2rml n PRO 52 Ca -0.09 -0.32 -0.07 0.00 -0.04 0.00 0.00 63.50 62.98 2rml n PRO 52 Cb 0.51 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.19 2.01 1.94 0.55 0.00 -1.26 -4.70 120.51 118.85 2rml n ALA 53 Ca 0.03 -0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.27 2rml n ALA 53 Cb 0.13 0.34 0.86 0.00 0.00 0.00 0.00 19.45 20.77 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 -2.93 0.97 -4.20 0.00 -0.58 -1.24 -4.84 120.64 107.82 2rml n GLU 54 Ca -0.15 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.42 2rml n GLU 54 Cb 0.64 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.98 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 -2.00 0.00 0.07 2.62 -1.32 -1.19 -4.36 115.64 109.47 2rml s THR 55 Ca 0.43 -1.85 -0.10 0.00 -1.21 0.00 0.00 61.69 58.96 2rml s THR 55 Cb 0.20 -2.54 0.01 0.00 -1.51 0.00 0.00 72.50 68.65 2rml s THR 55 CO 0.33 0.00 0.22 -0.83 -2.21 0.00 0.00 174.62 172.14 2rml s GLY 56 N -3.30 0.02 0.27 6.08 0.00 -1.26 -4.80 107.32 104.33 2rml s GLY 56 Ca 0.37 -0.41 0.05 0.00 0.00 0.00 0.00 44.72 44.73 2rml s GLY 56 CO 0.23 -0.60 1.64 0.00 0.00 0.00 0.00 173.10 174.37 2rml h THR 57 N 2.96 1.34 0.00 0.90 1.03 -2.00 -1.99 112.91 115.15 2rml h THR 57 Ca -0.33 -1.70 -0.12 0.00 -0.01 0.00 0.00 66.41 64.25 2rml h THR 57 Cb 1.20 1.80 -0.02 0.00 -1.07 0.00 0.00 68.15 70.06 2rml h THR 57 CO 0.52 0.51 -0.85 0.00 -0.01 0.00 0.00 175.52 175.69 2rml h ALA 58 N 1.29 0.66 -0.02 0.00 0.00 -2.00 -3.34 119.26 115.86 2rml h ALA 58 Ca 0.01 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2rml h ALA 58 Cb 0.93 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2rml h ALA 58 CO 0.08 0.69 -0.50 0.00 0.00 0.00 0.00 179.25 179.52 2rml h ALA 59 N 1.50 1.15 -0.06 0.00 0.00 -1.79 -0.61 119.26 119.45 2rml h ALA 59 Ca -0.06 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 2rml h ALA 59 Cb 1.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2rml h ALA 59 CO 0.05 0.63 -0.66 -0.84 0.00 0.00 0.00 179.25 178.43 2rml h ILE 60 N 0.03 1.40 -0.06 0.00 3.07 -1.64 -2.47 117.51 117.84 2rml h ILE 60 Ca -0.00 -2.10 -0.24 0.00 1.55 0.00 0.00 64.86 64.07 2rml h ILE 60 Cb 0.89 2.08 0.01 0.00 -0.27 0.00 0.00 36.82 39.53 2rml h ILE 60 CO 0.07 0.62 -0.91 0.06 -1.05 0.00 0.00 178.15 176.94 2rml h GLN 61 N 0.19 0.66 -0.95 0.16 3.07 -1.51 -3.01 115.11 113.72 2rml h GLN 61 Ca -0.01 -0.63 0.08 0.00 0.09 0.00 0.00 58.65 58.18 2rml h GLN 61 Cb 1.20 0.16 -0.07 0.00 0.08 0.00 0.00 27.48 28.84 2rml h GLN 61 CO 0.10 1.23 0.60 1.49 0.09 0.00 0.00 178.83 182.35 2rml h GLU 62 N 0.41 1.01 0.00 0.06 4.57 -1.21 -0.89 114.58 118.52 2rml h GLU 62 Ca -0.09 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2rml h GLU 62 Cb 1.54 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2rml h GLU 62 CO 0.18 0.67 0.00 1.17 -1.18 0.00 0.00 179.01 179.84 2rml n LYS 63 N -4.59 0.13 -0.07 1.92 3.00 -0.93 -0.57 118.16 117.06 2rml n LYS 63 Ca 0.16 0.49 -0.18 0.00 -0.00 0.00 0.00 58.31 58.78 2rml n LYS 63 Cb 0.24 -1.83 -0.13 0.00 0.00 0.00 0.00 35.03 33.32 2rml n LYS 63 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2rml h ILE 64 N 0.00 1.34 0.00 3.15 2.04 -1.12 -3.37 117.51 119.55 2rml h ILE 64 Ca 0.00 -2.29 -0.01 0.00 1.00 0.00 0.00 64.86 63.55 2rml h ILE 64 Cb 0.18 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2rml h ILE 64 CO 0.00 0.51 -0.05 -0.33 0.00 0.00 0.00 178.15 178.28 2rml h GLU 65 N -0.89 0.00 0.00 2.37 4.39 -0.97 -1.60 114.58 117.88 2rml h GLU 65 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2rml h GLU 65 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2rml h GLU 65 CO -0.07 0.05 0.06 1.63 -1.16 0.00 0.00 179.01 179.52 2rml n LYS 66 N -3.78 0.00 0.00 2.33 4.76 0.27 -1.01 118.16 120.73 2rml n LYS 66 Ca -0.03 0.39 0.09 0.00 -2.87 0.00 0.00 58.31 55.89 2rml n LYS 66 Cb 0.14 -1.56 -0.05 0.00 -1.84 0.00 0.00 35.03 31.72 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 -1.38 1.34 0.00 -0.35 7.99 -0.60 -5.03 117.00 118.96 2rml n LEU 67 Ca 0.00 -0.64 0.00 0.00 -0.01 0.00 0.00 56.01 55.36 2rml n LEU 67 Cb 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 2rml n LEU 67 CO 0.00 0.28 0.00 0.61 -1.51 0.00 0.00 177.39 176.77 2rml n GLY 68 N 1.32 0.79 0.00 -0.72 0.00 -0.18 -5.10 105.19 101.30 2rml n GLY 68 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.07 -2.94 -3.89 1.61 4.01 -1.26 -5.06 117.16 107.56 2rml n TYR 69 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 2rml n TYR 69 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 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 -0.85 3.63 0.14 -0.72 3.76 -0.63 -4.89 115.29 115.72 2rml s HIS 70 Ca 0.00 -2.60 -0.31 0.00 -0.15 0.00 0.00 55.06 51.99 2rml s HIS 70 Cb 0.00 -3.00 -0.10 0.00 1.11 0.00 0.00 32.58 30.58 2rml s HIS 70 CO 0.00 -0.95 1.75 0.54 -0.85 0.00 0.00 174.74 175.23 2rml s VAL 71 N 1.06 2.50 -0.30 -0.90 0.11 -1.26 -0.33 120.40 121.27 2rml s VAL 71 Ca 0.08 0.15 -0.02 0.00 -2.93 0.00 0.00 61.98 59.26 2rml s VAL 71 Cb -0.21 -3.10 0.10 0.00 -1.53 0.00 0.00 36.38 31.64 2rml s VAL 71 CO -0.05 0.00 2.42 1.33 -3.33 0.00 0.00 175.10 175.47 2rml n VAL 72 N 4.47 2.91 -2.96 2.04 0.24 -0.60 -4.87 118.33 119.56 2rml n VAL 72 Ca 0.17 -1.98 -0.41 0.00 -2.04 0.00 0.00 64.34 60.08 2rml n VAL 72 Cb 0.38 -1.50 -0.05 0.00 -1.47 0.00 0.00 33.84 31.20 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 -1.76 4.90 0.09 3.34 -4.23 -1.26 -4.15 115.64 112.58 2rml s THR 73 Ca 0.41 1.46 0.06 0.00 -1.18 0.00 0.00 61.69 62.44 2rml s THR 73 Cb 0.28 -4.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 2rml s THR 73 CO -0.07 0.00 -0.16 -0.70 -0.54 0.00 0.00 174.62 173.15 2rml s GLU 74 N 2.42 0.95 0.01 3.99 2.12 -0.56 -4.88 118.70 122.73 2rml s GLU 74 Ca 0.34 -1.07 -0.03 0.00 0.36 0.00 0.00 54.97 54.56 2rml s GLU 74 Cb -0.16 -1.00 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 2rml s GLU 74 CO 0.09 0.22 0.21 -1.59 -0.54 0.00 0.00 175.26 173.66 2rml s LYS 75 N -1.98 3.48 0.03 4.30 -2.85 -1.26 -1.51 119.74 119.95 2rml s LYS 75 Ca 0.03 -0.26 -0.01 0.00 -1.00 0.00 0.00 55.97 54.73 2rml s LYS 75 Cb -0.09 -3.07 -0.02 0.00 -2.06 0.00 0.00 37.83 32.58 2rml s LYS 75 CO 0.03 0.65 -0.02 0.00 0.10 0.00 0.00 175.35 176.11 2rml s ALA 76 N -1.35 0.17 0.00 0.59 0.00 0.09 -4.99 121.76 116.27 2rml s ALA 76 Ca 0.29 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.63 2rml s ALA 76 Cb -0.13 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2rml s ALA 76 CO 0.19 -0.21 -0.24 -1.21 0.00 0.00 0.00 175.76 174.29 2rml s GLU 77 N -1.97 1.87 0.08 0.00 2.02 -1.26 -0.53 118.70 118.90 2rml s GLU 77 Ca -0.11 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 53.98 2rml s GLU 77 Cb -0.06 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 2rml s GLU 77 CO -0.03 0.51 -0.08 -0.06 0.02 0.00 0.00 175.26 175.62 2rml s PHE 78 N -0.64 0.85 -0.17 1.61 0.40 -0.35 -2.74 117.98 116.94 2rml s PHE 78 Ca 0.10 -0.68 -0.03 0.00 -0.60 0.00 0.00 56.93 55.71 2rml s PHE 78 Cb -0.09 -0.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.92 2rml s PHE 78 CO -0.00 -0.08 -0.04 -0.51 0.70 0.00 0.00 175.22 175.28 2rml s ASP 79 N -2.30 4.59 1.01 1.36 1.11 0.27 -0.65 116.67 122.06 2rml s ASP 79 Ca 0.02 -0.22 -0.16 0.00 0.18 0.00 0.00 52.55 52.36 2rml s ASP 79 Cb -0.03 -1.76 0.21 0.00 1.07 0.00 0.00 42.92 42.42 2rml s ASP 79 CO -0.01 0.11 1.26 -0.63 1.18 0.00 0.00 175.17 177.08 2rml s ILE 80 N 0.70 1.91 -0.30 0.77 -1.09 0.53 -1.48 121.20 122.24 2rml s ILE 80 Ca -0.02 0.00 -0.19 0.00 -2.23 0.00 0.00 60.65 58.21 2rml s ILE 80 Cb -0.15 -2.87 0.19 0.00 -1.58 0.00 0.00 42.46 38.05 2rml s ILE 80 CO 0.02 0.00 1.27 -1.61 -1.23 0.00 0.00 174.94 173.39 2rml s GLU 81 N -5.75 0.05 0.00 2.79 2.02 -1.26 -4.82 118.70 111.74 2rml s GLU 81 Ca 0.72 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.83 2rml s GLU 81 Cb -0.06 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.24 2rml s GLU 81 CO 0.54 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.20 2rml n GLY 82 N 4.68 0.95 3.87 -1.39 0.00 -1.26 -3.71 105.19 108.33 2rml n GLY 82 Ca -0.07 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2rml n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2rml s MET 83 N 0.00 3.82 0.00 1.61 0.23 -1.26 -5.03 119.30 118.67 2rml s MET 83 Ca 0.00 0.50 0.00 0.00 -1.03 0.00 0.00 55.69 55.16 2rml s MET 83 Cb 0.00 -2.41 0.00 0.00 -1.53 0.00 0.00 34.83 30.89 2rml s MET 83 CO 0.00 0.01 0.00 0.25 -2.03 0.00 0.00 175.02 173.25 2rml n THR 84 N -1.08 0.00 -3.60 3.16 -2.24 -1.26 -5.06 114.28 104.20 2rml n THR 84 Ca 0.02 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.74 2rml n THR 84 Cb 0.54 1.57 -0.02 0.00 -2.10 0.00 0.00 70.33 70.32 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 1.69 -0.81 0.00 0.00 -1.97 0.20 119.26 120.38 2rml h ALA 86 Ca -0.23 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.74 2rml h ALA 86 Cb 1.24 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2rml h ALA 86 CO 0.29 0.23 0.53 0.00 0.00 0.00 0.00 179.25 180.29 2rml h ALA 87 N 1.64 1.70 -0.22 0.00 0.00 -1.98 0.54 119.26 120.93 2rml h ALA 87 Ca 0.26 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 2rml h ALA 87 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2rml h ALA 87 CO -0.07 0.15 -0.34 0.00 0.00 0.00 0.00 179.25 178.98 2rml h ALA 89 N 0.63 -0.60 -0.97 0.00 0.00 -1.19 -3.07 119.26 114.06 2rml h ALA 89 Ca 0.02 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2rml h ALA 89 Cb 0.93 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 2rml h ALA 89 CO 0.08 -0.86 0.62 -0.91 0.00 0.00 0.00 179.25 178.18 2rml h ASN 90 N -0.60 0.89 0.12 0.00 -0.26 -0.87 0.11 115.58 114.97 2rml h ASN 90 Ca -0.03 0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.72 2rml h ASN 90 Cb 0.52 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 2rml h ASN 90 CO 0.00 0.48 -0.14 0.03 -1.06 0.00 0.00 177.43 176.74 2rml h ARG 91 N 0.96 0.05 0.12 0.81 3.08 -1.15 -2.10 114.38 116.15 2rml h ARG 91 Ca 0.48 -0.01 -0.29 0.00 0.07 0.00 0.00 59.98 60.23 2rml h ARG 91 Cb 0.48 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2rml h ARG 91 CO -0.24 0.20 -1.47 -0.84 -1.07 0.00 0.00 179.97 176.55 2rml h ILE 92 N 0.05 1.00 -0.51 2.04 3.07 -1.37 -3.42 117.51 118.37 2rml h ILE 92 Ca 0.01 -2.41 0.07 0.00 1.55 0.00 0.00 64.86 64.09 2rml h ILE 92 Cb 0.29 2.71 -0.06 0.00 -0.27 0.00 0.00 36.82 39.48 2rml h ILE 92 CO 0.02 0.72 0.17 -0.08 -1.05 0.00 0.00 178.15 177.93 2rml h GLU 93 N -0.25 0.32 0.00 0.16 4.81 -0.47 -0.99 114.58 118.16 2rml h GLU 93 Ca -0.31 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2rml h GLU 93 Cb 1.80 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.11 2rml h GLU 93 CO 0.07 0.21 0.00 -0.22 -0.73 0.00 0.00 179.01 178.34 2rml h LYS 94 N 0.33 0.00 0.04 1.92 3.64 -1.64 0.15 116.57 121.02 2rml h LYS 94 Ca 0.25 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.26 2rml h LYS 94 Cb 0.29 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 2rml h LYS 94 CO -0.27 0.00 -2.24 0.54 -2.27 0.00 0.00 179.45 175.21 2rml n ARG 95 N -2.55 0.69 -0.04 1.90 5.12 -0.67 -4.62 116.66 116.48 2rml n ARG 95 Ca -0.01 0.18 -0.06 0.00 -1.93 0.00 0.00 57.85 56.03 2rml n ARG 95 Cb 0.09 -1.61 0.13 0.00 -1.16 0.00 0.00 32.46 29.92 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 0.02 0.66 -0.88 0.55 -0.00 -0.04 -3.34 115.31 112.29 2rml h LEU 96 Ca -0.50 -0.23 0.23 0.00 -0.00 0.00 0.00 57.88 57.38 2rml h LEU 96 Cb 2.00 -0.18 -0.15 0.00 -0.00 0.00 0.00 40.66 42.33 2rml h LEU 96 CO -0.00 0.88 0.13 -1.13 -0.00 0.00 0.00 178.44 178.33 2rml h ASN 97 N 0.57 -0.20 -2.20 -0.43 -0.00 -0.88 -3.21 115.58 109.23 2rml h ASN 97 Ca 0.08 0.22 -0.49 0.00 -0.00 0.00 0.00 56.30 56.11 2rml h ASN 97 Cb 0.72 0.34 -0.35 0.00 -0.00 0.00 0.00 38.32 39.03 2rml h ASN 97 CO 0.06 -0.22 -0.82 -0.54 -0.00 0.00 0.00 177.43 175.91 2rml s LYS 98 N -5.99 0.74 0.00 6.67 3.01 -1.26 -1.77 119.74 121.15 2rml s LYS 98 Ca -0.13 -1.47 0.00 0.00 -1.01 0.00 0.00 55.97 53.37 2rml s LYS 98 Cb 0.26 -1.08 0.00 0.00 -1.01 0.00 0.00 37.83 36.00 2rml s LYS 98 CO 0.77 -1.28 0.00 -0.89 0.51 0.00 0.00 175.35 174.46 2rml n ILE 99 N 3.56 0.00 -2.88 2.17 5.41 -1.21 -4.87 119.36 121.54 2rml n ILE 99 Ca 0.19 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.51 2rml n ILE 99 Cb 0.45 -1.71 -0.04 0.00 -0.71 0.00 0.00 39.64 37.62 2rml n ILE 99 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2rml s GLU 100 N -0.43 3.22 0.00 0.38 2.12 -1.26 -1.29 118.70 121.43 2rml s GLU 100 Ca 0.00 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.77 2rml s GLU 100 Cb 0.00 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.26 2rml s GLU 100 CO 0.00 -1.60 0.00 0.41 -0.54 0.00 0.00 175.26 173.53 2rml n GLY 101 N 5.21 0.63 3.78 -1.50 0.00 -0.93 -4.14 105.19 108.25 2rml n GLY 101 Ca -0.01 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2rml n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 102 N -2.00 5.34 -0.23 1.61 1.01 -0.41 -0.73 120.40 124.98 2rml s VAL 102 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.33 2rml s VAL 102 Cb 0.00 -3.55 -0.17 0.00 0.00 0.00 0.00 36.38 32.65 2rml s VAL 102 CO 0.00 0.48 -0.09 0.00 0.00 0.00 0.00 175.10 175.49 2rml n ALA 103 N 2.96 1.15 -2.92 5.51 0.00 0.30 -4.47 120.51 123.05 2rml n ALA 103 Ca -0.15 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.29 2rml n ALA 103 Cb 0.53 -0.21 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 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 -6.99 0.31 -0.31 0.00 0.02 -0.60 -4.66 114.94 102.71 2rml s ASN 104 Ca -0.33 -0.54 0.04 0.00 -1.02 0.00 0.00 52.86 51.02 2rml s ASN 104 Cb 0.10 0.10 0.20 0.00 0.02 0.00 0.00 41.25 41.67 2rml s ASN 104 CO 0.59 -0.31 0.65 0.00 0.02 0.00 0.00 177.10 178.06 2rml s ALA 105 N -1.61 -2.61 -0.06 0.60 0.00 -0.73 -0.42 121.76 116.94 2rml s ALA 105 Ca -0.14 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 2rml s ALA 105 Cb -0.09 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 2rml s ALA 105 CO -0.01 -1.92 0.41 -1.25 0.00 0.00 0.00 175.76 172.98 2rml s PRO 106 N 2.70 4.10 -0.12 0.00 0.04 -1.14 -4.01 135.00 136.56 2rml s PRO 106 Ca 0.13 0.36 -0.06 0.00 0.04 0.00 0.00 61.00 61.47 2rml s PRO 106 Cb -0.08 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2rml s PRO 106 CO -0.23 0.46 0.11 0.08 0.04 0.00 0.00 177.00 177.46 2rml s VAL 107 N -0.31 5.29 -0.00 -0.36 1.01 -1.26 -1.81 120.40 122.96 2rml s VAL 107 Ca 0.23 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 2rml s VAL 107 Cb -0.16 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 2rml s VAL 107 CO 0.11 0.60 0.49 0.21 0.00 0.00 0.00 175.10 176.50 2rml s ASN 108 N -0.87 6.88 0.00 3.32 3.84 0.26 -4.97 114.94 123.39 2rml s ASN 108 Ca 0.14 1.04 0.20 0.00 0.21 0.00 0.00 52.86 54.45 2rml s ASN 108 Cb -0.12 -2.30 0.15 0.00 -0.55 0.00 0.00 41.25 38.43 2rml s ASN 108 CO 0.03 0.23 1.12 2.22 -2.79 0.00 0.00 177.10 177.91 2rml n PHE 109 N 2.24 0.00 0.00 0.43 -1.74 -1.26 -3.95 117.46 113.17 2rml n PHE 109 Ca -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.78 2rml n PHE 109 Cb 0.52 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.52 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2rml n ALA 110 N 1.09 1.92 0.40 1.98 0.00 -1.26 -4.40 120.51 120.24 2rml n ALA 110 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.68 2rml n ALA 110 Cb 0.49 0.31 0.28 0.00 0.00 0.00 0.00 19.45 20.53 2rml n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2rml h LEU 111 N 0.00 0.00 0.44 0.00 -0.00 -2.01 -3.47 115.31 110.27 2rml h LEU 111 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.69 2rml h LEU 111 Cb 0.74 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.33 2rml h LEU 111 CO 0.00 0.00 -0.17 -0.62 -0.00 0.00 0.00 178.44 177.65 2rml n GLU 112 N -2.73 -1.03 -3.37 1.13 1.02 -1.25 -5.00 120.64 109.41 2rml n GLU 112 Ca 0.05 0.77 -0.19 0.00 -0.02 0.00 0.00 57.16 57.77 2rml n GLU 112 Cb 0.48 -4.81 -0.00 0.00 -0.02 0.00 0.00 31.44 27.09 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 -2.16 3.85 -0.03 2.62 -4.23 -1.26 -0.35 115.64 114.09 2rml s THR 113 Ca 0.00 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2rml s THR 113 Cb 0.00 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.52 2rml s THR 113 CO 0.00 -0.13 0.09 0.54 -0.54 0.00 0.00 174.62 174.58 2rml s VAL 114 N -2.22 0.01 -0.09 2.29 0.11 0.18 -0.58 120.40 120.10 2rml s VAL 114 Ca 0.47 -0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 59.36 2rml s VAL 114 Cb -0.10 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2rml s VAL 114 CO 0.32 -0.05 0.17 -0.89 -3.33 0.00 0.00 175.10 171.32 2rml s THR 115 N -0.12 5.46 0.04 5.04 2.01 -0.75 -1.22 115.64 126.11 2rml s THR 115 Ca -0.02 0.21 0.06 0.00 0.31 0.00 0.00 61.69 62.25 2rml s THR 115 Cb -0.02 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 2rml s THR 115 CO 0.00 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.64 2rml s VAL 116 N -1.08 1.39 -0.12 3.82 1.01 0.31 -2.88 120.40 122.85 2rml s VAL 116 Ca 0.18 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 2rml s VAL 116 Cb -0.12 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.06 2rml s VAL 116 CO 0.07 0.10 -0.01 -0.70 0.00 0.00 0.00 175.10 174.57 2rml s GLU 117 N -1.16 0.83 0.32 2.72 2.12 0.44 -0.73 118.70 123.23 2rml s GLU 117 Ca 0.05 -0.14 -0.15 0.00 0.36 0.00 0.00 54.97 55.09 2rml s GLU 117 Cb -0.08 -1.45 0.02 0.00 0.26 0.00 0.00 34.13 32.88 2rml s GLU 117 CO 0.02 -0.40 0.65 1.52 -0.54 0.00 0.00 175.26 176.51 2rml s TYR 118 N 1.87 0.21 -0.51 5.30 1.13 -0.57 -0.54 117.35 124.25 2rml s TYR 118 Ca 0.03 -0.69 -0.16 0.00 -1.41 0.00 0.00 57.07 54.84 2rml s TYR 118 Cb -0.14 0.52 0.10 0.00 -1.10 0.00 0.00 41.96 41.34 2rml s TYR 118 CO -0.07 -1.28 0.46 -0.80 -2.51 0.00 0.00 175.55 171.36 2rml s ASN 119 N -3.03 6.17 0.21 -0.18 0.02 0.09 -1.50 114.94 116.71 2rml s ASN 119 Ca 0.18 -1.49 0.18 0.00 -1.02 0.00 0.00 52.86 50.71 2rml s ASN 119 Cb -0.04 -2.21 0.85 0.00 0.02 0.00 0.00 41.25 39.88 2rml s ASN 119 CO 0.11 -0.76 1.55 -0.81 0.02 0.00 0.00 177.10 177.20 2rml n PRO 120 N 5.33 0.12 0.18 -0.60 -0.04 -1.26 -0.99 135.00 137.73 2rml n PRO 120 Ca -0.13 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 2rml n PRO 120 Cb 0.42 -1.80 0.64 0.00 -0.04 0.00 0.00 33.50 32.72 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 6.56 -1.93 -3.37 116.57 118.37 2rml h LYS 121 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2rml h LYS 121 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 2rml h LYS 121 CO 0.00 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 177.78 2rml n GLU 122 N -2.36 1.21 -4.00 3.15 -0.58 -0.89 -5.13 120.64 112.05 2rml n GLU 122 Ca -0.01 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.40 2rml n GLU 122 Cb 0.08 -0.23 -0.06 0.00 -0.57 0.00 0.00 31.44 30.66 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 -0.56 3.77 0.26 0.62 0.00 -0.16 -4.95 121.76 120.75 2rml s ALA 123 Ca 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 2rml s ALA 123 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2rml s ALA 123 CO 0.00 0.73 0.53 -1.54 0.00 0.00 0.00 175.76 175.48 2rml s SER 124 N -1.94 -0.11 0.63 0.00 1.04 -1.26 -4.31 113.70 107.75 2rml s SER 124 Ca 0.26 -0.88 0.32 0.00 0.48 0.00 0.00 55.95 56.14 2rml s SER 124 Cb -0.12 0.62 1.80 0.00 0.10 0.00 0.00 66.02 68.42 2rml s SER 124 CO 0.18 -1.19 2.10 0.58 0.98 0.00 0.00 173.24 175.89 2rml h VAL 125 N 2.20 0.24 -0.13 5.02 2.07 -1.99 -2.43 116.25 121.24 2rml h VAL 125 Ca -0.25 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 2rml h VAL 125 Cb 1.25 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2rml h VAL 125 CO 0.33 0.00 -0.16 0.28 0.02 0.00 0.00 177.57 178.04 2rml h SER 126 N 0.00 0.36 -0.54 0.57 0.02 -1.98 0.01 113.55 112.00 2rml h SER 126 Ca 0.05 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 2rml h SER 126 Cb 0.47 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2rml h SER 126 CO -0.00 0.80 0.21 0.44 -1.14 0.00 0.00 176.83 177.14 2rml h ASP 127 N -0.07 0.75 -0.10 3.07 3.32 -1.85 -0.63 116.42 120.91 2rml h ASP 127 Ca 0.02 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2rml h ASP 127 Cb 0.72 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2rml h ASP 127 CO 0.04 0.72 0.01 -0.07 -1.72 0.00 0.00 179.24 178.22 2rml h LEU 128 N 0.73 0.17 -0.03 1.55 3.38 -1.53 -1.81 115.31 117.78 2rml h LEU 128 Ca 0.18 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2rml h LEU 128 Cb 0.22 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2rml h LEU 128 CO -0.01 0.41 -0.48 0.11 0.09 0.00 0.00 178.44 178.55 2rml h LYS 129 N -0.07 -0.59 -0.90 1.13 1.57 -0.84 -1.17 116.57 115.69 2rml h LYS 129 Ca 0.03 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2rml h LYS 129 Cb 0.32 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 2rml h LYS 129 CO 0.00 -0.39 0.57 0.93 -0.57 0.00 0.00 179.45 179.99 2rml h GLU 130 N -0.61 1.04 0.00 3.15 5.08 -1.06 0.14 114.58 122.31 2rml h GLU 130 Ca 0.03 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 2rml h GLU 130 Cb 0.69 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2rml h GLU 130 CO -0.36 0.69 -0.36 0.00 -1.00 0.00 0.00 179.01 177.98 2rml h ALA 131 N 1.40 1.10 0.10 3.43 0.00 -1.10 -1.59 119.26 122.60 2rml h ALA 131 Ca 0.38 -0.33 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 2rml h ALA 131 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2rml h ALA 131 CO -0.15 0.46 -1.50 0.28 0.00 0.00 0.00 179.25 178.33 2rml h VAL 132 N 0.00 1.17 0.00 0.00 2.07 -0.55 -3.35 116.25 115.59 2rml h VAL 132 Ca -0.00 -2.83 -0.08 0.00 0.82 0.00 0.00 66.70 64.61 2rml h VAL 132 Cb 0.80 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 2rml h VAL 132 CO 0.05 0.81 -0.36 -0.78 0.02 0.00 0.00 177.57 177.31 2rml h ASP 133 N 0.06 0.00 -0.26 0.57 1.82 -0.66 -0.35 116.42 117.60 2rml h ASP 133 Ca -0.23 0.00 0.07 0.00 -0.39 0.00 0.00 57.03 56.49 2rml h ASP 133 Cb 2.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 42.00 2rml h ASP 133 CO 0.15 0.36 0.36 0.50 -1.61 0.00 0.00 179.24 179.01 2rml h LYS 134 N 0.00 0.00 0.00 0.28 1.63 -1.43 -2.01 116.57 115.05 2rml h LYS 134 Ca -0.00 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.44 2rml h LYS 134 Cb 0.79 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.35 2rml h LYS 134 CO 0.05 0.00 -2.34 1.28 -3.45 0.00 0.00 179.45 174.99 2rml n LEU 135 N -3.51 1.81 0.00 5.20 7.99 -0.84 -5.06 117.00 122.59 2rml n LEU 135 Ca 0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2rml n LEU 135 Cb 0.50 -0.33 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 2rml n LEU 135 CO 0.24 0.73 0.00 0.61 -1.51 0.00 0.00 177.39 177.46 2rml n GLY 136 N 2.15 1.15 0.00 -0.72 0.00 -0.20 -5.15 105.19 102.43 2rml n GLY 136 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -2.73 -4.26 1.61 4.01 -1.14 -4.84 117.16 109.80 2rml n TYR 137 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 2rml n TYR 137 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rml s LYS 138 N -2.20 1.29 -0.25 -0.72 0.00 -1.24 -4.23 119.74 112.38 2rml s LYS 138 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 55.97 54.30 2rml s LYS 138 Cb 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 37.83 37.82 2rml s LYS 138 CO 0.00 -0.30 -0.05 -0.51 0.00 0.00 0.00 175.35 174.49 2rml s LEU 139 N -3.24 2.93 -0.01 2.77 1.43 -1.26 -4.04 118.68 117.26 2rml s LEU 139 Ca 0.36 -1.34 -0.26 0.00 -1.03 0.00 0.00 54.13 51.86 2rml s LEU 139 Cb 0.07 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2rml s LEU 139 CO 0.11 -0.25 0.83 -0.54 0.23 0.00 0.00 176.35 176.73 2rml s LYS 140 N 1.30 4.51 0.05 1.70 -0.14 -0.55 -4.94 119.74 121.67 2rml s LYS 140 Ca -0.04 1.14 -0.20 0.00 -1.36 0.00 0.00 55.97 55.51 2rml s LYS 140 Cb -0.19 -3.43 -0.06 0.00 -1.68 0.00 0.00 37.83 32.46 2rml s LYS 140 CO -0.07 0.07 0.59 -0.51 -0.76 0.00 0.00 175.35 174.67 2rml s LEU 141 N 0.68 4.49 -0.30 3.17 1.02 -1.26 -0.57 118.68 125.92 2rml s LEU 141 Ca 0.44 1.25 -0.09 0.00 0.02 0.00 0.00 54.13 55.74 2rml s LEU 141 Cb -0.20 -2.92 -0.02 0.00 0.02 0.00 0.00 46.19 43.07 2rml s LEU 141 CO 0.23 0.21 0.14 -0.75 0.02 0.00 0.00 176.35 176.21 2rml s LYS 142 N -0.80 3.45 0.00 1.70 2.47 -1.11 -0.78 119.74 124.67 2rml s LYS 142 Ca 0.30 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 54.07 2rml s LYS 142 Cb -0.19 -3.53 0.00 0.00 -1.46 0.00 0.00 37.83 32.64 2rml s LYS 142 CO 0.19 -0.35 0.00 0.41 0.16 0.00 0.00 175.35 175.75 2rml n GLY 143 N 4.98 1.96 0.13 5.54 0.00 -0.40 -4.67 105.19 112.73 2rml n GLY 143 Ca -0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 2rml n GLY 143 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2rml h GLU 144 N 0.00 0.01 0.00 1.61 4.22 -1.86 -3.28 114.58 115.28 2rml h GLU 144 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2rml h GLU 144 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2rml h GLU 144 CO 0.00 0.65 -0.03 1.04 -2.18 0.00 0.00 179.01 178.50 2rml n GLN 145 N -3.78 0.00 0.27 1.92 6.02 -1.11 -4.85 117.38 115.85 2rml n GLN 145 Ca -0.01 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.14 2rml n GLN 145 Cb 0.64 -0.24 0.65 0.00 1.02 0.00 0.00 30.24 32.30 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 1.82 -1.21 -3.49 116.42 114.62 2rml h ASP 146 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2rml h ASP 146 Cb 0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2rml h ASP 146 CO 0.00 0.04 0.00 -0.24 -1.61 0.00 0.00 179.24 177.43