#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 2.33 -0.05 -0.89 1.43 -1.26 -4.91 118.68 115.33 2rml s LEU 2 Ca 0.00 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2rml s LEU 2 Cb 0.00 -1.41 0.06 0.00 0.03 0.00 0.00 46.19 44.87 2rml s LEU 2 CO 0.00 -0.07 0.55 -0.24 0.23 0.00 0.00 176.35 176.83 2rml n SER 3 N 4.62 -0.33 0.00 2.29 2.88 -1.26 -5.06 113.62 116.76 2rml n SER 3 Ca -0.18 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 2rml n SER 3 Cb 0.48 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2rml n SER 3 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2rml n GLU 4 N -0.23 0.00 -1.80 -1.46 2.13 -1.26 -5.14 120.64 112.88 2rml n GLU 4 Ca -0.06 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.47 2rml n GLU 4 Cb 0.50 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.28 2rml n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2rml s GLN 5 N 0.00 2.31 0.01 5.31 -0.21 -1.26 -4.51 119.66 121.31 2rml s GLN 5 Ca 0.00 0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.77 2rml s GLN 5 Cb 0.00 -1.97 -0.01 0.00 1.00 0.00 0.00 33.01 32.03 2rml s GLN 5 CO 0.00 -1.40 -0.05 0.21 -2.12 0.00 0.00 175.29 171.93 2rml s LYS 6 N -5.38 0.36 0.05 2.91 2.36 -0.36 -4.89 119.74 114.79 2rml s LYS 6 Ca 0.60 -0.33 0.06 0.00 -2.55 0.00 0.00 55.97 53.76 2rml s LYS 6 Cb -0.12 -0.25 -0.03 0.00 -1.05 0.00 0.00 37.83 36.37 2rml s LYS 6 CO 0.52 0.06 -0.14 -1.83 1.55 0.00 0.00 175.35 175.51 2rml s GLU 7 N -0.57 2.16 0.03 4.03 1.03 -1.26 -1.52 118.70 122.58 2rml s GLU 7 Ca -0.03 -0.95 -0.01 0.00 0.03 0.00 0.00 54.97 54.01 2rml s GLU 7 Cb -0.04 -2.27 -0.02 0.00 -0.80 0.00 0.00 34.13 30.99 2rml s GLU 7 CO -0.00 0.54 -0.02 0.42 -1.33 0.00 0.00 175.26 174.87 2rml s ILE 8 N -1.02 0.13 0.08 1.83 1.09 -0.49 -4.65 121.20 118.16 2rml s ILE 8 Ca 0.17 -1.06 0.06 0.00 -1.10 0.00 0.00 60.65 58.71 2rml s ILE 8 Cb -0.11 -0.50 -0.03 0.00 -1.06 0.00 0.00 42.46 40.76 2rml s ILE 8 CO 0.08 -0.59 -0.16 0.00 -0.10 0.00 0.00 174.94 174.18 2rml s ALA 9 N -1.92 1.32 -0.02 9.38 0.00 -1.26 -0.49 121.76 128.77 2rml s ALA 9 Ca -0.12 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 2rml s ALA 9 Cb -0.07 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2rml s ALA 9 CO -0.03 0.21 0.24 -1.64 0.00 0.00 0.00 175.76 174.54 2rml s MET 10 N -1.77 0.53 0.13 0.00 -1.94 -0.44 -4.13 119.30 111.67 2rml s MET 10 Ca -0.00 -0.16 -0.26 0.00 -1.71 0.00 0.00 55.69 53.56 2rml s MET 10 Cb -0.10 0.23 -0.07 0.00 2.01 0.00 0.00 34.83 36.90 2rml s MET 10 CO 0.03 -0.13 0.80 -1.14 -0.01 0.00 0.00 175.02 174.57 2rml s GLN 11 N -1.06 4.58 0.35 2.03 0.74 -1.26 -1.31 119.66 123.74 2rml s GLN 11 Ca -0.11 1.19 0.08 0.00 0.05 0.00 0.00 55.36 56.57 2rml s GLN 11 Cb -0.05 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 2rml s GLN 11 CO 0.03 0.45 0.14 0.54 -0.55 0.00 0.00 175.29 175.90 2rml s VAL 12 N -0.74 2.85 -0.34 1.34 0.11 -0.44 -1.84 120.40 121.34 2rml s VAL 12 Ca 0.38 -1.72 0.01 0.00 -2.93 0.00 0.00 61.98 57.71 2rml s VAL 12 Cb -0.23 -2.96 0.09 0.00 -1.53 0.00 0.00 36.38 31.75 2rml s VAL 12 CO 0.26 -0.15 0.06 -0.55 -3.33 0.00 0.00 175.10 171.39 2rml s SER 13 N -3.85 4.89 0.00 3.54 0.15 0.72 -4.81 113.70 114.34 2rml s SER 13 Ca 0.38 -1.82 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2rml s SER 13 Cb -0.01 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 2rml s SER 13 CO 0.22 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2rml n GLY 14 N 4.45 -0.66 1.20 9.45 0.00 -1.26 -1.52 105.19 116.85 2rml n GLY 14 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 1.09 -1.65 1.61 2.81 -1.26 -4.80 117.12 114.91 2rml n MET 15 Ca 0.00 -0.21 -0.37 0.00 -1.81 0.00 0.00 57.70 55.31 2rml n MET 15 Cb 0.00 -1.08 0.07 0.00 -0.71 0.00 0.00 33.22 31.49 2rml n MET 15 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2rml n THR 16 N 0.61 4.36 -0.91 2.03 -1.04 -1.26 -3.36 114.28 114.72 2rml n THR 16 Ca 0.04 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2rml n THR 16 Cb 0.56 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 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 1.00 0.00 -0.04 0.00 0.00 -1.23 -4.72 120.51 115.51 2rml n ALA 18 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2rml n ALA 18 Cb 0.27 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 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 0.35 0.00 0.00 0.00 -1.82 -0.24 119.26 117.55 2rml h ALA 19 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 2rml h ALA 19 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2rml h ALA 19 CO 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 179.25 179.64 2rml h ALA 21 N 1.71 0.34 -0.89 0.00 0.00 -1.53 -3.04 119.26 115.85 2rml h ALA 21 Ca -0.00 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2rml h ALA 21 Cb 0.52 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2rml h ALA 21 CO 0.04 0.12 0.55 0.00 0.00 0.00 0.00 179.25 179.96 2rml h ALA 22 N 0.78 1.23 0.00 0.00 0.00 -0.60 -0.03 119.26 120.65 2rml h ALA 22 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rml h ALA 22 Cb 0.49 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2rml h ALA 22 CO 0.02 0.29 -0.00 0.00 0.00 0.00 0.00 179.25 179.56 2rml h ARG 23 N 0.99 0.00 0.00 0.00 2.47 -1.20 -2.98 114.38 113.66 2rml h ARG 23 Ca 0.39 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.96 2rml h ARG 23 Cb 0.20 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 2rml h ARG 23 CO -0.18 0.00 -0.86 0.82 0.56 0.00 0.00 179.97 180.31 2rml h ILE 24 N 0.00 1.02 -0.64 2.04 1.08 -0.89 -2.56 117.51 117.56 2rml h ILE 24 Ca -0.00 -2.09 0.03 0.00 -0.39 0.00 0.00 64.86 62.42 2rml h ILE 24 Cb 0.01 2.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.97 2rml h ILE 24 CO 0.00 0.35 0.39 -0.33 -0.69 0.00 0.00 178.15 177.86 2rml h GLU 25 N -1.00 0.73 -0.00 2.37 5.08 -1.44 -0.69 114.58 119.63 2rml h GLU 25 Ca -0.23 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 57.93 2rml h GLU 25 Cb 1.13 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2rml h GLU 25 CO -0.14 0.48 -0.78 -0.22 -1.00 0.00 0.00 179.01 177.36 2rml h LYS 26 N 0.75 0.00 -0.27 2.33 3.64 -1.74 -3.21 116.57 118.07 2rml h LYS 26 Ca 0.26 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.51 2rml h LYS 26 Cb 0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2rml h LYS 26 CO -0.12 0.78 -0.38 0.78 -2.27 0.00 0.00 179.45 178.24 2rml h GLY 27 N 2.33 0.67 0.68 5.01 0.00 -0.73 -2.56 103.07 108.47 2rml h GLY 27 Ca -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 2rml h GLY 27 CO 0.10 0.59 -0.16 1.41 0.00 0.00 0.00 176.54 178.49 2rml h LEU 28 N 0.51 0.32 0.00 3.11 -0.00 -1.44 -3.37 115.31 114.43 2rml h LEU 28 Ca 0.05 -0.53 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2rml h LEU 28 Cb 0.89 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2rml h LEU 28 CO 0.08 0.79 0.00 1.17 -0.00 0.00 0.00 178.44 180.47 2rml n LYS 29 N -4.57 0.17 0.00 1.13 4.81 -0.97 -0.62 118.16 118.11 2rml n LYS 29 Ca -0.07 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.50 2rml n LYS 29 Cb 0.38 -1.15 0.36 0.00 0.02 0.00 0.00 35.03 34.64 2rml n LYS 29 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2rml n ARG 30 N -0.65 1.83 -3.06 1.64 1.85 -1.19 -4.99 116.66 112.08 2rml n ARG 30 Ca 0.01 -1.26 -0.39 0.00 -1.00 0.00 0.00 57.85 55.21 2rml n ARG 30 Cb 0.01 -1.47 -0.05 0.00 -1.05 0.00 0.00 32.46 29.89 2rml n ARG 30 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2rml s MET 31 N -2.04 4.43 0.28 2.89 -1.94 0.21 -4.98 119.30 118.15 2rml s MET 31 Ca 0.33 0.95 0.22 0.00 -1.71 0.00 0.00 55.69 55.49 2rml s MET 31 Cb 0.20 -3.35 1.05 0.00 2.01 0.00 0.00 34.83 34.75 2rml s MET 31 CO 0.34 0.34 1.67 -0.35 -0.01 0.00 0.00 175.02 177.01 2rml n PRO 32 N 2.69 0.16 0.00 2.03 -0.04 -1.26 -2.00 135.00 136.58 2rml n PRO 32 Ca -0.04 0.53 0.01 0.00 -0.04 0.00 0.00 63.50 63.95 2rml n PRO 32 Cb 0.50 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 -0.64 -1.38 3.71 0.55 0.00 -1.26 -5.02 105.19 101.15 2rml n GLY 33 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.10 4.09 -0.09 1.61 0.11 -0.85 -0.37 120.40 124.79 2rml s VAL 34 Ca 0.01 1.49 -0.26 0.00 -2.93 0.00 0.00 61.98 60.29 2rml s VAL 34 Cb 0.01 -3.96 -0.26 0.00 -1.53 0.00 0.00 36.38 30.64 2rml s VAL 34 CO 0.01 0.11 0.89 0.74 -3.33 0.00 0.00 175.10 173.52 2rml h THR 35 N 4.55 1.66 -2.19 5.04 2.02 -0.97 -3.47 112.91 119.55 2rml h THR 35 Ca -0.41 -2.20 0.18 0.00 0.77 0.00 0.00 66.41 64.75 2rml h THR 35 Cb 1.21 3.12 -0.11 0.00 -1.74 0.00 0.00 68.15 70.63 2rml h THR 35 CO 0.81 0.59 0.54 -0.62 0.37 0.00 0.00 175.52 177.21 2rml s ASP 36 N -6.33 -0.22 -0.05 4.18 -1.08 -0.65 -5.02 116.67 107.49 2rml s ASP 36 Ca -0.17 -0.23 -0.03 0.00 -0.52 0.00 0.00 52.55 51.60 2rml s ASP 36 Cb -0.01 0.41 0.03 0.00 -1.46 0.00 0.00 42.92 41.89 2rml s ASP 36 CO 0.73 -0.72 0.12 0.00 0.52 0.00 0.00 175.17 175.81 2rml s ALA 37 N -3.11 -0.22 -0.03 3.66 0.00 -1.26 -0.93 121.76 119.87 2rml s ALA 37 Ca 0.10 0.54 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 2rml s ALA 37 Cb -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.79 2rml s ALA 37 CO -0.02 -0.12 0.04 -0.80 0.00 0.00 0.00 175.76 174.86 2rml s ASN 38 N 0.87 0.13 -0.17 0.00 0.01 -0.16 -4.61 114.94 111.02 2rml s ASN 38 Ca -0.07 0.07 -0.05 0.00 -0.71 0.00 0.00 52.86 52.10 2rml s ASN 38 Cb -0.09 -0.05 -0.03 0.00 0.41 0.00 0.00 41.25 41.49 2rml s ASN 38 CO -0.04 -0.14 0.00 0.54 -1.51 0.00 0.00 177.10 175.95 2rml s VAL 39 N 1.18 4.22 -0.65 1.60 0.11 -1.26 -0.75 120.40 124.85 2rml s VAL 39 Ca -0.08 -0.24 -0.24 0.00 -2.93 0.00 0.00 61.98 58.49 2rml s VAL 39 Cb -0.13 -2.87 0.05 0.00 -1.53 0.00 0.00 36.38 31.90 2rml s VAL 39 CO -0.03 0.48 1.03 0.21 -3.33 0.00 0.00 175.10 173.46 2rml s ASN 40 N 0.39 6.21 0.23 3.54 3.84 -0.27 -4.93 114.94 123.95 2rml s ASN 40 Ca -0.01 -0.71 0.11 0.00 0.21 0.00 0.00 52.86 52.46 2rml s ASN 40 Cb -0.14 -2.46 0.16 0.00 -0.55 0.00 0.00 41.25 38.27 2rml s ASN 40 CO 0.02 -1.48 1.49 0.25 -2.79 0.00 0.00 177.10 174.58 2rml h LEU 41 N 11.65 0.00 -0.51 3.21 5.85 -1.95 -1.72 115.31 131.85 2rml h LEU 41 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2rml h LEU 41 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2rml h LEU 41 CO 1.18 0.72 0.04 0.00 -0.34 0.00 0.00 178.44 180.04 2rml n ALA 42 N -2.36 0.95 -2.19 1.25 0.00 -1.26 -1.34 120.51 115.56 2rml n ALA 42 Ca -0.00 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.53 2rml n ALA 42 Cb 0.73 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.75 0.19 -4.17 0.00 5.66 -1.14 -5.05 114.28 108.01 2rml n THR 43 Ca -0.01 -0.75 -0.35 0.00 -3.05 0.00 0.00 64.05 59.89 2rml n THR 43 Cb 0.05 0.68 -0.06 0.00 -1.55 0.00 0.00 70.33 69.45 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 0.13 -1.45 -4.40 1.09 2.13 -0.45 -4.87 120.64 112.83 2rml n GLU 44 Ca 0.05 0.17 -0.33 0.00 0.66 0.00 0.00 57.16 57.70 2rml n GLU 44 Cb 0.92 -4.76 -0.16 0.00 0.27 0.00 0.00 31.44 27.71 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 -3.07 2.40 -0.12 6.31 2.01 -0.71 -1.33 115.64 121.13 2rml s THR 45 Ca 0.69 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 2rml s THR 45 Cb -0.40 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 2rml s THR 45 CO 0.85 0.52 0.17 -0.55 -0.69 0.00 0.00 174.62 174.92 2rml s SER 46 N 1.01 6.40 -0.17 3.53 0.15 -0.43 -1.12 113.70 123.07 2rml s SER 46 Ca -0.02 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.11 2rml s SER 46 Cb -0.15 -2.09 0.03 0.00 -1.71 0.00 0.00 66.02 62.10 2rml s SER 46 CO -0.04 0.35 -0.14 0.20 1.20 0.00 0.00 173.24 174.81 2rml s ASN 47 N -0.76 3.03 -0.03 5.45 0.01 0.08 -1.33 114.94 121.39 2rml s ASN 47 Ca 0.15 -0.66 0.03 0.00 -0.71 0.00 0.00 52.86 51.67 2rml s ASN 47 Cb -0.12 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.27 2rml s ASN 47 CO 0.04 -0.08 -0.11 0.54 -1.51 0.00 0.00 177.10 175.98 2rml s VAL 48 N 1.41 0.97 -0.08 1.60 0.11 0.36 -0.99 120.40 123.79 2rml s VAL 48 Ca 0.03 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 2rml s VAL 48 Cb -0.14 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 2rml s VAL 48 CO -0.10 0.29 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.23 2rml s ILE 49 N 0.10 1.04 0.12 7.04 1.09 -0.11 -1.40 121.20 129.09 2rml s ILE 49 Ca -0.02 -0.38 -0.12 0.00 -1.10 0.00 0.00 60.65 59.02 2rml s ILE 49 Cb -0.09 -0.99 0.01 0.00 -1.06 0.00 0.00 42.46 40.33 2rml s ILE 49 CO 0.01 0.34 0.30 -0.72 -0.10 0.00 0.00 174.94 174.78 2rml s TYR 50 N 1.00 0.06 -0.27 3.97 1.13 -0.58 -0.26 117.35 122.40 2rml s TYR 50 Ca -0.08 -0.44 -0.26 0.00 -1.41 0.00 0.00 57.07 54.88 2rml s TYR 50 Cb -0.15 0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.80 2rml s TYR 50 CO -0.00 -0.66 0.91 0.34 -2.51 0.00 0.00 175.55 173.62 2rml s ASP 51 N -2.87 6.85 0.00 -0.18 -1.08 0.50 -1.22 116.67 118.67 2rml s ASP 51 Ca 0.07 1.00 0.06 0.00 -0.52 0.00 0.00 52.55 53.16 2rml s ASP 51 Cb 0.03 -2.47 0.33 0.00 -1.46 0.00 0.00 42.92 39.35 2rml s ASP 51 CO -0.08 -0.64 1.22 -0.81 0.52 0.00 0.00 175.17 175.37 2rml n PRO 52 N 6.29 1.12 -0.02 4.34 -0.04 -1.26 -1.30 135.00 144.13 2rml n PRO 52 Ca 0.08 -0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 2rml n PRO 52 Cb 0.47 -1.11 -0.13 0.00 -0.04 0.00 0.00 33.50 32.68 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 3.25 0.15 0.02 0.55 0.00 -1.93 -3.39 119.26 117.91 2rml h ALA 53 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 54.91 53.67 2rml h ALA 53 Cb 0.07 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2rml h ALA 53 CO 0.00 0.67 -0.99 0.93 0.00 0.00 0.00 179.25 179.85 2rml h GLU 54 N -0.52 0.38 -4.34 0.00 3.07 -1.91 -3.45 114.58 107.80 2rml h GLU 54 Ca -0.26 -0.44 -0.61 0.00 -0.50 0.00 0.00 59.36 57.55 2rml h GLU 54 Cb 1.57 0.13 -0.38 0.00 -0.84 0.00 0.00 28.75 29.23 2rml h GLU 54 CO 0.01 1.12 -0.78 0.99 -1.40 0.00 0.00 179.01 178.95 2rml s THR 55 N -3.16 1.56 0.41 1.13 2.01 -0.42 -4.74 115.64 112.43 2rml s THR 55 Ca -0.05 -1.32 -0.17 0.00 0.31 0.00 0.00 61.69 60.46 2rml s THR 55 Cb 0.09 -1.86 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 2rml s THR 55 CO 0.87 -0.17 0.87 -0.83 -0.69 0.00 0.00 174.62 174.67 2rml s GLY 56 N 1.37 2.25 0.22 4.40 0.00 -1.26 -4.26 107.32 110.04 2rml s GLY 56 Ca -0.04 0.17 -0.09 0.00 0.00 0.00 0.00 44.72 44.76 2rml s GLY 56 CO -0.07 0.41 1.85 0.00 0.00 0.00 0.00 173.10 175.29 2rml h THR 57 N 1.63 1.08 -0.78 0.90 1.03 -1.94 -1.85 112.91 112.98 2rml h THR 57 Ca -0.48 -0.30 0.01 0.00 -0.01 0.00 0.00 66.41 65.62 2rml h THR 57 Cb 1.18 0.11 -0.04 0.00 -1.07 0.00 0.00 68.15 68.34 2rml h THR 57 CO 0.63 0.16 0.51 0.00 -0.01 0.00 0.00 175.52 176.81 2rml h ALA 58 N 1.33 1.44 0.00 0.00 0.00 -1.95 -2.09 119.26 117.99 2rml h ALA 58 Ca 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2rml h ALA 58 Cb 0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2rml h ALA 58 CO -0.13 0.52 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 2rml h ALA 59 N 1.51 1.10 -0.11 0.00 0.00 -1.73 -1.58 119.26 118.45 2rml h ALA 59 Ca 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2rml h ALA 59 Cb -0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2rml h ALA 59 CO -0.06 0.06 -0.10 0.82 0.00 0.00 0.00 179.25 179.97 2rml h ILE 60 N 0.00 1.35 -0.21 0.00 1.08 -1.34 -0.54 117.51 117.85 2rml h ILE 60 Ca -0.00 -1.23 -0.12 0.00 -0.39 0.00 0.00 64.86 63.11 2rml h ILE 60 Cb 0.30 1.93 -0.00 0.00 -3.07 0.00 0.00 36.82 35.99 2rml h ILE 60 CO 0.01 0.35 -0.36 0.06 -0.69 0.00 0.00 178.15 177.52 2rml h GLN 61 N -0.14 0.61 -0.52 2.37 3.07 -1.62 -3.29 115.11 115.59 2rml h GLN 61 Ca 0.02 -0.38 -0.06 0.00 0.09 0.00 0.00 58.65 58.32 2rml h GLN 61 Cb 0.61 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.18 2rml h GLN 61 CO 0.02 0.99 0.09 1.49 0.09 0.00 0.00 178.83 181.51 2rml h GLU 62 N 0.29 0.81 0.00 0.06 4.81 -1.28 -0.85 114.58 118.41 2rml h GLU 62 Ca 0.01 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 2rml h GLU 62 Cb 0.95 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2rml h GLU 62 CO 0.08 0.76 -0.38 -0.22 -0.73 0.00 0.00 179.01 178.52 2rml h LYS 63 N 0.77 0.00 0.08 1.92 1.63 -1.21 -0.20 116.57 119.56 2rml h LYS 63 Ca 0.16 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2rml h LYS 63 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2rml h LYS 63 CO 0.01 0.38 -0.04 0.82 -3.45 0.00 0.00 179.45 177.16 2rml h ILE 64 N 0.00 1.18 -0.65 2.00 2.04 -1.41 -3.15 117.51 117.52 2rml h ILE 64 Ca -0.00 -1.11 0.16 0.00 1.00 0.00 0.00 64.86 64.91 2rml h ILE 64 Cb 0.73 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 2rml h ILE 64 CO 0.05 0.27 0.45 -0.33 0.00 0.00 0.00 178.15 178.59 2rml h GLU 65 N -0.63 0.15 0.00 2.37 4.39 -1.08 -1.64 114.58 118.15 2rml h GLU 65 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2rml h GLU 65 Cb 0.52 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2rml h GLU 65 CO 0.02 0.10 0.00 0.87 -1.16 0.00 0.00 179.01 178.84 2rml h LYS 66 N 0.16 0.00 0.00 2.33 6.56 -0.98 -1.80 116.57 122.84 2rml h LYS 66 Ca 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 2rml h LYS 66 Cb 1.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 2rml h LYS 66 CO -0.05 0.00 0.00 1.28 -2.06 0.00 0.00 179.45 178.62 2rml n LEU 67 N -3.05 0.34 -0.24 2.94 7.99 -0.62 -4.93 117.00 119.43 2rml n LEU 67 Ca -0.01 0.55 0.00 0.00 -0.01 0.00 0.00 56.01 56.54 2rml n LEU 67 Cb 0.19 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.04 2rml n LEU 67 CO 0.23 -0.19 0.00 0.61 -1.51 0.00 0.00 177.39 176.54 2rml n GLY 68 N 0.94 0.89 3.38 -0.72 0.00 -0.67 -5.10 105.19 103.90 2rml n GLY 68 Ca 0.05 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.49 2.11 -0.24 1.61 2.02 -1.26 -5.01 117.35 114.09 2rml s TYR 69 Ca 0.00 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.22 2rml s TYR 69 Cb 0.00 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 2rml s TYR 69 CO 0.00 0.40 0.09 -1.01 -1.57 0.00 0.00 175.55 173.46 2rml s HIS 70 N -1.64 3.15 0.31 2.71 3.76 -0.57 -4.25 115.29 118.76 2rml s HIS 70 Ca 0.17 -0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.60 2rml s HIS 70 Cb -0.08 -2.22 -0.10 0.00 1.11 0.00 0.00 32.58 31.29 2rml s HIS 70 CO 0.08 -0.19 1.20 0.08 -0.85 0.00 0.00 174.74 175.06 2rml s VAL 71 N 1.30 3.11 -0.73 -0.90 1.01 -1.26 -0.20 120.40 122.73 2rml s VAL 71 Ca 0.05 1.11 -0.06 0.00 0.00 0.00 0.00 61.98 63.07 2rml s VAL 71 Cb -0.15 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2rml s VAL 71 CO 0.04 0.26 3.07 1.33 0.00 0.00 0.00 175.10 179.80 2rml n VAL 72 N 0.94 3.78 -3.96 2.92 0.24 -0.77 -4.89 118.33 116.60 2rml n VAL 72 Ca -0.00 -2.57 -0.36 0.00 -2.04 0.00 0.00 64.34 59.37 2rml n VAL 72 Cb 0.43 -2.08 -0.06 0.00 -1.47 0.00 0.00 33.84 30.66 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 0.23 5.32 0.29 3.34 -4.23 -1.26 -4.22 115.64 115.10 2rml s THR 73 Ca 0.64 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 2rml s THR 73 Cb 0.28 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 2rml s THR 73 CO -0.08 0.60 0.16 -1.61 -0.54 0.00 0.00 174.62 173.14 2rml s GLU 74 N -1.07 1.53 0.16 3.99 2.02 -0.11 -4.95 118.70 120.26 2rml s GLU 74 Ca 0.16 -1.86 0.05 0.00 0.02 0.00 0.00 54.97 53.33 2rml s GLU 74 Cb -0.12 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.04 2rml s GLU 74 CO 0.05 -0.44 0.15 -1.59 0.02 0.00 0.00 175.26 173.45 2rml s LYS 75 N -3.87 2.97 0.20 1.61 -2.85 -1.26 -1.66 119.74 114.87 2rml s LYS 75 Ca 0.37 -0.83 -0.12 0.00 -1.00 0.00 0.00 55.97 54.39 2rml s LYS 75 Cb 0.05 -2.69 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 2rml s LYS 75 CO 0.17 0.49 0.39 0.00 0.10 0.00 0.00 175.35 176.50 2rml s ALA 76 N -1.74 -0.26 0.03 0.59 0.00 -0.15 -5.00 121.76 115.23 2rml s ALA 76 Ca 0.31 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.58 2rml s ALA 76 Cb -0.10 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 2rml s ALA 76 CO 0.24 -0.74 -0.15 -1.21 0.00 0.00 0.00 175.76 173.89 2rml s GLU 77 N -3.97 1.06 0.10 0.00 2.02 -1.26 -0.49 118.70 116.16 2rml s GLU 77 Ca 0.17 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.47 2rml s GLU 77 Cb 0.01 -1.07 -0.04 0.00 0.10 0.00 0.00 34.13 33.13 2rml s GLU 77 CO 0.02 0.27 -0.09 -0.06 0.02 0.00 0.00 175.26 175.43 2rml s PHE 78 N -0.72 1.03 -0.16 1.61 0.08 -0.42 -3.41 117.98 115.98 2rml s PHE 78 Ca 0.03 -0.75 -0.05 0.00 0.12 0.00 0.00 56.93 56.29 2rml s PHE 78 Cb -0.07 -0.56 -0.03 0.00 -0.57 0.00 0.00 43.02 41.78 2rml s PHE 78 CO 0.01 -0.03 -0.01 0.34 -0.10 0.00 0.00 175.22 175.43 2rml s ASP 79 N -2.73 5.01 -0.74 1.36 -1.08 0.19 -0.37 116.67 118.31 2rml s ASP 79 Ca 0.09 -0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.07 2rml s ASP 79 Cb 0.00 -1.83 0.34 0.00 -1.46 0.00 0.00 42.92 39.97 2rml s ASP 79 CO -0.01 0.17 1.32 -0.38 0.52 0.00 0.00 175.17 176.78 2rml n ILE 80 N 3.55 4.16 -1.50 4.11 -0.00 0.36 -1.44 119.36 128.60 2rml n ILE 80 Ca -0.17 -5.65 -0.46 0.00 -0.00 0.00 0.00 62.75 56.47 2rml n ILE 80 Cb 0.52 -1.44 -0.06 0.00 -0.00 0.00 0.00 39.64 38.66 2rml n ILE 80 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 2rml n GLU 81 N -0.21 1.20 0.00 0.38 0.00 -1.26 -0.98 120.64 119.77 2rml n GLU 81 Ca 0.38 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.82 2rml n GLU 81 Cb 0.35 -2.73 0.00 0.00 0.00 0.00 0.00 31.44 29.06 2rml n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rml n GLY 82 N 6.28 4.23 3.73 8.31 0.00 -1.26 -3.95 105.19 122.53 2rml n GLY 82 Ca 0.40 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 2rml n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2rml s MET 83 N 0.00 4.52 0.00 1.61 0.23 -0.16 -4.97 119.30 120.53 2rml s MET 83 Ca 0.00 1.13 0.00 0.00 -1.03 0.00 0.00 55.69 55.79 2rml s MET 83 Cb 0.00 -3.40 0.00 0.00 -1.53 0.00 0.00 34.83 29.90 2rml s MET 83 CO 0.00 0.18 0.38 0.25 -2.03 0.00 0.00 175.02 173.80 2rml n THR 84 N 3.16 0.14 -3.54 3.16 -2.24 -1.26 -4.79 114.28 108.91 2rml n THR 84 Ca -0.00 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2rml n THR 84 Cb 0.50 1.32 -0.05 0.00 -2.10 0.00 0.00 70.33 70.00 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 2.65 2.11 0.00 0.00 0.00 -1.95 0.50 119.26 122.57 2rml h ALA 86 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2rml h ALA 86 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2rml h ALA 86 CO 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2rml h ALA 87 N 1.63 1.00 0.06 0.00 0.00 -2.00 -0.67 119.26 119.28 2rml h ALA 87 Ca 0.40 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.16 2rml h ALA 87 Cb 0.93 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2rml h ALA 87 CO -0.14 0.00 -0.76 0.00 0.00 0.00 0.00 179.25 178.35 2rml h ALA 89 N -0.08 -0.49 -0.78 0.00 0.00 -0.87 -2.62 119.26 114.42 2rml h ALA 89 Ca -0.17 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.85 2rml h ALA 89 Cb 1.39 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.68 2rml h ALA 89 CO 0.01 -0.84 0.51 -0.97 0.00 0.00 0.00 179.25 177.96 2rml h ASN 90 N -0.49 0.47 -0.12 0.00 -0.73 -1.34 0.23 115.58 113.59 2rml h ASN 90 Ca 0.05 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 2rml h ASN 90 Cb 0.56 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 39.08 2rml h ASN 90 CO -0.24 0.25 -0.01 0.03 -0.37 0.00 0.00 177.43 177.08 2rml h ARG 91 N 0.50 0.22 -0.04 6.67 3.08 -1.64 -2.24 114.38 120.93 2rml h ARG 91 Ca 0.38 -0.08 -0.23 0.00 0.07 0.00 0.00 59.98 60.12 2rml h ARG 91 Cb 0.76 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.80 2rml h ARG 91 CO -0.14 0.49 -0.91 -0.84 -1.07 0.00 0.00 179.97 177.50 2rml h ILE 92 N -0.07 1.34 -0.48 2.04 3.07 -1.24 -3.31 117.51 118.86 2rml h ILE 92 Ca 0.03 -2.25 0.06 0.00 1.55 0.00 0.00 64.86 64.25 2rml h ILE 92 Cb 0.40 2.28 -0.05 0.00 -0.27 0.00 0.00 36.82 39.17 2rml h ILE 92 CO 0.01 0.69 0.18 -0.08 -1.05 0.00 0.00 178.15 177.90 2rml h GLU 93 N 0.35 0.36 0.00 0.16 4.81 -0.60 0.39 114.58 120.04 2rml h GLU 93 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2rml h GLU 93 Cb 1.54 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.84 2rml h GLU 93 CO 0.17 0.24 0.15 0.87 -0.73 0.00 0.00 179.01 179.71 2rml h LYS 94 N 0.37 0.00 0.00 1.92 1.57 -1.49 0.21 116.57 119.16 2rml h LYS 94 Ca 0.23 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 2rml h LYS 94 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2rml h LYS 94 CO -0.22 0.00 -1.05 -2.13 -0.57 0.00 0.00 179.45 175.48 2rml n ARG 95 N -2.80 0.51 -0.32 3.15 0.63 -0.60 -4.68 116.66 112.55 2rml n ARG 95 Ca -0.02 0.43 0.14 0.00 -0.92 0.00 0.00 57.85 57.47 2rml n ARG 95 Cb 0.20 -1.62 0.32 0.00 0.45 0.00 0.00 32.46 31.81 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 -1.00 0.48 -2.03 6.15 -0.00 -0.27 0.11 115.31 118.74 2rml h LEU 96 Ca -0.17 0.14 0.12 0.00 -0.00 0.00 0.00 57.88 57.97 2rml h LEU 96 Cb 0.94 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.66 2rml h LEU 96 CO -0.10 0.08 0.34 -1.13 -0.00 0.00 0.00 178.44 177.62 2rml h ASN 97 N 0.50 0.00 0.00 -0.43 -0.73 -0.69 -3.33 115.58 110.90 2rml h ASN 97 Ca 0.57 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.74 2rml h ASN 97 Cb 1.04 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.63 2rml h ASN 97 CO -0.48 0.00 0.00 0.29 -0.37 0.00 0.00 177.43 176.87 2rml n LYS 98 N -4.20 1.74 0.00 6.67 5.02 -0.94 -3.12 118.16 123.32 2rml n LYS 98 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2rml n LYS 98 Cb 0.53 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2rml n ILE 99 N 0.00 0.00 0.00 -0.18 5.41 0.33 -4.37 119.36 120.55 2rml n ILE 99 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2rml n ILE 99 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2rml n ILE 99 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2rml n GLU 100 N 0.00 0.00 0.00 0.38 0.00 -1.26 -4.97 120.64 114.79 2rml n GLU 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2rml n GLU 100 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 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 1.17 3.36 8.31 0.00 -1.26 -4.60 105.19 112.16 2rml n GLY 101 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2rml n GLY 101 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rml s VAL 102 N -2.00 2.02 -0.27 1.61 -7.23 -1.26 -3.80 120.40 109.48 2rml s VAL 102 Ca 0.00 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 2rml s VAL 102 Cb 0.00 -1.90 -0.14 0.00 0.56 0.00 0.00 36.38 34.90 2rml s VAL 102 CO 0.00 -0.17 -0.24 0.00 -0.31 0.00 0.00 175.10 174.38 2rml n ALA 103 N 0.47 1.12 -2.38 1.32 0.00 0.14 -4.69 120.51 116.49 2rml n ALA 103 Ca -0.14 -0.99 -0.08 0.00 0.00 0.00 0.00 53.44 52.23 2rml n ALA 103 Cb 0.56 -0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 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 -7.37 0.42 -0.30 0.00 0.01 -0.73 -4.50 114.94 102.47 2rml s ASN 104 Ca -0.37 -0.84 -0.05 0.00 -0.71 0.00 0.00 52.86 50.90 2rml s ASN 104 Cb 0.13 0.17 0.17 0.00 0.41 0.00 0.00 41.25 42.13 2rml s ASN 104 CO 0.51 -0.50 0.66 0.00 -1.51 0.00 0.00 177.10 176.26 2rml s ALA 105 N -3.12 -2.32 -0.16 0.60 0.00 -1.18 -0.54 121.76 115.03 2rml s ALA 105 Ca -0.00 1.94 -0.13 0.00 0.00 0.00 0.00 51.96 53.77 2rml s ALA 105 Cb 0.02 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 2rml s ALA 105 CO -0.07 -1.23 0.26 -1.25 0.00 0.00 0.00 175.76 173.47 2rml s PRO 106 N 2.86 4.21 0.01 0.00 0.04 -1.13 -3.75 135.00 137.23 2rml s PRO 106 Ca 0.12 0.04 -0.20 0.00 0.04 0.00 0.00 61.00 61.01 2rml s PRO 106 Cb -0.14 -3.41 -0.06 0.00 0.04 0.00 0.00 34.50 30.94 2rml s PRO 106 CO -0.20 0.28 0.56 0.08 0.04 0.00 0.00 177.00 177.76 2rml s VAL 107 N 0.36 4.90 0.15 -0.36 1.01 -1.26 -2.27 120.40 122.93 2rml s VAL 107 Ca 0.15 1.18 -0.28 0.00 0.00 0.00 0.00 61.98 63.03 2rml s VAL 107 Cb -0.13 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 2rml s VAL 107 CO 0.03 0.46 0.88 0.21 0.00 0.00 0.00 175.10 176.68 2rml s ASN 108 N -0.43 7.47 0.04 3.32 3.84 0.65 -4.98 114.94 124.86 2rml s ASN 108 Ca 0.29 1.75 0.22 0.00 0.21 0.00 0.00 52.86 55.33 2rml s ASN 108 Cb -0.18 -2.55 -0.22 0.00 -0.55 0.00 0.00 41.25 37.74 2rml s ASN 108 CO 0.17 0.08 0.66 2.22 -2.79 0.00 0.00 177.10 177.44 2rml n PHE 109 N 2.13 0.34 -0.03 0.43 -1.74 -1.26 -3.85 117.46 113.47 2rml n PHE 109 Ca -0.02 0.10 -0.02 0.00 -0.56 0.00 0.00 57.45 56.96 2rml n PHE 109 Cb 0.49 -0.67 -0.07 0.00 1.52 0.00 0.00 39.48 40.74 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 -2.25 1.96 -0.01 1.98 0.00 -1.26 -4.58 120.51 116.35 2rml n ALA 110 Ca -0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 2rml n ALA 110 Cb 0.58 -0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.18 0.80 -2.09 0.00 7.99 -1.26 -5.00 117.00 115.25 2rml n LEU 111 Ca -0.11 0.37 -0.11 0.00 -0.01 0.00 0.00 56.01 56.15 2rml n LEU 111 Cb 0.63 0.16 0.04 0.00 -0.11 0.00 0.00 43.42 44.14 2rml n LEU 111 CO 0.20 0.30 0.10 -0.62 -1.51 0.00 0.00 177.39 175.86 2rml n GLU 112 N -2.96 -3.74 -4.54 3.23 1.02 -1.25 -4.96 120.64 107.44 2rml n GLU 112 Ca -0.15 0.41 -0.25 0.00 -0.02 0.00 0.00 57.16 57.15 2rml n GLU 112 Cb 0.98 -4.17 -0.11 0.00 -0.02 0.00 0.00 31.44 28.12 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 -3.16 1.52 -0.01 2.62 -4.23 -1.26 -0.49 115.64 110.62 2rml s THR 113 Ca 0.20 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2rml s THR 113 Cb -0.09 -2.84 0.01 0.00 1.34 0.00 0.00 72.50 70.92 2rml s THR 113 CO 0.36 0.00 0.03 0.54 -0.54 0.00 0.00 174.62 175.01 2rml s VAL 114 N -3.02 -0.01 -0.08 2.29 0.11 0.50 -0.25 120.40 119.93 2rml s VAL 114 Ca 0.34 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.33 2rml s VAL 114 Cb 0.09 -0.06 -0.05 0.00 -1.53 0.00 0.00 36.38 34.83 2rml s VAL 114 CO 0.16 0.02 0.26 -0.89 -3.33 0.00 0.00 175.10 171.32 2rml s THR 115 N 0.25 5.29 0.00 5.04 2.01 -0.96 -1.30 115.64 125.97 2rml s THR 115 Ca -0.02 0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.51 2rml s THR 115 Cb -0.03 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2rml s THR 115 CO -0.01 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.70 2rml s VAL 116 N -0.84 0.80 -0.17 3.82 1.01 0.35 -2.86 120.40 122.51 2rml s VAL 116 Ca 0.18 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2rml s VAL 116 Cb -0.14 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.58 2rml s VAL 116 CO 0.08 0.15 -0.12 -0.70 0.00 0.00 0.00 175.10 174.51 2rml s GLU 117 N -0.43 2.16 0.21 2.72 2.12 0.30 -0.97 118.70 124.80 2rml s GLU 117 Ca 0.03 -0.70 -0.23 0.00 0.36 0.00 0.00 54.97 54.43 2rml s GLU 117 Cb -0.05 -2.26 0.06 0.00 0.26 0.00 0.00 34.13 32.14 2rml s GLU 117 CO -0.00 -0.33 0.91 1.52 -0.54 0.00 0.00 175.26 176.81 2rml s TYR 118 N 1.44 -0.09 0.04 5.30 1.13 -0.67 -0.68 117.35 123.83 2rml s TYR 118 Ca 0.02 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.39 2rml s TYR 118 Cb -0.15 0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 2rml s TYR 118 CO -0.09 -0.99 0.07 0.54 -2.51 0.00 0.00 175.55 172.56 2rml s ASN 119 N -3.02 5.53 -0.01 -0.18 2.20 -1.25 -0.94 114.94 117.27 2rml s ASN 119 Ca 0.14 0.04 0.02 0.00 -0.94 0.00 0.00 52.86 52.12 2rml s ASN 119 Cb -0.03 -1.52 0.07 0.00 -2.00 0.00 0.00 41.25 37.78 2rml s ASN 119 CO 0.05 0.22 0.85 -0.81 -2.94 0.00 0.00 177.10 174.46 2rml n PRO 120 N 0.80 1.27 -0.12 3.55 -0.04 -1.26 -3.83 135.00 135.37 2rml n PRO 120 Ca -0.11 -0.28 -0.21 0.00 -0.04 0.00 0.00 63.50 62.86 2rml n PRO 120 Cb 0.52 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.12 0.56 0.00 0.54 4.76 -1.26 -4.74 118.16 117.90 2rml n LYS 121 Ca 0.03 0.18 0.10 0.00 -2.87 0.00 0.00 58.31 55.74 2rml n LYS 121 Cb 0.20 -1.43 -0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 -3.59 1.38 -3.79 1.97 -0.58 -1.25 -4.96 120.64 109.82 2rml n GLU 122 Ca -0.45 -0.98 -0.13 0.00 -0.42 0.00 0.00 57.16 55.19 2rml n GLU 122 Cb 0.90 -1.42 -0.10 0.00 -0.57 0.00 0.00 31.44 30.25 2rml n GLU 122 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rml s ALA 123 N -2.28 -0.62 0.23 0.62 0.00 -1.25 -4.44 121.76 114.01 2rml s ALA 123 Ca 0.17 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.62 2rml s ALA 123 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2rml s ALA 123 CO 0.51 -0.18 0.19 0.45 0.00 0.00 0.00 175.76 176.73 2rml n SER 124 N 2.12 -0.40 0.25 0.00 2.88 -1.26 -4.64 113.62 112.56 2rml n SER 124 Ca -0.18 -2.50 0.17 0.00 -1.33 0.00 0.00 58.87 55.03 2rml n SER 124 Cb 0.57 1.12 0.80 0.00 -0.75 0.00 0.00 64.21 65.96 2rml n SER 124 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2rml h VAL 125 N 1.72 0.00 0.53 2.46 -1.51 -2.02 -2.29 116.25 115.14 2rml h VAL 125 Ca -0.16 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 65.09 2rml h VAL 125 Cb 0.82 1.04 0.01 0.00 -2.13 0.00 0.00 31.29 31.03 2rml h VAL 125 CO 0.24 0.00 -0.26 0.28 -1.23 0.00 0.00 177.57 176.60 2rml h SER 126 N 0.00 -0.60 -0.36 4.19 0.02 -1.99 -1.60 113.55 113.20 2rml h SER 126 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2rml h SER 126 Cb 0.22 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2rml h SER 126 CO 0.00 -0.40 0.22 0.44 -1.14 0.00 0.00 176.83 175.95 2rml h ASP 127 N -0.75 0.36 0.06 3.07 5.19 -1.83 -0.66 116.42 121.86 2rml h ASP 127 Ca -0.07 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2rml h ASP 127 Cb 0.57 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.00 2rml h ASP 127 CO 0.12 0.26 -0.03 -0.07 -3.12 0.00 0.00 179.24 176.40 2rml h LEU 128 N 0.45 -0.07 0.38 1.55 3.38 -1.51 -0.34 115.31 119.14 2rml h LEU 128 Ca 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2rml h LEU 128 Cb -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2rml h LEU 128 CO -0.06 0.24 -0.21 0.11 0.09 0.00 0.00 178.44 178.61 2rml h LYS 129 N -0.39 -0.53 -0.15 1.13 1.57 -1.22 -2.60 116.57 114.39 2rml h LYS 129 Ca -0.01 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2rml h LYS 129 Cb 0.34 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2rml h LYS 129 CO 0.01 -0.35 0.10 0.93 -0.57 0.00 0.00 179.45 179.58 2rml h GLU 130 N -0.55 0.15 0.00 3.15 5.08 -1.12 0.23 114.58 121.53 2rml h GLU 130 Ca -0.05 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2rml h GLU 130 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2rml h GLU 130 CO 0.06 0.10 -0.28 0.00 -1.00 0.00 0.00 179.01 177.90 2rml h ALA 131 N 1.91 1.45 0.00 3.43 0.00 -0.80 -3.34 119.26 121.91 2rml h ALA 131 Ca 0.06 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 2rml h ALA 131 Cb 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2rml h ALA 131 CO -0.01 0.34 -1.90 0.28 0.00 0.00 0.00 179.25 177.96 2rml n VAL 132 N -4.08 0.90 0.08 0.00 0.31 -0.51 -4.60 118.33 110.42 2rml n VAL 132 Ca -0.02 -0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 63.66 2rml n VAL 132 Cb 0.34 -0.70 -0.05 0.00 -0.91 0.00 0.00 33.84 32.52 2rml n VAL 132 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2rml h ASP 133 N 0.00 -0.51 0.63 4.52 1.82 -0.71 -2.42 116.42 119.75 2rml h ASP 133 Ca -0.36 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 2rml h ASP 133 Cb 1.78 0.21 0.00 0.00 0.68 0.00 0.00 39.33 42.00 2rml h ASP 133 CO 0.01 -0.25 0.00 1.17 -1.61 0.00 0.00 179.24 178.56 2rml n LYS 134 N -5.31 0.08 0.03 0.28 4.81 -1.26 -1.17 118.16 115.63 2rml n LYS 134 Ca -0.06 0.30 0.13 0.00 -0.87 0.00 0.00 58.31 57.81 2rml n LYS 134 Cb 0.22 -1.64 0.37 0.00 0.02 0.00 0.00 35.03 34.01 2rml n LYS 134 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2rml n LEU 135 N -1.78 0.45 0.00 3.14 7.99 -0.92 -4.97 117.00 120.91 2rml n LEU 135 Ca 0.03 0.31 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2rml n LEU 135 Cb 0.21 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 2rml n LEU 135 CO 0.17 -0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.65 2rml n GLY 136 N 1.43 2.22 0.00 -0.72 0.00 -0.32 -5.11 105.19 102.69 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 -0.23 -0.55 -4.19 1.61 4.01 -1.20 -4.98 117.16 111.63 2rml n TYR 137 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 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 1.19 1.24 -0.07 -0.72 0.00 -1.25 -4.12 119.74 116.01 2rml s LYS 138 Ca 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 55.97 54.38 2rml s LYS 138 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 37.83 38.10 2rml s LYS 138 CO 0.00 -0.41 -0.21 -0.51 0.00 0.00 0.00 175.35 174.21 2rml s LEU 139 N -3.16 2.29 0.03 2.77 1.43 -1.26 -4.15 118.68 116.62 2rml s LEU 139 Ca 0.38 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 2rml s LEU 139 Cb 0.06 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 2rml s LEU 139 CO 0.13 0.25 -0.23 -0.54 0.23 0.00 0.00 176.35 176.18 2rml s LYS 140 N -0.18 1.66 0.27 1.70 1.02 -0.52 -4.97 119.74 118.71 2rml s LYS 140 Ca -0.02 -0.98 -0.14 0.00 0.02 0.00 0.00 55.97 54.85 2rml s LYS 140 Cb -0.14 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.34 2rml s LYS 140 CO 0.03 0.46 0.67 -0.51 -0.92 0.00 0.00 175.35 175.09 2rml s LEU 141 N -1.05 4.15 -0.21 3.17 1.02 -1.26 -0.63 118.68 123.87 2rml s LEU 141 Ca 0.09 1.20 -0.12 0.00 0.02 0.00 0.00 54.13 55.32 2rml s LEU 141 Cb -0.09 -3.84 -0.05 0.00 0.02 0.00 0.00 46.19 42.23 2rml s LEU 141 CO 0.01 -0.11 0.24 -0.75 0.02 0.00 0.00 176.35 175.76 2rml s LYS 142 N -2.70 4.15 0.00 1.70 2.20 -1.22 -0.94 119.74 122.92 2rml s LYS 142 Ca 0.49 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 2rml s LYS 142 Cb -0.12 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2rml s LYS 142 CO 0.19 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.69 2rml n GLY 143 N 3.92 0.98 0.00 5.54 0.00 -0.04 -4.60 105.19 110.99 2rml n GLY 143 Ca -0.13 -0.01 0.07 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 0.00 0.13 0.00 1.61 2.13 -1.26 -4.53 120.64 118.72 2rml n GLU 144 Ca 0.00 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2rml n GLU 144 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 2rml n GLU 144 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2rml n GLN 145 N -1.36 0.00 0.00 5.31 7.27 -1.04 -4.89 117.38 122.67 2rml n GLN 145 Ca 0.05 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.22 2rml n GLN 145 Cb 0.13 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.74 2rml n GLN 145 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2rml n ASP 146 N -1.82 1.52 0.00 1.69 9.92 -0.12 -4.97 116.55 122.77 2rml n ASP 146 Ca 0.00 -1.26 0.00 0.00 -0.53 0.00 0.00 54.79 53.00 2rml n ASP 146 Cb 0.00 0.65 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 2rml n ASP 146 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09