#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 2.18 0.00 -0.89 1.43 -1.26 -5.13 118.68 115.01 2rml s LEU 2 Ca 0.00 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 2rml s LEU 2 Cb 0.00 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 45.95 2rml s LEU 2 CO 0.00 -0.52 0.00 -0.24 0.23 0.00 0.00 176.35 175.82 2rml n SER 3 N -0.42 0.00 0.00 2.29 2.88 -1.26 -4.71 113.62 112.40 2rml n SER 3 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2rml n SER 3 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 2rml n SER 3 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2rml n GLU 4 N 0.00 0.00 -2.88 -1.46 0.28 -1.26 -5.10 120.64 110.22 2rml n GLU 4 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2rml n GLU 4 Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 2rml n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2rml s GLN 5 N 0.00 4.21 0.19 3.44 1.11 -1.26 -4.31 119.66 123.03 2rml s GLN 5 Ca 0.00 0.97 0.09 0.00 0.01 0.00 0.00 55.36 56.44 2rml s GLN 5 Cb 0.00 -3.63 -0.04 0.00 -1.01 0.00 0.00 33.01 28.32 2rml s GLN 5 CO 0.00 -0.49 -0.19 0.15 0.01 0.00 0.00 175.29 174.77 2rml s LYS 6 N 2.74 1.36 0.65 2.91 3.01 -0.41 -4.79 119.74 125.22 2rml s LYS 6 Ca 0.36 -1.49 -0.08 0.00 -1.01 0.00 0.00 55.97 53.74 2rml s LYS 6 Cb -0.15 -1.43 0.02 0.00 -1.01 0.00 0.00 37.83 35.26 2rml s LYS 6 CO 0.08 0.28 1.00 -1.83 0.51 0.00 0.00 175.35 175.39 2rml s GLU 7 N -2.97 2.78 -0.03 1.68 1.03 -1.26 -1.58 118.70 118.35 2rml s GLU 7 Ca 0.19 0.14 -0.30 0.00 0.03 0.00 0.00 54.97 55.03 2rml s GLU 7 Cb -0.05 -2.16 0.11 0.00 -0.80 0.00 0.00 34.13 31.23 2rml s GLU 7 CO 0.08 -0.92 0.96 -1.50 -1.33 0.00 0.00 175.26 172.55 2rml s ILE 8 N -3.18 0.00 0.01 1.83 1.10 -0.37 -4.95 121.20 115.64 2rml s ILE 8 Ca 0.56 -0.03 -0.01 0.00 -0.51 0.00 0.00 60.65 60.66 2rml s ILE 8 Cb -0.11 -1.06 -0.01 0.00 0.15 0.00 0.00 42.46 41.43 2rml s ILE 8 CO 0.48 0.00 0.01 0.00 -2.11 0.00 0.00 174.94 173.31 2rml s ALA 9 N -2.98 0.01 0.03 1.50 0.00 -1.26 -0.75 121.76 118.30 2rml s ALA 9 Ca 0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 2rml s ALA 9 Cb -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 2rml s ALA 9 CO -0.08 -0.10 0.13 -1.64 0.00 0.00 0.00 175.76 174.07 2rml s MET 10 N -0.82 0.58 0.68 0.00 -1.94 -0.55 -1.82 119.30 115.42 2rml s MET 10 Ca -0.09 -0.62 -0.15 0.00 -1.71 0.00 0.00 55.69 53.12 2rml s MET 10 Cb -0.06 0.23 0.01 0.00 2.01 0.00 0.00 34.83 37.03 2rml s MET 10 CO -0.00 -0.15 1.15 -0.65 -0.01 0.00 0.00 175.02 175.36 2rml s GLN 11 N -2.22 2.55 -0.32 2.03 1.11 -1.26 -0.67 119.66 120.87 2rml s GLN 11 Ca -0.08 1.55 -0.01 0.00 0.01 0.00 0.00 55.36 56.83 2rml s GLN 11 Cb -0.03 -1.90 0.13 0.00 -1.01 0.00 0.00 33.01 30.19 2rml s GLN 11 CO -0.02 -1.47 0.22 0.54 0.01 0.00 0.00 175.29 174.56 2rml s VAL 12 N -2.17 -0.08 0.26 1.09 0.11 0.69 -4.76 120.40 115.54 2rml s VAL 12 Ca 0.70 -1.11 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 2rml s VAL 12 Cb -0.24 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2rml s VAL 12 CO 0.42 -0.77 0.36 -0.55 -3.33 0.00 0.00 175.10 171.23 2rml s SER 13 N 1.66 6.17 0.00 3.54 0.15 -0.33 -4.48 113.70 120.41 2rml s SER 13 Ca 0.14 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2rml s SER 13 Cb -0.18 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2rml s SER 13 CO -0.17 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2rml n GLY 14 N -1.43 0.59 0.00 9.45 0.00 -1.26 -1.09 105.19 111.45 2rml n GLY 14 Ca -0.07 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.76 0.76 0.00 1.61 2.00 -1.26 -4.51 117.12 112.96 2rml n MET 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2rml n MET 15 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 33.22 32.16 2rml n MET 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2rml n THR 16 N -0.56 0.25 0.88 2.03 -2.24 -1.26 -0.74 114.28 112.63 2rml n THR 16 Ca 0.02 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 2rml n THR 16 Cb 0.01 -0.61 0.07 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.96 0.00 0.17 0.00 0.00 0.08 -4.51 120.51 117.22 2rml n ALA 18 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.60 2rml n ALA 18 Cb 0.51 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.15 2rml n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml n ALA 19 N 0.00 1.22 -0.31 0.00 0.00 -1.26 -1.43 120.51 118.73 2rml n ALA 19 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2rml n ALA 19 Cb 0.00 -1.13 0.19 0.00 0.00 0.00 0.00 19.45 18.51 2rml n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 21 N 1.86 -0.98 -0.70 0.00 0.00 -1.55 -0.48 119.26 117.42 2rml h ALA 21 Ca 0.48 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.36 2rml h ALA 21 Cb 0.87 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 2rml h ALA 21 CO -0.83 -1.12 0.37 0.00 0.00 0.00 0.00 179.25 177.67 2rml h ALA 22 N -0.50 0.95 -0.56 0.00 0.00 -1.56 -1.32 119.26 116.26 2rml h ALA 22 Ca -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2rml h ALA 22 Cb 0.76 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2rml h ALA 22 CO -0.27 0.01 0.04 0.00 0.00 0.00 0.00 179.25 179.02 2rml h ARG 23 N 0.65 0.93 0.17 0.00 2.47 -0.73 -2.38 114.38 115.50 2rml h ARG 23 Ca 0.33 -0.25 -0.25 0.00 -1.26 0.00 0.00 59.98 58.54 2rml h ARG 23 Cb 0.28 -0.11 0.03 0.00 -1.65 0.00 0.00 29.97 28.52 2rml h ARG 23 CO -0.22 0.90 -1.09 0.82 0.56 0.00 0.00 179.97 180.94 2rml h ILE 24 N 0.87 1.40 0.12 2.04 5.03 -0.43 -1.38 117.51 125.16 2rml h ILE 24 Ca 0.17 -2.56 -0.01 0.00 -0.12 0.00 0.00 64.86 62.34 2rml h ILE 24 Cb 0.46 3.07 0.00 0.00 -3.03 0.00 0.00 36.82 37.32 2rml h ILE 24 CO 0.02 0.75 -0.06 -0.33 -0.68 0.00 0.00 178.15 177.85 2rml h GLU 25 N -0.11 -0.16 -0.99 2.37 5.08 -1.34 -0.08 114.58 119.35 2rml h GLU 25 Ca -0.19 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2rml h GLU 25 Cb 1.84 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 31.07 2rml h GLU 25 CO 0.20 -0.07 0.65 -0.22 -1.00 0.00 0.00 179.01 178.57 2rml h LYS 26 N -0.20 1.23 -0.53 2.33 3.64 -1.53 -1.00 116.57 120.50 2rml h LYS 26 Ca -0.02 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2rml h LYS 26 Cb 0.16 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2rml h LYS 26 CO 0.03 0.81 -0.00 0.78 -2.27 0.00 0.00 179.45 178.79 2rml h GLY 27 N 1.26 0.99 1.16 5.01 0.00 -0.89 -2.37 103.07 108.23 2rml h GLY 27 Ca 0.39 -0.69 -0.21 0.00 0.00 0.00 0.00 47.33 46.82 2rml h GLY 27 CO -0.12 0.64 -0.71 1.41 0.00 0.00 0.00 176.54 177.76 2rml h LEU 28 N 0.84 0.95 0.00 3.11 3.38 -0.78 -2.96 115.31 119.85 2rml h LEU 28 Ca 0.16 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2rml h LEU 28 Cb 0.51 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2rml h LEU 28 CO 0.03 1.40 0.00 1.17 0.09 0.00 0.00 178.44 181.12 2rml n LYS 29 N -3.97 0.01 -0.10 1.13 0.00 -0.40 -1.06 118.16 113.77 2rml n LYS 29 Ca -0.07 0.42 0.11 0.00 0.00 0.00 0.00 58.31 58.77 2rml n LYS 29 Cb 0.71 -1.50 0.33 0.00 0.00 0.00 0.00 35.03 34.58 2rml n LYS 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2rml n ARG 30 N -1.48 1.93 -3.34 1.64 5.12 -0.90 -4.94 116.66 114.69 2rml n ARG 30 Ca 0.01 -1.40 -0.27 0.00 -1.93 0.00 0.00 57.85 54.26 2rml n ARG 30 Cb 0.04 -1.43 -0.03 0.00 -1.16 0.00 0.00 32.46 29.89 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 -1.74 3.59 -0.01 5.56 -1.94 -0.23 -5.08 119.30 119.44 2rml s MET 31 Ca 0.34 -0.08 -0.05 0.00 -1.71 0.00 0.00 55.69 54.18 2rml s MET 31 Cb 0.19 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 2rml s MET 31 CO 0.28 0.19 0.48 -1.00 -0.01 0.00 0.00 175.02 174.96 2rml h PRO 32 N 1.43 -0.18 -0.61 2.03 0.13 -1.90 -3.36 132.00 129.55 2rml h PRO 32 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2rml h PRO 32 Cb 1.20 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2rml h PRO 32 CO 0.65 -0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.71 2rml n GLY 33 N 0.66 0.57 3.47 1.56 0.00 -1.26 -4.71 105.19 105.48 2rml n GLY 33 Ca -0.02 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.41 5.20 -0.02 1.61 1.01 -1.26 -1.16 120.40 124.39 2rml s VAL 34 Ca 0.01 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.57 2rml s VAL 34 Cb 0.01 -3.95 -0.23 0.00 0.00 0.00 0.00 36.38 32.21 2rml s VAL 34 CO 0.01 -0.32 0.76 0.00 0.00 0.00 0.00 175.10 175.55 2rml h THR 35 N 5.65 1.01 -2.65 3.92 1.03 -1.21 -3.47 112.91 117.19 2rml h THR 35 Ca -0.27 -2.80 -0.02 0.00 -0.01 0.00 0.00 66.41 63.30 2rml h THR 35 Cb 1.12 2.54 -0.14 0.00 -1.07 0.00 0.00 68.15 70.59 2rml h THR 35 CO 0.74 0.64 0.23 -0.62 -0.01 0.00 0.00 175.52 176.50 2rml s ASP 36 N -6.37 -0.58 -0.16 0.00 -1.08 -0.72 -5.01 116.67 102.75 2rml s ASP 36 Ca -0.06 0.21 -0.13 0.00 -0.52 0.00 0.00 52.55 52.06 2rml s ASP 36 Cb 0.08 0.57 0.04 0.00 -1.46 0.00 0.00 42.92 42.15 2rml s ASP 36 CO 0.82 -0.84 0.40 0.00 0.52 0.00 0.00 175.17 176.08 2rml s ALA 37 N -2.93 -1.01 -0.06 3.66 0.00 -1.26 -0.69 121.76 119.47 2rml s ALA 37 Ca -0.02 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 2rml s ALA 37 Cb -0.01 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.42 2rml s ALA 37 CO -0.06 -0.21 0.29 0.54 0.00 0.00 0.00 175.76 176.32 2rml s ASN 38 N 0.46 -0.23 -0.13 0.00 2.20 -0.50 -4.89 114.94 111.85 2rml s ASN 38 Ca -0.02 0.33 -0.06 0.00 -0.94 0.00 0.00 52.86 52.17 2rml s ASN 38 Cb -0.04 0.46 -0.04 0.00 -2.00 0.00 0.00 41.25 39.63 2rml s ASN 38 CO -0.02 -0.26 0.09 0.54 -2.94 0.00 0.00 177.10 174.51 2rml s VAL 39 N -0.54 5.03 -1.97 3.54 0.11 -1.26 -0.67 120.40 124.63 2rml s VAL 39 Ca -0.07 0.03 0.25 0.00 -2.93 0.00 0.00 61.98 59.27 2rml s VAL 39 Cb -0.04 -3.20 0.22 0.00 -1.53 0.00 0.00 36.38 31.83 2rml s VAL 39 CO 0.02 0.57 1.44 -0.46 -3.33 0.00 0.00 175.10 173.34 2rml n ASN 40 N 2.47 1.45 0.00 3.54 0.23 -0.28 -4.99 115.26 117.68 2rml n ASN 40 Ca -0.19 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 2rml n ASN 40 Cb 0.54 0.21 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 2rml n ASN 40 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2rml n LEU 41 N -0.29 0.00 0.10 -4.53 0.00 -1.26 -4.27 117.00 106.75 2rml n LEU 41 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 56.01 56.21 2rml n LEU 41 Cb 0.39 0.00 0.38 0.00 0.00 0.00 0.00 43.42 44.20 2rml n LEU 41 CO 0.25 0.00 0.73 0.00 0.00 0.00 0.00 177.39 178.37 2rml n ALA 42 N 0.14 1.15 0.07 1.96 0.00 -1.26 -0.91 120.51 121.66 2rml n ALA 42 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.56 2rml n ALA 42 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2rml n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2rml n THR 43 N -1.98 0.00 -1.73 0.00 -2.24 -1.26 -5.03 114.28 102.05 2rml n THR 43 Ca -0.00 -0.49 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 2rml n THR 43 Cb 0.06 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2rml n GLU 44 N -0.20 -0.56 -4.60 -0.78 2.13 -0.08 -4.95 120.64 111.59 2rml n GLU 44 Ca 0.01 0.54 -0.34 0.00 0.66 0.00 0.00 57.16 58.03 2rml n GLU 44 Cb 0.04 -4.41 -0.12 0.00 0.27 0.00 0.00 31.44 27.21 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 -2.33 3.61 -0.13 6.31 2.01 -1.26 -0.22 115.64 123.62 2rml s THR 45 Ca 0.00 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.42 2rml s THR 45 Cb 0.00 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 2rml s THR 45 CO 0.00 0.55 0.19 -0.44 -0.69 0.00 0.00 174.62 174.23 2rml s SER 46 N -0.19 6.40 -0.20 3.53 0.01 0.15 -1.13 113.70 122.27 2rml s SER 46 Ca 0.02 0.47 -0.01 0.00 1.31 0.00 0.00 55.95 57.74 2rml s SER 46 Cb -0.13 -2.11 0.01 0.00 0.21 0.00 0.00 66.02 63.99 2rml s SER 46 CO 0.03 0.29 -0.14 0.20 0.41 0.00 0.00 173.24 174.03 2rml s ASN 47 N -0.42 3.60 0.02 2.44 0.01 0.16 -1.49 114.94 119.25 2rml s ASN 47 Ca 0.14 -0.54 -0.02 0.00 -0.71 0.00 0.00 52.86 51.72 2rml s ASN 47 Cb -0.12 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.94 2rml s ASN 47 CO 0.03 -0.01 0.03 0.68 -1.51 0.00 0.00 177.10 176.32 2rml s VAL 48 N 1.36 0.11 -0.07 1.60 -7.23 0.07 -1.41 120.40 114.82 2rml s VAL 48 Ca 0.05 -0.87 -0.00 0.00 -1.81 0.00 0.00 61.98 59.35 2rml s VAL 48 Cb -0.14 -0.36 0.02 0.00 0.56 0.00 0.00 36.38 36.47 2rml s VAL 48 CO -0.09 -0.48 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.56 2rml s ILE 49 N -1.53 0.54 0.11 -0.62 1.09 0.14 -1.23 121.20 119.69 2rml s ILE 49 Ca -0.15 -0.04 -0.25 0.00 -1.10 0.00 0.00 60.65 59.11 2rml s ILE 49 Cb -0.09 -0.63 0.07 0.00 -1.06 0.00 0.00 42.46 40.76 2rml s ILE 49 CO -0.01 0.26 0.82 -0.72 -0.10 0.00 0.00 174.94 175.20 2rml s TYR 50 N 1.53 -0.32 0.06 3.97 -0.85 -0.61 -0.72 117.35 120.41 2rml s TYR 50 Ca -0.01 0.08 -0.21 0.00 -0.52 0.00 0.00 57.07 56.41 2rml s TYR 50 Cb -0.13 0.59 -0.06 0.00 0.38 0.00 0.00 41.96 42.74 2rml s TYR 50 CO -0.04 -0.77 0.63 0.34 -1.52 0.00 0.00 175.55 174.19 2rml s ASP 51 N -2.72 7.10 0.00 -0.18 2.15 -0.31 -1.28 116.67 121.43 2rml s ASP 51 Ca 0.07 1.31 0.28 0.00 0.43 0.00 0.00 52.55 54.64 2rml s ASP 51 Cb -0.02 -2.39 1.16 0.00 -0.30 0.00 0.00 42.92 41.37 2rml s ASP 51 CO -0.05 0.18 1.81 -0.81 -0.17 0.00 0.00 175.17 176.13 2rml n PRO 52 N 2.14 1.17 -0.06 4.34 -0.04 -1.26 -1.95 135.00 139.35 2rml n PRO 52 Ca -0.08 -0.56 -0.12 0.00 -0.04 0.00 0.00 63.50 62.71 2rml n PRO 52 Cb 0.50 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.43 1.90 0.59 0.55 0.00 -1.26 -4.25 120.51 117.62 2rml n ALA 53 Ca 0.17 -0.56 0.06 0.00 0.00 0.00 0.00 53.44 53.12 2rml n ALA 53 Cb 0.30 0.22 0.31 0.00 0.00 0.00 0.00 19.45 20.28 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 -3.85 0.20 0.19 0.00 4.71 -1.26 -4.50 120.64 116.13 2rml n GLU 54 Ca -0.21 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 2rml n GLU 54 Cb 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 2rml n GLU 54 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2rml n THR 55 N -1.24 0.00 0.00 2.62 -1.04 -1.21 -4.26 114.28 109.14 2rml n THR 55 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2rml n THR 55 Cb 0.09 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2rml n THR 55 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rml n GLY 56 N -0.90 -2.33 0.33 3.41 0.00 -0.82 -4.47 105.19 100.41 2rml n GLY 56 Ca 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.59 2rml n GLY 56 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2rml h THR 57 N 0.00 1.26 -0.65 2.61 2.02 -1.87 -2.42 112.91 113.87 2rml h THR 57 Ca 0.00 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.30 2rml h THR 57 Cb 0.00 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2rml h THR 57 CO 0.00 0.35 0.43 0.00 0.37 0.00 0.00 175.52 176.67 2rml h ALA 58 N 1.16 1.58 -0.19 6.16 0.00 -1.89 -1.65 119.26 124.43 2rml h ALA 58 Ca 0.24 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2rml h ALA 58 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2rml h ALA 58 CO -0.01 0.38 -0.41 0.00 0.00 0.00 0.00 179.25 179.21 2rml h ALA 59 N 1.61 0.94 0.74 0.00 0.00 -1.66 -1.52 119.26 119.37 2rml h ALA 59 Ca 0.25 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2rml h ALA 59 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2rml h ALA 59 CO -0.06 0.63 -0.40 0.82 0.00 0.00 0.00 179.25 180.24 2rml h ILE 60 N 0.37 0.19 -0.43 0.00 5.03 -1.22 -2.11 117.51 119.34 2rml h ILE 60 Ca 0.03 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.70 2rml h ILE 60 Cb 0.88 0.19 -0.02 0.00 -3.03 0.00 0.00 36.82 34.84 2rml h ILE 60 CO 0.07 0.00 -0.01 0.06 -0.68 0.00 0.00 178.15 177.59 2rml h GLN 61 N -1.05 0.70 -0.75 2.37 3.07 -1.22 -1.35 115.11 116.87 2rml h GLN 61 Ca -0.10 -0.18 -0.06 0.00 0.09 0.00 0.00 58.65 58.40 2rml h GLN 61 Cb 0.83 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 28.27 2rml h GLN 61 CO 0.14 0.73 0.24 1.49 0.09 0.00 0.00 178.83 181.51 2rml h GLU 62 N 0.66 1.16 -0.34 0.06 4.81 -1.32 -0.20 114.58 119.40 2rml h GLU 62 Ca 0.13 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 58.97 2rml h GLU 62 Cb 0.43 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2rml h GLU 62 CO 0.02 0.98 -0.37 -0.22 -0.73 0.00 0.00 179.01 178.69 2rml h LYS 63 N 1.11 0.79 -0.45 1.92 1.63 -0.66 -1.26 116.57 119.65 2rml h LYS 63 Ca 0.24 -0.40 -0.06 0.00 -0.85 0.00 0.00 60.65 59.58 2rml h LYS 63 Cb 0.30 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 2rml h LYS 63 CO -0.01 1.03 0.04 0.82 -3.45 0.00 0.00 179.45 177.88 2rml h ILE 64 N 0.65 1.25 -0.01 2.00 2.04 -1.11 -2.94 117.51 119.40 2rml h ILE 64 Ca 0.06 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 2rml h ILE 64 Cb 0.92 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2rml h ILE 64 CO 0.08 0.33 -0.16 -0.33 0.00 0.00 0.00 178.15 178.08 2rml h GLU 65 N 0.63 0.01 0.00 2.37 4.39 -0.93 -0.73 114.58 120.32 2rml h GLU 65 Ca 0.13 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2rml h GLU 65 Cb 0.43 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2rml h GLU 65 CO 0.01 0.17 0.00 0.87 -1.16 0.00 0.00 179.01 178.91 2rml h LYS 66 N 0.01 0.00 0.00 2.33 1.79 -1.04 -1.78 116.57 117.88 2rml h LYS 66 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2rml h LYS 66 Cb 0.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 2rml h LYS 66 CO 0.02 0.00 -0.65 -0.07 -1.08 0.00 0.00 179.45 177.67 2rml h LEU 67 N 0.00 0.00 0.00 2.94 -0.00 -1.07 -3.49 115.31 113.69 2rml h LEU 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2rml h LEU 67 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2rml h LEU 67 CO 0.00 0.65 0.00 0.61 -0.00 0.00 0.00 178.44 179.70 2rml n GLY 68 N 0.77 1.20 0.00 0.83 0.00 -0.67 -5.13 105.19 102.19 2rml n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rml n GLY 68 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2rml n TYR 69 N -1.57 -1.78 -4.01 1.61 4.11 -1.26 -5.10 117.16 109.17 2rml n TYR 69 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.60 2rml n TYR 69 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.18 2rml n TYR 69 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2rml s HIS 70 N -0.47 2.36 0.02 -3.48 3.76 -0.25 -4.93 115.29 112.30 2rml s HIS 70 Ca 0.00 -1.48 0.32 0.00 -0.15 0.00 0.00 55.06 53.75 2rml s HIS 70 Cb 0.00 -1.64 1.46 0.00 1.11 0.00 0.00 32.58 33.51 2rml s HIS 70 CO 0.00 -0.72 1.95 -0.24 -0.85 0.00 0.00 174.74 174.87 2rml h VAL 71 N 6.26 0.00 -5.79 -0.90 3.04 -1.90 -0.85 116.25 116.11 2rml h VAL 71 Ca -0.32 -0.26 -0.36 0.00 -1.01 0.00 0.00 66.70 64.75 2rml h VAL 71 Cb 1.11 1.11 0.13 0.00 -2.01 0.00 0.00 31.29 31.64 2rml h VAL 71 CO 0.50 0.00 -0.77 0.55 -1.01 0.00 0.00 177.57 176.84 2rml n VAL 72 N -2.74 -5.18 -3.88 1.51 3.14 -1.26 -4.75 118.33 105.17 2rml n VAL 72 Ca -0.00 -0.43 -0.29 0.00 -2.96 0.00 0.00 64.34 60.66 2rml n VAL 72 Cb 0.20 -4.54 -0.04 0.00 -1.06 0.00 0.00 33.84 28.41 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2rml s THR 73 N -3.42 5.32 0.09 1.55 -4.23 -1.26 -4.38 115.64 109.31 2rml s THR 73 Ca 0.09 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 2rml s THR 73 Cb -0.04 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 2rml s THR 73 CO 0.75 0.01 -0.06 -0.70 -0.54 0.00 0.00 174.62 174.08 2rml s GLU 74 N -2.87 0.81 0.07 3.99 2.12 -0.20 -4.97 118.70 117.64 2rml s GLU 74 Ca 0.36 -1.30 0.09 0.00 0.36 0.00 0.00 54.97 54.47 2rml s GLU 74 Cb -0.12 -0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.04 2rml s GLU 74 CO 0.28 -0.02 -0.22 -1.59 -0.54 0.00 0.00 175.26 173.17 2rml s LYS 75 N -3.72 1.82 0.07 4.30 -2.85 -1.26 -1.68 119.74 116.42 2rml s LYS 75 Ca 0.11 -1.12 -0.06 0.00 -1.00 0.00 0.00 55.97 53.89 2rml s LYS 75 Cb 0.05 -2.06 -0.01 0.00 -2.06 0.00 0.00 37.83 33.74 2rml s LYS 75 CO -0.05 0.50 0.12 0.00 0.10 0.00 0.00 175.35 176.03 2rml s ALA 76 N -0.96 -0.01 -0.02 0.59 0.00 -0.14 -5.01 121.76 116.20 2rml s ALA 76 Ca 0.14 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.36 2rml s ALA 76 Cb -0.10 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 2rml s ALA 76 CO 0.05 -0.46 -0.14 -1.21 0.00 0.00 0.00 175.76 174.00 2rml s GLU 77 N -3.81 1.31 0.15 0.00 2.02 -1.26 -0.56 118.70 116.55 2rml s GLU 77 Ca 0.05 -0.50 0.07 0.00 0.02 0.00 0.00 54.97 54.61 2rml s GLU 77 Cb 0.05 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.03 2rml s GLU 77 CO -0.10 0.25 -0.16 -0.06 0.02 0.00 0.00 175.26 175.21 2rml s PHE 78 N -0.12 1.63 -0.19 1.61 0.40 -0.22 -2.25 117.98 118.84 2rml s PHE 78 Ca 0.01 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 55.78 2rml s PHE 78 Cb -0.08 -0.82 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 2rml s PHE 78 CO 0.00 0.25 -0.01 0.34 0.70 0.00 0.00 175.22 176.50 2rml s ASP 79 N -2.61 4.75 0.10 1.36 2.15 0.10 -0.87 116.67 121.65 2rml s ASP 79 Ca 0.13 -0.21 -0.30 0.00 0.43 0.00 0.00 52.55 52.60 2rml s ASP 79 Cb -0.05 -1.80 -0.06 0.00 -0.30 0.00 0.00 42.92 40.71 2rml s ASP 79 CO 0.05 0.08 1.01 -0.63 -0.17 0.00 0.00 175.17 175.51 2rml s ILE 80 N 0.92 4.40 -0.19 4.11 1.09 0.48 -1.10 121.20 130.90 2rml s ILE 80 Ca 0.01 1.92 -0.03 0.00 -1.10 0.00 0.00 60.65 61.45 2rml s ILE 80 Cb -0.14 -4.23 -0.01 0.00 -1.06 0.00 0.00 42.46 37.02 2rml s ILE 80 CO 0.02 0.26 -0.07 -0.70 -0.10 0.00 0.00 174.94 174.35 2rml s GLU 81 N 0.21 3.42 0.00 2.79 2.12 -0.50 -4.67 118.70 122.07 2rml s GLU 81 Ca 0.49 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2rml s GLU 81 Cb -0.25 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2rml s GLU 81 CO 0.30 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 2rml n GLY 82 N 4.31 3.21 3.89 -1.50 0.00 -1.26 -1.62 105.19 112.22 2rml n GLY 82 Ca -0.18 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 3.64 0.00 1.61 0.23 -1.26 -4.94 119.30 118.58 2rml s MET 83 Ca 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 55.69 54.61 2rml s MET 83 Cb 0.00 -2.90 0.00 0.00 -1.53 0.00 0.00 34.83 30.40 2rml s MET 83 CO 0.00 0.50 0.00 0.25 -2.03 0.00 0.00 175.02 173.74 2rml n THR 84 N 0.34 0.00 -3.88 3.16 -2.24 -1.26 -4.91 114.28 105.49 2rml n THR 84 Ca -0.04 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 2rml n THR 84 Cb 0.52 0.99 0.02 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.19 -0.46 0.00 0.00 -1.98 -0.97 119.26 118.03 2rml h ALA 86 Ca -0.27 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2rml h ALA 86 Cb 1.22 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 2rml h ALA 86 CO 0.35 -0.50 0.29 0.00 0.00 0.00 0.00 179.25 179.39 2rml h ALA 87 N 1.29 1.64 -0.18 0.00 0.00 -1.98 -0.48 119.26 119.56 2rml h ALA 87 Ca 0.20 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 2rml h ALA 87 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2rml h ALA 87 CO -0.45 0.32 -0.61 0.00 0.00 0.00 0.00 179.25 178.52 2rml h ALA 89 N 0.88 0.18 -0.98 0.00 0.00 -1.18 -3.32 119.26 114.84 2rml h ALA 89 Ca -0.00 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2rml h ALA 89 Cb 1.17 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2rml h ALA 89 CO 0.12 -0.09 0.64 -0.97 0.00 0.00 0.00 179.25 178.94 2rml h ASN 90 N -0.04 1.03 -0.88 0.00 -0.73 -0.86 -0.75 115.58 113.35 2rml h ASN 90 Ca 0.04 0.01 0.21 0.00 1.87 0.00 0.00 56.30 58.42 2rml h ASN 90 Cb 0.41 -0.21 -0.16 0.00 0.27 0.00 0.00 38.32 38.63 2rml h ASN 90 CO 0.01 0.66 -0.05 0.03 -0.37 0.00 0.00 177.43 177.72 2rml h ARG 91 N 1.17 0.04 0.06 6.67 3.08 -1.31 -2.48 114.38 121.62 2rml h ARG 91 Ca 0.42 -0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.19 2rml h ARG 91 Cb 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2rml h ARG 91 CO -0.16 0.03 -1.44 -0.84 -1.07 0.00 0.00 179.97 176.48 2rml h ILE 92 N 0.05 1.22 -0.34 2.04 3.07 -1.30 -3.40 117.51 118.85 2rml h ILE 92 Ca 0.48 -2.93 0.07 0.00 1.55 0.00 0.00 64.86 64.04 2rml h ILE 92 Cb 0.88 2.70 -0.08 0.00 -0.27 0.00 0.00 36.82 40.05 2rml h ILE 92 CO -0.82 0.78 -0.30 -0.08 -1.05 0.00 0.00 178.15 176.68 2rml h GLU 93 N 0.03 -0.26 0.00 0.16 4.22 -0.75 0.19 114.58 118.19 2rml h GLU 93 Ca -0.20 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.26 2rml h GLU 93 Cb 1.95 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2rml h GLU 93 CO 0.13 -0.17 0.22 -0.22 -2.18 0.00 0.00 179.01 176.80 2rml h LYS 94 N -0.27 0.00 0.00 1.92 3.64 -1.75 -0.66 116.57 119.46 2rml h LYS 94 Ca 0.16 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.13 2rml h LYS 94 Cb 0.52 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 2rml h LYS 94 CO -0.49 0.00 -2.43 -2.13 -2.27 0.00 0.00 179.45 172.14 2rml n ARG 95 N -2.93 0.58 -0.22 1.90 0.63 -0.38 -4.61 116.66 111.63 2rml n ARG 95 Ca -0.02 0.19 0.09 0.00 -0.92 0.00 0.00 57.85 57.19 2rml n ARG 95 Cb 0.28 -1.46 0.37 0.00 0.45 0.00 0.00 32.46 32.10 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 -0.48 0.65 -1.08 6.15 -0.00 -0.05 -1.89 115.31 118.61 2rml h LEU 96 Ca -0.61 0.02 0.27 0.00 -0.00 0.00 0.00 57.88 57.56 2rml h LEU 96 Cb 1.71 -0.12 -0.12 0.00 -0.00 0.00 0.00 40.66 42.13 2rml h LEU 96 CO -0.25 0.38 0.61 -1.13 -0.00 0.00 0.00 178.44 178.06 2rml h ASN 97 N 0.72 0.60 -1.16 -0.43 -0.73 -1.38 -3.35 115.58 109.84 2rml h ASN 97 Ca 0.38 0.13 -0.30 0.00 1.87 0.00 0.00 56.30 58.38 2rml h ASN 97 Cb 0.49 0.05 -0.23 0.00 0.27 0.00 0.00 38.32 38.90 2rml h ASN 97 CO -0.15 0.06 -0.66 0.29 -0.37 0.00 0.00 177.43 176.61 2rml n LYS 98 N -4.85 0.54 0.00 6.67 5.02 -0.74 -4.63 118.16 120.16 2rml n LYS 98 Ca 0.28 -2.33 0.00 0.00 -2.02 0.00 0.00 58.31 54.24 2rml n LYS 98 Cb 0.82 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 2.47 0.00 -4.00 -0.18 5.41 -1.01 -4.93 119.36 117.12 2rml n ILE 99 Ca 0.19 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.67 2rml n ILE 99 Cb 0.56 -0.03 -0.17 0.00 -0.71 0.00 0.00 39.64 39.28 2rml n ILE 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2rml s GLU 100 N 0.00 1.54 0.00 0.38 8.01 -1.26 -4.78 118.70 122.58 2rml s GLU 100 Ca 0.00 -0.27 0.00 0.00 0.01 0.00 0.00 54.97 54.71 2rml s GLU 100 Cb 0.00 -1.55 0.00 0.00 -4.31 0.00 0.00 34.13 28.27 2rml s GLU 100 CO 0.00 -0.22 0.00 0.41 0.01 0.00 0.00 175.26 175.46 2rml n GLY 101 N 4.77 2.97 3.76 -1.39 0.00 -0.76 -4.75 105.19 109.79 2rml n GLY 101 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.77 2.53 -0.07 1.61 -7.23 -1.26 -2.08 120.40 112.14 2rml s VAL 102 Ca 0.00 0.49 0.02 0.00 -1.81 0.00 0.00 61.98 60.68 2rml s VAL 102 Cb 0.00 -3.31 -0.05 0.00 0.56 0.00 0.00 36.38 33.57 2rml s VAL 102 CO 0.00 0.10 -0.04 0.00 -0.31 0.00 0.00 175.10 174.86 2rml n ALA 103 N 1.40 1.85 -2.93 1.32 0.00 -0.44 -4.68 120.51 117.03 2rml n ALA 103 Ca 0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.04 2rml n ALA 103 Cb 0.40 0.27 -0.12 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.35 0.22 -0.46 0.00 0.01 -0.59 -4.48 114.94 105.30 2rml s ASN 104 Ca -0.07 -0.32 0.07 0.00 -0.71 0.00 0.00 52.86 51.83 2rml s ASN 104 Cb 0.02 0.05 0.30 0.00 0.41 0.00 0.00 41.25 42.03 2rml s ASN 104 CO 0.19 -0.18 0.98 0.00 -1.51 0.00 0.00 177.10 176.58 2rml n ALA 105 N 2.14 -0.51 -2.00 0.60 0.00 -1.26 -0.96 120.51 118.52 2rml n ALA 105 Ca -0.19 -1.75 -0.42 0.00 0.00 0.00 0.00 53.44 51.08 2rml n ALA 105 Cb 0.57 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 2rml n ALA 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rml s PRO 106 N 0.04 3.15 0.02 0.00 0.04 -1.10 -4.66 135.00 132.50 2rml s PRO 106 Ca 0.28 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2rml s PRO 106 Cb 0.27 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2rml s PRO 106 CO -0.12 -2.08 0.92 0.08 0.04 0.00 0.00 177.00 175.84 2rml s VAL 107 N 7.49 4.79 0.04 -0.36 1.01 -1.26 -2.67 120.40 129.43 2rml s VAL 107 Ca 0.77 1.94 -0.22 0.00 0.00 0.00 0.00 61.98 64.47 2rml s VAL 107 Cb -0.20 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 2rml s VAL 107 CO 0.30 0.23 0.66 0.21 0.00 0.00 0.00 175.10 176.51 2rml s ASN 108 N 0.62 7.10 -0.00 3.32 3.84 0.54 -4.99 114.94 125.37 2rml s ASN 108 Ca 0.47 1.31 0.16 0.00 0.21 0.00 0.00 52.86 55.02 2rml s ASN 108 Cb -0.21 -2.41 -0.18 0.00 -0.55 0.00 0.00 41.25 37.90 2rml s ASN 108 CO 0.27 0.11 0.69 2.22 -2.79 0.00 0.00 177.10 177.60 2rml n PHE 109 N 2.52 0.00 -0.06 0.43 1.16 -1.26 -3.58 117.46 116.67 2rml n PHE 109 Ca -0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.45 2rml n PHE 109 Cb 0.50 -0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.31 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2rml n ALA 110 N -1.40 1.75 0.32 1.98 0.00 -1.26 -3.96 120.51 117.94 2rml n ALA 110 Ca 0.03 -0.54 0.12 0.00 0.00 0.00 0.00 53.44 53.05 2rml n ALA 110 Cb 0.26 0.17 0.21 0.00 0.00 0.00 0.00 19.45 20.09 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 0.34 0.00 -0.00 -2.00 -3.48 115.31 110.17 2rml h LEU 111 Ca -0.26 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.46 2rml h LEU 111 Cb 1.46 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.07 2rml h LEU 111 CO -0.03 0.01 -0.13 -0.62 -0.00 0.00 0.00 178.44 177.67 2rml n GLU 112 N -2.82 -0.76 -3.36 1.13 1.02 -1.24 -4.96 120.64 109.65 2rml n GLU 112 Ca 0.04 0.68 -0.19 0.00 -0.02 0.00 0.00 57.16 57.67 2rml n GLU 112 Cb 0.50 -4.54 -0.00 0.00 -0.02 0.00 0.00 31.44 27.39 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 -2.13 3.92 -0.03 2.62 -4.23 -1.23 -0.39 115.64 114.16 2rml s THR 113 Ca 0.00 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 2rml s THR 113 Cb 0.00 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.49 2rml s THR 113 CO 0.00 -0.15 0.08 0.54 -0.54 0.00 0.00 174.62 174.55 2rml s VAL 114 N -2.23 -0.02 -0.19 2.29 0.11 -0.05 -0.33 120.40 119.98 2rml s VAL 114 Ca 0.47 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 59.46 2rml s VAL 114 Cb -0.10 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 2rml s VAL 114 CO 0.32 0.03 0.23 -0.89 -3.33 0.00 0.00 175.10 171.45 2rml s THR 115 N 0.38 5.34 -0.02 5.04 2.01 -1.09 -1.05 115.64 126.25 2rml s THR 115 Ca -0.03 0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.41 2rml s THR 115 Cb -0.04 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 2rml s THR 115 CO -0.01 0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 2rml s VAL 116 N 0.57 1.11 -0.06 3.82 1.01 0.28 -2.70 120.40 124.42 2rml s VAL 116 Ca 0.13 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 2rml s VAL 116 Cb -0.12 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.34 2rml s VAL 116 CO 0.02 0.32 -0.03 -0.70 0.00 0.00 0.00 175.10 174.71 2rml s GLU 117 N -0.14 0.81 0.17 2.72 2.12 -0.13 -0.97 118.70 123.27 2rml s GLU 117 Ca 0.02 -0.04 -0.24 0.00 0.36 0.00 0.00 54.97 55.07 2rml s GLU 117 Cb -0.07 -0.96 0.06 0.00 0.26 0.00 0.00 34.13 33.42 2rml s GLU 117 CO 0.00 -0.18 0.75 1.52 -0.54 0.00 0.00 175.26 176.81 2rml s TYR 118 N 1.40 -0.33 -0.27 5.30 1.13 -0.68 -1.33 117.35 122.58 2rml s TYR 118 Ca -0.03 0.04 -0.12 0.00 -1.41 0.00 0.00 57.07 55.55 2rml s TYR 118 Cb -0.13 0.62 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 2rml s TYR 118 CO -0.03 -0.91 0.22 0.54 -2.51 0.00 0.00 175.55 172.86 2rml s ASN 119 N -2.79 6.08 0.00 -0.18 2.20 -0.88 -1.04 114.94 118.33 2rml s ASN 119 Ca 0.07 0.07 0.28 0.00 -0.94 0.00 0.00 52.86 52.34 2rml s ASN 119 Cb -0.03 -2.14 1.68 0.00 -2.00 0.00 0.00 41.25 38.77 2rml s ASN 119 CO -0.03 -0.06 2.08 -0.81 -2.94 0.00 0.00 177.10 175.34 2rml n PRO 120 N 4.99 1.01 -0.34 3.55 -0.04 -1.26 -4.03 135.00 138.89 2rml n PRO 120 Ca -0.13 -0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.40 2rml n PRO 120 Cb 0.52 -1.44 0.28 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.04 0.88 0.00 0.54 1.79 -1.94 -3.26 116.57 114.61 2rml h LYS 121 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2rml h LYS 121 Cb 0.01 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 2rml h LYS 121 CO 0.00 0.58 0.00 0.39 -1.08 0.00 0.00 179.45 179.34 2rml n GLU 122 N -4.61 0.84 -5.08 3.15 -0.58 -1.26 -5.08 120.64 108.02 2rml n GLU 122 Ca 0.19 -0.19 -0.32 0.00 -0.42 0.00 0.00 57.16 56.41 2rml n GLU 122 Cb 0.40 -0.62 -0.16 0.00 -0.57 0.00 0.00 31.44 30.48 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 -0.17 2.33 0.20 0.62 0.00 -1.23 -5.02 121.76 118.48 2rml s ALA 123 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 2rml s ALA 123 Cb 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.23 2rml s ALA 123 CO 0.00 0.31 0.35 0.45 0.00 0.00 0.00 175.76 176.88 2rml n SER 124 N 3.36 -1.02 0.32 0.00 2.88 -1.26 -4.48 113.62 113.42 2rml n SER 124 Ca -0.18 -1.88 0.21 0.00 -1.33 0.00 0.00 58.87 55.69 2rml n SER 124 Cb 0.53 1.74 1.09 0.00 -0.75 0.00 0.00 64.21 66.82 2rml n SER 124 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2rml h VAL 125 N 1.52 0.01 0.09 2.46 2.07 -1.99 -0.70 116.25 119.69 2rml h VAL 125 Ca -0.16 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2rml h VAL 125 Cb 0.63 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2rml h VAL 125 CO 0.21 0.00 -0.04 0.28 0.02 0.00 0.00 177.57 178.04 2rml h SER 126 N 0.00 -0.10 -0.29 0.57 0.02 -1.99 -1.48 113.55 110.28 2rml h SER 126 Ca -0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2rml h SER 126 Cb 0.13 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2rml h SER 126 CO 0.00 0.09 0.11 0.44 -1.14 0.00 0.00 176.83 176.33 2rml h ASP 127 N -0.28 0.41 -0.45 3.07 3.32 -1.55 -1.09 116.42 119.85 2rml h ASP 127 Ca -0.01 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 2rml h ASP 127 Cb 0.24 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2rml h ASP 127 CO 0.02 0.47 0.15 -0.07 -1.72 0.00 0.00 179.24 178.09 2rml h LEU 128 N 0.32 0.64 0.22 1.55 3.38 -1.44 0.79 115.31 120.78 2rml h LEU 128 Ca 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2rml h LEU 128 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2rml h LEU 128 CO -0.01 0.67 -0.11 0.11 0.09 0.00 0.00 178.44 179.20 2rml h LYS 129 N 0.58 -0.29 0.00 1.13 1.57 -1.23 -2.49 116.57 115.84 2rml h LYS 129 Ca 0.14 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2rml h LYS 129 Cb 0.25 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2rml h LYS 129 CO -0.01 -0.04 -0.00 0.93 -0.57 0.00 0.00 179.45 179.76 2rml h GLU 130 N -0.50 0.00 0.00 3.15 5.08 -1.02 0.11 114.58 121.41 2rml h GLU 130 Ca -0.03 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 2rml h GLU 130 Cb 0.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2rml h GLU 130 CO 0.05 0.00 -0.85 0.00 -1.00 0.00 0.00 179.01 177.21 2rml h ALA 131 N 2.00 0.59 0.00 3.43 0.00 -0.77 -3.38 119.26 121.13 2rml h ALA 131 Ca -0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 54.91 54.00 2rml h ALA 131 Cb 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2rml h ALA 131 CO 0.00 1.04 -2.04 0.28 0.00 0.00 0.00 179.25 178.52 2rml n VAL 132 N -3.55 0.64 -0.06 0.00 0.31 -0.43 -4.54 118.33 110.69 2rml n VAL 132 Ca -0.01 -0.65 -0.08 0.00 -0.01 0.00 0.00 64.34 63.59 2rml n VAL 132 Cb 0.81 -0.25 -0.02 0.00 -0.91 0.00 0.00 33.84 33.47 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 -0.85 0.79 4.52 3.58 -0.92 -1.45 116.42 122.09 2rml h ASP 133 Ca -0.21 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2rml h ASP 133 Cb 1.50 0.40 0.00 0.00 1.72 0.00 0.00 39.33 42.95 2rml h ASP 133 CO 0.02 -0.29 0.00 1.17 -2.88 0.00 0.00 179.24 177.25 2rml n LYS 134 N -5.39 0.11 0.00 0.28 4.81 -1.26 -1.45 118.16 115.26 2rml n LYS 134 Ca -0.01 0.27 0.14 0.00 -0.87 0.00 0.00 58.31 57.85 2rml n LYS 134 Cb 0.31 -1.68 0.53 0.00 0.02 0.00 0.00 35.03 34.21 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 -1.88 0.62 0.00 3.14 7.99 -0.57 -4.96 117.00 121.34 2rml n LEU 135 Ca 0.04 -0.06 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2rml n LEU 135 Cb 0.25 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 2rml n LEU 135 CO 0.20 0.12 0.00 0.61 -1.51 0.00 0.00 177.39 176.81 2rml n GLY 136 N 1.31 0.87 0.00 -0.72 0.00 -0.53 -4.98 105.19 101.14 2rml n GLY 136 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.62 0.00 -3.88 1.61 4.01 -1.16 -4.84 117.16 112.28 2rml n TYR 137 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2rml n TYR 137 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rml s LYS 138 N -1.63 0.91 -0.36 -0.72 0.00 -0.64 -3.74 119.74 113.55 2rml s LYS 138 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 55.97 54.92 2rml s LYS 138 Cb 0.00 0.35 0.07 0.00 0.00 0.00 0.00 37.83 38.25 2rml s LYS 138 CO 0.00 -0.30 0.13 -0.51 0.00 0.00 0.00 175.35 174.67 2rml s LEU 139 N -2.88 4.60 0.43 2.77 1.43 -1.26 -1.41 118.68 122.35 2rml s LEU 139 Ca 0.07 -1.46 -0.22 0.00 -1.03 0.00 0.00 54.13 51.49 2rml s LEU 139 Cb 0.05 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 2rml s LEU 139 CO -0.09 -0.40 0.99 -0.54 0.23 0.00 0.00 176.35 176.54 2rml s LYS 140 N 1.30 4.15 0.31 1.70 1.02 -0.26 -4.92 119.74 123.05 2rml s LYS 140 Ca 0.01 1.28 -0.15 0.00 0.02 0.00 0.00 55.97 57.13 2rml s LYS 140 Cb -0.21 -2.30 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 2rml s LYS 140 CO -0.00 -0.12 0.71 -0.51 -0.92 0.00 0.00 175.35 174.52 2rml s LEU 141 N -3.03 4.09 -0.31 3.17 1.43 -1.26 -0.72 118.68 122.06 2rml s LEU 141 Ca 0.61 1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 54.80 2rml s LEU 141 Cb -0.14 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.05 2rml s LEU 141 CO 0.19 -0.18 0.41 -0.75 0.23 0.00 0.00 176.35 176.25 2rml s LYS 142 N -2.90 3.81 0.00 1.70 2.47 -0.95 -2.08 119.74 121.79 2rml s LYS 142 Ca 0.53 -0.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.83 2rml s LYS 142 Cb -0.11 -3.73 0.00 0.00 -1.46 0.00 0.00 37.83 32.54 2rml s LYS 142 CO 0.18 -0.43 0.00 0.41 0.16 0.00 0.00 175.35 175.67 2rml n GLY 143 N 4.76 0.88 0.08 5.54 0.00 0.93 -4.64 105.19 112.75 2rml n GLY 143 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 0.89 0.00 1.61 2.13 -1.26 -4.62 120.64 119.39 2rml n GLU 144 Ca 0.00 -0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.66 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 1.04 -0.41 0.00 0.00 177.13 177.76 2rml n GLN 145 N -0.92 0.00 0.00 5.31 6.02 -1.10 -4.87 117.38 121.82 2rml n GLN 145 Ca 0.19 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.27 2rml n GLN 145 Cb 0.20 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.51 2rml n GLN 145 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2rml n ASP 146 N -1.79 2.20 0.00 1.08 2.03 -0.88 -4.99 116.55 114.20 2rml n ASP 146 Ca 0.00 -1.60 0.00 0.00 0.52 0.00 0.00 54.79 53.71 2rml n ASP 146 Cb 0.00 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2rml n ASP 146 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08