#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 2.71 0.00 4.03 0.05 -1.26 -4.58 118.68 119.63 2rml s LEU 2 Ca 0.00 0.30 0.00 0.00 0.05 0.00 0.00 54.13 54.48 2rml s LEU 2 Cb 0.00 -2.45 0.00 0.00 -2.05 0.00 0.00 46.19 41.69 2rml s LEU 2 CO 0.00 -2.52 0.00 -1.20 -0.55 0.00 0.00 176.35 172.08 2rml n SER 3 N -3.61 0.00 -3.76 1.48 7.64 -1.26 -5.09 113.62 109.03 2rml n SER 3 Ca 0.14 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 2rml n SER 3 Cb 0.60 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 2rml n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2rml s GLU 4 N 0.00 0.82 0.45 1.43 -1.05 -1.26 -5.19 118.70 113.90 2rml s GLU 4 Ca 0.00 -0.53 0.08 0.00 -0.15 0.00 0.00 54.97 54.36 2rml s GLU 4 Cb 0.00 0.35 0.01 0.00 -0.44 0.00 0.00 34.13 34.05 2rml s GLU 4 CO 0.00 -0.26 0.49 -0.65 0.95 0.00 0.00 175.26 175.78 2rml s GLN 5 N -2.65 2.56 0.24 -4.83 -0.21 -1.26 -4.63 119.66 108.88 2rml s GLN 5 Ca -0.04 -1.51 -0.16 0.00 0.02 0.00 0.00 55.36 53.66 2rml s GLN 5 Cb -0.01 -2.49 0.01 0.00 1.00 0.00 0.00 33.01 31.52 2rml s GLN 5 CO -0.04 -0.34 0.55 0.21 -2.12 0.00 0.00 175.29 173.55 2rml s LYS 6 N -4.27 1.56 0.11 2.91 2.20 -0.54 -4.95 119.74 116.75 2rml s LYS 6 Ca 0.50 -1.08 0.10 0.00 -0.36 0.00 0.00 55.97 55.14 2rml s LYS 6 Cb -0.05 0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 36.75 2rml s LYS 6 CO 0.30 -0.67 -0.26 -1.83 -0.36 0.00 0.00 175.35 172.53 2rml s GLU 7 N -3.95 1.52 -0.01 4.03 1.03 -1.26 -1.60 118.70 118.46 2rml s GLU 7 Ca 0.16 -1.28 -0.02 0.00 0.03 0.00 0.00 54.97 53.86 2rml s GLU 7 Cb -0.02 -1.93 -0.00 0.00 -0.80 0.00 0.00 34.13 31.37 2rml s GLU 7 CO 0.05 0.47 0.04 0.42 -1.33 0.00 0.00 175.26 174.90 2rml s ILE 8 N -1.01 0.03 -0.27 1.83 1.09 -0.58 -3.89 121.20 118.40 2rml s ILE 8 Ca 0.14 -0.24 0.01 0.00 -1.10 0.00 0.00 60.65 59.45 2rml s ILE 8 Cb -0.10 -0.14 0.08 0.00 -1.06 0.00 0.00 42.46 41.24 2rml s ILE 8 CO 0.05 -0.13 0.00 0.00 -0.10 0.00 0.00 174.94 174.76 2rml s ALA 9 N -0.40 1.95 -0.12 9.38 0.00 -0.64 -0.13 121.76 131.81 2rml s ALA 9 Ca -0.04 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.33 2rml s ALA 9 Cb -0.03 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 2rml s ALA 9 CO -0.00 -1.38 -0.05 -1.64 0.00 0.00 0.00 175.76 172.69 2rml s MET 10 N 1.40 3.28 -0.14 0.00 -1.94 -0.29 -3.85 119.30 117.75 2rml s MET 10 Ca 0.01 -0.53 -0.29 0.00 -1.71 0.00 0.00 55.69 53.16 2rml s MET 10 Cb -0.18 -2.78 -0.01 0.00 2.01 0.00 0.00 34.83 33.87 2rml s MET 10 CO -0.11 0.43 1.08 -1.14 -0.01 0.00 0.00 175.02 175.27 2rml s GLN 11 N -0.15 4.34 -0.49 2.03 -0.44 -1.26 -0.52 119.66 123.16 2rml s GLN 11 Ca 0.02 1.46 0.04 0.00 -2.50 0.00 0.00 55.36 54.38 2rml s GLN 11 Cb -0.13 -3.60 0.13 0.00 -1.64 0.00 0.00 33.01 27.77 2rml s GLN 11 CO 0.03 -0.48 0.24 0.54 0.50 0.00 0.00 175.29 176.11 2rml s VAL 12 N 2.59 2.38 -0.14 1.34 0.11 0.32 -3.87 120.40 123.13 2rml s VAL 12 Ca 0.49 -3.13 -0.19 0.00 -2.93 0.00 0.00 61.98 56.22 2rml s VAL 12 Cb -0.19 -2.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.96 2rml s VAL 12 CO 0.14 -0.80 0.54 -0.94 -3.33 0.00 0.00 175.10 170.71 2rml s SER 13 N -0.10 6.69 0.00 3.54 1.04 -0.27 -4.33 113.70 120.27 2rml s SER 13 Ca 0.17 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.42 2rml s SER 13 Cb -0.25 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2rml s SER 13 CO -0.01 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2rml n GLY 14 N 3.49 1.14 0.81 7.32 0.00 -1.26 -0.98 105.19 115.72 2rml n GLY 14 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.28 0.00 1.61 2.81 -1.26 -4.55 117.12 117.00 2rml n MET 15 Ca 0.00 -0.29 0.04 0.00 -1.81 0.00 0.00 57.70 55.64 2rml n MET 15 Cb 0.00 -1.40 0.20 0.00 -0.71 0.00 0.00 33.22 31.31 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 0.17 0.95 0.94 2.03 -2.24 -1.26 -0.93 114.28 113.93 2rml n THR 16 Ca 0.04 0.24 0.11 0.00 -2.27 0.00 0.00 64.05 62.17 2rml n THR 16 Cb 0.44 -1.10 0.09 0.00 -2.10 0.00 0.00 70.33 67.65 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 1.16 0.00 0.26 0.00 0.00 -0.11 -4.47 120.51 117.35 2rml n ALA 18 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.60 2rml n ALA 18 Cb 0.55 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.16 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 1.36 -0.33 0.00 0.00 -1.26 -1.34 120.51 118.93 2rml n ALA 19 Ca 0.00 -0.03 0.17 0.00 0.00 0.00 0.00 53.44 53.58 2rml n ALA 19 Cb 0.00 -1.11 0.40 0.00 0.00 0.00 0.00 19.45 18.74 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 1.65 -0.80 -0.63 0.00 0.00 -1.54 -1.46 119.26 116.49 2rml h ALA 21 Ca 0.59 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.48 2rml h ALA 21 Cb 1.15 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 2rml h ALA 21 CO -0.36 -0.97 0.09 0.00 0.00 0.00 0.00 179.25 178.01 2rml h ALA 22 N -0.35 0.71 -0.86 0.00 0.00 -1.60 -1.27 119.26 115.89 2rml h ALA 22 Ca -0.05 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2rml h ALA 22 Cb 0.66 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2rml h ALA 22 CO 0.01 -0.34 0.56 0.00 0.00 0.00 0.00 179.25 179.48 2rml h ARG 23 N 0.21 0.95 0.24 0.00 2.47 -0.88 -2.27 114.38 115.10 2rml h ARG 23 Ca 0.33 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2rml h ARG 23 Cb 0.53 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2rml h ARG 23 CO -0.46 0.63 -0.12 0.82 0.56 0.00 0.00 179.97 181.40 2rml h ILE 24 N 0.98 0.69 -0.28 2.04 2.04 -0.15 -1.78 117.51 121.05 2rml h ILE 24 Ca 0.37 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2rml h ILE 24 Cb 0.19 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2rml h ILE 24 CO -0.13 0.16 0.10 -0.33 0.00 0.00 0.00 178.15 177.95 2rml h GLU 25 N -0.87 0.43 0.00 2.37 5.08 -1.41 0.34 114.58 120.51 2rml h GLU 25 Ca -0.03 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 2rml h GLU 25 Cb 0.51 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2rml h GLU 25 CO 0.05 0.47 -0.42 1.57 -1.00 0.00 0.00 179.01 179.67 2rml h LYS 26 N 0.30 0.00 -0.21 2.33 2.10 -1.55 -1.54 116.57 118.00 2rml h LYS 26 Ca 0.09 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.60 2rml h LYS 26 Cb 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2rml h LYS 26 CO -0.01 0.42 -0.44 0.78 -2.00 0.00 0.00 179.45 178.21 2rml h GLY 27 N 1.76 0.73 1.52 0.07 0.00 -0.96 -3.26 103.07 102.93 2rml h GLY 27 Ca -0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 47.33 46.31 2rml h GLY 27 CO 0.06 0.78 -0.48 1.41 0.00 0.00 0.00 176.54 178.31 2rml h LEU 28 N 0.36 0.56 0.00 3.11 3.38 -0.87 -3.04 115.31 118.80 2rml h LEU 28 Ca 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rml h LEU 28 Cb 1.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2rml h LEU 28 CO 0.10 0.95 0.05 1.17 0.09 0.00 0.00 178.44 180.79 2rml n LYS 29 N -3.99 0.00 0.13 1.13 4.81 -0.59 -1.63 118.16 118.02 2rml n LYS 29 Ca -0.02 0.44 -0.01 0.00 -0.87 0.00 0.00 58.31 57.84 2rml n LYS 29 Cb 0.56 -1.55 0.21 0.00 0.02 0.00 0.00 35.03 34.27 2rml n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rml h ARG 30 N 0.00 0.09 -4.52 1.64 2.47 -1.62 -3.44 114.38 109.00 2rml h ARG 30 Ca 0.00 -0.05 -0.71 0.00 -1.26 0.00 0.00 59.98 57.95 2rml h ARG 30 Cb 0.09 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 28.17 2rml h ARG 30 CO 0.00 0.59 -0.48 0.00 0.56 0.00 0.00 179.97 180.65 2rml s MET 31 N -3.86 2.79 0.18 0.04 0.23 -0.65 -4.99 119.30 113.04 2rml s MET 31 Ca -0.03 -1.20 0.19 0.00 -1.03 0.00 0.00 55.69 53.62 2rml s MET 31 Cb 0.13 -3.80 0.84 0.00 -1.53 0.00 0.00 34.83 30.47 2rml s MET 31 CO 0.76 -0.80 1.58 -0.35 -2.03 0.00 0.00 175.02 174.18 2rml n PRO 32 N 5.01 0.12 0.01 3.16 -0.04 -1.26 -0.81 135.00 141.19 2rml n PRO 32 Ca -0.11 0.41 0.09 0.00 -0.04 0.00 0.00 63.50 63.85 2rml n PRO 32 Cb 0.45 -1.76 0.38 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.30 -1.11 3.70 0.55 0.00 -1.26 -4.52 105.19 102.24 2rml n GLY 33 Ca 0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.01 4.64 -0.04 1.61 1.01 0.01 -0.53 120.40 124.09 2rml s VAL 34 Ca 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2rml s VAL 34 Cb 0.11 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 2rml s VAL 34 CO 0.32 0.57 0.01 1.07 0.00 0.00 0.00 175.10 177.07 2rml n THR 35 N 2.53 0.27 -5.09 3.92 5.66 -0.62 -4.80 114.28 116.16 2rml n THR 35 Ca -0.18 -0.17 -0.29 0.00 -3.05 0.00 0.00 64.05 60.36 2rml n THR 35 Cb 0.53 -0.89 -0.16 0.00 -1.55 0.00 0.00 70.33 68.27 2rml n THR 35 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2rml s ASP 36 N -3.52 2.66 -0.03 1.09 1.01 -0.69 -5.00 116.67 112.19 2rml s ASP 36 Ca -0.02 -0.43 0.03 0.00 0.71 0.00 0.00 52.55 52.84 2rml s ASP 36 Cb 0.01 -0.61 -0.00 0.00 1.01 0.00 0.00 42.92 43.33 2rml s ASP 36 CO 0.16 0.23 -0.12 0.00 0.21 0.00 0.00 175.17 175.65 2rml s ALA 37 N -0.21 1.10 -0.30 5.23 0.00 -1.26 -1.00 121.76 125.32 2rml s ALA 37 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 2rml s ALA 37 Cb -0.12 -0.36 0.14 0.00 0.00 0.00 0.00 23.12 22.78 2rml s ALA 37 CO 0.02 0.21 0.30 -0.80 0.00 0.00 0.00 175.76 175.49 2rml s ASN 38 N 0.04 1.68 -0.29 0.00 0.01 0.24 -4.94 114.94 111.67 2rml s ASN 38 Ca -0.01 -0.90 -0.12 0.00 -0.71 0.00 0.00 52.86 51.11 2rml s ASN 38 Cb -0.09 0.48 -0.04 0.00 0.41 0.00 0.00 41.25 42.01 2rml s ASN 38 CO 0.01 -0.37 0.24 0.54 -1.51 0.00 0.00 177.10 176.00 2rml s VAL 39 N 2.22 5.27 -0.78 1.60 0.11 -1.26 -0.94 120.40 126.61 2rml s VAL 39 Ca 0.10 0.15 -0.24 0.00 -2.93 0.00 0.00 61.98 59.06 2rml s VAL 39 Cb -0.14 -3.61 0.06 0.00 -1.53 0.00 0.00 36.38 31.15 2rml s VAL 39 CO -0.29 0.16 1.19 0.21 -3.33 0.00 0.00 175.10 173.05 2rml s ASN 40 N 1.73 6.27 0.26 3.54 3.84 0.35 -4.91 114.94 126.03 2rml s ASN 40 Ca 0.08 -0.96 -0.04 0.00 0.21 0.00 0.00 52.86 52.16 2rml s ASN 40 Cb -0.16 -2.50 0.32 0.00 -0.55 0.00 0.00 41.25 38.36 2rml s ASN 40 CO 0.11 -1.58 1.85 0.25 -2.79 0.00 0.00 177.10 174.95 2rml h LEU 41 N 12.19 0.97 -1.62 3.21 5.85 -1.95 -0.82 115.31 133.14 2rml h LEU 41 Ca -0.15 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 2rml h LEU 41 Cb 1.05 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2rml h LEU 41 CO 1.26 0.82 -0.08 0.00 -0.34 0.00 0.00 178.44 180.10 2rml h ALA 42 N 1.32 1.69 -0.20 1.25 0.00 -1.95 -1.50 119.26 119.86 2rml h ALA 42 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2rml h ALA 42 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2rml h ALA 42 CO -0.03 0.23 0.00 -2.37 0.00 0.00 0.00 179.25 177.08 2rml n THR 43 N -4.36 1.01 -3.14 0.00 5.66 -1.24 -5.04 114.28 107.17 2rml n THR 43 Ca -0.01 -1.01 -0.15 0.00 -3.05 0.00 0.00 64.05 59.83 2rml n THR 43 Cb 0.20 0.49 0.05 0.00 -1.55 0.00 0.00 70.33 69.52 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 0.08 -4.80 -4.82 1.09 2.13 -0.57 -4.92 120.64 108.83 2rml n GLU 44 Ca 0.07 0.52 -0.27 0.00 0.66 0.00 0.00 57.16 58.14 2rml n GLU 44 Cb 0.36 -4.61 -0.17 0.00 0.27 0.00 0.00 31.44 27.29 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 -3.18 1.46 -0.30 6.31 2.01 -0.42 -0.52 115.64 121.01 2rml s THR 45 Ca 0.35 -0.68 -0.12 0.00 0.31 0.00 0.00 61.69 61.55 2rml s THR 45 Cb -0.15 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2rml s THR 45 CO 0.43 0.43 0.22 -0.55 -0.69 0.00 0.00 174.62 174.46 2rml s SER 46 N 0.47 6.05 -0.30 3.53 0.15 0.32 -0.50 113.70 123.43 2rml s SER 46 Ca -0.14 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.28 2rml s SER 46 Cb -0.16 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2rml s SER 46 CO 0.05 -0.11 0.22 0.20 1.20 0.00 0.00 173.24 174.79 2rml s ASN 47 N 1.74 6.04 0.13 5.45 0.01 -0.12 -1.14 114.94 127.06 2rml s ASN 47 Ca 0.07 -0.13 0.07 0.00 -0.71 0.00 0.00 52.86 52.17 2rml s ASN 47 Cb -0.16 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 2rml s ASN 47 CO 0.11 -0.12 -0.17 0.68 -1.51 0.00 0.00 177.10 176.09 2rml s VAL 48 N 1.77 1.59 -0.05 1.60 -7.23 0.81 -0.60 120.40 118.29 2rml s VAL 48 Ca 0.07 -1.72 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2rml s VAL 48 Cb -0.16 -1.62 0.02 0.00 0.56 0.00 0.00 36.38 35.18 2rml s VAL 48 CO 0.11 -0.28 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.92 2rml s ILE 49 N -1.82 0.68 0.05 -0.62 1.09 -0.17 -1.53 121.20 118.88 2rml s ILE 49 Ca 0.10 -0.20 -0.02 0.00 -1.10 0.00 0.00 60.65 59.43 2rml s ILE 49 Cb -0.07 -0.68 -0.03 0.00 -1.06 0.00 0.00 42.46 40.63 2rml s ILE 49 CO 0.05 0.26 0.00 -0.72 -0.10 0.00 0.00 174.94 174.42 2rml s TYR 50 N 0.89 0.42 -0.15 3.97 1.13 -0.63 -1.59 117.35 121.40 2rml s TYR 50 Ca -0.11 -0.90 -0.10 0.00 -1.41 0.00 0.00 57.07 54.55 2rml s TYR 50 Cb -0.15 -0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 40.36 2rml s TYR 50 CO 0.01 -0.37 0.17 0.34 -2.51 0.00 0.00 175.55 173.20 2rml s ASP 51 N -2.63 6.35 0.17 -0.18 -1.08 0.31 -1.47 116.67 118.14 2rml s ASP 51 Ca 0.02 0.41 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 2rml s ASP 51 Cb 0.04 -2.11 0.91 0.00 -1.46 0.00 0.00 42.92 40.31 2rml s ASP 51 CO -0.08 0.27 1.78 -0.81 0.52 0.00 0.00 175.17 176.85 2rml n PRO 52 N 2.83 0.19 -0.10 4.34 -0.04 -1.26 -4.29 135.00 136.67 2rml n PRO 52 Ca -0.17 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2rml n PRO 52 Cb 0.53 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.72 1.54 1.18 0.55 0.00 -1.26 -4.23 120.51 116.57 2rml n ALA 53 Ca 0.05 -1.15 0.12 0.00 0.00 0.00 0.00 53.44 52.47 2rml n ALA 53 Cb 0.37 -0.11 0.35 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.80 1.94 0.00 0.00 -0.58 -1.26 -4.91 120.64 113.02 2rml n GLU 54 Ca -0.33 -1.38 0.00 0.00 -0.42 0.00 0.00 57.16 55.04 2rml n GLU 54 Cb 1.05 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 2rml n GLU 54 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2rml n THR 55 N 0.64 0.00 0.00 2.62 -1.04 -1.26 -4.62 114.28 110.62 2rml n THR 55 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2rml n THR 55 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.00 3.84 0.15 3.41 0.00 -1.26 -5.01 105.19 106.32 2rml n GLY 56 Ca 0.00 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 2rml n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rml h THR 57 N 1.00 1.35 -0.08 2.61 1.03 -1.92 -3.29 112.91 113.62 2rml h THR 57 Ca 0.00 -1.43 0.01 0.00 -0.01 0.00 0.00 66.41 64.98 2rml h THR 57 Cb 0.00 1.91 -0.00 0.00 -1.07 0.00 0.00 68.15 68.98 2rml h THR 57 CO 0.00 0.43 0.05 0.00 -0.01 0.00 0.00 175.52 175.99 2rml h ALA 58 N 0.59 2.02 0.00 0.00 0.00 -1.97 -1.18 119.26 118.71 2rml h ALA 58 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 58 Cb 0.78 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2rml h ALA 58 CO 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.22 2rml h ALA 59 N 1.96 1.89 -0.01 0.00 0.00 -1.97 -1.56 119.26 119.56 2rml h ALA 59 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rml h ALA 59 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2rml h ALA 59 CO -0.00 0.06 -0.00 0.82 0.00 0.00 0.00 179.25 180.13 2rml h ILE 60 N 0.00 1.31 -0.33 0.00 2.04 -1.38 -1.13 117.51 118.01 2rml h ILE 60 Ca -0.00 -0.94 -0.13 0.00 1.00 0.00 0.00 64.86 64.79 2rml h ILE 60 Cb 0.09 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2rml h ILE 60 CO 0.01 0.25 -0.33 0.06 0.00 0.00 0.00 178.15 178.14 2rml h GLN 61 N -0.36 0.73 -0.74 2.37 3.07 -1.62 -1.92 115.11 116.65 2rml h GLN 61 Ca 0.00 -0.34 0.05 0.00 0.09 0.00 0.00 58.65 58.45 2rml h GLN 61 Cb 0.40 -0.01 -0.05 0.00 0.08 0.00 0.00 27.48 27.90 2rml h GLN 61 CO 0.00 0.96 0.45 0.93 0.09 0.00 0.00 178.83 181.26 2rml h GLU 62 N 0.62 0.81 -0.02 0.06 5.08 -1.26 -0.50 114.58 119.37 2rml h GLU 62 Ca 0.07 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2rml h GLU 62 Cb 0.85 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2rml h GLU 62 CO 0.07 0.54 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.90 2rml h LYS 63 N 0.84 0.06 0.20 2.33 1.63 -0.99 -2.35 116.57 118.28 2rml h LYS 63 Ca 0.32 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 2rml h LYS 63 Cb 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2rml h LYS 63 CO -0.15 0.54 -0.10 0.82 -3.45 0.00 0.00 179.45 177.11 2rml h ILE 64 N 0.04 0.85 0.00 2.00 2.04 -0.95 -3.29 117.51 118.20 2rml h ILE 64 Ca -0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2rml h ILE 64 Cb 0.90 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2rml h ILE 64 CO 0.07 0.19 0.00 -0.33 0.00 0.00 0.00 178.15 178.08 2rml h GLU 65 N -0.78 0.00 0.00 2.37 4.39 -1.11 -1.42 114.58 118.03 2rml h GLU 65 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2rml h GLU 65 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2rml h GLU 65 CO 0.04 0.00 0.07 -0.22 -1.16 0.00 0.00 179.01 177.74 2rml h LYS 66 N 0.00 0.00 0.00 2.33 3.11 -1.49 -1.72 116.57 118.80 2rml h LYS 66 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2rml h LYS 66 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 2rml h LYS 66 CO 0.00 0.00 -0.31 1.28 -2.81 0.00 0.00 179.45 177.61 2rml n LEU 67 N -3.03 0.58 0.00 5.20 7.99 -0.54 -4.97 117.00 122.23 2rml n LEU 67 Ca -0.03 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 2rml n LEU 67 Cb 0.13 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 2rml n LEU 67 CO 0.18 -0.05 0.00 0.61 -1.51 0.00 0.00 177.39 176.62 2rml n GLY 68 N 1.38 0.80 0.00 -0.72 0.00 -0.65 -5.11 105.19 100.90 2rml n GLY 68 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.45 -1.65 -3.76 1.61 4.01 -1.26 -5.02 117.16 108.63 2rml n TYR 69 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 2rml n TYR 69 Cb 0.04 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.91 2rml n TYR 69 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2rml s HIS 70 N -0.44 -0.00 -0.51 -0.72 3.76 -0.15 -4.92 115.29 112.32 2rml s HIS 70 Ca 0.00 0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 2rml s HIS 70 Cb 0.00 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.46 2rml s HIS 70 CO 0.00 -0.11 0.57 1.55 -0.85 0.00 0.00 174.74 175.90 2rml n VAL 71 N 4.29 0.38 -3.65 -0.90 3.14 -1.26 -1.11 118.33 119.21 2rml n VAL 71 Ca -0.26 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.83 2rml n VAL 71 Cb 0.50 -0.63 -0.06 0.00 -1.06 0.00 0.00 33.84 32.60 2rml n VAL 71 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2rml n VAL 72 N 0.36 -0.06 -3.97 1.55 0.24 -1.25 -4.63 118.33 110.57 2rml n VAL 72 Ca 0.00 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.34 61.97 2rml n VAL 72 Cb 0.29 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.23 2rml n VAL 72 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2rml s THR 73 N -2.69 5.06 0.04 3.34 -1.32 -1.26 -4.15 115.64 114.65 2rml s THR 73 Ca 0.54 -0.55 -0.08 0.00 -1.21 0.00 0.00 61.69 60.39 2rml s THR 73 Cb -0.32 -3.46 -0.00 0.00 -1.51 0.00 0.00 72.50 67.21 2rml s THR 73 CO 0.72 0.12 0.16 -0.70 -2.21 0.00 0.00 174.62 172.72 2rml s GLU 74 N -2.50 0.66 -0.06 7.08 2.12 -0.48 -4.93 118.70 120.58 2rml s GLU 74 Ca 0.33 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.91 2rml s GLU 74 Cb -0.13 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 2rml s GLU 74 CO 0.26 -0.18 0.21 -1.59 -0.54 0.00 0.00 175.26 173.41 2rml s LYS 75 N -2.60 3.53 0.05 4.30 -2.85 -1.26 -1.59 119.74 119.32 2rml s LYS 75 Ca -0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 55.97 54.84 2rml s LYS 75 Cb -0.01 -3.16 -0.04 0.00 -2.06 0.00 0.00 37.83 32.56 2rml s LYS 75 CO -0.04 0.73 -0.03 0.00 0.10 0.00 0.00 175.35 176.11 2rml s ALA 76 N -1.13 0.43 -0.13 0.59 0.00 0.27 -4.99 121.76 116.80 2rml s ALA 76 Ca 0.20 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2rml s ALA 76 Cb -0.13 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2rml s ALA 76 CO 0.10 -0.34 -0.14 -1.21 0.00 0.00 0.00 175.76 174.17 2rml s GLU 77 N -3.49 3.37 0.25 0.00 2.02 -1.26 -0.49 118.70 119.10 2rml s GLU 77 Ca 0.03 -0.70 0.10 0.00 0.02 0.00 0.00 54.97 54.42 2rml s GLU 77 Cb 0.05 -2.61 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 2rml s GLU 77 CO -0.08 0.21 -0.16 -0.06 0.02 0.00 0.00 175.26 175.18 2rml s PHE 78 N 0.35 2.00 -0.20 1.61 0.40 -0.56 -3.57 117.98 118.02 2rml s PHE 78 Ca -0.11 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 55.73 2rml s PHE 78 Cb -0.16 -0.92 -0.00 0.00 0.51 0.00 0.00 43.02 42.45 2rml s PHE 78 CO 0.06 0.52 -0.09 0.34 0.70 0.00 0.00 175.22 176.75 2rml s ASP 79 N -3.42 3.99 -1.15 1.36 -1.08 0.28 -0.49 116.67 116.16 2rml s ASP 79 Ca 0.26 -0.44 -0.06 0.00 -0.52 0.00 0.00 52.55 51.80 2rml s ASP 79 Cb -0.02 -1.66 0.06 0.00 -1.46 0.00 0.00 42.92 39.83 2rml s ASP 79 CO 0.11 0.02 2.61 -0.38 0.52 0.00 0.00 175.17 178.04 2rml n ILE 80 N 4.54 4.66 -1.86 4.11 2.08 0.92 -1.37 119.36 132.44 2rml n ILE 80 Ca -0.19 -3.68 -0.43 0.00 0.56 0.00 0.00 62.75 59.01 2rml n ILE 80 Cb 0.51 -2.07 -0.03 0.00 -0.75 0.00 0.00 39.64 37.30 2rml n ILE 80 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2rml s GLU 81 N -0.63 3.37 0.00 0.38 -6.30 -1.15 -1.86 118.70 112.51 2rml s GLU 81 Ca 0.58 1.73 0.00 0.00 -2.50 0.00 0.00 54.97 54.79 2rml s GLU 81 Cb 0.23 -4.24 0.00 0.00 0.00 0.00 0.00 34.13 30.12 2rml s GLU 81 CO -0.11 -1.82 0.00 0.41 0.02 0.00 0.00 175.26 173.76 2rml n GLY 82 N 5.40 1.15 3.71 -1.50 0.00 -1.26 -3.87 105.19 108.82 2rml n GLY 82 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.78 -4.97 119.30 119.91 2rml s MET 83 Ca 0.00 1.22 0.02 0.00 -1.03 0.00 0.00 55.69 55.90 2rml s MET 83 Cb 0.00 -3.45 -0.00 0.00 -1.53 0.00 0.00 34.83 29.84 2rml s MET 83 CO 0.00 0.01 0.26 0.25 -2.03 0.00 0.00 175.02 173.51 2rml n THR 84 N 3.80 0.00 -3.76 3.16 -2.24 -1.26 -4.94 114.28 109.03 2rml n THR 84 Ca 0.03 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 2rml n THR 84 Cb 0.51 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 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 3.37 2.60 -0.28 0.00 0.00 -1.95 0.38 119.26 123.38 2rml h ALA 86 Ca -0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2rml h ALA 86 Cb 1.19 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2rml h ALA 86 CO 0.45 -0.79 -0.10 0.00 0.00 0.00 0.00 179.25 178.81 2rml h ALA 87 N 1.68 1.30 -0.27 0.00 0.00 -1.98 -1.18 119.26 118.80 2rml h ALA 87 Ca 0.31 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2rml h ALA 87 Cb 1.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2rml h ALA 87 CO -0.01 0.47 -0.50 0.00 0.00 0.00 0.00 179.25 179.21 2rml h ALA 89 N 0.85 -0.83 -0.85 0.00 0.00 -1.40 -3.14 119.26 113.89 2rml h ALA 89 Ca 0.03 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 89 Cb 1.07 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2rml h ALA 89 CO 0.11 -0.98 0.48 -0.91 0.00 0.00 0.00 179.25 177.94 2rml h ASN 90 N -0.83 0.65 -0.81 0.00 2.35 -1.14 0.20 115.58 116.01 2rml h ASN 90 Ca -0.07 0.06 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2rml h ASN 90 Cb 0.67 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 2rml h ASN 90 CO 0.08 0.34 0.53 0.03 -1.65 0.00 0.00 177.43 176.75 2rml h ARG 91 N 0.75 0.63 0.12 0.81 3.08 -0.95 -1.28 114.38 117.54 2rml h ARG 91 Ca 0.43 -0.04 -0.30 0.00 0.07 0.00 0.00 59.98 60.15 2rml h ARG 91 Cb 0.48 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2rml h ARG 91 CO -0.29 0.42 -1.53 -0.84 -1.07 0.00 0.00 179.97 176.65 2rml h ILE 92 N 0.65 0.94 -1.00 2.04 3.07 -1.37 -3.40 117.51 118.44 2rml h ILE 92 Ca 0.39 -2.38 0.15 0.00 1.55 0.00 0.00 64.86 64.57 2rml h ILE 92 Cb 0.60 2.65 -0.09 0.00 -0.27 0.00 0.00 36.82 39.70 2rml h ILE 92 CO -0.15 0.72 0.62 -0.08 -1.05 0.00 0.00 178.15 178.21 2rml h GLU 93 N -0.25 0.86 -0.08 0.16 4.81 -0.49 0.25 114.58 119.84 2rml h GLU 93 Ca -0.33 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2rml h GLU 93 Cb 1.81 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.99 2rml h GLU 93 CO 0.06 0.57 0.09 -0.22 -0.73 0.00 0.00 179.01 178.78 2rml h LYS 94 N 0.88 0.00 0.00 1.92 3.11 -1.47 -0.63 116.57 120.39 2rml h LYS 94 Ca 0.54 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 58.07 2rml h LYS 94 Cb 0.69 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.86 2rml h LYS 94 CO -0.32 0.00 -2.17 -2.13 -2.81 0.00 0.00 179.45 172.03 2rml n ARG 95 N -3.79 0.55 -0.06 1.90 0.63 -0.42 -4.67 116.66 110.81 2rml n ARG 95 Ca -0.01 0.11 0.02 0.00 -0.92 0.00 0.00 57.85 57.06 2rml n ARG 95 Cb 0.19 -1.41 0.35 0.00 0.45 0.00 0.00 32.46 32.04 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 0.00 0.58 -0.30 6.15 -0.00 -0.80 -3.33 115.31 117.61 2rml h LEU 96 Ca -0.46 -0.03 0.03 0.00 -0.00 0.00 0.00 57.88 57.42 2rml h LEU 96 Cb 1.72 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 42.20 2rml h LEU 96 CO -0.07 0.46 -0.18 -3.20 -0.00 0.00 0.00 178.44 175.45 2rml n ASN 97 N -4.43 -0.32 -3.17 -0.43 2.85 -0.26 -3.05 115.26 106.44 2rml n ASN 97 Ca 0.04 0.58 -0.23 0.00 -0.11 0.00 0.00 54.58 54.86 2rml n ASN 97 Cb 0.08 -0.09 -0.06 0.00 1.24 0.00 0.00 39.78 40.95 2rml n ASN 97 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2rml n LYS 98 N -4.19 0.70 -1.99 1.20 4.01 -1.25 -3.16 118.16 113.48 2rml n LYS 98 Ca 0.01 -3.14 -0.26 0.00 -0.51 0.00 0.00 58.31 54.40 2rml n LYS 98 Cb 0.08 -1.24 -0.07 0.00 -0.51 0.00 0.00 35.03 33.29 2rml n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2rml s ILE 99 N -1.05 3.45 -0.87 -0.18 1.01 -1.17 -4.59 121.20 117.80 2rml s ILE 99 Ca 0.35 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.28 2rml s ILE 99 Cb 0.17 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2rml s ILE 99 CO -0.12 -0.84 0.00 1.21 0.00 0.00 0.00 174.94 175.19 2rml n GLU 100 N 8.35 -0.92 0.00 2.79 2.13 -1.25 -0.76 120.64 130.98 2rml n GLU 100 Ca 0.44 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.98 2rml n GLU 100 Cb 0.47 -4.68 0.00 0.00 0.27 0.00 0.00 31.44 27.50 2rml n GLU 100 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rml n GLY 101 N -1.28 0.66 3.74 8.31 0.00 -1.25 -1.62 105.19 113.74 2rml n GLY 101 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2rml n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 102 N 0.00 2.33 -0.24 1.61 1.01 0.06 -4.00 120.40 121.17 2rml s VAL 102 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 2rml s VAL 102 Cb 0.00 -3.17 -0.17 0.00 0.00 0.00 0.00 36.38 33.05 2rml s VAL 102 CO 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 175.10 175.05 2rml n ALA 103 N 2.89 1.08 -2.50 5.51 0.00 0.12 -4.14 120.51 123.48 2rml n ALA 103 Ca 0.10 -0.87 -0.08 0.00 0.00 0.00 0.00 53.44 52.59 2rml n ALA 103 Cb 0.38 -0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.52 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 -7.10 0.43 -0.45 0.00 0.01 -0.66 -4.72 114.94 102.45 2rml s ASN 104 Ca -0.33 -0.77 0.07 0.00 -0.71 0.00 0.00 52.86 51.11 2rml s ASN 104 Cb 0.10 0.15 0.31 0.00 0.41 0.00 0.00 41.25 42.22 2rml s ASN 104 CO 0.57 -0.45 1.04 0.00 -1.51 0.00 0.00 177.10 176.75 2rml n ALA 105 N 0.78 -0.50 -2.42 0.60 0.00 -1.19 -0.52 120.51 117.27 2rml n ALA 105 Ca -0.18 -1.70 -0.43 0.00 0.00 0.00 0.00 53.44 51.13 2rml n ALA 105 Cb 0.58 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.00 4.24 0.17 0.00 0.04 -1.13 -4.47 135.00 133.84 2rml s PRO 106 Ca 0.25 1.67 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 2rml s PRO 106 Cb 0.29 -3.75 -0.07 0.00 0.04 0.00 0.00 34.50 31.00 2rml s PRO 106 CO -0.08 -0.69 0.55 0.08 0.04 0.00 0.00 177.00 176.90 2rml s VAL 107 N 3.41 4.89 0.00 -0.36 1.01 -1.26 -2.69 120.40 125.40 2rml s VAL 107 Ca 0.55 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2rml s VAL 107 Cb -0.22 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2rml s VAL 107 CO 0.15 0.14 0.00 -3.20 0.00 0.00 0.00 175.10 172.19 2rml n ASN 108 N 0.50 0.00 0.00 3.32 2.85 0.35 -4.97 115.26 117.30 2rml n ASN 108 Ca -0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 2rml n ASN 108 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2rml n ASN 108 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2rml n PHE 109 N 0.00 -0.53 0.19 1.20 7.35 -1.26 -4.80 117.46 119.61 2rml n PHE 109 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 2rml n PHE 109 Cb 0.00 0.11 0.36 0.00 0.35 0.00 0.00 39.48 40.29 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2rml h ALA 110 N 0.89 1.09 0.00 3.13 0.00 -1.96 -0.64 119.26 121.77 2rml h ALA 110 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2rml h ALA 110 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2rml h ALA 110 CO 0.00 0.48 -0.02 -0.07 0.00 0.00 0.00 179.25 179.64 2rml h LEU 111 N 0.00 0.00 0.33 0.00 -0.00 -2.00 -3.48 115.31 110.16 2rml h LEU 111 Ca -0.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.88 57.73 2rml h LEU 111 Cb 0.82 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.43 2rml h LEU 111 CO 0.05 0.00 -0.13 -0.62 -0.00 0.00 0.00 178.44 177.75 2rml n GLU 112 N -2.38 -0.69 -3.33 1.13 1.02 -0.25 -4.99 120.64 111.15 2rml n GLU 112 Ca 0.05 0.67 -0.20 0.00 -0.02 0.00 0.00 57.16 57.67 2rml n GLU 112 Cb 0.45 -4.50 -0.00 0.00 -0.02 0.00 0.00 31.44 27.36 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 -2.15 2.63 0.01 2.62 -4.23 -1.26 -0.06 115.64 113.20 2rml s THR 113 Ca 0.00 -1.19 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 2rml s THR 113 Cb 0.00 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.01 2rml s THR 113 CO 0.00 0.00 0.02 0.54 -0.54 0.00 0.00 174.62 174.64 2rml s VAL 114 N -2.48 0.08 -0.22 2.29 0.11 0.35 -0.50 120.40 120.03 2rml s VAL 114 Ca 0.51 -0.66 -0.08 0.00 -2.93 0.00 0.00 61.98 58.82 2rml s VAL 114 Cb -0.06 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 2rml s VAL 114 CO 0.30 -0.36 0.09 -0.89 -3.33 0.00 0.00 175.10 170.91 2rml s THR 115 N -1.11 4.75 -0.02 5.04 2.01 -1.09 -1.50 115.64 123.71 2rml s THR 115 Ca -0.12 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 61.90 2rml s THR 115 Cb -0.07 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 2rml s THR 115 CO -0.00 0.39 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.43 2rml s VAL 116 N 0.99 2.64 -0.11 3.82 1.01 0.36 -2.84 120.40 126.28 2rml s VAL 116 Ca 0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 2rml s VAL 116 Cb -0.14 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2rml s VAL 116 CO 0.03 0.54 -0.01 -0.70 0.00 0.00 0.00 175.10 174.96 2rml s GLU 117 N -0.82 0.82 0.07 2.72 2.12 0.32 -0.57 118.70 123.36 2rml s GLU 117 Ca 0.11 -0.09 -0.26 0.00 0.36 0.00 0.00 54.97 55.09 2rml s GLU 117 Cb -0.10 -1.35 0.09 0.00 0.26 0.00 0.00 34.13 33.02 2rml s GLU 117 CO 0.01 -0.37 0.79 1.52 -0.54 0.00 0.00 175.26 176.66 2rml s TYR 118 N 1.89 -0.40 -0.25 5.30 1.13 -0.62 -0.70 117.35 123.69 2rml s TYR 118 Ca 0.04 0.22 -0.12 0.00 -1.41 0.00 0.00 57.07 55.79 2rml s TYR 118 Cb -0.13 0.56 -0.05 0.00 -1.10 0.00 0.00 41.96 41.24 2rml s TYR 118 CO -0.06 -0.69 0.24 0.54 -2.51 0.00 0.00 175.55 173.07 2rml s ASN 119 N -2.61 6.15 0.00 -0.18 2.20 -1.26 -1.39 114.94 117.85 2rml s ASN 119 Ca 0.04 0.15 0.22 0.00 -0.94 0.00 0.00 52.86 52.34 2rml s ASN 119 Cb -0.01 -2.14 1.14 0.00 -2.00 0.00 0.00 41.25 38.24 2rml s ASN 119 CO -0.09 -0.03 1.76 -0.81 -2.94 0.00 0.00 177.10 174.98 2rml n PRO 120 N 4.74 1.26 -0.19 3.55 -0.04 -1.26 -4.14 135.00 138.92 2rml n PRO 120 Ca -0.13 -0.38 0.07 0.00 -0.04 0.00 0.00 63.50 63.02 2rml n PRO 120 Cb 0.52 -1.37 0.35 0.00 -0.04 0.00 0.00 33.50 32.96 2rml n PRO 120 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2rml h LYS 121 N 0.81 0.73 0.00 0.54 3.11 -1.95 -3.03 116.57 116.79 2rml h LYS 121 Ca 0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2rml h LYS 121 Cb 0.18 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 2rml h LYS 121 CO 0.00 0.49 -0.08 0.39 -2.81 0.00 0.00 179.45 177.44 2rml n GLU 122 N -4.48 1.23 -3.62 1.90 -0.58 -1.26 -5.08 120.64 108.74 2rml n GLU 122 Ca 0.11 -2.18 -0.12 0.00 -0.42 0.00 0.00 57.16 54.55 2rml n GLU 122 Cb 0.24 -1.27 -0.05 0.00 -0.57 0.00 0.00 31.44 29.79 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 -2.19 -1.08 0.12 0.62 0.00 -1.15 -5.05 121.76 113.03 2rml s ALA 123 Ca 0.23 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 2rml s ALA 123 Cb 0.20 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.87 2rml s ALA 123 CO 0.02 -0.55 0.40 0.45 0.00 0.00 0.00 175.76 176.08 2rml n SER 124 N 0.16 -0.84 0.29 0.00 2.88 -1.26 -4.45 113.62 110.39 2rml n SER 124 Ca -0.17 -1.51 0.14 0.00 -1.33 0.00 0.00 58.87 56.00 2rml n SER 124 Cb 0.62 1.39 0.86 0.00 -0.75 0.00 0.00 64.21 66.33 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 1.43 0.54 -0.39 2.46 2.07 -2.00 -2.80 116.25 117.54 2rml h VAL 125 Ca -0.13 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2rml h VAL 125 Cb 0.52 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 2rml h VAL 125 CO 0.17 0.04 -0.55 0.28 0.02 0.00 0.00 177.57 177.53 2rml h SER 126 N 0.00 -1.83 -0.96 0.57 0.02 -1.99 -0.97 113.55 108.40 2rml h SER 126 Ca -0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2rml h SER 126 Cb 0.10 0.75 -0.05 0.00 0.14 0.00 0.00 62.40 63.34 2rml h SER 126 CO 0.00 -0.40 0.61 0.44 -1.14 0.00 0.00 176.83 176.35 2rml h ASP 127 N -0.40 1.13 0.11 3.07 5.19 -1.90 0.45 116.42 124.07 2rml h ASP 127 Ca 0.07 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2rml h ASP 127 Cb 0.58 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2rml h ASP 127 CO -0.58 0.84 -0.05 -0.07 -3.12 0.00 0.00 179.24 176.25 2rml h LEU 128 N 1.31 -0.13 -0.19 1.55 3.38 -1.59 -1.90 115.31 117.74 2rml h LEU 128 Ca 0.35 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2rml h LEU 128 Cb -0.11 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2rml h LEU 128 CO -0.07 0.35 -0.45 0.11 0.09 0.00 0.00 178.44 178.47 2rml h LYS 129 N -0.64 -0.46 0.00 1.13 1.79 -1.02 -1.42 116.57 115.94 2rml h LYS 129 Ca -0.02 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2rml h LYS 129 Cb 0.50 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2rml h LYS 129 CO 0.03 -0.31 0.00 0.39 -1.08 0.00 0.00 179.45 178.48 2rml n GLU 130 N -5.43 0.05 0.01 3.15 1.02 0.13 -0.17 120.64 119.40 2rml n GLU 130 Ca -0.04 0.20 -0.19 0.00 -0.02 0.00 0.00 57.16 57.10 2rml n GLU 130 Cb 0.36 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 2rml n GLU 130 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rml h ALA 131 N 2.62 0.01 0.00 0.62 0.00 -1.24 -3.40 119.26 117.86 2rml h ALA 131 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 54.06 2rml h ALA 131 Cb 0.39 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2rml h ALA 131 CO 0.00 0.44 -0.30 0.28 0.00 0.00 0.00 179.25 179.67 2rml h VAL 132 N -0.49 0.80 0.00 0.00 2.07 0.09 -3.18 116.25 115.53 2rml h VAL 132 Ca -0.17 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 2rml h VAL 132 Cb 1.55 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2rml h VAL 132 CO 0.08 0.30 -0.00 -0.78 0.02 0.00 0.00 177.57 177.19 2rml h ASP 133 N 0.00 0.00 0.29 0.57 3.58 -0.77 -0.50 116.42 119.58 2rml h ASP 133 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2rml h ASP 133 Cb 0.75 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.80 2rml h ASP 133 CO 0.04 0.00 -0.12 0.50 -2.88 0.00 0.00 179.24 176.78 2rml h LYS 134 N 0.00 0.00 0.00 0.28 1.63 -1.78 -2.17 116.57 114.53 2rml h LYS 134 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2rml h LYS 134 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2rml h LYS 134 CO 0.00 0.12 -1.15 1.28 -3.45 0.00 0.00 179.45 176.25 2rml n LEU 135 N -3.80 0.73 0.00 5.20 7.99 -0.28 -5.02 117.00 121.83 2rml n LEU 135 Ca -0.02 -0.31 0.00 0.00 -0.01 0.00 0.00 56.01 55.67 2rml n LEU 135 Cb 0.22 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 2rml n LEU 135 CO 0.31 0.17 0.00 0.61 -1.51 0.00 0.00 177.39 176.97 2rml n GLY 136 N 1.44 0.90 2.74 -0.72 0.00 -0.73 -5.06 105.19 103.77 2rml n GLY 136 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 -3.96 -4.01 1.61 4.01 -1.23 -4.97 117.16 106.61 2rml n TYR 137 Ca 0.00 -0.83 -0.08 0.00 -0.16 0.00 0.00 57.90 56.83 2rml n TYR 137 Cb 0.00 -0.75 -0.09 0.00 -0.31 0.00 0.00 39.34 38.19 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 -5.05 0.62 -0.55 -0.72 0.00 -1.25 -4.46 119.74 108.32 2rml s LYS 138 Ca 0.54 -1.04 -0.02 0.00 0.00 0.00 0.00 55.97 55.46 2rml s LYS 138 Cb -0.02 0.23 0.14 0.00 0.00 0.00 0.00 37.83 38.18 2rml s LYS 138 CO 0.38 -0.14 0.35 -0.51 0.00 0.00 0.00 175.35 175.43 2rml s LEU 139 N -2.64 5.08 -0.26 2.77 1.43 -1.26 -2.96 118.68 120.85 2rml s LEU 139 Ca 0.02 -2.69 -0.28 0.00 -1.03 0.00 0.00 54.13 50.15 2rml s LEU 139 Cb 0.04 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2rml s LEU 139 CO -0.08 -0.38 1.03 -0.54 0.23 0.00 0.00 176.35 176.60 2rml s LYS 140 N 0.18 4.18 0.51 1.70 -0.14 -0.47 -4.87 119.74 120.83 2rml s LYS 140 Ca 0.15 1.20 -0.20 0.00 -1.36 0.00 0.00 55.97 55.76 2rml s LYS 140 Cb -0.22 -3.68 -0.07 0.00 -1.68 0.00 0.00 37.83 32.18 2rml s LYS 140 CO -0.03 -0.72 1.06 -0.51 -0.76 0.00 0.00 175.35 174.40 2rml s LEU 141 N 3.32 3.79 -0.34 3.17 1.43 -1.26 -0.56 118.68 128.23 2rml s LEU 141 Ca 0.43 1.99 -0.16 0.00 -1.03 0.00 0.00 54.13 55.36 2rml s LEU 141 Cb -0.14 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 2rml s LEU 141 CO 0.10 -0.93 0.39 -0.75 0.23 0.00 0.00 176.35 175.38 2rml s LYS 142 N -3.31 3.57 0.00 1.70 2.20 -1.23 -1.53 119.74 121.14 2rml s LYS 142 Ca 0.68 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 2rml s LYS 142 Cb -0.18 -3.80 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 2rml s LYS 142 CO 0.23 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 2rml n GLY 143 N 4.92 1.87 1.41 5.54 0.00 -1.26 -4.72 105.19 112.96 2rml n GLY 143 Ca -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 2rml n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rml n GLU 144 N 0.00 1.09 0.00 1.61 1.02 -1.26 -3.44 120.64 119.66 2rml n GLU 144 Ca 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2rml n GLU 144 Cb 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2rml n GLU 144 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2rml n GLN 145 N 1.10 0.00 0.08 3.49 7.27 -1.22 -4.68 117.38 123.42 2rml n GLN 145 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.07 2rml n GLN 145 Cb 0.52 0.00 0.17 0.00 2.41 0.00 0.00 30.24 33.34 2rml n GLN 145 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2rml h ASP 146 N 0.00 0.29 0.00 1.69 1.82 -1.48 -3.48 116.42 115.26 2rml h ASP 146 Ca 0.00 -0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2rml h ASP 146 Cb 0.00 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2rml h ASP 146 CO 0.00 0.74 0.00 -1.20 -1.61 0.00 0.00 179.24 177.17