#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml n LEU 2 N 0.00 -0.12 0.23 4.03 7.94 -1.26 -4.88 117.00 122.94 2rml n LEU 2 Ca 0.00 -0.94 0.16 0.00 -1.11 0.00 0.00 56.01 54.12 2rml n LEU 2 Cb 0.00 -1.14 0.79 0.00 0.53 0.00 0.00 43.42 43.60 2rml n LEU 2 CO 0.00 0.59 0.97 -1.28 -1.11 0.00 0.00 177.39 176.56 2rml h SER 3 N -1.01 0.00 -2.70 1.96 0.87 -2.06 -3.44 113.55 107.16 2rml h SER 3 Ca -0.52 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.27 2rml h SER 3 Cb 1.01 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.68 2rml h SER 3 CO 0.37 0.00 0.94 -1.83 -0.53 0.00 0.00 176.83 175.78 2rml s GLU 4 N -3.72 0.05 -0.09 2.24 -1.05 -1.26 -5.16 118.70 109.71 2rml s GLU 4 Ca -0.02 0.03 -0.12 0.00 -0.15 0.00 0.00 54.97 54.71 2rml s GLU 4 Cb 0.09 0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.76 2rml s GLU 4 CO 0.34 -0.01 0.29 -0.65 0.95 0.00 0.00 175.26 176.18 2rml s GLN 5 N -0.61 3.88 0.10 -4.83 -0.21 -1.26 -4.85 119.66 111.88 2rml s GLN 5 Ca 0.08 0.15 0.10 0.00 0.02 0.00 0.00 55.36 55.72 2rml s GLN 5 Cb -0.03 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 2rml s GLN 5 CO -0.11 0.58 -0.26 0.15 -2.12 0.00 0.00 175.29 173.53 2rml s LYS 6 N -0.59 1.47 0.08 2.91 -0.14 -0.59 -4.88 119.74 117.99 2rml s LYS 6 Ca 0.19 -1.25 0.04 0.00 -1.36 0.00 0.00 55.97 53.59 2rml s LYS 6 Cb -0.14 -1.85 -0.04 0.00 -1.68 0.00 0.00 37.83 34.12 2rml s LYS 6 CO 0.08 0.45 0.01 -1.83 -0.76 0.00 0.00 175.35 173.29 2rml s GLU 7 N -1.80 2.61 0.03 1.68 1.03 -1.26 -0.84 118.70 120.15 2rml s GLU 7 Ca 0.12 -0.79 -0.25 0.00 0.03 0.00 0.00 54.97 54.09 2rml s GLU 7 Cb -0.10 -2.58 0.06 0.00 -0.80 0.00 0.00 34.13 30.71 2rml s GLU 7 CO 0.05 0.56 0.57 -1.50 -1.33 0.00 0.00 175.26 173.60 2rml s ILE 8 N -1.28 0.02 0.03 1.83 1.10 -0.62 -5.01 121.20 117.25 2rml s ILE 8 Ca 0.25 -0.15 -0.09 0.00 -0.51 0.00 0.00 60.65 60.16 2rml s ILE 8 Cb -0.12 -0.97 0.00 0.00 0.15 0.00 0.00 42.46 41.53 2rml s ILE 8 CO 0.17 -0.08 0.18 0.00 -2.11 0.00 0.00 174.94 173.10 2rml s ALA 9 N -2.16 -0.35 -0.04 1.50 0.00 -1.26 -0.49 121.76 118.97 2rml s ALA 9 Ca -0.07 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.50 2rml s ALA 9 Cb -0.01 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.37 2rml s ALA 9 CO 0.01 -0.32 0.35 -1.64 0.00 0.00 0.00 175.76 174.16 2rml s MET 10 N -2.22 0.65 0.40 0.00 -1.94 -0.07 -2.53 119.30 113.59 2rml s MET 10 Ca -0.08 -0.04 -0.25 0.00 -1.71 0.00 0.00 55.69 53.62 2rml s MET 10 Cb -0.03 0.29 -0.08 0.00 2.01 0.00 0.00 34.83 37.02 2rml s MET 10 CO -0.02 -0.17 1.13 -1.14 -0.01 0.00 0.00 175.02 174.81 2rml s GLN 11 N -1.04 4.07 0.02 2.03 -0.44 -1.26 -0.48 119.66 122.55 2rml s GLN 11 Ca -0.11 1.74 -0.01 0.00 -2.50 0.00 0.00 55.36 54.48 2rml s GLN 11 Cb -0.04 -2.62 -0.02 0.00 -1.64 0.00 0.00 33.01 28.68 2rml s GLN 11 CO 0.04 -0.28 -0.01 0.54 0.50 0.00 0.00 175.29 176.08 2rml s VAL 12 N -1.49 0.11 0.18 1.34 0.11 0.40 -3.91 120.40 117.13 2rml s VAL 12 Ca 0.58 -0.92 -0.07 0.00 -2.93 0.00 0.00 61.98 58.64 2rml s VAL 12 Cb -0.28 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2rml s VAL 12 CO 0.35 -0.50 0.25 -0.55 -3.33 0.00 0.00 175.10 171.31 2rml s SER 13 N -1.50 0.08 0.00 3.54 0.15 0.27 -4.52 113.70 111.72 2rml s SER 13 Ca -0.15 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2rml s SER 13 Cb -0.09 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2rml s SER 13 CO -0.01 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.14 2rml n GLY 14 N -0.23 0.84 0.75 9.45 0.00 -1.26 -0.69 105.19 114.04 2rml n GLY 14 Ca -0.04 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.28 2.02 0.00 1.61 2.81 -1.26 -4.57 117.12 115.45 2rml n MET 15 Ca 0.00 -1.07 0.05 0.00 -1.81 0.00 0.00 57.70 54.87 2rml n MET 15 Cb 0.00 -1.48 0.27 0.00 -0.71 0.00 0.00 33.22 31.29 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 0.27 0.55 0.99 2.03 -1.04 -1.26 -0.85 114.28 114.96 2rml n THR 16 Ca 0.10 0.14 0.12 0.00 -2.04 0.00 0.00 64.05 62.37 2rml n THR 16 Cb 0.41 -0.97 0.27 0.00 -1.82 0.00 0.00 70.33 68.22 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rml n ALA 18 N 0.94 0.00 0.23 0.00 0.00 -0.03 -4.45 120.51 117.20 2rml n ALA 18 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.70 2rml n ALA 18 Cb 0.50 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.40 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 1.26 -0.29 0.00 0.00 -1.26 -1.26 120.51 118.96 2rml n ALA 19 Ca 0.00 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.67 2rml n ALA 19 Cb 0.00 -1.28 0.26 0.00 0.00 0.00 0.00 19.45 18.43 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 1.76 -0.08 -0.89 0.00 0.00 -1.49 -0.72 119.26 117.84 2rml h ALA 21 Ca 0.52 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.47 2rml h ALA 21 Cb 1.02 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2rml h ALA 21 CO -0.64 -0.56 0.57 0.00 0.00 0.00 0.00 179.25 178.61 2rml h ALA 22 N 0.85 1.18 -0.72 0.00 0.00 -1.53 -1.99 119.26 117.05 2rml h ALA 22 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2rml h ALA 22 Cb 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2rml h ALA 22 CO -0.04 0.40 0.29 0.00 0.00 0.00 0.00 179.25 179.90 2rml h ARG 23 N 1.09 1.06 0.07 0.00 2.47 -0.72 -2.50 114.38 115.85 2rml h ARG 23 Ca 0.36 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2rml h ARG 23 Cb 0.04 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 2rml h ARG 23 CO -0.13 0.86 -0.03 0.82 0.56 0.00 0.00 179.97 182.05 2rml h ILE 24 N 1.04 1.19 -0.22 2.04 1.08 -0.44 -0.47 117.51 121.73 2rml h ILE 24 Ca 0.24 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.73 2rml h ILE 24 Cb 0.19 1.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 2rml h ILE 24 CO -0.02 0.24 0.09 -0.33 -0.69 0.00 0.00 178.15 177.44 2rml h GLU 25 N -0.54 0.32 -0.75 2.37 5.08 -1.42 -1.76 114.58 117.89 2rml h GLU 25 Ca -0.01 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2rml h GLU 25 Cb 0.46 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2rml h GLU 25 CO 0.02 0.37 0.46 -0.22 -1.00 0.00 0.00 179.01 178.63 2rml h LYS 26 N 0.21 0.84 -0.67 2.33 3.64 -1.56 -2.39 116.57 118.97 2rml h LYS 26 Ca 0.07 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2rml h LYS 26 Cb 0.16 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2rml h LYS 26 CO -0.01 0.55 0.43 0.78 -2.27 0.00 0.00 179.45 178.94 2rml h GLY 27 N 0.86 0.94 0.59 5.01 0.00 -0.24 -2.83 103.07 107.41 2rml h GLY 27 Ca 0.32 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 2rml h GLY 27 CO -0.15 0.32 -0.38 1.41 0.00 0.00 0.00 176.54 177.74 2rml h LEU 28 N 0.87 0.35 0.00 3.11 4.07 -1.41 -3.37 115.31 118.93 2rml h LEU 28 Ca 0.25 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 57.46 2rml h LEU 28 Cb -0.06 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.57 2rml h LEU 28 CO -0.07 1.06 0.03 1.17 -1.08 0.00 0.00 178.44 179.55 2rml n LYS 29 N -4.40 0.00 0.24 1.13 4.81 -0.90 -2.72 118.16 116.32 2rml n LYS 29 Ca -0.10 0.38 0.11 0.00 -0.87 0.00 0.00 58.31 57.83 2rml n LYS 29 Cb 0.56 -1.53 0.55 0.00 0.02 0.00 0.00 35.03 34.63 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 0.00 -6.23 1.64 3.08 -1.71 -3.47 114.38 107.70 2rml h ARG 30 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2rml h ARG 30 Cb 0.06 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.97 2rml h ARG 30 CO 0.00 0.20 -0.66 0.00 -1.07 0.00 0.00 179.97 178.43 2rml s MET 31 N -3.84 2.67 0.62 0.04 0.23 -1.10 -5.03 119.30 112.90 2rml s MET 31 Ca -0.01 -0.69 0.39 0.00 -1.03 0.00 0.00 55.69 54.35 2rml s MET 31 Cb 0.11 -2.60 2.05 0.00 -1.53 0.00 0.00 34.83 32.87 2rml s MET 31 CO 0.62 0.60 2.26 -1.00 -2.03 0.00 0.00 175.02 175.47 2rml h PRO 32 N 4.23 0.00 0.00 3.16 0.13 -1.90 -2.31 132.00 135.32 2rml h PRO 32 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2rml h PRO 32 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2rml h PRO 32 CO 0.57 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 2rml n GLY 33 N -0.88 -0.91 3.42 1.56 0.00 -1.26 -4.78 105.19 102.35 2rml n GLY 33 Ca -0.02 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 2.19 0.00 1.61 0.11 -0.87 -1.17 120.40 120.28 2rml s VAL 34 Ca 0.29 -2.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.02 2rml s VAL 34 Cb 0.13 -2.20 0.00 0.00 -1.53 0.00 0.00 36.38 32.79 2rml s VAL 34 CO 0.23 -0.47 0.00 1.07 -3.33 0.00 0.00 175.10 172.60 2rml n THR 35 N -0.51 0.00 -3.52 5.04 5.66 -0.50 -4.79 114.28 115.65 2rml n THR 35 Ca -0.06 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.76 2rml n THR 35 Cb 0.60 0.91 -0.06 0.00 -1.55 0.00 0.00 70.33 70.23 2rml n THR 35 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2rml s ASP 36 N 0.00 -0.66 -0.14 1.09 -1.08 -0.33 -4.99 116.67 110.56 2rml s ASP 36 Ca 0.00 0.74 -0.07 0.00 -0.52 0.00 0.00 52.55 52.70 2rml s ASP 36 Cb 0.00 0.56 0.06 0.00 -1.46 0.00 0.00 42.92 42.08 2rml s ASP 36 CO 0.00 -0.60 0.32 0.00 0.52 0.00 0.00 175.17 175.41 2rml s ALA 37 N -1.14 -0.77 -0.07 3.66 0.00 -1.26 -0.87 121.76 121.30 2rml s ALA 37 Ca -0.11 1.20 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 2rml s ALA 37 Cb -0.00 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.27 2rml s ALA 37 CO 0.10 -0.36 -0.04 -0.80 0.00 0.00 0.00 175.76 174.66 2rml s ASN 38 N 1.67 1.56 -0.15 0.00 0.01 -0.06 -4.79 114.94 113.17 2rml s ASN 38 Ca -0.07 -0.16 0.02 0.00 -0.71 0.00 0.00 52.86 51.94 2rml s ASN 38 Cb -0.10 -0.56 0.01 0.00 0.41 0.00 0.00 41.25 41.01 2rml s ASN 38 CO -0.10 -0.12 -0.21 0.54 -1.51 0.00 0.00 177.10 175.70 2rml s VAL 39 N 1.53 2.04 -0.51 1.60 0.11 -1.26 -0.94 120.40 122.97 2rml s VAL 39 Ca -0.01 -0.95 -0.21 0.00 -2.93 0.00 0.00 61.98 57.88 2rml s VAL 39 Cb -0.13 -1.82 0.05 0.00 -1.53 0.00 0.00 36.38 32.95 2rml s VAL 39 CO -0.04 0.54 0.72 0.21 -3.33 0.00 0.00 175.10 173.20 2rml s ASN 40 N 1.01 6.28 0.26 3.54 2.47 -0.02 -4.95 114.94 123.53 2rml s ASN 40 Ca -0.02 -0.65 0.11 0.00 0.42 0.00 0.00 52.86 52.73 2rml s ASN 40 Cb -0.14 -2.34 0.29 0.00 -1.45 0.00 0.00 41.25 37.61 2rml s ASN 40 CO -0.06 -0.96 1.56 0.17 -3.72 0.00 0.00 177.10 174.09 2rml h LEU 41 N 10.05 0.00 0.00 3.21 8.10 -1.95 -0.46 115.31 134.27 2rml h LEU 41 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.72 2rml h LEU 41 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.31 2rml h LEU 41 CO 0.98 0.64 0.00 0.00 -4.11 0.00 0.00 178.44 175.96 2rml n ALA 42 N -2.38 1.72 -2.27 0.17 0.00 -1.26 -1.78 120.51 114.72 2rml n ALA 42 Ca -0.01 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.40 2rml n ALA 42 Cb 0.66 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.91 2rml n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2rml n THR 43 N -1.35 0.00 -3.68 0.00 -1.04 -1.21 -5.06 114.28 101.95 2rml n THR 43 Ca 0.05 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.05 61.40 2rml n THR 43 Cb 0.12 0.76 -0.00 0.00 -1.82 0.00 0.00 70.33 69.39 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2rml n GLU 44 N 0.27 -0.85 -3.94 -2.82 2.13 -0.41 -4.89 120.64 110.12 2rml n GLU 44 Ca 0.03 -0.29 -0.16 0.00 0.66 0.00 0.00 57.16 57.40 2rml n GLU 44 Cb 0.94 -0.19 -0.16 0.00 0.27 0.00 0.00 31.44 32.30 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 -4.36 0.17 -0.02 6.31 2.01 -0.32 -0.46 115.64 118.97 2rml s THR 45 Ca 0.11 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.17 2rml s THR 45 Cb -0.06 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2rml s THR 45 CO 0.28 0.11 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.73 2rml s SER 46 N 0.71 4.84 -0.04 3.53 0.15 0.37 -0.84 113.70 122.42 2rml s SER 46 Ca -0.07 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 2rml s SER 46 Cb -0.10 -1.22 0.03 0.00 -1.71 0.00 0.00 66.02 63.02 2rml s SER 46 CO -0.01 0.31 0.03 0.20 1.20 0.00 0.00 173.24 174.97 2rml s ASN 47 N -1.25 0.79 -0.00 5.45 0.01 -0.12 -0.90 114.94 118.92 2rml s ASN 47 Ca 0.16 0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.37 2rml s ASN 47 Cb -0.11 -0.18 -0.01 0.00 0.41 0.00 0.00 41.25 41.36 2rml s ASN 47 CO 0.06 -0.18 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.67 2rml s VAL 48 N 1.65 0.85 -0.13 1.60 1.01 0.36 -0.88 120.40 124.86 2rml s VAL 48 Ca -0.01 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2rml s VAL 48 Cb -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.55 2rml s VAL 48 CO -0.03 0.21 -0.17 -0.63 0.00 0.00 0.00 175.10 174.48 2rml s ILE 49 N -0.31 1.69 0.16 2.22 1.09 -0.05 -1.60 121.20 124.40 2rml s ILE 49 Ca 0.04 -0.74 -0.02 0.00 -1.10 0.00 0.00 60.65 58.83 2rml s ILE 49 Cb -0.04 -1.53 -0.04 0.00 -1.06 0.00 0.00 42.46 39.79 2rml s ILE 49 CO -0.00 0.48 0.11 -0.72 -0.10 0.00 0.00 174.94 174.70 2rml s TYR 50 N 1.07 0.94 -0.27 3.97 1.13 -0.02 -1.19 117.35 122.98 2rml s TYR 50 Ca -0.04 -1.26 -0.11 0.00 -1.41 0.00 0.00 57.07 54.26 2rml s TYR 50 Cb -0.14 -0.47 -0.05 0.00 -1.10 0.00 0.00 41.96 40.19 2rml s TYR 50 CO -0.04 -0.59 0.17 0.34 -2.51 0.00 0.00 175.55 172.92 2rml s ASP 51 N -3.09 5.98 0.00 -0.18 2.15 -0.31 -1.55 116.67 119.67 2rml s ASP 51 Ca 0.29 0.01 0.28 0.00 0.43 0.00 0.00 52.55 53.57 2rml s ASP 51 Cb 0.07 -2.10 1.63 0.00 -0.30 0.00 0.00 42.92 42.22 2rml s ASP 51 CO 0.06 -0.02 2.02 -0.81 -0.17 0.00 0.00 175.17 176.25 2rml n PRO 52 N 4.83 0.78 -0.07 4.34 -0.04 -1.26 -3.56 135.00 140.02 2rml n PRO 52 Ca -0.14 0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.26 2rml n PRO 52 Cb 0.52 -1.50 -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 h ALA 53 N 3.67 0.04 -0.29 0.55 0.00 -1.95 -3.41 119.26 117.87 2rml h ALA 53 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2rml h ALA 53 Cb 0.06 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2rml h ALA 53 CO 0.00 0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.97 2rml n GLU 54 N -4.64 1.68 -3.58 0.00 -0.58 -1.25 -4.83 120.64 107.45 2rml n GLU 54 Ca -0.09 -1.06 -0.16 0.00 -0.42 0.00 0.00 57.16 55.43 2rml n GLU 54 Cb 0.26 -1.24 -0.07 0.00 -0.57 0.00 0.00 31.44 29.83 2rml n GLU 54 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2rml s THR 55 N -1.61 0.00 0.44 2.62 2.01 -1.23 -4.14 115.64 113.73 2rml s THR 55 Ca 0.21 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.17 2rml s THR 55 Cb 0.11 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 2rml s THR 55 CO 0.14 -0.00 0.72 -0.83 -0.69 0.00 0.00 174.62 173.96 2rml s GLY 56 N -0.31 1.46 0.52 4.40 0.00 -1.26 -4.45 107.32 107.68 2rml s GLY 56 Ca -0.05 -0.66 0.32 0.00 0.00 0.00 0.00 44.72 44.33 2rml s GLY 56 CO 0.05 -0.52 1.94 0.00 0.00 0.00 0.00 173.10 174.57 2rml h THR 57 N 0.37 0.00 0.18 0.90 1.03 -1.96 -3.13 112.91 110.30 2rml h THR 57 Ca -0.48 -0.51 -0.27 0.00 -0.01 0.00 0.00 66.41 65.15 2rml h THR 57 Cb 1.21 1.48 0.02 0.00 -1.07 0.00 0.00 68.15 69.80 2rml h THR 57 CO 0.61 0.00 -1.20 0.00 -0.01 0.00 0.00 175.52 174.92 2rml h ALA 58 N 2.03 -0.07 -0.12 0.00 0.00 -1.95 -3.34 119.26 115.82 2rml h ALA 58 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 54.91 54.10 2rml h ALA 58 Cb 0.52 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2rml h ALA 58 CO 0.00 0.60 0.20 0.00 0.00 0.00 0.00 179.25 180.05 2rml h ALA 59 N 0.09 1.56 0.62 0.00 0.00 -1.96 -0.78 119.26 118.80 2rml h ALA 59 Ca -0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2rml h ALA 59 Cb 1.89 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.69 2rml h ALA 59 CO 0.19 -0.26 -0.30 0.82 0.00 0.00 0.00 179.25 179.70 2rml h ILE 60 N 0.00 0.39 0.00 0.00 1.08 -1.68 -1.84 117.51 115.46 2rml h ILE 60 Ca 0.05 -0.00 -0.19 0.00 -0.39 0.00 0.00 64.86 64.34 2rml h ILE 60 Cb 0.46 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 2rml h ILE 60 CO -0.00 0.00 -1.03 0.06 -0.69 0.00 0.00 178.15 176.49 2rml h GLN 61 N -0.84 0.00 -0.06 2.37 -0.00 -1.62 -3.27 115.11 111.69 2rml h GLN 61 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 2rml h GLN 61 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.12 2rml h GLN 61 CO 0.14 0.66 -0.02 1.49 -0.00 0.00 0.00 178.83 181.11 2rml h GLU 62 N 0.00 0.08 0.00 0.06 4.81 -1.21 -1.06 114.58 117.26 2rml h GLU 62 Ca -0.07 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2rml h GLU 62 Cb 1.67 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 2rml h GLU 62 CO 0.09 0.11 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.06 2rml h LYS 63 N 0.08 0.00 0.23 1.92 1.63 -1.38 -0.73 116.57 118.32 2rml h LYS 63 Ca 0.02 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2rml h LYS 63 Cb 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2rml h LYS 63 CO 0.00 0.21 -0.11 0.82 -3.45 0.00 0.00 179.45 176.92 2rml h ILE 64 N 0.00 0.84 -0.78 2.00 2.04 -1.34 -2.06 117.51 118.22 2rml h ILE 64 Ca -0.00 -0.61 0.17 0.00 1.00 0.00 0.00 64.86 65.41 2rml h ILE 64 Cb 0.38 1.19 -0.11 0.00 -0.74 0.00 0.00 36.82 37.54 2rml h ILE 64 CO 0.03 0.13 0.28 -0.33 0.00 0.00 0.00 178.15 178.26 2rml h GLU 65 N -0.63 0.36 0.00 2.37 4.39 -1.42 -0.97 114.58 118.69 2rml h GLU 65 Ca -0.03 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2rml h GLU 65 Cb 0.45 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2rml h GLU 65 CO 0.05 0.24 0.00 1.63 -1.16 0.00 0.00 179.01 179.77 2rml n LYS 66 N -5.07 0.72 0.00 2.33 4.76 -0.29 -1.86 118.16 118.76 2rml n LYS 66 Ca 0.16 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.71 2rml n LYS 66 Cb 0.48 -1.46 0.06 0.00 -1.84 0.00 0.00 35.03 32.27 2rml n LYS 66 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2rml n LEU 67 N -0.96 0.99 0.00 -0.35 7.99 -0.37 -5.01 117.00 119.29 2rml n LEU 67 Ca 0.16 -0.36 0.00 0.00 -0.01 0.00 0.00 56.01 55.80 2rml n LEU 67 Cb 0.07 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 2rml n LEU 67 CO 0.12 0.22 0.00 0.61 -1.51 0.00 0.00 177.39 176.83 2rml n GLY 68 N 1.47 0.98 3.31 -0.72 0.00 -0.78 -5.05 105.19 104.41 2rml n GLY 68 Ca 0.06 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2rml n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rml s TYR 69 N -2.00 2.02 -0.11 1.61 2.02 -1.25 -5.04 117.35 114.59 2rml s TYR 69 Ca 0.00 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 2rml s TYR 69 Cb 0.00 -1.15 -0.03 0.00 -0.40 0.00 0.00 41.96 40.38 2rml s TYR 69 CO 0.00 0.19 -0.00 -1.01 -1.57 0.00 0.00 175.55 173.16 2rml s HIS 70 N -0.97 3.12 0.00 2.71 3.76 0.13 -3.49 115.29 120.55 2rml s HIS 70 Ca 0.10 0.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 2rml s HIS 70 Cb -0.10 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.73 2rml s HIS 70 CO 0.04 0.30 1.24 0.28 -0.85 0.00 0.00 174.74 175.75 2rml n VAL 71 N 2.67 1.24 -3.66 -0.90 0.31 -1.26 -0.56 118.33 116.17 2rml n VAL 71 Ca -0.18 -0.16 -0.20 0.00 -0.01 0.00 0.00 64.34 63.78 2rml n VAL 71 Cb 0.53 -1.14 -0.06 0.00 -0.91 0.00 0.00 33.84 32.27 2rml n VAL 71 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2rml n VAL 72 N 0.90 -0.72 -2.54 2.52 0.24 -1.25 -4.59 118.33 112.89 2rml n VAL 72 Ca 0.00 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 2rml n VAL 72 Cb 0.46 -0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 32.11 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 -3.89 4.42 0.14 3.34 -4.23 -1.26 -4.30 115.64 109.87 2rml s THR 73 Ca 0.03 1.73 0.03 0.00 -1.18 0.00 0.00 61.69 62.30 2rml s THR 73 Cb -0.02 -4.11 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 2rml s THR 73 CO 0.62 0.03 -0.07 -0.70 -0.54 0.00 0.00 174.62 173.96 2rml s GLU 74 N 1.92 1.02 0.02 3.99 2.12 0.23 -4.98 118.70 123.02 2rml s GLU 74 Ca 0.54 -1.45 0.07 0.00 0.36 0.00 0.00 54.97 54.49 2rml s GLU 74 Cb -0.23 -0.44 -0.03 0.00 0.26 0.00 0.00 34.13 33.69 2rml s GLU 74 CO 0.22 -0.00 -0.19 -1.59 -0.54 0.00 0.00 175.26 173.16 2rml s LYS 75 N -3.81 2.11 0.05 4.30 -2.85 -1.26 -1.57 119.74 116.71 2rml s LYS 75 Ca 0.17 -0.95 -0.02 0.00 -1.00 0.00 0.00 55.97 54.18 2rml s LYS 75 Cb 0.04 -2.19 -0.03 0.00 -2.06 0.00 0.00 37.83 33.59 2rml s LYS 75 CO 0.00 0.55 -0.00 0.00 0.10 0.00 0.00 175.35 176.00 2rml s ALA 76 N -0.86 0.38 -0.06 0.59 0.00 -0.12 -5.01 121.76 116.68 2rml s ALA 76 Ca 0.14 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2rml s ALA 76 Cb -0.10 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.30 2rml s ALA 76 CO 0.04 -0.36 -0.11 -1.21 0.00 0.00 0.00 175.76 174.12 2rml s GLU 77 N -3.60 1.50 0.23 0.00 2.02 -1.26 -0.38 118.70 117.21 2rml s GLU 77 Ca 0.04 -0.37 0.11 0.00 0.02 0.00 0.00 54.97 54.77 2rml s GLU 77 Cb 0.05 -1.28 -0.05 0.00 0.10 0.00 0.00 34.13 32.96 2rml s GLU 77 CO -0.09 0.04 -0.17 -0.06 0.02 0.00 0.00 175.26 175.00 2rml s PHE 78 N 0.60 2.40 -0.12 1.61 0.40 -0.57 -3.34 117.98 118.96 2rml s PHE 78 Ca -0.12 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.86 2rml s PHE 78 Cb -0.15 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 2rml s PHE 78 CO 0.03 0.59 0.04 0.34 0.70 0.00 0.00 175.22 176.92 2rml s ASP 79 N -3.10 5.51 -0.24 1.36 -1.08 -0.19 -1.11 116.67 117.81 2rml s ASP 79 Ca 0.26 0.18 -0.11 0.00 -0.52 0.00 0.00 52.55 52.36 2rml s ASP 79 Cb -0.07 -1.71 -0.05 0.00 -1.46 0.00 0.00 42.92 39.64 2rml s ASP 79 CO 0.14 0.33 0.20 -0.63 0.52 0.00 0.00 175.17 175.72 2rml s ILE 80 N -0.59 5.33 -0.83 4.11 -1.09 0.14 -1.35 121.20 126.91 2rml s ILE 80 Ca 0.10 0.24 -0.14 0.00 -2.23 0.00 0.00 60.65 58.62 2rml s ILE 80 Cb -0.12 -3.53 0.21 0.00 -1.58 0.00 0.00 42.46 37.44 2rml s ILE 80 CO 0.02 0.31 0.79 -1.61 -1.23 0.00 0.00 174.94 173.23 2rml s GLU 81 N 1.24 3.59 0.00 2.79 2.02 -1.22 -4.56 118.70 122.55 2rml s GLU 81 Ca 0.09 -2.39 0.00 0.00 0.02 0.00 0.00 54.97 52.69 2rml s GLU 81 Cb -0.14 -4.47 0.00 0.00 0.10 0.00 0.00 34.13 29.62 2rml s GLU 81 CO 0.06 -1.33 0.00 0.41 0.02 0.00 0.00 175.26 174.42 2rml n GLY 82 N 4.13 -0.58 3.89 -1.39 0.00 -1.26 -4.08 105.19 105.90 2rml n GLY 82 Ca 0.14 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.96 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 3.44 0.00 1.61 0.23 -1.26 -5.02 119.30 118.30 2rml s MET 83 Ca 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 55.69 54.42 2rml s MET 83 Cb 0.00 -3.13 0.00 0.00 -1.53 0.00 0.00 34.83 30.17 2rml s MET 83 CO 0.00 0.72 0.46 0.25 -2.03 0.00 0.00 175.02 174.42 2rml n THR 84 N 1.35 0.12 -3.47 3.16 -2.24 -1.26 -4.93 114.28 107.02 2rml n THR 84 Ca -0.14 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 2rml n THR 84 Cb 0.54 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.88 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 2.08 1.03 -0.55 0.00 0.00 -1.96 -1.78 119.26 118.08 2rml h ALA 86 Ca -0.28 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.72 2rml h ALA 86 Cb 1.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2rml h ALA 86 CO 0.35 0.24 0.37 0.00 0.00 0.00 0.00 179.25 180.21 2rml h ALA 87 N 1.35 2.11 -0.01 0.00 0.00 -1.98 0.72 119.26 121.46 2rml h ALA 87 Ca 0.32 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 2rml h ALA 87 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2rml h ALA 87 CO -0.14 -0.24 -0.83 0.00 0.00 0.00 0.00 179.25 178.03 2rml h ALA 89 N 1.03 -0.12 -0.04 0.00 0.00 -1.10 -3.27 119.26 115.75 2rml h ALA 89 Ca -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2rml h ALA 89 Cb 1.44 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2rml h ALA 89 CO 0.12 -0.46 0.03 -0.91 0.00 0.00 0.00 179.25 178.03 2rml h ASN 90 N -0.33 0.00 -0.38 0.00 -0.26 -0.75 0.11 115.58 113.98 2rml h ASN 90 Ca -0.01 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.77 2rml h ASN 90 Cb 0.28 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.50 2rml h ASN 90 CO 0.02 0.00 0.15 0.03 -1.06 0.00 0.00 177.43 176.57 2rml h ARG 91 N 0.00 0.31 0.19 0.81 3.08 -1.37 -3.05 114.38 114.35 2rml h ARG 91 Ca 0.02 -0.02 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 2rml h ARG 91 Cb 0.08 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.09 2rml h ARG 91 CO -0.00 0.20 -1.40 -0.84 -1.07 0.00 0.00 179.97 176.86 2rml h ILE 92 N 0.32 1.35 -0.32 2.04 3.07 -1.29 -3.39 117.51 119.29 2rml h ILE 92 Ca 0.17 -2.86 0.07 0.00 1.55 0.00 0.00 64.86 63.79 2rml h ILE 92 Cb 0.13 2.98 -0.07 0.00 -0.27 0.00 0.00 36.82 39.58 2rml h ILE 92 CO -0.16 0.85 -0.18 -0.08 -1.05 0.00 0.00 178.15 177.53 2rml h GLU 93 N 0.11 -0.14 0.00 0.16 4.81 -0.81 0.74 114.58 119.45 2rml h GLU 93 Ca -0.21 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2rml h GLU 93 Cb 2.08 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.49 2rml h GLU 93 CO 0.24 -0.09 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.13 2rml h LYS 94 N -0.14 0.00 0.18 1.92 3.11 -1.73 -1.34 116.57 118.57 2rml h LYS 94 Ca 0.16 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.00 2rml h LYS 94 Cb 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 2rml h LYS 94 CO -0.40 0.07 -0.09 0.00 -2.81 0.00 0.00 179.45 176.22 2rml h ARG 95 N 0.00 -0.23 -0.58 1.90 2.47 -1.40 -3.40 114.38 113.14 2rml h ARG 95 Ca -0.00 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.84 2rml h ARG 95 Cb 0.17 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2rml h ARG 95 CO 0.01 -0.15 0.39 -0.07 0.56 0.00 0.00 179.97 180.71 2rml h LEU 96 N -1.06 0.32 -1.05 3.04 -0.00 -0.49 -0.42 115.31 115.64 2rml h LEU 96 Ca -0.02 0.01 0.07 0.00 -0.00 0.00 0.00 57.88 57.94 2rml h LEU 96 Cb 0.18 -0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 40.72 2rml h LEU 96 CO 0.04 0.19 0.63 0.78 -0.00 0.00 0.00 178.44 180.08 2rml h ASN 97 N 0.35 0.99 -1.30 -0.43 2.35 -1.47 -3.37 115.58 112.70 2rml h ASN 97 Ca 0.27 0.01 -0.39 0.00 -0.55 0.00 0.00 56.30 55.64 2rml h ASN 97 Cb 0.60 -0.20 -0.37 0.00 0.05 0.00 0.00 38.32 38.40 2rml h ASN 97 CO -0.07 0.62 -1.11 0.29 -1.65 0.00 0.00 177.43 175.52 2rml n LYS 98 N -4.51 1.07 0.00 0.81 5.02 -0.21 -3.38 118.16 116.96 2rml n LYS 98 Ca 0.15 -3.14 0.00 0.00 -2.02 0.00 0.00 58.31 53.30 2rml n LYS 98 Cb 0.21 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.07 0.00 -4.05 -0.18 5.41 -0.96 -4.93 119.36 114.72 2rml n ILE 99 Ca 0.15 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.59 2rml n ILE 99 Cb 0.75 -0.01 -0.16 0.00 -0.71 0.00 0.00 39.64 39.51 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 2.45 0.00 0.38 2.02 -1.26 -4.84 118.70 117.46 2rml s GLU 100 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.27 2rml s GLU 100 Cb 0.00 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2rml s GLU 100 CO 0.00 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.41 2rml n GLY 101 N 4.70 2.86 3.75 -1.39 0.00 -1.05 -4.63 105.19 109.43 2rml n GLY 101 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.97 2.14 -0.04 1.61 -7.23 -1.26 -2.08 120.40 112.56 2rml s VAL 102 Ca 0.00 0.10 -0.01 0.00 -1.81 0.00 0.00 61.98 60.26 2rml s VAL 102 Cb 0.00 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 2rml s VAL 102 CO 0.00 -0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.74 2rml n ALA 103 N -1.16 2.38 -2.68 1.32 0.00 -0.02 -4.66 120.51 115.69 2rml n ALA 103 Ca 0.11 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 2rml n ALA 103 Cb 0.46 0.43 -0.09 0.00 0.00 0.00 0.00 19.45 20.25 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 -4.97 0.17 -0.39 0.00 0.01 -0.60 -4.70 114.94 104.47 2rml s ASN 104 Ca -0.06 -0.55 0.07 0.00 -0.71 0.00 0.00 52.86 51.61 2rml s ASN 104 Cb 0.02 0.25 0.18 0.00 0.41 0.00 0.00 41.25 42.11 2rml s ASN 104 CO 0.08 -0.55 0.65 0.00 -1.51 0.00 0.00 177.10 175.78 2rml s ALA 105 N -2.83 -2.50 -0.07 0.60 0.00 -1.26 -0.53 121.76 115.16 2rml s ALA 105 Ca -0.03 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.04 2rml s ALA 105 Cb 0.00 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 2rml s ALA 105 CO -0.06 -2.18 0.96 -1.25 0.00 0.00 0.00 175.76 173.24 2rml s PRO 106 N 2.00 4.46 -0.02 0.00 0.04 -1.15 -4.56 135.00 135.77 2rml s PRO 106 Ca 0.15 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.46 2rml s PRO 106 Cb -0.04 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 2rml s PRO 106 CO -0.10 -0.21 0.24 0.08 0.04 0.00 0.00 177.00 177.06 2rml s VAL 107 N 1.62 5.34 0.08 -0.36 1.01 -1.26 -2.38 120.40 124.45 2rml s VAL 107 Ca 0.48 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 2rml s VAL 107 Cb -0.19 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 2rml s VAL 107 CO 0.21 0.42 0.54 0.21 0.00 0.00 0.00 175.10 176.47 2rml s ASN 108 N -1.58 6.96 0.00 3.32 3.84 0.13 -4.99 114.94 122.61 2rml s ASN 108 Ca 0.25 1.16 0.15 0.00 0.21 0.00 0.00 52.86 54.64 2rml s ASN 108 Cb -0.13 -2.32 0.27 0.00 -0.55 0.00 0.00 41.25 38.52 2rml s ASN 108 CO 0.14 0.24 1.17 0.49 -2.79 0.00 0.00 177.10 176.35 2rml n PHE 109 N 1.48 0.31 0.00 0.43 3.72 -1.26 -4.05 117.46 118.09 2rml n PHE 109 Ca -0.10 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 2rml n PHE 109 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2rml n ALA 110 N 0.91 1.90 0.25 4.37 0.00 -1.26 -4.68 120.51 121.99 2rml n ALA 110 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.69 2rml n ALA 110 Cb 0.44 0.14 0.19 0.00 0.00 0.00 0.00 19.45 20.23 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 0.19 0.00 -0.00 -2.00 -3.48 115.31 110.02 2rml h LEU 111 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 2rml h LEU 111 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.93 2rml h LEU 111 CO 0.00 0.00 -0.07 -0.62 -0.00 0.00 0.00 178.44 177.75 2rml n GLU 112 N -3.04 -0.65 -3.25 1.13 1.02 -1.26 -4.98 120.64 109.62 2rml n GLU 112 Ca 0.04 0.48 -0.19 0.00 -0.02 0.00 0.00 57.16 57.47 2rml n GLU 112 Cb 0.52 -4.18 0.00 0.00 -0.02 0.00 0.00 31.44 27.77 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 -1.95 3.66 -0.03 2.62 -4.23 -1.26 -0.69 115.64 113.76 2rml s THR 113 Ca 0.00 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 2rml s THR 113 Cb 0.00 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.60 2rml s THR 113 CO 0.00 -0.11 0.05 0.54 -0.54 0.00 0.00 174.62 174.56 2rml s VAL 114 N -2.29 -0.05 0.10 2.29 0.11 -0.27 -0.70 120.40 119.60 2rml s VAL 114 Ca 0.49 0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 59.45 2rml s VAL 114 Cb -0.10 -0.10 -0.06 0.00 -1.53 0.00 0.00 36.38 34.58 2rml s VAL 114 CO 0.33 0.07 0.82 -0.89 -3.33 0.00 0.00 175.10 172.10 2rml s THR 115 N 0.92 4.54 -0.02 5.04 2.01 -1.00 -1.52 115.64 125.61 2rml s THR 115 Ca -0.08 1.77 0.06 0.00 0.31 0.00 0.00 61.69 63.75 2rml s THR 115 Cb -0.11 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 2rml s THR 115 CO -0.03 0.41 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.41 2rml s VAL 116 N -0.41 1.61 -0.13 3.82 1.01 0.49 -2.91 120.40 123.87 2rml s VAL 116 Ca 0.40 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2rml s VAL 116 Cb -0.22 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2rml s VAL 116 CO 0.26 0.46 -0.13 -0.70 0.00 0.00 0.00 175.10 174.98 2rml s GLU 117 N -0.38 2.16 0.31 2.72 2.12 0.31 -0.94 118.70 124.99 2rml s GLU 117 Ca 0.05 -0.51 -0.19 0.00 0.36 0.00 0.00 54.97 54.68 2rml s GLU 117 Cb -0.09 -1.97 0.04 0.00 0.26 0.00 0.00 34.13 32.37 2rml s GLU 117 CO -0.00 -0.20 0.80 1.52 -0.54 0.00 0.00 175.26 176.84 2rml s TYR 118 N 1.40 -0.02 -0.15 5.30 1.13 -0.61 -0.84 117.35 123.57 2rml s TYR 118 Ca 0.02 -0.52 -0.09 0.00 -1.41 0.00 0.00 57.07 55.07 2rml s TYR 118 Cb -0.13 0.76 -0.05 0.00 -1.10 0.00 0.00 41.96 41.45 2rml s TYR 118 CO -0.08 -1.33 0.16 0.54 -2.51 0.00 0.00 175.55 172.33 2rml s ASN 119 N -3.03 6.33 0.00 -0.18 2.20 -0.88 -0.60 114.94 118.77 2rml s ASN 119 Ca 0.14 0.39 0.09 0.00 -0.94 0.00 0.00 52.86 52.54 2rml s ASN 119 Cb -0.05 -2.09 0.40 0.00 -2.00 0.00 0.00 41.25 37.51 2rml s ASN 119 CO 0.08 0.28 1.28 -0.81 -2.94 0.00 0.00 177.10 175.00 2rml n PRO 120 N 2.75 1.31 -0.12 3.55 -0.04 -1.26 -3.94 135.00 137.24 2rml n PRO 120 Ca -0.17 -0.47 -0.24 0.00 -0.04 0.00 0.00 63.50 62.58 2rml n PRO 120 Cb 0.53 -1.18 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.18 0.62 -0.10 0.54 4.76 -1.26 -4.60 118.16 117.95 2rml n LYS 121 Ca 0.08 0.23 0.04 0.00 -2.87 0.00 0.00 58.31 55.80 2rml n LYS 121 Cb 0.13 -1.53 0.09 0.00 -1.84 0.00 0.00 35.03 31.88 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 -3.79 2.12 -4.65 1.97 -0.58 -1.26 -4.96 120.64 109.49 2rml n GLU 122 Ca -0.48 -1.66 -0.29 0.00 -0.42 0.00 0.00 57.16 54.31 2rml n GLU 122 Cb 0.93 -1.19 -0.14 0.00 -0.57 0.00 0.00 31.44 30.47 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 -0.92 2.23 0.15 0.62 0.00 -1.25 -4.84 121.76 117.75 2rml s ALA 123 Ca 0.15 -1.33 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 2rml s ALA 123 Cb 0.09 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.85 2rml s ALA 123 CO 0.12 0.51 0.52 0.45 0.00 0.00 0.00 175.76 177.36 2rml s SER 124 N -1.59 -0.44 0.49 0.00 0.15 -1.26 -4.72 113.70 106.33 2rml s SER 124 Ca 0.12 -0.13 0.28 0.00 0.70 0.00 0.00 55.95 56.92 2rml s SER 124 Cb -0.10 0.55 1.11 0.00 -1.71 0.00 0.00 66.02 65.87 2rml s SER 124 CO 0.04 -0.92 1.90 0.58 1.20 0.00 0.00 173.24 176.03 2rml h VAL 125 N 2.14 0.35 -0.04 4.45 2.07 -1.99 -2.52 116.25 120.71 2rml h VAL 125 Ca -0.34 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 2rml h VAL 125 Cb 1.29 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2rml h VAL 125 CO 0.42 0.13 0.02 0.28 0.02 0.00 0.00 177.57 178.44 2rml h SER 126 N 0.00 0.05 -0.49 0.57 0.02 -1.99 -0.64 113.55 111.08 2rml h SER 126 Ca -0.00 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 2rml h SER 126 Cb 0.64 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2rml h SER 126 CO 0.02 0.13 -0.04 0.44 -1.14 0.00 0.00 176.83 176.24 2rml h ASP 127 N -0.04 0.92 -0.17 3.07 5.19 -1.89 -0.63 116.42 122.87 2rml h ASP 127 Ca 0.01 -0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.15 2rml h ASP 127 Cb 0.10 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 2rml h ASP 127 CO -0.00 1.00 0.05 -0.07 -3.12 0.00 0.00 179.24 177.09 2rml h LEU 128 N 0.85 0.26 -0.38 1.55 3.38 -1.44 -0.90 115.31 118.63 2rml h LEU 128 Ca 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2rml h LEU 128 Cb 0.56 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2rml h LEU 128 CO 0.03 0.42 0.18 0.11 0.09 0.00 0.00 178.44 179.27 2rml h LYS 129 N 0.09 0.55 -0.38 1.13 1.57 -1.02 -0.51 116.57 118.01 2rml h LYS 129 Ca 0.06 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2rml h LYS 129 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2rml h LYS 129 CO 0.00 0.48 0.26 0.93 -0.57 0.00 0.00 179.45 180.55 2rml h GLU 130 N 0.48 0.31 0.15 3.15 5.08 -1.04 -0.34 114.58 122.36 2rml h GLU 130 Ca 0.13 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.23 2rml h GLU 130 Cb 0.11 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.32 2rml h GLU 130 CO -0.02 0.20 -1.04 0.00 -1.00 0.00 0.00 179.01 177.15 2rml h ALA 131 N 1.79 -0.08 0.00 3.43 0.00 -0.78 -3.30 119.26 120.32 2rml h ALA 131 Ca 0.16 -0.74 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2rml h ALA 131 Cb 0.25 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2rml h ALA 131 CO -0.04 0.51 -0.47 0.28 0.00 0.00 0.00 179.25 179.53 2rml h VAL 132 N -0.08 0.99 -0.45 0.00 2.07 -0.89 -2.83 116.25 115.05 2rml h VAL 132 Ca -0.17 -1.88 0.09 0.00 0.82 0.00 0.00 66.70 65.56 2rml h VAL 132 Cb 1.79 2.13 -0.09 0.00 -1.52 0.00 0.00 31.29 33.60 2rml h VAL 132 CO 0.20 0.46 -0.17 -0.78 0.02 0.00 0.00 177.57 177.30 2rml h ASP 133 N 0.00 -0.60 0.24 0.57 1.82 -1.05 -2.36 116.42 115.04 2rml h ASP 133 Ca -0.00 0.16 -0.08 0.00 -0.39 0.00 0.00 57.03 56.71 2rml h ASP 133 Cb 1.09 0.35 -0.01 0.00 0.68 0.00 0.00 39.33 41.44 2rml h ASP 133 CO 0.06 -0.21 -0.32 0.50 -1.61 0.00 0.00 179.24 177.66 2rml h LYS 134 N -0.07 0.13 0.00 0.28 1.63 -1.58 -1.27 116.57 115.69 2rml h LYS 134 Ca 0.22 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2rml h LYS 134 Cb 0.41 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2rml h LYS 134 CO -0.50 0.45 0.00 1.28 -3.45 0.00 0.00 179.45 177.23 2rml n LEU 135 N -4.12 0.00 0.00 5.20 7.99 -1.00 -4.93 117.00 120.14 2rml n LEU 135 Ca -0.01 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 2rml n LEU 135 Cb 0.39 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 2rml n LEU 135 CO 0.40 -0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 2rml n GLY 136 N 0.72 0.96 0.00 -0.72 0.00 -0.48 -5.03 105.19 100.63 2rml n GLY 136 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.09 0.00 -3.88 1.61 4.01 -0.97 -5.01 117.16 110.83 2rml n TYR 137 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 2rml n TYR 137 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.46 1.21 -0.23 -0.72 0.00 -1.26 -3.29 119.74 115.90 2rml s LYS 138 Ca 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 55.97 54.89 2rml s LYS 138 Cb 0.00 0.42 0.01 0.00 0.00 0.00 0.00 37.83 38.26 2rml s LYS 138 CO 0.00 -0.46 -0.06 -0.51 0.00 0.00 0.00 175.35 174.31 2rml s LEU 139 N -2.93 2.93 0.31 2.77 1.43 -1.26 -3.46 118.68 118.48 2rml s LEU 139 Ca 0.14 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 2rml s LEU 139 Cb 0.02 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 2rml s LEU 139 CO -0.02 -0.06 0.57 -0.54 0.23 0.00 0.00 176.35 176.53 2rml s LYS 140 N 1.41 3.60 0.10 1.70 -0.14 -0.46 -4.96 119.74 120.99 2rml s LYS 140 Ca 0.04 -0.05 0.07 0.00 -1.36 0.00 0.00 55.97 54.67 2rml s LYS 140 Cb -0.15 -2.63 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 2rml s LYS 140 CO -0.05 0.18 -0.11 -0.51 -0.76 0.00 0.00 175.35 174.10 2rml s LEU 141 N -3.78 2.99 -0.46 3.17 1.43 -1.26 -1.02 118.68 119.75 2rml s LEU 141 Ca 0.43 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.88 2rml s LEU 141 Cb -0.10 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.35 2rml s LEU 141 CO 0.32 0.19 0.96 -0.75 0.23 0.00 0.00 176.35 177.30 2rml s LYS 142 N -2.13 3.58 0.00 1.70 2.47 -1.21 -1.32 119.74 122.83 2rml s LYS 142 Ca 0.21 0.25 0.00 0.00 -1.56 0.00 0.00 55.97 54.86 2rml s LYS 142 Cb -0.11 -3.92 0.00 0.00 -1.46 0.00 0.00 37.83 32.34 2rml s LYS 142 CO 0.13 -1.24 0.00 0.41 0.16 0.00 0.00 175.35 174.80 2rml n GLY 143 N 4.90 1.20 0.12 5.54 0.00 0.95 -4.71 105.19 113.18 2rml n GLY 143 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.24 0.10 1.61 2.13 -1.24 -4.39 120.64 119.10 2rml n GLU 144 Ca 0.00 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2rml n GLU 144 Cb 0.00 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 29.87 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 -2.28 0.00 -0.00 5.31 6.02 -0.87 -4.87 117.38 120.69 2rml n GLN 145 Ca 0.04 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.12 2rml n GLN 145 Cb 0.36 0.00 -0.12 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 -3.15 0.81 0.00 1.08 2.03 -0.44 -4.90 116.55 111.99 2rml n ASP 146 Ca 0.00 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.58 2rml n ASP 146 Cb 0.00 1.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.60 2rml n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04