#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rlo s ALA 2 N 0.00 4.54 -0.03 5.13 0.00 -1.26 -5.07 121.76 125.08 2rlo s ALA 2 Ca 0.00 -2.01 0.05 0.00 0.00 0.00 0.00 51.96 49.99 2rlo s ALA 2 Cb 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 2rlo s ALA 2 CO 0.00 -0.86 -0.17 0.42 0.00 0.00 0.00 175.76 175.15 2rlo s ILE 3 N -2.69 1.40 0.16 0.00 1.01 -1.26 -4.87 121.20 114.95 2rlo s ILE 3 Ca 0.61 -0.73 -0.31 0.00 0.00 0.00 0.00 60.65 60.22 2rlo s ILE 3 Cb -0.06 -1.18 -0.11 0.00 0.01 0.00 0.00 42.46 41.11 2rlo s ILE 3 CO 0.39 0.40 1.80 -0.81 0.00 0.00 0.00 174.94 176.72 2rlo n PRO 4 N 2.90 2.82 0.08 2.79 -0.04 -1.26 -0.70 135.00 141.58 2rlo n PRO 4 Ca -0.16 1.02 0.11 0.00 -0.04 0.00 0.00 63.50 64.43 2rlo n PRO 4 Cb 0.53 -2.90 -0.04 0.00 -0.04 0.00 0.00 33.50 31.06 2rlo n PRO 4 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2rlo n ILE 5 N 4.44 0.53 0.00 0.52 2.08 0.84 -4.87 119.36 122.90 2rlo n ILE 5 Ca 0.17 -0.55 0.00 0.00 0.56 0.00 0.00 62.75 62.93 2rlo n ILE 5 Cb 0.37 -0.29 0.00 0.00 -0.75 0.00 0.00 39.64 38.97 2rlo n ILE 5 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2rlo n LYS 6 N -2.61 0.00 -3.85 0.38 3.00 -0.81 -4.88 118.16 109.39 2rlo n LYS 6 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.01 2rlo n LYS 6 Cb 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.44 2rlo n LYS 6 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2rlo s GLN 7 N 0.00 1.20 0.14 1.64 -2.07 -1.26 0.86 119.66 120.17 2rlo s GLN 7 Ca 0.00 -0.76 -0.10 0.00 -1.82 0.00 0.00 55.36 52.68 2rlo s GLN 7 Cb 0.00 -2.38 0.04 0.00 -1.09 0.00 0.00 33.01 29.57 2rlo s GLN 7 CO 0.00 -0.63 0.48 0.45 -1.32 0.00 0.00 175.29 174.27 2rlo n SER 8 N 4.83 -1.03 -4.78 12.60 2.88 -0.03 -4.98 113.62 123.11 2rlo n SER 8 Ca -0.10 -1.63 -0.39 0.00 -1.33 0.00 0.00 58.87 55.42 2rlo n SER 8 Cb 0.45 1.69 -0.06 0.00 -0.75 0.00 0.00 64.21 65.54 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2rlo s PHE 9 N -4.63 3.86 0.12 0.66 0.08 -1.26 -0.65 117.98 116.16 2rlo s PHE 9 Ca 0.10 1.64 0.05 0.00 0.12 0.00 0.00 56.93 58.84 2rlo s PHE 9 Cb -0.02 -2.78 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 2rlo s PHE 9 CO 0.04 0.46 -0.11 -0.51 -0.10 0.00 0.00 175.22 175.00 2rlo s LEU 10 N -1.34 2.44 0.03 -0.37 1.02 -0.73 -4.25 118.68 115.48 2rlo s LEU 10 Ca 0.38 -0.86 -0.12 0.00 0.02 0.00 0.00 54.13 53.55 2rlo s LEU 10 Cb -0.22 -0.39 -0.06 0.00 0.02 0.00 0.00 46.19 45.54 2rlo s LEU 10 CO 0.26 -0.24 0.39 -0.22 0.02 0.00 0.00 176.35 176.56 2rlo s LEU 11 N -2.63 4.42 -0.18 1.79 2.96 -0.94 0.12 118.68 124.21 2rlo s LEU 11 Ca 0.09 0.87 -0.03 0.00 -0.22 0.00 0.00 54.13 54.84 2rlo s LEU 11 Cb -0.02 -2.72 0.06 0.00 0.50 0.00 0.00 46.19 44.01 2rlo s LEU 11 CO 0.01 0.27 0.03 -0.75 -1.32 0.00 0.00 176.35 174.59 2rlo s LYS 12 N -1.42 0.66 0.56 1.98 2.36 -0.62 -1.16 119.74 122.10 2rlo s LYS 12 Ca 0.27 -0.37 -0.20 0.00 -2.55 0.00 0.00 55.97 53.12 2rlo s LYS 12 Cb -0.15 -2.00 -0.06 0.00 -1.05 0.00 0.00 37.83 34.57 2rlo s LYS 12 CO 0.15 -0.60 1.04 2.89 1.55 0.00 0.00 175.35 180.37 2rlo n ARG 13 N 5.06 1.11 -1.22 4.03 1.85 -1.26 -1.12 116.66 125.11 2rlo n ARG 13 Ca -0.09 0.42 -0.05 0.00 -1.00 0.00 0.00 57.85 57.13 2rlo n ARG 13 Cb 0.47 -2.21 -0.04 0.00 -1.05 0.00 0.00 32.46 29.63 2rlo n ARG 13 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2rlo n SER 14 N -0.58 -0.67 0.00 2.89 7.64 0.31 -4.85 113.62 118.36 2rlo n SER 14 Ca 0.12 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.99 2rlo n SER 14 Cb 0.45 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 2rlo n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rlo n GLY 15 N -0.04 5.22 3.93 0.23 0.00 -1.25 -4.88 105.19 108.40 2rlo n GLY 15 Ca -0.21 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 2rlo n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rlo s ASN 16 N 1.00 3.94 0.07 1.61 0.01 -1.11 -4.88 114.94 115.59 2rlo s ASN 16 Ca 0.00 0.41 -0.15 0.00 -0.71 0.00 0.00 52.86 52.41 2rlo s ASN 16 Cb 0.00 -0.72 -0.21 0.00 0.41 0.00 0.00 41.25 40.73 2rlo s ASN 16 CO 0.00 -2.21 1.21 0.77 -1.51 0.00 0.00 177.10 175.36 2rlo h SER 17 N -1.19 0.86 0.48 -1.22 4.64 -2.01 -2.99 113.55 112.11 2rlo h SER 17 Ca -0.44 -0.71 -0.22 0.00 -0.47 0.00 0.00 61.79 59.95 2rlo h SER 17 Cb 1.28 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2rlo h SER 17 CO 0.51 1.45 -0.96 0.25 -0.87 0.00 0.00 176.83 177.21 2rlo h LEU 18 N 0.36 0.40 -6.89 5.97 5.85 -2.08 -3.38 115.31 115.55 2rlo h LEU 18 Ca -0.10 -0.34 -0.61 0.00 0.84 0.00 0.00 57.88 57.67 2rlo h LEU 18 Cb 1.54 -0.12 -0.42 0.00 0.37 0.00 0.00 40.66 42.03 2rlo h LEU 18 CO 0.18 1.16 -0.61 0.59 -0.34 0.00 0.00 178.44 179.42 2rlo n ASN 19 N -3.68 2.89 -4.48 1.25 4.13 -1.24 -5.10 115.26 109.03 2rlo n ASN 19 Ca -0.06 -3.19 -0.29 0.00 1.68 0.00 0.00 54.58 52.72 2rlo n ASN 19 Cb 0.85 -0.73 0.24 0.00 -1.54 0.00 0.00 39.78 38.60 2rlo n ASN 19 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2rlo n LYS 20 N 1.83 -2.14 -3.14 3.52 5.02 -1.13 -2.74 118.16 119.38 2rlo n LYS 20 Ca 0.22 -0.59 0.04 0.00 -2.02 0.00 0.00 58.31 55.96 2rlo n LYS 20 Cb 0.37 -2.15 -0.00 0.00 -0.02 0.00 0.00 35.03 33.23 2rlo n LYS 20 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2rlo s GLU 21 N -4.33 0.47 -0.03 1.97 2.56 -1.26 -4.83 118.70 113.24 2rlo s GLU 21 Ca 0.67 0.31 -0.14 0.00 0.00 0.00 0.00 54.97 55.81 2rlo s GLU 21 Cb -0.24 0.17 -0.05 0.00 2.00 0.00 0.00 34.13 36.01 2rlo s GLU 21 CO 0.64 -0.83 0.37 -1.58 -0.56 0.00 0.00 175.26 173.31 2rlo s TRP 22 N 2.69 3.68 0.14 5.30 0.52 -1.26 0.12 118.94 130.13 2rlo s TRP 22 Ca 0.16 0.90 0.07 0.00 0.02 0.00 0.00 56.10 57.25 2rlo s TRP 22 Cb -0.06 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 29.95 2rlo s TRP 22 CO -0.22 0.60 -0.04 0.21 0.02 0.00 0.00 176.95 177.52 2rlo s LYS 23 N -0.87 2.30 0.08 4.98 2.47 -0.28 -4.69 119.74 123.74 2rlo s LYS 23 Ca 0.22 -1.05 -0.31 0.00 -1.56 0.00 0.00 55.97 53.27 2rlo s LYS 23 Cb -0.16 -2.35 -0.09 0.00 -1.46 0.00 0.00 37.83 33.77 2rlo s LYS 23 CO 0.11 0.48 1.73 0.15 0.16 0.00 0.00 175.35 177.98 2rlo s LYS 24 N -2.59 4.17 0.34 4.03 1.02 -1.26 -1.60 119.74 123.86 2rlo s LYS 24 Ca 0.25 2.42 0.01 0.00 0.02 0.00 0.00 55.97 58.68 2rlo s LYS 24 Cb -0.10 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 2rlo s LYS 24 CO 0.17 -0.78 0.05 1.63 -0.92 0.00 0.00 175.35 175.49 2rlo n LYS 25 N 5.80 0.90 -3.68 1.68 5.02 0.31 -4.57 118.16 123.63 2rlo n LYS 25 Ca 0.17 -2.63 -0.24 0.00 -2.02 0.00 0.00 58.31 53.58 2rlo n LYS 25 Cb 0.40 1.03 -0.17 0.00 -0.02 0.00 0.00 35.03 36.27 2rlo n LYS 25 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2rlo s TYR 26 N -2.50 0.38 0.08 2.13 6.14 -0.79 -1.77 117.35 121.03 2rlo s TYR 26 Ca 0.07 -0.20 0.09 0.00 0.64 0.00 0.00 57.07 57.67 2rlo s TYR 26 Cb 0.00 -0.70 -0.03 0.00 0.42 0.00 0.00 41.96 41.65 2rlo s TYR 26 CO 0.05 -0.39 -0.25 0.08 0.64 0.00 0.00 175.55 175.68 2rlo s VAL 27 N 2.07 2.01 -0.16 3.14 1.01 0.17 0.11 120.40 128.74 2rlo s VAL 27 Ca 0.03 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.50 2rlo s VAL 27 Cb -0.14 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2rlo s VAL 27 CO -0.06 0.20 0.07 -0.89 0.00 0.00 0.00 175.10 174.42 2rlo s THR 28 N -0.92 0.05 -0.30 3.92 2.01 0.94 -0.85 115.64 120.48 2rlo s THR 28 Ca 0.11 -0.19 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 2rlo s THR 28 Cb -0.10 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 2rlo s THR 28 CO 0.03 -0.22 0.67 -0.22 -0.69 0.00 0.00 174.62 174.20 2rlo s LEU 29 N 2.08 4.13 0.29 4.42 1.98 0.25 -2.30 118.68 129.53 2rlo s LEU 29 Ca 0.02 0.50 0.07 0.00 -2.89 0.00 0.00 54.13 51.83 2rlo s LEU 29 Cb -0.16 -2.88 -0.03 0.00 0.66 0.00 0.00 46.19 43.78 2rlo s LEU 29 CO -0.08 -0.51 0.22 -0.55 -1.89 0.00 0.00 176.35 173.54 2rlo s SER 30 N 1.62 5.38 0.00 3.68 0.15 -1.11 0.29 113.70 123.72 2rlo s SER 30 Ca 0.27 -0.37 0.20 0.00 0.70 0.00 0.00 55.95 56.75 2rlo s SER 30 Cb -0.15 -1.21 1.19 0.00 -1.71 0.00 0.00 66.02 64.15 2rlo s SER 30 CO 0.12 -0.16 1.66 -0.24 1.20 0.00 0.00 173.24 175.82 2rlo n SER 31 N -1.24 0.00 -1.52 5.45 2.88 0.12 -3.39 113.62 115.92 2rlo n SER 31 Ca -0.05 -1.04 -0.06 0.00 -1.33 0.00 0.00 58.87 56.38 2rlo n SER 31 Cb 0.59 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.20 2rlo n SER 31 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2rlo n ASN 32 N -0.87 3.51 -3.92 -3.46 5.15 -1.26 -4.84 115.26 109.56 2rlo n ASN 32 Ca 0.15 -2.74 -0.30 0.00 -0.60 0.00 0.00 54.58 51.09 2rlo n ASN 32 Cb 0.07 -0.66 0.02 0.00 -0.53 0.00 0.00 39.78 38.68 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rlo n GLY 33 N -0.11 -0.45 2.72 8.20 0.00 -1.22 -4.95 105.19 109.38 2rlo n GLY 33 Ca 0.26 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 2rlo n GLY 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rlo s PHE 34 N -3.38 0.16 -0.32 1.61 5.36 -1.26 -1.80 117.98 118.36 2rlo s PHE 34 Ca 0.56 0.15 -0.12 0.00 -0.96 0.00 0.00 56.93 56.56 2rlo s PHE 34 Cb -0.28 -0.45 -0.03 0.00 -0.34 0.00 0.00 43.02 41.92 2rlo s PHE 34 CO 0.84 -0.18 0.21 -1.17 -1.46 0.00 0.00 175.22 173.47 2rlo s LEU 35 N 1.74 4.29 0.05 6.12 2.96 -0.93 -2.75 118.68 130.16 2rlo s LEU 35 Ca -0.00 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2rlo s LEU 35 Cb -0.12 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2rlo s LEU 35 CO -0.03 -0.17 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.96 2rlo s LEU 36 N 1.72 2.94 -0.24 -0.68 1.43 -0.97 -0.15 118.68 122.73 2rlo s LEU 36 Ca 0.06 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 2rlo s LEU 36 Cb -0.17 -1.72 0.07 0.00 0.03 0.00 0.00 46.19 44.40 2rlo s LEU 36 CO 0.10 0.24 0.60 -0.72 0.23 0.00 0.00 176.35 176.80 2rlo s TYR 37 N -1.05 -0.85 0.28 0.29 1.13 0.80 -0.04 117.35 117.91 2rlo s TYR 37 Ca 0.18 1.80 0.11 0.00 -1.41 0.00 0.00 57.07 57.74 2rlo s TYR 37 Cb -0.11 0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 41.13 2rlo s TYR 37 CO 0.09 -0.43 -0.18 -1.01 -2.51 0.00 0.00 175.55 171.52 2rlo s HIS 38 N 1.21 2.23 0.40 -3.49 0.09 0.12 -1.62 115.29 114.22 2rlo s HIS 38 Ca -0.07 -0.39 0.17 0.00 -0.00 0.00 0.00 55.06 54.76 2rlo s HIS 38 Cb -0.06 -1.02 1.05 0.00 -0.00 0.00 0.00 32.58 32.56 2rlo s HIS 38 CO -0.12 0.65 1.82 -1.35 -0.00 0.00 0.00 174.74 175.73 2rlo h PRO 39 N 2.27 0.43 0.00 8.40 0.11 -1.86 -2.10 132.00 139.25 2rlo h PRO 39 Ca -0.40 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.72 2rlo h PRO 39 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2rlo h PRO 39 CO 0.62 0.29 0.26 0.45 -0.21 0.00 0.00 178.00 179.40 2rlo n SER 40 N -4.57 -1.28 -0.17 -2.05 2.88 -1.26 -4.21 113.62 102.96 2rlo n SER 40 Ca 0.22 -1.81 -0.08 0.00 -1.33 0.00 0.00 58.87 55.87 2rlo n SER 40 Cb 0.74 2.11 0.01 0.00 -0.75 0.00 0.00 64.21 66.33 2rlo n SER 40 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2rlo h ILE 41 N 1.62 1.21 -0.72 2.46 5.03 -1.88 -1.94 117.51 123.29 2rlo h ILE 41 Ca -0.19 -0.66 0.21 0.00 -0.12 0.00 0.00 64.86 64.09 2rlo h ILE 41 Cb 0.76 0.71 -0.03 0.00 -3.03 0.00 0.00 36.82 35.24 2rlo h ILE 41 CO 0.25 0.25 0.57 0.78 -0.68 0.00 0.00 178.15 179.31 2rlo h ASN 42 N 0.67 0.00 0.24 1.72 2.35 -1.98 0.44 115.58 119.02 2rlo h ASN 42 Ca 0.17 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.65 2rlo h ASN 42 Cb 0.20 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.58 2rlo h ASN 42 CO -0.01 0.00 -1.09 0.44 -1.65 0.00 0.00 177.43 175.11 2rlo h ASP 43 N 0.00 0.71 0.06 5.81 5.19 -1.67 -1.70 116.42 124.82 2rlo h ASP 43 Ca 0.34 -0.61 -0.00 0.00 -0.62 0.00 0.00 57.03 56.14 2rlo h ASP 43 Cb 1.47 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2rlo h ASP 43 CO -0.00 1.42 -0.03 0.22 -3.12 0.00 0.00 179.24 177.73 2rlo h TYR 44 N 0.26 -0.07 0.82 4.55 3.20 -0.05 0.80 116.97 126.47 2rlo h TYR 44 Ca -0.13 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 2rlo h TYR 44 Cb 1.76 0.02 0.01 0.00 1.54 0.00 0.00 36.73 40.06 2rlo h TYR 44 CO 0.09 0.45 -0.40 0.82 -1.64 0.00 0.00 178.16 177.48 2rlo h ILE 45 N -0.65 0.00 0.00 1.81 2.04 -0.63 -3.16 117.51 116.93 2rlo h ILE 45 Ca -0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 2rlo h ILE 45 Cb 0.56 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2rlo h ILE 45 CO 0.01 0.00 -0.30 0.45 0.00 0.00 0.00 178.15 178.31 2rlo h HIS 46 N -1.10 0.00 -3.26 1.37 3.86 -1.44 -3.49 115.15 111.09 2rlo h HIS 46 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2rlo h HIS 46 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2rlo h HIS 46 CO 0.04 0.30 -0.02 0.45 0.86 0.00 0.00 177.93 179.56 2rlo n SER 47 N -3.38 -2.64 -4.14 2.45 2.88 0.24 -5.02 113.62 104.00 2rlo n SER 47 Ca 0.01 0.02 -0.32 0.00 -1.33 0.00 0.00 58.87 57.25 2rlo n SER 47 Cb 0.51 -1.48 -0.16 0.00 -0.75 0.00 0.00 64.21 62.32 2rlo n SER 47 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2rlo s THR 48 N -2.27 1.97 0.00 2.46 -4.23 0.10 -4.84 115.64 108.84 2rlo s THR 48 Ca 0.01 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2rlo s THR 48 Cb -0.00 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2rlo s THR 48 CO 0.08 0.53 0.00 1.41 -0.54 0.00 0.00 174.62 176.10 2rlo n HIS 49 N 4.16 0.00 -3.09 3.99 8.25 -1.26 -4.74 115.22 122.53 2rlo n HIS 49 Ca -0.20 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.24 2rlo n HIS 49 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2rlo n HIS 49 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rlo n GLY 50 N 0.00 -1.01 3.72 -1.41 0.00 -1.26 -4.90 105.19 100.33 2rlo n GLY 50 Ca 0.00 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2rlo n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rlo s LYS 51 N -1.23 4.50 -0.04 1.61 -0.14 -0.64 -4.93 119.74 118.87 2rlo s LYS 51 Ca 0.02 1.11 0.02 0.00 -1.36 0.00 0.00 55.97 55.76 2rlo s LYS 51 Cb -0.00 -3.43 0.01 0.00 -1.68 0.00 0.00 37.83 32.73 2rlo s LYS 51 CO 0.23 0.09 -0.09 -1.83 -0.76 0.00 0.00 175.35 173.00 2rlo s GLU 52 N 0.61 1.07 -0.18 1.68 -1.05 -1.26 -0.14 118.70 119.42 2rlo s GLU 52 Ca 0.42 -0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 2rlo s GLU 52 Cb -0.20 -0.98 0.02 0.00 -0.44 0.00 0.00 34.13 32.53 2rlo s GLU 52 CO 0.23 0.05 -0.18 1.41 0.95 0.00 0.00 175.26 177.72 2rlo s MET 53 N 0.45 3.04 0.19 -4.83 -2.45 0.79 -4.97 119.30 111.52 2rlo s MET 53 Ca -0.07 -0.80 -0.33 0.00 -1.25 0.00 0.00 55.69 53.23 2rlo s MET 53 Cb -0.11 -2.63 -0.13 0.00 1.25 0.00 0.00 34.83 33.21 2rlo s MET 53 CO 0.01 -0.20 1.59 -3.47 1.05 0.00 0.00 175.02 174.00 2rlo n ASP 54 N 4.63 3.30 -1.72 1.11 2.03 -1.26 -2.18 116.55 122.47 2rlo n ASP 54 Ca -0.21 1.09 -0.05 0.00 0.52 0.00 0.00 54.79 56.15 2rlo n ASP 54 Cb 0.50 -1.47 0.24 0.00 -0.72 0.00 0.00 41.12 39.67 2rlo n ASP 54 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2rlo n LEU 55 N 3.29 5.12 -0.06 -2.67 4.77 -0.75 -4.35 117.00 122.35 2rlo n LEU 55 Ca 0.15 -2.66 -0.05 0.00 -0.03 0.00 0.00 56.01 53.43 2rlo n LEU 55 Cb 0.31 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 2rlo n LEU 55 CO 0.63 0.70 -0.05 0.25 -1.33 0.00 0.00 177.39 177.59 2rlo h LEU 56 N 2.19 0.00 -4.97 2.23 5.85 -1.88 -3.23 115.31 115.49 2rlo h LEU 56 Ca 0.20 -0.22 -0.60 0.00 0.84 0.00 0.00 57.88 58.10 2rlo h LEU 56 Cb 1.96 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 42.58 2rlo h LEU 56 CO 0.57 0.73 -0.63 0.54 -0.34 0.00 0.00 178.44 179.31 2rlo n ARG 57 N -4.69 3.36 -3.99 1.25 1.74 -1.26 -4.65 116.66 108.42 2rlo n ARG 57 Ca -0.06 -4.69 -0.22 0.00 -0.77 0.00 0.00 57.85 52.11 2rlo n ARG 57 Cb 0.20 -2.25 -0.04 0.00 -1.02 0.00 0.00 32.46 29.35 2rlo n ARG 57 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2rlo s THR 58 N -4.94 4.04 0.27 0.55 -4.23 -1.26 -3.45 115.64 106.61 2rlo s THR 58 Ca 0.48 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2rlo s THR 58 Cb 0.33 -3.30 -0.05 0.00 1.34 0.00 0.00 72.50 70.82 2rlo s THR 58 CO -0.17 -0.28 0.06 -0.89 -0.54 0.00 0.00 174.62 172.81 2rlo s THR 59 N -2.21 0.84 -0.10 3.99 2.01 0.97 -4.95 115.64 116.18 2rlo s THR 59 Ca 0.36 -2.01 0.01 0.00 0.31 0.00 0.00 61.69 60.37 2rlo s THR 59 Cb -0.07 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.86 2rlo s THR 59 CO 0.25 -0.09 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.28 2rlo s VAL 60 N -3.55 1.31 0.18 3.82 1.01 -1.26 -1.17 120.40 120.73 2rlo s VAL 60 Ca 0.35 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2rlo s VAL 60 Cb 0.08 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2rlo s VAL 60 CO 0.13 0.40 -0.03 -0.54 0.00 0.00 0.00 175.10 175.07 2rlo s LYS 61 N 1.10 1.13 -0.05 2.72 1.02 -0.90 -4.94 119.74 119.83 2rlo s LYS 61 Ca -0.05 -1.54 0.05 0.00 0.02 0.00 0.00 55.97 54.45 2rlo s LYS 61 Cb -0.14 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 36.72 2rlo s LYS 61 CO -0.02 -0.07 -0.18 0.08 -0.92 0.00 0.00 175.35 174.24 2rlo s VAL 62 N -3.52 2.72 -0.81 3.17 1.01 -1.26 0.72 120.40 122.43 2rlo s VAL 62 Ca 0.22 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2rlo s VAL 62 Cb 0.05 -2.04 -0.18 0.00 0.00 0.00 0.00 36.38 34.20 2rlo s VAL 62 CO 0.04 0.58 2.07 -0.81 0.00 0.00 0.00 175.10 176.98 2rlo n PRO 63 N 2.51 0.23 0.00 2.72 -0.04 -1.26 -3.74 135.00 135.42 2rlo n PRO 63 Ca -0.17 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 2rlo n PRO 63 Cb 0.52 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 2rlo n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rlo n GLY 64 N 6.04 1.54 3.46 0.55 0.00 -1.26 -4.94 105.19 110.58 2rlo n GLY 64 Ca 0.42 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 2rlo n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rlo s LYS 65 N 0.00 -1.40 0.51 1.61 3.01 -1.25 -5.04 119.74 117.18 2rlo s LYS 65 Ca 0.00 0.57 0.03 0.00 -1.01 0.00 0.00 55.97 55.55 2rlo s LYS 65 Cb 0.00 -1.52 0.02 0.00 -1.01 0.00 0.00 37.83 35.32 2rlo s LYS 65 CO 0.00 -3.97 0.71 1.03 0.51 0.00 0.00 175.35 173.63 2rlo s ARG 66 N -4.69 2.68 0.20 1.68 1.81 -1.26 -4.35 118.95 115.02 2rlo s ARG 66 Ca 0.68 -0.84 -0.32 0.00 -1.72 0.00 0.00 55.73 53.53 2rlo s ARG 66 Cb -0.21 -2.56 -0.14 0.00 -0.45 0.00 0.00 34.95 31.59 2rlo s ARG 66 CO 0.62 -0.55 1.32 -2.30 -0.68 0.00 0.00 175.30 173.71 2rlo n PRO 67 N -2.19 1.67 -1.22 3.54 -0.02 -1.26 -4.88 135.00 130.63 2rlo n PRO 67 Ca 0.07 0.60 -0.29 0.00 -2.02 0.00 0.00 63.50 61.85 2rlo n PRO 67 Cb 0.59 -2.20 0.16 0.00 -0.02 0.00 0.00 33.50 32.03 2rlo n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2rlo s PRO 68 N -0.28 0.86 -0.22 0.52 0.04 -1.26 -5.07 135.00 129.59 2rlo s PRO 68 Ca 0.71 0.63 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 2rlo s PRO 68 Cb -0.74 -1.78 0.10 0.00 0.04 0.00 0.00 34.50 32.12 2rlo s PRO 68 CO 0.50 -2.47 0.23 1.03 0.04 0.00 0.00 177.00 176.33 2rlo s ARG 69 N -4.98 0.22 0.09 4.56 0.52 -1.26 -5.04 118.95 113.06 2rlo s ARG 69 Ca 0.64 0.12 -0.26 0.00 -0.52 0.00 0.00 55.73 55.71 2rlo s ARG 69 Cb -0.18 -1.10 -0.14 0.00 0.52 0.00 0.00 34.95 34.06 2rlo s ARG 69 CO 0.57 -0.74 1.69 0.00 0.02 0.00 0.00 175.30 176.85 2rlo h ALA 70 N 8.30 -0.28 -2.54 2.13 0.00 -2.03 -3.43 119.26 121.41 2rlo h ALA 70 Ca -0.17 -0.05 -0.58 0.00 0.00 0.00 0.00 54.91 54.12 2rlo h ALA 70 Cb 1.13 0.17 0.14 0.00 0.00 0.00 0.00 17.79 19.23 2rlo h ALA 70 CO 0.30 -0.67 0.10 -0.89 0.00 0.00 0.00 179.25 178.09 2rlo n ILE 71 N -5.24 2.75 -2.59 0.00 5.41 -1.26 -4.95 119.36 113.47 2rlo n ILE 71 Ca -0.08 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.02 2rlo n ILE 71 Cb 0.17 -1.12 0.02 0.00 -0.71 0.00 0.00 39.64 38.00 2rlo n ILE 71 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2rlo n SER 72 N 0.17 2.58 -1.27 4.38 7.64 -1.26 -4.85 113.62 121.00 2rlo n SER 72 Ca 0.11 -3.01 0.05 0.00 1.01 0.00 0.00 58.87 57.03 2rlo n SER 72 Cb 0.42 -0.50 0.25 0.00 -1.01 0.00 0.00 64.21 63.37 2rlo n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rlo n ALA 73 N -0.25 3.16 -0.58 -0.43 0.00 -1.26 -4.95 120.51 116.19 2rlo n ALA 73 Ca 0.19 -1.13 -0.30 0.00 0.00 0.00 0.00 53.44 52.20 2rlo n ALA 73 Cb 0.77 -1.05 0.27 0.00 0.00 0.00 0.00 19.45 19.44 2rlo n ALA 73 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2rlo s PHE 74 N -1.95 0.28 0.00 0.00 0.08 -1.26 -5.05 117.98 110.08 2rlo s PHE 74 Ca 0.34 0.75 0.00 0.00 0.12 0.00 0.00 56.93 58.14 2rlo s PHE 74 Cb 0.24 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.63 2rlo s PHE 74 CO 0.13 -4.39 0.00 0.41 -0.10 0.00 0.00 175.22 171.27 2rlo n GLY 75 N 0.69 -0.90 3.59 4.36 0.00 -1.26 -4.90 105.19 106.77 2rlo n GLY 75 Ca 0.09 -1.65 -0.51 0.00 0.00 0.00 0.00 46.02 43.95 2rlo n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rlo n PRO 76 N -0.45 1.50 -3.53 1.61 -0.02 -1.26 -4.92 135.00 127.93 2rlo n PRO 76 Ca 0.00 0.50 -0.27 0.00 -2.02 0.00 0.00 63.50 61.70 2rlo n PRO 76 Cb 0.00 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 30.89 2rlo n PRO 76 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2rlo s SER 77 N 5.46 2.41 0.19 2.55 0.01 -1.26 -4.94 113.70 118.12 2rlo s SER 77 Ca 1.01 -3.21 0.09 0.00 1.31 0.00 0.00 55.95 55.15 2rlo s SER 77 Cb -0.83 -0.75 0.03 0.00 0.21 0.00 0.00 66.02 64.69 2rlo s SER 77 CO 0.53 -0.16 1.42 0.00 0.41 0.00 0.00 173.24 175.44 2rlo h ALA 78 N 5.68 0.61 -5.01 1.44 0.00 -2.04 -3.49 119.26 116.44 2rlo h ALA 78 Ca 0.22 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2rlo h ALA 78 Cb 0.87 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2rlo h ALA 78 CO 0.46 1.01 -0.40 0.45 0.00 0.00 0.00 179.25 180.77 2rlo n SER 79 N -3.50 -7.24 -4.55 0.00 2.88 -1.26 -4.88 113.62 95.06 2rlo n SER 79 Ca -0.00 0.43 -0.41 0.00 -1.33 0.00 0.00 58.87 57.55 2rlo n SER 79 Cb 0.80 -4.88 -0.03 0.00 -0.75 0.00 0.00 64.21 59.35 2rlo n SER 79 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2rlo s GLY 80 N -2.46 0.98 -0.16 0.46 0.00 -1.26 -4.54 107.32 100.34 2rlo s GLY 80 Ca 0.20 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.20 2rlo s GLY 80 CO 0.68 2.66 0.23 1.44 0.00 0.00 0.00 173.10 178.10 2rlo n SER 81 N 9.24 -1.04 -3.39 1.64 7.64 -1.26 -5.02 113.62 121.43 2rlo n SER 81 Ca 0.11 1.35 -0.22 0.00 1.01 0.00 0.00 58.87 61.11 2rlo n SER 81 Cb 0.49 -5.13 0.16 0.00 -1.01 0.00 0.00 64.21 58.72 2rlo n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rlo n ALA 82 N 1.66 -1.38 -1.33 -0.43 0.00 -1.26 -5.09 120.51 112.69 2rlo n ALA 82 Ca -0.38 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 51.78 2rlo n ALA 82 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2rlo n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rlo n GLY 83 N -1.69 0.07 0.19 0.00 0.00 -1.26 -4.83 105.19 97.67 2rlo n GLY 83 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 2rlo n GLY 83 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2rlo h GLN 84 N 0.00 0.01 -3.21 1.61 4.20 -2.07 -3.46 115.11 112.18 2rlo h GLN 84 Ca 0.00 -0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 2rlo h GLN 84 Cb 0.00 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 2rlo h GLN 84 CO 0.00 0.38 -0.50 0.00 -0.67 0.00 0.00 178.83 178.04 2rlo n ALA 85 N -2.47 -0.68 -2.12 3.87 0.00 -1.26 -4.88 120.51 112.97 2rlo n ALA 85 Ca -0.02 0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.65 2rlo n ALA 85 Cb 0.41 -2.64 0.10 0.00 0.00 0.00 0.00 19.45 17.32 2rlo n ALA 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rlo n GLU 86 N -3.15 0.96 0.29 0.00 1.02 -1.26 -4.82 120.64 113.67 2rlo n GLU 86 Ca -0.17 -2.75 0.17 0.00 -0.02 0.00 0.00 57.16 54.39 2rlo n GLU 86 Cb 0.64 -0.89 0.96 0.00 -0.02 0.00 0.00 31.44 32.13 2rlo n GLU 86 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2rlo h GLU 87 N 1.16 0.00 -0.19 3.49 5.08 -2.02 0.37 114.58 122.47 2rlo h GLU 87 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2rlo h GLU 87 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2rlo h GLU 87 CO 0.10 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.26 2rlo n GLU 88 N -3.64 1.36 -1.59 2.33 0.00 -1.26 -4.87 120.64 112.97 2rlo n GLU 88 Ca -0.02 -0.53 -0.43 0.00 0.00 0.00 0.00 57.16 56.18 2rlo n GLU 88 Cb 0.15 -1.15 -0.03 0.00 0.00 0.00 0.00 31.44 30.41 2rlo n GLU 88 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2rlo n ASN 89 N -0.06 3.19 -4.34 -1.84 6.94 0.12 -4.92 115.26 114.34 2rlo n ASN 89 Ca 0.05 0.16 -0.44 0.00 -0.02 0.00 0.00 54.58 54.34 2rlo n ASN 89 Cb 0.14 -1.55 -0.08 0.00 -2.36 0.00 0.00 39.78 35.93 2rlo n ASN 89 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2rlo s PHE 90 N 8.54 3.27 -0.16 -2.53 0.40 -1.26 -5.03 117.98 121.21 2rlo s PHE 90 Ca 1.01 -1.17 -0.09 0.00 -0.60 0.00 0.00 56.93 56.09 2rlo s PHE 90 Cb -0.34 -3.26 0.06 0.00 0.51 0.00 0.00 43.02 39.99 2rlo s PHE 90 CO 0.35 -0.86 0.40 -1.21 0.70 0.00 0.00 175.22 174.60 2rlo s GLU 91 N 1.57 0.38 0.15 0.44 8.01 -1.26 -3.81 118.70 124.17 2rlo s GLU 91 Ca 0.04 0.77 0.08 0.00 0.01 0.00 0.00 54.97 55.87 2rlo s GLU 91 Cb -0.25 -0.03 -0.04 0.00 -4.31 0.00 0.00 34.13 29.50 2rlo s GLU 91 CO 0.05 -0.16 -0.19 -0.59 0.01 0.00 0.00 175.26 174.38 2rlo s PHE 92 N 1.40 1.83 0.03 1.61 -0.12 -0.72 -4.42 117.98 117.57 2rlo s PHE 92 Ca -0.10 -0.45 0.08 0.00 -0.05 0.00 0.00 56.93 56.41 2rlo s PHE 92 Cb -0.09 -0.94 -0.03 0.00 -0.63 0.00 0.00 43.02 41.34 2rlo s PHE 92 CO -0.12 0.30 -0.24 -0.51 -0.05 0.00 0.00 175.22 174.60 2rlo s LEU 93 N -2.45 2.28 -0.31 -1.99 1.43 0.22 -1.45 118.68 116.41 2rlo s LEU 93 Ca 0.13 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2rlo s LEU 93 Cb -0.07 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 44.84 2rlo s LEU 93 CO 0.06 0.28 0.03 -0.63 0.23 0.00 0.00 176.35 176.31 2rlo s ILE 94 N -0.79 3.05 -0.16 -0.59 -1.09 0.74 -2.11 121.20 120.25 2rlo s ILE 94 Ca 0.12 -1.46 -0.08 0.00 -2.23 0.00 0.00 60.65 57.00 2rlo s ILE 94 Cb -0.10 -2.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2rlo s ILE 94 CO 0.02 -0.18 0.10 -0.69 -1.23 0.00 0.00 174.94 172.96 2rlo s VAL 95 N 1.24 5.19 0.24 2.92 1.01 -0.32 0.33 120.40 131.01 2rlo s VAL 95 Ca -0.03 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.09 2rlo s VAL 95 Cb -0.20 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2rlo s VAL 95 CO -0.01 0.51 0.32 -1.54 0.00 0.00 0.00 175.10 174.38 2rlo n SER 96 N 2.94 0.88 -0.13 3.32 3.41 0.42 -0.02 113.62 124.42 2rlo n SER 96 Ca -0.18 -1.63 0.14 0.00 -0.26 0.00 0.00 58.87 56.94 2rlo n SER 96 Cb 0.53 -0.17 0.57 0.00 -0.26 0.00 0.00 64.21 64.88 2rlo n SER 96 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2rlo n SER 97 N -2.71 0.56 -1.20 4.04 7.64 -1.22 -3.55 113.62 117.18 2rlo n SER 97 Ca 0.07 -0.60 0.03 0.00 1.01 0.00 0.00 58.87 59.37 2rlo n SER 97 Cb 0.24 -0.04 0.26 0.00 -1.01 0.00 0.00 64.21 63.67 2rlo n SER 97 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2rlo n THR 98 N -0.92 2.49 0.00 0.44 5.66 -1.26 -4.93 114.28 115.76 2rlo n THR 98 Ca 0.14 -1.99 0.00 0.00 -3.05 0.00 0.00 64.05 59.14 2rlo n THR 98 Cb 0.29 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2rlo n THR 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2rlo n GLY 99 N -0.53 3.00 3.70 1.09 0.00 -1.23 -4.98 105.19 106.23 2rlo n GLY 99 Ca 0.28 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 2rlo n GLY 99 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rlo n GLN 100 N -2.00 2.41 -3.86 1.61 -0.06 -1.26 -4.74 117.38 109.48 2rlo n GLN 100 Ca 0.00 0.86 -0.28 0.00 -2.00 0.00 0.00 57.00 55.59 2rlo n GLN 100 Cb 0.00 -2.63 -0.17 0.00 -4.06 0.00 0.00 30.24 23.38 2rlo n GLN 100 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2rlo s THR 101 N 0.56 0.96 -0.51 1.69 2.01 -1.26 -0.44 115.64 118.66 2rlo s THR 101 Ca 0.72 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 2rlo s THR 101 Cb -0.59 -1.18 0.06 0.00 0.01 0.00 0.00 72.50 70.80 2rlo s THR 101 CO 0.41 0.09 0.64 0.26 -0.69 0.00 0.00 174.62 175.34 2rlo s TRP 102 N 1.69 3.03 -0.32 4.92 0.52 0.15 -4.85 118.94 124.08 2rlo s TRP 102 Ca 0.01 -0.49 -0.17 0.00 0.02 0.00 0.00 56.10 55.47 2rlo s TRP 102 Cb -0.15 -3.56 -0.01 0.00 -1.15 0.00 0.00 33.47 28.59 2rlo s TRP 102 CO -0.07 -1.05 0.45 -1.58 0.02 0.00 0.00 176.95 174.72 2rlo s HIS 103 N 2.72 3.21 0.23 -1.98 2.46 -1.26 -0.18 115.29 120.48 2rlo s HIS 103 Ca 0.16 0.22 0.09 0.00 0.47 0.00 0.00 55.06 56.00 2rlo s HIS 103 Cb -0.19 -2.77 -0.05 0.00 -0.13 0.00 0.00 32.58 29.44 2rlo s HIS 103 CO 0.13 -0.42 -0.15 -0.06 -2.47 0.00 0.00 174.74 171.77 2rlo s PHE 104 N 2.23 1.89 -0.25 3.88 0.08 -0.53 -4.39 117.98 120.89 2rlo s PHE 104 Ca 0.16 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.68 2rlo s PHE 104 Cb -0.16 -0.89 0.07 0.00 -0.57 0.00 0.00 43.02 41.47 2rlo s PHE 104 CO 0.12 0.44 -0.00 -2.00 -0.10 0.00 0.00 175.22 173.67 2rlo s GLU 105 N -3.62 1.29 0.14 0.44 -6.30 -0.31 -1.76 118.70 108.58 2rlo s GLU 105 Ca 0.25 -0.99 -0.34 0.00 -2.50 0.00 0.00 54.97 51.39 2rlo s GLU 105 Cb -0.01 -2.47 -0.14 0.00 0.00 0.00 0.00 34.13 31.52 2rlo s GLU 105 CO 0.09 -0.70 1.61 0.00 0.02 0.00 0.00 175.26 176.28 2rlo n ALA 106 N 4.72 1.33 0.13 6.30 0.00 -1.25 -2.21 120.51 129.54 2rlo n ALA 106 Ca -0.08 0.43 0.04 0.00 0.00 0.00 0.00 53.44 53.82 2rlo n ALA 106 Cb 0.44 -2.37 0.45 0.00 0.00 0.00 0.00 19.45 17.97 2rlo n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rlo h ALA 107 N 6.29 1.66 -2.93 0.00 0.00 -1.94 -3.43 119.26 118.90 2rlo h ALA 107 Ca -0.45 -0.13 -0.63 0.00 0.00 0.00 0.00 54.91 53.69 2rlo h ALA 107 Cb 1.25 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 2rlo h ALA 107 CO 0.90 0.26 -0.77 -1.12 0.00 0.00 0.00 179.25 178.51 2rlo s SER 108 N -6.89 3.76 0.09 0.00 0.01 -1.26 -5.05 113.70 104.35 2rlo s SER 108 Ca -0.06 -0.80 -0.18 0.00 1.31 0.00 0.00 55.95 56.22 2rlo s SER 108 Cb 0.16 -0.43 -0.08 0.00 0.21 0.00 0.00 66.02 65.88 2rlo s SER 108 CO 0.72 0.10 1.53 -0.26 0.41 0.00 0.00 173.24 175.73 2rlo h PHE 109 N 2.90 0.48 -0.17 2.43 -1.00 -1.99 -2.44 116.94 117.14 2rlo h PHE 109 Ca -0.45 -0.08 -0.08 0.00 2.81 0.00 0.00 57.97 60.17 2rlo h PHE 109 Cb 1.22 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.64 2rlo h PHE 109 CO 0.70 0.59 -0.23 0.93 -1.61 0.00 0.00 178.31 178.69 2rlo h GLU 110 N 0.22 0.31 -0.28 1.51 3.07 -1.97 -2.74 114.58 114.70 2rlo h GLU 110 Ca 0.07 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 2rlo h GLU 110 Cb 0.40 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 2rlo h GLU 110 CO 0.01 0.53 -0.18 1.49 -1.40 0.00 0.00 179.01 179.46 2rlo h GLU 111 N 0.28 0.51 -0.22 2.33 4.57 -1.92 -2.36 114.58 117.77 2rlo h GLU 111 Ca 0.05 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.09 2rlo h GLU 111 Cb 0.57 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 2rlo h GLU 111 CO 0.04 0.67 0.00 -0.09 -1.18 0.00 0.00 179.01 178.45 2rlo h ARG 112 N 0.46 0.07 -0.38 1.92 1.12 -1.11 0.03 114.38 116.49 2rlo h ARG 112 Ca 0.08 -0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.84 2rlo h ARG 112 Cb 0.58 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.51 2rlo h ARG 112 CO 0.04 0.05 -0.15 -0.44 -3.11 0.00 0.00 179.97 176.35 2rlo h ASP 113 N 0.07 0.79 0.02 -3.80 3.32 -1.59 -1.69 116.42 113.54 2rlo h ASP 113 Ca 0.10 -0.39 0.03 0.00 0.02 0.00 0.00 57.03 56.79 2rlo h ASP 113 Cb 0.13 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 2rlo h ASP 113 CO -0.17 1.00 -0.21 0.00 -1.72 0.00 0.00 179.24 178.14 2rlo h ALA 114 N 0.81 -0.29 0.20 3.45 0.00 -1.08 0.48 119.26 122.84 2rlo h ALA 114 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2rlo h ALA 114 Cb 0.69 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2rlo h ALA 114 CO 0.05 -0.72 -0.19 -1.49 0.00 0.00 0.00 179.25 176.91 2rlo h TRP 115 N -0.35 -0.49 -0.63 0.00 4.06 -0.98 1.16 115.95 118.72 2rlo h TRP 115 Ca 0.06 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.12 2rlo h TRP 115 Cb 0.42 0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.73 2rlo h TRP 115 CO -0.25 -0.28 0.42 0.28 -3.56 0.00 0.00 178.44 175.05 2rlo h VAL 116 N -0.42 0.87 0.00 1.49 2.07 -1.01 0.23 116.25 119.48 2rlo h VAL 116 Ca -0.00 -0.13 -0.20 0.00 0.82 0.00 0.00 66.70 67.18 2rlo h VAL 116 Cb 0.38 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2rlo h VAL 116 CO -0.04 0.07 -0.96 1.56 0.02 0.00 0.00 177.57 178.23 2rlo h GLN 117 N 0.38 0.00 -0.13 1.57 4.20 0.94 -2.39 115.11 119.69 2rlo h GLN 117 Ca 0.29 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 2rlo h GLN 117 Cb 0.63 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 2rlo h GLN 117 CO -0.08 0.95 -0.08 0.00 -0.67 0.00 0.00 178.83 178.96 2rlo h ALA 118 N 1.04 0.18 -0.22 3.87 0.00 0.43 0.48 119.26 125.04 2rlo h ALA 118 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2rlo h ALA 118 Cb 1.74 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2rlo h ALA 118 CO 0.12 -0.01 0.01 0.82 0.00 0.00 0.00 179.25 180.19 2rlo h ILE 119 N -0.08 1.25 -0.17 0.00 5.03 -0.84 0.63 117.51 123.32 2rlo h ILE 119 Ca 0.03 -0.86 -0.08 0.00 -0.12 0.00 0.00 64.86 63.83 2rlo h ILE 119 Cb 0.56 1.38 -0.01 0.00 -3.03 0.00 0.00 36.82 35.71 2rlo h ILE 119 CO 0.02 0.27 -0.24 -0.33 -0.68 0.00 0.00 178.15 177.19 2rlo h GLU 120 N 0.16 0.31 -0.19 2.37 4.39 -1.44 -1.64 114.58 118.55 2rlo h GLU 120 Ca 0.06 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 2rlo h GLU 120 Cb 0.39 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2rlo h GLU 120 CO 0.01 0.53 -0.10 1.03 -1.16 0.00 0.00 179.01 179.33 2rlo h SER 121 N 0.28 0.41 -0.24 1.42 0.87 0.23 0.06 113.55 116.58 2rlo h SER 121 Ca 0.05 -0.42 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 2rlo h SER 121 Cb 0.58 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2rlo h SER 121 CO 0.04 0.73 0.06 1.56 -0.53 0.00 0.00 176.83 178.69 2rlo h GLN 122 N 0.08 0.48 -0.05 2.24 7.50 -0.68 -0.77 115.11 123.90 2rlo h GLN 122 Ca 0.04 -0.08 -0.20 0.00 0.50 0.00 0.00 58.65 58.92 2rlo h GLN 122 Cb 0.58 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.03 2rlo h GLN 122 CO 0.03 0.46 -0.80 0.82 -1.50 0.00 0.00 178.83 177.84 2rlo h ILE 123 N 0.47 1.39 -0.32 2.54 2.04 -1.14 -1.60 117.51 120.89 2rlo h ILE 123 Ca 0.11 -2.25 -0.13 0.00 1.00 0.00 0.00 64.86 63.60 2rlo h ILE 123 Cb 0.22 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2rlo h ILE 123 CO -0.00 0.67 -0.33 0.25 0.00 0.00 0.00 178.15 178.75 2rlo h LEU 124 N 0.26 0.72 -0.31 1.44 5.85 -0.33 0.17 115.31 123.11 2rlo h LEU 124 Ca -0.04 -0.29 -0.19 0.00 0.84 0.00 0.00 57.88 58.20 2rlo h LEU 124 Cb 1.39 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2rlo h LEU 124 CO 0.14 0.99 -0.86 0.00 -0.34 0.00 0.00 178.44 178.37 2rlo h ALA 125 N 1.05 0.57 0.00 1.25 0.00 -1.14 -3.23 119.26 117.77 2rlo h ALA 125 Ca 0.06 -0.74 -0.22 0.00 0.00 0.00 0.00 54.91 54.02 2rlo h ALA 125 Cb 0.84 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2rlo h ALA 125 CO 0.07 0.97 -1.06 0.77 0.00 0.00 0.00 179.25 180.00 2rlo h SER 126 N 0.05 0.01 -0.09 0.00 0.02 -1.15 -3.25 113.55 109.15 2rlo h SER 126 Ca -0.03 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2rlo h SER 126 Cb 1.49 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 2rlo h SER 126 CO 0.12 1.01 0.06 -0.07 -1.14 0.00 0.00 176.83 176.81 2rlo h LEU 127 N 0.00 0.08 -0.17 5.07 -0.00 -0.67 -3.49 115.31 116.13 2rlo h LEU 127 Ca -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2rlo h LEU 127 Cb 1.79 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.43 2rlo h LEU 127 CO 0.13 0.06 0.00 0.00 -0.00 0.00 0.00 178.44 178.62