#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 1.92 -0.07 5.13 0.00 -1.26 -5.08 121.76 122.40 2rlo s ALA 2 Ca 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.57 2rlo s ALA 2 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.07 2rlo s ALA 2 CO 0.00 -2.11 -0.13 0.42 0.00 0.00 0.00 175.76 173.94 2rlo s ILE 3 N -3.23 1.19 0.15 0.00 -1.09 -1.26 -4.89 121.20 112.06 2rlo s ILE 3 Ca 0.63 -0.51 -0.31 0.00 -2.23 0.00 0.00 60.65 58.23 2rlo s ILE 3 Cb -0.15 -1.08 -0.11 0.00 -1.58 0.00 0.00 42.46 39.55 2rlo s ILE 3 CO 0.54 0.37 1.80 -2.84 -1.23 0.00 0.00 174.94 173.57 2rlo s PRO 4 N 0.64 4.13 0.14 2.79 0.02 -1.26 -1.38 135.00 140.07 2rlo s PRO 4 Ca -0.15 2.61 0.22 0.00 0.02 0.00 0.00 61.00 63.70 2rlo s PRO 4 Cb -0.16 -3.42 -0.09 0.00 0.02 0.00 0.00 34.50 30.86 2rlo s PRO 4 CO 0.04 -0.81 0.90 -0.89 -0.33 0.00 0.00 177.00 175.90 2rlo n ILE 5 N 4.49 0.44 -3.15 2.83 -0.00 0.65 -4.89 119.36 119.73 2rlo n ILE 5 Ca 0.17 -0.52 0.06 0.00 -0.00 0.00 0.00 62.75 62.46 2rlo n ILE 5 Cb 0.37 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.64 39.77 2rlo n ILE 5 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2rlo s LYS 6 N -3.40 0.08 -0.19 0.38 2.47 -0.91 -4.88 119.74 113.30 2rlo s LYS 6 Ca -0.02 0.14 -0.01 0.00 -1.56 0.00 0.00 55.97 54.52 2rlo s LYS 6 Cb 0.11 0.08 0.05 0.00 -1.46 0.00 0.00 37.83 36.61 2rlo s LYS 6 CO 0.82 -0.08 -0.02 1.14 0.16 0.00 0.00 175.35 177.37 2rlo s GLN 7 N 2.95 1.13 0.15 4.03 -2.07 -1.26 0.94 119.66 125.53 2rlo s GLN 7 Ca -0.07 -0.56 -0.10 0.00 -1.82 0.00 0.00 55.36 52.81 2rlo s GLN 7 Cb -0.09 -2.14 0.04 0.00 -1.09 0.00 0.00 33.01 29.73 2rlo s GLN 7 CO -0.08 -0.55 0.48 -1.13 -1.32 0.00 0.00 175.29 172.69 2rlo n SER 8 N 4.91 -1.05 -4.71 12.60 3.41 0.11 -4.98 113.62 123.91 2rlo n SER 8 Ca -0.10 -1.64 -0.40 0.00 -0.26 0.00 0.00 58.87 56.46 2rlo n SER 8 Cb 0.47 1.73 -0.05 0.00 -0.26 0.00 0.00 64.21 66.10 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2rlo s PHE 9 N -4.65 3.54 0.20 7.33 0.08 -1.26 -0.77 117.98 122.46 2rlo s PHE 9 Ca 0.10 1.20 0.11 0.00 0.12 0.00 0.00 56.93 58.47 2rlo s PHE 9 Cb -0.02 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.57 2rlo s PHE 9 CO 0.04 0.03 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.46 2rlo s LEU 10 N 1.04 2.46 0.00 -0.37 1.02 -0.47 -4.22 118.68 118.14 2rlo s LEU 10 Ca 0.36 -0.89 -0.19 0.00 0.02 0.00 0.00 54.13 53.43 2rlo s LEU 10 Cb -0.17 -1.12 -0.06 0.00 0.02 0.00 0.00 46.19 44.86 2rlo s LEU 10 CO 0.16 0.09 0.53 -0.22 0.02 0.00 0.00 176.35 176.94 2rlo s LEU 11 N -2.81 4.44 -0.21 1.79 2.96 -0.97 0.14 118.68 124.02 2rlo s LEU 11 Ca 0.22 1.10 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 2rlo s LEU 11 Cb -0.07 -2.81 0.04 0.00 0.50 0.00 0.00 46.19 43.85 2rlo s LEU 11 CO 0.10 0.18 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.45 2rlo s LYS 12 N -0.51 2.17 0.58 1.98 2.47 -0.46 -0.93 119.74 125.05 2rlo s LYS 12 Ca 0.28 -0.93 -0.20 0.00 -1.56 0.00 0.00 55.97 53.56 2rlo s LYS 12 Cb -0.18 -2.52 -0.03 0.00 -1.46 0.00 0.00 37.83 33.64 2rlo s LYS 12 CO 0.16 -0.43 1.31 -0.98 0.16 0.00 0.00 175.35 175.57 2rlo s ARG 13 N 1.33 2.94 -0.08 4.03 1.70 -1.26 -1.25 118.95 126.37 2rlo s ARG 13 Ca -0.02 2.11 -0.07 0.00 -0.47 0.00 0.00 55.73 57.28 2rlo s ARG 13 Cb -0.17 -2.08 -0.02 0.00 -0.57 0.00 0.00 34.95 32.11 2rlo s ARG 13 CO -0.08 -1.31 -0.15 0.45 -1.08 0.00 0.00 175.30 173.13 2rlo n SER 14 N -1.38 0.87 0.00 -2.89 2.88 0.31 -4.89 113.62 108.52 2rlo n SER 14 Ca 0.13 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2rlo n SER 14 Cb 0.47 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 2rlo n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rlo n GLY 15 N 1.52 2.14 2.18 0.46 0.00 -1.26 -5.04 105.19 105.18 2rlo n GLY 15 Ca -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2rlo n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rlo n ASN 16 N 0.00 -9.00 0.09 1.61 4.13 -1.26 -4.17 115.26 106.65 2rlo n ASN 16 Ca 0.00 1.60 -0.15 0.00 1.68 0.00 0.00 54.58 57.71 2rlo n ASN 16 Cb 0.00 -4.96 -0.14 0.00 -1.54 0.00 0.00 39.78 33.14 2rlo n ASN 16 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2rlo h SER 17 N 4.08 0.38 0.01 6.41 0.87 -2.00 -3.26 113.55 120.03 2rlo h SER 17 Ca 0.00 -0.43 -0.05 0.00 -1.23 0.00 0.00 61.79 60.08 2rlo h SER 17 Cb 0.00 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2rlo h SER 17 CO 0.00 1.34 -0.13 0.25 -0.53 0.00 0.00 176.83 177.76 2rlo h LEU 18 N 0.07 0.25 -6.52 2.23 5.85 -2.08 -3.40 115.31 111.70 2rlo h LEU 18 Ca -0.15 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.32 2rlo h LEU 18 Cb 1.97 -0.07 -0.31 0.00 0.37 0.00 0.00 40.66 42.62 2rlo h LEU 18 CO 0.19 0.41 -0.52 0.21 -0.34 0.00 0.00 178.44 178.38 2rlo s ASN 19 N -6.87 0.58 1.37 1.25 3.84 -1.24 -5.16 114.94 108.72 2rlo s ASN 19 Ca -0.06 0.03 -0.20 0.00 0.21 0.00 0.00 52.86 52.84 2rlo s ASN 19 Cb 0.15 0.92 0.35 0.00 -0.55 0.00 0.00 41.25 42.12 2rlo s ASN 19 CO 0.74 -0.31 0.88 0.29 -2.79 0.00 0.00 177.10 175.90 2rlo n LYS 20 N 5.35 -4.01 -3.13 0.43 4.76 -1.23 -4.55 118.16 115.78 2rlo n LYS 20 Ca -0.04 -1.18 0.04 0.00 -2.87 0.00 0.00 58.31 54.27 2rlo n LYS 20 Cb 0.50 -1.98 -0.00 0.00 -1.84 0.00 0.00 35.03 31.71 2rlo n LYS 20 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2rlo s GLU 21 N -4.75 0.33 -0.06 1.97 2.12 -1.26 -4.98 118.70 112.08 2rlo s GLU 21 Ca 0.67 0.26 -0.03 0.00 0.36 0.00 0.00 54.97 56.23 2rlo s GLU 21 Cb -0.17 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.32 2rlo s GLU 21 CO 0.59 -0.60 0.11 -1.58 -0.54 0.00 0.00 175.26 173.24 2rlo s TRP 22 N 2.80 3.43 0.29 5.30 0.52 -1.26 0.11 118.94 130.13 2rlo s TRP 22 Ca 0.20 0.34 0.11 0.00 0.02 0.00 0.00 56.10 56.77 2rlo s TRP 22 Cb -0.05 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.39 2rlo s TRP 22 CO -0.23 0.62 -0.09 0.15 0.02 0.00 0.00 176.95 177.42 2rlo s LYS 23 N -1.42 1.96 -0.07 4.98 1.02 -0.38 -4.76 119.74 121.07 2rlo s LYS 23 Ca 0.20 -1.66 -0.29 0.00 0.02 0.00 0.00 55.97 54.23 2rlo s LYS 23 Cb -0.12 -1.92 -0.06 0.00 -0.52 0.00 0.00 37.83 35.20 2rlo s LYS 23 CO 0.10 0.30 1.89 0.15 -0.92 0.00 0.00 175.35 176.87 2rlo s LYS 24 N -3.60 3.91 0.51 1.68 -0.14 -1.26 -1.36 119.74 119.48 2rlo s LYS 24 Ca 0.31 2.27 0.02 0.00 -1.36 0.00 0.00 55.97 57.21 2rlo s LYS 24 Cb -0.04 -4.14 -0.01 0.00 -1.68 0.00 0.00 37.83 31.96 2rlo s LYS 24 CO 0.17 -1.19 0.05 0.21 -0.76 0.00 0.00 175.35 173.83 2rlo s LYS 25 N 4.74 2.20 -0.04 1.68 2.47 0.37 -4.52 119.74 126.64 2rlo s LYS 25 Ca 0.85 -2.35 0.00 0.00 -1.56 0.00 0.00 55.97 52.91 2rlo s LYS 25 Cb -0.36 -1.61 0.02 0.00 -1.46 0.00 0.00 37.83 34.43 2rlo s LYS 25 CO 0.36 -0.39 -0.02 -0.47 0.16 0.00 0.00 175.35 174.99 2rlo s TYR 26 N -2.86 0.58 0.02 4.03 6.14 -0.67 -1.37 117.35 123.21 2rlo s TYR 26 Ca 0.10 -0.12 0.01 0.00 0.64 0.00 0.00 57.07 57.70 2rlo s TYR 26 Cb 0.01 -0.60 -0.01 0.00 0.42 0.00 0.00 41.96 41.78 2rlo s TYR 26 CO 0.05 -0.19 -0.05 0.08 0.64 0.00 0.00 175.55 176.08 2rlo s VAL 27 N 1.16 0.38 -0.14 3.14 1.01 0.05 0.49 120.40 126.49 2rlo s VAL 27 Ca -0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2rlo s VAL 27 Cb -0.14 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 35.90 2rlo s VAL 27 CO -0.01 -0.13 0.07 -0.89 0.00 0.00 0.00 175.10 174.13 2rlo s THR 28 N -0.68 0.04 -0.36 3.92 2.01 0.93 -0.72 115.64 120.78 2rlo s THR 28 Ca -0.04 -0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.65 2rlo s THR 28 Cb -0.05 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.90 2rlo s THR 28 CO -0.00 -0.14 0.70 -0.22 -0.69 0.00 0.00 174.62 174.27 2rlo s LEU 29 N 2.09 4.20 0.29 4.42 1.98 0.27 -2.30 118.68 129.62 2rlo s LEU 29 Ca 0.02 0.23 0.06 0.00 -2.89 0.00 0.00 54.13 51.56 2rlo s LEU 29 Cb -0.15 -2.89 -0.03 0.00 0.66 0.00 0.00 46.19 43.78 2rlo s LEU 29 CO -0.07 -0.66 0.33 -0.55 -1.89 0.00 0.00 176.35 173.51 2rlo s SER 30 N 1.82 5.82 0.00 3.68 0.15 -1.15 0.24 113.70 124.25 2rlo s SER 30 Ca 0.27 -0.19 0.18 0.00 0.70 0.00 0.00 55.95 56.91 2rlo s SER 30 Cb -0.14 -1.41 1.06 0.00 -1.71 0.00 0.00 66.02 63.82 2rlo s SER 30 CO 0.16 -0.21 1.63 -0.24 1.20 0.00 0.00 173.24 175.78 2rlo n SER 31 N -1.40 0.00 -1.57 5.45 2.88 -0.48 -3.53 113.62 114.97 2rlo n SER 31 Ca -0.05 -1.29 -0.07 0.00 -1.33 0.00 0.00 58.87 56.13 2rlo n SER 31 Cb 0.58 0.00 0.16 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 -0.80 3.59 -3.92 -3.46 2.85 -1.26 -4.85 115.26 107.41 2rlo n ASN 32 Ca 0.13 -2.79 -0.30 0.00 -0.11 0.00 0.00 54.58 51.51 2rlo n ASN 32 Cb 0.06 -0.67 0.02 0.00 1.24 0.00 0.00 39.78 40.44 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rlo n GLY 33 N -0.14 -0.48 2.71 8.20 0.00 -1.23 -4.96 105.19 109.28 2rlo n GLY 33 Ca 0.28 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.32 0.07 -0.32 1.61 2.19 -1.26 -1.98 117.98 114.98 2rlo s PHE 34 Ca 0.63 0.20 -0.13 0.00 0.33 0.00 0.00 56.93 57.97 2rlo s PHE 34 Cb -0.32 -0.41 -0.03 0.00 -1.31 0.00 0.00 43.02 40.96 2rlo s PHE 34 CO 0.83 -0.16 0.26 -1.17 1.83 0.00 0.00 175.22 176.82 2rlo s LEU 35 N 1.79 4.32 0.03 6.12 2.96 -0.93 -2.95 118.68 130.02 2rlo s LEU 35 Ca 0.00 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 2rlo s LEU 35 Cb -0.12 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 2rlo s LEU 35 CO -0.03 -0.20 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.95 2rlo s LEU 36 N 1.83 3.03 -0.21 -0.68 1.43 -0.97 0.00 118.68 123.10 2rlo s LEU 36 Ca 0.08 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 2rlo s LEU 36 Cb -0.17 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.35 2rlo s LEU 36 CO 0.11 0.25 0.53 -0.72 0.23 0.00 0.00 176.35 176.75 2rlo s TYR 37 N -1.04 -0.74 0.29 0.29 1.13 0.99 -0.05 117.35 118.22 2rlo s TYR 37 Ca 0.18 1.59 0.11 0.00 -1.41 0.00 0.00 57.07 57.55 2rlo s TYR 37 Cb -0.11 0.36 -0.05 0.00 -1.10 0.00 0.00 41.96 41.06 2rlo s TYR 37 CO 0.09 -0.39 -0.18 -1.01 -2.51 0.00 0.00 175.55 171.55 2rlo s HIS 38 N 1.18 2.28 0.56 -3.49 0.09 0.18 -1.63 115.29 114.47 2rlo s HIS 38 Ca -0.07 -0.37 0.29 0.00 -0.00 0.00 0.00 55.06 54.91 2rlo s HIS 38 Cb -0.06 -1.04 1.47 0.00 -0.00 0.00 0.00 32.58 32.95 2rlo s HIS 38 CO -0.11 0.68 1.91 -1.35 -0.00 0.00 0.00 174.74 175.87 2rlo h PRO 39 N 2.25 0.00 0.00 8.40 0.11 -1.85 -1.79 132.00 139.11 2rlo h PRO 39 Ca -0.40 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.83 2rlo h PRO 39 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2rlo h PRO 39 CO 0.62 0.00 0.36 0.45 -0.21 0.00 0.00 178.00 179.21 2rlo n SER 40 N -3.98 -0.72 -0.08 -2.05 2.88 -1.26 -4.33 113.62 104.08 2rlo n SER 40 Ca 0.11 -1.29 -0.10 0.00 -1.33 0.00 0.00 58.87 56.26 2rlo n SER 40 Cb 0.74 1.14 -0.03 0.00 -0.75 0.00 0.00 64.21 65.31 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 1.48 1.19 -0.68 2.46 5.03 -1.88 -2.17 117.51 122.94 2rlo h ILE 41 Ca -0.12 -0.60 0.20 0.00 -0.12 0.00 0.00 64.86 64.22 2rlo h ILE 41 Cb 0.57 1.10 -0.03 0.00 -3.03 0.00 0.00 36.82 35.43 2rlo h ILE 41 CO 0.16 0.20 0.56 0.78 -0.68 0.00 0.00 178.15 179.17 2rlo h ASN 42 N 0.26 0.00 0.06 1.72 2.35 -1.98 0.33 115.58 118.32 2rlo h ASN 42 Ca 0.09 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.55 2rlo h ASN 42 Cb 0.22 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.62 2rlo h ASN 42 CO -0.00 0.00 -1.13 0.44 -1.65 0.00 0.00 177.43 175.08 2rlo h ASP 43 N 0.00 0.90 0.06 5.81 5.19 -1.72 -1.77 116.42 124.88 2rlo h ASP 43 Ca 0.32 -0.78 -0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2rlo h ASP 43 Cb 1.44 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2rlo h ASP 43 CO -0.00 1.57 -0.03 0.22 -3.12 0.00 0.00 179.24 177.88 2rlo h TYR 44 N 0.33 -0.07 0.69 4.55 3.20 -0.22 0.98 116.97 126.43 2rlo h TYR 44 Ca -0.16 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 2rlo h TYR 44 Cb 1.80 0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.09 2rlo h TYR 44 CO 0.11 0.41 -0.39 0.82 -1.64 0.00 0.00 178.16 177.47 2rlo h ILE 45 N -0.60 0.00 0.00 1.81 2.04 -0.65 -3.11 117.51 117.00 2rlo h ILE 45 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2rlo h ILE 45 Cb 0.52 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2rlo h ILE 45 CO 0.01 0.00 -0.31 0.45 0.00 0.00 0.00 178.15 178.30 2rlo h HIS 46 N -1.00 0.00 -3.20 1.37 3.86 -1.45 -3.49 115.15 111.24 2rlo h HIS 46 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2rlo h HIS 46 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 2rlo h HIS 46 CO -0.03 0.31 -0.02 -1.13 0.86 0.00 0.00 177.93 177.92 2rlo n SER 47 N -3.39 -2.52 -4.14 2.45 3.41 0.30 -5.02 113.62 104.71 2rlo n SER 47 Ca 0.00 0.02 -0.33 0.00 -0.26 0.00 0.00 58.87 58.30 2rlo n SER 47 Cb 0.51 -1.38 -0.15 0.00 -0.26 0.00 0.00 64.21 62.93 2rlo n SER 47 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2rlo s THR 48 N -2.08 2.34 0.00 6.66 -4.23 0.12 -4.83 115.64 113.62 2rlo s THR 48 Ca 0.01 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2rlo s THR 48 Cb -0.00 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2rlo s THR 48 CO 0.07 0.37 0.00 1.41 -0.54 0.00 0.00 174.62 175.92 2rlo n HIS 49 N 4.61 0.00 -3.00 3.99 8.25 -1.26 -4.74 115.22 123.07 2rlo n HIS 49 Ca -0.19 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2rlo n HIS 49 Cb 0.48 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.72 3.73 -1.41 0.00 -1.26 -4.91 105.19 99.62 2rlo n GLY 50 Ca 0.00 0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.14 4.53 -0.04 1.61 -0.14 -0.65 -4.92 119.74 118.99 2rlo s LYS 51 Ca -0.01 1.15 0.02 0.00 -1.36 0.00 0.00 55.97 55.76 2rlo s LYS 51 Cb 0.00 -3.40 0.01 0.00 -1.68 0.00 0.00 37.83 32.76 2rlo s LYS 51 CO 0.30 0.17 -0.08 -1.83 -0.76 0.00 0.00 175.35 173.15 2rlo s GLU 52 N 0.32 1.00 -0.21 1.68 1.03 -1.26 -0.00 118.70 121.26 2rlo s GLU 52 Ca 0.42 -0.25 -0.02 0.00 0.03 0.00 0.00 54.97 55.15 2rlo s GLU 52 Cb -0.20 -0.93 0.01 0.00 -0.80 0.00 0.00 34.13 32.20 2rlo s GLU 52 CO 0.24 0.04 -0.10 1.41 -1.33 0.00 0.00 175.26 175.52 2rlo s MET 53 N 0.47 3.13 0.19 -4.83 -2.45 0.10 -4.96 119.30 110.96 2rlo s MET 53 Ca -0.07 -0.77 -0.33 0.00 -1.25 0.00 0.00 55.69 53.27 2rlo s MET 53 Cb -0.11 -2.86 -0.13 0.00 1.25 0.00 0.00 34.83 32.97 2rlo s MET 53 CO 0.01 -0.24 1.59 -3.47 1.05 0.00 0.00 175.02 173.96 2rlo n ASP 54 N 4.71 3.30 -2.17 1.11 -0.08 -1.26 -2.19 116.55 119.97 2rlo n ASP 54 Ca -0.19 1.09 -0.25 0.00 -1.51 0.00 0.00 54.79 53.93 2rlo n ASP 54 Cb 0.50 -1.47 0.13 0.00 2.34 0.00 0.00 41.12 42.62 2rlo n ASP 54 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2rlo n LEU 55 N 3.33 6.80 -0.08 -2.67 4.77 -0.84 -4.38 117.00 123.94 2rlo n LEU 55 Ca 0.16 -3.67 -0.14 0.00 -0.03 0.00 0.00 56.01 52.32 2rlo n LEU 55 Cb 0.31 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.42 2rlo n LEU 55 CO 0.63 1.15 0.07 0.25 -1.33 0.00 0.00 177.39 178.16 2rlo h LEU 56 N 1.37 0.00 -4.79 2.23 5.85 -1.89 -3.25 115.31 114.83 2rlo h LEU 56 Ca 0.58 -0.72 -0.43 0.00 0.84 0.00 0.00 57.88 58.15 2rlo h LEU 56 Cb 2.08 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 42.70 2rlo h LEU 56 CO 1.17 1.07 -1.00 0.54 -0.34 0.00 0.00 178.44 179.88 2rlo n ARG 57 N -4.58 2.20 -2.78 1.25 1.74 -1.26 -4.62 116.66 108.60 2rlo n ARG 57 Ca -0.15 -3.77 -0.26 0.00 -0.77 0.00 0.00 57.85 52.90 2rlo n ARG 57 Cb 0.47 -1.72 0.01 0.00 -1.02 0.00 0.00 32.46 30.20 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 -4.12 4.49 0.34 0.55 -4.23 -1.26 -3.99 115.64 107.41 2rlo s THR 58 Ca 0.36 -0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2rlo s THR 58 Cb 0.41 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.51 2rlo s THR 58 CO -0.04 -0.61 0.08 -0.89 -0.54 0.00 0.00 174.62 172.62 2rlo s THR 59 N -2.69 0.92 -0.11 3.99 2.01 0.12 -4.95 115.64 114.92 2rlo s THR 59 Ca 0.48 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.48 2rlo s THR 59 Cb -0.10 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.78 2rlo s THR 59 CO 0.42 0.00 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.54 2rlo s VAL 60 N -3.36 1.32 0.06 3.82 1.01 -1.26 -1.48 120.40 120.51 2rlo s VAL 60 Ca 0.33 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2rlo s VAL 60 Cb 0.07 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2rlo s VAL 60 CO 0.15 0.41 -0.07 -0.54 0.00 0.00 0.00 175.10 175.05 2rlo s LYS 61 N 1.29 2.39 -0.10 2.72 1.02 -0.90 -4.93 119.74 121.23 2rlo s LYS 61 Ca -0.01 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.12 2rlo s LYS 61 Cb -0.14 -2.43 0.02 0.00 -0.52 0.00 0.00 37.83 34.76 2rlo s LYS 61 CO -0.05 0.55 -0.09 0.08 -0.92 0.00 0.00 175.35 174.92 2rlo s VAL 62 N -1.13 1.10 -1.03 3.17 1.01 -1.26 -0.22 120.40 122.04 2rlo s VAL 62 Ca 0.20 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 2rlo s VAL 62 Cb -0.11 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 2rlo s VAL 62 CO 0.12 0.37 2.21 -0.81 0.00 0.00 0.00 175.10 176.99 2rlo n PRO 63 N 4.63 2.26 0.00 2.72 -0.04 -1.26 -4.51 135.00 138.81 2rlo n PRO 63 Ca -0.16 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 2rlo n PRO 63 Cb 0.50 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 3.91 1.86 3.49 0.55 0.00 -1.26 -5.03 105.19 108.70 2rlo n GLY 64 Ca 0.51 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.52 -1.16 0.63 1.61 -0.14 -1.26 -4.74 119.74 112.15 2rlo s LYS 65 Ca 0.00 0.59 0.00 0.00 -1.36 0.00 0.00 55.97 55.20 2rlo s LYS 65 Cb 0.00 -1.55 0.00 0.00 -1.68 0.00 0.00 37.83 34.60 2rlo s LYS 65 CO 0.00 -3.82 0.00 0.54 -0.76 0.00 0.00 175.35 171.31 2rlo n ARG 66 N -4.95 -3.41 -1.66 1.68 1.74 -1.26 -4.66 116.66 104.14 2rlo n ARG 66 Ca 0.05 2.77 -0.51 0.00 -0.77 0.00 0.00 57.85 59.39 2rlo n ARG 66 Cb 0.56 -4.00 -0.06 0.00 -1.02 0.00 0.00 32.46 27.94 2rlo n ARG 66 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2rlo n PRO 67 N -4.41 1.72 -1.58 5.56 -0.02 -1.26 -4.92 135.00 130.10 2rlo n PRO 67 Ca -0.09 0.62 -0.36 0.00 -2.02 0.00 0.00 63.50 61.64 2rlo n PRO 67 Cb 0.70 -2.47 0.08 0.00 -0.02 0.00 0.00 33.50 31.80 2rlo n PRO 67 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2rlo n PRO 68 N 6.49 0.89 -1.31 0.52 -0.02 -1.26 -5.02 135.00 135.29 2rlo n PRO 68 Ca 0.26 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 2rlo n PRO 68 Cb 0.24 -2.51 0.15 0.00 -0.02 0.00 0.00 33.50 31.35 2rlo n PRO 68 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2rlo n ARG 69 N -2.24 -1.09 -0.09 -0.52 3.00 -1.26 -4.63 116.66 109.83 2rlo n ARG 69 Ca 0.15 -1.46 -0.19 0.00 -0.01 0.00 0.00 57.85 56.34 2rlo n ARG 69 Cb 0.49 -1.01 -0.12 0.00 0.00 0.00 0.00 32.46 31.82 2rlo n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2rlo h ALA 70 N -1.91 0.19 0.02 7.54 0.00 -1.96 -3.40 119.26 119.74 2rlo h ALA 70 Ca -0.31 -1.00 -0.20 0.00 0.00 0.00 0.00 54.91 53.40 2rlo h ALA 70 Cb 0.86 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2rlo h ALA 70 CO 0.22 0.50 -1.10 0.82 0.00 0.00 0.00 179.25 179.69 2rlo h ILE 71 N -1.00 1.07 -1.51 0.00 1.08 -1.96 -3.46 117.51 111.73 2rlo h ILE 71 Ca -0.25 -2.24 0.37 0.00 -0.39 0.00 0.00 64.86 62.35 2rlo h ILE 71 Cb 1.20 2.50 -0.11 0.00 -3.07 0.00 0.00 36.82 37.34 2rlo h ILE 71 CO -0.15 0.44 0.93 -0.44 -0.69 0.00 0.00 178.15 178.25 2rlo s SER 72 N -6.78 -0.02 -0.11 1.72 0.01 -1.26 -5.01 113.70 102.25 2rlo s SER 72 Ca -0.26 -0.08 0.10 0.00 1.31 0.00 0.00 55.95 57.02 2rlo s SER 72 Cb 0.04 0.08 0.50 0.00 0.21 0.00 0.00 66.02 66.85 2rlo s SER 72 CO 0.64 -0.15 1.31 0.00 0.41 0.00 0.00 173.24 175.44 2rlo n ALA 73 N -0.65 3.15 -3.08 1.44 0.00 -1.26 -4.51 120.51 115.60 2rlo n ALA 73 Ca -0.04 -1.12 0.01 0.00 0.00 0.00 0.00 53.44 52.29 2rlo n ALA 73 Cb 0.62 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.93 -1.33 -0.43 0.00 0.08 -1.26 -5.09 117.98 108.02 2rlo s PHE 74 Ca 0.34 0.24 0.06 0.00 0.12 0.00 0.00 56.93 57.68 2rlo s PHE 74 Cb 0.24 0.24 0.17 0.00 -0.57 0.00 0.00 43.02 43.11 2rlo s PHE 74 CO 0.13 -0.89 0.53 0.20 -0.10 0.00 0.00 175.22 175.09 2rlo s GLY 75 N 1.95 -0.52 0.70 4.36 0.00 -1.26 -5.15 107.32 107.40 2rlo s GLY 75 Ca 0.16 -0.71 -0.16 0.00 0.00 0.00 0.00 44.72 44.00 2rlo s GLY 75 CO -0.10 3.15 0.63 -1.05 0.00 0.00 0.00 173.10 175.72 2rlo n PRO 76 N 3.75 0.38 -3.64 2.90 -0.02 -1.26 -5.03 135.00 132.08 2rlo n PRO 76 Ca 0.16 0.17 -0.05 0.00 -2.02 0.00 0.00 63.50 61.76 2rlo n PRO 76 Cb 0.52 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 2rlo n PRO 76 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2rlo s SER 77 N -1.46 -1.01 0.25 2.55 1.04 -1.26 -5.04 113.70 108.78 2rlo s SER 77 Ca 0.68 1.52 0.05 0.00 0.48 0.00 0.00 55.95 58.68 2rlo s SER 77 Cb -0.36 1.69 0.31 0.00 0.10 0.00 0.00 66.02 67.75 2rlo s SER 77 CO 0.56 -0.23 1.60 0.00 0.98 0.00 0.00 173.24 176.15 2rlo h ALA 78 N 7.31 0.92 -1.72 5.32 0.00 -2.08 -3.40 119.26 125.62 2rlo h ALA 78 Ca -0.26 -0.51 -0.33 0.00 0.00 0.00 0.00 54.91 53.82 2rlo h ALA 78 Cb 1.19 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.61 2rlo h ALA 78 CO 0.14 0.69 -0.67 0.45 0.00 0.00 0.00 179.25 179.86 2rlo s SER 79 N -6.89 0.36 0.21 0.00 0.15 -1.26 -5.15 113.70 101.13 2rlo s SER 79 Ca -0.04 -1.77 -0.05 0.00 0.70 0.00 0.00 55.95 54.78 2rlo s SER 79 Cb 0.12 0.82 -0.06 0.00 -1.71 0.00 0.00 66.02 65.20 2rlo s SER 79 CO 0.79 -0.19 0.46 -0.83 1.20 0.00 0.00 173.24 174.67 2rlo s GLY 80 N 1.13 2.09 0.10 9.45 0.00 -1.26 -5.10 107.32 113.73 2rlo s GLY 80 Ca 0.22 -0.53 0.10 0.00 0.00 0.00 0.00 44.72 44.50 2rlo s GLY 80 CO -0.06 -0.44 -0.24 -1.35 0.00 0.00 0.00 173.10 171.00 2rlo s SER 81 N -2.70 2.98 0.21 1.64 1.04 -1.26 -5.15 113.70 110.46 2rlo s SER 81 Ca 0.43 -0.68 0.07 0.00 0.48 0.00 0.00 55.95 56.24 2rlo s SER 81 Cb -0.11 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 2rlo s SER 81 CO 0.26 0.15 0.12 0.00 0.98 0.00 0.00 173.24 174.75 2rlo s ALA 82 N -1.02 3.47 0.00 5.32 0.00 -1.26 -4.68 121.76 123.59 2rlo s ALA 82 Ca 0.11 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2rlo s ALA 82 Cb -0.10 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.80 2rlo s ALA 82 CO 0.04 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2rlo n GLY 83 N -0.65 1.42 0.46 0.00 0.00 -1.26 -4.98 105.19 100.18 2rlo n GLY 83 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2rlo n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rlo n GLN 84 N -1.30 0.00 -3.71 1.61 6.02 -1.26 -5.03 117.38 113.70 2rlo n GLN 84 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2rlo n GLN 84 Cb 0.09 -0.68 -0.16 0.00 1.02 0.00 0.00 30.24 30.51 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rlo s ALA 85 N -1.81 0.96 -0.44 -1.58 0.00 -1.26 -5.02 121.76 112.61 2rlo s ALA 85 Ca 0.00 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.32 2rlo s ALA 85 Cb 0.00 -1.20 0.39 0.00 0.00 0.00 0.00 23.12 22.30 2rlo s ALA 85 CO 0.00 -1.23 0.92 0.39 0.00 0.00 0.00 175.76 175.85 2rlo n GLU 86 N 5.07 2.22 0.24 0.00 1.02 -1.26 -4.68 120.64 123.26 2rlo n GLU 86 Ca -0.08 -4.04 -0.16 0.00 -0.02 0.00 0.00 57.16 52.86 2rlo n GLU 86 Cb 0.47 -1.89 -0.08 0.00 -0.02 0.00 0.00 31.44 29.92 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 2.90 -0.56 -2.86 3.49 5.08 -1.89 -3.46 114.58 117.28 2rlo h GLU 87 Ca 0.11 0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.23 2rlo h GLU 87 Cb 0.86 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 2rlo h GLU 87 CO 0.67 -0.37 -0.33 0.39 -1.00 0.00 0.00 179.01 178.37 2rlo n GLU 88 N -5.35 -1.84 -1.90 2.33 1.02 -1.26 -4.85 120.64 108.79 2rlo n GLU 88 Ca -0.11 0.73 -0.43 0.00 -0.02 0.00 0.00 57.16 57.34 2rlo n GLU 88 Cb 0.26 -5.23 -0.03 0.00 -0.02 0.00 0.00 31.44 26.42 2rlo n GLU 88 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2rlo s ASN 89 N -2.09 5.85 0.25 1.62 0.02 -1.26 -4.91 114.94 114.42 2rlo s ASN 89 Ca 0.00 1.53 -0.18 0.00 -1.02 0.00 0.00 52.86 53.18 2rlo s ASN 89 Cb 0.00 -2.52 -0.08 0.00 0.02 0.00 0.00 41.25 38.66 2rlo s ASN 89 CO 0.00 -1.70 0.73 -0.36 0.02 0.00 0.00 177.10 175.78 2rlo s PHE 90 N 6.99 3.58 -0.01 2.20 0.08 -1.26 -4.92 117.98 124.63 2rlo s PHE 90 Ca 0.85 1.34 0.00 0.00 0.12 0.00 0.00 56.93 59.24 2rlo s PHE 90 Cb -0.26 -2.59 0.02 0.00 -0.57 0.00 0.00 43.02 39.62 2rlo s PHE 90 CO 0.34 0.27 0.02 -1.21 -0.10 0.00 0.00 175.22 174.54 2rlo s GLU 91 N -2.24 -0.01 0.24 0.44 8.01 -1.26 -2.40 118.70 121.48 2rlo s GLU 91 Ca 0.46 0.13 0.10 0.00 0.01 0.00 0.00 54.97 55.66 2rlo s GLU 91 Cb -0.15 -0.19 -0.05 0.00 -4.31 0.00 0.00 34.13 29.43 2rlo s GLU 91 CO 0.20 -0.12 -0.17 -0.59 0.01 0.00 0.00 175.26 174.59 2rlo s PHE 92 N 0.77 1.99 0.12 1.61 -0.71 -0.43 -4.22 117.98 117.11 2rlo s PHE 92 Ca -0.06 -0.45 0.11 0.00 -1.04 0.00 0.00 56.93 55.48 2rlo s PHE 92 Cb -0.09 -0.89 -0.04 0.00 -1.21 0.00 0.00 43.02 40.79 2rlo s PHE 92 CO -0.02 0.53 -0.26 -0.51 -1.34 0.00 0.00 175.22 173.62 2rlo s LEU 93 N -3.38 2.30 -0.27 -1.99 1.02 0.69 -1.19 118.68 115.86 2rlo s LEU 93 Ca 0.26 -0.72 0.03 0.00 0.02 0.00 0.00 54.13 53.72 2rlo s LEU 93 Cb -0.03 -1.20 0.07 0.00 0.02 0.00 0.00 46.19 45.04 2rlo s LEU 93 CO 0.11 0.18 -0.09 -0.63 0.02 0.00 0.00 176.35 175.94 2rlo s ILE 94 N -1.03 2.15 -0.14 -0.59 -1.09 0.52 -2.11 121.20 118.91 2rlo s ILE 94 Ca 0.13 -1.71 -0.06 0.00 -2.23 0.00 0.00 60.65 56.78 2rlo s ILE 94 Cb -0.10 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 2rlo s ILE 94 CO 0.05 -0.11 0.07 -0.69 -1.23 0.00 0.00 174.94 173.03 2rlo s VAL 95 N 1.09 4.85 0.25 2.92 1.01 -0.55 0.37 120.40 130.33 2rlo s VAL 95 Ca -0.06 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2rlo s VAL 95 Cb -0.20 -3.13 0.04 0.00 0.00 0.00 0.00 36.38 33.10 2rlo s VAL 95 CO -0.06 0.55 0.34 -0.24 0.00 0.00 0.00 175.10 175.69 2rlo n SER 96 N 2.70 0.83 -0.38 3.32 2.88 0.99 0.10 113.62 124.06 2rlo n SER 96 Ca -0.18 -1.61 0.14 0.00 -1.33 0.00 0.00 58.87 55.89 2rlo n SER 96 Cb 0.53 -0.19 0.61 0.00 -0.75 0.00 0.00 64.21 64.42 2rlo n SER 96 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2rlo n SER 97 N -2.75 1.20 -0.71 -3.46 3.41 -1.26 -3.62 113.62 106.42 2rlo n SER 97 Ca 0.07 -1.40 0.06 0.00 -0.26 0.00 0.00 58.87 57.34 2rlo n SER 97 Cb 0.25 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.41 2rlo n SER 97 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2rlo n THR 98 N -0.06 2.24 0.00 6.66 5.66 -1.26 -4.94 114.28 122.57 2rlo n THR 98 Ca 0.20 -2.25 0.00 0.00 -3.05 0.00 0.00 64.05 58.95 2rlo n THR 98 Cb 0.31 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 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 -0.92 3.03 3.65 1.09 0.00 -1.24 -4.99 105.19 105.81 2rlo n GLY 99 Ca 0.22 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.77 1.88 -3.82 1.61 -0.06 -1.26 -4.71 117.38 109.24 2rlo n GLN 100 Ca 0.00 0.68 -0.27 0.00 -2.00 0.00 0.00 57.00 55.41 2rlo n GLN 100 Cb 0.00 -2.42 -0.17 0.00 -4.06 0.00 0.00 30.24 23.60 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 1.09 0.80 -0.50 1.69 2.01 -1.26 -0.00 115.64 119.47 2rlo s THR 101 Ca 0.82 -0.45 -0.18 0.00 0.31 0.00 0.00 61.69 62.18 2rlo s THR 101 Cb -0.76 -1.06 0.06 0.00 0.01 0.00 0.00 72.50 70.75 2rlo s THR 101 CO 0.42 0.07 0.58 0.26 -0.69 0.00 0.00 174.62 175.25 2rlo s TRP 102 N 1.76 3.09 -0.33 4.92 0.52 0.16 -4.86 118.94 124.19 2rlo s TRP 102 Ca 0.01 -0.60 -0.17 0.00 0.02 0.00 0.00 56.10 55.36 2rlo s TRP 102 Cb -0.15 -3.46 -0.01 0.00 -1.15 0.00 0.00 33.47 28.70 2rlo s TRP 102 CO -0.07 -0.98 0.46 -1.58 0.02 0.00 0.00 176.95 174.79 2rlo s HIS 103 N 2.44 3.20 0.34 -1.98 2.46 -1.26 -0.35 115.29 120.14 2rlo s HIS 103 Ca 0.13 0.19 0.08 0.00 0.47 0.00 0.00 55.06 55.93 2rlo s HIS 103 Cb -0.20 -2.80 -0.07 0.00 -0.13 0.00 0.00 32.58 29.39 2rlo s HIS 103 CO 0.11 -0.45 -0.06 -0.06 -2.47 0.00 0.00 174.74 171.81 2rlo s PHE 104 N 2.25 2.29 -0.26 3.88 0.08 -0.33 -4.20 117.98 121.69 2rlo s PHE 104 Ca 0.17 -0.60 0.01 0.00 0.12 0.00 0.00 56.93 56.62 2rlo s PHE 104 Cb -0.16 -1.38 0.07 0.00 -0.57 0.00 0.00 43.02 40.98 2rlo s PHE 104 CO 0.12 0.46 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.69 2rlo s GLU 105 N -3.67 1.37 -0.12 0.44 2.12 -0.10 -1.32 118.70 117.43 2rlo s GLU 105 Ca 0.32 -1.07 -0.36 0.00 0.36 0.00 0.00 54.97 54.23 2rlo s GLU 105 Cb 0.04 -2.53 -0.13 0.00 0.26 0.00 0.00 34.13 31.77 2rlo s GLU 105 CO 0.16 -0.71 1.78 0.00 -0.54 0.00 0.00 175.26 175.95 2rlo n ALA 106 N 4.68 0.48 0.19 6.30 0.00 -1.01 -2.29 120.51 128.86 2rlo n ALA 106 Ca -0.08 0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.74 2rlo n ALA 106 Cb 0.44 -2.38 0.45 0.00 0.00 0.00 0.00 19.45 17.96 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 8.03 1.61 -3.97 0.00 0.00 -1.89 -3.42 119.26 119.62 2rlo h ALA 107 Ca -0.47 -0.20 -0.69 0.00 0.00 0.00 0.00 54.91 53.55 2rlo h ALA 107 Cb 1.29 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.81 2rlo h ALA 107 CO 0.94 0.29 -0.85 -1.12 0.00 0.00 0.00 179.25 178.51 2rlo s SER 108 N -6.96 3.50 0.22 0.00 0.01 -1.26 -5.04 113.70 104.17 2rlo s SER 108 Ca -0.04 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.55 2rlo s SER 108 Cb 0.15 -0.38 0.20 0.00 0.21 0.00 0.00 66.02 66.21 2rlo s SER 108 CO 0.71 0.21 1.69 -0.26 0.41 0.00 0.00 173.24 176.01 2rlo h PHE 109 N 4.18 0.99 -0.10 2.43 0.04 -1.95 -2.16 116.94 120.37 2rlo h PHE 109 Ca -0.49 -0.16 -0.21 0.00 2.80 0.00 0.00 57.97 59.91 2rlo h PHE 109 Cb 1.16 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.05 2rlo h PHE 109 CO 0.56 0.91 -0.78 1.49 -0.60 0.00 0.00 178.31 179.89 2rlo h GLU 110 N 0.84 0.59 -0.48 1.51 4.57 -1.97 -3.19 114.58 116.45 2rlo h GLU 110 Ca 0.15 -0.50 -0.03 0.00 -1.18 0.00 0.00 59.36 57.81 2rlo h GLU 110 Cb 0.53 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 2rlo h GLU 110 CO 0.03 1.12 0.17 1.49 -1.18 0.00 0.00 179.01 180.64 2rlo h GLU 111 N 0.39 0.70 -0.93 1.92 4.57 -1.93 -2.24 114.58 117.07 2rlo h GLU 111 Ca -0.05 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2rlo h GLU 111 Cb 1.38 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.78 2rlo h GLU 111 CO 0.15 0.60 0.58 0.07 -1.18 0.00 0.00 179.01 179.22 2rlo h ARG 112 N 0.69 1.00 -0.04 1.92 -0.00 -1.38 0.23 114.38 116.80 2rlo h ARG 112 Ca 0.17 -0.06 -0.21 0.00 -0.00 0.00 0.00 59.98 59.88 2rlo h ARG 112 Cb 0.17 -0.22 -0.00 0.00 -0.00 0.00 0.00 29.97 29.92 2rlo h ARG 112 CO -0.01 0.66 -0.84 0.22 -0.00 0.00 0.00 179.97 180.00 2rlo h ASP 113 N 1.03 0.52 -0.24 0.08 3.58 -1.56 -2.05 116.42 117.78 2rlo h ASP 113 Ca 0.41 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 2rlo h ASP 113 Cb 0.24 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2rlo h ASP 113 CO -0.19 1.15 0.06 0.00 -2.88 0.00 0.00 179.24 177.38 2rlo h ALA 114 N 0.82 0.31 0.30 -0.78 0.00 -0.73 -0.71 119.26 118.47 2rlo h ALA 114 Ca -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2rlo h ALA 114 Cb 1.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2rlo h ALA 114 CO 0.14 -0.04 -0.14 -1.49 0.00 0.00 0.00 179.25 177.72 2rlo h TRP 115 N 0.21 -0.37 -0.91 0.00 4.06 -0.61 0.98 115.95 119.30 2rlo h TRP 115 Ca 0.07 -0.01 0.15 0.00 2.06 0.00 0.00 58.89 61.16 2rlo h TRP 115 Cb 0.27 0.12 -0.07 0.00 -1.00 0.00 0.00 29.16 28.47 2rlo h TRP 115 CO 0.01 -0.21 0.59 -0.24 -3.56 0.00 0.00 178.44 175.03 2rlo h VAL 116 N -0.43 0.83 0.02 1.49 3.04 -1.32 0.28 116.25 120.16 2rlo h VAL 116 Ca -0.04 -0.25 -0.20 0.00 -1.01 0.00 0.00 66.70 65.20 2rlo h VAL 116 Cb 0.33 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.64 2rlo h VAL 116 CO 0.07 0.13 -0.92 1.56 -1.01 0.00 0.00 177.57 177.40 2rlo h GLN 117 N 0.72 0.14 -0.17 4.17 1.08 -0.60 -2.54 115.11 117.91 2rlo h GLN 117 Ca 0.47 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.47 2rlo h GLN 117 Cb 0.73 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 2rlo h GLN 117 CO -0.22 0.96 0.01 0.00 -0.95 0.00 0.00 178.83 178.62 2rlo h ALA 118 N 0.98 0.23 -0.11 3.87 0.00 0.39 0.66 119.26 125.27 2rlo h ALA 118 Ca -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2rlo h ALA 118 Cb 1.58 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2rlo h ALA 118 CO 0.14 -0.07 0.03 0.82 0.00 0.00 0.00 179.25 180.16 2rlo h ILE 119 N 0.05 1.19 -0.14 0.00 5.03 -0.66 0.01 117.51 122.99 2rlo h ILE 119 Ca 0.05 -0.58 -0.10 0.00 -0.12 0.00 0.00 64.86 64.11 2rlo h ILE 119 Cb 0.36 1.37 -0.01 0.00 -3.03 0.00 0.00 36.82 35.51 2rlo h ILE 119 CO 0.01 0.17 -0.35 1.05 -0.68 0.00 0.00 178.15 178.35 2rlo h GLU 120 N -0.02 0.28 -0.55 2.37 4.11 -1.44 -1.95 114.58 117.39 2rlo h GLU 120 Ca 0.03 -0.12 -0.09 0.00 0.07 0.00 0.00 59.36 59.26 2rlo h GLU 120 Cb 0.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2rlo h GLU 120 CO -0.00 0.60 -0.02 0.77 0.07 0.00 0.00 179.01 180.43 2rlo h SER 121 N 0.24 0.93 0.05 3.06 0.02 0.58 -1.29 113.55 117.15 2rlo h SER 121 Ca 0.03 -0.26 -0.12 0.00 -0.84 0.00 0.00 61.79 60.60 2rlo h SER 121 Cb 0.73 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2rlo h SER 121 CO 0.06 1.00 -0.39 1.56 -1.14 0.00 0.00 176.83 177.92 2rlo h GLN 122 N 0.87 0.45 -0.29 3.45 7.50 -0.68 -2.23 115.11 124.18 2rlo h GLN 122 Ca 0.16 -0.21 -0.14 0.00 0.50 0.00 0.00 58.65 58.96 2rlo h GLN 122 Cb 0.54 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.06 2rlo h GLN 122 CO 0.03 0.77 -0.38 0.82 -1.50 0.00 0.00 178.83 178.56 2rlo h ILE 123 N 0.37 1.29 -0.40 2.54 2.04 -0.99 0.07 117.51 122.43 2rlo h ILE 123 Ca 0.04 -1.54 -0.12 0.00 1.00 0.00 0.00 64.86 64.23 2rlo h ILE 123 Cb 0.85 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2rlo h ILE 123 CO 0.07 0.50 -0.22 0.25 0.00 0.00 0.00 178.15 178.74 2rlo h LEU 124 N 0.56 0.89 -0.63 1.44 5.85 -1.08 -0.13 115.31 122.20 2rlo h LEU 124 Ca 0.05 -0.41 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 2rlo h LEU 124 Cb 0.90 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2rlo h LEU 124 CO 0.08 1.11 -0.57 0.00 -0.34 0.00 0.00 178.44 178.72 2rlo h ALA 125 N 0.81 0.86 0.00 1.25 0.00 -1.33 -2.84 119.26 118.00 2rlo h ALA 125 Ca 0.09 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 2rlo h ALA 125 Cb 0.79 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2rlo h ALA 125 CO 0.06 0.72 -0.98 0.66 0.00 0.00 0.00 179.25 179.71 2rlo h SER 126 N 0.00 0.00 -0.12 0.00 4.64 -0.84 -3.28 113.55 113.95 2rlo h SER 126 Ca -0.01 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.12 2rlo h SER 126 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2rlo h SER 126 CO 0.07 0.98 -0.64 0.25 -0.87 0.00 0.00 176.83 176.62 2rlo h LEU 127 N 0.00 0.85 -0.70 5.97 6.46 -0.96 -3.49 115.31 123.44 2rlo h LEU 127 Ca -0.01 -0.50 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 2rlo h LEU 127 Cb 1.75 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 2rlo h LEU 127 CO 0.13 1.28 0.00 0.00 -0.62 0.00 0.00 178.44 179.22