#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 3.69 -0.04 5.13 0.00 -1.26 -5.00 121.76 124.28 2rlo s ALA 2 Ca 0.00 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 51.67 2rlo s ALA 2 Cb 0.00 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 2rlo s ALA 2 CO 0.00 0.37 -0.21 0.42 0.00 0.00 0.00 175.76 176.34 2rlo s ILE 3 N -0.55 1.75 0.14 0.00 -1.09 -1.26 -4.87 121.20 115.32 2rlo s ILE 3 Ca 0.21 -0.91 -0.31 0.00 -2.23 0.00 0.00 60.65 57.41 2rlo s ILE 3 Cb -0.15 -1.48 -0.10 0.00 -1.58 0.00 0.00 42.46 39.15 2rlo s ILE 3 CO 0.09 0.49 1.68 -2.16 -1.23 0.00 0.00 174.94 173.81 2rlo s PRO 4 N -0.15 4.18 0.16 2.79 0.04 -1.26 -0.66 135.00 140.10 2rlo s PRO 4 Ca -0.02 2.45 0.22 0.00 0.04 0.00 0.00 61.00 63.70 2rlo s PRO 4 Cb -0.12 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2rlo s PRO 4 CO 0.02 -0.72 0.96 -0.89 0.04 0.00 0.00 177.00 176.42 2rlo n ILE 5 N 4.36 0.52 0.00 0.56 2.08 0.79 -4.89 119.36 122.78 2rlo n ILE 5 Ca 0.16 -0.53 0.00 0.00 0.56 0.00 0.00 62.75 62.94 2rlo n ILE 5 Cb 0.38 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 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 -2.59 0.00 -3.81 0.38 3.00 -0.83 -4.87 118.16 109.44 2rlo n LYS 6 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 2rlo n LYS 6 Cb 0.55 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.42 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 1.02 0.16 1.64 -2.07 -1.26 0.92 119.66 120.08 2rlo s GLN 7 Ca 0.00 -0.71 -0.09 0.00 -1.82 0.00 0.00 55.36 52.75 2rlo s GLN 7 Cb 0.00 -2.29 0.03 0.00 -1.09 0.00 0.00 33.01 29.66 2rlo s GLN 7 CO 0.00 -0.66 0.44 -1.13 -1.32 0.00 0.00 175.29 172.62 2rlo n SER 8 N 4.88 -1.07 -4.79 12.60 3.41 -0.04 -4.98 113.62 123.65 2rlo n SER 8 Ca -0.09 -1.69 -0.36 0.00 -0.26 0.00 0.00 58.87 56.46 2rlo n SER 8 Cb 0.45 1.77 -0.06 0.00 -0.26 0.00 0.00 64.21 66.11 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 -5.05 3.65 0.02 7.33 0.08 -1.26 -0.52 117.98 122.23 2rlo s PHE 9 Ca 0.09 1.76 -0.00 0.00 0.12 0.00 0.00 56.93 58.90 2rlo s PHE 9 Cb -0.02 -2.91 -0.02 0.00 -0.57 0.00 0.00 43.02 39.49 2rlo s PHE 9 CO 0.05 0.18 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.81 2rlo s LEU 10 N -2.18 2.24 0.00 -0.37 1.02 -0.69 -4.36 118.68 114.34 2rlo s LEU 10 Ca 0.51 -0.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.90 2rlo s LEU 10 Cb -0.17 0.14 -0.05 0.00 0.02 0.00 0.00 46.19 46.12 2rlo s LEU 10 CO 0.22 -0.35 0.62 -0.22 0.02 0.00 0.00 176.35 176.65 2rlo s LEU 11 N -1.66 4.42 -0.24 1.79 2.96 -0.94 0.13 118.68 125.14 2rlo s LEU 11 Ca -0.13 1.21 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 2rlo s LEU 11 Cb -0.07 -2.97 0.06 0.00 0.50 0.00 0.00 46.19 43.70 2rlo s LEU 11 CO -0.02 0.09 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.24 2rlo s LYS 12 N -0.18 2.17 0.60 1.98 2.47 -0.37 -1.05 119.74 125.36 2rlo s LYS 12 Ca 0.32 -1.21 -0.20 0.00 -1.56 0.00 0.00 55.97 53.32 2rlo s LYS 12 Cb -0.19 -2.78 -0.03 0.00 -1.46 0.00 0.00 37.83 33.37 2rlo s LYS 12 CO 0.18 -0.54 1.28 2.89 0.16 0.00 0.00 175.35 179.33 2rlo n ARG 13 N 4.51 1.35 -3.33 4.03 1.85 -1.26 -1.66 116.66 122.15 2rlo n ARG 13 Ca -0.14 0.51 -0.26 0.00 -1.00 0.00 0.00 57.85 56.96 2rlo n ARG 13 Cb 0.43 -2.51 -0.07 0.00 -1.05 0.00 0.00 32.46 29.26 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 -1.35 3.05 -0.59 2.89 7.64 0.30 -4.88 113.62 120.69 2rlo n SER 14 Ca 0.13 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.70 2rlo n SER 14 Cb 0.46 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 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 0.85 -1.07 2.61 0.23 0.00 -1.26 -4.75 105.19 101.80 2rlo n GLY 15 Ca 0.28 -1.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.81 -7.21 0.06 1.61 3.02 -1.26 -4.16 115.26 105.50 2rlo n ASN 16 Ca 0.00 1.32 -0.13 0.00 -0.03 0.00 0.00 54.58 55.75 2rlo n ASN 16 Cb 0.00 -5.00 -0.09 0.00 -0.61 0.00 0.00 39.78 34.08 2rlo n ASN 16 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2rlo h SER 17 N 2.86 -0.15 -0.96 6.41 0.02 -1.96 -1.31 113.55 118.45 2rlo h SER 17 Ca -0.03 -0.34 0.06 0.00 -0.84 0.00 0.00 61.79 60.64 2rlo h SER 17 Cb 0.06 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 2rlo h SER 17 CO 0.09 0.29 0.62 -0.07 -1.14 0.00 0.00 176.83 176.62 2rlo h LEU 18 N -0.64 1.00 -6.58 5.07 3.38 -2.02 -3.27 115.31 112.25 2rlo h LEU 18 Ca -0.02 0.01 -0.60 0.00 0.09 0.00 0.00 57.88 57.36 2rlo h LEU 18 Cb 0.49 -0.21 -0.41 0.00 0.09 0.00 0.00 40.66 40.62 2rlo h LEU 18 CO 0.03 0.65 -0.72 0.59 0.09 0.00 0.00 178.44 179.09 2rlo n ASN 19 N -4.52 2.24 -3.95 -0.43 3.02 -1.22 -4.81 115.26 105.59 2rlo n ASN 19 Ca 0.14 -3.06 -0.27 0.00 -0.03 0.00 0.00 54.58 51.36 2rlo n ASN 19 Cb 0.16 -0.68 0.14 0.00 -0.61 0.00 0.00 39.78 38.78 2rlo n ASN 19 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2rlo n LYS 20 N 1.75 -1.57 -3.14 3.52 4.76 -0.50 -4.67 118.16 118.32 2rlo n LYS 20 Ca 0.25 -0.46 0.05 0.00 -2.87 0.00 0.00 58.31 55.28 2rlo n LYS 20 Cb 0.41 -1.47 -0.00 0.00 -1.84 0.00 0.00 35.03 32.13 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 -3.17 0.32 -0.11 1.97 -6.30 -1.26 -4.97 118.70 105.17 2rlo s GLU 21 Ca 0.43 0.28 -0.05 0.00 -2.50 0.00 0.00 54.97 53.14 2rlo s GLU 21 Cb -0.05 0.14 -0.04 0.00 0.00 0.00 0.00 34.13 34.17 2rlo s GLU 21 CO 0.51 -0.59 0.08 -1.58 0.02 0.00 0.00 175.26 173.70 2rlo s TRP 22 N 2.85 3.41 0.23 5.30 0.52 -1.26 0.11 118.94 130.11 2rlo s TRP 22 Ca 0.20 0.38 0.10 0.00 0.02 0.00 0.00 56.10 56.80 2rlo s TRP 22 Cb -0.05 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 2rlo s TRP 22 CO -0.24 0.60 -0.08 0.15 0.02 0.00 0.00 176.95 177.40 2rlo s LYS 23 N -0.88 2.07 0.05 4.98 -0.14 -0.66 -4.72 119.74 120.44 2rlo s LYS 23 Ca 0.14 -1.43 -0.30 0.00 -1.36 0.00 0.00 55.97 53.01 2rlo s LYS 23 Cb -0.12 -2.08 -0.08 0.00 -1.68 0.00 0.00 37.83 33.87 2rlo s LYS 23 CO 0.03 0.39 1.77 0.15 -0.76 0.00 0.00 175.35 176.93 2rlo s LYS 24 N -3.30 4.17 0.19 1.68 -0.14 -1.26 -1.23 119.74 119.84 2rlo s LYS 24 Ca 0.28 2.44 0.01 0.00 -1.36 0.00 0.00 55.97 57.34 2rlo s LYS 24 Cb -0.07 -3.80 -0.00 0.00 -1.68 0.00 0.00 37.83 32.27 2rlo s LYS 24 CO 0.17 -0.83 0.03 1.17 -0.76 0.00 0.00 175.35 175.13 2rlo n LYS 25 N 6.36 1.16 -3.59 1.68 3.00 0.35 -4.53 118.16 122.58 2rlo n LYS 25 Ca 0.18 -1.51 -0.17 0.00 -0.00 0.00 0.00 58.31 56.80 2rlo n LYS 25 Cb 0.40 0.59 -0.14 0.00 0.00 0.00 0.00 35.03 35.89 2rlo n LYS 25 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 2rlo s TYR 26 N -1.97 -0.23 0.11 5.64 6.14 -0.60 -1.71 117.35 124.73 2rlo s TYR 26 Ca 0.04 0.44 0.10 0.00 0.64 0.00 0.00 57.07 58.29 2rlo s TYR 26 Cb 0.00 -0.30 -0.04 0.00 0.42 0.00 0.00 41.96 42.05 2rlo s TYR 26 CO 0.03 -0.44 -0.26 0.08 0.64 0.00 0.00 175.55 175.60 2rlo s VAL 27 N 2.32 2.29 -0.15 3.14 1.01 0.32 0.19 120.40 129.52 2rlo s VAL 27 Ca 0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 61.98 60.34 2rlo s VAL 27 Cb -0.14 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.31 2rlo s VAL 27 CO -0.09 0.16 0.07 -0.89 0.00 0.00 0.00 175.10 174.35 2rlo s THR 28 N -1.00 0.05 -0.31 3.92 2.01 0.54 -0.86 115.64 119.99 2rlo s THR 28 Ca 0.14 -0.14 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 2rlo s THR 28 Cb -0.10 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 2rlo s THR 28 CO 0.05 -0.18 0.68 -0.22 -0.69 0.00 0.00 174.62 174.27 2rlo s LEU 29 N 2.08 4.14 0.33 4.42 1.98 0.26 -2.34 118.68 129.56 2rlo s LEU 29 Ca 0.02 0.47 0.07 0.00 -2.89 0.00 0.00 54.13 51.81 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 -0.08 -0.53 0.30 -0.55 -1.89 0.00 0.00 176.35 173.60 2rlo s SER 30 N 1.65 5.32 0.00 3.68 0.15 -1.04 0.28 113.70 123.73 2rlo s SER 30 Ca 0.27 -0.48 0.26 0.00 0.70 0.00 0.00 55.95 56.71 2rlo s SER 30 Cb -0.15 -1.00 1.57 0.00 -1.71 0.00 0.00 66.02 64.74 2rlo s SER 30 CO 0.12 -0.35 1.97 -0.24 1.20 0.00 0.00 173.24 175.94 2rlo n SER 31 N -1.38 0.00 -1.68 5.45 2.88 0.16 -3.47 113.62 115.58 2rlo n SER 31 Ca -0.02 -1.01 -0.08 0.00 -1.33 0.00 0.00 58.87 56.43 2rlo n SER 31 Cb 0.60 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.24 2rlo n SER 31 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2rlo n ASN 32 N -0.95 3.79 -3.77 -3.46 2.04 -1.26 -4.85 115.26 106.80 2rlo n ASN 32 Ca 0.20 -2.91 -0.26 0.00 -0.44 0.00 0.00 54.58 51.16 2rlo n ASN 32 Cb 0.09 -0.69 0.04 0.00 -2.53 0.00 0.00 39.78 36.70 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2rlo n GLY 33 N -0.20 -0.47 2.78 4.83 0.00 -1.23 -4.90 105.19 106.00 2rlo n GLY 33 Ca 0.32 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.37 0.19 -0.27 1.61 2.19 -1.26 -0.35 117.98 116.72 2rlo s PHE 34 Ca 0.50 0.08 -0.07 0.00 0.33 0.00 0.00 56.93 57.77 2rlo s PHE 34 Cb -0.24 -0.37 -0.01 0.00 -1.31 0.00 0.00 43.02 41.09 2rlo s PHE 34 CO 0.80 -0.13 0.07 -1.17 1.83 0.00 0.00 175.22 176.61 2rlo s LEU 35 N 1.23 3.62 0.11 6.12 2.96 -0.94 -2.50 118.68 129.28 2rlo s LEU 35 Ca -0.07 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.41 2rlo s LEU 35 Cb -0.13 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2rlo s LEU 35 CO -0.03 -0.12 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.02 2rlo s LEU 36 N 1.54 3.01 -0.17 -0.68 1.02 -0.99 -1.52 118.68 120.90 2rlo s LEU 36 Ca 0.04 -0.42 -0.09 0.00 0.02 0.00 0.00 54.13 53.68 2rlo s LEU 36 Cb -0.16 -1.80 0.06 0.00 0.02 0.00 0.00 46.19 44.31 2rlo s LEU 36 CO 0.02 0.17 0.41 -0.72 0.02 0.00 0.00 176.35 176.25 2rlo s TYR 37 N -1.27 -0.61 0.30 0.29 -0.85 0.69 -0.34 117.35 115.56 2rlo s TYR 37 Ca 0.22 1.30 0.11 0.00 -0.52 0.00 0.00 57.07 58.17 2rlo s TYR 37 Cb -0.11 0.27 -0.05 0.00 0.38 0.00 0.00 41.96 42.44 2rlo s TYR 37 CO 0.14 -0.35 -0.16 -1.01 -1.52 0.00 0.00 175.55 172.65 2rlo s HIS 38 N 1.48 2.34 0.28 -3.49 3.76 0.13 -1.17 115.29 118.62 2rlo s HIS 38 Ca -0.09 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.45 2rlo s HIS 38 Cb -0.09 -1.12 0.66 0.00 1.11 0.00 0.00 32.58 33.14 2rlo s HIS 38 CO -0.13 0.67 1.69 -1.35 -0.85 0.00 0.00 174.74 174.77 2rlo h PRO 39 N 2.17 0.34 0.00 8.40 0.11 -1.81 -1.58 132.00 139.63 2rlo h PRO 39 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2rlo h PRO 39 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2rlo h PRO 39 CO 0.63 0.23 0.00 0.43 -0.21 0.00 0.00 178.00 179.08 2rlo n SER 40 N -5.09 0.00 -0.05 -2.05 7.64 -1.26 -3.92 113.62 108.88 2rlo n SER 40 Ca 0.20 -0.73 -0.12 0.00 1.01 0.00 0.00 58.87 59.23 2rlo n SER 40 Cb 0.61 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 2rlo n SER 40 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2rlo h ILE 41 N 0.73 1.25 -0.46 0.44 5.03 -1.89 -2.47 117.51 120.15 2rlo h ILE 41 Ca 0.00 -0.84 0.13 0.00 -0.12 0.00 0.00 64.86 64.03 2rlo h ILE 41 Cb 0.00 1.48 -0.02 0.00 -3.03 0.00 0.00 36.82 35.25 2rlo h ILE 41 CO 0.00 0.25 0.51 0.78 -0.68 0.00 0.00 178.15 179.01 2rlo h ASN 42 N 0.05 0.00 0.04 1.72 2.35 -1.98 0.30 115.58 118.06 2rlo h ASN 42 Ca 0.05 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.58 2rlo h ASN 42 Cb 0.38 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.77 2rlo h ASN 42 CO 0.01 0.00 -0.88 0.44 -1.65 0.00 0.00 177.43 175.35 2rlo h ASP 43 N 0.00 0.70 0.06 5.81 5.19 -1.69 -1.77 116.42 124.72 2rlo h ASP 43 Ca 0.22 -0.79 -0.00 0.00 -0.62 0.00 0.00 57.03 55.83 2rlo h ASP 43 Cb 1.23 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.52 2rlo h ASP 43 CO -0.00 1.41 -0.03 0.22 -3.12 0.00 0.00 179.24 177.72 2rlo h TYR 44 N 0.07 -0.07 0.66 4.55 3.20 -0.35 1.05 116.97 126.08 2rlo h TYR 44 Ca -0.12 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 2rlo h TYR 44 Cb 1.58 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.87 2rlo h TYR 44 CO 0.14 0.37 -0.39 0.82 -1.64 0.00 0.00 178.16 177.45 2rlo h ILE 45 N -0.53 0.00 0.00 1.81 2.04 -0.84 -3.11 117.51 116.88 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 0.47 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 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 -0.98 0.00 -3.32 1.37 3.86 -1.44 -3.48 115.15 111.17 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 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2rlo h HIS 46 CO -0.04 0.30 -0.03 0.45 0.86 0.00 0.00 177.93 179.47 2rlo n SER 47 N -3.38 -2.80 -3.63 2.45 2.88 0.33 -5.02 113.62 104.45 2rlo n SER 47 Ca 0.01 0.02 -0.16 0.00 -1.33 0.00 0.00 58.87 57.41 2rlo n SER 47 Cb 0.51 -1.59 -0.14 0.00 -0.75 0.00 0.00 64.21 62.23 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 -2.26 -0.32 -0.26 2.46 -4.23 0.78 -4.99 115.64 106.82 2rlo s THR 48 Ca 0.01 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.74 2rlo s THR 48 Cb -0.00 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.42 2rlo s THR 48 CO 0.10 0.07 0.06 1.41 -0.54 0.00 0.00 174.62 175.72 2rlo n HIS 49 N 5.33 -3.18 -3.43 3.99 8.25 -1.26 -4.55 115.22 120.37 2rlo n HIS 49 Ca -0.05 1.40 -0.26 0.00 -0.26 0.00 0.00 57.72 58.54 2rlo n HIS 49 Cb 0.50 -3.54 -0.11 0.00 1.12 0.00 0.00 29.99 27.96 2rlo n HIS 49 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2rlo s GLY 50 N -1.44 0.68 0.40 -1.41 0.00 -1.26 -3.62 107.32 100.66 2rlo s GLY 50 Ca 0.03 -1.72 -0.26 0.00 0.00 0.00 0.00 44.72 42.77 2rlo s GLY 50 CO 0.63 2.25 1.23 1.25 0.00 0.00 0.00 173.10 178.46 2rlo s LYS 51 N 1.05 4.05 0.03 2.90 2.20 -0.32 -4.72 119.74 124.93 2rlo s LYS 51 Ca 0.19 1.99 0.01 0.00 -0.36 0.00 0.00 55.97 57.80 2rlo s LYS 51 Cb -0.19 -2.75 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 2rlo s LYS 51 CO -0.02 -0.37 -0.05 -1.83 -0.36 0.00 0.00 175.35 172.72 2rlo s GLU 52 N -2.22 0.43 0.05 4.03 -1.05 -1.26 -0.22 118.70 118.47 2rlo s GLU 52 Ca 0.56 -0.72 0.02 0.00 -0.15 0.00 0.00 54.97 54.69 2rlo s GLU 52 Cb -0.34 -0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.24 2rlo s GLU 52 CO 0.44 -0.01 -0.08 0.00 0.95 0.00 0.00 175.26 176.56 2rlo s MET 53 N -1.66 0.58 0.02 -4.83 0.23 -0.57 -4.97 119.30 108.10 2rlo s MET 53 Ca -0.12 -0.85 -0.30 0.00 -1.03 0.00 0.00 55.69 53.39 2rlo s MET 53 Cb -0.09 -0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 32.87 2rlo s MET 53 CO -0.01 0.05 1.10 0.34 -2.03 0.00 0.00 175.02 174.47 2rlo s ASP 54 N -1.79 7.20 -0.20 -1.18 2.15 -1.26 -2.22 116.67 119.37 2rlo s ASP 54 Ca -0.07 1.83 0.05 0.00 0.43 0.00 0.00 52.55 54.80 2rlo s ASP 54 Cb -0.08 -2.57 0.42 0.00 -0.30 0.00 0.00 42.92 40.39 2rlo s ASP 54 CO -0.00 -0.39 1.39 0.18 -0.17 0.00 0.00 175.17 176.18 2rlo n LEU 55 N 4.06 4.51 -0.05 -1.34 4.77 0.53 -4.22 117.00 125.26 2rlo n LEU 55 Ca 0.08 -2.34 -0.18 0.00 -0.03 0.00 0.00 56.01 53.54 2rlo n LEU 55 Cb 0.48 -0.66 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 2rlo n LEU 55 CO 0.54 0.66 0.03 0.25 -1.33 0.00 0.00 177.39 177.54 2rlo h LEU 56 N 1.57 0.12 -5.06 2.23 6.46 -1.87 -3.23 115.31 115.52 2rlo h LEU 56 Ca 0.20 -0.87 -0.56 0.00 -0.12 0.00 0.00 57.88 56.54 2rlo h LEU 56 Cb 1.75 -0.04 -0.42 0.00 -0.73 0.00 0.00 40.66 41.23 2rlo h LEU 56 CO 0.48 1.25 -0.78 0.54 -0.62 0.00 0.00 178.44 179.31 2rlo n ARG 57 N -4.41 2.90 -3.86 1.25 5.12 -1.26 -4.70 116.66 111.70 2rlo n ARG 57 Ca -0.17 -4.45 -0.21 0.00 -1.93 0.00 0.00 57.85 51.09 2rlo n ARG 57 Cb 0.63 -2.10 -0.02 0.00 -1.16 0.00 0.00 32.46 29.80 2rlo n ARG 57 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2rlo s THR 58 N -4.53 4.53 0.24 0.55 -4.23 -1.26 -3.58 115.64 107.36 2rlo s THR 58 Ca 0.46 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 2rlo s THR 58 Cb 0.35 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 2rlo s THR 58 CO -0.14 -0.27 0.07 -0.89 -0.54 0.00 0.00 174.62 172.85 2rlo s THR 59 N -2.11 0.61 -0.16 3.99 2.01 -0.14 -4.96 115.64 114.88 2rlo s THR 59 Ca 0.37 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.38 2rlo s THR 59 Cb -0.08 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.93 2rlo s THR 59 CO 0.28 -0.12 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.25 2rlo s VAL 60 N -3.72 1.72 0.07 3.82 1.01 -1.26 -1.18 120.40 120.86 2rlo s VAL 60 Ca 0.34 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2rlo s VAL 60 Cb 0.07 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2rlo s VAL 60 CO 0.11 0.46 -0.02 -0.75 0.00 0.00 0.00 175.10 174.90 2rlo s LYS 61 N 1.42 2.52 -0.01 2.72 2.20 -0.88 -4.93 119.74 122.79 2rlo s LYS 61 Ca 0.04 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2rlo s LYS 61 Cb -0.13 -2.52 0.01 0.00 -1.51 0.00 0.00 37.83 33.68 2rlo s LYS 61 CO -0.11 0.56 -0.00 0.08 -0.36 0.00 0.00 175.35 175.51 2rlo s VAL 62 N -1.22 0.10 -0.85 4.02 1.01 -1.26 0.41 120.40 122.61 2rlo s VAL 62 Ca 0.23 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 2rlo s VAL 62 Cb -0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.05 2rlo s VAL 62 CO 0.15 0.07 2.02 -0.81 0.00 0.00 0.00 175.10 176.53 2rlo n PRO 63 N 3.52 1.86 0.00 2.72 -0.04 -1.26 -4.32 135.00 137.48 2rlo n PRO 63 Ca -0.19 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 2rlo n PRO 63 Cb 0.55 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 3.97 2.50 3.19 0.55 0.00 -1.26 -5.13 105.19 109.02 2rlo n GLY 64 Ca 0.44 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2rlo n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rlo n LYS 65 N 0.00 -2.09 -1.12 1.61 4.76 -1.26 -4.78 118.16 115.28 2rlo n LYS 65 Ca 0.00 -0.60 0.06 0.00 -2.87 0.00 0.00 58.31 54.90 2rlo n LYS 65 Cb 0.00 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.50 2rlo n LYS 65 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2rlo n ARG 66 N -2.30 -2.79 -1.66 1.97 1.74 -1.26 -4.77 116.66 107.59 2rlo n ARG 66 Ca 0.03 2.22 -0.48 0.00 -0.77 0.00 0.00 57.85 58.85 2rlo n ARG 66 Cb 0.54 -2.95 -0.05 0.00 -1.02 0.00 0.00 32.46 28.99 2rlo n ARG 66 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2rlo n PRO 67 N -3.01 1.94 -1.51 5.56 -0.04 -1.26 -4.82 135.00 131.87 2rlo n PRO 67 Ca -0.03 0.71 -0.50 0.00 -0.04 0.00 0.00 63.50 63.63 2rlo n PRO 67 Cb 0.43 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 2rlo n PRO 67 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2rlo n PRO 68 N 4.20 1.30 -1.95 0.54 -0.02 -1.26 -4.88 135.00 132.93 2rlo n PRO 68 Ca 0.19 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2rlo n PRO 68 Cb 0.26 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 2rlo n PRO 68 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2rlo s ARG 69 N 5.78 4.21 0.02 -0.52 3.00 -1.26 -4.90 118.95 125.28 2rlo s ARG 69 Ca 1.06 2.31 0.10 0.00 0.00 0.00 0.00 55.73 59.20 2rlo s ARG 69 Cb -0.80 -3.45 -0.22 0.00 0.00 0.00 0.00 34.95 30.47 2rlo s ARG 69 CO 0.49 -0.68 0.89 0.00 0.00 0.00 0.00 175.30 176.01 2rlo h ALA 70 N 7.79 0.61 0.08 2.13 0.00 -1.90 -3.30 119.26 124.67 2rlo h ALA 70 Ca -0.42 -1.26 -0.27 0.00 0.00 0.00 0.00 54.91 52.96 2rlo h ALA 70 Cb 1.20 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2rlo h ALA 70 CO 0.92 1.46 -1.28 0.82 0.00 0.00 0.00 179.25 181.17 2rlo h ILE 71 N 0.00 1.43 -0.92 0.00 2.04 -1.91 -3.43 117.51 114.72 2rlo h ILE 71 Ca -0.18 -3.07 0.10 0.00 1.00 0.00 0.00 64.86 62.70 2rlo h ILE 71 Cb 1.92 2.84 -0.21 0.00 -0.74 0.00 0.00 36.82 40.63 2rlo h ILE 71 CO 0.10 0.87 -0.24 -0.44 0.00 0.00 0.00 178.15 178.44 2rlo s SER 72 N -6.91 -1.31 -0.12 1.72 0.01 -1.26 -5.01 113.70 100.82 2rlo s SER 72 Ca -0.04 0.72 0.10 0.00 1.31 0.00 0.00 55.95 58.04 2rlo s SER 72 Cb 0.08 2.06 0.50 0.00 0.21 0.00 0.00 66.02 68.87 2rlo s SER 72 CO 0.85 -0.24 1.31 0.00 0.41 0.00 0.00 173.24 175.58 2rlo n ALA 73 N 5.43 3.17 -2.29 1.44 0.00 -1.24 -4.55 120.51 122.47 2rlo n ALA 73 Ca -0.01 -1.14 -0.16 0.00 0.00 0.00 0.00 53.44 52.14 2rlo n ALA 73 Cb 0.52 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 2rlo n ALA 73 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2rlo s PHE 74 N -1.95 1.43 0.00 0.00 5.36 -1.26 -4.98 117.98 116.58 2rlo s PHE 74 Ca 0.34 -0.74 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2rlo s PHE 74 Cb 0.24 -0.73 0.00 0.00 -0.34 0.00 0.00 43.02 42.20 2rlo s PHE 74 CO 0.13 0.13 0.00 0.41 -1.46 0.00 0.00 175.22 174.43 2rlo n GLY 75 N -0.28 -1.93 2.32 13.12 0.00 -1.26 -4.99 105.19 112.17 2rlo n GLY 75 Ca -0.09 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 2rlo n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rlo n PRO 76 N 0.00 -2.80 -2.70 1.61 -0.04 -1.26 -4.76 135.00 125.06 2rlo n PRO 76 Ca 0.00 -1.14 -0.00 0.00 -0.04 0.00 0.00 63.50 62.32 2rlo n PRO 76 Cb 0.00 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2rlo n PRO 76 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2rlo n SER 77 N -4.42 -7.95 0.20 3.54 2.88 -1.26 -4.84 113.62 101.78 2rlo n SER 77 Ca 0.10 1.42 0.11 0.00 -1.33 0.00 0.00 58.87 59.17 2rlo n SER 77 Cb 0.40 -5.28 0.67 0.00 -0.75 0.00 0.00 64.21 59.25 2rlo n SER 77 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rlo h ALA 78 N 3.01 2.08 -0.41 -1.46 0.00 -1.97 -2.91 119.26 117.60 2rlo h ALA 78 Ca 0.00 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 2rlo h ALA 78 Cb 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.69 2rlo h ALA 78 CO 0.10 -0.15 1.47 0.43 0.00 0.00 0.00 179.25 181.10 2rlo n SER 79 N -4.45 7.16 -4.15 0.00 7.64 -1.26 -4.88 113.62 113.68 2rlo n SER 79 Ca -0.00 -2.98 -0.32 0.00 1.01 0.00 0.00 58.87 56.57 2rlo n SER 79 Cb 0.21 -1.35 -0.16 0.00 -1.01 0.00 0.00 64.21 61.89 2rlo n SER 79 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2rlo s GLY 80 N 0.87 1.34 -0.02 0.23 0.00 -1.10 -5.11 107.32 103.52 2rlo s GLY 80 Ca 0.60 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 44.25 2rlo s GLY 80 CO -0.12 0.06 -0.08 -0.56 0.00 0.00 0.00 173.10 172.40 2rlo s SER 81 N 0.93 1.03 -0.40 1.64 0.01 -1.26 -5.00 113.70 110.64 2rlo s SER 81 Ca -0.05 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.07 2rlo s SER 81 Cb -0.15 -0.26 0.15 0.00 0.21 0.00 0.00 66.02 65.97 2rlo s SER 81 CO -0.04 0.05 0.25 0.00 0.41 0.00 0.00 173.24 173.92 2rlo s ALA 82 N 0.19 1.50 0.00 1.44 0.00 -1.26 -5.03 121.76 118.59 2rlo s ALA 82 Ca -0.03 -2.27 0.00 0.00 0.00 0.00 0.00 51.96 49.66 2rlo s ALA 82 Cb -0.08 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2rlo s ALA 82 CO 0.00 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.10 2rlo n GLY 83 N 3.59 1.30 0.87 0.00 0.00 -1.26 -4.81 105.19 104.88 2rlo n GLY 83 Ca 0.15 -1.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 2rlo n GLY 83 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rlo n GLN 84 N 0.00 0.01 -3.15 1.61 -0.06 -1.26 -5.10 117.38 109.44 2rlo n GLN 84 Ca 0.00 0.01 0.06 0.00 -2.00 0.00 0.00 57.00 55.06 2rlo n GLN 84 Cb 0.00 -0.17 -0.01 0.00 -4.06 0.00 0.00 30.24 26.01 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2rlo s ALA 85 N -2.14 -4.03 -0.46 1.69 0.00 -1.26 -5.03 121.76 110.53 2rlo s ALA 85 Ca -0.01 1.37 0.03 0.00 0.00 0.00 0.00 51.96 53.35 2rlo s ALA 85 Cb 0.00 -2.76 0.59 0.00 0.00 0.00 0.00 23.12 20.95 2rlo s ALA 85 CO 0.01 -1.90 1.90 -1.91 0.00 0.00 0.00 175.76 173.85 2rlo n GLU 86 N 5.22 2.25 0.17 0.00 2.13 -1.26 -4.50 120.64 124.65 2rlo n GLU 86 Ca 0.04 -2.88 0.03 0.00 0.66 0.00 0.00 57.16 55.00 2rlo n GLU 86 Cb 0.57 -2.13 0.40 0.00 0.27 0.00 0.00 31.44 30.54 2rlo n GLU 86 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2rlo h GLU 87 N 1.12 0.09 -1.14 5.31 5.08 -1.89 -3.34 114.58 119.80 2rlo h GLU 87 Ca 0.60 -0.03 -0.38 0.00 -1.00 0.00 0.00 59.36 58.55 2rlo h GLU 87 Cb 2.42 -0.01 -0.29 0.00 0.50 0.00 0.00 28.75 31.37 2rlo h GLU 87 CO 1.13 0.34 -0.87 0.39 -1.00 0.00 0.00 179.01 179.00 2rlo n GLU 88 N -4.21 0.96 -3.80 2.33 1.02 -1.26 -4.21 120.64 111.47 2rlo n GLU 88 Ca -0.02 -2.74 -0.36 0.00 -0.02 0.00 0.00 57.16 54.02 2rlo n GLU 88 Cb 0.33 -1.41 -0.12 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.87 5.18 -0.28 1.62 0.01 -1.26 -5.08 114.94 113.27 2rlo s ASN 89 Ca 0.32 -1.71 -0.20 0.00 -0.71 0.00 0.00 52.86 50.56 2rlo s ASN 89 Cb 0.31 -1.81 -0.01 0.00 0.41 0.00 0.00 41.25 40.15 2rlo s ASN 89 CO -0.08 -0.44 0.64 -0.36 -1.51 0.00 0.00 177.10 175.34 2rlo s PHE 90 N 1.21 3.24 -0.01 2.20 0.40 -1.26 -5.04 117.98 118.72 2rlo s PHE 90 Ca 0.03 0.71 -0.00 0.00 -0.60 0.00 0.00 56.93 57.07 2rlo s PHE 90 Cb -0.22 -2.93 0.01 0.00 0.51 0.00 0.00 43.02 40.39 2rlo s PHE 90 CO -0.02 -0.41 0.03 -1.21 0.70 0.00 0.00 175.22 174.30 2rlo s GLU 91 N 2.58 0.00 0.04 0.44 8.01 -1.26 -2.89 118.70 125.61 2rlo s GLU 91 Ca 0.26 0.09 0.04 0.00 0.01 0.00 0.00 54.97 55.37 2rlo s GLU 91 Cb -0.15 -0.09 -0.02 0.00 -4.31 0.00 0.00 34.13 29.56 2rlo s GLU 91 CO 0.10 -0.07 -0.11 -0.59 0.01 0.00 0.00 175.26 174.61 2rlo s PHE 92 N 0.43 0.93 0.07 1.61 -0.71 -0.73 -4.61 117.98 114.96 2rlo s PHE 92 Ca -0.03 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 55.52 2rlo s PHE 92 Cb -0.05 -0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 41.17 2rlo s PHE 92 CO -0.01 -0.01 0.03 -0.51 -1.34 0.00 0.00 175.22 173.38 2rlo s LEU 93 N -1.20 3.58 -0.24 -1.99 1.43 0.16 -1.61 118.68 118.82 2rlo s LEU 93 Ca -0.03 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2rlo s LEU 93 Cb -0.08 -2.25 0.06 0.00 0.03 0.00 0.00 46.19 43.95 2rlo s LEU 93 CO 0.01 0.20 -0.08 -0.63 0.23 0.00 0.00 176.35 176.07 2rlo s ILE 94 N -1.29 1.82 -0.16 -0.59 -1.09 -0.09 -2.07 121.20 117.74 2rlo s ILE 94 Ca 0.26 -1.39 -0.09 0.00 -2.23 0.00 0.00 60.65 57.19 2rlo s ILE 94 Cb -0.12 -2.01 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 2rlo s ILE 94 CO 0.18 -0.05 0.15 -0.69 -1.23 0.00 0.00 174.94 173.29 2rlo s VAL 95 N 1.26 5.44 0.28 2.92 1.01 -0.32 0.12 120.40 131.11 2rlo s VAL 95 Ca -0.07 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2rlo s VAL 95 Cb -0.19 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2rlo s VAL 95 CO -0.06 0.52 0.39 -0.24 0.00 0.00 0.00 175.10 175.71 2rlo n SER 96 N 2.83 0.71 0.17 3.32 2.88 0.28 -0.96 113.62 122.85 2rlo n SER 96 Ca -0.17 -1.55 0.12 0.00 -1.33 0.00 0.00 58.87 55.93 2rlo n SER 96 Cb 0.53 -0.23 0.20 0.00 -0.75 0.00 0.00 64.21 63.96 2rlo n SER 96 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2rlo h SER 97 N -0.12 0.00 -0.75 -3.46 0.87 -1.83 -3.23 113.55 105.03 2rlo h SER 97 Ca -0.13 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.19 2rlo h SER 97 Cb 0.52 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.34 2rlo h SER 97 CO 0.16 0.01 0.29 1.07 -0.53 0.00 0.00 176.83 177.82 2rlo n THR 98 N -2.81 2.90 0.00 2.23 5.66 -1.26 -4.88 114.28 116.12 2rlo n THR 98 Ca 0.04 -1.59 0.00 0.00 -3.05 0.00 0.00 64.05 59.45 2rlo n THR 98 Cb 0.50 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.17 2.92 3.70 1.09 0.00 -1.22 -4.98 105.19 106.54 2rlo n GLY 99 Ca 0.41 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 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 2.38 -3.80 1.61 -0.06 -1.26 -4.69 117.38 109.57 2rlo n GLN 100 Ca 0.00 0.85 -0.27 0.00 -2.00 0.00 0.00 57.00 55.58 2rlo n GLN 100 Cb 0.00 -2.59 -0.17 0.00 -4.06 0.00 0.00 30.24 23.43 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 0.19 0.70 -0.48 1.69 2.01 -1.26 0.10 115.64 118.59 2rlo s THR 101 Ca 0.68 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 2rlo s THR 101 Cb -0.58 -0.99 0.06 0.00 0.01 0.00 0.00 72.50 71.01 2rlo s THR 101 CO 0.46 0.04 0.45 0.26 -0.69 0.00 0.00 174.62 175.14 2rlo s TRP 102 N 1.81 3.19 -0.33 4.92 0.51 0.12 -4.88 118.94 124.28 2rlo s TRP 102 Ca 0.01 -0.79 -0.20 0.00 -2.12 0.00 0.00 56.10 53.00 2rlo s TRP 102 Cb -0.15 -3.22 -0.00 0.00 -0.81 0.00 0.00 33.47 29.29 2rlo s TRP 102 CO -0.07 -0.84 0.61 -1.58 -0.51 0.00 0.00 176.95 174.56 2rlo s HIS 103 N 1.90 3.18 0.30 -1.98 2.46 -1.26 -0.91 115.29 118.98 2rlo s HIS 103 Ca 0.07 0.43 0.11 0.00 0.47 0.00 0.00 55.06 56.14 2rlo s HIS 103 Cb -0.22 -3.04 -0.05 0.00 -0.13 0.00 0.00 32.58 29.13 2rlo s HIS 103 CO 0.08 -0.54 -0.15 -0.06 -2.47 0.00 0.00 174.74 171.60 2rlo s PHE 104 N 2.62 2.36 -0.30 3.88 0.08 -0.63 -4.05 117.98 121.94 2rlo s PHE 104 Ca 0.24 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.93 2rlo s PHE 104 Cb -0.15 -1.13 0.09 0.00 -0.57 0.00 0.00 43.02 41.26 2rlo s PHE 104 CO 0.13 0.67 0.05 -2.00 -0.10 0.00 0.00 175.22 173.96 2rlo s GLU 105 N -3.56 1.17 0.12 0.44 2.12 -0.22 -1.78 118.70 117.00 2rlo s GLU 105 Ca 0.31 -1.31 -0.33 0.00 0.36 0.00 0.00 54.97 54.00 2rlo s GLU 105 Cb -0.03 -2.54 -0.13 0.00 0.26 0.00 0.00 34.13 31.70 2rlo s GLU 105 CO 0.16 -0.88 1.70 0.00 -0.54 0.00 0.00 175.26 175.70 2rlo n ALA 106 N 4.61 1.64 0.08 6.30 0.00 -1.14 -2.22 120.51 129.78 2rlo n ALA 106 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2rlo n ALA 106 Cb 0.43 -2.44 0.31 0.00 0.00 0.00 0.00 19.45 17.74 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 7.07 1.34 -3.75 0.00 0.00 -1.90 -3.43 119.26 118.58 2rlo h ALA 107 Ca -0.45 -0.27 -0.68 0.00 0.00 0.00 0.00 54.91 53.51 2rlo h ALA 107 Cb 1.24 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 2rlo h ALA 107 CO 0.92 0.45 -0.77 -1.12 0.00 0.00 0.00 179.25 178.73 2rlo s SER 108 N -6.85 4.11 0.30 0.00 0.01 -1.26 -5.03 113.70 104.98 2rlo s SER 108 Ca -0.06 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.83 2rlo s SER 108 Cb 0.15 -0.73 0.46 0.00 0.21 0.00 0.00 66.02 66.11 2rlo s SER 108 CO 0.75 0.22 1.77 -0.26 0.41 0.00 0.00 173.24 176.14 2rlo h PHE 109 N 4.11 0.57 -0.05 2.43 -1.00 -1.98 -2.37 116.94 118.66 2rlo h PHE 109 Ca -0.49 -0.10 -0.18 0.00 2.81 0.00 0.00 57.97 60.02 2rlo h PHE 109 Cb 1.16 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 2rlo h PHE 109 CO 0.57 0.65 -0.74 0.93 -1.61 0.00 0.00 178.31 178.12 2rlo h GLU 110 N 0.48 0.27 -0.44 1.51 3.07 -1.97 -3.23 114.58 114.28 2rlo h GLU 110 Ca 0.09 -0.23 -0.13 0.00 -0.50 0.00 0.00 59.36 58.58 2rlo h GLU 110 Cb 0.54 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 2rlo h GLU 110 CO 0.03 0.89 -0.24 1.49 -1.40 0.00 0.00 179.01 179.79 2rlo h GLU 111 N 0.18 0.90 -0.79 2.33 4.57 -1.90 -2.45 114.58 117.42 2rlo h GLU 111 Ca -0.03 -0.39 0.08 0.00 -1.18 0.00 0.00 59.36 57.85 2rlo h GLU 111 Cb 1.30 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.81 2rlo h GLU 111 CO 0.12 1.04 0.52 0.07 -1.18 0.00 0.00 179.01 179.57 2rlo h ARG 112 N 0.78 0.76 -0.03 1.92 -0.00 -1.45 0.71 114.38 117.07 2rlo h ARG 112 Ca 0.10 -0.05 -0.07 0.00 -0.00 0.00 0.00 59.98 59.96 2rlo h ARG 112 Cb 0.79 -0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 2rlo h ARG 112 CO 0.07 0.50 -0.26 -0.44 -0.00 0.00 0.00 179.97 179.84 2rlo h ASP 113 N 0.78 0.28 -0.35 0.08 3.32 -1.60 -2.12 116.42 116.82 2rlo h ASP 113 Ca 0.35 -0.70 0.06 0.00 0.02 0.00 0.00 57.03 56.76 2rlo h ASP 113 Cb 0.35 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 2rlo h ASP 113 CO -0.13 0.94 0.03 0.00 -1.72 0.00 0.00 179.24 178.36 2rlo h ALA 114 N 0.34 0.34 0.44 3.45 0.00 -0.93 0.35 119.26 123.25 2rlo h ALA 114 Ca -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2rlo h ALA 114 Cb 0.96 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2rlo h ALA 114 CO 0.05 -0.37 -0.25 -1.49 0.00 0.00 0.00 179.25 177.19 2rlo h TRP 115 N 0.14 -0.66 -0.69 0.00 4.06 -0.94 1.37 115.95 119.22 2rlo h TRP 115 Ca 0.17 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.22 2rlo h TRP 115 Cb 0.21 0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.56 2rlo h TRP 115 CO -0.22 -0.39 0.46 0.28 -3.56 0.00 0.00 178.44 175.01 2rlo h VAL 116 N -0.65 0.87 0.00 1.49 2.07 -1.00 0.32 116.25 119.35 2rlo h VAL 116 Ca -0.05 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 2rlo h VAL 116 Cb 0.52 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2rlo h VAL 116 CO 0.06 0.09 -0.76 1.56 0.02 0.00 0.00 177.57 178.54 2rlo h GLN 117 N 0.48 0.00 -0.14 1.57 4.20 0.36 -2.49 115.11 119.08 2rlo h GLN 117 Ca 0.33 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.92 2rlo h GLN 117 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2rlo h GLN 117 CO -0.11 0.68 -0.39 0.00 -0.67 0.00 0.00 178.83 178.34 2rlo h ALA 118 N 1.30 0.24 -0.02 3.87 0.00 0.48 0.17 119.26 125.30 2rlo h ALA 118 Ca -0.02 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2rlo h ALA 118 Cb 1.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2rlo h ALA 118 CO 0.09 0.33 -0.00 0.82 0.00 0.00 0.00 179.25 180.49 2rlo h ILE 119 N 0.14 1.27 -0.18 0.00 5.03 -0.61 -0.23 117.51 122.93 2rlo h ILE 119 Ca -0.01 -0.80 -0.06 0.00 -0.12 0.00 0.00 64.86 63.88 2rlo h ILE 119 Cb 1.00 1.76 -0.01 0.00 -3.03 0.00 0.00 36.82 36.54 2rlo h ILE 119 CO 0.08 0.21 -0.14 1.05 -0.68 0.00 0.00 178.15 178.67 2rlo h GLU 120 N -0.28 0.29 -0.24 2.37 -0.00 -1.51 -1.94 114.58 113.27 2rlo h GLU 120 Ca 0.01 -0.07 -0.04 0.00 -0.00 0.00 0.00 59.36 59.25 2rlo h GLU 120 Cb 0.34 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.05 2rlo h GLU 120 CO 0.00 0.44 -0.01 1.03 -0.00 0.00 0.00 179.01 180.47 2rlo h SER 121 N 0.27 0.43 0.01 3.06 0.87 -0.45 -1.61 113.55 116.13 2rlo h SER 121 Ca 0.05 -0.32 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2rlo h SER 121 Cb 0.42 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2rlo h SER 121 CO 0.03 0.65 -0.09 1.56 -0.53 0.00 0.00 176.83 178.44 2rlo h GLN 122 N 0.20 0.21 -0.31 2.24 7.50 -0.74 -1.65 115.11 122.57 2rlo h GLN 122 Ca 0.07 -0.04 -0.17 0.00 0.50 0.00 0.00 58.65 59.01 2rlo h GLN 122 Cb 0.43 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.92 2rlo h GLN 122 CO 0.01 0.32 -0.47 0.82 -1.50 0.00 0.00 178.83 178.01 2rlo h ILE 123 N 0.20 1.28 -0.23 2.54 2.04 -1.10 -0.91 117.51 121.34 2rlo h ILE 123 Ca 0.04 -1.66 -0.12 0.00 1.00 0.00 0.00 64.86 64.13 2rlo h ILE 123 Cb 0.30 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2rlo h ILE 123 CO 0.02 0.54 -0.35 0.25 0.00 0.00 0.00 178.15 178.61 2rlo h LEU 124 N 0.65 0.52 -0.28 1.44 5.85 -0.77 -0.15 115.31 122.57 2rlo h LEU 124 Ca 0.03 -0.21 -0.20 0.00 0.84 0.00 0.00 57.88 58.35 2rlo h LEU 124 Cb 1.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2rlo h LEU 124 CO 0.10 0.83 -0.88 0.00 -0.34 0.00 0.00 178.44 178.16 2rlo h ALA 125 N 1.20 0.53 0.01 1.25 0.00 -1.24 -3.04 119.26 117.97 2rlo h ALA 125 Ca 0.05 -0.73 -0.20 0.00 0.00 0.00 0.00 54.91 54.02 2rlo h ALA 125 Cb 0.81 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2rlo h ALA 125 CO 0.07 0.94 -0.94 0.77 0.00 0.00 0.00 179.25 180.09 2rlo h SER 126 N 0.09 0.10 -0.22 0.00 0.02 -1.00 -3.29 113.55 109.25 2rlo h SER 126 Ca -0.04 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2rlo h SER 126 Cb 1.51 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 2rlo h SER 126 CO 0.13 0.98 0.02 -0.07 -1.14 0.00 0.00 176.83 176.75 2rlo h LEU 127 N 0.03 0.37 0.00 5.07 3.38 -1.04 -3.49 115.31 119.63 2rlo h LEU 127 Ca -0.03 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2rlo h LEU 127 Cb 1.62 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.27 2rlo h LEU 127 CO 0.13 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.22