#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 4.06 -0.05 5.13 0.00 -1.26 -5.08 121.76 124.56 2rlo s ALA 2 Ca 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.13 2rlo s ALA 2 Cb 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.22 2rlo s ALA 2 CO 0.00 -0.26 -0.10 0.42 0.00 0.00 0.00 175.76 175.82 2rlo s ILE 3 N -2.53 0.96 0.21 0.00 1.09 -1.26 -4.94 121.20 114.73 2rlo s ILE 3 Ca 0.46 -0.40 -0.32 0.00 -1.10 0.00 0.00 60.65 59.29 2rlo s ILE 3 Cb -0.02 -0.88 -0.12 0.00 -1.06 0.00 0.00 42.46 40.38 2rlo s ILE 3 CO 0.27 0.31 1.70 -2.84 -0.10 0.00 0.00 174.94 174.28 2rlo s PRO 4 N 0.56 4.13 0.07 2.79 0.02 -1.26 -0.92 135.00 140.39 2rlo s PRO 4 Ca -0.11 2.59 0.22 0.00 0.02 0.00 0.00 61.00 63.73 2rlo s PRO 4 Cb -0.14 -3.07 -0.19 0.00 0.02 0.00 0.00 34.50 31.12 2rlo s PRO 4 CO 0.02 -0.74 0.73 -0.89 -0.33 0.00 0.00 177.00 175.79 2rlo n ILE 5 N 3.82 0.26 0.00 2.83 2.08 0.69 -4.86 119.36 124.17 2rlo n ILE 5 Ca 0.15 -0.51 0.00 0.00 0.56 0.00 0.00 62.75 62.95 2rlo n ILE 5 Cb 0.36 -0.13 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 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 -2.42 0.00 -3.84 0.38 3.00 -0.75 -4.85 118.16 109.68 2rlo n LYS 6 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.00 2rlo n LYS 6 Cb 0.56 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.43 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 1.13 0.13 1.64 -2.07 -1.26 0.96 119.66 120.20 2rlo s GLN 7 Ca 0.00 -0.59 -0.11 0.00 -1.82 0.00 0.00 55.36 52.84 2rlo s GLN 7 Cb 0.00 -2.18 0.04 0.00 -1.09 0.00 0.00 33.01 29.78 2rlo s GLN 7 CO 0.00 -0.56 0.53 -1.13 -1.32 0.00 0.00 175.29 172.81 2rlo n SER 8 N 4.90 -1.05 -4.81 12.60 3.41 0.07 -4.98 113.62 123.76 2rlo n SER 8 Ca -0.10 -1.61 -0.34 0.00 -0.26 0.00 0.00 58.87 56.56 2rlo n SER 8 Cb 0.46 1.71 -0.06 0.00 -0.26 0.00 0.00 64.21 66.06 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 -4.23 3.30 0.00 7.33 0.08 -1.26 -0.22 117.98 122.99 2rlo s PHE 9 Ca 0.12 1.62 -0.07 0.00 0.12 0.00 0.00 56.93 58.72 2rlo s PHE 9 Cb -0.02 -2.90 -0.00 0.00 -0.57 0.00 0.00 43.02 39.53 2rlo s PHE 9 CO 0.04 -0.20 0.12 -0.51 -0.10 0.00 0.00 175.22 174.57 2rlo s LEU 10 N -3.11 1.61 0.03 -0.37 1.02 -0.61 -4.43 118.68 112.82 2rlo s LEU 10 Ca 0.62 -0.22 -0.20 0.00 0.02 0.00 0.00 54.13 54.34 2rlo s LEU 10 Cb -0.11 0.63 -0.06 0.00 0.02 0.00 0.00 46.19 46.66 2rlo s LEU 10 CO 0.15 -0.36 0.58 -0.76 0.02 0.00 0.00 176.35 175.99 2rlo s LEU 11 N -1.37 4.47 -0.10 1.79 1.02 -0.93 0.66 118.68 124.22 2rlo s LEU 11 Ca -0.15 1.20 0.00 0.00 0.02 0.00 0.00 54.13 55.21 2rlo s LEU 11 Cb -0.08 -2.91 0.02 0.00 0.02 0.00 0.00 46.19 43.25 2rlo s LEU 11 CO 0.01 0.18 -0.09 -0.75 0.02 0.00 0.00 176.35 175.73 2rlo s LYS 12 N -0.61 1.55 0.52 1.70 2.36 -0.64 -0.29 119.74 124.33 2rlo s LYS 12 Ca 0.30 -0.29 -0.20 0.00 -2.55 0.00 0.00 55.97 53.23 2rlo s LYS 12 Cb -0.19 -1.52 -0.09 0.00 -1.05 0.00 0.00 37.83 34.98 2rlo s LYS 12 CO 0.18 -0.19 0.65 0.54 1.55 0.00 0.00 175.35 178.09 2rlo n ARG 13 N 4.63 0.69 -2.80 4.03 1.74 -1.26 -1.20 116.66 122.49 2rlo n ARG 13 Ca -0.16 0.26 -0.09 0.00 -0.77 0.00 0.00 57.85 57.09 2rlo n ARG 13 Cb 0.50 -1.77 0.03 0.00 -1.02 0.00 0.00 32.46 30.21 2rlo n ARG 13 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2rlo n SER 14 N 0.49 -2.63 0.00 0.55 7.64 0.32 -4.82 113.62 115.17 2rlo n SER 14 Ca 0.12 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.79 2rlo n SER 14 Cb 0.45 1.56 0.00 0.00 -1.01 0.00 0.00 64.21 65.21 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 1.75 -1.97 3.84 0.23 0.00 -1.26 -4.63 105.19 103.14 2rlo n GLY 15 Ca 0.11 0.76 -0.06 0.00 0.00 0.00 0.00 46.02 46.84 2rlo n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rlo s ASN 16 N -4.00 -0.03 0.01 1.61 2.47 -1.05 -5.02 114.94 108.93 2rlo s ASN 16 Ca 0.00 -0.86 -0.22 0.00 0.42 0.00 0.00 52.86 52.20 2rlo s ASN 16 Cb 0.00 0.67 -0.18 0.00 -1.45 0.00 0.00 41.25 40.30 2rlo s ASN 16 CO 0.00 -1.33 1.25 -1.28 -3.72 0.00 0.00 177.10 172.03 2rlo h SER 17 N 2.00 0.27 -0.12 -4.21 0.87 -2.02 -2.76 113.55 107.57 2rlo h SER 17 Ca -0.29 -0.55 -0.05 0.00 -1.23 0.00 0.00 61.79 59.67 2rlo h SER 17 Cb 1.24 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2rlo h SER 17 CO 0.36 0.77 -0.07 -0.07 -0.53 0.00 0.00 176.83 177.29 2rlo h LEU 18 N -0.22 0.39 -6.89 2.23 4.07 -2.07 -3.34 115.31 109.48 2rlo h LEU 18 Ca 0.00 -0.08 -0.61 0.00 0.08 0.00 0.00 57.88 57.27 2rlo h LEU 18 Cb 0.72 -0.10 -0.40 0.00 1.08 0.00 0.00 40.66 41.95 2rlo h LEU 18 CO 0.03 0.51 -0.72 0.21 -1.08 0.00 0.00 178.44 177.39 2rlo s ASN 19 N -6.80 3.61 0.69 -0.43 2.47 -1.21 -5.11 114.94 108.16 2rlo s ASN 19 Ca -0.07 -3.30 -0.14 0.00 0.42 0.00 0.00 52.86 49.77 2rlo s ASN 19 Cb 0.15 -1.17 0.01 0.00 -1.45 0.00 0.00 41.25 38.80 2rlo s ASN 19 CO 0.75 -0.16 1.11 -0.54 -3.72 0.00 0.00 177.10 174.55 2rlo s LYS 20 N -0.55 2.63 -0.30 0.43 1.02 -1.05 -2.52 119.74 119.40 2rlo s LYS 20 Ca 0.25 1.38 -0.02 0.00 0.02 0.00 0.00 55.97 57.60 2rlo s LYS 20 Cb -0.08 -1.93 0.19 0.00 -0.52 0.00 0.00 37.83 35.49 2rlo s LYS 20 CO -0.12 -1.38 0.82 -2.00 -0.92 0.00 0.00 175.35 171.74 2rlo s GLU 21 N -4.22 0.36 -0.07 1.68 2.12 -1.26 -4.92 118.70 112.39 2rlo s GLU 21 Ca 0.67 0.32 -0.14 0.00 0.36 0.00 0.00 54.97 56.18 2rlo s GLU 21 Cb -0.21 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.29 2rlo s GLU 21 CO 0.44 -0.66 0.35 -1.58 -0.54 0.00 0.00 175.26 173.27 2rlo s TRP 22 N 2.84 3.63 0.25 5.30 0.52 -1.26 0.12 118.94 130.33 2rlo s TRP 22 Ca 0.19 0.82 0.08 0.00 0.02 0.00 0.00 56.10 57.21 2rlo s TRP 22 Cb -0.06 -2.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.95 2rlo s TRP 22 CO -0.24 0.52 0.09 0.15 0.02 0.00 0.00 176.95 177.49 2rlo s LYS 23 N -0.54 2.61 -0.10 4.98 3.01 -0.34 -4.71 119.74 124.64 2rlo s LYS 23 Ca 0.21 -1.21 -0.30 0.00 -1.01 0.00 0.00 55.97 53.67 2rlo s LYS 23 Cb -0.15 -2.38 -0.04 0.00 -1.01 0.00 0.00 37.83 34.26 2rlo s LYS 23 CO 0.09 0.39 1.49 0.15 0.51 0.00 0.00 175.35 177.98 2rlo s LYS 24 N -3.65 4.21 0.25 1.68 -0.14 -1.26 -1.63 119.74 119.20 2rlo s LYS 24 Ca 0.32 1.97 0.01 0.00 -1.36 0.00 0.00 55.97 56.90 2rlo s LYS 24 Cb -0.07 -3.88 -0.00 0.00 -1.68 0.00 0.00 37.83 32.19 2rlo s LYS 24 CO 0.22 -0.78 0.02 1.63 -0.76 0.00 0.00 175.35 175.68 2rlo n LYS 25 N 6.86 1.20 -3.62 1.68 4.76 0.21 -4.41 118.16 124.84 2rlo n LYS 25 Ca 0.16 -1.91 -0.22 0.00 -2.87 0.00 0.00 58.31 53.47 2rlo n LYS 25 Cb 0.44 0.64 -0.17 0.00 -1.84 0.00 0.00 35.03 34.10 2rlo n LYS 25 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2rlo s TYR 26 N -2.06 0.03 0.09 2.13 6.14 -0.30 -1.57 117.35 121.80 2rlo s TYR 26 Ca 0.03 0.09 0.08 0.00 0.64 0.00 0.00 57.07 57.91 2rlo s TYR 26 Cb 0.00 -0.51 -0.04 0.00 0.42 0.00 0.00 41.96 41.83 2rlo s TYR 26 CO 0.02 -0.39 -0.18 0.08 0.64 0.00 0.00 175.55 175.73 2rlo s VAL 27 N 2.20 2.86 -0.16 3.14 1.01 0.70 0.16 120.40 130.31 2rlo s VAL 27 Ca 0.04 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 2rlo s VAL 27 Cb -0.14 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 34.02 2rlo s VAL 27 CO -0.07 0.19 0.07 -0.89 0.00 0.00 0.00 175.10 174.40 2rlo s THR 28 N -1.07 0.06 -0.35 3.92 2.01 0.87 -0.75 115.64 120.33 2rlo s THR 28 Ca 0.17 -0.17 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 2rlo s THR 28 Cb -0.11 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2rlo s THR 28 CO 0.09 -0.19 0.64 -0.22 -0.69 0.00 0.00 174.62 174.24 2rlo s LEU 29 N 2.08 4.24 0.29 4.42 1.98 0.27 -2.37 118.68 129.59 2rlo s LEU 29 Ca 0.02 0.17 0.06 0.00 -2.89 0.00 0.00 54.13 51.50 2rlo s LEU 29 Cb -0.16 -2.79 -0.03 0.00 0.66 0.00 0.00 46.19 43.88 2rlo s LEU 29 CO -0.08 -0.59 0.33 -0.55 -1.89 0.00 0.00 176.35 173.57 2rlo s SER 30 N 1.78 5.79 0.00 3.68 0.15 -0.98 0.25 113.70 124.36 2rlo s SER 30 Ca 0.25 -0.21 0.20 0.00 0.70 0.00 0.00 55.95 56.89 2rlo s SER 30 Cb -0.14 -1.37 1.21 0.00 -1.71 0.00 0.00 66.02 64.00 2rlo s SER 30 CO 0.15 -0.22 1.68 -1.54 1.20 0.00 0.00 173.24 174.51 2rlo n SER 31 N -1.40 0.00 -1.63 5.45 3.41 -0.10 -3.38 113.62 115.97 2rlo n SER 31 Ca -0.05 -1.06 -0.07 0.00 -0.26 0.00 0.00 58.87 57.43 2rlo n SER 31 Cb 0.58 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.70 2rlo n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2rlo n ASN 32 N -0.87 3.71 -3.82 4.04 3.02 -1.26 -4.87 115.26 115.20 2rlo n ASN 32 Ca 0.15 -2.86 -0.27 0.00 -0.03 0.00 0.00 54.58 51.57 2rlo n ASN 32 Cb 0.07 -0.68 0.03 0.00 -0.61 0.00 0.00 39.78 38.60 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rlo n GLY 33 N -0.17 -0.45 2.83 7.41 0.00 -1.22 -4.94 105.19 108.65 2rlo n GLY 33 Ca 0.30 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.40 0.18 -0.25 1.61 2.19 -1.25 -1.53 117.98 115.53 2rlo s PHE 34 Ca 0.48 0.03 -0.04 0.00 0.33 0.00 0.00 56.93 57.74 2rlo s PHE 34 Cb -0.24 -0.27 0.01 0.00 -1.31 0.00 0.00 43.02 41.21 2rlo s PHE 34 CO 0.81 -0.08 -0.02 -1.17 1.83 0.00 0.00 175.22 176.59 2rlo s LEU 35 N 0.74 3.22 0.08 6.12 2.96 -0.92 -2.32 118.68 128.57 2rlo s LEU 35 Ca -0.07 -0.67 0.08 0.00 -0.22 0.00 0.00 54.13 53.25 2rlo s LEU 35 Cb -0.10 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2rlo s LEU 35 CO -0.02 -0.10 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.97 2rlo s LEU 36 N 1.42 2.65 -0.14 -0.68 1.02 -1.00 0.08 118.68 122.02 2rlo s LEU 36 Ca 0.03 -0.50 -0.07 0.00 0.02 0.00 0.00 54.13 53.60 2rlo s LEU 36 Cb -0.16 -1.52 0.05 0.00 0.02 0.00 0.00 46.19 44.58 2rlo s LEU 36 CO -0.03 0.22 0.34 -0.72 0.02 0.00 0.00 176.35 176.18 2rlo s TYR 37 N -1.04 -0.49 0.30 0.29 1.13 0.54 -0.09 117.35 118.00 2rlo s TYR 37 Ca 0.16 1.07 0.10 0.00 -1.41 0.00 0.00 57.07 57.00 2rlo s TYR 37 Cb -0.11 0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 2rlo s TYR 37 CO 0.08 -0.30 -0.10 -1.01 -2.51 0.00 0.00 175.55 171.71 2rlo s HIS 38 N 1.42 2.45 0.36 -3.49 0.09 0.12 -1.22 115.29 115.02 2rlo s HIS 38 Ca -0.09 -0.36 0.14 0.00 -0.00 0.00 0.00 55.06 54.75 2rlo s HIS 38 Cb -0.09 -1.21 0.98 0.00 -0.00 0.00 0.00 32.58 32.25 2rlo s HIS 38 CO -0.11 0.62 1.78 -1.35 -0.00 0.00 0.00 174.74 175.68 2rlo h PRO 39 N 2.05 0.50 0.00 8.40 0.11 -1.84 -0.79 132.00 140.43 2rlo h PRO 39 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2rlo h PRO 39 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2rlo h PRO 39 CO 0.63 0.33 0.00 0.45 -0.21 0.00 0.00 178.00 179.21 2rlo n SER 40 N -4.69 0.00 -0.10 -2.05 2.88 -1.26 -3.82 113.62 104.58 2rlo n SER 40 Ca 0.24 -0.88 -0.12 0.00 -1.33 0.00 0.00 58.87 56.78 2rlo n SER 40 Cb 0.76 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.88 1.29 -0.51 2.46 5.03 -1.88 -2.55 117.51 122.22 2rlo h ILE 41 Ca 0.00 -1.14 0.15 0.00 -0.12 0.00 0.00 64.86 63.75 2rlo h ILE 41 Cb 0.00 1.44 -0.02 0.00 -3.03 0.00 0.00 36.82 35.21 2rlo h ILE 41 CO 0.00 0.36 0.52 -0.55 -0.68 0.00 0.00 178.15 177.80 2rlo h ASN 42 N 0.32 0.00 0.05 1.72 -1.07 -1.97 0.40 115.58 115.03 2rlo h ASN 42 Ca 0.07 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.17 2rlo h ASN 42 Cb 0.58 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.85 2rlo h ASN 42 CO 0.03 0.00 -1.10 0.44 0.07 0.00 0.00 177.43 176.88 2rlo h ASP 43 N 0.00 0.87 0.05 6.14 5.19 -1.69 -1.83 116.42 125.15 2rlo h ASP 43 Ca 0.24 -0.78 -0.00 0.00 -0.62 0.00 0.00 57.03 55.87 2rlo h ASP 43 Cb 1.27 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.51 2rlo h ASP 43 CO -0.00 1.55 -0.03 0.22 -3.12 0.00 0.00 179.24 177.86 2rlo h TYR 44 N 0.30 -0.07 0.64 4.55 3.20 -0.21 0.95 116.97 126.34 2rlo h TYR 44 Ca -0.15 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 2rlo h TYR 44 Cb 1.77 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 40.05 2rlo h TYR 44 CO 0.11 0.44 -0.39 0.82 -1.64 0.00 0.00 178.16 177.50 2rlo h ILE 45 N -0.61 0.00 0.00 1.81 2.04 -0.77 -3.09 117.51 116.90 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 0.53 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 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 -0.97 0.00 -3.50 1.37 3.86 -1.46 -3.48 115.15 110.97 2rlo h HIS 46 Ca -0.09 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2rlo h HIS 46 Cb 0.78 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.25 2rlo h HIS 46 CO -0.06 0.30 -0.03 0.45 0.86 0.00 0.00 177.93 179.46 2rlo n SER 47 N -3.39 -3.18 -3.63 2.45 2.88 0.30 -5.02 113.62 104.03 2rlo n SER 47 Ca 0.00 -0.04 -0.20 0.00 -1.33 0.00 0.00 58.87 57.31 2rlo n SER 47 Cb 0.51 -1.84 -0.16 0.00 -0.75 0.00 0.00 64.21 61.97 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 -3.01 -0.18 -0.19 2.46 -4.23 0.63 -4.98 115.64 106.14 2rlo s THR 48 Ca 0.02 0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 2rlo s THR 48 Cb -0.00 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.48 2rlo s THR 48 CO 0.16 0.02 0.05 1.41 -0.54 0.00 0.00 174.62 175.72 2rlo n HIS 49 N 5.31 -2.32 -3.42 3.99 -0.00 -1.26 -4.49 115.22 113.03 2rlo n HIS 49 Ca -0.05 1.02 -0.23 0.00 -0.00 0.00 0.00 57.72 58.46 2rlo n HIS 49 Cb 0.50 -2.99 -0.10 0.00 -0.00 0.00 0.00 29.99 27.39 2rlo n HIS 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2rlo s GLY 50 N -1.10 0.39 0.43 -1.41 0.00 -1.26 -3.67 107.32 100.71 2rlo s GLY 50 Ca 0.02 -1.35 -0.24 0.00 0.00 0.00 0.00 44.72 43.14 2rlo s GLY 50 CO 0.46 2.41 1.21 1.25 0.00 0.00 0.00 173.10 178.43 2rlo s LYS 51 N 1.34 3.87 -0.02 2.90 2.47 -0.36 -4.73 119.74 125.21 2rlo s LYS 51 Ca 0.17 1.90 0.04 0.00 -1.56 0.00 0.00 55.97 56.52 2rlo s LYS 51 Cb -0.19 -2.57 -0.01 0.00 -1.46 0.00 0.00 37.83 33.61 2rlo s LYS 51 CO -0.04 -0.49 -0.13 -1.83 0.16 0.00 0.00 175.35 173.01 2rlo s GLU 52 N -2.47 1.20 -0.16 4.03 -1.05 -1.26 -0.34 118.70 118.66 2rlo s GLU 52 Ca 0.60 -0.46 0.01 0.00 -0.15 0.00 0.00 54.97 54.97 2rlo s GLU 52 Cb -0.32 -1.12 0.02 0.00 -0.44 0.00 0.00 34.13 32.27 2rlo s GLU 52 CO 0.40 0.23 -0.18 1.41 0.95 0.00 0.00 175.26 178.07 2rlo s MET 53 N -0.10 2.73 0.25 -4.83 1.75 0.11 -4.96 119.30 114.25 2rlo s MET 53 Ca 0.01 -0.73 -0.31 0.00 -1.25 0.00 0.00 55.69 53.41 2rlo s MET 53 Cb -0.07 -2.38 -0.13 0.00 2.84 0.00 0.00 34.83 35.09 2rlo s MET 53 CO 0.00 -0.20 1.54 -0.40 -0.65 0.00 0.00 175.02 175.32 2rlo n ASP 54 N 4.61 3.40 -2.02 1.11 5.75 -1.26 -2.17 116.55 125.97 2rlo n ASP 54 Ca -0.19 1.13 -0.13 0.00 -0.01 0.00 0.00 54.79 55.58 2rlo n ASP 54 Cb 0.50 -1.51 0.23 0.00 -1.03 0.00 0.00 41.12 39.31 2rlo n ASP 54 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2rlo n LEU 55 N 2.53 6.10 -0.02 -2.12 4.77 -0.58 -4.39 117.00 123.28 2rlo n LEU 55 Ca 0.11 -3.21 -0.19 0.00 -0.03 0.00 0.00 56.01 52.70 2rlo n LEU 55 Cb 0.34 -0.77 -0.13 0.00 -2.33 0.00 0.00 43.42 40.52 2rlo n LEU 55 CO 0.63 0.87 -0.06 0.25 -1.33 0.00 0.00 177.39 177.75 2rlo h LEU 56 N 1.86 0.24 -5.56 2.23 6.46 -1.88 -3.23 115.31 115.43 2rlo h LEU 56 Ca 0.40 -0.88 -0.48 0.00 -0.12 0.00 0.00 57.88 56.80 2rlo h LEU 56 Cb 2.45 -0.08 -0.40 0.00 -0.73 0.00 0.00 40.66 41.89 2rlo h LEU 56 CO 0.84 1.36 -1.07 0.54 -0.62 0.00 0.00 178.44 179.48 2rlo n ARG 57 N -4.25 1.57 -4.17 1.25 1.74 -1.26 -4.68 116.66 106.85 2rlo n ARG 57 Ca -0.18 -3.69 -0.23 0.00 -0.77 0.00 0.00 57.85 52.98 2rlo n ARG 57 Cb 0.73 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 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 -3.15 3.54 0.10 0.55 -4.23 -1.26 -4.08 115.64 107.12 2rlo s THR 58 Ca 0.39 -1.71 0.07 0.00 -1.18 0.00 0.00 61.69 59.26 2rlo s THR 58 Cb 0.36 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 2rlo s THR 58 CO -0.07 -0.30 -0.17 0.42 -0.54 0.00 0.00 174.62 173.95 2rlo s THR 59 N -2.31 1.48 -0.08 3.99 -4.23 -0.27 -4.95 115.64 109.27 2rlo s THR 59 Ca 0.34 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 2rlo s THR 59 Cb -0.06 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.37 2rlo s THR 59 CO 0.22 -0.20 -0.08 0.54 -0.54 0.00 0.00 174.62 174.56 2rlo s VAL 60 N -1.47 0.96 0.13 2.29 0.11 -1.26 -0.22 120.40 120.94 2rlo s VAL 60 Ca 0.05 -0.31 -0.19 0.00 -2.93 0.00 0.00 61.98 58.60 2rlo s VAL 60 Cb -0.09 -0.94 0.05 0.00 -1.53 0.00 0.00 36.38 33.87 2rlo s VAL 60 CO 0.04 0.34 0.47 -1.59 -3.33 0.00 0.00 175.10 171.03 2rlo s LYS 61 N 1.23 1.13 0.58 1.54 -2.85 -0.89 -4.94 119.74 115.54 2rlo s LYS 61 Ca -0.05 -0.58 -0.14 0.00 -1.00 0.00 0.00 55.97 54.21 2rlo s LYS 61 Cb -0.14 0.51 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 2rlo s LYS 61 CO -0.02 -0.46 1.02 0.14 0.10 0.00 0.00 175.35 176.13 2rlo s VAL 62 N -3.63 4.49 -0.48 1.79 -7.23 -1.26 0.55 120.40 114.63 2rlo s VAL 62 Ca 0.01 1.00 -0.26 0.00 -1.81 0.00 0.00 61.98 60.92 2rlo s VAL 62 Cb 0.01 -3.72 -0.25 0.00 0.56 0.00 0.00 36.38 32.98 2rlo s VAL 62 CO -0.11 -0.87 1.79 -0.81 -0.31 0.00 0.00 175.10 174.79 2rlo n PRO 63 N -2.24 0.85 -3.48 4.82 -0.04 -1.25 -4.17 135.00 129.49 2rlo n PRO 63 Ca 0.07 -1.51 -0.23 0.00 -0.04 0.00 0.00 63.50 61.78 2rlo n PRO 63 Cb 0.54 -2.80 0.05 0.00 -0.04 0.00 0.00 33.50 31.24 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 4.81 -1.09 3.08 0.55 0.00 -1.26 -5.02 105.19 106.25 2rlo n GLY 64 Ca 0.48 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.91 2rlo n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rlo s LYS 65 N -5.11 0.57 0.90 1.61 2.20 -1.26 -5.15 119.74 113.51 2rlo s LYS 65 Ca 0.41 -0.95 -0.11 0.00 -0.36 0.00 0.00 55.97 54.95 2rlo s LYS 65 Cb -0.11 -0.10 0.11 0.00 -1.51 0.00 0.00 37.83 36.22 2rlo s LYS 65 CO 0.81 -0.01 0.99 0.54 -0.36 0.00 0.00 175.35 177.31 2rlo n ARG 66 N 0.88 -0.31 -1.66 4.03 5.12 -1.26 -4.83 116.66 118.63 2rlo n ARG 66 Ca -0.19 -0.03 -0.50 0.00 -1.93 0.00 0.00 57.85 55.21 2rlo n ARG 66 Cb 0.57 -2.26 -0.05 0.00 -1.16 0.00 0.00 32.46 29.56 2rlo n ARG 66 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2rlo n PRO 67 N -3.48 1.90 -2.11 5.56 -0.04 -1.26 -4.87 135.00 130.70 2rlo n PRO 67 Ca 0.11 0.68 -0.35 0.00 -0.04 0.00 0.00 63.50 63.89 2rlo n PRO 67 Cb 0.52 -2.56 -0.04 0.00 -0.04 0.00 0.00 33.50 31.38 2rlo n PRO 67 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2rlo s PRO 68 N 4.32 2.70 -0.41 0.54 0.04 -1.26 -4.85 135.00 136.08 2rlo s PRO 68 Ca 0.96 0.19 0.06 0.00 0.04 0.00 0.00 61.00 62.25 2rlo s PRO 68 Cb -0.76 -4.61 0.21 0.00 0.04 0.00 0.00 34.50 29.38 2rlo s PRO 68 CO 0.53 -2.84 0.45 0.54 0.04 0.00 0.00 177.00 175.72 2rlo n ARG 69 N 9.10 0.43 -0.06 4.56 5.12 -1.26 -4.96 116.66 129.59 2rlo n ARG 69 Ca 0.25 -3.09 -0.11 0.00 -1.93 0.00 0.00 57.85 52.97 2rlo n ARG 69 Cb 0.50 -1.46 0.02 0.00 -1.16 0.00 0.00 32.46 30.36 2rlo n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rlo h ALA 70 N 4.88 0.66 -0.45 7.54 0.00 -2.03 -3.05 119.26 126.81 2rlo h ALA 70 Ca 0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2rlo h ALA 70 Cb 0.91 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2rlo h ALA 70 CO 0.39 0.67 0.19 0.82 0.00 0.00 0.00 179.25 181.32 2rlo h ILE 71 N 0.62 1.17 -3.84 0.00 2.04 -2.02 -3.49 117.51 112.00 2rlo h ILE 71 Ca 0.04 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2rlo h ILE 71 Cb 1.00 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2rlo h ILE 71 CO 0.10 0.20 -0.85 -1.20 0.00 0.00 0.00 178.15 176.39 2rlo n SER 72 N -4.37 -8.44 -1.27 1.72 7.64 -1.15 -4.80 113.62 102.95 2rlo n SER 72 Ca 0.03 1.22 0.05 0.00 1.01 0.00 0.00 58.87 61.18 2rlo n SER 72 Cb 0.14 -4.53 0.25 0.00 -1.01 0.00 0.00 64.21 59.06 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 1.09 3.16 -1.47 -0.43 0.00 -1.26 -5.03 120.51 116.56 2rlo n ALA 73 Ca 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 53.44 52.40 2rlo n ALA 73 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 2rlo n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2rlo n PHE 74 N 0.52 -4.00 0.00 0.00 7.35 -1.26 -5.08 117.46 114.99 2rlo n PHE 74 Ca 0.17 2.19 0.00 0.00 -0.76 0.00 0.00 57.45 59.05 2rlo n PHE 74 Cb 0.75 -3.50 0.00 0.00 0.35 0.00 0.00 39.48 37.08 2rlo n PHE 74 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2rlo n GLY 75 N -3.43 2.95 3.51 7.13 0.00 -1.26 -4.97 105.19 109.12 2rlo n GLY 75 Ca -0.05 -1.59 -0.44 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 0.70 1.09 -2.09 1.61 -0.02 -1.26 -4.94 135.00 130.09 2rlo n PRO 76 Ca 0.00 0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 2rlo n PRO 76 Cb 0.00 -2.77 0.19 0.00 -0.02 0.00 0.00 33.50 30.90 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 9.17 3.08 0.17 2.55 1.04 -1.26 -5.00 113.70 123.45 2rlo s SER 77 Ca 1.08 -0.00 0.03 0.00 0.48 0.00 0.00 55.95 57.54 2rlo s SER 77 Cb -0.61 -0.00 0.01 0.00 0.10 0.00 0.00 66.02 65.51 2rlo s SER 77 CO 0.40 -2.73 1.39 0.00 0.98 0.00 0.00 173.24 173.27 2rlo h ALA 78 N -1.53 0.54 -0.55 5.32 0.00 -2.05 -3.42 119.26 117.57 2rlo h ALA 78 Ca -0.42 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 53.75 2rlo h ALA 78 Cb 1.22 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 2rlo h ALA 78 CO 0.32 0.92 -0.28 0.45 0.00 0.00 0.00 179.25 180.67 2rlo s SER 79 N -6.91 -0.82 -0.87 0.00 0.15 -1.26 -5.06 113.70 98.93 2rlo s SER 79 Ca -0.03 -0.76 -0.17 0.00 0.70 0.00 0.00 55.95 55.69 2rlo s SER 79 Cb 0.10 1.07 -0.11 0.00 -1.71 0.00 0.00 66.02 65.37 2rlo s SER 79 CO 0.82 -0.05 2.01 0.61 1.20 0.00 0.00 173.24 177.83 2rlo n GLY 80 N 3.22 2.89 3.78 9.45 0.00 -1.26 -4.91 105.19 118.36 2rlo n GLY 80 Ca 0.12 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2rlo n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rlo s SER 81 N 4.39 2.14 -0.16 1.61 0.01 -1.26 -4.80 113.70 115.62 2rlo s SER 81 Ca 0.52 0.44 -0.11 0.00 1.31 0.00 0.00 55.95 58.10 2rlo s SER 81 Cb 0.13 -0.57 0.04 0.00 0.21 0.00 0.00 66.02 65.83 2rlo s SER 81 CO 0.06 -3.35 0.23 0.00 0.41 0.00 0.00 173.24 170.59 2rlo n ALA 82 N -4.21 -3.54 0.00 1.44 0.00 -1.26 -5.03 120.51 107.91 2rlo n ALA 82 Ca 0.14 2.27 0.00 0.00 0.00 0.00 0.00 53.44 55.86 2rlo n ALA 82 Cb 0.59 -4.50 0.00 0.00 0.00 0.00 0.00 19.45 15.54 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 1.74 0.00 0.11 0.00 0.00 -1.26 -4.84 105.19 100.94 2rlo n GLY 83 Ca -0.39 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.45 0.68 -4.42 1.61 7.27 -1.26 -4.98 117.38 113.83 2rlo n GLN 84 Ca 0.00 0.15 -0.22 0.00 0.07 0.00 0.00 57.00 57.00 2rlo n GLN 84 Cb 0.42 -1.62 -0.10 0.00 2.41 0.00 0.00 30.24 31.36 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2rlo s ALA 85 N -2.53 2.45 -0.27 1.69 0.00 -1.26 -5.15 121.76 116.68 2rlo s ALA 85 Ca -0.17 -1.80 -0.15 0.00 0.00 0.00 0.00 51.96 49.83 2rlo s ALA 85 Cb 0.07 -0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.11 2rlo s ALA 85 CO 0.76 0.17 0.67 -2.00 0.00 0.00 0.00 175.76 175.36 2rlo s GLU 86 N -3.58 0.69 0.17 0.00 2.12 -1.26 -4.68 118.70 112.16 2rlo s GLU 86 Ca 0.27 1.21 -0.14 0.00 0.36 0.00 0.00 54.97 56.68 2rlo s GLU 86 Cb -0.03 0.15 0.07 0.00 0.26 0.00 0.00 34.13 34.58 2rlo s GLU 86 CO 0.12 -0.15 1.79 0.93 -0.54 0.00 0.00 175.26 177.41 2rlo h GLU 87 N 7.04 0.75 -4.19 4.30 4.39 -2.01 -3.46 114.58 121.40 2rlo h GLU 87 Ca -0.30 -0.08 -0.39 0.00 0.34 0.00 0.00 59.36 58.93 2rlo h GLU 87 Cb 1.22 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2rlo h GLU 87 CO 0.17 0.56 -0.55 0.39 -1.16 0.00 0.00 179.01 178.41 2rlo n GLU 88 N -4.64 -3.65 -2.88 2.33 1.02 -1.26 -4.92 120.64 106.65 2rlo n GLU 88 Ca 0.03 0.85 -0.43 0.00 -0.02 0.00 0.00 57.16 57.59 2rlo n GLU 88 Cb 0.07 -5.62 -0.04 0.00 -0.02 0.00 0.00 31.44 25.83 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 -2.48 6.27 -0.53 1.62 -0.87 -1.26 -5.00 114.94 112.69 2rlo s ASN 89 Ca 0.21 -0.62 -0.19 0.00 -1.57 0.00 0.00 52.86 50.69 2rlo s ASN 89 Cb -0.10 -2.41 0.07 0.00 -0.02 0.00 0.00 41.25 38.79 2rlo s ASN 89 CO 0.26 -1.26 0.64 -0.36 -2.57 0.00 0.00 177.10 173.82 2rlo s PHE 90 N 3.83 3.04 -0.12 2.20 0.40 -1.26 -5.01 117.98 121.06 2rlo s PHE 90 Ca 0.26 -0.66 -0.06 0.00 -0.60 0.00 0.00 56.93 55.87 2rlo s PHE 90 Cb -0.15 -3.66 0.05 0.00 0.51 0.00 0.00 43.02 39.77 2rlo s PHE 90 CO 0.15 -1.10 0.28 -1.21 0.70 0.00 0.00 175.22 174.05 2rlo s GLU 91 N 2.63 0.25 0.15 0.44 8.01 -1.26 -3.29 118.70 125.64 2rlo s GLU 91 Ca 0.14 0.60 0.10 0.00 0.01 0.00 0.00 54.97 55.81 2rlo s GLU 91 Cb -0.21 -0.10 -0.04 0.00 -4.31 0.00 0.00 34.13 29.48 2rlo s GLU 91 CO 0.10 -0.16 -0.22 -0.59 0.01 0.00 0.00 175.26 174.40 2rlo s PHE 92 N 1.32 2.04 0.04 1.61 -0.71 -0.51 -3.89 117.98 117.88 2rlo s PHE 92 Ca -0.09 -0.41 0.07 0.00 -1.04 0.00 0.00 56.93 55.46 2rlo s PHE 92 Cb -0.10 -1.05 -0.03 0.00 -1.21 0.00 0.00 43.02 40.63 2rlo s PHE 92 CO -0.10 0.36 -0.19 -0.51 -1.34 0.00 0.00 175.22 173.44 2rlo s LEU 93 N -2.41 2.56 -0.32 -1.99 1.02 0.19 -1.20 118.68 116.54 2rlo s LEU 93 Ca 0.15 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 53.84 2rlo s LEU 93 Cb -0.08 -1.49 0.06 0.00 0.02 0.00 0.00 46.19 44.69 2rlo s LEU 93 CO 0.07 0.25 0.03 -0.63 0.02 0.00 0.00 176.35 176.10 2rlo s ILE 94 N -0.92 3.04 -0.18 -0.59 -1.09 0.14 -2.10 121.20 119.51 2rlo s ILE 94 Ca 0.14 -1.48 -0.13 0.00 -2.23 0.00 0.00 60.65 56.95 2rlo s ILE 94 Cb -0.10 -2.80 -0.05 0.00 -1.58 0.00 0.00 42.46 37.93 2rlo s ILE 94 CO 0.05 -0.20 0.25 -0.69 -1.23 0.00 0.00 174.94 173.12 2rlo s VAL 95 N 1.24 5.33 0.29 2.92 1.01 0.70 0.44 120.40 132.32 2rlo s VAL 95 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2rlo s VAL 95 Cb -0.20 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2rlo s VAL 95 CO -0.01 0.39 0.40 -0.24 0.00 0.00 0.00 175.10 175.63 2rlo n SER 96 N 3.69 0.56 0.16 3.32 2.88 0.17 -1.11 113.62 123.29 2rlo n SER 96 Ca -0.13 -1.46 0.12 0.00 -1.33 0.00 0.00 58.87 56.07 2rlo n SER 96 Cb 0.52 -0.26 0.18 0.00 -0.75 0.00 0.00 64.21 63.90 2rlo n SER 96 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2rlo h SER 97 N -0.23 0.00 -0.71 -3.46 0.02 -1.87 -3.25 113.55 104.05 2rlo h SER 97 Ca -0.13 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.62 2rlo h SER 97 Cb 0.49 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.93 2rlo h SER 97 CO 0.14 0.01 0.22 1.07 -1.14 0.00 0.00 176.83 177.13 2rlo n THR 98 N -2.78 2.92 0.00 -2.27 5.66 -1.26 -4.90 114.28 111.65 2rlo n THR 98 Ca 0.03 -1.60 0.00 0.00 -3.05 0.00 0.00 64.05 59.44 2rlo n THR 98 Cb 0.51 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 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 0.00 3.04 3.69 1.09 0.00 -1.23 -4.97 105.19 106.82 2rlo n GLY 99 Ca 0.39 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.88 1.72 -4.08 1.61 7.27 -1.26 -4.62 117.38 116.13 2rlo n GLN 100 Ca 0.00 0.63 -0.32 0.00 0.07 0.00 0.00 57.00 57.38 2rlo n GLN 100 Cb 0.00 -2.40 -0.16 0.00 2.41 0.00 0.00 30.24 30.09 2rlo n GLN 100 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2rlo s THR 101 N 3.78 2.05 -0.53 1.69 2.01 -1.26 0.43 115.64 123.82 2rlo s THR 101 Ca 0.95 -1.27 -0.22 0.00 0.31 0.00 0.00 61.69 61.46 2rlo s THR 101 Cb -0.86 -2.03 0.05 0.00 0.01 0.00 0.00 72.50 69.66 2rlo s THR 101 CO 0.58 0.22 0.79 0.26 -0.69 0.00 0.00 174.62 175.78 2rlo s TRP 102 N 1.22 2.91 -0.33 4.92 0.52 0.17 -4.83 118.94 123.52 2rlo s TRP 102 Ca -0.02 -0.26 -0.15 0.00 0.02 0.00 0.00 56.10 55.69 2rlo s TRP 102 Cb -0.17 -3.82 -0.02 0.00 -1.15 0.00 0.00 33.47 28.32 2rlo s TRP 102 CO -0.09 -1.20 0.34 -1.58 0.02 0.00 0.00 176.95 174.45 2rlo s HIS 103 N 3.33 3.22 0.21 -1.98 2.46 -1.26 0.26 115.29 121.53 2rlo s HIS 103 Ca 0.23 0.03 0.10 0.00 0.47 0.00 0.00 55.06 55.89 2rlo s HIS 103 Cb -0.16 -2.62 -0.05 0.00 -0.13 0.00 0.00 32.58 29.63 2rlo s HIS 103 CO 0.16 -0.38 -0.18 -0.06 -2.47 0.00 0.00 174.74 171.81 2rlo s PHE 104 N 1.98 1.99 -0.32 3.88 0.08 -0.34 -4.10 117.98 121.15 2rlo s PHE 104 Ca 0.11 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.75 2rlo s PHE 104 Cb -0.16 -0.93 0.09 0.00 -0.57 0.00 0.00 43.02 41.45 2rlo s PHE 104 CO 0.11 0.48 0.04 -2.00 -0.10 0.00 0.00 175.22 173.75 2rlo s GLU 105 N -3.23 1.36 0.18 0.44 2.12 0.60 -1.42 118.70 118.75 2rlo s GLU 105 Ca 0.23 -1.56 -0.33 0.00 0.36 0.00 0.00 54.97 53.66 2rlo s GLU 105 Cb -0.04 -2.83 -0.14 0.00 0.26 0.00 0.00 34.13 31.38 2rlo s GLU 105 CO 0.10 -0.89 1.50 0.00 -0.54 0.00 0.00 175.26 175.42 2rlo n ALA 106 N 4.45 1.09 0.10 6.30 0.00 -1.21 -2.20 120.51 129.05 2rlo n ALA 106 Ca -0.00 0.44 -0.02 0.00 0.00 0.00 0.00 53.44 53.86 2rlo n ALA 106 Cb 0.42 -2.30 0.22 0.00 0.00 0.00 0.00 19.45 17.79 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 5.18 1.10 -3.59 0.00 0.00 -1.91 -3.44 119.26 116.61 2rlo h ALA 107 Ca -0.45 -0.43 -0.67 0.00 0.00 0.00 0.00 54.91 53.36 2rlo h ALA 107 Cb 1.27 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 2rlo h ALA 107 CO 0.83 0.60 -0.71 -1.12 0.00 0.00 0.00 179.25 178.86 2rlo s SER 108 N -6.88 4.62 0.21 0.00 0.01 -1.26 -5.03 113.70 105.37 2rlo s SER 108 Ca -0.04 -0.18 -0.07 0.00 1.31 0.00 0.00 55.95 56.97 2rlo s SER 108 Cb 0.13 -1.05 0.16 0.00 0.21 0.00 0.00 66.02 65.46 2rlo s SER 108 CO 0.77 0.26 1.67 -0.26 0.41 0.00 0.00 173.24 176.10 2rlo h PHE 109 N 4.34 1.05 -0.07 2.43 -1.00 -1.98 -2.41 116.94 119.30 2rlo h PHE 109 Ca -0.48 -0.18 -0.19 0.00 2.81 0.00 0.00 57.97 59.93 2rlo h PHE 109 Cb 1.17 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.45 2rlo h PHE 109 CO 0.58 0.95 -0.77 0.93 -1.61 0.00 0.00 178.31 178.40 2rlo h GLU 110 N 0.89 0.41 -0.76 1.51 5.08 -1.98 -3.23 114.58 116.49 2rlo h GLU 110 Ca 0.16 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 2rlo h GLU 110 Cb 0.55 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2rlo h GLU 110 CO 0.03 1.00 0.36 1.49 -1.00 0.00 0.00 179.01 180.89 2rlo h GLU 111 N 0.27 1.10 -0.69 2.33 4.57 -1.93 -2.37 114.58 117.86 2rlo h GLU 111 Ca -0.04 -0.17 0.09 0.00 -1.18 0.00 0.00 59.36 58.06 2rlo h GLU 111 Cb 1.36 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 2rlo h GLU 111 CO 0.13 0.86 0.45 0.07 -1.18 0.00 0.00 179.01 179.35 2rlo h ARG 112 N 1.08 0.57 -0.03 1.92 -0.00 -1.45 -0.00 114.38 116.46 2rlo h ARG 112 Ca 0.26 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 60.17 2rlo h ARG 112 Cb 0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2rlo h ARG 112 CO -0.03 0.38 -0.12 -0.44 -0.00 0.00 0.00 179.97 179.76 2rlo h ASP 113 N 0.59 0.16 -0.49 0.08 3.32 -1.53 -1.70 116.42 116.85 2rlo h ASP 113 Ca 0.31 -0.63 0.06 0.00 0.02 0.00 0.00 57.03 56.80 2rlo h ASP 113 Cb 0.44 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 2rlo h ASP 113 CO -0.10 0.76 0.19 0.00 -1.72 0.00 0.00 179.24 178.36 2rlo h ALA 114 N 0.40 0.60 0.52 3.45 0.00 -0.92 0.24 119.26 123.55 2rlo h ALA 114 Ca -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2rlo h ALA 114 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2rlo h ALA 114 CO 0.02 -0.20 -0.26 -1.49 0.00 0.00 0.00 179.25 177.33 2rlo h TRP 115 N 0.37 -0.66 -0.68 0.00 4.06 -1.06 1.19 115.95 119.18 2rlo h TRP 115 Ca 0.23 -0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.28 2rlo h TRP 115 Cb 0.23 0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.57 2rlo h TRP 115 CO -0.15 -0.41 0.45 0.28 -3.56 0.00 0.00 178.44 175.05 2rlo h VAL 116 N -0.71 0.86 0.00 1.49 2.07 -0.92 0.30 116.25 119.35 2rlo h VAL 116 Ca -0.07 -0.15 -0.21 0.00 0.82 0.00 0.00 66.70 67.09 2rlo h VAL 116 Cb 0.55 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2rlo h VAL 116 CO 0.11 0.08 -0.98 1.56 0.02 0.00 0.00 177.57 178.36 2rlo h GLN 117 N 0.44 0.00 -0.20 1.57 7.50 0.01 -2.46 115.11 121.98 2rlo h GLN 117 Ca 0.32 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.39 2rlo h GLN 117 Cb 0.65 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.18 2rlo h GLN 117 CO -0.10 0.98 -0.17 0.00 -1.50 0.00 0.00 178.83 178.04 2rlo h ALA 118 N 1.02 0.29 -0.08 3.87 0.00 0.42 0.38 119.26 125.16 2rlo h ALA 118 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2rlo h ALA 118 Cb 1.75 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2rlo h ALA 118 CO 0.13 0.20 0.01 0.82 0.00 0.00 0.00 179.25 180.40 2rlo h ILE 119 N 0.15 1.23 -0.17 0.00 5.03 -0.62 0.76 117.51 123.88 2rlo h ILE 119 Ca 0.03 -0.70 -0.07 0.00 -0.12 0.00 0.00 64.86 64.00 2rlo h ILE 119 Cb 0.71 1.55 -0.01 0.00 -3.03 0.00 0.00 36.82 36.03 2rlo h ILE 119 CO 0.04 0.20 -0.21 -0.33 -0.68 0.00 0.00 178.15 177.17 2rlo h GLU 120 N -0.12 0.30 -0.26 2.37 4.39 -1.46 -1.91 114.58 117.89 2rlo h GLU 120 Ca 0.02 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 2rlo h GLU 120 Cb 0.30 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2rlo h GLU 120 CO 0.00 0.51 -0.05 1.03 -1.16 0.00 0.00 179.01 179.34 2rlo h SER 121 N 0.28 0.50 -0.33 1.42 0.87 0.01 0.47 113.55 116.76 2rlo h SER 121 Ca 0.05 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 2rlo h SER 121 Cb 0.54 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2rlo h SER 121 CO 0.04 0.73 0.14 1.56 -0.53 0.00 0.00 176.83 178.77 2rlo h GLN 122 N 0.25 0.55 -0.07 2.24 7.50 -0.59 -0.75 115.11 124.23 2rlo h GLN 122 Ca 0.07 -0.07 -0.19 0.00 0.50 0.00 0.00 58.65 58.95 2rlo h GLN 122 Cb 0.50 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.93 2rlo h GLN 122 CO 0.02 0.46 -0.76 0.82 -1.50 0.00 0.00 178.83 177.88 2rlo h ILE 123 N 0.54 1.37 -0.20 2.54 2.04 -1.09 -1.97 117.51 120.75 2rlo h ILE 123 Ca 0.13 -2.17 -0.11 0.00 1.00 0.00 0.00 64.86 63.71 2rlo h ILE 123 Cb 0.13 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2rlo h ILE 123 CO -0.01 0.65 -0.37 -0.07 0.00 0.00 0.00 178.15 178.35 2rlo h LEU 124 N 0.29 0.44 -0.15 1.44 3.38 -0.14 0.41 115.31 120.98 2rlo h LEU 124 Ca -0.04 -0.18 -0.23 0.00 0.09 0.00 0.00 57.88 57.52 2rlo h LEU 124 Cb 1.35 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.98 2rlo h LEU 124 CO 0.13 0.78 -0.95 0.00 0.09 0.00 0.00 178.44 178.49 2rlo h ALA 125 N 1.25 0.33 0.00 1.53 0.00 -1.12 -2.69 119.26 118.56 2rlo h ALA 125 Ca 0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 2rlo h ALA 125 Cb 0.81 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2rlo h ALA 125 CO 0.07 0.79 -0.77 1.03 0.00 0.00 0.00 179.25 180.36 2rlo h SER 126 N 0.27 0.00 -0.09 0.00 0.87 -1.23 -3.27 113.55 110.10 2rlo h SER 126 Ca -0.09 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2rlo h SER 126 Cb 1.58 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2rlo h SER 126 CO 0.17 0.77 -0.11 -0.07 -0.53 0.00 0.00 176.83 177.06 2rlo h LEU 127 N 0.00 0.25 0.00 2.23 3.38 -0.92 -3.50 115.31 116.74 2rlo h LEU 127 Ca -0.01 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2rlo h LEU 127 Cb 1.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2rlo h LEU 127 CO 0.10 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.34