#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 4.42 -0.04 5.13 0.00 -1.26 -5.12 121.76 124.89 2rlo s ALA 2 Ca 0.00 -1.53 0.05 0.00 0.00 0.00 0.00 51.96 50.48 2rlo s ALA 2 Cb 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 2rlo s ALA 2 CO 0.00 -0.49 -0.18 0.42 0.00 0.00 0.00 175.76 175.51 2rlo s ILE 3 N -2.71 1.51 0.20 0.00 1.01 -1.26 -4.97 121.20 114.98 2rlo s ILE 3 Ca 0.41 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 2rlo s ILE 3 Cb -0.03 -1.29 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 2rlo s ILE 3 CO 0.25 0.43 1.36 -2.16 0.00 0.00 0.00 174.94 174.82 2rlo s PRO 4 N -0.08 4.35 0.06 2.79 0.04 -1.26 -0.72 135.00 140.18 2rlo s PRO 4 Ca -0.02 2.12 0.21 0.00 0.04 0.00 0.00 61.00 63.36 2rlo s PRO 4 Cb -0.11 -3.18 -0.18 0.00 0.04 0.00 0.00 34.50 31.07 2rlo s PRO 4 CO 0.02 -0.33 0.72 -0.89 0.04 0.00 0.00 177.00 176.56 2rlo n ILE 5 N 2.80 0.44 -3.15 0.56 2.08 0.77 -4.86 119.36 118.01 2rlo n ILE 5 Ca 0.07 -0.56 0.06 0.00 0.56 0.00 0.00 62.75 62.88 2rlo n ILE 5 Cb 0.42 -0.23 -0.02 0.00 -0.75 0.00 0.00 39.64 39.05 2rlo n ILE 5 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2rlo s LYS 6 N -3.34 0.00 -0.22 0.38 2.47 -0.88 -4.87 119.74 113.28 2rlo s LYS 6 Ca -0.05 0.00 -0.00 0.00 -1.56 0.00 0.00 55.97 54.36 2rlo s LYS 6 Cb 0.11 0.00 0.06 0.00 -1.46 0.00 0.00 37.83 36.54 2rlo s LYS 6 CO 0.85 -0.00 -0.02 -1.14 0.16 0.00 0.00 175.35 175.19 2rlo s GLN 7 N 2.98 1.31 0.17 4.03 -0.44 -1.26 0.88 119.66 127.34 2rlo s GLN 7 Ca -0.12 -0.82 -0.08 0.00 -2.50 0.00 0.00 55.36 51.84 2rlo s GLN 7 Cb -0.08 -2.44 0.03 0.00 -1.64 0.00 0.00 33.01 28.88 2rlo s GLN 7 CO -0.06 -0.62 0.44 0.45 0.50 0.00 0.00 175.29 175.99 2rlo n SER 8 N 4.79 -1.10 -4.68 6.67 2.88 -0.15 -4.98 113.62 117.04 2rlo n SER 8 Ca -0.11 -1.73 -0.40 0.00 -1.33 0.00 0.00 58.87 55.31 2rlo n SER 8 Cb 0.45 1.83 -0.06 0.00 -0.75 0.00 0.00 64.21 65.68 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2rlo s PHE 9 N -5.13 3.44 0.31 0.66 0.08 -1.26 -0.85 117.98 115.23 2rlo s PHE 9 Ca 0.09 0.99 0.09 0.00 0.12 0.00 0.00 56.93 58.23 2rlo s PHE 9 Cb -0.02 -2.77 -0.05 0.00 -0.57 0.00 0.00 43.02 39.61 2rlo s PHE 9 CO 0.05 -0.07 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.57 2rlo s LEU 10 N 1.51 2.99 -0.06 -0.37 1.02 -0.42 -4.13 118.68 119.22 2rlo s LEU 10 Ca 0.30 -0.90 -0.07 0.00 0.02 0.00 0.00 54.13 53.48 2rlo s LEU 10 Cb -0.16 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 2rlo s LEU 10 CO 0.12 -0.14 0.21 -0.76 0.02 0.00 0.00 176.35 175.79 2rlo s LEU 11 N -3.68 4.39 -0.24 1.79 1.02 -0.88 0.10 118.68 121.18 2rlo s LEU 11 Ca 0.33 0.53 -0.01 0.00 0.02 0.00 0.00 54.13 55.01 2rlo s LEU 11 Cb -0.02 -2.33 0.07 0.00 0.02 0.00 0.00 46.19 43.92 2rlo s LEU 11 CO 0.19 0.35 0.01 -0.75 0.02 0.00 0.00 176.35 176.17 2rlo s LYS 12 N -1.31 1.13 0.57 1.70 2.47 -0.61 -1.06 119.74 122.62 2rlo s LYS 12 Ca 0.20 -0.88 -0.20 0.00 -1.56 0.00 0.00 55.97 53.54 2rlo s LYS 12 Cb -0.13 -2.36 -0.05 0.00 -1.46 0.00 0.00 37.83 33.83 2rlo s LYS 12 CO 0.10 -0.71 1.12 2.89 0.16 0.00 0.00 175.35 178.91 2rlo n ARG 13 N 4.80 1.20 -3.17 4.03 1.85 -1.26 -1.27 116.66 122.84 2rlo n ARG 13 Ca -0.08 0.45 -0.18 0.00 -1.00 0.00 0.00 57.85 57.04 2rlo n ARG 13 Cb 0.44 -2.31 -0.06 0.00 -1.05 0.00 0.00 32.46 29.49 2rlo n ARG 13 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2rlo s SER 14 N -1.10 0.41 0.00 2.89 0.01 0.29 -4.85 113.70 111.35 2rlo s SER 14 Ca 0.74 -2.44 0.00 0.00 1.31 0.00 0.00 55.95 55.56 2rlo s SER 14 Cb -0.43 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2rlo s SER 14 CO 0.48 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2rlo n GLY 15 N 3.05 -0.58 3.95 3.44 0.00 -1.26 -4.59 105.19 109.20 2rlo n GLY 15 Ca 0.24 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 2rlo n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rlo s ASN 16 N -4.00 3.34 0.07 1.61 0.01 -1.22 -4.96 114.94 109.79 2rlo s ASN 16 Ca 0.00 0.02 -0.09 0.00 -0.71 0.00 0.00 52.86 52.08 2rlo s ASN 16 Cb 0.00 -0.11 -0.26 0.00 0.41 0.00 0.00 41.25 41.28 2rlo s ASN 16 CO 0.00 -2.57 1.13 0.28 -1.51 0.00 0.00 177.10 174.44 2rlo h SER 17 N -1.38 0.65 0.33 -1.22 0.02 -2.01 -3.23 113.55 106.71 2rlo h SER 17 Ca -0.42 -0.64 -0.18 0.00 -0.84 0.00 0.00 61.79 59.72 2rlo h SER 17 Cb 1.24 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 2rlo h SER 17 CO 0.36 1.47 -0.71 0.25 -1.14 0.00 0.00 176.83 177.06 2rlo h LEU 18 N 0.17 0.39 -6.99 5.07 5.85 -2.03 -3.36 115.31 114.41 2rlo h LEU 18 Ca -0.16 -0.26 -0.63 0.00 0.84 0.00 0.00 57.88 57.67 2rlo h LEU 18 Cb 1.92 -0.12 -0.41 0.00 0.37 0.00 0.00 40.66 42.43 2rlo h LEU 18 CO 0.22 0.98 -0.49 -3.20 -0.34 0.00 0.00 178.44 175.61 2rlo n ASN 19 N -3.82 3.34 -4.80 1.25 2.85 -1.24 -5.06 115.26 107.77 2rlo n ASN 19 Ca -0.04 -3.24 -0.31 0.00 -0.11 0.00 0.00 54.58 50.88 2rlo n ASN 19 Cb 0.70 -0.79 0.05 0.00 1.24 0.00 0.00 39.78 40.98 2rlo n ASN 19 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2rlo s LYS 20 N -1.62 2.85 -0.31 1.20 1.02 -1.22 -3.39 119.74 118.27 2rlo s LYS 20 Ca 0.27 1.06 0.01 0.00 0.02 0.00 0.00 55.97 57.33 2rlo s LYS 20 Cb -0.02 -1.98 0.19 0.00 -0.52 0.00 0.00 37.83 35.51 2rlo s LYS 20 CO -0.14 -1.17 0.73 -2.00 -0.92 0.00 0.00 175.35 171.84 2rlo s GLU 21 N -4.82 0.47 -0.12 1.68 2.56 -1.26 -4.95 118.70 112.25 2rlo s GLU 21 Ca 0.60 0.33 -0.16 0.00 0.00 0.00 0.00 54.97 55.74 2rlo s GLU 21 Cb -0.15 0.18 -0.05 0.00 2.00 0.00 0.00 34.13 36.11 2rlo s GLU 21 CO 0.52 -0.84 0.40 -1.58 -0.56 0.00 0.00 175.26 173.20 2rlo s TRP 22 N 2.72 3.52 0.17 5.30 0.52 -1.26 0.11 118.94 130.02 2rlo s TRP 22 Ca 0.15 0.80 0.04 0.00 0.02 0.00 0.00 56.10 57.11 2rlo s TRP 22 Cb -0.07 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.78 2rlo s TRP 22 CO -0.23 0.26 0.19 0.15 0.02 0.00 0.00 176.95 177.34 2rlo s LYS 23 N 0.32 3.07 0.02 4.98 3.01 -0.40 -4.66 119.74 126.08 2rlo s LYS 23 Ca 0.22 -0.81 -0.30 0.00 -1.01 0.00 0.00 55.97 54.07 2rlo s LYS 23 Cb -0.15 -2.73 -0.08 0.00 -1.01 0.00 0.00 37.83 33.86 2rlo s LYS 23 CO 0.08 0.49 1.81 0.15 0.51 0.00 0.00 175.35 178.39 2rlo s LYS 24 N -3.23 4.16 0.43 1.68 -0.14 -1.26 -1.58 119.74 119.81 2rlo s LYS 24 Ca 0.32 2.43 0.04 0.00 -1.36 0.00 0.00 55.97 57.40 2rlo s LYS 24 Cb -0.10 -3.96 -0.04 0.00 -1.68 0.00 0.00 37.83 32.04 2rlo s LYS 24 CO 0.25 -0.88 0.03 0.15 -0.76 0.00 0.00 175.35 174.15 2rlo s LYS 25 N 3.88 1.99 -0.16 1.68 -0.14 0.29 -4.49 119.74 122.79 2rlo s LYS 25 Ca 0.81 -2.20 -0.01 0.00 -1.36 0.00 0.00 55.97 53.21 2rlo s LYS 25 Cb -0.40 -1.31 0.04 0.00 -1.68 0.00 0.00 37.83 34.49 2rlo s LYS 25 CO 0.36 -0.26 -0.04 -0.47 -0.76 0.00 0.00 175.35 174.18 2rlo s TYR 26 N -2.95 1.53 0.07 3.18 6.14 -0.76 -1.30 117.35 123.26 2rlo s TYR 26 Ca 0.23 -0.98 0.09 0.00 0.64 0.00 0.00 57.07 57.04 2rlo s TYR 26 Cb 0.05 -1.24 -0.03 0.00 0.42 0.00 0.00 41.96 41.17 2rlo s TYR 26 CO 0.11 -0.59 -0.24 0.08 0.64 0.00 0.00 175.55 175.55 2rlo s VAL 27 N 1.69 1.99 -0.16 3.14 1.01 -0.02 0.05 120.40 128.10 2rlo s VAL 27 Ca 0.01 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 2rlo s VAL 27 Cb -0.15 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.55 2rlo s VAL 27 CO -0.07 0.22 0.07 -0.89 0.00 0.00 0.00 175.10 174.42 2rlo s THR 28 N -0.90 0.05 -0.32 3.92 2.01 0.83 -0.97 115.64 120.25 2rlo s THR 28 Ca 0.10 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.73 2rlo s THR 28 Cb -0.10 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.79 2rlo s THR 28 CO 0.03 -0.20 0.68 -0.22 -0.69 0.00 0.00 174.62 174.23 2rlo s LEU 29 N 2.08 4.16 0.22 4.42 1.98 0.25 -2.22 118.68 129.57 2rlo s LEU 29 Ca 0.02 0.41 0.05 0.00 -2.89 0.00 0.00 54.13 51.71 2rlo s LEU 29 Cb -0.16 -2.89 -0.03 0.00 0.66 0.00 0.00 46.19 43.77 2rlo s LEU 29 CO -0.08 -0.56 0.34 -0.94 -1.89 0.00 0.00 176.35 173.22 2rlo s SER 30 N 1.69 6.30 0.00 3.68 1.04 -0.85 0.27 113.70 125.83 2rlo s SER 30 Ca 0.27 0.08 0.28 0.00 0.48 0.00 0.00 55.95 57.06 2rlo s SER 30 Cb -0.14 -1.86 1.67 0.00 0.10 0.00 0.00 66.02 65.79 2rlo s SER 30 CO 0.13 -0.04 2.02 -1.54 0.98 0.00 0.00 173.24 174.79 2rlo n SER 31 N -1.22 0.00 -1.48 7.02 3.41 0.10 -3.40 113.62 118.04 2rlo n SER 31 Ca -0.09 -0.87 -0.06 0.00 -0.26 0.00 0.00 58.87 57.59 2rlo n SER 31 Cb 0.56 -0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.65 2rlo n SER 31 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2rlo n ASN 32 N -1.00 3.43 -3.77 4.04 5.15 -1.26 -4.85 115.26 117.00 2rlo n ASN 32 Ca 0.21 -2.70 -0.26 0.00 -0.60 0.00 0.00 54.58 51.22 2rlo n ASN 32 Cb 0.10 -0.65 0.05 0.00 -0.53 0.00 0.00 39.78 38.75 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rlo n GLY 33 N -0.10 -0.47 2.83 8.20 0.00 -1.22 -4.95 105.19 109.49 2rlo n GLY 33 Ca 0.25 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 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 0.37 -0.27 1.61 5.36 -1.25 -1.81 117.98 118.63 2rlo s PHE 34 Ca 0.50 -0.03 -0.06 0.00 -0.96 0.00 0.00 56.93 56.39 2rlo s PHE 34 Cb -0.24 -0.44 0.00 0.00 -0.34 0.00 0.00 43.02 42.00 2rlo s PHE 34 CO 0.79 -0.14 0.04 -1.17 -1.46 0.00 0.00 175.22 173.28 2rlo s LEU 35 N 1.01 3.49 0.03 6.12 2.96 -0.93 -2.01 118.68 129.34 2rlo s LEU 35 Ca -0.10 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.30 2rlo s LEU 35 Cb -0.14 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2rlo s LEU 35 CO -0.01 -0.12 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.00 2rlo s LEU 36 N 1.50 2.84 -0.20 -0.68 1.02 -0.94 -0.06 118.68 122.16 2rlo s LEU 36 Ca 0.04 -0.31 -0.14 0.00 0.02 0.00 0.00 54.13 53.73 2rlo s LEU 36 Cb -0.16 -1.65 0.06 0.00 0.02 0.00 0.00 46.19 44.46 2rlo s LEU 36 CO 0.01 0.26 0.51 -0.72 0.02 0.00 0.00 176.35 176.43 2rlo s TYR 37 N -0.96 -0.67 0.24 0.29 1.13 0.72 -0.12 117.35 117.98 2rlo s TYR 37 Ca 0.16 1.48 0.10 0.00 -1.41 0.00 0.00 57.07 57.40 2rlo s TYR 37 Cb -0.11 0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 41.00 2rlo s TYR 37 CO 0.06 -0.34 -0.18 -1.01 -2.51 0.00 0.00 175.55 171.57 2rlo s HIS 38 N 0.91 2.02 0.53 -3.49 0.09 0.11 -1.60 115.29 113.86 2rlo s HIS 38 Ca -0.05 -0.44 0.32 0.00 -0.00 0.00 0.00 55.06 54.89 2rlo s HIS 38 Cb -0.06 -0.91 1.48 0.00 -0.00 0.00 0.00 32.58 33.09 2rlo s HIS 38 CO -0.08 0.53 1.86 -1.35 -0.00 0.00 0.00 174.74 175.71 2rlo h PRO 39 N 2.52 0.03 0.00 8.40 0.11 -1.86 -2.03 132.00 139.17 2rlo h PRO 39 Ca -0.40 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.84 2rlo h PRO 39 Cb 1.24 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2rlo h PRO 39 CO 0.59 0.02 0.39 0.45 -0.21 0.00 0.00 178.00 179.24 2rlo n SER 40 N -4.27 -0.78 -0.16 -2.05 2.88 -1.26 -4.29 113.62 103.69 2rlo n SER 40 Ca 0.21 -1.31 -0.08 0.00 -1.33 0.00 0.00 58.87 56.35 2rlo n SER 40 Cb 1.03 1.24 0.01 0.00 -0.75 0.00 0.00 64.21 65.74 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 1.52 1.19 -0.77 2.46 5.03 -1.89 -1.82 117.51 123.23 2rlo h ILE 41 Ca -0.13 -0.52 0.22 0.00 -0.12 0.00 0.00 64.86 64.31 2rlo h ILE 41 Cb 0.62 0.65 -0.03 0.00 -3.03 0.00 0.00 36.82 35.03 2rlo h ILE 41 CO 0.18 0.20 0.58 0.78 -0.68 0.00 0.00 178.15 179.21 2rlo h ASN 42 N 0.63 0.00 0.28 1.72 4.21 -1.98 0.44 115.58 120.88 2rlo h ASN 42 Ca 0.16 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.42 2rlo h ASN 42 Cb 0.11 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.32 2rlo h ASN 42 CO -0.02 0.00 -1.08 0.44 -1.29 0.00 0.00 177.43 175.48 2rlo h ASP 43 N 0.00 0.66 0.06 5.81 5.19 -1.65 -1.68 116.42 124.80 2rlo h ASP 43 Ca 0.36 -0.57 -0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2rlo h ASP 43 Cb 1.52 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.82 2rlo h ASP 43 CO -0.00 1.38 -0.03 0.22 -3.12 0.00 0.00 179.24 177.69 2rlo h TYR 44 N 0.24 -0.07 0.83 4.55 3.20 0.02 0.75 116.97 126.50 2rlo h TYR 44 Ca -0.12 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.71 2rlo h TYR 44 Cb 1.74 0.02 0.01 0.00 1.54 0.00 0.00 36.73 40.04 2rlo h TYR 44 CO 0.08 0.45 -0.40 0.82 -1.64 0.00 0.00 178.16 177.47 2rlo h ILE 45 N -0.66 0.00 0.00 1.81 2.04 -0.61 -3.17 117.51 116.92 2rlo h ILE 45 Ca -0.01 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 2rlo h ILE 45 Cb 0.56 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2rlo h ILE 45 CO 0.01 0.00 -0.31 0.45 0.00 0.00 0.00 178.15 178.30 2rlo h HIS 46 N -1.13 0.00 -3.46 1.37 3.86 -1.44 -3.49 115.15 110.87 2rlo h HIS 46 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2rlo h HIS 46 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 2rlo h HIS 46 CO 0.04 0.31 -0.03 0.45 0.86 0.00 0.00 177.93 179.56 2rlo n SER 47 N -3.39 -3.14 -4.14 2.45 2.88 0.23 -5.02 113.62 103.50 2rlo n SER 47 Ca 0.00 0.02 -0.33 0.00 -1.33 0.00 0.00 58.87 57.24 2rlo n SER 47 Cb 0.51 -1.85 -0.15 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 -2.47 2.36 0.00 2.46 -4.23 0.47 -4.82 115.64 109.41 2rlo s THR 48 Ca 0.02 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 2rlo s THR 48 Cb -0.00 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2rlo s THR 48 CO 0.15 0.32 0.00 1.41 -0.54 0.00 0.00 174.62 175.96 2rlo n HIS 49 N 4.60 0.00 -3.05 3.99 8.25 -1.26 -4.76 115.22 122.99 2rlo n HIS 49 Ca -0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2rlo n HIS 49 Cb 0.47 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.24 3.73 -1.41 0.00 -1.26 -4.90 105.19 100.11 2rlo n GLY 50 Ca 0.00 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.15 4.59 -0.03 1.61 -0.14 -0.63 -4.92 119.74 119.07 2rlo s LYS 51 Ca -0.00 1.29 0.02 0.00 -1.36 0.00 0.00 55.97 55.91 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 0.22 0.16 -0.07 -1.83 -0.76 0.00 0.00 175.35 173.07 2rlo s GLU 52 N 0.27 0.95 -0.19 1.68 -1.05 -1.26 -0.20 118.70 118.90 2rlo s GLU 52 Ca 0.45 -0.23 -0.01 0.00 -0.15 0.00 0.00 54.97 55.03 2rlo s GLU 52 Cb -0.22 -0.89 0.01 0.00 -0.44 0.00 0.00 34.13 32.59 2rlo s GLU 52 CO 0.26 0.03 -0.15 1.41 0.95 0.00 0.00 175.26 177.77 2rlo s MET 53 N 0.48 3.10 0.15 -4.83 -2.45 0.92 -4.97 119.30 111.69 2rlo s MET 53 Ca -0.07 -0.77 -0.31 0.00 -1.25 0.00 0.00 55.69 53.28 2rlo s MET 53 Cb -0.11 -2.72 -0.10 0.00 1.25 0.00 0.00 34.83 33.15 2rlo s MET 53 CO 0.01 -0.21 1.70 -0.51 1.05 0.00 0.00 175.02 177.05 2rlo s ASP 54 N 1.35 6.48 -0.58 1.11 1.11 -1.26 -2.19 116.67 122.68 2rlo s ASP 54 Ca 0.05 2.71 -0.02 0.00 0.18 0.00 0.00 52.55 55.47 2rlo s ASP 54 Cb -0.13 -2.58 0.38 0.00 1.07 0.00 0.00 42.92 41.66 2rlo s ASP 54 CO -0.10 -0.93 2.04 0.18 1.18 0.00 0.00 175.17 177.55 2rlo n LEU 55 N 4.73 7.39 -0.01 1.23 4.77 -0.75 -4.39 117.00 129.98 2rlo n LEU 55 Ca 0.16 -4.05 -0.19 0.00 -0.03 0.00 0.00 56.01 51.89 2rlo n LEU 55 Cb 0.38 -1.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.33 2rlo n LEU 55 CO 0.63 1.42 -0.11 0.25 -1.33 0.00 0.00 177.39 178.25 2rlo h LEU 56 N 2.17 0.27 -4.48 2.23 6.46 -1.88 -3.27 115.31 116.81 2rlo h LEU 56 Ca 0.53 -0.87 -0.22 0.00 -0.12 0.00 0.00 57.88 57.20 2rlo h LEU 56 Cb 0.82 -0.09 -0.39 0.00 -0.73 0.00 0.00 40.66 40.26 2rlo h LEU 56 CO 1.38 1.39 -1.08 0.54 -0.62 0.00 0.00 178.44 180.05 2rlo n ARG 57 N -4.21 1.09 -1.97 1.25 5.12 -1.26 -4.52 116.66 112.16 2rlo n ARG 57 Ca -0.19 -2.94 -0.32 0.00 -1.93 0.00 0.00 57.85 52.47 2rlo n ARG 57 Cb 0.75 -1.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.06 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 -2.36 4.23 0.12 0.55 -4.23 -1.26 -4.63 115.64 108.05 2rlo s THR 58 Ca 0.30 0.90 0.09 0.00 -1.18 0.00 0.00 61.69 61.80 2rlo s THR 58 Cb 0.35 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 2rlo s THR 58 CO -0.09 -0.78 -0.23 0.42 -0.54 0.00 0.00 174.62 173.40 2rlo s THR 59 N -2.80 1.95 -0.32 3.99 -4.23 0.16 -4.94 115.64 109.44 2rlo s THR 59 Ca 0.59 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 59.34 2rlo s THR 59 Cb -0.13 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2rlo s THR 59 CO 0.44 -0.02 0.16 -0.69 -0.54 0.00 0.00 174.62 173.96 2rlo s VAL 60 N -1.20 4.52 -0.07 2.29 1.01 -1.26 -0.29 120.40 125.41 2rlo s VAL 60 Ca 0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2rlo s VAL 60 Cb -0.10 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2rlo s VAL 60 CO 0.05 0.00 0.12 -0.54 0.00 0.00 0.00 175.10 174.73 2rlo s LYS 61 N 1.59 3.30 -0.04 2.72 3.01 -0.78 -4.90 119.74 124.63 2rlo s LYS 61 Ca 0.04 -0.28 -0.00 0.00 -1.01 0.00 0.00 55.97 54.71 2rlo s LYS 61 Cb -0.18 -3.05 0.03 0.00 -1.01 0.00 0.00 37.83 33.62 2rlo s LYS 61 CO 0.06 0.72 0.01 0.14 0.51 0.00 0.00 175.35 176.79 2rlo s VAL 62 N -1.10 0.18 -0.33 3.17 -7.23 -1.26 0.98 120.40 114.81 2rlo s VAL 62 Ca 0.19 0.16 -0.27 0.00 -1.81 0.00 0.00 61.98 60.25 2rlo s VAL 62 Cb -0.12 -0.32 -0.28 0.00 0.56 0.00 0.00 36.38 36.22 2rlo s VAL 62 CO 0.09 0.18 1.73 -2.65 -0.31 0.00 0.00 175.10 174.14 2rlo n PRO 63 N 4.62 0.66 0.00 4.82 -0.02 -1.26 -3.91 135.00 139.90 2rlo n PRO 63 Ca -0.17 -1.36 0.00 0.00 -2.02 0.00 0.00 63.50 59.95 2rlo n PRO 63 Cb 0.50 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2rlo n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rlo n GLY 64 N 4.78 0.67 3.12 -1.23 0.00 -1.26 -5.09 105.19 106.18 2rlo n GLY 64 Ca 0.48 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.50 -1.23 1.61 5.02 -1.25 -4.78 118.16 116.02 2rlo n LYS 65 Ca 0.00 -0.43 0.16 0.00 -2.02 0.00 0.00 58.31 56.01 2rlo n LYS 65 Cb 0.00 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.48 2rlo n LYS 65 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2rlo n ARG 66 N -1.00 -2.72 -1.62 1.97 1.74 -1.26 -4.79 116.66 108.98 2rlo n ARG 66 Ca 0.02 2.09 -0.43 0.00 -0.77 0.00 0.00 57.85 58.76 2rlo n ARG 66 Cb 0.53 -3.23 -0.00 0.00 -1.02 0.00 0.00 32.46 28.74 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 -4.03 1.52 -2.04 5.56 -0.04 -1.26 -4.90 135.00 129.81 2rlo n PRO 67 Ca -0.05 0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 63.53 2rlo n PRO 67 Cb 0.58 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 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 -1.80 4.27 -1.69 0.54 0.04 -1.26 -3.01 135.00 132.09 2rlo s PRO 68 Ca 0.60 2.23 -0.17 0.00 0.04 0.00 0.00 61.00 63.70 2rlo s PRO 68 Cb -0.62 -3.18 0.15 0.00 0.04 0.00 0.00 34.50 30.89 2rlo s PRO 68 CO 0.59 -0.50 0.74 0.54 0.04 0.00 0.00 177.00 178.42 2rlo n ARG 69 N 3.68 -3.08 0.22 4.56 5.12 -1.26 -4.69 116.66 121.22 2rlo n ARG 69 Ca 0.12 0.36 0.16 0.00 -1.93 0.00 0.00 57.85 56.56 2rlo n ARG 69 Cb 0.40 -5.02 0.82 0.00 -1.16 0.00 0.00 32.46 27.50 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 0.91 1.80 -0.69 7.54 0.00 -1.85 -1.87 119.26 125.10 2rlo h ALA 70 Ca -0.60 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.35 2rlo h ALA 70 Cb 1.38 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 2rlo h ALA 70 CO 0.77 -0.21 0.41 0.82 0.00 0.00 0.00 179.25 181.05 2rlo h ILE 71 N 0.00 1.04 -1.95 0.00 5.03 -1.89 -3.48 117.51 116.26 2rlo h ILE 71 Ca 0.06 -0.27 0.08 0.00 -0.12 0.00 0.00 64.86 64.61 2rlo h ILE 71 Cb 0.33 0.19 -0.02 0.00 -3.03 0.00 0.00 36.82 34.29 2rlo h ILE 71 CO -0.00 0.14 -0.10 -1.20 -0.68 0.00 0.00 178.15 176.31 2rlo n SER 72 N -4.72 -5.62 -1.26 1.72 7.64 -0.71 -3.81 113.62 106.85 2rlo n SER 72 Ca 0.08 0.31 0.05 0.00 1.01 0.00 0.00 58.87 60.32 2rlo n SER 72 Cb 0.13 -0.89 0.25 0.00 -1.01 0.00 0.00 64.21 62.68 2rlo n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rlo n ALA 73 N -0.47 3.15 -2.08 -0.43 0.00 -1.26 -4.93 120.51 114.50 2rlo n ALA 73 Ca 0.00 -1.13 -0.42 0.00 0.00 0.00 0.00 53.44 51.89 2rlo n ALA 73 Cb 0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.94 2.32 0.00 0.00 5.36 -1.25 -4.42 117.98 118.05 2rlo s PHE 74 Ca 0.34 0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 2rlo s PHE 74 Cb 0.24 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 39.09 2rlo s PHE 74 CO 0.13 -3.36 0.00 0.41 -1.46 0.00 0.00 175.22 170.94 2rlo n GLY 75 N 3.95 0.15 0.26 13.12 0.00 -1.26 -4.44 105.19 116.97 2rlo n GLY 75 Ca 0.16 -1.84 0.14 0.00 0.00 0.00 0.00 46.02 44.47 2rlo n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rlo h PRO 76 N 0.00 0.00 -5.16 1.61 0.13 -2.00 -3.38 132.00 123.20 2rlo h PRO 76 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.75 2rlo h PRO 76 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rlo h PRO 76 CO 0.00 0.11 1.24 0.43 -0.23 0.00 0.00 178.00 179.56 2rlo n SER 77 N -3.37 2.59 0.10 1.44 7.64 -1.26 -4.63 113.62 116.13 2rlo n SER 77 Ca -0.01 -2.66 -0.05 0.00 1.01 0.00 0.00 58.87 57.17 2rlo n SER 77 Cb 0.30 -1.51 0.04 0.00 -1.01 0.00 0.00 64.21 62.03 2rlo n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rlo h ALA 78 N 9.55 0.68 -0.71 -0.43 0.00 -1.77 -3.39 119.26 123.19 2rlo h ALA 78 Ca 0.24 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 2rlo h ALA 78 Cb 0.87 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.39 2rlo h ALA 78 CO 1.42 0.93 -0.41 0.45 0.00 0.00 0.00 179.25 181.65 2rlo n SER 79 N -3.65 -2.97 -3.17 0.00 2.88 -1.26 -4.98 113.62 100.47 2rlo n SER 79 Ca -0.02 -2.56 -0.16 0.00 -1.33 0.00 0.00 58.87 54.80 2rlo n SER 79 Cb 0.75 1.55 0.16 0.00 -0.75 0.00 0.00 64.21 65.92 2rlo n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rlo n GLY 80 N 2.69 -3.45 3.66 0.46 0.00 -1.26 -4.96 105.19 102.33 2rlo n GLY 80 Ca 0.15 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 2rlo n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rlo s SER 81 N -2.48 6.36 -0.08 1.61 0.15 -1.26 -5.06 113.70 112.94 2rlo s SER 81 Ca 0.36 0.42 -0.14 0.00 0.70 0.00 0.00 55.95 57.28 2rlo s SER 81 Cb -0.06 -2.20 0.03 0.00 -1.71 0.00 0.00 66.02 62.07 2rlo s SER 81 CO 0.30 -0.05 0.35 0.00 1.20 0.00 0.00 173.24 175.04 2rlo s ALA 82 N 1.30 -0.88 0.00 5.45 0.00 -1.26 -5.11 121.76 121.26 2rlo s ALA 82 Ca 0.16 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2rlo s ALA 82 Cb -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2rlo s ALA 82 CO 0.07 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2rlo n GLY 83 N 2.09 0.55 2.81 0.00 0.00 -1.26 -4.95 105.19 104.42 2rlo n GLY 83 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 2rlo n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rlo s GLN 84 N -0.51 0.96 0.29 1.61 0.74 -1.26 -5.16 119.66 116.33 2rlo s GLN 84 Ca 0.00 -0.88 0.03 0.00 0.05 0.00 0.00 55.36 54.56 2rlo s GLN 84 Cb 0.00 -0.03 -0.03 0.00 1.10 0.00 0.00 33.01 34.05 2rlo s GLN 84 CO 0.00 -1.20 0.25 0.00 -0.55 0.00 0.00 175.29 173.78 2rlo s ALA 85 N 1.01 1.51 0.07 1.58 0.00 -1.26 -5.10 121.76 119.56 2rlo s ALA 85 Ca 0.28 -1.89 0.04 0.00 0.00 0.00 0.00 51.96 50.39 2rlo s ALA 85 Cb 0.01 1.42 -0.04 0.00 0.00 0.00 0.00 23.12 24.51 2rlo s ALA 85 CO -0.06 -0.65 0.00 -1.21 0.00 0.00 0.00 175.76 173.84 2rlo s GLU 86 N -3.67 2.62 0.44 0.00 0.41 -1.26 -5.01 118.70 112.22 2rlo s GLU 86 Ca 0.39 -0.78 0.24 0.00 -0.41 0.00 0.00 54.97 54.41 2rlo s GLU 86 Cb 0.04 -2.58 0.93 0.00 -1.78 0.00 0.00 34.13 30.74 2rlo s GLU 86 CO 0.21 0.56 1.83 0.93 -0.49 0.00 0.00 175.26 178.31 2rlo h GLU 87 N 3.68 0.00 -1.94 1.61 5.08 -1.96 -3.25 114.58 117.80 2rlo h GLU 87 Ca -0.48 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.28 2rlo h GLU 87 Cb 1.17 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.01 2rlo h GLU 87 CO 0.59 0.24 -0.55 0.39 -1.00 0.00 0.00 179.01 178.68 2rlo n GLU 88 N -3.43 3.40 -2.56 2.33 -0.58 -1.26 -4.02 120.64 114.51 2rlo n GLU 88 Ca -0.00 -4.65 -0.42 0.00 -0.42 0.00 0.00 57.16 51.67 2rlo n GLU 88 Cb 0.42 -2.25 -0.03 0.00 -0.57 0.00 0.00 31.44 29.01 2rlo n GLU 88 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2rlo s ASN 89 N -3.33 6.32 -0.47 1.62 3.04 -1.23 -4.98 114.94 115.92 2rlo s ASN 89 Ca 0.48 -0.12 -0.13 0.00 0.04 0.00 0.00 52.86 53.13 2rlo s ASN 89 Cb 0.33 -2.56 0.08 0.00 -1.54 0.00 0.00 41.25 37.57 2rlo s ASN 89 CO -0.17 -1.63 0.37 -0.36 -3.04 0.00 0.00 177.10 172.26 2rlo s PHE 90 N 5.30 3.28 -0.08 0.43 0.40 -1.26 -4.79 117.98 121.26 2rlo s PHE 90 Ca 0.40 -1.21 -0.04 0.00 -0.60 0.00 0.00 56.93 55.48 2rlo s PHE 90 Cb -0.08 -3.21 0.04 0.00 0.51 0.00 0.00 43.02 40.28 2rlo s PHE 90 CO 0.21 -0.85 0.19 -1.21 0.70 0.00 0.00 175.22 174.26 2rlo s GLU 91 N 1.56 0.16 0.29 0.44 2.02 -1.26 -3.26 118.70 118.65 2rlo s GLU 91 Ca 0.04 0.40 0.10 0.00 0.02 0.00 0.00 54.97 55.52 2rlo s GLU 91 Cb -0.25 -0.09 -0.06 0.00 0.10 0.00 0.00 34.13 33.83 2rlo s GLU 91 CO 0.04 -0.13 -0.13 -0.59 0.02 0.00 0.00 175.26 174.47 2rlo s PHE 92 N 0.95 2.18 0.10 1.61 -0.71 -0.55 -4.39 117.98 117.17 2rlo s PHE 92 Ca -0.07 -0.49 0.09 0.00 -1.04 0.00 0.00 56.93 55.42 2rlo s PHE 92 Cb -0.09 -1.11 -0.04 0.00 -1.21 0.00 0.00 43.02 40.58 2rlo s PHE 92 CO -0.05 0.54 -0.22 -0.51 -1.34 0.00 0.00 175.22 173.64 2rlo s LEU 93 N -3.50 2.29 -0.27 -1.99 1.43 0.28 -1.28 118.68 115.64 2rlo s LEU 93 Ca 0.30 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2rlo s LEU 93 Cb -0.00 -0.98 0.07 0.00 0.03 0.00 0.00 46.19 45.30 2rlo s LEU 93 CO 0.14 0.10 -0.08 -0.63 0.23 0.00 0.00 176.35 176.10 2rlo s ILE 94 N -1.11 2.12 -0.19 -0.59 -1.09 0.85 -1.87 121.20 119.33 2rlo s ILE 94 Ca 0.08 -1.69 -0.09 0.00 -2.23 0.00 0.00 60.65 56.72 2rlo s ILE 94 Cb -0.10 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 2rlo s ILE 94 CO 0.04 -0.11 0.11 -0.69 -1.23 0.00 0.00 174.94 173.06 2rlo s VAL 95 N 1.10 5.21 0.28 2.92 1.01 0.61 0.16 120.40 131.70 2rlo s VAL 95 Ca -0.06 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2rlo s VAL 95 Cb -0.20 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 32.87 2rlo s VAL 95 CO -0.06 0.46 0.38 -0.24 0.00 0.00 0.00 175.10 175.64 2rlo n SER 96 N 3.45 0.70 0.13 3.32 2.88 0.14 -0.67 113.62 123.57 2rlo n SER 96 Ca -0.16 -1.55 0.12 0.00 -1.33 0.00 0.00 58.87 55.95 2rlo n SER 96 Cb 0.52 -0.23 0.25 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.13 0.00 -0.66 -3.46 0.87 -1.87 -3.24 113.55 105.06 2rlo h SER 97 Ca -0.13 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.20 2rlo h SER 97 Cb 0.52 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.37 2rlo h SER 97 CO 0.15 0.02 0.21 1.07 -0.53 0.00 0.00 176.83 177.76 2rlo n THR 98 N -2.49 2.85 0.00 2.23 5.66 -1.26 -4.90 114.28 116.37 2rlo n THR 98 Ca 0.04 -1.72 0.00 0.00 -3.05 0.00 0.00 64.05 59.32 2rlo n THR 98 Cb 0.47 -0.34 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 -0.19 3.06 3.67 1.09 0.00 -1.22 -4.97 105.19 106.62 2rlo n GLY 99 Ca 0.38 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.85 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 1.22 -3.97 1.61 -0.06 -1.26 -4.62 117.38 108.30 2rlo n GLN 100 Ca 0.00 0.45 -0.30 0.00 -2.00 0.00 0.00 57.00 55.15 2rlo n GLN 100 Cb 0.00 -2.13 -0.16 0.00 -4.06 0.00 0.00 30.24 23.89 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 2.52 1.52 -0.46 1.69 2.01 -1.25 0.28 115.64 121.95 2rlo s THR 101 Ca 0.93 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 2rlo s THR 101 Cb -1.01 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 69.93 2rlo s THR 101 CO 0.58 0.15 0.45 0.26 -0.69 0.00 0.00 174.62 175.37 2rlo s TRP 102 N 1.45 3.18 -0.32 4.92 0.52 0.12 -4.87 118.94 123.93 2rlo s TRP 102 Ca -0.01 -0.66 -0.15 0.00 0.02 0.00 0.00 56.10 55.30 2rlo s TRP 102 Cb -0.16 -3.13 -0.02 0.00 -1.15 0.00 0.00 33.47 29.01 2rlo s TRP 102 CO -0.08 -0.81 0.35 -1.58 0.02 0.00 0.00 176.95 174.85 2rlo s HIS 103 N 2.01 3.22 0.30 -1.98 2.46 -1.26 -0.11 115.29 119.93 2rlo s HIS 103 Ca 0.09 0.07 0.08 0.00 0.47 0.00 0.00 55.06 55.76 2rlo s HIS 103 Cb -0.21 -2.63 -0.06 0.00 -0.13 0.00 0.00 32.58 29.55 2rlo s HIS 103 CO 0.10 -0.37 -0.07 -0.06 -2.47 0.00 0.00 174.74 171.86 2rlo s PHE 104 N 2.01 2.11 -0.25 3.88 0.08 -0.41 -4.33 117.98 121.07 2rlo s PHE 104 Ca 0.12 -0.63 -0.01 0.00 0.12 0.00 0.00 56.93 56.54 2rlo s PHE 104 Cb -0.16 -1.20 0.07 0.00 -0.57 0.00 0.00 43.02 41.16 2rlo s PHE 104 CO 0.11 0.39 0.02 -2.00 -0.10 0.00 0.00 175.22 173.64 2rlo s GLU 105 N -3.68 1.06 0.06 0.44 2.12 -0.23 -1.48 118.70 116.99 2rlo s GLU 105 Ca 0.30 -0.90 -0.35 0.00 0.36 0.00 0.00 54.97 54.38 2rlo s GLU 105 Cb 0.03 -2.31 -0.15 0.00 0.26 0.00 0.00 34.13 31.96 2rlo s GLU 105 CO 0.13 -0.74 1.57 0.00 -0.54 0.00 0.00 175.26 175.68 2rlo n ALA 106 N 4.81 0.42 0.25 6.30 0.00 -1.20 -2.07 120.51 129.01 2rlo n ALA 106 Ca -0.07 0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.88 2rlo n ALA 106 Cb 0.44 -2.28 0.62 0.00 0.00 0.00 0.00 19.45 18.23 2rlo n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rlo h ALA 107 N 6.12 1.78 -3.86 0.00 0.00 -1.92 -3.42 119.26 117.95 2rlo h ALA 107 Ca -0.46 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 53.82 2rlo h ALA 107 Cb 1.29 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.82 2rlo h ALA 107 CO 0.87 0.11 -0.83 -1.12 0.00 0.00 0.00 179.25 178.28 2rlo s SER 108 N -6.89 2.34 0.37 0.00 0.01 -1.26 -5.03 113.70 103.23 2rlo s SER 108 Ca -0.04 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 56.70 2rlo s SER 108 Cb 0.16 -0.16 0.71 0.00 0.21 0.00 0.00 66.02 66.94 2rlo s SER 108 CO 0.66 0.10 1.95 -0.26 0.41 0.00 0.00 173.24 176.11 2rlo h PHE 109 N 4.60 0.53 -0.23 2.43 0.04 -1.98 -0.82 116.94 121.51 2rlo h PHE 109 Ca -0.43 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.21 2rlo h PHE 109 Cb 1.17 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 2rlo h PHE 109 CO 0.55 0.45 -0.27 0.93 -0.60 0.00 0.00 178.31 179.37 2rlo h GLU 110 N 0.53 0.59 -0.11 1.51 3.07 -1.96 -3.01 114.58 115.18 2rlo h GLU 110 Ca 0.13 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.62 2rlo h GLU 110 Cb 0.16 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2rlo h GLU 110 CO -0.01 0.92 -0.14 1.49 -1.40 0.00 0.00 179.01 179.87 2rlo h GLU 111 N 0.29 0.18 -0.59 2.33 4.81 -1.87 -2.43 114.58 117.29 2rlo h GLU 111 Ca 0.03 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2rlo h GLU 111 Cb 0.83 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 2rlo h GLU 111 CO 0.06 0.33 0.28 -0.09 -0.73 0.00 0.00 179.01 178.87 2rlo h ARG 112 N 0.17 0.51 -0.07 1.92 9.65 -1.02 0.19 114.38 125.74 2rlo h ARG 112 Ca 0.04 -0.03 -0.17 0.00 -1.10 0.00 0.00 59.98 58.71 2rlo h ARG 112 Cb 0.36 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2rlo h ARG 112 CO 0.02 0.34 -0.63 0.38 2.80 0.00 0.00 179.97 182.88 2rlo h ASP 113 N 0.53 0.67 -0.13 -3.80 3.04 -1.52 -2.45 116.42 112.77 2rlo h ASP 113 Ca 0.27 -0.68 0.04 0.00 -3.24 0.00 0.00 57.03 53.42 2rlo h ASP 113 Cb 0.23 -0.20 -0.04 0.00 -1.04 0.00 0.00 39.33 38.28 2rlo h ASP 113 CO -0.21 1.26 -0.12 0.00 -2.04 0.00 0.00 179.24 178.12 2rlo h ALA 114 N 0.43 -0.03 0.41 4.15 0.00 -1.04 0.36 119.26 123.54 2rlo h ALA 114 Ca -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rlo h ALA 114 Cb 1.29 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2rlo h ALA 114 CO 0.13 -0.57 -0.37 -1.49 0.00 0.00 0.00 179.25 176.95 2rlo h TRP 115 N -0.15 -0.99 -0.86 0.00 4.06 -0.69 0.96 115.95 118.28 2rlo h TRP 115 Ca 0.09 0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.21 2rlo h TRP 115 Cb 0.28 0.38 -0.06 0.00 -1.00 0.00 0.00 29.16 28.75 2rlo h TRP 115 CO -0.24 -0.52 0.56 0.28 -3.56 0.00 0.00 178.44 174.96 2rlo h VAL 116 N -0.79 0.76 -0.01 1.49 2.07 -1.14 0.59 116.25 119.21 2rlo h VAL 116 Ca -0.04 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.14 2rlo h VAL 116 Cb 0.69 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2rlo h VAL 116 CO -0.04 0.09 -0.78 1.56 0.02 0.00 0.00 177.57 178.42 2rlo h GLN 117 N 0.50 0.14 -0.21 1.57 4.20 0.68 -2.55 115.11 119.44 2rlo h GLN 117 Ca 0.44 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.88 2rlo h GLN 117 Cb 0.94 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2rlo h GLN 117 CO -0.17 0.85 -0.42 0.00 -0.67 0.00 0.00 178.83 178.41 2rlo h ALA 118 N 1.11 0.88 0.13 3.87 0.00 0.60 0.34 119.26 126.18 2rlo h ALA 118 Ca -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2rlo h ALA 118 Cb 1.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2rlo h ALA 118 CO 0.11 0.64 -0.06 0.82 0.00 0.00 0.00 179.25 180.77 2rlo h ILE 119 N 0.41 1.05 -0.14 0.00 1.08 -0.41 0.69 117.51 120.20 2rlo h ILE 119 Ca 0.03 -0.86 -0.09 0.00 -0.39 0.00 0.00 64.86 63.55 2rlo h ILE 119 Cb 0.91 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 2rlo h ILE 119 CO 0.08 0.20 -0.33 -0.33 -0.69 0.00 0.00 178.15 177.08 2rlo h GLU 120 N -0.59 0.28 -0.44 2.37 5.08 -1.46 -1.72 114.58 118.11 2rlo h GLU 120 Ca -0.02 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 2rlo h GLU 120 Cb 0.46 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2rlo h GLU 120 CO 0.03 0.59 -0.21 1.03 -1.00 0.00 0.00 179.01 179.45 2rlo h SER 121 N 0.25 0.90 0.26 1.42 0.87 -0.27 -0.06 113.55 116.91 2rlo h SER 121 Ca 0.03 -0.33 -0.12 0.00 -1.23 0.00 0.00 61.79 60.15 2rlo h SER 121 Cb 0.71 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 2rlo h SER 121 CO 0.05 1.07 -0.46 1.56 -0.53 0.00 0.00 176.83 178.53 2rlo h GLN 122 N 0.77 0.25 -0.07 2.24 7.50 -0.55 -2.00 115.11 123.25 2rlo h GLN 122 Ca 0.11 -0.13 -0.20 0.00 0.50 0.00 0.00 58.65 58.92 2rlo h GLN 122 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.28 2rlo h GLN 122 CO 0.06 0.66 -0.80 0.82 -1.50 0.00 0.00 178.83 178.08 2rlo h ILE 123 N 0.20 1.36 -0.26 2.54 2.04 -1.02 -1.65 117.51 120.72 2rlo h ILE 123 Ca 0.01 -2.18 -0.12 0.00 1.00 0.00 0.00 64.86 63.58 2rlo h ILE 123 Cb 0.90 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2rlo h ILE 123 CO 0.07 0.66 -0.34 0.25 0.00 0.00 0.00 178.15 178.80 2rlo h LEU 124 N 0.33 0.57 -0.27 1.44 6.46 -0.85 -0.06 115.31 122.93 2rlo h LEU 124 Ca -0.05 -0.23 -0.20 0.00 -0.12 0.00 0.00 57.88 57.28 2rlo h LEU 124 Cb 1.40 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 2rlo h LEU 124 CO 0.14 0.87 -0.88 0.00 -0.62 0.00 0.00 178.44 177.95 2rlo h ALA 125 N 1.17 0.52 0.00 1.25 0.00 -1.34 -3.04 119.26 117.82 2rlo h ALA 125 Ca 0.05 -0.74 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 2rlo h ALA 125 Cb 0.81 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2rlo h ALA 125 CO 0.07 0.95 -0.86 1.03 0.00 0.00 0.00 179.25 180.44 2rlo h SER 126 N 0.08 0.00 0.10 0.00 0.87 -1.13 -3.36 113.55 110.11 2rlo h SER 126 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2rlo h SER 126 Cb 1.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2rlo h SER 126 CO 0.13 0.86 -0.05 0.25 -0.53 0.00 0.00 176.83 177.49 2rlo h LEU 127 N 0.00 -0.12 0.00 2.23 6.46 -1.01 -3.49 115.31 119.39 2rlo h LEU 127 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2rlo h LEU 127 Cb 1.57 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.52 2rlo h LEU 127 CO 0.11 -0.05 0.00 0.00 -0.62 0.00 0.00 178.44 177.88