#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 2.97 -0.11 5.13 0.00 -1.26 -5.07 121.76 123.42 2rlo s ALA 2 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2rlo s ALA 2 Cb 0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 2rlo s ALA 2 CO 0.00 -1.62 -0.13 0.42 0.00 0.00 0.00 175.76 174.43 2rlo s ILE 3 N -3.42 3.09 0.12 0.00 -1.09 -1.26 -4.82 121.20 113.82 2rlo s ILE 3 Ca 0.64 -0.66 -0.32 0.00 -2.23 0.00 0.00 60.65 58.08 2rlo s ILE 3 Cb -0.08 -2.28 -0.11 0.00 -1.58 0.00 0.00 42.46 38.40 2rlo s ILE 3 CO 0.47 0.54 1.80 -2.65 -1.23 0.00 0.00 174.94 173.86 2rlo n PRO 4 N 3.27 2.65 0.04 2.79 -0.02 -1.26 -0.25 135.00 142.23 2rlo n PRO 4 Ca -0.18 0.96 0.11 0.00 -2.02 0.00 0.00 63.50 62.38 2rlo n PRO 4 Cb 0.53 -2.83 -0.06 0.00 -0.02 0.00 0.00 33.50 31.11 2rlo n PRO 4 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2rlo n ILE 5 N 4.50 0.28 0.00 4.25 2.08 1.05 -4.86 119.36 126.66 2rlo n ILE 5 Ca 0.18 -0.46 0.00 0.00 0.56 0.00 0.00 62.75 63.03 2rlo n ILE 5 Cb 0.35 -0.08 0.00 0.00 -0.75 0.00 0.00 39.64 39.17 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 -2.35 0.00 -3.84 0.38 3.00 -0.74 -4.83 118.16 109.78 2rlo n LYS 6 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.04 2rlo n LYS 6 Cb 0.53 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.39 2rlo n LYS 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2rlo s GLN 7 N 0.00 1.11 0.00 1.64 -0.44 -1.26 0.12 119.66 120.84 2rlo s GLN 7 Ca 0.00 -0.23 -0.14 0.00 -2.50 0.00 0.00 55.36 52.49 2rlo s GLN 7 Cb 0.00 -1.58 0.05 0.00 -1.64 0.00 0.00 33.01 29.84 2rlo s GLN 7 CO 0.00 -0.37 0.63 0.43 0.50 0.00 0.00 175.29 176.48 2rlo n SER 8 N 5.00 -0.65 -4.72 6.67 7.64 -0.16 -4.99 113.62 122.40 2rlo n SER 8 Ca -0.10 -1.18 -0.42 0.00 1.01 0.00 0.00 58.87 58.18 2rlo n SER 8 Cb 0.49 1.02 -0.04 0.00 -1.01 0.00 0.00 64.21 64.68 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2rlo s PHE 9 N -2.77 3.71 0.08 1.43 0.08 -1.26 -0.81 117.98 118.45 2rlo s PHE 9 Ca 0.15 1.72 0.07 0.00 0.12 0.00 0.00 56.93 58.99 2rlo s PHE 9 Cb -0.01 -3.12 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 2rlo s PHE 9 CO 0.00 -0.02 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.41 2rlo s LEU 10 N 0.48 2.26 -0.08 -0.37 1.02 -0.61 -4.25 118.68 117.12 2rlo s LEU 10 Ca 0.50 -0.62 -0.23 0.00 0.02 0.00 0.00 54.13 53.80 2rlo s LEU 10 Cb -0.23 -0.79 -0.04 0.00 0.02 0.00 0.00 46.19 45.15 2rlo s LEU 10 CO 0.29 0.04 0.66 -0.22 0.02 0.00 0.00 176.35 177.15 2rlo s LEU 11 N -1.67 4.31 -0.29 1.79 2.96 -0.94 0.97 118.68 125.80 2rlo s LEU 11 Ca 0.04 1.12 -0.04 0.00 -0.22 0.00 0.00 54.13 55.04 2rlo s LEU 11 Cb -0.10 -3.02 0.03 0.00 0.50 0.00 0.00 46.19 43.61 2rlo s LEU 11 CO 0.03 -0.10 0.02 -0.75 -1.32 0.00 0.00 176.35 174.23 2rlo s LYS 12 N 0.79 2.73 0.56 1.98 2.36 -0.67 0.30 119.74 127.79 2rlo s LYS 12 Ca 0.35 -1.08 -0.20 0.00 -2.55 0.00 0.00 55.97 52.50 2rlo s LYS 12 Cb -0.17 -3.23 -0.06 0.00 -1.05 0.00 0.00 37.83 33.33 2rlo s LYS 12 CO 0.17 -0.53 1.07 -2.13 1.55 0.00 0.00 175.35 175.48 2rlo n ARG 13 N 4.73 1.15 0.00 4.03 0.63 -1.22 -1.93 116.66 124.05 2rlo n ARG 13 Ca -0.14 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.22 2rlo n ARG 13 Cb 0.46 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 31.12 2rlo n ARG 13 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2rlo n SER 14 N -0.65 1.50 -1.60 6.15 3.41 0.11 -4.88 113.62 117.66 2rlo n SER 14 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2rlo n SER 14 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2rlo n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rlo n GLY 15 N 2.71 0.75 2.39 5.00 0.00 -1.25 -4.92 105.19 109.87 2rlo n GLY 15 Ca 0.00 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 2rlo n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rlo n ASN 16 N 0.00 2.07 -0.24 1.61 2.85 -0.93 -4.73 115.26 115.89 2rlo n ASN 16 Ca 0.00 -2.18 -0.05 0.00 -0.11 0.00 0.00 54.58 52.25 2rlo n ASN 16 Cb 0.00 -0.03 0.06 0.00 1.24 0.00 0.00 39.78 41.04 2rlo n ASN 16 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2rlo h SER 17 N 0.40 0.76 -0.03 1.20 0.02 -2.00 0.77 113.55 114.67 2rlo h SER 17 Ca -0.22 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 2rlo h SER 17 Cb 0.80 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2rlo h SER 17 CO 0.34 0.54 -0.10 0.25 -1.14 0.00 0.00 176.83 176.73 2rlo h LEU 18 N 0.90 0.27 -5.83 5.07 5.85 -2.06 -3.34 115.31 116.17 2rlo h LEU 18 Ca 0.26 -0.05 -0.47 0.00 0.84 0.00 0.00 57.88 58.46 2rlo h LEU 18 Cb -0.07 -0.07 -0.32 0.00 0.37 0.00 0.00 40.66 40.57 2rlo h LEU 18 CO -0.07 0.40 -0.90 -3.20 -0.34 0.00 0.00 178.44 174.33 2rlo n ASN 19 N -4.29 -0.94 -4.78 1.25 2.85 -0.71 -5.14 115.26 103.50 2rlo n ASN 19 Ca -0.00 -2.72 -0.30 0.00 -0.11 0.00 0.00 54.58 51.44 2rlo n ASN 19 Cb 0.26 0.06 0.10 0.00 1.24 0.00 0.00 39.78 41.44 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 -0.28 2.02 -0.30 1.20 1.02 0.26 -2.19 119.74 121.47 2rlo s LYS 20 Ca 0.33 0.80 -0.10 0.00 0.02 0.00 0.00 55.97 57.02 2rlo s LYS 20 Cb 0.12 -1.90 0.18 0.00 -0.52 0.00 0.00 37.83 35.72 2rlo s LYS 20 CO -0.15 -1.70 1.01 -2.00 -0.92 0.00 0.00 175.35 171.58 2rlo s GLU 21 N -5.05 0.18 0.04 1.68 2.56 -1.26 -4.75 118.70 112.10 2rlo s GLU 21 Ca 0.61 0.20 -0.01 0.00 0.00 0.00 0.00 54.97 55.78 2rlo s GLU 21 Cb -0.16 0.10 -0.04 0.00 2.00 0.00 0.00 34.13 36.03 2rlo s GLU 21 CO 0.55 -0.32 0.19 -1.58 -0.56 0.00 0.00 175.26 173.54 2rlo s TRP 22 N 2.95 3.51 0.19 5.30 0.52 -1.26 0.08 118.94 130.23 2rlo s TRP 22 Ca 0.22 0.28 0.11 0.00 0.02 0.00 0.00 56.10 56.72 2rlo s TRP 22 Cb -0.04 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 2rlo s TRP 22 CO -0.21 0.60 -0.21 0.15 0.02 0.00 0.00 176.95 177.30 2rlo s LYS 23 N -2.30 1.63 -0.10 4.98 3.01 -0.81 -4.81 119.74 121.34 2rlo s LYS 23 Ca 0.32 -1.47 -0.29 0.00 -1.01 0.00 0.00 55.97 53.52 2rlo s LYS 23 Cb -0.13 -1.91 -0.06 0.00 -1.01 0.00 0.00 37.83 34.72 2rlo s LYS 23 CO 0.24 0.41 1.92 0.15 0.51 0.00 0.00 175.35 178.58 2rlo s LYS 24 N -2.68 3.79 0.23 1.68 -0.14 -1.26 -1.67 119.74 119.68 2rlo s LYS 24 Ca 0.21 2.19 0.00 0.00 -1.36 0.00 0.00 55.97 57.02 2rlo s LYS 24 Cb -0.08 -4.17 0.00 0.00 -1.68 0.00 0.00 37.83 31.90 2rlo s LYS 24 CO 0.11 -1.33 0.04 1.17 -0.76 0.00 0.00 175.35 174.57 2rlo n LYS 25 N 7.86 1.39 -3.60 1.68 3.00 0.27 -4.40 118.16 124.36 2rlo n LYS 25 Ca 0.22 -1.61 -0.19 0.00 -0.00 0.00 0.00 58.31 56.73 2rlo n LYS 25 Cb 0.43 0.38 -0.15 0.00 0.00 0.00 0.00 35.03 35.69 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 -1.68 -0.15 0.15 5.64 6.14 -0.59 -1.58 117.35 125.28 2rlo s TYR 26 Ca 0.03 0.34 0.10 0.00 0.64 0.00 0.00 57.07 58.18 2rlo s TYR 26 Cb -0.00 -0.36 -0.04 0.00 0.42 0.00 0.00 41.96 41.98 2rlo s TYR 26 CO 0.02 -0.42 -0.22 0.08 0.64 0.00 0.00 175.55 175.65 2rlo s VAL 27 N 2.28 2.00 -0.04 3.14 1.01 0.01 0.20 120.40 129.00 2rlo s VAL 27 Ca 0.04 -1.82 -0.01 0.00 0.00 0.00 0.00 61.98 60.19 2rlo s VAL 27 Cb -0.14 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.41 2rlo s VAL 27 CO -0.08 -0.13 0.03 -0.89 0.00 0.00 0.00 175.10 174.02 2rlo s THR 28 N -1.56 0.07 -0.32 3.92 2.01 0.28 -0.99 115.64 119.04 2rlo s THR 28 Ca 0.14 0.24 -0.09 0.00 0.31 0.00 0.00 61.69 62.29 2rlo s THR 28 Cb -0.08 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.20 2rlo s THR 28 CO 0.07 0.17 0.14 -0.22 -0.69 0.00 0.00 174.62 174.09 2rlo s LEU 29 N 1.60 4.17 0.24 4.42 1.98 0.33 -2.24 118.68 129.18 2rlo s LEU 29 Ca -0.02 -0.68 0.07 0.00 -2.89 0.00 0.00 54.13 50.61 2rlo s LEU 29 Cb -0.13 -1.97 -0.04 0.00 0.66 0.00 0.00 46.19 44.71 2rlo s LEU 29 CO -0.03 -0.23 0.18 -0.55 -1.89 0.00 0.00 176.35 173.83 2rlo s SER 30 N 1.57 5.48 0.00 3.68 0.15 -1.10 0.34 113.70 123.82 2rlo s SER 30 Ca 0.03 -0.25 0.17 0.00 0.70 0.00 0.00 55.95 56.60 2rlo s SER 30 Cb -0.18 -1.39 1.04 0.00 -1.71 0.00 0.00 66.02 63.79 2rlo s SER 30 CO 0.05 -0.02 1.50 -0.24 1.20 0.00 0.00 173.24 175.73 2rlo n SER 31 N -1.08 0.00 -1.46 5.45 2.88 0.65 -3.33 113.62 116.74 2rlo n SER 31 Ca -0.08 -0.93 -0.06 0.00 -1.33 0.00 0.00 58.87 56.47 2rlo n SER 31 Cb 0.58 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.17 2rlo n SER 31 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2rlo n ASN 32 N -0.87 3.39 -3.94 -3.46 5.15 -1.26 -4.81 115.26 109.46 2rlo n ASN 32 Ca 0.13 -2.68 -0.31 0.00 -0.60 0.00 0.00 54.58 51.13 2rlo n ASN 32 Cb 0.06 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 38.69 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 -0.08 -0.49 2.84 8.20 0.00 -1.21 -4.91 105.19 109.55 2rlo n GLY 33 Ca 0.24 0.19 -0.16 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 -3.31 0.28 -0.23 1.61 2.19 -1.25 -0.48 117.98 116.79 2rlo s PHE 34 Ca 0.65 -0.00 -0.01 0.00 0.33 0.00 0.00 56.93 57.90 2rlo s PHE 34 Cb -0.33 -0.33 0.02 0.00 -1.31 0.00 0.00 43.02 41.06 2rlo s PHE 34 CO 0.84 -0.10 -0.10 -1.17 1.83 0.00 0.00 175.22 176.53 2rlo s LEU 35 N 0.75 2.88 0.14 6.12 2.96 -0.95 -2.72 118.68 127.84 2rlo s LEU 35 Ca -0.07 -0.75 0.11 0.00 -0.22 0.00 0.00 54.13 53.19 2rlo s LEU 35 Cb -0.11 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2rlo s LEU 35 CO -0.01 -0.08 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.94 2rlo s LEU 36 N 1.33 2.44 -0.19 -0.68 1.02 -0.95 -1.00 118.68 120.65 2rlo s LEU 36 Ca 0.02 -0.72 -0.16 0.00 0.02 0.00 0.00 54.13 53.29 2rlo s LEU 36 Cb -0.15 -1.29 0.05 0.00 0.02 0.00 0.00 46.19 44.82 2rlo s LEU 36 CO -0.06 0.17 0.50 -0.72 0.02 0.00 0.00 176.35 176.26 2rlo s TYR 37 N -1.18 -0.61 0.30 0.29 1.13 0.43 -0.56 117.35 117.15 2rlo s TYR 37 Ca 0.16 1.42 0.11 0.00 -1.41 0.00 0.00 57.07 57.35 2rlo s TYR 37 Cb -0.10 0.25 -0.06 0.00 -1.10 0.00 0.00 41.96 40.95 2rlo s TYR 37 CO 0.08 -0.31 -0.16 -1.01 -2.51 0.00 0.00 175.55 171.64 2rlo s HIS 38 N 0.62 2.33 0.44 -3.49 0.09 0.13 -1.26 115.29 114.15 2rlo s HIS 38 Ca -0.03 -0.40 0.24 0.00 -0.00 0.00 0.00 55.06 54.87 2rlo s HIS 38 Cb -0.05 -1.14 1.25 0.00 -0.00 0.00 0.00 32.58 32.64 2rlo s HIS 38 CO -0.04 0.66 1.77 -1.35 -0.00 0.00 0.00 174.74 175.78 2rlo h PRO 39 N 2.18 0.26 0.00 8.40 0.11 -1.80 -1.57 132.00 139.57 2rlo h PRO 39 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2rlo h PRO 39 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2rlo h PRO 39 CO 0.64 0.17 0.00 0.45 -0.21 0.00 0.00 178.00 179.05 2rlo n SER 40 N -4.52 0.00 -0.06 -2.05 2.88 -1.26 -3.90 113.62 104.71 2rlo n SER 40 Ca 0.26 -0.77 -0.11 0.00 -1.33 0.00 0.00 58.87 56.92 2rlo n SER 40 Cb 1.01 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.42 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 0.77 1.23 -0.60 2.46 5.03 -1.88 -2.30 117.51 122.21 2rlo h ILE 41 Ca 0.00 -0.75 0.17 0.00 -0.12 0.00 0.00 64.86 64.16 2rlo h ILE 41 Cb 0.00 1.34 -0.02 0.00 -3.03 0.00 0.00 36.82 35.11 2rlo h ILE 41 CO 0.00 0.23 0.55 -0.55 -0.68 0.00 0.00 178.15 177.70 2rlo h ASN 42 N 0.12 0.00 0.04 1.72 -1.07 -1.98 0.31 115.58 114.72 2rlo h ASN 42 Ca 0.06 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.22 2rlo h ASN 42 Cb 0.32 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.59 2rlo h ASN 42 CO 0.00 0.00 -0.83 0.44 0.07 0.00 0.00 177.43 177.12 2rlo h ASP 43 N 0.00 0.66 0.07 6.14 5.19 -1.66 -1.73 116.42 125.08 2rlo h ASP 43 Ca 0.29 -0.80 -0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2rlo h ASP 43 Cb 1.39 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2rlo h ASP 43 CO -0.00 1.37 -0.03 0.22 -3.12 0.00 0.00 179.24 177.68 2rlo h TYR 44 N 0.02 -0.08 0.67 4.55 3.20 -0.22 1.12 116.97 126.23 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 1.54 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.84 2rlo h TYR 44 CO 0.14 0.30 -0.36 0.82 -1.64 0.00 0.00 178.16 177.42 2rlo h ILE 45 N -0.48 0.00 0.00 1.81 2.04 -0.70 -3.16 117.51 117.02 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 0.42 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2rlo h ILE 45 CO 0.02 0.00 -0.29 0.45 0.00 0.00 0.00 178.15 178.32 2rlo h HIS 46 N -0.95 0.00 -3.24 1.37 3.86 -1.42 -3.49 115.15 111.29 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 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 2rlo h HIS 46 CO 0.02 0.29 -0.02 0.43 0.86 0.00 0.00 177.93 179.51 2rlo n SER 47 N -3.38 -2.60 -3.62 2.45 7.64 0.36 -5.02 113.62 109.45 2rlo n SER 47 Ca 0.00 0.02 -0.17 0.00 1.01 0.00 0.00 58.87 59.73 2rlo n SER 47 Cb 0.50 -1.45 -0.15 0.00 -1.01 0.00 0.00 64.21 62.11 2rlo n SER 47 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2rlo s THR 48 N -2.15 -0.29 -0.26 0.44 -4.23 0.55 -4.98 115.64 104.71 2rlo s THR 48 Ca 0.01 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.69 2rlo s THR 48 Cb -0.00 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.41 2rlo s THR 48 CO 0.08 0.03 0.09 1.41 -0.54 0.00 0.00 174.62 175.68 2rlo n HIS 49 N 5.32 -3.12 -3.51 3.99 8.25 -1.26 -4.55 115.22 120.35 2rlo n HIS 49 Ca -0.05 1.36 -0.29 0.00 -0.26 0.00 0.00 57.72 58.48 2rlo n HIS 49 Cb 0.50 -3.52 -0.12 0.00 1.12 0.00 0.00 29.99 27.97 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 -1.48 1.18 0.64 -1.41 0.00 -1.26 -3.61 107.32 101.38 2rlo s GLY 50 Ca 0.04 -2.23 -0.16 0.00 0.00 0.00 0.00 44.72 42.36 2rlo s GLY 50 CO 0.62 1.96 1.13 1.25 0.00 0.00 0.00 173.10 178.07 2rlo s LYS 51 N 0.56 2.82 -0.19 2.90 2.20 -0.39 -4.75 119.74 122.88 2rlo s LYS 51 Ca 0.22 1.51 -0.13 0.00 -0.36 0.00 0.00 55.97 57.22 2rlo s LYS 51 Cb -0.15 -1.94 0.06 0.00 -1.51 0.00 0.00 37.83 34.29 2rlo s LYS 51 CO -0.06 -1.26 0.47 -1.83 -0.36 0.00 0.00 175.35 172.32 2rlo s GLU 52 N -3.86 0.49 0.13 4.03 -1.05 -1.26 -0.42 118.70 116.76 2rlo s GLU 52 Ca 0.70 0.81 0.11 0.00 -0.15 0.00 0.00 54.97 56.44 2rlo s GLU 52 Cb -0.23 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.52 2rlo s GLU 52 CO 0.39 -0.13 -0.27 0.00 0.95 0.00 0.00 175.26 176.20 2rlo s MET 53 N 1.05 1.40 -0.10 -4.83 0.23 -0.17 -4.96 119.30 111.93 2rlo s MET 53 Ca -0.06 -1.36 -0.30 0.00 -1.03 0.00 0.00 55.69 52.94 2rlo s MET 53 Cb -0.06 -1.90 -0.02 0.00 -1.53 0.00 0.00 34.83 31.32 2rlo s MET 53 CO -0.09 0.45 1.08 0.16 -2.03 0.00 0.00 175.02 174.59 2rlo s ASP 54 N -2.08 7.16 -0.17 -1.18 -4.77 -1.26 -2.25 116.67 112.12 2rlo s ASP 54 Ca 0.14 1.62 0.01 0.00 -3.30 0.00 0.00 52.55 51.02 2rlo s ASP 54 Cb -0.10 -2.55 0.21 0.00 -1.09 0.00 0.00 42.92 39.39 2rlo s ASP 54 CO 0.06 -0.52 1.47 0.18 0.70 0.00 0.00 175.17 177.06 2rlo n LEU 55 N 5.24 4.70 -0.05 2.11 4.77 0.37 -4.17 117.00 129.97 2rlo n LEU 55 Ca 0.10 -2.41 -0.18 0.00 -0.03 0.00 0.00 56.01 53.49 2rlo n LEU 55 Cb 0.48 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.71 2rlo n LEU 55 CO 0.53 0.80 -0.01 -0.07 -1.33 0.00 0.00 177.39 177.31 2rlo h LEU 56 N 1.38 0.14 -5.46 2.23 3.38 -1.87 -3.22 115.31 111.88 2rlo h LEU 56 Ca 0.22 -0.86 -0.53 0.00 0.09 0.00 0.00 57.88 56.80 2rlo h LEU 56 Cb 1.48 -0.05 -0.41 0.00 0.09 0.00 0.00 40.66 41.77 2rlo h LEU 56 CO 0.42 1.28 -0.91 0.54 0.09 0.00 0.00 178.44 179.86 2rlo n ARG 57 N -4.38 2.23 -3.93 1.13 1.74 -1.26 -4.51 116.66 107.68 2rlo n ARG 57 Ca -0.18 -4.13 -0.21 0.00 -0.77 0.00 0.00 57.85 52.55 2rlo n ARG 57 Cb 0.65 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 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 -3.69 4.32 0.24 0.55 -4.23 -1.26 -3.96 115.64 107.61 2rlo s THR 58 Ca 0.44 -1.27 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 2rlo s THR 58 Cb 0.33 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 2rlo s THR 58 CO -0.11 -0.28 -0.06 -0.89 -0.54 0.00 0.00 174.62 172.75 2rlo s THR 59 N -2.15 1.42 -0.02 3.99 2.01 -0.37 -4.97 115.64 115.54 2rlo s THR 59 Ca 0.37 -2.10 0.00 0.00 0.31 0.00 0.00 61.69 60.27 2rlo s THR 59 Cb -0.08 -2.31 0.03 0.00 0.01 0.00 0.00 72.50 70.15 2rlo s THR 59 CO 0.27 -0.39 0.01 0.68 -0.69 0.00 0.00 174.62 174.51 2rlo s VAL 60 N -3.16 0.05 0.17 3.82 -7.23 -1.26 -1.52 120.40 111.27 2rlo s VAL 60 Ca 0.27 0.14 -0.15 0.00 -1.81 0.00 0.00 61.98 60.43 2rlo s VAL 60 Cb 0.04 -0.15 0.02 0.00 0.56 0.00 0.00 36.38 36.84 2rlo s VAL 60 CO 0.09 0.10 0.45 -1.59 -0.31 0.00 0.00 175.10 173.84 2rlo s LYS 61 N 0.95 1.27 0.20 4.82 -2.85 -0.94 -4.94 119.74 118.24 2rlo s LYS 61 Ca -0.09 -0.90 0.06 0.00 -1.00 0.00 0.00 55.97 54.04 2rlo s LYS 61 Cb -0.12 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 2rlo s LYS 61 CO -0.02 -0.52 0.13 0.14 0.10 0.00 0.00 175.35 175.18 2rlo s VAL 62 N -3.88 4.31 -0.57 1.79 -7.23 -1.26 0.11 120.40 113.67 2rlo s VAL 62 Ca 0.10 -1.29 -0.16 0.00 -1.81 0.00 0.00 61.98 58.82 2rlo s VAL 62 Cb 0.01 -3.24 -0.15 0.00 0.56 0.00 0.00 36.38 33.55 2rlo s VAL 62 CO -0.04 -0.21 1.79 -0.81 -0.31 0.00 0.00 175.10 175.52 2rlo n PRO 63 N -0.62 1.18 -3.46 4.82 -0.04 -1.26 -4.23 135.00 131.39 2rlo n PRO 63 Ca -0.08 -1.41 -0.20 0.00 -0.04 0.00 0.00 63.50 61.77 2rlo n PRO 63 Cb 0.56 -2.59 0.06 0.00 -0.04 0.00 0.00 33.50 31.49 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 4.34 -0.86 3.09 0.55 0.00 -1.26 -5.02 105.19 106.03 2rlo n GLY 64 Ca 0.41 0.41 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 2rlo n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rlo s LYS 65 N -5.19 0.62 0.61 1.61 -0.14 -1.26 -5.15 119.74 110.84 2rlo s LYS 65 Ca 0.32 -1.05 -0.15 0.00 -1.36 0.00 0.00 55.97 53.73 2rlo s LYS 65 Cb -0.07 -0.08 -0.03 0.00 -1.68 0.00 0.00 37.83 35.98 2rlo s LYS 65 CO 0.78 -0.03 1.06 -0.98 -0.76 0.00 0.00 175.35 175.43 2rlo s ARG 66 N -2.91 3.21 0.12 1.68 1.70 -1.26 -4.85 118.95 116.63 2rlo s ARG 66 Ca 0.01 1.19 -0.32 0.00 -0.47 0.00 0.00 55.73 56.13 2rlo s ARG 66 Cb -0.00 -2.02 -0.12 0.00 -0.57 0.00 0.00 34.95 32.24 2rlo s ARG 66 CO -0.04 -0.90 1.76 -0.35 -1.08 0.00 0.00 175.30 174.69 2rlo n PRO 67 N -2.22 2.53 -2.37 3.89 -0.04 -1.26 -4.94 135.00 130.61 2rlo n PRO 67 Ca 0.09 0.92 -0.42 0.00 -0.04 0.00 0.00 63.50 64.05 2rlo n PRO 67 Cb 0.53 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 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 2.20 4.37 -0.37 0.54 0.04 -1.26 -5.00 135.00 135.52 2rlo s PRO 68 Ca 0.82 1.81 -0.19 0.00 0.04 0.00 0.00 61.00 63.48 2rlo s PRO 68 Cb -0.57 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2rlo s PRO 68 CO 0.39 -0.39 0.55 1.03 0.04 0.00 0.00 177.00 178.62 2rlo s ARG 69 N 1.66 3.54 0.01 4.56 3.00 -1.26 -4.92 118.95 125.53 2rlo s ARG 69 Ca 0.59 -0.20 0.05 0.00 0.00 0.00 0.00 55.73 56.17 2rlo s ARG 69 Cb -0.29 -3.84 -0.24 0.00 0.00 0.00 0.00 34.95 30.57 2rlo s ARG 69 CO 0.27 -0.74 0.89 0.00 0.00 0.00 0.00 175.30 175.72 2rlo h ALA 70 N 8.55 0.47 0.00 2.13 0.00 -1.99 -3.41 119.26 125.02 2rlo h ALA 70 Ca -0.27 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.45 2rlo h ALA 70 Cb 1.12 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2rlo h ALA 70 CO 0.81 1.33 -0.28 0.82 0.00 0.00 0.00 179.25 181.93 2rlo h ILE 71 N 0.03 0.00 -2.55 0.00 2.04 -2.04 -3.51 117.51 111.48 2rlo h ILE 71 Ca -0.20 -0.66 0.14 0.00 1.00 0.00 0.00 64.86 65.13 2rlo h ILE 71 Cb 1.95 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 2rlo h ILE 71 CO 0.12 0.00 0.46 -0.94 0.00 0.00 0.00 178.15 177.79 2rlo s SER 72 N -4.93 -0.11 -0.12 1.72 1.04 -1.26 -5.02 113.70 105.02 2rlo s SER 72 Ca -0.08 -0.61 0.10 0.00 0.48 0.00 0.00 55.95 55.85 2rlo s SER 72 Cb 0.01 0.57 0.51 0.00 0.10 0.00 0.00 66.02 67.20 2rlo s SER 72 CO 0.12 -1.08 1.32 0.00 0.98 0.00 0.00 173.24 174.57 2rlo n ALA 73 N -0.54 3.17 -2.62 5.32 0.00 -1.26 -4.78 120.51 119.79 2rlo n ALA 73 Ca -0.05 -1.14 -0.19 0.00 0.00 0.00 0.00 53.44 52.06 2rlo n ALA 73 Cb 0.60 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.28 -1.48 0.00 7.35 -1.26 -4.18 117.46 117.14 2rlo n PHE 74 Ca 0.17 0.22 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 2rlo n PHE 74 Cb 0.75 -3.83 0.00 0.00 0.35 0.00 0.00 39.48 36.75 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 -1.21 -2.07 3.63 7.13 0.00 -1.26 -4.96 105.19 106.44 2rlo n GLY 75 Ca -0.16 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 2rlo n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rlo s PRO 76 N -0.34 3.77 -0.27 1.61 0.04 -1.26 -4.82 135.00 133.74 2rlo s PRO 76 Ca 0.00 1.53 0.15 0.00 0.04 0.00 0.00 61.00 62.72 2rlo s PRO 76 Cb 0.00 -4.02 0.40 0.00 0.04 0.00 0.00 34.50 30.92 2rlo s PRO 76 CO 0.00 -1.32 1.35 0.45 0.04 0.00 0.00 177.00 177.52 2rlo n SER 77 N 8.46 -0.42 0.07 6.66 2.88 -1.26 -4.93 113.62 125.08 2rlo n SER 77 Ca 0.18 -2.13 -0.13 0.00 -1.33 0.00 0.00 58.87 55.46 2rlo n SER 77 Cb 0.46 0.26 -0.13 0.00 -0.75 0.00 0.00 64.21 64.05 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 1.38 0.29 -4.92 -1.46 0.00 -2.02 -3.50 119.26 109.03 2rlo h ALA 78 Ca -0.36 -1.01 0.01 0.00 0.00 0.00 0.00 54.91 53.54 2rlo h ALA 78 Cb 1.33 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.11 2rlo h ALA 78 CO -0.08 1.16 -1.42 0.45 0.00 0.00 0.00 179.25 179.37 2rlo n SER 79 N -3.41 -3.33 0.00 0.00 2.88 -1.26 -5.08 113.62 103.42 2rlo n SER 79 Ca -0.09 1.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 2rlo n SER 79 Cb 1.01 -5.28 0.00 0.00 -0.75 0.00 0.00 64.21 59.19 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 1.78 5.40 2.50 0.46 0.00 -1.26 -5.11 105.19 108.96 2rlo n GLY 80 Ca -0.29 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 2rlo n GLY 80 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rlo n SER 81 N 0.00 1.75 -2.67 1.61 2.88 -1.26 -4.88 113.62 111.05 2rlo n SER 81 Ca 0.00 -2.96 -0.03 0.00 -1.33 0.00 0.00 58.87 54.55 2rlo n SER 81 Cb 0.00 -0.66 0.11 0.00 -0.75 0.00 0.00 64.21 62.91 2rlo n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rlo n ALA 82 N 1.76 -3.01 -0.97 -1.46 0.00 -1.26 -5.08 120.51 110.50 2rlo n ALA 82 Ca 0.25 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2rlo n ALA 82 Cb 0.44 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.88 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 0.53 0.31 0.64 0.00 0.00 -1.26 -4.53 105.19 100.88 2rlo n GLY 83 Ca -0.05 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 0.00 1.61 7.27 -1.26 -4.98 117.38 120.02 2rlo n GLN 84 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2rlo n GLN 84 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2rlo n ALA 85 N -1.48 0.00 -2.01 1.69 0.00 -1.26 -5.07 120.51 112.38 2rlo n ALA 85 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2rlo n ALA 85 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2rlo n ALA 85 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2rlo n GLU 86 N 0.00 0.19 0.03 0.00 2.13 -1.26 -5.00 120.64 116.73 2rlo n GLU 86 Ca 0.00 -0.76 -0.13 0.00 0.66 0.00 0.00 57.16 56.93 2rlo n GLU 86 Cb 0.00 0.46 -0.09 0.00 0.27 0.00 0.00 31.44 32.08 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 0.14 -0.08 -6.30 5.31 4.39 -2.03 -3.47 114.58 112.54 2rlo h GLU 87 Ca -0.40 0.01 -0.46 0.00 0.34 0.00 0.00 59.36 58.85 2rlo h GLU 87 Cb 1.18 0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.86 2rlo h GLU 87 CO -0.20 0.32 -0.89 0.39 -1.16 0.00 0.00 179.01 177.48 2rlo n GLU 88 N -4.93 -3.15 -3.47 2.33 1.02 -1.26 -4.94 120.64 106.23 2rlo n GLU 88 Ca -0.08 0.48 -0.43 0.00 -0.02 0.00 0.00 57.16 57.11 2rlo n GLU 88 Cb 0.23 -4.61 -0.08 0.00 -0.02 0.00 0.00 31.44 26.96 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 -4.12 5.92 -0.46 1.62 -0.87 -1.26 -5.04 114.94 110.74 2rlo s ASN 89 Ca 0.14 -1.51 -0.12 0.00 -1.57 0.00 0.00 52.86 49.79 2rlo s ASN 89 Cb -0.05 -2.10 0.09 0.00 -0.02 0.00 0.00 41.25 39.18 2rlo s ASN 89 CO 0.86 -0.64 0.34 -0.36 -2.57 0.00 0.00 177.10 174.73 2rlo s PHE 90 N 1.53 3.31 -0.16 2.20 0.40 -1.26 -4.91 117.98 119.09 2rlo s PHE 90 Ca 0.04 -1.37 -0.12 0.00 -0.60 0.00 0.00 56.93 54.88 2rlo s PHE 90 Cb -0.25 -3.20 0.05 0.00 0.51 0.00 0.00 43.02 40.13 2rlo s PHE 90 CO 0.04 -0.87 0.41 -1.21 0.70 0.00 0.00 175.22 174.28 2rlo s GLU 91 N 1.50 0.44 0.05 0.44 8.01 -1.26 -3.84 118.70 124.04 2rlo s GLU 91 Ca 0.04 0.64 0.04 0.00 0.01 0.00 0.00 54.97 55.70 2rlo s GLU 91 Cb -0.25 0.14 -0.02 0.00 -4.31 0.00 0.00 34.13 29.69 2rlo s GLU 91 CO 0.03 -0.09 -0.12 -0.59 0.01 0.00 0.00 175.26 174.49 2rlo s PHE 92 N 0.64 1.07 -0.08 1.61 -0.12 -0.83 -4.57 117.98 115.70 2rlo s PHE 92 Ca -0.03 -0.42 0.01 0.00 -0.05 0.00 0.00 56.93 56.44 2rlo s PHE 92 Cb -0.05 -0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 41.69 2rlo s PHE 92 CO -0.04 0.02 -0.08 -0.51 -0.05 0.00 0.00 175.22 174.56 2rlo s LEU 93 N -1.44 3.09 -0.32 -1.99 1.43 0.30 -1.48 118.68 118.27 2rlo s LEU 93 Ca -0.02 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2rlo s LEU 93 Cb -0.09 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.51 2rlo s LEU 93 CO 0.01 0.32 0.04 -0.63 0.23 0.00 0.00 176.35 176.32 2rlo s ILE 94 N -0.56 3.14 -0.25 -0.59 -1.09 0.06 -2.22 121.20 119.69 2rlo s ILE 94 Ca 0.08 -1.41 -0.11 0.00 -2.23 0.00 0.00 60.65 56.98 2rlo s ILE 94 Cb -0.12 -2.84 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 2rlo s ILE 94 CO 0.02 -0.18 0.17 -0.69 -1.23 0.00 0.00 174.94 173.03 2rlo s VAL 95 N 1.26 5.34 0.61 2.92 1.01 -0.57 0.13 120.40 131.10 2rlo s VAL 95 Ca -0.03 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2rlo s VAL 95 Cb -0.20 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.72 2rlo s VAL 95 CO -0.01 0.32 0.86 -0.55 0.00 0.00 0.00 175.10 175.72 2rlo s SER 96 N 1.24 5.01 0.21 3.32 0.15 0.11 -1.24 113.70 122.50 2rlo s SER 96 Ca 0.08 -0.02 0.21 0.00 0.70 0.00 0.00 55.95 56.92 2rlo s SER 96 Cb -0.14 -0.72 0.90 0.00 -1.71 0.00 0.00 66.02 64.35 2rlo s SER 96 CO 0.06 -1.36 1.64 -0.24 1.20 0.00 0.00 173.24 174.54 2rlo n SER 97 N -2.53 0.51 -1.90 5.45 2.88 -1.25 -2.15 113.62 114.63 2rlo n SER 97 Ca 0.09 0.64 -0.05 0.00 -1.33 0.00 0.00 58.87 58.23 2rlo n SER 97 Cb 0.60 -0.74 0.30 0.00 -0.75 0.00 0.00 64.21 63.62 2rlo n SER 97 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2rlo n THR 98 N -2.08 2.89 -0.90 2.46 -2.24 -1.26 -4.89 114.28 108.26 2rlo n THR 98 Ca 0.02 -1.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 2rlo n THR 98 Cb 0.20 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2rlo n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rlo n GLY 99 N -0.20 0.33 3.63 3.38 0.00 -0.91 -4.95 105.19 106.46 2rlo n GLY 99 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 2rlo n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rlo s GLN 100 N -0.85 3.95 -0.29 1.61 2.00 -1.26 -4.79 119.66 120.04 2rlo s GLN 100 Ca 0.00 1.25 -0.06 0.00 -2.00 0.00 0.00 55.36 54.55 2rlo s GLN 100 Cb 0.00 -3.86 0.01 0.00 0.80 0.00 0.00 33.01 29.97 2rlo s GLN 100 CO 0.00 -1.07 0.05 0.99 -0.50 0.00 0.00 175.29 174.76 2rlo s THR 101 N 4.23 3.73 -0.47 -0.34 2.01 -1.25 0.07 115.64 123.63 2rlo s THR 101 Ca 0.55 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 2rlo s THR 101 Cb -0.16 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.49 2rlo s THR 101 CO 0.22 0.10 0.38 0.26 -0.69 0.00 0.00 174.62 174.89 2rlo s TRP 102 N 1.46 3.25 -0.32 4.92 0.52 0.12 -4.88 118.94 124.00 2rlo s TRP 102 Ca 0.02 -0.92 -0.19 0.00 0.02 0.00 0.00 56.10 55.02 2rlo s TRP 102 Cb -0.17 -3.11 -0.01 0.00 -1.15 0.00 0.00 33.47 29.03 2rlo s TRP 102 CO 0.01 -0.78 0.58 -1.58 0.02 0.00 0.00 176.95 175.20 2rlo s HIS 103 N 1.64 3.20 0.30 -1.98 2.46 -1.26 -0.76 115.29 118.88 2rlo s HIS 103 Ca 0.04 0.41 0.10 0.00 0.47 0.00 0.00 55.06 56.08 2rlo s HIS 103 Cb -0.24 -2.96 -0.06 0.00 -0.13 0.00 0.00 32.58 29.19 2rlo s HIS 103 CO 0.07 -0.50 -0.13 -0.06 -2.47 0.00 0.00 174.74 171.65 2rlo s PHE 104 N 2.52 2.25 -0.31 3.88 0.08 -0.55 -3.41 117.98 122.44 2rlo s PHE 104 Ca 0.22 -0.47 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 2rlo s PHE 104 Cb -0.15 -1.16 0.10 0.00 -0.57 0.00 0.00 43.02 41.24 2rlo s PHE 104 CO 0.13 0.58 0.09 -2.00 -0.10 0.00 0.00 175.22 173.91 2rlo s GLU 105 N -3.59 0.76 -0.09 0.44 -6.30 0.15 -1.96 118.70 108.10 2rlo s GLU 105 Ca 0.30 -1.10 -0.37 0.00 -2.50 0.00 0.00 54.97 51.30 2rlo s GLU 105 Cb -0.00 -2.06 -0.14 0.00 0.00 0.00 0.00 34.13 31.92 2rlo s GLU 105 CO 0.15 -0.97 1.71 0.00 0.02 0.00 0.00 175.26 176.16 2rlo n ALA 106 N 4.82 0.28 0.12 6.30 0.00 -1.25 -2.22 120.51 128.57 2rlo n ALA 106 Ca -0.02 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.87 2rlo n ALA 106 Cb 0.42 -2.32 0.54 0.00 0.00 0.00 0.00 19.45 18.10 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 7.31 1.90 -4.05 0.00 0.00 -1.94 -3.41 119.26 119.07 2rlo h ALA 107 Ca -0.47 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 53.74 2rlo h ALA 107 Cb 1.30 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.78 2rlo h ALA 107 CO 0.92 0.08 -0.78 -1.12 0.00 0.00 0.00 179.25 178.35 2rlo s SER 108 N -6.84 3.97 0.27 0.00 0.01 -1.26 -5.02 113.70 104.83 2rlo s SER 108 Ca -0.06 -0.23 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 2rlo s SER 108 Cb 0.17 -0.80 0.41 0.00 0.21 0.00 0.00 66.02 66.01 2rlo s SER 108 CO 0.70 0.33 1.90 -0.26 0.41 0.00 0.00 173.24 176.32 2rlo h PHE 109 N 5.25 1.19 -0.06 2.43 -1.00 -1.99 -1.12 116.94 121.64 2rlo h PHE 109 Ca -0.46 0.03 -0.16 0.00 2.81 0.00 0.00 57.97 60.19 2rlo h PHE 109 Cb 1.15 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 2rlo h PHE 109 CO 0.50 0.64 -0.66 0.93 -1.61 0.00 0.00 178.31 178.11 2rlo h GLU 110 N 1.18 0.23 -0.40 1.51 4.39 -1.95 -3.13 114.58 116.41 2rlo h GLU 110 Ca 0.42 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.85 2rlo h GLU 110 Cb 0.12 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2rlo h GLU 110 CO -0.15 0.80 -0.14 1.49 -1.16 0.00 0.00 179.01 179.85 2rlo h GLU 111 N 0.16 0.73 -0.22 2.33 4.81 -1.66 -2.38 114.58 118.36 2rlo h GLU 111 Ca -0.01 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.00 2rlo h GLU 111 Cb 1.18 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 2rlo h GLU 111 CO 0.10 0.84 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.12 2rlo h ARG 112 N 0.66 0.06 -0.44 1.92 2.43 -1.19 0.18 114.38 118.00 2rlo h ARG 112 Ca 0.11 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2rlo h ARG 112 Cb 0.62 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2rlo h ARG 112 CO 0.04 0.04 0.10 0.22 -1.51 0.00 0.00 179.97 178.86 2rlo h ASP 113 N 0.06 0.67 -0.09 -3.80 1.82 -1.60 -0.74 116.42 112.74 2rlo h ASP 113 Ca 0.11 -0.24 0.03 0.00 -0.39 0.00 0.00 57.03 56.54 2rlo h ASP 113 Cb 0.14 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 39.93 2rlo h ASP 113 CO -0.18 0.74 -0.12 0.00 -1.61 0.00 0.00 179.24 178.06 2rlo h ALA 114 N 0.96 -0.06 0.32 -0.78 0.00 -0.93 0.32 119.26 119.08 2rlo h ALA 114 Ca 0.14 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2rlo h ALA 114 Cb 0.33 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2rlo h ALA 114 CO 0.00 -0.58 -0.31 -1.49 0.00 0.00 0.00 179.25 176.87 2rlo h TRP 115 N -0.16 -0.83 -0.91 0.00 4.06 -0.52 1.10 115.95 118.69 2rlo h TRP 115 Ca 0.07 0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.19 2rlo h TRP 115 Cb 0.26 0.32 -0.07 0.00 -1.00 0.00 0.00 29.16 28.67 2rlo h TRP 115 CO -0.22 -0.44 0.59 0.28 -3.56 0.00 0.00 178.44 175.08 2rlo h VAL 116 N -0.65 0.79 0.00 1.49 2.07 -0.83 0.48 116.25 119.59 2rlo h VAL 116 Ca -0.02 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.11 2rlo h VAL 116 Cb 0.59 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2rlo h VAL 116 CO -0.06 0.12 -0.80 1.56 0.02 0.00 0.00 177.57 178.41 2rlo h GLN 117 N 0.65 0.00 -0.41 1.57 1.08 0.51 -2.54 115.11 115.97 2rlo h GLN 117 Ca 0.47 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.53 2rlo h GLN 117 Cb 0.83 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 2rlo h GLN 117 CO -0.23 0.80 -0.32 0.00 -0.95 0.00 0.00 178.83 178.14 2rlo h ALA 118 N 1.20 0.66 0.13 3.87 0.00 0.56 0.43 119.26 126.10 2rlo h ALA 118 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2rlo h ALA 118 Cb 1.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2rlo h ALA 118 CO 0.10 0.67 -0.06 0.82 0.00 0.00 0.00 179.25 180.78 2rlo h ILE 119 N 0.77 1.03 -0.20 0.00 1.08 -0.49 -0.72 117.51 118.98 2rlo h ILE 119 Ca 0.08 -0.76 -0.06 0.00 -0.39 0.00 0.00 64.86 63.73 2rlo h ILE 119 Cb 0.90 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.13 2rlo h ILE 119 CO 0.08 0.18 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.23 2rlo h GLU 120 N -0.54 0.33 -0.60 2.37 5.08 -1.46 -1.86 114.58 117.89 2rlo h GLU 120 Ca -0.02 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2rlo h GLU 120 Cb 0.43 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2rlo h GLU 120 CO 0.03 0.48 0.07 1.03 -1.00 0.00 0.00 179.01 179.62 2rlo h SER 121 N 0.30 0.98 0.23 1.42 0.87 -0.02 0.62 113.55 117.95 2rlo h SER 121 Ca 0.06 -0.28 -0.12 0.00 -1.23 0.00 0.00 61.79 60.22 2rlo h SER 121 Cb 0.46 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2rlo h SER 121 CO 0.03 1.01 -0.45 1.56 -0.53 0.00 0.00 176.83 178.45 2rlo h GLN 122 N 0.92 0.28 -0.15 2.24 7.50 -0.75 -2.07 115.11 123.08 2rlo h GLN 122 Ca 0.18 -0.15 -0.21 0.00 0.50 0.00 0.00 58.65 58.98 2rlo h GLN 122 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.01 2rlo h GLN 122 CO 0.02 0.68 -0.73 0.82 -1.50 0.00 0.00 178.83 178.12 2rlo h ILE 123 N 0.23 1.30 -0.43 2.54 2.04 -1.02 -1.16 117.51 121.02 2rlo h ILE 123 Ca 0.02 -1.97 -0.10 0.00 1.00 0.00 0.00 64.86 63.81 2rlo h ILE 123 Cb 0.89 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 2rlo h ILE 123 CO 0.07 0.62 -0.12 0.25 0.00 0.00 0.00 178.15 178.97 2rlo h LEU 124 N 0.48 0.77 -0.39 1.44 6.46 -0.75 0.39 115.31 123.71 2rlo h LEU 124 Ca -0.04 -0.23 -0.14 0.00 -0.12 0.00 0.00 57.88 57.35 2rlo h LEU 124 Cb 1.33 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 41.04 2rlo h LEU 124 CO 0.14 0.91 -0.67 0.00 -0.62 0.00 0.00 178.44 178.21 2rlo h ALA 125 N 1.16 0.71 0.09 1.25 0.00 -1.34 -3.25 119.26 117.88 2rlo h ALA 125 Ca 0.12 -0.61 -0.28 0.00 0.00 0.00 0.00 54.91 54.14 2rlo h ALA 125 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2rlo h ALA 125 CO 0.04 0.83 -1.42 0.77 0.00 0.00 0.00 179.25 179.47 2rlo h SER 126 N 0.00 0.30 -0.22 0.00 0.02 -0.88 -3.30 113.55 109.47 2rlo h SER 126 Ca -0.01 -0.39 0.04 0.00 -0.84 0.00 0.00 61.79 60.59 2rlo h SER 126 Cb 1.33 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 2rlo h SER 126 CO 0.09 1.32 0.16 0.25 -1.14 0.00 0.00 176.83 177.50 2rlo h LEU 127 N 0.05 0.11 0.00 5.07 7.12 -0.26 -3.49 115.31 123.91 2rlo h LEU 127 Ca -0.20 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.81 2rlo h LEU 127 Cb 1.97 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 42.08 2rlo h LEU 127 CO 0.15 0.07 0.00 0.00 -0.13 0.00 0.00 178.44 178.54