#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rlo s ALA 2 N 0.00 3.08 -0.06 2.89 0.00 -1.26 -5.10 121.76 121.31 2rlo s ALA 2 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2rlo s ALA 2 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2rlo s ALA 2 CO 0.00 -1.44 -0.16 0.42 0.00 0.00 0.00 175.76 174.57 2rlo s ILE 3 N -3.32 1.41 0.17 0.00 -1.09 -1.26 -4.92 121.20 112.20 2rlo s ILE 3 Ca 0.62 -0.67 -0.32 0.00 -2.23 0.00 0.00 60.65 58.05 2rlo s ILE 3 Cb -0.10 -1.24 -0.11 0.00 -1.58 0.00 0.00 42.46 39.43 2rlo s ILE 3 CO 0.46 0.41 1.77 -2.65 -1.23 0.00 0.00 174.94 173.70 2rlo n PRO 4 N 3.47 2.79 0.07 2.79 -0.02 -1.26 -0.87 135.00 141.96 2rlo n PRO 4 Ca -0.20 1.01 0.11 0.00 -2.02 0.00 0.00 63.50 62.40 2rlo n PRO 4 Cb 0.52 -2.88 -0.05 0.00 -0.02 0.00 0.00 33.50 31.08 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 4.28 0.46 0.00 4.25 2.08 0.74 -4.87 119.36 126.30 2rlo n ILE 5 Ca 0.17 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 62.94 2rlo n ILE 5 Cb 0.36 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 2rlo n ILE 5 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2rlo n LYS 6 N -2.56 0.00 -3.82 0.38 3.00 -0.74 -4.85 118.16 109.57 2rlo n LYS 6 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.01 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 1.06 0.15 1.64 -2.07 -1.26 0.95 119.66 120.12 2rlo s GLN 7 Ca 0.00 -0.69 -0.10 0.00 -1.82 0.00 0.00 55.36 52.75 2rlo s GLN 7 Cb 0.00 -2.31 0.04 0.00 -1.09 0.00 0.00 33.01 29.65 2rlo s GLN 7 CO 0.00 -0.64 0.48 0.43 -1.32 0.00 0.00 175.29 174.24 2rlo n SER 8 N 4.88 -1.05 -4.73 12.60 7.64 -0.23 -4.98 113.62 127.75 2rlo n SER 8 Ca -0.10 -1.64 -0.41 0.00 1.01 0.00 0.00 58.87 57.73 2rlo n SER 8 Cb 0.46 1.73 -0.04 0.00 -1.01 0.00 0.00 64.21 65.35 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 -4.63 3.72 0.12 1.43 0.08 -1.26 -1.10 117.98 116.35 2rlo s PHE 9 Ca 0.10 1.64 0.08 0.00 0.12 0.00 0.00 56.93 58.87 2rlo s PHE 9 Cb -0.02 -2.99 -0.04 0.00 -0.57 0.00 0.00 43.02 39.40 2rlo s PHE 9 CO 0.04 0.15 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.62 2rlo s LEU 10 N 0.37 2.34 0.01 -0.37 1.02 -0.27 -4.24 118.68 117.55 2rlo s LEU 10 Ca 0.46 -0.74 -0.19 0.00 0.02 0.00 0.00 54.13 53.68 2rlo s LEU 10 Cb -0.21 -0.77 -0.06 0.00 0.02 0.00 0.00 46.19 45.16 2rlo s LEU 10 CO 0.26 -0.01 0.53 -0.76 0.02 0.00 0.00 176.35 176.40 2rlo s LEU 11 N -2.14 4.46 -0.10 1.79 1.02 -0.89 0.12 118.68 122.94 2rlo s LEU 11 Ca 0.08 1.12 0.02 0.00 0.02 0.00 0.00 54.13 55.37 2rlo s LEU 11 Cb -0.08 -2.82 0.01 0.00 0.02 0.00 0.00 46.19 43.33 2rlo s LEU 11 CO 0.04 0.20 -0.14 -0.75 0.02 0.00 0.00 176.35 175.72 2rlo s LYS 12 N -0.63 2.09 0.50 1.70 2.36 -0.78 0.55 119.74 125.53 2rlo s LYS 12 Ca 0.28 -0.52 -0.20 0.00 -2.55 0.00 0.00 55.97 52.98 2rlo s LYS 12 Cb -0.18 -1.77 -0.11 0.00 -1.05 0.00 0.00 37.83 34.73 2rlo s LYS 12 CO 0.16 -0.04 0.51 0.54 1.55 0.00 0.00 175.35 178.08 2rlo n ARG 13 N 4.11 0.54 -0.05 4.03 1.74 -1.25 -1.53 116.66 124.24 2rlo n ARG 13 Ca -0.20 0.20 -0.02 0.00 -0.77 0.00 0.00 57.85 57.07 2rlo n ARG 13 Cb 0.51 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 2rlo n ARG 13 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2rlo h SER 14 N 0.49 0.00 0.00 0.55 0.02 -1.05 -3.45 113.55 110.11 2rlo h SER 14 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2rlo h SER 14 Cb 1.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2rlo h SER 14 CO 0.49 0.50 0.00 0.61 -1.14 0.00 0.00 176.83 177.29 2rlo n GLY 15 N 1.71 -2.06 3.64 -3.77 0.00 -1.26 -5.06 105.19 98.38 2rlo n GLY 15 Ca -0.03 0.63 -0.49 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.64 2.47 -0.04 1.61 5.15 -1.26 -4.91 115.26 116.64 2rlo n ASN 16 Ca 0.00 1.09 -0.09 0.00 -0.60 0.00 0.00 54.58 54.98 2rlo n ASN 16 Cb 0.00 -1.32 -0.08 0.00 -0.53 0.00 0.00 39.78 37.85 2rlo n ASN 16 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2rlo h SER 17 N 5.48 -0.04 -0.91 1.20 0.02 -2.00 -3.12 113.55 114.19 2rlo h SER 17 Ca -0.46 -0.56 0.16 0.00 -0.84 0.00 0.00 61.79 60.09 2rlo h SER 17 Cb 1.29 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.77 2rlo h SER 17 CO 0.84 0.71 0.58 -0.07 -1.14 0.00 0.00 176.83 177.76 2rlo h LEU 18 N -0.96 0.61 -6.44 5.07 4.07 -2.08 -2.98 115.31 112.60 2rlo h LEU 18 Ca -0.00 0.05 -0.62 0.00 0.08 0.00 0.00 57.88 57.38 2rlo h LEU 18 Cb 0.59 -0.07 -0.41 0.00 1.08 0.00 0.00 40.66 41.86 2rlo h LEU 18 CO 0.01 0.28 -0.49 0.59 -1.08 0.00 0.00 178.44 177.75 2rlo n ASN 19 N -4.57 3.81 -4.63 -0.43 3.02 -1.25 -5.09 115.26 106.12 2rlo n ASN 19 Ca 0.19 -3.39 -0.37 0.00 -0.03 0.00 0.00 54.58 50.97 2rlo n ASN 19 Cb 0.54 -0.74 0.06 0.00 -0.61 0.00 0.00 39.78 39.03 2rlo n ASN 19 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2rlo n LYS 20 N 1.13 0.88 -3.21 3.52 4.76 -1.13 -4.56 118.16 119.55 2rlo n LYS 20 Ca 0.28 0.35 -0.01 0.00 -2.87 0.00 0.00 58.31 56.06 2rlo n LYS 20 Cb 0.39 -2.22 -0.02 0.00 -1.84 0.00 0.00 35.03 31.34 2rlo n LYS 20 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2rlo s GLU 21 N -2.90 0.60 0.03 1.97 2.12 -1.26 -5.00 118.70 114.25 2rlo s GLU 21 Ca 0.78 0.18 -0.20 0.00 0.36 0.00 0.00 54.97 56.08 2rlo s GLU 21 Cb -0.40 0.04 -0.06 0.00 0.26 0.00 0.00 34.13 33.97 2rlo s GLU 21 CO 0.45 -1.09 0.59 -1.58 -0.54 0.00 0.00 175.26 173.10 2rlo s TRP 22 N 2.45 3.73 0.27 5.30 0.52 -1.26 -0.32 118.94 129.63 2rlo s TRP 22 Ca 0.12 1.24 0.08 0.00 0.02 0.00 0.00 56.10 57.56 2rlo s TRP 22 Cb -0.09 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.61 2rlo s TRP 22 CO -0.21 0.44 0.11 0.15 0.02 0.00 0.00 176.95 177.46 2rlo s LYS 23 N -0.53 2.61 -0.08 4.98 1.02 -0.58 -4.75 119.74 122.41 2rlo s LYS 23 Ca 0.30 -1.25 -0.29 0.00 0.02 0.00 0.00 55.97 54.75 2rlo s LYS 23 Cb -0.19 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.70 2rlo s LYS 23 CO 0.18 0.36 1.79 0.15 -0.92 0.00 0.00 175.35 176.91 2rlo s LYS 24 N -3.77 3.98 0.49 1.68 -0.14 -1.26 -1.86 119.74 118.84 2rlo s LYS 24 Ca 0.33 2.17 0.03 0.00 -1.36 0.00 0.00 55.97 57.14 2rlo s LYS 24 Cb -0.07 -4.09 -0.03 0.00 -1.68 0.00 0.00 37.83 31.97 2rlo s LYS 24 CO 0.23 -1.11 0.01 0.21 -0.76 0.00 0.00 175.35 173.93 2rlo s LYS 25 N 4.54 2.15 -0.13 1.68 2.47 0.32 -4.54 119.74 126.23 2rlo s LYS 25 Ca 0.80 -2.33 -0.02 0.00 -1.56 0.00 0.00 55.97 52.86 2rlo s LYS 25 Cb -0.34 -1.57 0.04 0.00 -1.46 0.00 0.00 37.83 34.50 2rlo s LYS 25 CO 0.33 -0.30 0.03 -0.47 0.16 0.00 0.00 175.35 175.10 2rlo s TYR 26 N -2.84 0.74 0.09 4.03 6.14 -0.84 -1.12 117.35 123.56 2rlo s TYR 26 Ca 0.13 -0.44 0.09 0.00 0.64 0.00 0.00 57.07 57.49 2rlo s TYR 26 Cb 0.03 -0.87 -0.03 0.00 0.42 0.00 0.00 41.96 41.51 2rlo s TYR 26 CO 0.07 -0.45 -0.23 0.08 0.64 0.00 0.00 175.55 175.65 2rlo s VAL 27 N 1.95 1.89 -0.17 3.14 1.01 -0.25 0.19 120.40 128.17 2rlo s VAL 27 Ca 0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 60.46 2rlo s VAL 27 Cb -0.14 -1.68 0.06 0.00 0.00 0.00 0.00 36.38 34.61 2rlo s VAL 27 CO -0.07 0.09 0.08 -0.89 0.00 0.00 0.00 175.10 174.31 2rlo s THR 28 N -1.01 0.03 -0.33 3.92 2.01 0.85 -1.07 115.64 120.05 2rlo s THR 28 Ca 0.09 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.67 2rlo s THR 28 Cb -0.10 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 2rlo s THR 28 CO 0.04 -0.24 0.69 -0.22 -0.69 0.00 0.00 174.62 174.20 2rlo s LEU 29 N 2.08 4.16 0.27 4.42 1.98 0.27 -2.26 118.68 129.60 2rlo s LEU 29 Ca 0.02 0.39 0.07 0.00 -2.89 0.00 0.00 54.13 51.72 2rlo s LEU 29 Cb -0.16 -2.90 -0.03 0.00 0.66 0.00 0.00 46.19 43.76 2rlo s LEU 29 CO -0.08 -0.58 0.24 -0.55 -1.89 0.00 0.00 176.35 173.48 2rlo s SER 30 N 1.71 5.59 0.00 3.68 0.15 -1.02 0.26 113.70 124.07 2rlo s SER 30 Ca 0.28 -0.25 0.24 0.00 0.70 0.00 0.00 55.95 56.91 2rlo s SER 30 Cb -0.14 -1.38 1.43 0.00 -1.71 0.00 0.00 66.02 64.22 2rlo s SER 30 CO 0.14 -0.11 1.84 -0.24 1.20 0.00 0.00 173.24 176.07 2rlo n SER 31 N -1.26 0.00 -1.44 5.45 2.88 -0.05 -3.43 113.62 115.77 2rlo n SER 31 Ca -0.07 -0.97 -0.06 0.00 -1.33 0.00 0.00 58.87 56.45 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 -0.94 3.35 -3.88 -3.46 5.15 -1.26 -4.85 115.26 109.37 2rlo n ASN 32 Ca 0.18 -2.66 -0.29 0.00 -0.60 0.00 0.00 54.58 51.21 2rlo n ASN 32 Cb 0.08 -0.64 0.03 0.00 -0.53 0.00 0.00 39.78 38.73 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 -0.07 -0.50 2.80 8.20 0.00 -1.22 -4.97 105.19 109.43 2rlo n GLY 33 Ca 0.23 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.28 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 0.26 -0.27 1.61 5.36 -1.25 -1.99 117.98 118.38 2rlo s PHE 34 Ca 0.64 0.03 -0.07 0.00 -0.96 0.00 0.00 56.93 56.57 2rlo s PHE 34 Cb -0.32 -0.40 -0.01 0.00 -0.34 0.00 0.00 43.02 41.95 2rlo s PHE 34 CO 0.82 -0.14 0.07 -1.17 -1.46 0.00 0.00 175.22 173.34 2rlo s LEU 35 N 1.16 3.61 0.00 6.12 2.96 -0.91 -2.44 118.68 129.17 2rlo s LEU 35 Ca -0.08 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2rlo s LEU 35 Cb -0.13 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2rlo s LEU 35 CO -0.02 -0.12 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.03 2rlo s LEU 36 N 1.54 3.00 -0.14 -0.68 1.02 -0.96 0.00 118.68 122.47 2rlo s LEU 36 Ca 0.04 -0.21 -0.07 0.00 0.02 0.00 0.00 54.13 53.91 2rlo s LEU 36 Cb -0.16 -1.72 0.05 0.00 0.02 0.00 0.00 46.19 44.38 2rlo s LEU 36 CO 0.02 0.29 0.32 -0.72 0.02 0.00 0.00 176.35 176.28 2rlo s TYR 37 N -0.95 -0.46 0.23 0.29 -0.85 0.41 -0.10 117.35 115.92 2rlo s TYR 37 Ca 0.16 1.03 0.12 0.00 -0.52 0.00 0.00 57.07 57.85 2rlo s TYR 37 Cb -0.11 0.15 -0.05 0.00 0.38 0.00 0.00 41.96 42.34 2rlo s TYR 37 CO 0.06 -0.29 -0.22 -1.01 -1.52 0.00 0.00 175.55 172.58 2rlo s HIS 38 N 1.32 2.31 0.55 -3.49 3.76 0.13 -1.54 115.29 118.33 2rlo s HIS 38 Ca -0.09 -0.34 0.30 0.00 -0.15 0.00 0.00 55.06 54.78 2rlo s HIS 38 Cb -0.09 -1.08 1.47 0.00 1.11 0.00 0.00 32.58 33.98 2rlo s HIS 38 CO -0.11 0.59 1.89 -1.35 -0.85 0.00 0.00 174.74 174.92 2rlo h PRO 39 N 2.82 0.00 0.00 8.40 0.11 -1.86 -2.23 132.00 139.24 2rlo h PRO 39 Ca -0.44 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.79 2rlo h PRO 39 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2rlo h PRO 39 CO 0.53 0.00 0.35 0.45 -0.21 0.00 0.00 178.00 179.12 2rlo n SER 40 N -4.12 -0.70 -0.15 -2.05 2.88 -1.26 -4.41 113.62 103.80 2rlo n SER 40 Ca 0.15 -1.28 -0.09 0.00 -1.33 0.00 0.00 58.87 56.32 2rlo n SER 40 Cb 0.87 1.12 -0.00 0.00 -0.75 0.00 0.00 64.21 65.44 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 1.47 1.22 -0.76 2.46 5.03 -1.89 -2.15 117.51 122.89 2rlo h ILE 41 Ca -0.12 -0.72 0.22 0.00 -0.12 0.00 0.00 64.86 64.13 2rlo h ILE 41 Cb 0.56 0.88 -0.03 0.00 -3.03 0.00 0.00 36.82 35.20 2rlo h ILE 41 CO 0.16 0.26 0.57 0.78 -0.68 0.00 0.00 178.15 179.24 2rlo h ASN 42 N 0.55 0.00 0.18 1.72 2.35 -1.98 0.36 115.58 118.76 2rlo h ASN 42 Ca 0.14 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.62 2rlo h ASN 42 Cb 0.26 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.65 2rlo h ASN 42 CO -0.00 0.00 -1.11 0.44 -1.65 0.00 0.00 177.43 175.10 2rlo h ASP 43 N 0.00 0.78 0.07 5.81 5.19 -1.71 -1.71 116.42 124.85 2rlo h ASP 43 Ca 0.36 -0.67 -0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2rlo h ASP 43 Cb 1.50 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2rlo h ASP 43 CO -0.00 1.48 -0.03 0.22 -3.12 0.00 0.00 179.24 177.78 2rlo h TYR 44 N 0.29 -0.08 0.73 4.55 3.20 -0.17 0.90 116.97 126.39 2rlo h TYR 44 Ca -0.14 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 2rlo h TYR 44 Cb 1.77 0.03 0.01 0.00 1.54 0.00 0.00 36.73 40.07 2rlo h TYR 44 CO 0.09 0.40 -0.37 0.82 -1.64 0.00 0.00 178.16 177.47 2rlo h ILE 45 N -0.61 0.00 0.00 1.81 2.04 -0.61 -3.17 117.51 116.97 2rlo h ILE 45 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2rlo h ILE 45 Cb 0.52 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2rlo h ILE 45 CO 0.01 0.00 -0.32 0.45 0.00 0.00 0.00 178.15 178.30 2rlo h HIS 46 N -1.01 0.00 -3.40 1.37 3.86 -1.44 -3.49 115.15 111.05 2rlo h HIS 46 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2rlo h HIS 46 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2rlo h HIS 46 CO 0.03 0.32 -0.03 0.43 0.86 0.00 0.00 177.93 179.54 2rlo n SER 47 N -3.40 -2.99 -4.12 2.45 7.64 0.29 -5.02 113.62 108.46 2rlo n SER 47 Ca 0.00 0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 2rlo n SER 47 Cb 0.51 -1.74 -0.15 0.00 -1.01 0.00 0.00 64.21 61.82 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 -2.48 2.22 0.00 0.44 -4.23 0.45 -4.82 115.64 107.22 2rlo s THR 48 Ca 0.01 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 2rlo s THR 48 Cb -0.00 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2rlo s THR 48 CO 0.13 0.36 0.00 1.57 -0.54 0.00 0.00 174.62 176.13 2rlo n HIS 49 N 4.58 0.00 -3.07 3.99 -0.00 -1.26 -4.76 115.22 114.70 2rlo n HIS 49 Ca -0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.52 2rlo n HIS 49 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2rlo n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2rlo n GLY 50 N 0.00 -1.20 3.76 1.57 0.00 -1.26 -4.91 105.19 103.15 2rlo n GLY 50 Ca 0.00 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2rlo n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rlo s LYS 51 N -1.26 4.73 -0.03 1.61 2.47 -0.59 -4.91 119.74 121.76 2rlo s LYS 51 Ca 0.02 1.50 -0.01 0.00 -1.56 0.00 0.00 55.97 55.92 2rlo s LYS 51 Cb -0.00 -3.13 0.02 0.00 -1.46 0.00 0.00 37.83 33.26 2rlo s LYS 51 CO 0.27 0.39 0.06 -1.83 0.16 0.00 0.00 175.35 174.40 2rlo s GLU 52 N -1.47 0.03 -0.15 4.03 1.03 -1.26 -0.44 118.70 120.47 2rlo s GLU 52 Ca 0.44 0.17 0.01 0.00 0.03 0.00 0.00 54.97 55.62 2rlo s GLU 52 Cb -0.25 -0.11 0.02 0.00 -0.80 0.00 0.00 34.13 32.99 2rlo s GLU 52 CO 0.31 -0.09 -0.18 1.41 -1.33 0.00 0.00 175.26 175.38 2rlo s MET 53 N 0.60 2.71 0.15 -4.83 1.75 0.10 -4.97 119.30 114.81 2rlo s MET 53 Ca -0.05 -0.73 -0.33 0.00 -1.25 0.00 0.00 55.69 53.34 2rlo s MET 53 Cb -0.07 -2.30 -0.12 0.00 2.84 0.00 0.00 34.83 35.18 2rlo s MET 53 CO -0.02 -0.13 1.72 -0.40 -0.65 0.00 0.00 175.02 175.54 2rlo n ASP 54 N 4.41 3.69 -1.32 1.11 5.75 -1.26 -2.15 116.55 126.78 2rlo n ASP 54 Ca -0.19 1.04 0.04 0.00 -0.01 0.00 0.00 54.79 55.66 2rlo n ASP 54 Cb 0.51 -1.51 0.23 0.00 -1.03 0.00 0.00 41.12 39.32 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 4.44 3.79 -0.05 -2.12 4.77 -0.84 -4.29 117.00 122.70 2rlo n LEU 55 Ca 0.17 -1.93 -0.01 0.00 -0.03 0.00 0.00 56.01 54.22 2rlo n LEU 55 Cb 0.33 -0.61 -0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2rlo n LEU 55 CO 0.65 0.48 -0.09 0.25 -1.33 0.00 0.00 177.39 177.35 2rlo h LEU 56 N 2.30 0.00 -5.02 2.23 6.46 -1.87 -3.21 115.31 116.19 2rlo h LEU 56 Ca 0.01 0.00 -0.69 0.00 -0.12 0.00 0.00 57.88 57.08 2rlo h LEU 56 Cb 1.38 0.00 -0.34 0.00 -0.73 0.00 0.00 40.66 40.97 2rlo h LEU 56 CO 0.30 0.48 0.19 -1.14 -0.62 0.00 0.00 178.44 177.65 2rlo n ARG 57 N -4.30 3.41 -4.01 1.25 0.63 -1.26 -4.69 116.66 107.70 2rlo n ARG 57 Ca -0.02 -4.20 -0.22 0.00 -0.92 0.00 0.00 57.85 52.49 2rlo n ARG 57 Cb 0.07 -2.28 -0.04 0.00 0.45 0.00 0.00 32.46 30.65 2rlo n ARG 57 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2rlo s THR 58 N -5.08 4.00 0.29 5.15 -4.23 -1.26 -3.59 115.64 110.93 2rlo s THR 58 Ca 0.48 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2rlo s THR 58 Cb 0.37 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 2rlo s THR 58 CO -0.26 -0.28 0.12 -0.89 -0.54 0.00 0.00 174.62 172.77 2rlo s THR 59 N -2.22 0.51 -0.06 3.99 2.01 -0.14 -4.95 115.64 114.78 2rlo s THR 59 Ca 0.36 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.39 2rlo s THR 59 Cb -0.07 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.87 2rlo s THR 59 CO 0.25 0.00 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.33 2rlo s VAL 60 N -3.62 1.41 0.16 3.82 1.01 -1.26 -1.38 120.40 120.53 2rlo s VAL 60 Ca 0.36 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2rlo s VAL 60 Cb 0.06 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2rlo s VAL 60 CO 0.15 0.41 -0.12 -0.54 0.00 0.00 0.00 175.10 175.00 2rlo s LYS 61 N 0.29 1.13 -0.04 2.72 1.02 -0.89 -4.93 119.74 119.03 2rlo s LYS 61 Ca -0.09 -1.45 0.06 0.00 0.02 0.00 0.00 55.97 54.50 2rlo s LYS 61 Cb -0.14 -0.81 -0.01 0.00 -0.52 0.00 0.00 37.83 36.35 2rlo s LYS 61 CO 0.04 0.12 -0.22 0.08 -0.92 0.00 0.00 175.35 174.45 2rlo s VAL 62 N -3.02 1.78 -0.94 3.17 1.01 -1.26 0.07 120.40 121.20 2rlo s VAL 62 Ca 0.17 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 2rlo s VAL 62 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.82 2rlo s VAL 62 CO 0.03 0.50 2.21 -0.81 0.00 0.00 0.00 175.10 177.03 2rlo n PRO 63 N 2.92 2.21 0.00 2.72 -0.04 -1.26 -4.53 135.00 137.01 2rlo n PRO 63 Ca -0.17 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 2rlo n PRO 63 Cb 0.52 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2rlo n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rlo n GLY 64 N 3.69 1.98 3.38 0.55 0.00 -1.26 -5.00 105.19 108.52 2rlo n GLY 64 Ca 0.47 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2rlo n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2rlo n LYS 65 N 0.00 0.27 -1.12 1.61 0.00 -1.26 -4.94 118.16 112.72 2rlo n LYS 65 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 58.31 58.13 2rlo n LYS 65 Cb 0.00 -1.53 0.15 0.00 0.00 0.00 0.00 35.03 33.65 2rlo n LYS 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2rlo s ARG 66 N -2.08 1.08 -0.03 1.64 0.52 -1.26 -4.87 118.95 113.95 2rlo s ARG 66 Ca 0.62 0.87 -0.32 0.00 -0.52 0.00 0.00 55.73 56.39 2rlo s ARG 66 Cb -0.40 -1.78 -0.10 0.00 0.52 0.00 0.00 34.95 33.18 2rlo s ARG 66 CO 0.61 -2.38 1.94 -0.35 0.02 0.00 0.00 175.30 175.14 2rlo n PRO 67 N -3.99 2.53 -1.23 3.54 -0.04 -1.26 -4.94 135.00 129.62 2rlo n PRO 67 Ca 0.07 0.92 -0.35 0.00 -0.04 0.00 0.00 63.50 64.10 2rlo n PRO 67 Cb 0.55 -2.84 0.10 0.00 -0.04 0.00 0.00 33.50 31.27 2rlo n PRO 67 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2rlo n PRO 68 N 7.17 0.33 -3.22 0.54 -0.02 -1.26 -4.96 135.00 133.58 2rlo n PRO 68 Ca 0.22 0.17 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 2rlo n PRO 68 Cb 0.35 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 2rlo n PRO 68 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2rlo s ARG 69 N -3.57 3.79 -0.14 -0.52 0.52 -1.26 -4.94 118.95 112.83 2rlo s ARG 69 Ca 0.72 0.04 -0.10 0.00 -0.52 0.00 0.00 55.73 55.87 2rlo s ARG 69 Cb -0.32 -3.75 -0.24 0.00 0.52 0.00 0.00 34.95 31.16 2rlo s ARG 69 CO 0.52 -0.55 0.31 0.00 0.02 0.00 0.00 175.30 175.60 2rlo n ALA 70 N 5.72 0.88 0.07 2.13 0.00 -1.26 -4.42 120.51 123.63 2rlo n ALA 70 Ca -0.04 -0.59 -0.17 0.00 0.00 0.00 0.00 53.44 52.64 2rlo n ALA 70 Cb 0.49 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 2rlo n ALA 70 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2rlo h ILE 71 N -0.16 1.15 -0.02 0.00 5.03 -2.01 -3.39 117.51 118.11 2rlo h ILE 71 Ca -0.42 -2.78 -0.68 0.00 -0.12 0.00 0.00 64.86 60.86 2rlo h ILE 71 Cb 1.88 2.77 0.00 0.00 -3.03 0.00 0.00 36.82 38.45 2rlo h ILE 71 CO 0.02 0.82 2.69 -1.20 -0.68 0.00 0.00 178.15 179.80 2rlo n SER 72 N -3.47 3.21 -1.27 1.72 7.64 -1.26 -4.61 113.62 115.58 2rlo n SER 72 Ca -0.17 -2.76 0.05 0.00 1.01 0.00 0.00 58.87 57.01 2rlo n SER 72 Cb 1.05 -1.39 0.25 0.00 -1.01 0.00 0.00 64.21 63.10 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 6.92 3.15 -3.28 -0.43 0.00 -1.26 -4.88 120.51 120.73 2rlo n ALA 73 Ca 0.51 -1.13 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 2rlo n ALA 73 Cb 0.40 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 2rlo n ALA 73 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2rlo s PHE 74 N -1.94 -0.43 -0.13 0.00 0.08 -1.26 -5.12 117.98 109.18 2rlo s PHE 74 Ca 0.34 0.24 -0.27 0.00 0.12 0.00 0.00 56.93 57.35 2rlo s PHE 74 Cb 0.24 0.44 0.07 0.00 -0.57 0.00 0.00 43.02 43.20 2rlo s PHE 74 CO 0.13 -0.78 0.67 0.20 -0.10 0.00 0.00 175.22 175.34 2rlo s GLY 75 N -2.63 -0.53 0.93 4.36 0.00 -1.26 -5.17 107.32 103.00 2rlo s GLY 75 Ca 0.01 1.53 -0.12 0.00 0.00 0.00 0.00 44.72 46.13 2rlo s GLY 75 CO -0.11 1.21 1.11 2.56 0.00 0.00 0.00 173.10 177.88 2rlo s PRO 76 N -0.57 1.03 -0.29 2.90 0.04 -1.26 -5.08 135.00 131.77 2rlo s PRO 76 Ca -0.07 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.43 2rlo s PRO 76 Cb -0.02 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 32.90 2rlo s PRO 76 CO 0.06 -2.31 0.70 -1.12 0.04 0.00 0.00 177.00 174.37 2rlo s SER 77 N -3.78 -1.31 0.15 6.66 0.01 -1.26 -5.02 113.70 109.14 2rlo s SER 77 Ca 0.64 0.26 0.04 0.00 1.31 0.00 0.00 55.95 58.19 2rlo s SER 77 Cb -0.16 1.88 -0.06 0.00 0.21 0.00 0.00 66.02 67.88 2rlo s SER 77 CO 0.55 -0.24 1.34 0.00 0.41 0.00 0.00 173.24 175.30 2rlo h ALA 78 N 7.86 0.46 0.00 1.44 0.00 -2.06 -3.41 119.26 123.55 2rlo h ALA 78 Ca -0.06 -0.78 -0.20 0.00 0.00 0.00 0.00 54.91 53.87 2rlo h ALA 78 Cb 1.18 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 2rlo h ALA 78 CO 0.11 1.00 -0.35 0.45 0.00 0.00 0.00 179.25 180.45 2rlo n SER 79 N -3.57 -2.28 0.00 0.00 2.88 -1.26 -5.14 113.62 104.24 2rlo n SER 79 Ca -0.03 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.36 2rlo n SER 79 Cb 0.85 1.69 0.00 0.00 -0.75 0.00 0.00 64.21 66.00 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 0.90 0.67 2.73 0.46 0.00 -1.26 -4.32 105.19 104.38 2rlo n GLY 80 Ca 0.05 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 2rlo n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rlo n SER 81 N -2.42 2.67 -4.39 1.61 3.41 -1.26 -4.92 113.62 108.33 2rlo n SER 81 Ca 0.00 -3.14 -0.41 0.00 -0.26 0.00 0.00 58.87 55.06 2rlo n SER 81 Cb 0.00 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.12 2rlo n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rlo s ALA 82 N -1.47 3.30 0.00 7.33 0.00 -1.26 -4.37 121.76 125.29 2rlo s ALA 82 Ca 0.29 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2rlo s ALA 82 Cb 0.01 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.51 2rlo s ALA 82 CO -0.14 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.65 2rlo n GLY 83 N 5.01 1.88 2.67 0.00 0.00 -1.26 -5.05 105.19 108.44 2rlo n GLY 83 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.77 0.10 -1.99 1.61 7.27 -1.26 -5.12 117.38 117.22 2rlo n GLN 84 Ca 0.00 -0.74 -0.41 0.00 0.07 0.00 0.00 57.00 55.92 2rlo n GLN 84 Cb 0.00 0.07 -0.03 0.00 2.41 0.00 0.00 30.24 32.69 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 0.74 2.64 -0.35 1.69 0.00 -1.26 -4.96 121.76 120.27 2rlo s ALA 85 Ca 0.24 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2rlo s ALA 85 Cb 0.15 -4.10 0.05 0.00 0.00 0.00 0.00 23.12 19.22 2rlo s ALA 85 CO -0.10 -3.03 0.11 -1.21 0.00 0.00 0.00 175.76 171.52 2rlo s GLU 86 N 6.12 2.52 0.32 0.00 2.02 -1.26 -4.97 118.70 123.45 2rlo s GLU 86 Ca 0.77 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 54.48 2rlo s GLU 86 Cb -0.20 -3.44 0.54 0.00 0.10 0.00 0.00 34.13 31.13 2rlo s GLU 86 CO 0.30 -0.72 1.96 1.49 0.02 0.00 0.00 175.26 178.31 2rlo h GLU 87 N 8.17 0.97 -4.64 1.61 4.57 -2.06 -3.46 114.58 119.75 2rlo h GLU 87 Ca -0.22 -0.06 -0.38 0.00 -1.18 0.00 0.00 59.36 57.53 2rlo h GLU 87 Cb 1.07 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 2rlo h GLU 87 CO 0.61 0.64 -0.55 0.39 -1.18 0.00 0.00 179.01 178.93 2rlo n GLU 88 N -4.44 -3.78 -2.69 1.92 1.02 -1.26 -4.90 120.64 106.51 2rlo n GLU 88 Ca 0.10 0.72 -0.43 0.00 -0.02 0.00 0.00 57.16 57.53 2rlo n GLU 88 Cb 0.09 -5.48 -0.03 0.00 -0.02 0.00 0.00 31.44 26.00 2rlo n GLU 88 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2rlo s ASN 89 N -2.57 6.53 -0.43 1.62 3.84 -1.26 -5.00 114.94 117.67 2rlo s ASN 89 Ca 0.28 0.21 -0.22 0.00 0.21 0.00 0.00 52.86 53.34 2rlo s ASN 89 Cb -0.13 -2.51 0.02 0.00 -0.55 0.00 0.00 41.25 38.08 2rlo s ASN 89 CO 0.34 -1.23 0.73 -0.36 -2.79 0.00 0.00 177.10 173.80 2rlo s PHE 90 N 4.27 3.04 -0.07 0.43 0.40 -1.26 -5.03 117.98 119.76 2rlo s PHE 90 Ca 0.42 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.95 2rlo s PHE 90 Cb -0.09 -3.50 0.01 0.00 0.51 0.00 0.00 43.02 39.96 2rlo s PHE 90 CO 0.28 -0.89 -0.13 -1.21 0.70 0.00 0.00 175.22 173.97 2rlo s GLU 91 N 3.09 1.80 0.09 0.44 8.01 -1.26 -3.40 118.70 127.46 2rlo s GLU 91 Ca 0.28 -0.44 0.05 0.00 0.01 0.00 0.00 54.97 54.86 2rlo s GLU 91 Cb -0.13 -1.47 -0.03 0.00 -4.31 0.00 0.00 34.13 28.19 2rlo s GLU 91 CO 0.20 0.03 -0.14 -0.59 0.01 0.00 0.00 175.26 174.78 2rlo s PHE 92 N 0.65 1.27 0.05 1.61 -0.71 -0.85 -4.41 117.98 115.59 2rlo s PHE 92 Ca -0.15 -0.50 0.07 0.00 -1.04 0.00 0.00 56.93 55.31 2rlo s PHE 92 Cb -0.16 -0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 40.92 2rlo s PHE 92 CO 0.04 0.08 -0.17 -0.51 -1.34 0.00 0.00 175.22 173.32 2rlo s LEU 93 N -2.02 2.68 -0.30 -1.99 1.02 0.11 -1.61 118.68 116.56 2rlo s LEU 93 Ca 0.02 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.76 2rlo s LEU 93 Cb -0.08 -1.56 0.06 0.00 0.02 0.00 0.00 46.19 44.64 2rlo s LEU 93 CO 0.02 0.25 -0.01 -0.63 0.02 0.00 0.00 176.35 176.00 2rlo s ILE 94 N -0.96 2.70 -0.15 -0.59 -1.09 0.97 -2.10 121.20 119.98 2rlo s ILE 94 Ca 0.15 -1.60 -0.13 0.00 -2.23 0.00 0.00 60.65 56.85 2rlo s ILE 94 Cb -0.11 -2.63 -0.05 0.00 -1.58 0.00 0.00 42.46 38.10 2rlo s ILE 94 CO 0.06 -0.17 0.26 -0.69 -1.23 0.00 0.00 174.94 173.17 2rlo s VAL 95 N 1.17 5.32 0.29 2.92 1.01 -0.48 0.36 120.40 130.99 2rlo s VAL 95 Ca -0.04 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.43 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 -0.03 0.44 0.41 -0.24 0.00 0.00 0.00 175.10 175.67 2rlo n SER 96 N 3.26 0.66 0.13 3.32 2.88 0.26 -0.97 113.62 123.16 2rlo n SER 96 Ca -0.14 -1.53 0.12 0.00 -1.33 0.00 0.00 58.87 56.00 2rlo n SER 96 Cb 0.52 -0.25 0.20 0.00 -0.75 0.00 0.00 64.21 63.93 2rlo n SER 96 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2rlo h SER 97 N -0.18 0.00 -0.65 -3.46 4.64 -1.86 -3.26 113.55 108.78 2rlo h SER 97 Ca -0.13 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 60.97 2rlo h SER 97 Cb 0.52 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.52 2rlo h SER 97 CO 0.16 0.03 0.19 1.07 -0.87 0.00 0.00 176.83 177.40 2rlo n THR 98 N -2.54 2.84 0.00 2.95 5.66 -1.26 -4.90 114.28 117.02 2rlo n THR 98 Ca 0.03 -1.68 0.00 0.00 -3.05 0.00 0.00 64.05 59.36 2rlo n THR 98 Cb 0.48 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 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 -0.10 3.02 3.62 1.09 0.00 -1.23 -4.99 105.19 106.60 2rlo n GLY 99 Ca 0.37 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.65 1.28 -3.90 1.61 7.27 -1.26 -4.60 117.38 116.13 2rlo n GLN 100 Ca 0.00 0.46 -0.28 0.00 0.07 0.00 0.00 57.00 57.25 2rlo n GLN 100 Cb 0.00 -2.13 -0.16 0.00 2.41 0.00 0.00 30.24 30.36 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 1.01 1.17 -0.50 1.69 2.01 -1.26 0.90 115.64 120.66 2rlo s THR 101 Ca 0.86 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 2rlo s THR 101 Cb -0.94 -1.35 0.06 0.00 0.01 0.00 0.00 72.50 70.28 2rlo s THR 101 CO 0.48 0.11 0.61 0.26 -0.69 0.00 0.00 174.62 175.39 2rlo s TRP 102 N 1.60 3.06 -0.33 4.92 0.52 0.16 -4.85 118.94 124.02 2rlo s TRP 102 Ca 0.00 -0.56 -0.15 0.00 0.02 0.00 0.00 56.10 55.40 2rlo s TRP 102 Cb -0.16 -3.52 -0.02 0.00 -1.15 0.00 0.00 33.47 28.63 2rlo s TRP 102 CO -0.08 -1.02 0.37 -1.58 0.02 0.00 0.00 176.95 174.66 2rlo s HIS 103 N 2.57 3.21 0.18 -1.98 2.46 -1.26 -0.02 115.29 120.45 2rlo s HIS 103 Ca 0.14 0.06 0.09 0.00 0.47 0.00 0.00 55.06 55.83 2rlo s HIS 103 Cb -0.20 -2.66 -0.04 0.00 -0.13 0.00 0.00 32.58 29.55 2rlo s HIS 103 CO 0.12 -0.40 -0.20 -0.06 -2.47 0.00 0.00 174.74 171.73 2rlo s PHE 104 N 2.04 1.98 -0.44 3.88 0.08 -0.64 -3.96 117.98 120.92 2rlo s PHE 104 Ca 0.12 -0.43 0.04 0.00 0.12 0.00 0.00 56.93 56.78 2rlo s PHE 104 Cb -0.16 -0.98 0.12 0.00 -0.57 0.00 0.00 43.02 41.42 2rlo s PHE 104 CO 0.11 0.39 0.19 -2.00 -0.10 0.00 0.00 175.22 173.81 2rlo s GLU 105 N -2.76 1.68 1.00 0.44 2.12 0.19 -2.00 118.70 119.37 2rlo s GLU 105 Ca 0.17 -2.25 -0.19 0.00 0.36 0.00 0.00 54.97 53.06 2rlo s GLU 105 Cb -0.06 -3.10 -0.15 0.00 0.26 0.00 0.00 34.13 31.08 2rlo s GLU 105 CO 0.08 -1.06 -0.94 0.00 -0.54 0.00 0.00 175.26 172.80 2rlo n ALA 106 N 3.59 -5.47 -0.12 6.30 0.00 -1.22 -2.09 120.51 121.49 2rlo n ALA 106 Ca 0.05 -0.86 -0.25 0.00 0.00 0.00 0.00 53.44 52.37 2rlo n ALA 106 Cb 0.36 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 2rlo n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rlo n ALA 107 N -2.80 1.22 -2.74 0.00 0.00 -1.26 -4.76 120.51 110.17 2rlo n ALA 107 Ca -0.02 -1.01 -0.36 0.00 0.00 0.00 0.00 53.44 52.05 2rlo n ALA 107 Cb 0.61 0.13 -0.07 0.00 0.00 0.00 0.00 19.45 20.12 2rlo n ALA 107 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2rlo s SER 108 N -7.13 6.38 0.43 0.00 0.01 -1.26 -4.97 113.70 107.16 2rlo s SER 108 Ca -0.36 0.44 0.21 0.00 1.31 0.00 0.00 55.95 57.56 2rlo s SER 108 Cb 0.12 -2.13 1.17 0.00 0.21 0.00 0.00 66.02 65.39 2rlo s SER 108 CO 0.46 0.21 1.82 -0.26 0.41 0.00 0.00 173.24 175.88 2rlo h PHE 109 N 6.13 0.49 -0.03 2.43 -1.00 -1.96 0.81 116.94 123.82 2rlo h PHE 109 Ca -0.45 0.02 -0.17 0.00 2.81 0.00 0.00 57.97 60.17 2rlo h PHE 109 Cb 1.18 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.58 2rlo h PHE 109 CO 0.64 0.08 -0.75 0.93 -1.61 0.00 0.00 178.31 177.60 2rlo h GLU 110 N 0.33 0.21 -0.14 1.51 3.07 -2.00 -3.24 114.58 114.32 2rlo h GLU 110 Ca 0.53 -0.18 -0.22 0.00 -0.50 0.00 0.00 59.36 58.98 2rlo h GLU 110 Cb 1.46 0.04 0.01 0.00 -0.84 0.00 0.00 28.75 29.43 2rlo h GLU 110 CO -0.20 0.86 -0.79 1.49 -1.40 0.00 0.00 179.01 178.97 2rlo h GLU 111 N 0.14 0.77 -0.67 2.33 4.57 0.06 -2.27 114.58 119.51 2rlo h GLU 111 Ca -0.03 -0.64 0.07 0.00 -1.18 0.00 0.00 59.36 57.59 2rlo h GLU 111 Cb 1.32 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.98 2rlo h GLU 111 CO 0.11 1.24 0.35 0.07 -1.18 0.00 0.00 179.01 179.61 2rlo h ARG 112 N 0.52 0.62 -0.23 1.92 -0.00 -0.64 0.25 114.38 116.82 2rlo h ARG 112 Ca -0.06 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.98 59.71 2rlo h ARG 112 Cb 1.42 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 31.26 2rlo h ARG 112 CO 0.16 0.41 -0.55 -0.44 -0.00 0.00 0.00 179.97 179.55 2rlo h ASP 113 N 0.64 0.88 -0.24 0.08 3.32 -1.60 -2.51 116.42 116.99 2rlo h ASP 113 Ca 0.31 -0.56 0.02 0.00 0.02 0.00 0.00 57.03 56.82 2rlo h ASP 113 Cb 0.24 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2rlo h ASP 113 CO -0.21 1.28 0.09 0.00 -1.72 0.00 0.00 179.24 178.69 2rlo h ALA 114 N 0.62 0.28 0.23 3.45 0.00 -0.76 0.08 119.26 123.16 2rlo h ALA 114 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2rlo h ALA 114 Cb 1.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2rlo h ALA 114 CO 0.12 -0.32 -0.20 -1.49 0.00 0.00 0.00 179.25 177.36 2rlo h TRP 115 N 0.21 -0.53 -0.77 0.00 4.06 -0.54 1.22 115.95 119.61 2rlo h TRP 115 Ca 0.10 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.17 2rlo h TRP 115 Cb 0.06 0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.37 2rlo h TRP 115 CO -0.12 -0.30 0.50 0.28 -3.56 0.00 0.00 178.44 175.24 2rlo h VAL 116 N -0.45 0.90 0.00 1.49 2.07 -1.23 0.20 116.25 119.22 2rlo h VAL 116 Ca -0.01 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.13 2rlo h VAL 116 Cb 0.41 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2rlo h VAL 116 CO -0.03 0.11 -0.82 -0.61 0.02 0.00 0.00 177.57 176.24 2rlo h GLN 117 N 0.62 0.00 -0.14 1.57 -0.00 -0.21 -2.44 115.11 114.50 2rlo h GLN 117 Ca 0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.96 2rlo h GLN 117 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.04 2rlo h GLN 117 CO -0.13 0.82 -0.11 0.00 0.00 0.00 0.00 178.83 179.41 2rlo h ALA 118 N 1.18 0.20 -0.15 3.38 0.00 0.41 0.39 119.26 124.68 2rlo h ALA 118 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2rlo h ALA 118 Cb 1.61 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2rlo h ALA 118 CO 0.11 0.05 0.01 0.82 0.00 0.00 0.00 179.25 180.23 2rlo h ILE 119 N -0.04 1.25 -0.18 0.00 5.03 -0.83 0.39 117.51 123.13 2rlo h ILE 119 Ca 0.03 -0.81 -0.07 0.00 -0.12 0.00 0.00 64.86 63.89 2rlo h ILE 119 Cb 0.62 1.49 -0.01 0.00 -3.03 0.00 0.00 36.82 35.89 2rlo h ILE 119 CO 0.03 0.24 -0.19 -0.33 -0.68 0.00 0.00 178.15 177.22 2rlo h GLU 120 N 0.01 0.31 -0.19 2.37 5.08 -1.46 -1.62 114.58 119.07 2rlo h GLU 120 Ca 0.04 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2rlo h GLU 120 Cb 0.36 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2rlo h GLU 120 CO 0.01 0.50 -0.08 0.77 -1.00 0.00 0.00 179.01 179.20 2rlo h SER 121 N 0.29 0.40 -0.35 1.42 0.02 0.04 0.57 113.55 115.93 2rlo h SER 121 Ca 0.05 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2rlo h SER 121 Cb 0.50 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2rlo h SER 121 CO 0.03 0.71 0.13 1.56 -1.14 0.00 0.00 176.83 178.12 2rlo h GLN 122 N 0.08 0.61 -0.08 3.45 1.08 -0.70 -0.51 115.11 119.04 2rlo h GLN 122 Ca 0.04 -0.09 -0.20 0.00 -1.45 0.00 0.00 58.65 56.94 2rlo h GLN 122 Cb 0.56 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2rlo h GLN 122 CO 0.03 0.54 -0.79 0.82 -0.95 0.00 0.00 178.83 178.48 2rlo h ILE 123 N 0.60 1.35 -0.21 2.54 2.04 -1.15 -1.73 117.51 120.96 2rlo h ILE 123 Ca 0.14 -2.15 -0.11 0.00 1.00 0.00 0.00 64.86 63.74 2rlo h ILE 123 Cb 0.19 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2rlo h ILE 123 CO -0.01 0.66 -0.36 -0.07 0.00 0.00 0.00 178.15 178.37 2rlo h LEU 124 N 0.34 0.46 -0.23 1.44 4.07 -0.32 0.29 115.31 121.35 2rlo h LEU 124 Ca -0.05 -0.18 -0.21 0.00 0.08 0.00 0.00 57.88 57.52 2rlo h LEU 124 Cb 1.39 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 2rlo h LEU 124 CO 0.14 0.78 -0.91 0.00 -1.08 0.00 0.00 178.44 177.37 2rlo h ALA 125 N 1.24 0.47 0.02 1.53 0.00 -1.07 -3.03 119.26 118.43 2rlo h ALA 125 Ca 0.04 -0.74 -0.21 0.00 0.00 0.00 0.00 54.91 54.01 2rlo h ALA 125 Cb 0.80 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2rlo h ALA 125 CO 0.06 0.92 -0.95 0.77 0.00 0.00 0.00 179.25 180.05 2rlo h SER 126 N 0.12 0.18 0.28 0.00 0.02 -1.14 -3.20 113.55 109.81 2rlo h SER 126 Ca -0.05 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.64 2rlo h SER 126 Cb 1.55 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 2rlo h SER 126 CO 0.14 1.03 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.40 2rlo h LEU 127 N 0.06 0.16 -0.04 5.07 -0.00 -0.96 -3.50 115.31 116.09 2rlo h LEU 127 Ca -0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2rlo h LEU 127 Cb 1.62 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.24 2rlo h LEU 127 CO 0.14 0.54 0.00 0.00 -0.00 0.00 0.00 178.44 179.12