#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 3.76 -0.09 2.89 0.00 -1.26 -5.01 121.76 122.05 2rlo s ALA 2 Ca 0.00 -1.90 0.03 0.00 0.00 0.00 0.00 51.96 50.09 2rlo s ALA 2 Cb 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2rlo s ALA 2 CO 0.00 -0.20 -0.19 0.42 0.00 0.00 0.00 175.76 175.79 2rlo s ILE 3 N -2.62 2.52 0.08 0.00 -1.09 -1.26 -4.83 121.20 113.99 2rlo s ILE 3 Ca 0.39 -0.87 -0.33 0.00 -2.23 0.00 0.00 60.65 57.60 2rlo s ILE 3 Cb 0.02 -1.99 -0.12 0.00 -1.58 0.00 0.00 42.46 38.79 2rlo s ILE 3 CO 0.22 0.55 1.75 -2.65 -1.23 0.00 0.00 174.94 173.59 2rlo n PRO 4 N 3.22 2.40 0.06 2.79 -0.02 -1.26 -0.64 135.00 141.55 2rlo n PRO 4 Ca -0.18 0.87 0.10 0.00 -2.02 0.00 0.00 63.50 62.27 2rlo n PRO 4 Cb 0.53 -2.71 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 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 4.35 0.51 0.00 4.25 2.08 0.79 -4.86 119.36 126.48 2rlo n ILE 5 Ca 0.19 -0.55 0.00 0.00 0.56 0.00 0.00 62.75 62.94 2rlo n ILE 5 Cb 0.32 -0.28 0.00 0.00 -0.75 0.00 0.00 39.64 38.93 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 -2.58 0.00 -3.84 0.38 3.00 -0.77 -4.89 118.16 109.46 2rlo n LYS 6 Ca -0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.99 2rlo n LYS 6 Cb 0.59 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.46 2rlo n LYS 6 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2rlo s GLN 7 N 0.00 1.13 0.16 1.64 -2.07 -1.26 0.86 119.66 120.13 2rlo s GLN 7 Ca 0.00 -0.78 -0.09 0.00 -1.82 0.00 0.00 55.36 52.67 2rlo s GLN 7 Cb 0.00 -2.35 0.03 0.00 -1.09 0.00 0.00 33.01 29.60 2rlo s GLN 7 CO 0.00 -0.66 0.47 0.43 -1.32 0.00 0.00 175.29 174.21 2rlo n SER 8 N 4.84 -1.08 -4.77 12.60 7.64 -0.04 -4.98 113.62 127.83 2rlo n SER 8 Ca -0.10 -1.68 -0.39 0.00 1.01 0.00 0.00 58.87 57.71 2rlo n SER 8 Cb 0.45 1.78 -0.06 0.00 -1.01 0.00 0.00 64.21 65.37 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 -4.82 3.91 0.10 1.43 0.08 -1.26 -0.55 117.98 116.87 2rlo s PHE 9 Ca 0.10 1.69 0.03 0.00 0.12 0.00 0.00 56.93 58.87 2rlo s PHE 9 Cb -0.02 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 2rlo s PHE 9 CO 0.05 0.49 -0.09 -0.51 -0.10 0.00 0.00 175.22 175.05 2rlo s LEU 10 N -1.21 2.44 -0.13 -0.37 1.02 -0.67 -4.28 118.68 115.47 2rlo s LEU 10 Ca 0.37 -0.86 -0.16 0.00 0.02 0.00 0.00 54.13 53.50 2rlo s LEU 10 Cb -0.23 -0.26 -0.04 0.00 0.02 0.00 0.00 46.19 45.67 2rlo s LEU 10 CO 0.27 -0.31 0.39 -0.22 0.02 0.00 0.00 176.35 176.51 2rlo s LEU 11 N -2.62 4.27 -0.21 1.79 2.96 -0.94 0.11 118.68 124.05 2rlo s LEU 11 Ca 0.07 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 2rlo s LEU 11 Cb -0.01 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.15 2rlo s LEU 11 CO -0.01 0.06 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.22 2rlo s LYS 12 N 0.45 3.07 0.54 1.98 2.47 -0.44 -0.08 119.74 127.74 2rlo s LYS 12 Ca 0.22 -0.80 -0.20 0.00 -1.56 0.00 0.00 55.97 53.63 2rlo s LYS 12 Cb -0.14 -2.82 -0.08 0.00 -1.46 0.00 0.00 37.83 33.33 2rlo s LYS 12 CO 0.08 -0.25 0.83 -2.13 0.16 0.00 0.00 175.35 174.03 2rlo n ARG 13 N 4.69 0.89 -0.09 4.03 0.63 -1.25 -1.58 116.66 123.98 2rlo n ARG 13 Ca -0.19 0.34 -0.16 0.00 -0.92 0.00 0.00 57.85 56.91 2rlo n ARG 13 Cb 0.49 -1.97 -0.13 0.00 0.45 0.00 0.00 32.46 31.30 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 0.02 1.55 0.00 6.15 3.41 0.30 -4.86 113.62 120.19 2rlo n SER 14 Ca 0.12 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2rlo n SER 14 Cb 0.45 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 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 2.07 3.01 1.44 5.00 0.00 -1.26 -5.02 105.19 110.42 2rlo n GLY 15 Ca -0.39 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2rlo n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rlo n ASN 16 N 0.00 -7.83 -0.08 1.61 4.13 -1.26 -4.13 115.26 107.71 2rlo n ASN 16 Ca 0.00 1.29 -0.10 0.00 1.68 0.00 0.00 54.58 57.45 2rlo n ASN 16 Cb 0.00 -4.33 -0.05 0.00 -1.54 0.00 0.00 39.78 33.85 2rlo n ASN 16 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2rlo h SER 17 N 1.12 0.00 -0.82 6.41 0.02 -2.02 -3.19 113.55 115.07 2rlo h SER 17 Ca 0.00 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2rlo h SER 17 Cb 0.24 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 2rlo h SER 17 CO 0.00 0.93 0.55 -0.07 -1.14 0.00 0.00 176.83 177.10 2rlo h LEU 18 N -1.00 0.94 -5.11 5.07 3.38 -2.08 -2.79 115.31 113.72 2rlo h LEU 18 Ca -0.09 -0.02 -0.71 0.00 0.09 0.00 0.00 57.88 57.14 2rlo h LEU 18 Cb 0.68 -0.24 -0.33 0.00 0.09 0.00 0.00 40.66 40.87 2rlo h LEU 18 CO -0.06 0.68 0.40 -3.20 0.09 0.00 0.00 178.44 176.36 2rlo n ASN 19 N -4.41 6.44 -4.58 -0.43 2.85 -1.26 -5.05 115.26 108.82 2rlo n ASN 19 Ca 0.09 -3.77 -0.31 0.00 -0.11 0.00 0.00 54.58 50.48 2rlo n ASN 19 Cb 0.03 -0.87 0.17 0.00 1.24 0.00 0.00 39.78 40.34 2rlo n ASN 19 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2rlo n LYS 20 N -0.41 -0.66 -3.15 1.20 5.02 -1.06 -4.65 118.16 114.45 2rlo n LYS 20 Ca 0.46 -0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.67 2rlo n LYS 20 Cb 0.37 -2.21 -0.00 0.00 -0.02 0.00 0.00 35.03 33.17 2rlo n LYS 20 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2rlo s GLU 21 N -4.34 0.26 0.08 1.97 2.12 -1.26 -4.98 118.70 112.56 2rlo s GLU 21 Ca 0.64 0.27 -0.03 0.00 0.36 0.00 0.00 54.97 56.21 2rlo s GLU 21 Cb -0.22 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.24 2rlo s GLU 21 CO 0.61 -0.49 0.29 -1.58 -0.54 0.00 0.00 175.26 173.56 2rlo s TRP 22 N 2.92 3.51 0.24 5.30 0.52 -1.26 0.11 118.94 130.29 2rlo s TRP 22 Ca 0.22 0.45 0.10 0.00 0.02 0.00 0.00 56.10 56.90 2rlo s TRP 22 Cb -0.04 -1.91 -0.05 0.00 -1.15 0.00 0.00 33.47 30.31 2rlo s TRP 22 CO -0.23 0.53 -0.19 0.15 0.02 0.00 0.00 176.95 177.23 2rlo s LYS 23 N -2.39 1.53 0.00 4.98 3.01 -0.61 -4.80 119.74 121.46 2rlo s LYS 23 Ca 0.36 -1.66 -0.30 0.00 -1.01 0.00 0.00 55.97 53.35 2rlo s LYS 23 Cb -0.13 -1.56 -0.06 0.00 -1.01 0.00 0.00 37.83 35.07 2rlo s LYS 23 CO 0.24 0.29 1.56 0.15 0.51 0.00 0.00 175.35 178.10 2rlo s LYS 24 N -3.40 4.22 0.36 1.68 -0.14 -1.26 -1.33 119.74 119.87 2rlo s LYS 24 Ca 0.26 2.16 0.01 0.00 -1.36 0.00 0.00 55.97 57.04 2rlo s LYS 24 Cb -0.04 -3.71 -0.01 0.00 -1.68 0.00 0.00 37.83 32.39 2rlo s LYS 24 CO 0.11 -0.72 0.05 1.63 -0.76 0.00 0.00 175.35 175.67 2rlo n LYS 25 N 6.02 0.86 -3.69 1.68 5.02 0.31 -4.53 118.16 123.84 2rlo n LYS 25 Ca 0.15 -2.80 -0.24 0.00 -2.02 0.00 0.00 58.31 53.40 2rlo n LYS 25 Cb 0.42 1.10 -0.17 0.00 -0.02 0.00 0.00 35.03 36.36 2rlo n LYS 25 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2rlo s TYR 26 N -2.58 0.44 0.08 2.13 6.14 -0.65 -1.66 117.35 121.25 2rlo s TYR 26 Ca 0.08 -0.25 0.10 0.00 0.64 0.00 0.00 57.07 57.63 2rlo s TYR 26 Cb 0.00 -0.73 -0.03 0.00 0.42 0.00 0.00 41.96 41.62 2rlo s TYR 26 CO 0.05 -0.41 -0.26 0.08 0.64 0.00 0.00 175.55 175.65 2rlo s VAL 27 N 2.05 2.24 -0.17 3.14 1.01 0.29 0.23 120.40 129.19 2rlo s VAL 27 Ca 0.03 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 2rlo s VAL 27 Cb -0.14 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.37 2rlo s VAL 27 CO -0.06 0.26 0.07 -0.89 0.00 0.00 0.00 175.10 174.48 2rlo s THR 28 N -0.91 0.05 -0.33 3.92 2.01 0.92 -0.86 115.64 120.45 2rlo s THR 28 Ca 0.13 -0.21 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 2rlo s THR 28 Cb -0.10 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.76 2rlo s THR 28 CO 0.04 -0.23 0.65 -0.22 -0.69 0.00 0.00 174.62 174.17 2rlo s LEU 29 N 2.08 4.19 0.24 4.42 1.98 0.25 -2.26 118.68 129.58 2rlo s LEU 29 Ca 0.02 0.31 0.07 0.00 -2.89 0.00 0.00 54.13 51.64 2rlo s LEU 29 Cb -0.16 -2.82 -0.04 0.00 0.66 0.00 0.00 46.19 43.83 2rlo s LEU 29 CO -0.08 -0.54 0.20 -0.55 -1.89 0.00 0.00 176.35 173.48 2rlo s SER 30 N 1.71 5.58 0.00 3.68 0.15 -1.06 0.28 113.70 124.03 2rlo s SER 30 Ca 0.25 -0.22 0.19 0.00 0.70 0.00 0.00 55.95 56.87 2rlo s SER 30 Cb -0.15 -1.44 1.12 0.00 -1.71 0.00 0.00 66.02 63.84 2rlo s SER 30 CO 0.13 -0.03 1.56 -0.24 1.20 0.00 0.00 173.24 175.86 2rlo n SER 31 N -1.12 0.00 -1.47 5.45 2.88 0.19 -3.30 113.62 116.25 2rlo n SER 31 Ca -0.08 -0.88 -0.06 0.00 -1.33 0.00 0.00 58.87 56.53 2rlo n SER 31 Cb 0.58 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.17 2rlo n SER 31 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2rlo n ASN 32 N -0.90 3.42 -3.89 -3.46 0.23 -1.26 -4.81 115.26 104.58 2rlo n ASN 32 Ca 0.14 -2.69 -0.29 0.00 -0.53 0.00 0.00 54.58 51.21 2rlo n ASN 32 Cb 0.06 -0.64 0.03 0.00 -2.08 0.00 0.00 39.78 37.15 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2rlo n GLY 33 N -0.08 -0.49 2.78 4.83 0.00 -1.21 -4.96 105.19 106.06 2rlo n GLY 33 Ca 0.24 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.32 0.31 -0.29 1.61 5.36 -1.25 -1.85 117.98 118.54 2rlo s PHE 34 Ca 0.63 0.03 -0.09 0.00 -0.96 0.00 0.00 56.93 56.54 2rlo s PHE 34 Cb -0.31 -0.48 -0.02 0.00 -0.34 0.00 0.00 43.02 41.87 2rlo s PHE 34 CO 0.82 -0.17 0.14 -1.17 -1.46 0.00 0.00 175.22 173.38 2rlo s LEU 35 N 1.42 3.96 0.07 6.12 2.96 -0.91 -2.58 118.68 129.71 2rlo s LEU 35 Ca -0.04 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 2rlo s LEU 35 Cb -0.13 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2rlo s LEU 35 CO -0.03 -0.15 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.96 2rlo s LEU 36 N 1.63 2.87 -0.22 -0.68 1.02 -0.96 -0.00 118.68 122.33 2rlo s LEU 36 Ca 0.05 -0.39 -0.10 0.00 0.02 0.00 0.00 54.13 53.71 2rlo s LEU 36 Cb -0.17 -1.68 0.09 0.00 0.02 0.00 0.00 46.19 44.45 2rlo s LEU 36 CO 0.06 0.22 0.51 -0.72 0.02 0.00 0.00 176.35 176.44 2rlo s TYR 37 N -1.07 -0.89 0.30 0.29 1.13 0.58 -0.05 117.35 117.63 2rlo s TYR 37 Ca 0.18 1.72 0.10 0.00 -1.41 0.00 0.00 57.07 57.66 2rlo s TYR 37 Cb -0.11 0.45 -0.05 0.00 -1.10 0.00 0.00 41.96 41.15 2rlo s TYR 37 CO 0.09 -0.48 -0.03 -1.01 -2.51 0.00 0.00 175.55 171.61 2rlo s HIS 38 N 2.10 2.57 0.22 -3.49 0.09 0.13 -1.56 115.29 115.35 2rlo s HIS 38 Ca -0.07 -0.33 -0.10 0.00 -0.00 0.00 0.00 55.06 54.57 2rlo s HIS 38 Cb -0.09 -1.29 0.33 0.00 -0.00 0.00 0.00 32.58 31.53 2rlo s HIS 38 CO -0.15 0.57 1.65 -1.35 -0.00 0.00 0.00 174.74 175.46 2rlo h PRO 39 N 1.91 0.09 0.00 8.40 0.11 -1.92 -1.73 132.00 138.86 2rlo h PRO 39 Ca -0.43 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 2rlo h PRO 39 Cb 1.25 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2rlo h PRO 39 CO 0.63 0.06 0.01 0.43 -0.21 0.00 0.00 178.00 178.91 2rlo n SER 40 N -5.32 -0.21 -0.19 -2.05 7.64 -1.26 -3.95 113.62 108.29 2rlo n SER 40 Ca 0.10 -1.20 -0.08 0.00 1.01 0.00 0.00 58.87 58.70 2rlo n SER 40 Cb 0.39 0.36 0.01 0.00 -1.01 0.00 0.00 64.21 63.96 2rlo n SER 40 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2rlo h ILE 41 N 1.11 1.23 -0.56 0.44 5.03 -1.88 -2.08 117.51 120.80 2rlo h ILE 41 Ca -0.03 -0.78 0.16 0.00 -0.12 0.00 0.00 64.86 64.08 2rlo h ILE 41 Cb 0.14 0.75 -0.02 0.00 -3.03 0.00 0.00 36.82 34.65 2rlo h ILE 41 CO 0.05 0.29 0.53 0.78 -0.68 0.00 0.00 178.15 179.12 2rlo h ASN 42 N 0.73 0.00 0.05 1.72 4.21 -1.98 0.37 115.58 120.68 2rlo h ASN 42 Ca 0.17 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.42 2rlo h ASN 42 Cb 0.28 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.50 2rlo h ASN 42 CO -0.01 0.00 -1.05 0.44 -1.29 0.00 0.00 177.43 175.53 2rlo h ASP 43 N 0.00 0.83 0.06 5.81 5.19 -1.77 -1.88 116.42 124.64 2rlo h ASP 43 Ca 0.27 -0.78 -0.00 0.00 -0.62 0.00 0.00 57.03 55.89 2rlo h ASP 43 Cb 1.32 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.58 2rlo h ASP 43 CO -0.00 1.52 -0.03 0.22 -3.12 0.00 0.00 179.24 177.83 2rlo h TYR 44 N 0.24 -0.07 0.52 4.55 3.20 -0.37 1.01 116.97 126.05 2rlo h TYR 44 Ca -0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 2rlo h TYR 44 Cb 1.72 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.01 2rlo h TYR 44 CO 0.12 0.44 -0.41 0.82 -1.64 0.00 0.00 178.16 177.49 2rlo h ILE 45 N -0.63 0.00 0.00 1.81 2.04 -0.59 -2.97 117.51 117.18 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 0.54 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2rlo h ILE 45 CO 0.01 0.00 -0.33 0.45 0.00 0.00 0.00 178.15 178.28 2rlo h HIS 46 N -0.90 0.00 -3.62 1.37 3.86 -1.46 -3.49 115.15 110.91 2rlo h HIS 46 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2rlo h HIS 46 Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 2rlo h HIS 46 CO -0.15 0.33 -0.02 0.43 0.86 0.00 0.00 177.93 179.37 2rlo n SER 47 N -3.41 -3.54 -1.95 2.45 7.64 0.32 -5.03 113.62 110.11 2rlo n SER 47 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2rlo n SER 47 Cb 0.52 -2.14 0.00 0.00 -1.01 0.00 0.00 64.21 61.58 2rlo n SER 47 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2rlo n THR 48 N -1.07 0.00 -0.38 0.44 -2.24 0.50 -4.91 114.28 106.62 2rlo n THR 48 Ca 0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.74 2rlo n THR 48 Cb 0.43 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.07 2rlo n THR 48 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2rlo n HIS 49 N 0.00 -0.14 -2.67 4.78 -0.00 -1.26 -4.91 115.22 111.02 2rlo n HIS 49 Ca 0.00 1.19 -0.05 0.00 0.46 0.00 0.00 57.72 59.32 2rlo n HIS 49 Cb 0.00 -0.75 -0.04 0.00 -0.12 0.00 0.00 29.99 29.08 2rlo n HIS 49 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2rlo n GLY 50 N -1.37 -4.65 3.75 1.57 0.00 -1.26 -4.92 105.19 98.30 2rlo n GLY 50 Ca 0.07 1.51 -0.41 0.00 0.00 0.00 0.00 46.02 47.19 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 -0.73 4.63 -0.04 1.61 -0.14 -0.60 -4.86 119.74 119.62 2rlo s LYS 51 Ca -0.23 1.77 0.02 0.00 -1.36 0.00 0.00 55.97 56.17 2rlo s LYS 51 Cb 0.02 -3.22 0.01 0.00 -1.68 0.00 0.00 37.83 32.96 2rlo s LYS 51 CO 0.72 0.17 -0.08 -1.21 -0.76 0.00 0.00 175.35 174.20 2rlo s GLU 52 N -1.08 0.97 -0.18 1.68 2.02 -1.26 -0.31 118.70 120.54 2rlo s GLU 52 Ca 0.46 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 55.22 2rlo s GLU 52 Cb -0.31 -0.91 0.01 0.00 0.10 0.00 0.00 34.13 33.03 2rlo s GLU 52 CO 0.39 0.03 -0.19 1.41 0.02 0.00 0.00 175.26 176.92 2rlo s MET 53 N 0.49 3.04 0.20 1.61 -2.45 0.99 -4.97 119.30 118.22 2rlo s MET 53 Ca -0.08 -0.81 -0.33 0.00 -1.25 0.00 0.00 55.69 53.23 2rlo s MET 53 Cb -0.11 -2.59 -0.13 0.00 1.25 0.00 0.00 34.83 33.24 2rlo s MET 53 CO 0.01 -0.17 1.60 -0.25 1.05 0.00 0.00 175.02 177.26 2rlo n ASP 54 N 4.52 3.39 -1.70 1.11 9.92 -1.26 -2.15 116.55 130.38 2rlo n ASP 54 Ca -0.20 1.09 -0.01 0.00 -0.53 0.00 0.00 54.79 55.13 2rlo n ASP 54 Cb 0.50 -1.49 0.27 0.00 -0.64 0.00 0.00 41.12 39.77 2rlo n ASP 54 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2rlo n LEU 55 N 3.28 5.06 -0.06 0.64 4.77 -0.77 -4.36 117.00 125.56 2rlo n LEU 55 Ca 0.15 -2.61 -0.05 0.00 -0.03 0.00 0.00 56.01 53.47 2rlo n LEU 55 Cb 0.32 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 2rlo n LEU 55 CO 0.63 0.65 -0.05 0.25 -1.33 0.00 0.00 177.39 177.55 2rlo h LEU 56 N 2.54 0.00 -5.23 2.23 6.46 -1.88 -3.23 115.31 116.20 2rlo h LEU 56 Ca 0.14 -0.23 -0.59 0.00 -0.12 0.00 0.00 57.88 57.08 2rlo h LEU 56 Cb 1.89 0.00 -0.42 0.00 -0.73 0.00 0.00 40.66 41.40 2rlo h LEU 56 CO 0.52 0.73 -0.63 -1.14 -0.62 0.00 0.00 178.44 177.30 2rlo n ARG 57 N -4.68 3.29 -4.28 1.25 3.00 -1.26 -4.81 116.66 109.16 2rlo n ARG 57 Ca -0.06 -4.84 -0.23 0.00 -0.00 0.00 0.00 57.85 52.72 2rlo n ARG 57 Cb 0.20 -2.24 -0.07 0.00 0.00 0.00 0.00 32.46 30.35 2rlo n ARG 57 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2rlo s THR 58 N -4.57 3.14 0.10 5.15 -4.23 -1.26 -3.38 115.64 110.58 2rlo s THR 58 Ca 0.49 -1.92 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 2rlo s THR 58 Cb 0.29 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 2rlo s THR 58 CO -0.14 -0.30 -0.15 0.42 -0.54 0.00 0.00 174.62 173.90 2rlo s THR 59 N -2.40 1.30 -0.06 3.99 -4.23 0.68 -4.95 115.64 109.96 2rlo s THR 59 Ca 0.33 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 2rlo s THR 59 Cb -0.04 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.46 2rlo s THR 59 CO 0.20 -0.30 -0.08 0.54 -0.54 0.00 0.00 174.62 174.44 2rlo s VAL 60 N -1.69 0.84 0.11 2.29 0.11 -1.26 -0.06 120.40 120.74 2rlo s VAL 60 Ca 0.04 -0.29 -0.19 0.00 -2.93 0.00 0.00 61.98 58.61 2rlo s VAL 60 Cb -0.07 -0.81 0.05 0.00 -1.53 0.00 0.00 36.38 34.01 2rlo s VAL 60 CO 0.03 0.30 0.48 -1.59 -3.33 0.00 0.00 175.10 170.98 2rlo s LYS 61 N 0.89 1.10 0.16 1.54 -2.85 -0.89 -4.94 119.74 114.76 2rlo s LYS 61 Ca -0.11 -0.52 0.02 0.00 -1.00 0.00 0.00 55.97 54.37 2rlo s LYS 61 Cb -0.15 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 2rlo s LYS 61 CO 0.01 -0.44 0.30 0.14 0.10 0.00 0.00 175.35 175.46 2rlo s VAL 62 N -3.39 5.31 0.00 1.79 -7.23 -1.26 0.11 120.40 115.73 2rlo s VAL 62 Ca 0.00 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 2rlo s VAL 62 Cb 0.00 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.19 2rlo s VAL 62 CO -0.09 -0.12 0.00 -0.81 -0.31 0.00 0.00 175.10 173.77 2rlo n PRO 63 N -0.63 -0.02 -0.54 4.82 -0.04 -1.26 -4.91 135.00 132.42 2rlo n PRO 63 Ca -0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.44 2rlo n PRO 63 Cb 0.54 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.26 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 2.12 2.28 3.22 0.55 0.00 -1.26 -4.97 105.19 107.13 2rlo n GLY 64 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 2rlo n GLY 64 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2rlo n LYS 65 N 0.50 -1.91 -0.59 1.61 0.00 -1.26 -4.94 118.16 111.58 2rlo n LYS 65 Ca 0.18 -0.55 -0.29 0.00 -0.00 0.00 0.00 58.31 57.65 2rlo n LYS 65 Cb 0.80 -1.66 0.23 0.00 -0.00 0.00 0.00 35.03 34.40 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 -3.52 -0.40 -0.02 -1.58 3.00 -1.26 -4.87 118.95 110.30 2rlo s ARG 66 Ca 0.53 1.04 -0.30 0.00 0.00 0.00 0.00 55.73 57.00 2rlo s ARG 66 Cb -0.10 -1.60 -0.08 0.00 0.00 0.00 0.00 34.95 33.17 2rlo s ARG 66 CO 0.60 -3.43 1.93 -1.25 0.00 0.00 0.00 175.30 173.14 2rlo s PRO 67 N -4.51 4.00 -0.33 3.54 0.04 -1.26 -4.89 135.00 131.59 2rlo s PRO 67 Ca 0.68 2.42 -0.03 0.00 0.04 0.00 0.00 61.00 64.11 2rlo s PRO 67 Cb -0.24 -4.15 0.10 0.00 0.04 0.00 0.00 34.50 30.24 2rlo s PRO 67 CO 0.63 -1.10 2.48 -0.35 0.04 0.00 0.00 177.00 178.69 2rlo n PRO 68 N 7.64 2.03 -2.82 0.56 -0.04 -1.26 -4.84 135.00 136.26 2rlo n PRO 68 Ca 0.21 -1.76 -0.43 0.00 -0.04 0.00 0.00 63.50 61.47 2rlo n PRO 68 Cb 0.42 -1.84 -0.01 0.00 -0.04 0.00 0.00 33.50 32.03 2rlo n PRO 68 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2rlo s ARG 69 N -1.43 3.89 0.43 0.54 1.81 -1.26 -4.80 118.95 118.12 2rlo s ARG 69 Ca 0.44 -2.09 0.11 0.00 -1.72 0.00 0.00 55.73 52.48 2rlo s ARG 69 Cb 0.30 -5.17 0.93 0.00 -0.45 0.00 0.00 34.95 30.56 2rlo s ARG 69 CO -0.09 -1.93 2.00 0.00 -0.68 0.00 0.00 175.30 174.60 2rlo h ALA 70 N 7.96 1.67 -0.18 2.13 0.00 -1.88 -1.99 119.26 126.98 2rlo h ALA 70 Ca 0.29 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2rlo h ALA 70 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2rlo h ALA 70 CO 1.28 0.25 -0.13 0.82 0.00 0.00 0.00 179.25 181.46 2rlo h ILE 71 N 0.20 1.19 -1.19 0.00 1.08 -2.01 -3.12 117.51 113.67 2rlo h ILE 71 Ca 0.05 -0.84 -0.65 0.00 -0.39 0.00 0.00 64.86 63.03 2rlo h ILE 71 Cb 0.21 1.21 -0.16 0.00 -3.07 0.00 0.00 36.82 35.01 2rlo h ILE 71 CO 0.01 0.26 1.49 -0.24 -0.69 0.00 0.00 178.15 178.98 2rlo n SER 72 N -4.26 7.36 -1.27 1.72 2.88 -0.75 -4.58 113.62 114.73 2rlo n SER 72 Ca -0.00 -3.21 0.05 0.00 -1.33 0.00 0.00 58.87 54.38 2rlo n SER 72 Cb 0.28 -1.29 0.25 0.00 -0.75 0.00 0.00 64.21 62.70 2rlo n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rlo n ALA 73 N 1.23 3.16 -1.57 -1.46 0.00 -1.18 -4.86 120.51 115.83 2rlo n ALA 73 Ca 0.56 -1.13 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 2rlo n ALA 73 Cb 0.37 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 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 1.08 -3.94 0.00 7.35 -1.26 -4.86 117.46 116.34 2rlo n PHE 74 Ca 0.17 -0.07 -0.10 0.00 -0.76 0.00 0.00 57.45 56.70 2rlo n PHE 74 Cb 0.75 -2.62 -0.11 0.00 0.35 0.00 0.00 39.48 37.85 2rlo n PHE 74 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2rlo s GLY 75 N 10.15 0.18 0.12 7.13 0.00 -1.26 -5.14 107.32 118.50 2rlo s GLY 75 Ca 0.89 -0.45 -0.31 0.00 0.00 0.00 0.00 44.72 44.86 2rlo s GLY 75 CO 0.12 -0.54 1.32 2.56 0.00 0.00 0.00 173.10 176.55 2rlo s PRO 76 N -1.52 4.37 -0.34 2.90 0.04 -1.26 -4.93 135.00 134.26 2rlo s PRO 76 Ca -0.15 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2rlo s PRO 76 Cb -0.09 -3.26 0.29 0.00 0.04 0.00 0.00 34.50 31.48 2rlo s PRO 76 CO -0.00 -0.34 1.26 -1.13 0.04 0.00 0.00 177.00 176.83 2rlo n SER 77 N 3.57 -1.39 -0.01 6.66 3.41 -1.26 -5.02 113.62 119.59 2rlo n SER 77 Ca 0.09 -1.93 -0.11 0.00 -0.26 0.00 0.00 58.87 56.66 2rlo n SER 77 Cb 0.43 0.92 -0.14 0.00 -0.26 0.00 0.00 64.21 65.16 2rlo n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rlo h ALA 78 N 2.93 0.66 -1.19 7.33 0.00 -2.05 -3.44 119.26 123.49 2rlo h ALA 78 Ca -0.25 -1.39 -0.17 0.00 0.00 0.00 0.00 54.91 53.10 2rlo h ALA 78 Cb 1.20 0.47 -0.20 0.00 0.00 0.00 0.00 17.79 19.26 2rlo h ALA 78 CO -0.11 1.49 -0.53 -1.12 0.00 0.00 0.00 179.25 178.98 2rlo s SER 79 N -6.35 -1.02 0.00 0.00 0.01 -1.26 -5.14 113.70 99.93 2rlo s SER 79 Ca -0.08 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.71 2rlo s SER 79 Cb 0.08 1.63 0.00 0.00 0.21 0.00 0.00 66.02 67.94 2rlo s SER 79 CO 0.82 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.96 2rlo n GLY 80 N 3.60 3.16 3.22 3.44 0.00 -1.26 -5.15 105.19 112.20 2rlo n GLY 80 Ca 0.16 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 2rlo n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rlo s SER 81 N 0.00 1.14 -0.01 1.61 1.04 -1.26 -4.83 113.70 111.39 2rlo s SER 81 Ca 0.00 -1.14 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 2rlo s SER 81 Cb 0.00 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.26 2rlo s SER 81 CO 0.00 -0.55 0.03 0.00 0.98 0.00 0.00 173.24 173.69 2rlo s ALA 82 N -3.67 -0.01 -1.23 5.32 0.00 -1.26 -5.06 121.76 115.84 2rlo s ALA 82 Ca 0.21 0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 2rlo s ALA 82 Cb 0.06 -0.12 0.14 0.00 0.00 0.00 0.00 23.12 23.19 2rlo s ALA 82 CO 0.02 -0.05 2.35 0.41 0.00 0.00 0.00 175.76 178.48 2rlo n GLY 83 N 3.50 5.28 0.00 0.00 0.00 -1.26 -4.70 105.19 108.00 2rlo n GLY 83 Ca -0.18 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2rlo n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2rlo n GLN 84 N 1.45 0.00 -4.17 1.61 6.02 -1.26 -5.02 117.38 116.01 2rlo n GLN 84 Ca 0.60 0.09 -0.16 0.00 -0.01 0.00 0.00 57.00 57.52 2rlo n GLN 84 Cb 0.27 -0.54 -0.11 0.00 1.02 0.00 0.00 30.24 30.87 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rlo s ALA 85 N -3.89 1.12 -1.05 -1.58 0.00 -1.26 -5.09 121.76 110.01 2rlo s ALA 85 Ca 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 2rlo s ALA 85 Cb 0.00 -0.01 0.20 0.00 0.00 0.00 0.00 23.12 23.31 2rlo s ALA 85 CO 0.00 0.03 1.15 -1.21 0.00 0.00 0.00 175.76 175.72 2rlo s GLU 86 N -2.42 3.93 0.61 0.00 2.02 -1.26 -4.84 118.70 116.73 2rlo s GLU 86 Ca 0.03 -2.57 0.32 0.00 0.02 0.00 0.00 54.97 52.76 2rlo s GLU 86 Cb -0.05 -4.76 1.85 0.00 0.10 0.00 0.00 34.13 31.27 2rlo s GLU 86 CO 0.01 -1.52 2.20 0.93 0.02 0.00 0.00 175.26 176.89 2rlo h GLU 87 N 7.48 0.00 -2.63 1.61 5.08 -1.98 -3.11 114.58 121.02 2rlo h GLU 87 Ca 0.20 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.00 2rlo h GLU 87 Cb 0.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 2rlo h GLU 87 CO 1.05 0.00 2.40 0.39 -1.00 0.00 0.00 179.01 181.85 2rlo n GLU 88 N -3.64 3.38 -3.87 2.33 4.71 -1.26 -4.68 120.64 117.60 2rlo n GLU 88 Ca -0.01 -2.15 -0.35 0.00 -0.01 0.00 0.00 57.16 54.64 2rlo n GLU 88 Cb 0.19 -2.54 -0.13 0.00 -1.01 0.00 0.00 31.44 27.95 2rlo n GLU 88 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2rlo s ASN 89 N 1.70 5.02 -0.19 1.62 2.20 -1.18 -5.06 114.94 119.04 2rlo s ASN 89 Ca 0.66 -1.80 -0.00 0.00 -0.94 0.00 0.00 52.86 50.78 2rlo s ASN 89 Cb 0.23 -1.74 0.05 0.00 -2.00 0.00 0.00 41.25 37.78 2rlo s ASN 89 CO -0.06 -0.41 -0.04 0.72 -2.94 0.00 0.00 177.10 174.36 2rlo s PHE 90 N 1.13 1.88 -0.03 1.54 -0.71 -1.26 -4.51 117.98 116.01 2rlo s PHE 90 Ca 0.04 -1.30 -0.01 0.00 -1.04 0.00 0.00 56.93 54.62 2rlo s PHE 90 Cb -0.21 -1.38 0.03 0.00 -1.21 0.00 0.00 43.02 40.24 2rlo s PHE 90 CO -0.04 -0.67 0.07 -1.21 -1.34 0.00 0.00 175.22 172.03 2rlo s GLU 91 N 1.57 0.03 0.20 1.99 8.01 -1.26 -3.17 118.70 126.07 2rlo s GLU 91 Ca -0.02 0.22 0.10 0.00 0.01 0.00 0.00 54.97 55.28 2rlo s GLU 91 Cb -0.17 -0.15 -0.04 0.00 -4.31 0.00 0.00 34.13 29.46 2rlo s GLU 91 CO -0.07 -0.12 -0.20 -0.59 0.01 0.00 0.00 175.26 174.28 2rlo s PHE 92 N 0.82 2.07 0.12 1.61 -0.12 -0.60 -4.02 117.98 117.85 2rlo s PHE 92 Ca -0.07 -0.41 0.10 0.00 -0.05 0.00 0.00 56.93 56.51 2rlo s PHE 92 Cb -0.09 -1.00 -0.04 0.00 -0.63 0.00 0.00 43.02 41.26 2rlo s PHE 92 CO -0.03 0.46 -0.25 -0.51 -0.05 0.00 0.00 175.22 174.84 2rlo s LEU 93 N -2.86 2.41 -0.26 -1.99 1.02 0.31 -1.32 118.68 115.99 2rlo s LEU 93 Ca 0.20 -0.69 0.02 0.00 0.02 0.00 0.00 54.13 53.69 2rlo s LEU 93 Cb -0.06 -1.31 0.07 0.00 0.02 0.00 0.00 46.19 44.91 2rlo s LEU 93 CO 0.09 0.19 -0.07 -0.63 0.02 0.00 0.00 176.35 175.95 2rlo s ILE 94 N -1.06 1.91 -0.17 -0.59 -1.09 0.73 -2.09 121.20 118.83 2rlo s ILE 94 Ca 0.15 -1.55 -0.07 0.00 -2.23 0.00 0.00 60.65 56.95 2rlo s ILE 94 Cb -0.10 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 2rlo s ILE 94 CO 0.07 -0.13 0.08 -0.69 -1.23 0.00 0.00 174.94 173.04 2rlo s VAL 95 N 1.20 5.01 0.29 2.92 1.01 0.91 0.55 120.40 132.30 2rlo s VAL 95 Ca -0.05 0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2rlo s VAL 95 Cb -0.19 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.01 2rlo s VAL 95 CO -0.06 0.50 0.40 -0.24 0.00 0.00 0.00 175.10 175.70 2rlo n SER 96 N 3.12 0.65 0.02 3.32 2.88 0.19 -0.23 113.62 123.56 2rlo n SER 96 Ca -0.17 -1.52 0.13 0.00 -1.33 0.00 0.00 58.87 55.97 2rlo n SER 96 Cb 0.53 -0.25 0.37 0.00 -0.75 0.00 0.00 64.21 64.11 2rlo n SER 96 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2rlo n SER 97 N -2.90 0.39 -1.55 -3.46 3.41 -1.22 -3.59 113.62 104.70 2rlo n SER 97 Ca 0.07 0.10 -0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2rlo n SER 97 Cb 0.25 -0.08 0.29 0.00 -0.26 0.00 0.00 64.21 64.41 2rlo n SER 97 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2rlo n THR 98 N -1.64 2.68 0.00 6.66 5.66 -1.26 -4.92 114.28 121.46 2rlo n THR 98 Ca 0.06 -1.85 0.00 0.00 -3.05 0.00 0.00 64.05 59.20 2rlo n THR 98 Cb 0.36 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 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 -0.34 3.04 3.63 1.09 0.00 -1.24 -4.99 105.19 106.40 2rlo n GLY 99 Ca 0.33 0.00 -0.50 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 -1.77 1.59 -3.86 1.61 7.27 -1.26 -4.66 117.38 116.30 2rlo n GLN 100 Ca 0.00 0.57 -0.28 0.00 0.07 0.00 0.00 57.00 57.37 2rlo n GLN 100 Cb 0.00 -2.28 -0.17 0.00 2.41 0.00 0.00 30.24 30.20 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 1.07 0.97 -0.50 1.69 2.01 -1.26 0.55 115.64 120.18 2rlo s THR 101 Ca 0.84 -0.56 -0.18 0.00 0.31 0.00 0.00 61.69 62.09 2rlo s THR 101 Cb -0.84 -1.19 0.06 0.00 0.01 0.00 0.00 72.50 70.54 2rlo s THR 101 CO 0.45 0.09 0.58 0.26 -0.69 0.00 0.00 174.62 175.31 2rlo s TRP 102 N 1.69 3.09 -0.33 4.92 0.52 0.19 -4.86 118.94 124.16 2rlo s TRP 102 Ca 0.01 -0.60 -0.15 0.00 0.02 0.00 0.00 56.10 55.37 2rlo s TRP 102 Cb -0.15 -3.45 -0.02 0.00 -1.15 0.00 0.00 33.47 28.70 2rlo s TRP 102 CO -0.07 -0.98 0.37 -1.58 0.02 0.00 0.00 176.95 174.70 2rlo s HIS 103 N 2.43 3.21 0.26 -1.98 2.46 -1.26 -0.20 115.29 120.22 2rlo s HIS 103 Ca 0.13 0.06 0.10 0.00 0.47 0.00 0.00 55.06 55.82 2rlo s HIS 103 Cb -0.20 -2.66 -0.05 0.00 -0.13 0.00 0.00 32.58 29.53 2rlo s HIS 103 CO 0.11 -0.40 -0.16 -0.06 -2.47 0.00 0.00 174.74 171.76 2rlo s PHE 104 N 2.04 2.09 -0.28 3.88 0.08 -0.43 -3.76 117.98 121.60 2rlo s PHE 104 Ca 0.13 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.74 2rlo s PHE 104 Cb -0.16 -0.98 0.08 0.00 -0.57 0.00 0.00 43.02 41.38 2rlo s PHE 104 CO 0.11 0.55 -0.02 -2.00 -0.10 0.00 0.00 175.22 173.76 2rlo s GLU 105 N -3.58 1.64 -0.04 0.44 -6.30 0.89 -1.56 118.70 110.17 2rlo s GLU 105 Ca 0.28 -1.34 -0.35 0.00 -2.50 0.00 0.00 54.97 51.06 2rlo s GLU 105 Cb -0.02 -2.77 -0.13 0.00 0.00 0.00 0.00 34.13 31.20 2rlo s GLU 105 CO 0.12 -0.73 1.74 0.00 0.02 0.00 0.00 175.26 176.41 2rlo n ALA 106 N 4.51 0.66 0.09 6.30 0.00 -1.19 -2.21 120.51 128.67 2rlo n ALA 106 Ca -0.07 0.36 0.02 0.00 0.00 0.00 0.00 53.44 53.75 2rlo n ALA 106 Cb 0.43 -2.38 0.36 0.00 0.00 0.00 0.00 19.45 17.86 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 7.66 1.47 -4.12 0.00 0.00 -1.91 -3.42 119.26 118.94 2rlo h ALA 107 Ca -0.47 -0.21 -0.69 0.00 0.00 0.00 0.00 54.91 53.54 2rlo h ALA 107 Cb 1.28 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 18.69 2rlo h ALA 107 CO 0.92 0.38 -0.84 0.45 0.00 0.00 0.00 179.25 180.15 2rlo s SER 108 N -6.84 3.43 0.19 0.00 0.15 -1.26 -5.03 113.70 104.33 2rlo s SER 108 Ca -0.06 -0.39 -0.13 0.00 0.70 0.00 0.00 55.95 56.07 2rlo s SER 108 Cb 0.15 -0.77 0.21 0.00 -1.71 0.00 0.00 66.02 63.90 2rlo s SER 108 CO 0.74 0.29 1.70 -0.26 1.20 0.00 0.00 173.24 176.91 2rlo h PHE 109 N 5.75 0.09 -0.48 3.44 0.04 -1.98 -0.65 116.94 123.16 2rlo h PHE 109 Ca -0.39 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.35 2rlo h PHE 109 Cb 1.16 0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 2rlo h PHE 109 CO 0.44 -0.05 0.00 0.93 -0.60 0.00 0.00 178.31 179.04 2rlo h GLU 110 N 0.19 0.79 -0.67 1.51 3.07 -1.97 -2.68 114.58 114.82 2rlo h GLU 110 Ca 0.26 -0.21 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2rlo h GLU 110 Cb 0.37 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 2rlo h GLU 110 CO -0.37 0.79 0.44 1.49 -1.40 0.00 0.00 179.01 179.96 2rlo h GLU 111 N 0.74 0.89 -0.30 2.33 4.57 -1.56 -1.80 114.58 119.45 2rlo h GLU 111 Ca 0.14 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 2rlo h GLU 111 Cb 0.44 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 2rlo h GLU 111 CO 0.02 0.59 0.08 -0.09 -1.18 0.00 0.00 179.01 178.43 2rlo h ARG 112 N 0.91 0.19 0.00 1.92 1.12 -0.93 0.22 114.38 117.82 2rlo h ARG 112 Ca 0.25 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 59.02 2rlo h ARG 112 Cb -0.10 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.81 2rlo h ARG 112 CO -0.05 0.13 -0.39 -0.44 -3.11 0.00 0.00 179.97 176.10 2rlo h ASP 113 N 0.20 0.00 -0.04 -3.80 5.19 -1.50 -0.86 116.42 115.60 2rlo h ASP 113 Ca 0.14 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2rlo h ASP 113 Cb 0.13 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.64 2rlo h ASP 113 CO -0.17 0.39 -0.07 0.00 -3.12 0.00 0.00 179.24 176.28 2rlo h ALA 114 N 1.61 0.06 -0.10 3.45 0.00 -0.44 -1.57 119.26 122.27 2rlo h ALA 114 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2rlo h ALA 114 Cb 0.82 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2rlo h ALA 114 CO 0.05 -0.11 0.05 -1.49 0.00 0.00 0.00 179.25 177.75 2rlo h TRP 115 N -0.39 0.15 -0.70 0.00 4.06 -0.52 0.94 115.95 119.49 2rlo h TRP 115 Ca 0.00 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.02 2rlo h TRP 115 Cb 0.62 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.69 2rlo h TRP 115 CO 0.11 0.21 0.46 -0.24 -3.56 0.00 0.00 178.44 175.42 2rlo h VAL 116 N 0.05 0.99 0.05 1.49 3.04 -1.21 0.23 116.25 120.89 2rlo h VAL 116 Ca 0.04 -0.23 -0.23 0.00 -1.01 0.00 0.00 66.70 65.26 2rlo h VAL 116 Cb 0.11 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 29.63 2rlo h VAL 116 CO -0.00 0.12 -1.07 -0.61 -1.01 0.00 0.00 177.57 175.00 2rlo h GLN 117 N 0.68 0.11 0.05 4.17 5.75 -0.75 -2.36 115.11 122.76 2rlo h GLN 117 Ca 0.31 -0.18 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2rlo h GLN 117 Cb 0.33 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.95 2rlo h GLN 117 CO -0.10 1.07 -0.02 0.00 -2.65 0.00 0.00 178.83 177.12 2rlo h ALA 118 N 0.86 -0.07 -0.14 3.38 0.00 0.27 0.80 119.26 124.36 2rlo h ALA 118 Ca -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2rlo h ALA 118 Cb 1.80 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2rlo h ALA 118 CO 0.16 -0.41 0.06 0.82 0.00 0.00 0.00 179.25 179.88 2rlo h ILE 119 N -0.32 1.13 -0.19 0.00 5.03 -0.73 0.14 117.51 122.57 2rlo h ILE 119 Ca -0.01 -0.39 -0.06 0.00 -0.12 0.00 0.00 64.86 64.28 2rlo h ILE 119 Cb 0.29 1.14 -0.01 0.00 -3.03 0.00 0.00 36.82 35.21 2rlo h ILE 119 CO 0.01 0.12 -0.15 -0.33 -0.68 0.00 0.00 178.15 177.13 2rlo h GLU 120 N 0.08 0.31 -0.32 2.37 4.39 -1.39 -1.73 114.58 118.30 2rlo h GLU 120 Ca 0.05 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2rlo h GLU 120 Cb 0.14 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2rlo h GLU 120 CO -0.01 0.46 -0.02 0.77 -1.16 0.00 0.00 179.01 179.06 2rlo h SER 121 N 0.29 0.57 -0.10 1.42 0.02 0.11 0.10 113.55 115.96 2rlo h SER 121 Ca 0.06 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2rlo h SER 121 Cb 0.44 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2rlo h SER 121 CO 0.03 0.75 -0.11 1.56 -1.14 0.00 0.00 176.83 177.92 2rlo h GLN 122 N 0.37 0.43 -0.10 3.45 7.50 -0.67 -0.64 115.11 125.44 2rlo h GLN 122 Ca 0.09 -0.11 -0.22 0.00 0.50 0.00 0.00 58.65 58.91 2rlo h GLN 122 Cb 0.47 -0.05 0.01 0.00 0.05 0.00 0.00 27.48 27.95 2rlo h GLN 122 CO 0.02 0.54 -0.81 0.82 -1.50 0.00 0.00 178.83 177.90 2rlo h ILE 123 N 0.40 1.32 -0.24 2.54 2.04 -1.08 -1.84 117.51 120.65 2rlo h ILE 123 Ca 0.08 -2.10 -0.12 0.00 1.00 0.00 0.00 64.86 63.72 2rlo h ILE 123 Cb 0.44 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2rlo h ILE 123 CO 0.02 0.65 -0.35 0.25 0.00 0.00 0.00 178.15 178.72 2rlo h LEU 124 N 0.41 0.54 -0.33 1.44 5.85 -0.44 -1.70 115.31 121.08 2rlo h LEU 124 Ca -0.06 -0.22 -0.20 0.00 0.84 0.00 0.00 57.88 58.25 2rlo h LEU 124 Cb 1.42 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 2rlo h LEU 124 CO 0.15 0.85 -0.79 0.00 -0.34 0.00 0.00 178.44 178.31 2rlo h ALA 125 N 1.19 0.52 -0.00 1.25 0.00 -1.11 -3.05 119.26 118.06 2rlo h ALA 125 Ca 0.05 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 2rlo h ALA 125 Cb 0.82 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2rlo h ALA 125 CO 0.07 0.78 -0.57 0.77 0.00 0.00 0.00 179.25 180.30 2rlo h SER 126 N 0.27 0.00 -0.14 0.00 0.02 -1.19 -3.18 113.55 109.33 2rlo h SER 126 Ca -0.04 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2rlo h SER 126 Cb 1.39 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 2rlo h SER 126 CO 0.14 0.57 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.32 2rlo h LEU 127 N 0.00 0.25 -1.11 5.07 3.38 -1.26 -3.51 115.31 118.13 2rlo h LEU 127 Ca -0.01 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2rlo h LEU 127 Cb 1.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2rlo h LEU 127 CO 0.07 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.12