#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 3.39 -0.02 7.54 0.00 -1.26 -5.06 121.76 126.35 2rlo s ALA 2 Ca 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 51.96 49.93 2rlo s ALA 2 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2rlo s ALA 2 CO 0.00 -0.05 -0.05 0.42 0.00 0.00 0.00 175.76 176.07 2rlo s ILE 3 N -2.56 0.45 0.21 0.00 1.01 -1.26 -4.97 121.20 114.08 2rlo s ILE 3 Ca 0.38 -0.19 -0.32 0.00 0.00 0.00 0.00 60.65 60.52 2rlo s ILE 3 Cb 0.02 -0.42 -0.12 0.00 0.01 0.00 0.00 42.46 41.96 2rlo s ILE 3 CO 0.21 0.15 1.69 -2.16 0.00 0.00 0.00 174.94 174.83 2rlo s PRO 4 N 0.19 4.14 0.13 2.79 0.04 -1.26 -1.71 135.00 139.32 2rlo s PRO 4 Ca -0.02 2.56 0.21 0.00 0.04 0.00 0.00 61.00 63.79 2rlo s PRO 4 Cb -0.06 -3.08 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 2rlo s PRO 4 CO -0.00 -0.72 0.91 -0.89 0.04 0.00 0.00 177.00 176.34 2rlo n ILE 5 N 3.87 0.74 0.00 0.56 2.08 0.74 -4.88 119.36 122.47 2rlo n ILE 5 Ca 0.15 -0.59 0.00 0.00 0.56 0.00 0.00 62.75 62.87 2rlo n ILE 5 Cb 0.36 -0.42 0.00 0.00 -0.75 0.00 0.00 39.64 38.83 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 -2.70 0.00 -3.89 0.38 3.00 -0.87 -4.88 118.16 109.20 2rlo n LYS 6 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.98 2rlo n LYS 6 Cb 0.64 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.52 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 1.41 0.13 1.64 -0.44 -1.26 0.81 119.66 121.94 2rlo s GLN 7 Ca 0.00 -0.81 -0.10 0.00 -2.50 0.00 0.00 55.36 51.94 2rlo s GLN 7 Cb 0.00 -2.42 0.04 0.00 -1.64 0.00 0.00 33.01 28.99 2rlo s GLN 7 CO 0.00 -0.59 0.51 0.45 0.50 0.00 0.00 175.29 176.16 2rlo n SER 8 N 4.77 -1.00 -4.81 6.67 2.88 0.21 -4.98 113.62 117.36 2rlo n SER 8 Ca -0.11 -1.59 -0.36 0.00 -1.33 0.00 0.00 58.87 55.48 2rlo n SER 8 Cb 0.45 1.65 -0.06 0.00 -0.75 0.00 0.00 64.21 65.50 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2rlo s PHE 9 N -4.38 3.60 0.05 0.66 0.08 -1.26 -0.15 117.98 116.58 2rlo s PHE 9 Ca 0.11 1.44 0.01 0.00 0.12 0.00 0.00 56.93 58.61 2rlo s PHE 9 Cb -0.02 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.73 2rlo s PHE 9 CO 0.04 0.26 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.85 2rlo s LEU 10 N -2.18 2.34 0.06 -0.37 1.02 -0.69 -4.22 118.68 114.63 2rlo s LEU 10 Ca 0.47 -0.71 -0.21 0.00 0.02 0.00 0.00 54.13 53.70 2rlo s LEU 10 Cb -0.16 -0.05 -0.06 0.00 0.02 0.00 0.00 46.19 45.94 2rlo s LEU 10 CO 0.21 -0.33 0.64 -0.76 0.02 0.00 0.00 176.35 176.12 2rlo s LEU 11 N -2.07 4.49 -0.09 1.79 1.02 -0.96 0.12 118.68 122.98 2rlo s LEU 11 Ca -0.04 1.32 0.01 0.00 0.02 0.00 0.00 54.13 55.44 2rlo s LEU 11 Cb -0.04 -3.02 0.02 0.00 0.02 0.00 0.00 46.19 43.17 2rlo s LEU 11 CO -0.02 0.17 -0.09 -0.75 0.02 0.00 0.00 176.35 175.68 2rlo s LYS 12 N -0.68 1.53 0.56 1.70 2.47 -0.63 -1.04 119.74 123.65 2rlo s LYS 12 Ca 0.32 -0.29 -0.20 0.00 -1.56 0.00 0.00 55.97 54.24 2rlo s LYS 12 Cb -0.20 -1.47 -0.06 0.00 -1.46 0.00 0.00 37.83 34.64 2rlo s LYS 12 CO 0.20 -0.16 0.98 0.54 0.16 0.00 0.00 175.35 177.07 2rlo n ARG 13 N 4.52 1.03 -0.01 4.03 1.74 -1.26 -1.39 116.66 125.34 2rlo n ARG 13 Ca -0.17 0.39 -0.01 0.00 -0.77 0.00 0.00 57.85 57.30 2rlo n ARG 13 Cb 0.51 -2.15 -0.01 0.00 -1.02 0.00 0.00 32.46 29.79 2rlo n ARG 13 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2rlo n SER 14 N -0.45 3.99 -0.50 0.55 7.64 0.34 -4.87 113.62 120.32 2rlo n SER 14 Ca 0.12 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2rlo n SER 14 Cb 0.45 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2rlo n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rlo n GLY 15 N 3.36 1.59 3.26 0.23 0.00 -1.26 -5.02 105.19 107.36 2rlo n GLY 15 Ca -0.03 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 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 2.31 -0.17 1.61 4.13 -1.11 -4.92 115.26 117.11 2rlo n ASN 16 Ca 0.00 -2.53 -0.07 0.00 1.68 0.00 0.00 54.58 53.66 2rlo n ASN 16 Cb 0.00 -0.12 0.02 0.00 -1.54 0.00 0.00 39.78 38.14 2rlo n ASN 16 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2rlo h SER 17 N 0.43 0.59 -0.44 6.41 4.64 -2.00 -2.10 113.55 121.08 2rlo h SER 17 Ca -0.28 -0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.05 2rlo h SER 17 Cb 1.08 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 2rlo h SER 17 CO 0.43 0.45 0.29 0.25 -0.87 0.00 0.00 176.83 177.38 2rlo h LEU 18 N 0.68 0.34 -6.82 5.97 6.46 -2.07 -3.32 115.31 116.55 2rlo h LEU 18 Ca 0.18 -0.00 -0.60 0.00 -0.12 0.00 0.00 57.88 57.34 2rlo h LEU 18 Cb -0.05 -0.08 -0.40 0.00 -0.73 0.00 0.00 40.66 39.41 2rlo h LEU 18 CO -0.04 0.23 -0.78 0.21 -0.62 0.00 0.00 178.44 177.44 2rlo s ASN 19 N -6.54 3.28 0.62 1.25 3.84 -0.81 -5.12 114.94 111.46 2rlo s ASN 19 Ca -0.07 -2.69 -0.16 0.00 0.21 0.00 0.00 52.86 50.15 2rlo s ASN 19 Cb 0.18 -0.86 -0.02 0.00 -0.55 0.00 0.00 41.25 40.01 2rlo s ASN 19 CO 0.73 -0.25 1.10 -0.54 -2.79 0.00 0.00 177.10 175.35 2rlo s LYS 20 N 0.32 3.02 -0.30 0.43 1.02 -1.06 -2.76 119.74 120.42 2rlo s LYS 20 Ca 0.20 1.37 -0.08 0.00 0.02 0.00 0.00 55.97 57.48 2rlo s LYS 20 Cb -0.18 -1.98 0.19 0.00 -0.52 0.00 0.00 37.83 35.33 2rlo s LYS 20 CO -0.04 -1.07 0.97 -2.00 -0.92 0.00 0.00 175.35 172.29 2rlo s GLU 21 N -3.98 0.22 -0.02 1.68 2.12 -1.26 -4.88 118.70 112.58 2rlo s GLU 21 Ca 0.67 0.24 -0.07 0.00 0.36 0.00 0.00 54.97 56.17 2rlo s GLU 21 Cb -0.20 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.26 2rlo s GLU 21 CO 0.38 -0.39 0.24 -1.58 -0.54 0.00 0.00 175.26 173.37 2rlo s TRP 22 N 2.93 3.59 0.24 5.30 0.52 -1.26 0.13 118.94 130.39 2rlo s TRP 22 Ca 0.22 0.56 0.11 0.00 0.02 0.00 0.00 56.10 57.01 2rlo s TRP 22 Cb -0.04 -1.98 -0.05 0.00 -1.15 0.00 0.00 33.47 30.25 2rlo s TRP 22 CO -0.22 0.64 -0.19 0.15 0.02 0.00 0.00 176.95 177.35 2rlo s LYS 23 N -1.60 1.55 0.07 4.98 1.02 -0.48 -4.75 119.74 120.52 2rlo s LYS 23 Ca 0.25 -1.67 -0.31 0.00 0.02 0.00 0.00 55.97 54.26 2rlo s LYS 23 Cb -0.13 -1.60 -0.09 0.00 -0.52 0.00 0.00 37.83 35.49 2rlo s LYS 23 CO 0.14 0.30 1.76 0.15 -0.92 0.00 0.00 175.35 176.78 2rlo s LYS 24 N -3.38 4.17 0.19 1.68 -0.14 -1.26 -1.60 119.74 119.40 2rlo s LYS 24 Ca 0.26 2.45 0.01 0.00 -1.36 0.00 0.00 55.97 57.33 2rlo s LYS 24 Cb -0.04 -3.70 -0.00 0.00 -1.68 0.00 0.00 37.83 32.40 2rlo s LYS 24 CO 0.12 -0.81 0.04 1.17 -0.76 0.00 0.00 175.35 175.11 2rlo n LYS 25 N 6.01 1.05 -3.93 1.68 4.81 0.32 -4.57 118.16 123.53 2rlo n LYS 25 Ca 0.17 -1.52 -0.17 0.00 -0.87 0.00 0.00 58.31 55.92 2rlo n LYS 25 Cb 0.40 0.66 -0.16 0.00 0.02 0.00 0.00 35.03 35.95 2rlo n LYS 25 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2rlo s TYR 26 N -2.04 0.34 0.02 5.64 6.14 -0.25 -1.71 117.35 125.49 2rlo s TYR 26 Ca 0.06 -0.01 0.01 0.00 0.64 0.00 0.00 57.07 57.77 2rlo s TYR 26 Cb 0.00 -0.43 -0.01 0.00 0.42 0.00 0.00 41.96 41.94 2rlo s TYR 26 CO 0.04 -0.14 -0.05 0.08 0.64 0.00 0.00 175.55 176.12 2rlo s VAL 27 N 1.06 0.32 -0.17 3.14 1.01 0.78 0.61 120.40 127.16 2rlo s VAL 27 Ca -0.09 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2rlo s VAL 27 Cb -0.14 -0.37 0.06 0.00 0.00 0.00 0.00 36.38 35.94 2rlo s VAL 27 CO -0.02 -0.22 0.08 -0.89 0.00 0.00 0.00 175.10 174.05 2rlo s THR 28 N -0.85 0.04 -0.34 3.92 2.01 0.17 -0.62 115.64 119.98 2rlo s THR 28 Ca -0.07 -0.20 -0.21 0.00 0.31 0.00 0.00 61.69 61.52 2rlo s THR 28 Cb -0.06 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.81 2rlo s THR 28 CO -0.00 -0.23 0.69 -0.22 -0.69 0.00 0.00 174.62 174.17 2rlo s LEU 29 N 2.08 4.17 0.20 4.42 1.98 0.24 -2.29 118.68 129.48 2rlo s LEU 29 Ca 0.02 0.35 0.04 0.00 -2.89 0.00 0.00 54.13 51.65 2rlo s LEU 29 Cb -0.16 -2.89 -0.03 0.00 0.66 0.00 0.00 46.19 43.77 2rlo s LEU 29 CO -0.08 -0.59 0.31 -0.94 -1.89 0.00 0.00 176.35 173.15 2rlo s SER 30 N 1.73 6.25 0.00 3.68 1.04 -0.54 0.26 113.70 126.12 2rlo s SER 30 Ca 0.27 0.09 0.28 0.00 0.48 0.00 0.00 55.95 57.07 2rlo s SER 30 Cb -0.14 -1.84 1.59 0.00 0.10 0.00 0.00 66.02 65.73 2rlo s SER 30 CO 0.14 -0.01 1.99 -1.54 0.98 0.00 0.00 173.24 174.80 2rlo n SER 31 N -0.95 0.00 -1.38 7.02 3.41 -0.70 -3.40 113.62 117.62 2rlo n SER 31 Ca -0.08 -0.70 -0.05 0.00 -0.26 0.00 0.00 58.87 57.78 2rlo n SER 31 Cb 0.56 -0.06 0.12 0.00 -0.26 0.00 0.00 64.21 64.56 2rlo n SER 31 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2rlo n ASN 32 N -1.06 3.24 -3.73 4.04 2.85 -1.26 -4.83 115.26 114.50 2rlo n ASN 32 Ca 0.19 -2.59 -0.27 0.00 -0.11 0.00 0.00 54.58 51.80 2rlo n ASN 32 Cb 0.12 -0.62 0.06 0.00 1.24 0.00 0.00 39.78 40.58 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2rlo n GLY 33 N -0.04 -0.52 2.96 8.20 0.00 -1.22 -4.90 105.19 109.67 2rlo n GLY 33 Ca 0.21 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.15 1.61 2.19 -1.25 0.02 117.98 117.41 2rlo s PHE 34 Ca 0.61 -0.27 -0.00 0.00 0.33 0.00 0.00 56.93 57.59 2rlo s PHE 34 Cb -0.28 -0.20 0.04 0.00 -1.31 0.00 0.00 43.02 41.26 2rlo s PHE 34 CO 0.77 -0.07 -0.06 -1.17 1.83 0.00 0.00 175.22 176.52 2rlo s LEU 35 N -0.75 1.45 -0.05 6.12 2.96 -0.92 -1.47 118.68 126.02 2rlo s LEU 35 Ca -0.06 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 2rlo s LEU 35 Cb -0.05 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 2rlo s LEU 35 CO -0.00 -0.16 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.85 2rlo s LEU 36 N 1.66 2.06 -0.01 -0.68 1.02 -0.97 -1.13 118.68 120.64 2rlo s LEU 36 Ca 0.02 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.68 2rlo s LEU 36 Cb -0.14 -1.36 0.01 0.00 0.02 0.00 0.00 46.19 44.72 2rlo s LEU 36 CO -0.08 0.27 0.01 -0.72 0.02 0.00 0.00 176.35 175.84 2rlo s TYR 37 N -0.29 0.06 0.28 0.29 1.13 -0.53 0.42 117.35 118.70 2rlo s TYR 37 Ca 0.00 0.03 0.11 0.00 -1.41 0.00 0.00 57.07 55.81 2rlo s TYR 37 Cb -0.13 -0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.57 2rlo s TYR 37 CO 0.02 -0.04 -0.10 -1.01 -2.51 0.00 0.00 175.55 171.92 2rlo s HIS 38 N 0.39 2.50 0.25 -3.49 0.09 0.20 -1.69 115.29 113.54 2rlo s HIS 38 Ca -0.03 -0.28 -0.04 0.00 -0.00 0.00 0.00 55.06 54.70 2rlo s HIS 38 Cb -0.05 -1.11 0.50 0.00 -0.00 0.00 0.00 32.58 31.93 2rlo s HIS 38 CO -0.01 0.66 1.67 -1.35 -0.00 0.00 0.00 174.74 175.71 2rlo h PRO 39 N 2.07 0.23 0.00 8.40 0.11 -1.93 -0.65 132.00 140.24 2rlo h PRO 39 Ca -0.42 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2rlo h PRO 39 Cb 1.25 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2rlo h PRO 39 CO 0.60 0.15 0.01 0.45 -0.21 0.00 0.00 178.00 179.01 2rlo n SER 40 N -5.19 -0.18 -0.16 -2.05 2.88 -1.26 -3.99 113.62 103.65 2rlo n SER 40 Ca 0.15 -1.15 -0.09 0.00 -1.33 0.00 0.00 58.87 56.45 2rlo n SER 40 Cb 0.50 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 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 1.09 1.24 -0.58 2.46 5.03 -1.88 -2.15 117.51 122.72 2rlo h ILE 41 Ca -0.03 -0.86 0.17 0.00 -0.12 0.00 0.00 64.86 64.02 2rlo h ILE 41 Cb 0.11 0.90 -0.02 0.00 -3.03 0.00 0.00 36.82 34.78 2rlo h ILE 41 CO 0.04 0.31 0.54 -0.55 -0.68 0.00 0.00 178.15 177.80 2rlo h ASN 42 N 0.64 0.00 0.06 1.72 -1.07 -1.98 0.40 115.58 115.35 2rlo h ASN 42 Ca 0.14 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.23 2rlo h ASN 42 Cb 0.35 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.63 2rlo h ASN 42 CO 0.00 0.00 -1.14 0.44 0.07 0.00 0.00 177.43 176.81 2rlo h ASP 43 N 0.00 0.90 0.05 6.14 5.19 -1.79 -1.90 116.42 125.01 2rlo h ASP 43 Ca 0.28 -0.77 -0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2rlo h ASP 43 Cb 1.35 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.58 2rlo h ASP 43 CO -0.00 1.57 -0.02 0.22 -3.12 0.00 0.00 179.24 177.89 2rlo h TYR 44 N 0.35 -0.06 0.58 4.55 3.20 -0.26 0.92 116.97 126.25 2rlo h TYR 44 Ca -0.16 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 2rlo h TYR 44 Cb 1.80 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.07 2rlo h TYR 44 CO 0.11 0.50 -0.44 0.82 -1.64 0.00 0.00 178.16 177.51 2rlo h ILE 45 N -0.67 0.00 0.00 1.81 2.04 -0.59 -2.94 117.51 117.17 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 0.59 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2rlo h ILE 45 CO 0.01 0.00 -0.34 0.45 0.00 0.00 0.00 178.15 178.27 2rlo h HIS 46 N -0.99 0.00 -3.72 1.37 3.86 -1.47 -3.48 115.15 110.72 2rlo h HIS 46 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2rlo h HIS 46 Cb 0.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.29 2rlo h HIS 46 CO -0.15 0.34 -0.02 0.43 0.86 0.00 0.00 177.93 179.39 2rlo n SER 47 N -3.42 -3.78 -2.27 2.45 7.64 0.29 -5.03 113.62 109.50 2rlo n SER 47 Ca 0.00 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2rlo n SER 47 Cb 0.52 -2.32 0.00 0.00 -1.01 0.00 0.00 64.21 61.40 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 -1.15 0.00 -0.38 0.44 -2.24 0.50 -4.90 114.28 106.55 2rlo n THR 48 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2rlo n THR 48 Cb 0.46 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 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 -0.13 -2.63 4.78 -0.00 -1.26 -4.91 115.22 111.07 2rlo n HIS 49 Ca 0.00 1.19 -0.05 0.00 -0.00 0.00 0.00 57.72 58.86 2rlo n HIS 49 Cb 0.00 -0.76 -0.04 0.00 -0.00 0.00 0.00 29.99 29.19 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 -1.38 -5.06 3.81 1.57 0.00 -1.26 -4.97 105.19 97.90 2rlo n GLY 50 Ca 0.07 1.66 -0.32 0.00 0.00 0.00 0.00 46.02 47.43 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 -0.75 3.24 0.05 1.61 2.20 -0.68 -4.89 119.74 120.52 2rlo s LYS 51 Ca -0.26 1.08 -0.26 0.00 -0.36 0.00 0.00 55.97 56.17 2rlo s LYS 51 Cb 0.02 -2.03 0.06 0.00 -1.51 0.00 0.00 37.83 34.37 2rlo s LYS 51 CO 0.78 -0.86 0.60 -1.83 -0.36 0.00 0.00 175.35 173.68 2rlo s GLU 52 N -4.46 1.12 0.01 4.03 -1.05 -1.26 -1.45 118.70 115.64 2rlo s GLU 52 Ca 0.61 -0.13 -0.07 0.00 -0.15 0.00 0.00 54.97 55.23 2rlo s GLU 52 Cb -0.15 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 2rlo s GLU 52 CO 0.43 -0.41 0.14 0.00 0.95 0.00 0.00 175.26 176.37 2rlo s MET 53 N -2.39 0.52 -0.23 -4.83 0.23 -0.28 -4.97 119.30 107.36 2rlo s MET 53 Ca -0.05 -0.47 -0.26 0.00 -1.03 0.00 0.00 55.69 53.88 2rlo s MET 53 Cb -0.01 0.21 -0.00 0.00 -1.53 0.00 0.00 34.83 33.51 2rlo s MET 53 CO -0.01 -0.13 0.87 0.34 -2.03 0.00 0.00 175.02 174.06 2rlo s ASP 54 N -1.56 6.91 -0.17 -1.18 -1.08 -1.26 -2.18 116.67 116.15 2rlo s ASP 54 Ca -0.13 1.13 -0.01 0.00 -0.52 0.00 0.00 52.55 53.03 2rlo s ASP 54 Cb -0.06 -2.46 0.11 0.00 -1.46 0.00 0.00 42.92 39.05 2rlo s ASP 54 CO 0.00 -0.53 2.04 0.18 0.52 0.00 0.00 175.17 177.38 2rlo n LEU 55 N 5.93 5.94 -0.05 -1.34 4.77 0.10 -4.36 117.00 127.99 2rlo n LEU 55 Ca 0.07 -2.89 -0.01 0.00 -0.03 0.00 0.00 56.01 53.14 2rlo n LEU 55 Cb 0.47 -1.10 -0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2rlo n LEU 55 CO 0.48 1.14 -0.10 0.25 -1.33 0.00 0.00 177.39 177.83 2rlo h LEU 56 N 2.79 0.00 -3.73 2.23 5.85 -1.86 -3.19 115.31 117.40 2rlo h LEU 56 Ca 0.15 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.34 2rlo h LEU 56 Cb 0.96 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 41.59 2rlo h LEU 56 CO 0.40 0.49 -0.67 0.54 -0.34 0.00 0.00 178.44 178.87 2rlo n ARG 57 N -4.29 3.44 -1.92 1.25 1.74 -1.26 -4.38 116.66 111.24 2rlo n ARG 57 Ca -0.02 -4.05 -0.30 0.00 -0.77 0.00 0.00 57.85 52.70 2rlo n ARG 57 Cb 0.08 -2.25 0.02 0.00 -1.02 0.00 0.00 32.46 29.30 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 -4.54 4.19 0.12 0.55 -4.23 -1.26 -4.53 115.64 105.94 2rlo s THR 58 Ca 0.51 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.72 2rlo s THR 58 Cb 0.42 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 2rlo s THR 58 CO 0.03 -0.91 -0.09 0.42 -0.54 0.00 0.00 174.62 173.54 2rlo s THR 59 N -3.23 0.97 -0.14 3.99 -4.23 0.26 -4.95 115.64 108.31 2rlo s THR 59 Ca 0.56 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 2rlo s THR 59 Cb -0.11 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 72.03 2rlo s THR 59 CO 0.52 -0.76 -0.20 0.68 -0.54 0.00 0.00 174.62 174.32 2rlo s VAL 60 N -3.29 1.95 -0.11 2.29 -7.23 -1.26 -0.27 120.40 112.48 2rlo s VAL 60 Ca 0.13 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.37 2rlo s VAL 60 Cb 0.03 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 2rlo s VAL 60 CO -0.01 0.53 0.04 -0.54 -0.31 0.00 0.00 175.10 174.80 2rlo s LYS 61 N 0.98 3.22 -0.32 4.82 1.02 -0.87 -4.91 119.74 123.68 2rlo s LYS 61 Ca -0.04 -0.34 -0.00 0.00 0.02 0.00 0.00 55.97 55.61 2rlo s LYS 61 Cb -0.15 -2.93 0.07 0.00 -0.52 0.00 0.00 37.83 34.30 2rlo s LYS 61 CO -0.05 0.66 0.02 0.14 -0.92 0.00 0.00 175.35 175.21 2rlo s VAL 62 N -0.74 2.82 -0.95 3.17 -7.23 -1.26 -0.74 120.40 115.47 2rlo s VAL 62 Ca 0.12 -1.67 -0.27 0.00 -1.81 0.00 0.00 61.98 58.35 2rlo s VAL 62 Cb -0.12 -2.74 -0.25 0.00 0.56 0.00 0.00 36.38 33.83 2rlo s VAL 62 CO 0.02 -0.26 2.04 -2.65 -0.31 0.00 0.00 175.10 173.94 2rlo n PRO 63 N 4.54 0.19 0.00 4.82 -0.02 -1.26 -3.93 135.00 139.34 2rlo n PRO 63 Ca -0.09 -1.66 0.00 0.00 -2.02 0.00 0.00 63.50 59.73 2rlo n PRO 63 Cb 0.43 -3.74 0.00 0.00 -0.02 0.00 0.00 33.50 30.17 2rlo n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rlo n GLY 64 N 5.95 0.43 3.14 -1.23 0.00 -1.26 -5.02 105.19 107.20 2rlo n GLY 64 Ca 0.42 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 0.43 -1.68 -1.43 1.61 4.81 -1.25 -4.78 118.16 115.86 2rlo n LYS 65 Ca 0.00 -0.49 0.18 0.00 -0.87 0.00 0.00 58.31 57.13 2rlo n LYS 65 Cb 0.00 -1.53 -0.08 0.00 0.02 0.00 0.00 35.03 33.44 2rlo n LYS 65 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2rlo n ARG 66 N -1.42 -3.19 -1.70 1.64 3.00 -1.26 -4.81 116.66 108.93 2rlo n ARG 66 Ca 0.02 2.47 -0.38 0.00 -0.01 0.00 0.00 57.85 59.96 2rlo n ARG 66 Cb 0.54 -3.77 0.06 0.00 0.00 0.00 0.00 32.46 29.29 2rlo n ARG 66 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2rlo n PRO 67 N -4.31 1.21 -1.88 5.56 -0.04 -1.26 -4.85 135.00 129.43 2rlo n PRO 67 Ca -0.06 0.46 -0.30 0.00 -0.04 0.00 0.00 63.50 63.56 2rlo n PRO 67 Cb 0.67 -2.42 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 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 -3.03 2.34 0.28 0.54 0.04 -1.26 -4.91 135.00 129.00 2rlo s PRO 68 Ca 0.77 0.41 0.02 0.00 0.04 0.00 0.00 61.00 62.24 2rlo s PRO 68 Cb -0.41 -4.72 -0.01 0.00 0.04 0.00 0.00 34.50 29.41 2rlo s PRO 68 CO 0.45 -3.34 0.06 0.54 0.04 0.00 0.00 177.00 174.76 2rlo n ARG 69 N 8.99 0.87 0.16 4.56 5.12 -1.26 -4.27 116.66 130.83 2rlo n ARG 69 Ca 0.34 -2.26 -0.14 0.00 -1.93 0.00 0.00 57.85 53.85 2rlo n ARG 69 Cb 0.49 1.02 -0.07 0.00 -1.16 0.00 0.00 32.46 32.74 2rlo n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rlo h ALA 70 N 1.35 -0.66 -3.00 7.54 0.00 -1.91 -3.47 119.26 119.10 2rlo h ALA 70 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2rlo h ALA 70 Cb 0.79 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2rlo h ALA 70 CO 0.36 -0.92 0.00 -0.89 0.00 0.00 0.00 179.25 177.80 2rlo n ILE 71 N -5.44 0.00 0.00 0.00 5.41 -1.26 -5.01 119.36 113.06 2rlo n ILE 71 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2rlo n ILE 71 Cb 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 2rlo n ILE 71 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2rlo n SER 72 N -0.97 0.00 -1.28 4.38 2.88 -1.26 -5.02 113.62 112.35 2rlo n SER 72 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2rlo n SER 72 Cb 0.00 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.00 3.16 -2.88 -1.46 0.00 -1.26 -4.96 120.51 113.11 2rlo n ALA 73 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 53.44 52.23 2rlo n ALA 73 Cb 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 0.53 -3.41 -1.44 0.00 -0.00 -1.26 -4.32 117.46 107.56 2rlo n PHE 74 Ca 0.18 1.44 0.20 0.00 -0.00 0.00 0.00 57.45 59.26 2rlo n PHE 74 Cb 0.75 -3.67 -0.05 0.00 -0.00 0.00 0.00 39.48 36.51 2rlo n PHE 74 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2rlo n GLY 75 N 0.22 -1.91 3.51 7.13 0.00 -1.26 -4.08 105.19 108.79 2rlo n GLY 75 Ca 0.05 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 2rlo n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rlo n PRO 76 N -4.23 0.42 -3.20 1.61 -0.02 -1.26 -4.67 135.00 123.65 2rlo n PRO 76 Ca 0.01 -1.61 -0.14 0.00 -2.02 0.00 0.00 63.50 59.74 2rlo n PRO 76 Cb 0.66 -3.37 -0.05 0.00 -0.02 0.00 0.00 33.50 30.72 2rlo n PRO 76 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2rlo s SER 77 N 7.42 0.23 0.01 2.55 0.01 -1.26 -5.02 113.70 117.65 2rlo s SER 77 Ca 0.74 -1.86 -0.25 0.00 1.31 0.00 0.00 55.95 55.88 2rlo s SER 77 Cb 0.04 0.85 -0.18 0.00 0.21 0.00 0.00 66.02 66.94 2rlo s SER 77 CO 0.23 -0.17 1.33 0.00 0.41 0.00 0.00 173.24 175.03 2rlo h ALA 78 N 6.21 -0.20 -5.40 1.44 0.00 -1.84 -3.44 119.26 116.03 2rlo h ALA 78 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2rlo h ALA 78 Cb 1.05 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2rlo h ALA 78 CO 0.18 -0.44 -0.62 0.43 0.00 0.00 0.00 179.25 178.80 2rlo n SER 79 N -5.02 -7.73 0.00 0.00 7.64 -1.26 -4.54 113.62 102.71 2rlo n SER 79 Ca -0.09 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.34 2rlo n SER 79 Cb 0.22 -5.01 0.00 0.00 -1.01 0.00 0.00 64.21 58.41 2rlo n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rlo n GLY 80 N -0.19 2.19 1.33 0.23 0.00 -1.26 -5.05 105.19 102.44 2rlo n GLY 80 Ca 0.09 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 2.26 -4.99 1.61 3.41 -1.26 -5.16 113.62 109.48 2rlo n SER 81 Ca 0.00 -1.77 -0.22 0.00 -0.26 0.00 0.00 58.87 56.62 2rlo n SER 81 Cb 0.00 0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.31 4.63 -0.20 7.33 0.00 -1.26 -4.70 121.76 125.25 2rlo s ALA 82 Ca 0.03 -1.81 -0.22 0.00 0.00 0.00 0.00 51.96 49.96 2rlo s ALA 82 Cb -0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 2rlo s ALA 82 CO 0.02 -0.73 0.69 0.20 0.00 0.00 0.00 175.76 175.95 2rlo s GLY 83 N -4.53 2.00 0.05 0.00 0.00 -1.26 -4.94 107.32 98.64 2rlo s GLY 83 Ca 0.51 -0.22 0.07 0.00 0.00 0.00 0.00 44.72 45.09 2rlo s GLY 83 CO 0.32 1.45 1.03 -1.61 0.00 0.00 0.00 173.10 174.29 2rlo h GLN 84 N 7.53 0.04 -6.29 2.90 4.15 -2.01 -3.46 115.11 117.97 2rlo h GLN 84 Ca -0.29 -0.07 -0.56 0.00 0.77 0.00 0.00 58.65 58.50 2rlo h GLN 84 Cb 1.13 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.81 2rlo h GLN 84 CO 0.80 0.86 -0.09 0.00 -1.93 0.00 0.00 178.83 178.47 2rlo s ALA 85 N -2.66 3.59 -0.19 3.38 0.00 -1.26 -4.96 121.76 119.65 2rlo s ALA 85 Ca -0.02 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 51.90 2rlo s ALA 85 Cb 0.09 -2.53 0.23 0.00 0.00 0.00 0.00 23.12 20.92 2rlo s ALA 85 CO 0.83 0.45 1.11 -1.91 0.00 0.00 0.00 175.76 176.24 2rlo n GLU 86 N 1.00 0.78 -0.19 0.00 4.07 -1.26 -4.26 120.64 120.78 2rlo n GLU 86 Ca -0.07 -0.74 -0.02 0.00 -0.06 0.00 0.00 57.16 56.27 2rlo n GLU 86 Cb 0.52 0.29 0.19 0.00 -0.06 0.00 0.00 31.44 32.37 2rlo n GLU 86 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2rlo h GLU 87 N 0.57 0.95 -6.00 5.31 4.81 -1.93 -3.47 114.58 114.82 2rlo h GLU 87 Ca -0.29 -0.14 -0.39 0.00 -0.13 0.00 0.00 59.36 58.42 2rlo h GLU 87 Cb 1.18 -0.17 0.10 0.00 0.63 0.00 0.00 28.75 30.49 2rlo h GLU 87 CO -0.12 0.76 -0.88 0.39 -0.73 0.00 0.00 179.01 178.42 2rlo n GLU 88 N -4.32 -2.79 -2.89 1.92 1.02 -1.26 -4.91 120.64 107.41 2rlo n GLU 88 Ca 0.06 0.61 -0.43 0.00 -0.02 0.00 0.00 57.16 57.38 2rlo n GLU 88 Cb 0.16 -4.90 -0.04 0.00 -0.02 0.00 0.00 31.44 26.63 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 -3.78 6.27 -0.46 1.62 3.04 -1.26 -5.01 114.94 115.36 2rlo s ASN 89 Ca 0.30 -0.62 -0.21 0.00 0.04 0.00 0.00 52.86 52.37 2rlo s ASN 89 Cb -0.08 -2.41 0.03 0.00 -1.54 0.00 0.00 41.25 37.25 2rlo s ASN 89 CO 0.82 -1.24 0.66 -0.36 -3.04 0.00 0.00 177.10 173.93 2rlo s PHE 90 N 3.80 3.04 -0.01 0.43 0.40 -1.26 -4.90 117.98 119.49 2rlo s PHE 90 Ca 0.26 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 2rlo s PHE 90 Cb -0.15 -3.43 0.01 0.00 0.51 0.00 0.00 43.02 39.96 2rlo s PHE 90 CO 0.15 -0.94 -0.01 -1.21 0.70 0.00 0.00 175.22 173.92 2rlo s GLU 91 N 2.85 0.12 0.04 0.44 2.02 -1.26 -2.83 118.70 120.07 2rlo s GLU 91 Ca 0.21 0.00 0.05 0.00 0.02 0.00 0.00 54.97 55.26 2rlo s GLU 91 Cb -0.15 -0.18 -0.02 0.00 0.10 0.00 0.00 34.13 33.88 2rlo s GLU 91 CO 0.18 -0.02 -0.15 -0.59 0.02 0.00 0.00 175.26 174.70 2rlo s PHE 92 N 0.28 1.29 0.09 1.61 -0.71 -0.33 -4.26 117.98 115.94 2rlo s PHE 92 Ca -0.02 -0.35 0.03 0.00 -1.04 0.00 0.00 56.93 55.55 2rlo s PHE 92 Cb -0.04 -0.77 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 2rlo s PHE 92 CO -0.01 0.04 0.09 -0.51 -1.34 0.00 0.00 175.22 173.50 2rlo s LEU 93 N -1.12 3.83 -0.25 -1.99 1.43 0.08 -1.35 118.68 119.30 2rlo s LEU 93 Ca 0.02 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2rlo s LEU 93 Cb -0.08 -2.49 0.06 0.00 0.03 0.00 0.00 46.19 43.71 2rlo s LEU 93 CO 0.01 0.15 -0.05 -0.63 0.23 0.00 0.00 176.35 176.07 2rlo s ILE 94 N -1.45 1.69 -0.25 -0.59 -1.09 0.85 -2.04 121.20 118.31 2rlo s ILE 94 Ca 0.30 -1.40 -0.12 0.00 -2.23 0.00 0.00 60.65 57.20 2rlo s ILE 94 Cb -0.12 -1.96 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 2rlo s ILE 94 CO 0.22 -0.15 0.21 -0.69 -1.23 0.00 0.00 174.94 173.31 2rlo s VAL 95 N 1.30 5.31 0.52 2.92 1.01 0.63 0.41 120.40 132.51 2rlo s VAL 95 Ca -0.04 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 2rlo s VAL 95 Cb -0.19 -3.55 0.11 0.00 0.00 0.00 0.00 36.38 32.75 2rlo s VAL 95 CO -0.07 0.29 0.72 -1.54 0.00 0.00 0.00 175.10 174.49 2rlo n SER 96 N 4.66 0.62 -0.20 3.32 3.41 0.02 -0.57 113.62 124.89 2rlo n SER 96 Ca -0.13 -1.61 0.15 0.00 -0.26 0.00 0.00 58.87 57.02 2rlo n SER 96 Cb 0.52 -0.49 0.67 0.00 -0.26 0.00 0.00 64.21 64.64 2rlo n SER 96 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2rlo n SER 97 N -3.13 0.68 -0.81 4.04 2.88 -1.26 -3.44 113.62 112.58 2rlo n SER 97 Ca 0.11 -0.99 0.07 0.00 -1.33 0.00 0.00 58.87 56.73 2rlo n SER 97 Cb 0.38 -0.02 0.24 0.00 -0.75 0.00 0.00 64.21 64.06 2rlo n SER 97 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2rlo n THR 98 N -0.61 2.27 0.00 2.46 5.66 -1.26 -4.94 114.28 117.86 2rlo n THR 98 Ca 0.18 -2.03 0.00 0.00 -3.05 0.00 0.00 64.05 59.15 2rlo n THR 98 Cb 0.26 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -0.71 3.00 3.66 1.09 0.00 -1.22 -4.97 105.19 106.03 2rlo n GLY 99 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.01 4.12 -0.25 1.61 0.74 -1.26 -4.73 119.66 119.88 2rlo s GLN 100 Ca 0.00 2.51 -0.02 0.00 0.05 0.00 0.00 55.36 57.90 2rlo s GLN 100 Cb 0.00 -4.14 0.02 0.00 1.10 0.00 0.00 33.01 30.00 2rlo s GLN 100 CO 0.00 -0.97 -0.05 0.99 -0.55 0.00 0.00 175.29 174.71 2rlo s THR 101 N 4.49 2.98 -0.51 -0.34 2.01 -1.26 -0.80 115.64 122.21 2rlo s THR 101 Ca 0.86 -0.97 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 2rlo s THR 101 Cb -0.41 -2.51 0.06 0.00 0.01 0.00 0.00 72.50 69.66 2rlo s THR 101 CO 0.39 0.20 0.65 0.26 -0.69 0.00 0.00 174.62 175.43 2rlo s TRP 102 N 1.35 3.03 -0.33 4.92 0.52 0.17 -4.84 118.94 123.75 2rlo s TRP 102 Ca 0.01 -0.50 -0.16 0.00 0.02 0.00 0.00 56.10 55.46 2rlo s TRP 102 Cb -0.17 -3.58 -0.01 0.00 -1.15 0.00 0.00 33.47 28.56 2rlo s TRP 102 CO -0.04 -1.05 0.41 -1.58 0.02 0.00 0.00 176.95 174.71 2rlo s HIS 103 N 2.72 3.21 0.32 -1.98 2.46 -1.26 -0.11 115.29 120.64 2rlo s HIS 103 Ca 0.16 0.13 0.08 0.00 0.47 0.00 0.00 55.06 55.90 2rlo s HIS 103 Cb -0.19 -2.73 -0.06 0.00 -0.13 0.00 0.00 32.58 29.47 2rlo s HIS 103 CO 0.12 -0.42 -0.09 -0.06 -2.47 0.00 0.00 174.74 171.82 2rlo s PHE 104 N 2.14 2.23 -0.28 3.88 0.08 -0.46 -4.23 117.98 121.33 2rlo s PHE 104 Ca 0.15 -0.57 -0.00 0.00 0.12 0.00 0.00 56.93 56.62 2rlo s PHE 104 Cb -0.16 -1.26 0.09 0.00 -0.57 0.00 0.00 43.02 41.11 2rlo s PHE 104 CO 0.12 0.47 0.06 -2.00 -0.10 0.00 0.00 175.22 173.77 2rlo s GLU 105 N -3.65 0.97 -0.02 0.44 2.12 -0.20 -1.19 118.70 117.16 2rlo s GLU 105 Ca 0.31 -1.08 -0.37 0.00 0.36 0.00 0.00 54.97 54.19 2rlo s GLU 105 Cb 0.03 -2.28 -0.16 0.00 0.26 0.00 0.00 34.13 31.98 2rlo s GLU 105 CO 0.15 -0.86 1.53 0.00 -0.54 0.00 0.00 175.26 175.54 2rlo n ALA 106 N 4.76 -0.30 0.27 6.30 0.00 -1.13 -2.26 120.51 128.15 2rlo n ALA 106 Ca -0.04 0.45 0.10 0.00 0.00 0.00 0.00 53.44 53.95 2rlo n ALA 106 Cb 0.43 -2.19 0.71 0.00 0.00 0.00 0.00 19.45 18.40 2rlo n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rlo h ALA 107 N 5.88 1.78 -4.01 0.00 0.00 -1.90 -3.42 119.26 117.60 2rlo h ALA 107 Ca -0.47 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 53.91 2rlo h ALA 107 Cb 1.31 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.83 2rlo h ALA 107 CO 0.86 0.04 -0.82 0.45 0.00 0.00 0.00 179.25 179.78 2rlo s SER 108 N -6.74 1.92 0.18 0.00 0.15 -1.26 -5.05 113.70 102.90 2rlo s SER 108 Ca -0.05 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.06 2rlo s SER 108 Cb 0.16 -0.17 0.12 0.00 -1.71 0.00 0.00 66.02 64.42 2rlo s SER 108 CO 0.63 0.12 1.79 -0.26 1.20 0.00 0.00 173.24 176.73 2rlo h PHE 109 N 5.21 0.50 -0.83 3.44 0.04 -1.97 -0.11 116.94 123.22 2rlo h PHE 109 Ca -0.38 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.39 2rlo h PHE 109 Cb 1.17 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 39.13 2rlo h PHE 109 CO 0.48 0.26 0.44 0.93 -0.60 0.00 0.00 178.31 179.81 2rlo h GLU 110 N 0.53 1.17 -0.29 1.51 5.08 -1.97 -2.28 114.58 118.34 2rlo h GLU 110 Ca 0.21 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2rlo h GLU 110 Cb 0.09 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2rlo h GLU 110 CO -0.13 0.88 -0.13 1.49 -1.00 0.00 0.00 179.01 180.12 2rlo h GLU 111 N 1.16 0.49 -0.21 2.33 4.57 -1.79 -2.47 114.58 118.66 2rlo h GLU 111 Ca 0.29 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.36 2rlo h GLU 111 Cb 0.06 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 2rlo h GLU 111 CO -0.04 0.61 -0.00 -0.09 -1.18 0.00 0.00 179.01 178.31 2rlo h ARG 112 N 0.45 0.06 -0.47 1.92 1.12 -0.44 0.19 114.38 117.22 2rlo h ARG 112 Ca 0.08 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.89 2rlo h ARG 112 Cb 0.49 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.42 2rlo h ARG 112 CO 0.03 0.04 0.06 0.38 -3.11 0.00 0.00 179.97 177.37 2rlo h ASP 113 N 0.06 0.76 0.04 -3.80 3.04 -1.43 -0.24 116.42 114.85 2rlo h ASP 113 Ca 0.10 -0.27 0.02 0.00 -3.24 0.00 0.00 57.03 53.64 2rlo h ASP 113 Cb 0.12 -0.20 -0.03 0.00 -1.04 0.00 0.00 39.33 38.18 2rlo h ASP 113 CO -0.17 0.83 -0.16 0.00 -2.04 0.00 0.00 179.24 177.70 2rlo h ALA 114 N 0.95 -0.23 0.32 4.15 0.00 -0.97 0.42 119.26 123.91 2rlo h ALA 114 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2rlo h ALA 114 Cb 0.41 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2rlo h ALA 114 CO 0.01 -0.67 -0.31 -1.49 0.00 0.00 0.00 179.25 176.79 2rlo h TRP 115 N -0.29 -0.84 -0.90 0.00 4.06 -0.52 1.08 115.95 118.55 2rlo h TRP 115 Ca 0.04 0.01 0.17 0.00 2.06 0.00 0.00 58.89 61.16 2rlo h TRP 115 Cb 0.34 0.33 -0.07 0.00 -1.00 0.00 0.00 29.16 28.75 2rlo h TRP 115 CO -0.20 -0.45 0.58 0.28 -3.56 0.00 0.00 178.44 175.09 2rlo h VAL 116 N -0.66 0.77 -0.00 1.49 2.07 -0.78 0.60 116.25 119.74 2rlo h VAL 116 Ca -0.02 -0.20 -0.17 0.00 0.82 0.00 0.00 66.70 67.13 2rlo h VAL 116 Cb 0.60 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2rlo h VAL 116 CO -0.06 0.11 -0.80 -0.61 0.02 0.00 0.00 177.57 176.23 2rlo h GLN 117 N 0.59 0.01 -0.25 1.57 5.75 0.80 -2.57 115.11 121.01 2rlo h GLN 117 Ca 0.46 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.81 2rlo h GLN 117 Cb 0.88 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 2rlo h GLN 117 CO -0.21 0.80 -0.43 0.00 -2.65 0.00 0.00 178.83 176.34 2rlo h ALA 118 N 1.20 0.77 0.14 3.38 0.00 0.62 0.29 119.26 125.67 2rlo h ALA 118 Ca -0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2rlo h ALA 118 Cb 1.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2rlo h ALA 118 CO 0.10 0.66 -0.07 0.82 0.00 0.00 0.00 179.25 180.77 2rlo h ILE 119 N 0.51 1.03 -0.19 0.00 1.08 -0.36 -0.93 117.51 118.64 2rlo h ILE 119 Ca 0.04 -0.87 -0.06 0.00 -0.39 0.00 0.00 64.86 63.58 2rlo h ILE 119 Cb 0.95 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 2rlo h ILE 119 CO 0.09 0.20 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.26 2rlo h GLU 120 N -0.61 0.32 -0.65 2.37 4.39 -1.47 -1.81 114.58 117.12 2rlo h GLU 120 Ca -0.02 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 2rlo h GLU 120 Cb 0.47 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2rlo h GLU 120 CO 0.03 0.48 0.11 1.03 -1.16 0.00 0.00 179.01 179.51 2rlo h SER 121 N 0.30 1.03 0.21 1.42 0.87 -0.34 -0.05 113.55 117.00 2rlo h SER 121 Ca 0.06 -0.26 -0.11 0.00 -1.23 0.00 0.00 61.79 60.25 2rlo h SER 121 Cb 0.46 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2rlo h SER 121 CO 0.03 1.03 -0.41 1.56 -0.53 0.00 0.00 176.83 178.51 2rlo h GLN 122 N 0.99 0.27 -0.11 2.24 7.50 -0.71 -2.17 115.11 123.12 2rlo h GLN 122 Ca 0.20 -0.13 -0.18 0.00 0.50 0.00 0.00 58.65 59.04 2rlo h GLN 122 Cb 0.43 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.95 2rlo h GLN 122 CO 0.01 0.64 -0.68 0.82 -1.50 0.00 0.00 178.83 178.12 2rlo h ILE 123 N 0.22 1.35 -0.39 2.54 2.04 -0.91 -1.08 117.51 121.28 2rlo h ILE 123 Ca 0.02 -2.02 -0.13 0.00 1.00 0.00 0.00 64.86 63.73 2rlo h ILE 123 Cb 0.82 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2rlo h ILE 123 CO 0.06 0.62 -0.29 -0.07 0.00 0.00 0.00 178.15 178.47 2rlo h LEU 124 N 0.34 0.87 -0.42 1.44 4.07 -0.82 0.30 115.31 121.10 2rlo h LEU 124 Ca -0.02 -0.35 -0.12 0.00 0.08 0.00 0.00 57.88 57.47 2rlo h LEU 124 Cb 1.25 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 2rlo h LEU 124 CO 0.12 1.10 -0.57 0.00 -1.08 0.00 0.00 178.44 178.01 2rlo h ALA 125 N 0.95 0.76 0.06 1.53 0.00 -1.36 -3.24 119.26 117.97 2rlo h ALA 125 Ca 0.08 -0.52 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 2rlo h ALA 125 Cb 0.84 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2rlo h ALA 125 CO 0.07 0.72 -1.46 0.77 0.00 0.00 0.00 179.25 179.35 2rlo h SER 126 N 0.00 0.21 -0.70 0.00 0.02 -1.00 -3.32 113.55 108.77 2rlo h SER 126 Ca -0.01 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.67 2rlo h SER 126 Cb 1.26 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 2rlo h SER 126 CO 0.07 1.26 0.46 -0.07 -1.14 0.00 0.00 176.83 177.41 2rlo h LEU 127 N 0.04 0.73 -1.71 5.07 -0.00 -0.43 -3.48 115.31 115.53 2rlo h LEU 127 Ca -0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2rlo h LEU 127 Cb 1.96 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 42.45 2rlo h LEU 127 CO 0.13 0.51 0.00 0.00 -0.00 0.00 0.00 178.44 179.08