#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 3.18 -0.11 7.54 0.00 -1.26 -5.08 121.76 126.03 2rlo s ALA 2 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2rlo s ALA 2 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 2rlo s ALA 2 CO 0.00 -0.60 -0.11 0.42 0.00 0.00 0.00 175.76 175.47 2rlo s ILE 3 N -3.07 3.28 0.05 0.00 1.09 -1.26 -4.87 121.20 116.42 2rlo s ILE 3 Ca 0.53 -0.60 -0.31 0.00 -1.10 0.00 0.00 60.65 59.17 2rlo s ILE 3 Cb -0.11 -2.36 -0.07 0.00 -1.06 0.00 0.00 42.46 38.86 2rlo s ILE 3 CO 0.52 0.54 1.41 -2.84 -0.10 0.00 0.00 174.94 174.47 2rlo s PRO 4 N -0.05 4.29 0.17 2.79 0.02 -1.26 0.18 135.00 141.14 2rlo s PRO 4 Ca -0.02 2.03 0.22 0.00 0.02 0.00 0.00 61.00 63.25 2rlo s PRO 4 Cb -0.14 -3.45 -0.04 0.00 0.02 0.00 0.00 34.50 30.89 2rlo s PRO 4 CO 0.03 -0.53 0.98 -0.89 -0.33 0.00 0.00 177.00 176.26 2rlo n ILE 5 N 4.38 0.61 -3.16 2.83 -0.00 0.69 -4.87 119.36 119.85 2rlo n ILE 5 Ca 0.13 -0.56 0.06 0.00 -0.00 0.00 0.00 62.75 62.37 2rlo n ILE 5 Cb 0.43 -0.34 -0.02 0.00 -0.00 0.00 0.00 39.64 39.71 2rlo n ILE 5 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2rlo s LYS 6 N -3.34 0.10 -0.23 0.38 2.47 -0.85 -4.89 119.74 113.38 2rlo s LYS 6 Ca -0.01 0.18 -0.01 0.00 -1.56 0.00 0.00 55.97 54.57 2rlo s LYS 6 Cb 0.10 0.10 0.06 0.00 -1.46 0.00 0.00 37.83 36.63 2rlo s LYS 6 CO 0.80 -0.10 -0.01 -1.14 0.16 0.00 0.00 175.35 175.06 2rlo s GLN 7 N 2.93 1.23 0.14 4.03 0.74 -1.26 0.78 119.66 128.25 2rlo s GLN 7 Ca -0.06 -0.80 -0.10 0.00 0.05 0.00 0.00 55.36 54.45 2rlo s GLN 7 Cb -0.09 -2.40 0.04 0.00 1.10 0.00 0.00 33.01 31.66 2rlo s GLN 7 CO -0.09 -0.64 0.48 0.45 -0.55 0.00 0.00 175.29 174.94 2rlo n SER 8 N 4.81 -1.03 -4.79 6.67 2.88 -0.02 -4.98 113.62 117.15 2rlo n SER 8 Ca -0.10 -1.63 -0.38 0.00 -1.33 0.00 0.00 58.87 55.43 2rlo n SER 8 Cb 0.45 1.70 -0.06 0.00 -0.75 0.00 0.00 64.21 65.55 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 -4.65 3.81 0.12 0.66 0.08 -1.26 -0.35 117.98 116.40 2rlo s PHE 9 Ca 0.10 1.52 0.04 0.00 0.12 0.00 0.00 56.93 58.71 2rlo s PHE 9 Cb -0.02 -2.69 -0.04 0.00 -0.57 0.00 0.00 43.02 39.70 2rlo s PHE 9 CO 0.04 0.47 -0.10 -0.51 -0.10 0.00 0.00 175.22 175.02 2rlo s LEU 10 N -1.41 2.48 -0.03 -0.37 1.02 -0.31 -4.28 118.68 115.78 2rlo s LEU 10 Ca 0.37 -0.93 -0.18 0.00 0.02 0.00 0.00 54.13 53.41 2rlo s LEU 10 Cb -0.21 -0.30 -0.05 0.00 0.02 0.00 0.00 46.19 45.65 2rlo s LEU 10 CO 0.24 -0.32 0.51 -0.22 0.02 0.00 0.00 176.35 176.58 2rlo s LEU 11 N -2.85 4.40 -0.24 1.79 2.96 -0.92 0.99 118.68 124.80 2rlo s LEU 11 Ca 0.11 1.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 2rlo s LEU 11 Cb 0.01 -2.77 0.06 0.00 0.50 0.00 0.00 46.19 43.98 2rlo s LEU 11 CO -0.00 0.14 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.35 2rlo s LYS 12 N -0.26 1.83 0.29 1.98 2.47 -0.39 -1.24 119.74 124.42 2rlo s LYS 12 Ca 0.28 -1.13 -0.30 0.00 -1.56 0.00 0.00 55.97 53.26 2rlo s LYS 12 Cb -0.17 -2.70 -0.11 0.00 -1.46 0.00 0.00 37.83 33.39 2rlo s LYS 12 CO 0.14 -0.59 1.49 -0.98 0.16 0.00 0.00 175.35 175.57 2rlo s ARG 13 N 1.29 4.20 -0.47 4.03 1.70 -1.25 -1.30 118.95 127.14 2rlo s ARG 13 Ca -0.07 2.43 0.03 0.00 -0.47 0.00 0.00 55.73 57.66 2rlo s ARG 13 Cb -0.19 -3.06 0.16 0.00 -0.57 0.00 0.00 34.95 31.29 2rlo s ARG 13 CO -0.06 -0.49 0.34 -1.12 -1.08 0.00 0.00 175.30 172.90 2rlo s SER 14 N 0.27 2.67 0.00 -2.89 0.01 0.28 -4.88 113.70 109.16 2rlo s SER 14 Ca 0.59 -3.07 0.00 0.00 1.31 0.00 0.00 55.95 54.77 2rlo s SER 14 Cb -0.44 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.00 2rlo s SER 14 CO 0.48 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2rlo n GLY 15 N 2.89 -1.17 3.41 3.44 0.00 -1.26 -4.61 105.19 107.89 2rlo n GLY 15 Ca 0.22 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2rlo n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rlo s ASN 16 N -4.00 -0.40 0.00 1.61 0.02 -1.22 -4.92 114.94 106.03 2rlo s ASN 16 Ca 0.00 0.75 -0.19 0.00 -1.02 0.00 0.00 52.86 52.40 2rlo s ASN 16 Cb 0.00 -1.04 -0.30 0.00 0.02 0.00 0.00 41.25 39.93 2rlo s ASN 16 CO 0.00 -4.95 1.00 0.28 0.02 0.00 0.00 177.10 173.46 2rlo h SER 17 N -3.14 0.65 -0.40 -1.22 0.02 -2.01 -3.33 113.55 104.12 2rlo h SER 17 Ca -0.43 -0.88 -0.05 0.00 -0.84 0.00 0.00 61.79 59.59 2rlo h SER 17 Cb 1.32 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2rlo h SER 17 CO 0.29 1.47 0.05 0.25 -1.14 0.00 0.00 176.83 177.75 2rlo h LEU 18 N -0.07 0.65 -7.66 5.07 5.85 -2.07 -3.36 115.31 113.72 2rlo h LEU 18 Ca -0.16 -0.27 -0.72 0.00 0.84 0.00 0.00 57.88 57.56 2rlo h LEU 18 Cb 1.74 -0.17 -0.32 0.00 0.37 0.00 0.00 40.66 42.27 2rlo h LEU 18 CO 0.19 0.76 -0.23 0.20 -0.34 0.00 0.00 178.44 179.01 2rlo s ASN 19 N -6.10 5.70 0.53 1.25 0.02 -1.25 -5.07 114.94 110.01 2rlo s ASN 19 Ca -0.13 -2.77 -0.10 0.00 -1.02 0.00 0.00 52.86 48.84 2rlo s ASN 19 Cb 0.10 -1.96 -0.05 0.00 0.02 0.00 0.00 41.25 39.36 2rlo s ASN 19 CO 0.78 -0.44 0.91 -0.54 0.02 0.00 0.00 177.10 177.83 2rlo s LYS 20 N 0.06 3.65 -0.32 -0.60 1.02 -1.25 -3.36 119.74 118.93 2rlo s LYS 20 Ca 0.17 0.56 0.04 0.00 0.02 0.00 0.00 55.97 56.76 2rlo s LYS 20 Cb -0.18 -2.22 0.19 0.00 -0.52 0.00 0.00 37.83 35.11 2rlo s LYS 20 CO -0.05 -0.35 0.67 -2.00 -0.92 0.00 0.00 175.35 172.70 2rlo s GLU 21 N -4.73 0.55 -0.11 1.68 2.56 -1.26 -4.97 118.70 112.42 2rlo s GLU 21 Ca 0.52 0.32 -0.16 0.00 0.00 0.00 0.00 54.97 55.65 2rlo s GLU 21 Cb -0.11 0.19 -0.05 0.00 2.00 0.00 0.00 34.13 36.17 2rlo s GLU 21 CO 0.45 -0.96 0.42 -1.58 -0.56 0.00 0.00 175.26 173.04 2rlo s TRP 22 N 2.62 3.54 0.19 5.30 0.52 -1.26 0.10 118.94 129.96 2rlo s TRP 22 Ca 0.13 0.84 0.07 0.00 0.02 0.00 0.00 56.10 57.17 2rlo s TRP 22 Cb -0.07 -2.45 -0.04 0.00 -1.15 0.00 0.00 33.47 29.75 2rlo s TRP 22 CO -0.22 0.27 0.03 0.15 0.02 0.00 0.00 176.95 177.20 2rlo s LYS 23 N 0.27 2.47 0.01 4.98 1.02 -0.42 -4.69 119.74 123.38 2rlo s LYS 23 Ca 0.23 -1.12 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 2rlo s LYS 23 Cb -0.15 -2.37 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 2rlo s LYS 23 CO 0.09 0.44 1.82 0.15 -0.92 0.00 0.00 175.35 176.94 2rlo s LYS 24 N -3.11 4.16 0.34 1.68 -0.14 -1.26 -1.26 119.74 120.15 2rlo s LYS 24 Ca 0.29 2.43 0.02 0.00 -1.36 0.00 0.00 55.97 57.34 2rlo s LYS 24 Cb -0.09 -4.04 -0.01 0.00 -1.68 0.00 0.00 37.83 32.02 2rlo s LYS 24 CO 0.20 -0.89 0.06 1.63 -0.76 0.00 0.00 175.35 175.58 2rlo n LYS 25 N 7.19 0.86 -4.24 1.68 5.02 0.28 -4.55 118.16 124.40 2rlo n LYS 25 Ca 0.19 -2.69 -0.20 0.00 -2.02 0.00 0.00 58.31 53.58 2rlo n LYS 25 Cb 0.42 1.10 -0.16 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 -2.55 0.81 0.02 2.13 6.14 0.52 -1.16 117.35 123.26 2rlo s TYR 26 Ca 0.08 -0.22 0.02 0.00 0.64 0.00 0.00 57.07 57.59 2rlo s TYR 26 Cb 0.00 -0.66 -0.02 0.00 0.42 0.00 0.00 41.96 41.71 2rlo s TYR 26 CO 0.06 -0.16 -0.06 0.08 0.64 0.00 0.00 175.55 176.10 2rlo s VAL 27 N 0.67 0.44 -0.16 3.14 1.01 0.53 0.98 120.40 127.01 2rlo s VAL 27 Ca -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 2rlo s VAL 27 Cb -0.13 -0.47 0.06 0.00 0.00 0.00 0.00 36.38 35.84 2rlo s VAL 27 CO 0.01 -0.23 0.08 -0.89 0.00 0.00 0.00 175.10 174.06 2rlo s THR 28 N -0.95 0.04 -0.35 3.92 2.01 0.93 -0.84 115.64 120.40 2rlo s THR 28 Ca -0.07 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.52 2rlo s THR 28 Cb -0.07 -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 0.70 -0.22 -0.69 0.00 0.00 174.62 174.18 2rlo s LEU 29 N 2.08 4.19 0.33 4.42 1.98 0.23 -2.36 118.68 129.56 2rlo s LEU 29 Ca 0.02 0.29 0.07 0.00 -2.89 0.00 0.00 54.13 51.61 2rlo s LEU 29 Cb -0.16 -2.89 -0.02 0.00 0.66 0.00 0.00 46.19 43.78 2rlo s LEU 29 CO -0.08 -0.63 0.33 -0.55 -1.89 0.00 0.00 176.35 173.53 2rlo s SER 30 N 1.78 5.46 0.00 3.68 0.15 -1.01 0.25 113.70 124.01 2rlo s SER 30 Ca 0.27 -0.42 0.28 0.00 0.70 0.00 0.00 55.95 56.79 2rlo s SER 30 Cb -0.14 -1.05 1.69 0.00 -1.71 0.00 0.00 66.02 64.82 2rlo s SER 30 CO 0.15 -0.37 2.09 -1.54 1.20 0.00 0.00 173.24 174.77 2rlo n SER 31 N -1.44 0.00 -1.43 5.45 3.41 0.13 -3.58 113.62 116.16 2rlo n SER 31 Ca -0.02 -1.10 -0.06 0.00 -0.26 0.00 0.00 58.87 57.44 2rlo n SER 31 Cb 0.59 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.67 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 -0.95 3.35 -3.83 4.04 2.85 -1.26 -4.85 115.26 114.60 2rlo n ASN 32 Ca 0.21 -2.65 -0.29 0.00 -0.11 0.00 0.00 54.58 51.74 2rlo n ASN 32 Cb 0.10 -0.64 0.02 0.00 1.24 0.00 0.00 39.78 40.51 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 -0.06 -0.50 2.86 8.20 0.00 -1.24 -4.93 105.19 109.53 2rlo n GLY 33 Ca 0.23 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.26 0.11 -0.22 1.61 5.36 -1.26 -1.00 117.98 119.32 2rlo s PHE 34 Ca 0.64 0.01 -0.00 0.00 -0.96 0.00 0.00 56.93 56.61 2rlo s PHE 34 Cb -0.32 -0.13 0.02 0.00 -0.34 0.00 0.00 43.02 42.26 2rlo s PHE 34 CO 0.78 -0.03 -0.12 -1.17 -1.46 0.00 0.00 175.22 173.22 2rlo s LEU 35 N 0.26 2.74 0.15 6.12 2.96 -0.92 -2.39 118.68 127.61 2rlo s LEU 35 Ca -0.02 -0.77 0.08 0.00 -0.22 0.00 0.00 54.13 53.20 2rlo s LEU 35 Cb -0.04 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2rlo s LEU 35 CO -0.01 -0.07 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.09 2rlo s LEU 36 N 1.31 2.95 -0.23 -0.68 1.02 -0.99 -1.04 118.68 121.02 2rlo s LEU 36 Ca 0.02 -0.52 -0.14 0.00 0.02 0.00 0.00 54.13 53.51 2rlo s LEU 36 Cb -0.15 -1.69 0.07 0.00 0.02 0.00 0.00 46.19 44.44 2rlo s LEU 36 CO -0.08 0.14 0.57 -0.72 0.02 0.00 0.00 176.35 176.27 2rlo s TYR 37 N -1.48 -0.83 0.29 0.29 1.13 0.15 -0.05 117.35 116.85 2rlo s TYR 37 Ca 0.23 1.73 0.10 0.00 -1.41 0.00 0.00 57.07 57.72 2rlo s TYR 37 Cb -0.10 0.44 -0.05 0.00 -1.10 0.00 0.00 41.96 41.15 2rlo s TYR 37 CO 0.14 -0.43 -0.03 -1.01 -2.51 0.00 0.00 175.55 171.71 2rlo s HIS 38 N 1.36 2.57 0.32 -3.49 0.09 0.28 -1.01 115.29 115.41 2rlo s HIS 38 Ca -0.08 -0.31 0.04 0.00 -0.00 0.00 0.00 55.06 54.71 2rlo s HIS 38 Cb -0.06 -1.25 0.66 0.00 -0.00 0.00 0.00 32.58 31.93 2rlo s HIS 38 CO -0.14 0.59 1.89 -1.35 -0.00 0.00 0.00 174.74 175.73 2rlo h PRO 39 N 1.93 0.85 0.00 8.40 0.11 -1.85 0.15 132.00 141.59 2rlo h PRO 39 Ca -0.43 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2rlo h PRO 39 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2rlo h PRO 39 CO 0.62 0.56 0.06 0.43 -0.21 0.00 0.00 178.00 179.46 2rlo n SER 40 N -4.53 -1.09 -0.11 -2.05 7.64 -1.26 -3.93 113.62 108.28 2rlo n SER 40 Ca 0.15 -1.98 -0.12 0.00 1.01 0.00 0.00 58.87 57.94 2rlo n SER 40 Cb 0.32 1.88 -0.03 0.00 -1.01 0.00 0.00 64.21 65.37 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 1.57 1.28 -0.52 0.44 5.03 -1.89 -2.59 117.51 120.84 2rlo h ILE 41 Ca -0.18 -1.19 0.15 0.00 -0.12 0.00 0.00 64.86 63.53 2rlo h ILE 41 Cb 0.69 1.37 -0.02 0.00 -3.03 0.00 0.00 36.82 35.83 2rlo h ILE 41 CO 0.23 0.39 0.52 0.78 -0.68 0.00 0.00 178.15 179.39 2rlo h ASN 42 N 0.43 0.00 0.05 1.72 4.21 -1.97 0.37 115.58 120.40 2rlo h ASN 42 Ca 0.08 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.32 2rlo h ASN 42 Cb 0.62 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.85 2rlo h ASN 42 CO 0.04 0.00 -1.09 0.44 -1.29 0.00 0.00 177.43 175.53 2rlo h ASP 43 N 0.00 0.87 0.05 5.81 3.32 -1.68 -1.79 116.42 123.00 2rlo h ASP 43 Ca 0.25 -0.78 -0.00 0.00 0.02 0.00 0.00 57.03 56.52 2rlo h ASP 43 Cb 1.29 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2rlo h ASP 43 CO -0.00 1.55 -0.02 0.22 -1.72 0.00 0.00 179.24 179.26 2rlo h TYR 44 N 0.30 -0.06 0.66 4.55 3.20 -0.32 0.97 116.97 126.27 2rlo h TYR 44 Ca -0.15 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 2rlo h TYR 44 Cb 1.76 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 40.05 2rlo h TYR 44 CO 0.11 0.45 -0.40 0.82 -1.64 0.00 0.00 178.16 177.51 2rlo h ILE 45 N -0.62 0.00 0.00 1.81 2.04 -0.77 -3.08 117.51 116.89 2rlo h ILE 45 Ca -0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 2rlo h ILE 45 Cb 0.54 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 -0.30 0.45 0.00 0.00 0.00 178.15 178.31 2rlo h HIS 46 N -0.98 0.00 -3.34 1.37 3.86 -1.45 -3.48 115.15 111.12 2rlo h HIS 46 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2rlo h HIS 46 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2rlo h HIS 46 CO -0.05 0.30 -0.02 0.45 0.86 0.00 0.00 177.93 179.47 2rlo n SER 47 N -3.38 -2.85 -3.60 2.45 2.88 0.29 -5.02 113.62 104.39 2rlo n SER 47 Ca 0.01 0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 2rlo n SER 47 Cb 0.51 -1.63 -0.12 0.00 -0.75 0.00 0.00 64.21 62.21 2rlo n SER 47 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2rlo s THR 48 N -2.56 -0.43 -0.21 2.46 -4.23 0.13 -5.00 115.64 105.81 2rlo s THR 48 Ca 0.01 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.67 2rlo s THR 48 Cb -0.00 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.31 2rlo s THR 48 CO 0.11 0.03 0.07 1.41 -0.54 0.00 0.00 174.62 175.70 2rlo n HIS 49 N 5.35 -2.46 -3.40 3.99 -0.00 -1.26 -4.44 115.22 112.99 2rlo n HIS 49 Ca -0.06 1.07 -0.21 0.00 -0.00 0.00 0.00 57.72 58.52 2rlo n HIS 49 Cb 0.50 -3.09 -0.10 0.00 -0.00 0.00 0.00 29.99 27.30 2rlo n HIS 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2rlo s GLY 50 N -1.20 0.27 0.39 -1.41 0.00 -1.26 -3.74 107.32 100.38 2rlo s GLY 50 Ca 0.03 -1.22 -0.26 0.00 0.00 0.00 0.00 44.72 43.26 2rlo s GLY 50 CO 0.49 2.49 1.24 1.25 0.00 0.00 0.00 173.10 178.57 2rlo s LYS 51 N 1.41 4.08 0.18 2.90 2.20 -0.18 -4.69 119.74 125.64 2rlo s LYS 51 Ca 0.16 2.01 0.04 0.00 -0.36 0.00 0.00 55.97 57.82 2rlo s LYS 51 Cb -0.18 -2.78 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 2rlo s LYS 51 CO -0.06 -0.35 -0.06 -1.21 -0.36 0.00 0.00 175.35 173.31 2rlo s GLU 52 N -2.17 1.16 0.03 4.03 8.01 -1.26 0.31 118.70 128.80 2rlo s GLU 52 Ca 0.55 -1.53 -0.10 0.00 0.01 0.00 0.00 54.97 53.90 2rlo s GLU 52 Cb -0.35 -0.59 0.01 0.00 -4.31 0.00 0.00 34.13 28.89 2rlo s GLU 52 CO 0.45 -0.00 0.21 0.00 0.01 0.00 0.00 175.26 175.93 2rlo s MET 53 N -3.80 0.66 -0.09 1.61 0.23 -0.21 -4.96 119.30 112.74 2rlo s MET 53 Ca 0.21 -0.51 -0.28 0.00 -1.03 0.00 0.00 55.69 54.08 2rlo s MET 53 Cb 0.04 0.28 -0.02 0.00 -1.53 0.00 0.00 34.83 33.60 2rlo s MET 53 CO 0.04 -0.19 0.93 0.34 -2.03 0.00 0.00 175.02 174.11 2rlo s ASP 54 N -1.84 7.19 -0.15 -1.18 -1.08 -1.26 -2.17 116.67 116.18 2rlo s ASP 54 Ca -0.08 1.45 0.06 0.00 -0.52 0.00 0.00 52.55 53.46 2rlo s ASP 54 Cb -0.03 -2.52 0.40 0.00 -1.46 0.00 0.00 42.92 39.31 2rlo s ASP 54 CO -0.02 -0.35 1.22 0.18 0.52 0.00 0.00 175.17 176.73 2rlo n LEU 55 N 4.62 3.80 -0.05 -1.34 4.77 -0.17 -4.31 117.00 124.32 2rlo n LEU 55 Ca 0.06 -1.95 -0.01 0.00 -0.03 0.00 0.00 56.01 54.08 2rlo n LEU 55 Cb 0.50 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2rlo n LEU 55 CO 0.51 0.53 -0.09 0.25 -1.33 0.00 0.00 177.39 177.25 2rlo h LEU 56 N 1.76 0.00 -4.98 2.23 6.46 -1.85 -3.19 115.31 115.73 2rlo h LEU 56 Ca 0.09 0.00 -0.69 0.00 -0.12 0.00 0.00 57.88 57.15 2rlo h LEU 56 Cb 1.44 0.00 -0.34 0.00 -0.73 0.00 0.00 40.66 41.03 2rlo h LEU 56 CO 0.33 0.49 0.28 0.54 -0.62 0.00 0.00 178.44 179.46 2rlo n ARG 57 N -4.30 3.32 -3.90 1.25 1.74 -1.26 -4.65 116.66 108.86 2rlo n ARG 57 Ca -0.02 -4.10 -0.21 0.00 -0.77 0.00 0.00 57.85 52.75 2rlo n ARG 57 Cb 0.07 -2.28 -0.03 0.00 -1.02 0.00 0.00 32.46 29.20 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 -5.12 4.45 0.19 0.55 -4.23 -1.26 -3.79 115.64 106.42 2rlo s THR 58 Ca 0.49 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 2rlo s THR 58 Cb 0.39 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 2rlo s THR 58 CO -0.28 -0.28 0.06 -0.89 -0.54 0.00 0.00 174.62 172.69 2rlo s THR 59 N -2.13 0.41 -0.06 3.99 2.01 0.29 -4.96 115.64 115.20 2rlo s THR 59 Ca 0.37 -1.97 0.03 0.00 0.31 0.00 0.00 61.69 60.43 2rlo s THR 59 Cb -0.08 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2rlo s THR 59 CO 0.28 -0.29 -0.16 0.68 -0.69 0.00 0.00 174.62 174.44 2rlo s VAL 60 N -3.85 1.35 0.31 3.82 -7.23 -1.26 -0.28 120.40 113.26 2rlo s VAL 60 Ca 0.30 -0.64 0.09 0.00 -1.81 0.00 0.00 61.98 59.92 2rlo s VAL 60 Cb 0.07 -1.19 -0.06 0.00 0.56 0.00 0.00 36.38 35.76 2rlo s VAL 60 CO 0.07 0.40 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.60 2rlo s LYS 61 N 0.32 1.72 -0.27 4.82 1.02 -0.87 -4.91 119.74 121.57 2rlo s LYS 61 Ca -0.10 -1.86 -0.01 0.00 0.02 0.00 0.00 55.97 54.02 2rlo s LYS 61 Cb -0.14 -1.60 0.13 0.00 -0.52 0.00 0.00 37.83 35.70 2rlo s LYS 61 CO 0.03 0.17 0.30 0.08 -0.92 0.00 0.00 175.35 175.01 2rlo s VAL 62 N -2.67 -0.42 -0.10 3.17 1.01 -1.26 0.15 120.40 120.27 2rlo s VAL 62 Ca 0.31 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 2rlo s VAL 62 Cb 0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2rlo s VAL 62 CO 0.15 -0.38 0.72 -2.16 0.00 0.00 0.00 175.10 173.43 2rlo s PRO 63 N 2.38 4.38 0.00 2.72 0.04 -1.26 -3.90 135.00 139.36 2rlo s PRO 63 Ca 0.09 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2rlo s PRO 63 Cb -0.14 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2rlo s PRO 63 CO -0.28 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2rlo n GLY 64 N 3.27 3.06 3.25 0.56 0.00 -1.26 -5.00 105.19 109.07 2rlo n GLY 64 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2rlo n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rlo s LYS 65 N -0.29 1.28 0.73 1.61 3.01 -1.25 -5.17 119.74 119.65 2rlo s LYS 65 Ca 0.00 -1.68 -0.09 0.00 -1.01 0.00 0.00 55.97 53.19 2rlo s LYS 65 Cb 0.00 0.03 0.06 0.00 -1.01 0.00 0.00 37.83 36.91 2rlo s LYS 65 CO 0.00 -0.34 1.06 1.03 0.51 0.00 0.00 175.35 177.61 2rlo s ARG 66 N -4.10 2.25 0.12 1.68 3.00 -1.26 -4.68 118.95 115.96 2rlo s ARG 66 Ca 0.38 -0.06 -0.35 0.00 0.00 0.00 0.00 55.73 55.70 2rlo s ARG 66 Cb 0.07 -2.10 -0.15 0.00 0.00 0.00 0.00 34.95 32.77 2rlo s ARG 66 CO 0.12 -1.28 1.48 -2.30 0.00 0.00 0.00 175.30 173.32 2rlo n PRO 67 N -3.02 1.70 -1.63 3.54 -0.02 -1.26 -4.78 135.00 129.53 2rlo n PRO 67 Ca 0.08 0.61 -0.15 0.00 -2.02 0.00 0.00 63.50 62.02 2rlo n PRO 67 Cb 0.60 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 2rlo n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2rlo s PRO 68 N 0.81 1.42 0.06 0.52 0.04 -1.26 -4.64 135.00 131.95 2rlo s PRO 68 Ca 0.82 -0.12 -0.05 0.00 0.04 0.00 0.00 61.00 61.69 2rlo s PRO 68 Cb -0.80 -4.92 -0.02 0.00 0.04 0.00 0.00 34.50 28.80 2rlo s PRO 68 CO 0.42 -5.00 0.09 1.03 0.04 0.00 0.00 177.00 173.59 2rlo s ARG 69 N 8.49 0.68 0.29 4.56 0.52 -1.26 -5.01 118.95 127.22 2rlo s ARG 69 Ca 0.85 -0.97 0.11 0.00 -0.52 0.00 0.00 55.73 55.20 2rlo s ARG 69 Cb -0.08 0.26 0.42 0.00 0.52 0.00 0.00 34.95 36.07 2rlo s ARG 69 CO 0.13 -0.18 1.64 0.00 0.02 0.00 0.00 175.30 176.92 2rlo h ALA 70 N 3.19 1.02 0.00 2.13 0.00 -2.04 -3.07 119.26 120.48 2rlo h ALA 70 Ca -0.33 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 53.84 2rlo h ALA 70 Cb 1.18 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2rlo h ALA 70 CO 0.57 0.72 -1.00 0.82 0.00 0.00 0.00 179.25 180.37 2rlo h ILE 71 N 0.00 1.66 -3.40 0.00 2.04 -1.96 -3.50 117.51 112.35 2rlo h ILE 71 Ca -0.01 -3.36 0.00 0.00 1.00 0.00 0.00 64.86 62.49 2rlo h ILE 71 Cb 1.04 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 2rlo h ILE 71 CO 0.07 0.95 -0.87 -1.20 0.00 0.00 0.00 178.15 177.11 2rlo n SER 72 N -3.34 -7.78 -1.27 1.72 7.64 -1.16 -4.65 113.62 104.78 2rlo n SER 72 Ca -0.00 1.54 0.05 0.00 1.01 0.00 0.00 58.87 61.47 2rlo n SER 72 Cb 0.93 -4.47 0.25 0.00 -1.01 0.00 0.00 64.21 59.91 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 -2.03 3.16 -3.60 -0.43 0.00 -1.26 -4.85 120.51 111.50 2rlo n ALA 73 Ca 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 53.44 52.17 2rlo n ALA 73 Cb 0.31 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.95 -0.76 0.00 0.00 0.08 -1.26 -5.06 117.98 109.03 2rlo s PHE 74 Ca 0.34 1.86 0.00 0.00 0.12 0.00 0.00 56.93 59.25 2rlo s PHE 74 Cb 0.24 0.26 0.00 0.00 -0.57 0.00 0.00 43.02 42.95 2rlo s PHE 74 CO 0.13 -0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.29 2rlo n GLY 75 N 2.71 -1.62 0.11 4.36 0.00 -1.26 -5.03 105.19 104.47 2rlo n GLY 75 Ca -0.14 0.75 -0.05 0.00 0.00 0.00 0.00 46.02 46.59 2rlo n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rlo h PRO 76 N 0.00 0.06 -6.24 1.61 0.13 -2.02 -3.45 132.00 122.09 2rlo h PRO 76 Ca 0.00 -0.06 -0.60 0.00 -0.87 0.00 0.00 66.00 64.47 2rlo h PRO 76 Cb 0.00 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 30.99 2rlo h PRO 76 CO 0.00 0.82 -0.78 -1.12 -0.23 0.00 0.00 178.00 176.69 2rlo s SER 77 N -6.83 3.39 -0.01 1.44 0.01 -1.26 -5.05 113.70 105.39 2rlo s SER 77 Ca -0.01 -0.97 0.08 0.00 1.31 0.00 0.00 55.95 56.36 2rlo s SER 77 Cb 0.11 -0.26 -0.23 0.00 0.21 0.00 0.00 66.02 65.85 2rlo s SER 77 CO 0.80 0.04 0.80 0.00 0.41 0.00 0.00 173.24 175.28 2rlo h ALA 78 N 2.61 0.61 -2.24 1.44 0.00 -2.04 -3.41 119.26 116.23 2rlo h ALA 78 Ca -0.42 -1.31 -0.58 0.00 0.00 0.00 0.00 54.91 52.61 2rlo h ALA 78 Cb 1.24 0.34 -0.38 0.00 0.00 0.00 0.00 17.79 18.99 2rlo h ALA 78 CO 0.56 1.45 -1.02 0.45 0.00 0.00 0.00 179.25 180.70 2rlo n SER 79 N -3.18 -0.31 -4.56 0.00 2.88 -1.26 -5.08 113.62 102.10 2rlo n SER 79 Ca -0.14 -2.47 -0.41 0.00 -1.33 0.00 0.00 58.87 54.51 2rlo n SER 79 Cb 1.03 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 2rlo n SER 79 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2rlo s GLY 80 N -0.32 0.96 1.29 0.46 0.00 -1.26 -5.01 107.32 103.44 2rlo s GLY 80 Ca 0.34 -1.11 -0.20 0.00 0.00 0.00 0.00 44.72 43.75 2rlo s GLY 80 CO -0.17 2.63 1.02 -0.45 0.00 0.00 0.00 173.10 176.12 2rlo s SER 81 N 3.60 0.08 0.62 1.64 0.15 -1.26 -4.87 113.70 113.67 2rlo s SER 81 Ca 0.40 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2rlo s SER 81 Cb -0.08 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2rlo s SER 81 CO 0.20 -4.66 0.00 0.00 1.20 0.00 0.00 173.24 169.97 2rlo n ALA 82 N -5.16 -3.34 0.00 5.45 0.00 -1.26 -5.01 120.51 111.20 2rlo n ALA 82 Ca 0.11 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.39 2rlo n ALA 82 Cb 0.59 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2rlo n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rlo n GLY 83 N -3.91 2.61 2.75 0.00 0.00 -1.26 -5.03 105.19 100.36 2rlo n GLY 83 Ca -0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 2rlo n GLY 83 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rlo n GLN 84 N 0.00 -3.14 -4.25 1.61 7.27 -1.26 -5.07 117.38 112.54 2rlo n GLN 84 Ca 0.00 2.58 -0.15 0.00 0.07 0.00 0.00 57.00 59.50 2rlo n GLN 84 Cb 0.00 -5.47 -0.10 0.00 2.41 0.00 0.00 30.24 27.08 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 -1.94 1.46 -0.35 1.69 0.00 -1.26 -5.13 121.76 116.23 2rlo s ALA 85 Ca 0.08 -1.78 -0.21 0.00 0.00 0.00 0.00 51.96 50.05 2rlo s ALA 85 Cb -0.02 1.30 0.00 0.00 0.00 0.00 0.00 23.12 24.40 2rlo s ALA 85 CO 0.78 -0.56 0.67 -1.21 0.00 0.00 0.00 175.76 175.44 2rlo s GLU 86 N -4.02 3.73 0.59 0.00 2.02 -1.26 -4.92 118.70 114.84 2rlo s GLU 86 Ca 0.38 0.15 0.29 0.00 0.02 0.00 0.00 54.97 55.82 2rlo s GLU 86 Cb 0.06 -3.80 1.77 0.00 0.10 0.00 0.00 34.13 32.27 2rlo s GLU 86 CO 0.15 -0.74 2.22 1.49 0.02 0.00 0.00 175.26 178.39 2rlo h GLU 87 N 8.42 0.00 -2.50 1.61 4.81 -2.06 -3.07 114.58 121.80 2rlo h GLU 87 Ca -0.26 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.26 2rlo h GLU 87 Cb 1.11 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.14 2rlo h GLU 87 CO 0.85 0.00 0.16 0.39 -0.73 0.00 0.00 179.01 179.68 2rlo n GLU 88 N -3.85 3.76 -3.77 1.92 1.02 -1.26 -4.96 120.64 113.51 2rlo n GLU 88 Ca -0.02 -4.65 -0.29 0.00 -0.02 0.00 0.00 57.16 52.18 2rlo n GLU 88 Cb 0.14 -2.38 -0.15 0.00 -0.02 0.00 0.00 31.44 29.02 2rlo n GLU 88 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2rlo s ASN 89 N -2.19 3.77 -0.18 1.62 -0.87 -1.16 -5.10 114.94 110.82 2rlo s ASN 89 Ca 0.37 -1.41 0.01 0.00 -1.57 0.00 0.00 52.86 50.27 2rlo s ASN 89 Cb 0.13 -0.86 0.03 0.00 -0.02 0.00 0.00 41.25 40.53 2rlo s ASN 89 CO 0.01 -0.37 -0.16 0.72 -2.57 0.00 0.00 177.10 174.74 2rlo s PHE 90 N 1.63 2.61 -0.10 2.20 -0.71 -1.26 -5.09 117.98 117.26 2rlo s PHE 90 Ca 0.05 -1.61 -0.06 0.00 -1.04 0.00 0.00 56.93 54.28 2rlo s PHE 90 Cb -0.17 -1.79 0.04 0.00 -1.21 0.00 0.00 43.02 39.89 2rlo s PHE 90 CO -0.18 -0.77 0.25 -1.21 -1.34 0.00 0.00 175.22 171.96 2rlo s GLU 91 N 1.34 0.22 0.01 1.99 8.01 -1.26 -3.49 118.70 125.51 2rlo s GLU 91 Ca 0.02 0.50 0.04 0.00 0.01 0.00 0.00 54.97 55.55 2rlo s GLU 91 Cb -0.14 -0.08 -0.02 0.00 -4.31 0.00 0.00 34.13 29.58 2rlo s GLU 91 CO -0.11 -0.14 -0.13 -0.59 0.01 0.00 0.00 175.26 174.30 2rlo s PHE 92 N 1.08 1.18 0.08 1.61 -0.71 -0.79 -4.73 117.98 115.71 2rlo s PHE 92 Ca -0.08 -0.29 0.03 0.00 -1.04 0.00 0.00 56.93 55.56 2rlo s PHE 92 Cb -0.09 -0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 40.95 2rlo s PHE 92 CO -0.07 0.01 0.09 -0.51 -1.34 0.00 0.00 175.22 173.40 2rlo s LEU 93 N -0.72 3.84 -0.21 -1.99 1.43 0.12 -1.92 118.68 119.23 2rlo s LEU 93 Ca 0.03 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2rlo s LEU 93 Cb -0.06 -2.51 0.05 0.00 0.03 0.00 0.00 46.19 43.69 2rlo s LEU 93 CO 0.00 0.17 -0.08 -0.63 0.23 0.00 0.00 176.35 176.04 2rlo s ILE 94 N -1.42 1.57 -0.19 -0.59 -1.09 0.04 -2.04 121.20 117.48 2rlo s ILE 94 Ca 0.30 -1.09 -0.07 0.00 -2.23 0.00 0.00 60.65 57.55 2rlo s ILE 94 Cb -0.12 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.98 2rlo s ILE 94 CO 0.22 0.04 0.06 -0.69 -1.23 0.00 0.00 174.94 173.34 2rlo s VAL 95 N 1.40 4.74 0.30 2.92 1.01 0.62 0.24 120.40 131.64 2rlo s VAL 95 Ca -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2rlo s VAL 95 Cb -0.17 -3.14 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2rlo s VAL 95 CO -0.07 0.45 0.41 -1.54 0.00 0.00 0.00 175.10 174.35 2rlo n SER 96 N 3.62 0.64 0.19 3.32 3.41 0.99 -0.55 113.62 125.25 2rlo n SER 96 Ca -0.17 -1.52 0.09 0.00 -0.26 0.00 0.00 58.87 57.01 2rlo n SER 96 Cb 0.52 -0.26 0.12 0.00 -0.26 0.00 0.00 64.21 64.33 2rlo n SER 96 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2rlo h SER 97 N -0.19 0.00 -0.68 4.04 4.64 -1.85 -3.20 113.55 116.31 2rlo h SER 97 Ca -0.14 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.99 2rlo h SER 97 Cb 0.52 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.50 2rlo h SER 97 CO 0.15 0.17 0.25 1.07 -0.87 0.00 0.00 176.83 177.60 2rlo n THR 98 N -3.13 2.70 -0.17 2.95 5.66 -1.26 -4.88 114.28 116.14 2rlo n THR 98 Ca 0.03 -1.45 0.00 0.00 -3.05 0.00 0.00 64.05 59.58 2rlo n THR 98 Cb 0.60 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 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 -0.08 2.21 3.65 1.09 0.00 -1.21 -4.96 105.19 105.90 2rlo n GLY 99 Ca 0.37 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.95 2rlo n GLY 99 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rlo n GLN 100 N -2.00 2.56 -3.96 1.61 -0.06 -1.26 -4.68 117.38 109.58 2rlo n GLN 100 Ca 0.00 0.92 -0.34 0.00 -2.00 0.00 0.00 57.00 55.57 2rlo n GLN 100 Cb 0.00 -2.94 -0.14 0.00 -4.06 0.00 0.00 30.24 23.10 2rlo n GLN 100 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2rlo s THR 101 N 4.91 2.84 -0.46 1.69 2.01 -1.26 -0.01 115.64 125.37 2rlo s THR 101 Ca 0.92 -1.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 2rlo s THR 101 Cb -0.49 -2.46 0.07 0.00 0.01 0.00 0.00 72.50 69.63 2rlo s THR 101 CO 0.44 0.18 0.37 0.26 -0.69 0.00 0.00 174.62 175.17 2rlo s TRP 102 N 1.31 3.26 -0.33 4.92 0.52 0.14 -4.89 118.94 123.87 2rlo s TRP 102 Ca -0.00 -0.99 -0.18 0.00 0.02 0.00 0.00 56.10 54.95 2rlo s TRP 102 Cb -0.17 -3.09 -0.01 0.00 -1.15 0.00 0.00 33.47 29.05 2rlo s TRP 102 CO -0.04 -0.79 0.49 -1.58 0.02 0.00 0.00 176.95 175.05 2rlo s HIS 103 N 1.61 3.20 0.24 -1.98 2.46 -1.26 -0.78 115.29 118.78 2rlo s HIS 103 Ca 0.04 0.26 0.10 0.00 0.47 0.00 0.00 55.06 55.93 2rlo s HIS 103 Cb -0.24 -2.85 -0.05 0.00 -0.13 0.00 0.00 32.58 29.31 2rlo s HIS 103 CO 0.06 -0.47 -0.19 -0.06 -2.47 0.00 0.00 174.74 171.62 2rlo s PHE 104 N 2.34 2.07 -0.28 3.88 0.08 -0.81 -4.13 117.98 121.13 2rlo s PHE 104 Ca 0.18 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.82 2rlo s PHE 104 Cb -0.16 -0.94 0.08 0.00 -0.57 0.00 0.00 43.02 41.44 2rlo s PHE 104 CO 0.12 0.55 0.03 -2.00 -0.10 0.00 0.00 175.22 173.82 2rlo s GLU 105 N -3.39 1.20 0.13 0.44 2.12 -0.37 -1.88 118.70 116.95 2rlo s GLU 105 Ca 0.25 -1.13 -0.35 0.00 0.36 0.00 0.00 54.97 54.10 2rlo s GLU 105 Cb -0.04 -2.47 -0.15 0.00 0.26 0.00 0.00 34.13 31.73 2rlo s GLU 105 CO 0.11 -0.80 1.47 0.00 -0.54 0.00 0.00 175.26 175.50 2rlo n ALA 106 N 4.68 0.29 -0.02 6.30 0.00 -1.23 -2.18 120.51 128.37 2rlo n ALA 106 Ca -0.05 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.80 2rlo n ALA 106 Cb 0.43 -2.23 0.12 0.00 0.00 0.00 0.00 19.45 17.78 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 5.31 0.90 -3.43 0.00 0.00 -1.93 -3.44 119.26 116.67 2rlo h ALA 107 Ca -0.46 -0.41 -0.66 0.00 0.00 0.00 0.00 54.91 53.38 2rlo h ALA 107 Cb 1.29 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2rlo h ALA 107 CO 0.84 0.63 -0.67 0.45 0.00 0.00 0.00 179.25 180.49 2rlo s SER 108 N -6.83 4.90 0.31 0.00 0.15 -1.26 -5.02 113.70 105.95 2rlo s SER 108 Ca -0.08 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.45 2rlo s SER 108 Cb 0.13 -1.16 0.52 0.00 -1.71 0.00 0.00 66.02 63.80 2rlo s SER 108 CO 0.82 0.22 1.80 0.15 1.20 0.00 0.00 173.24 177.43 2rlo h PHE 109 N 3.85 0.50 -0.03 3.44 3.04 -2.00 -2.17 116.94 123.56 2rlo h PHE 109 Ca -0.48 -0.08 -0.17 0.00 3.98 0.00 0.00 57.97 61.22 2rlo h PHE 109 Cb 1.17 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 2rlo h PHE 109 CO 0.60 0.60 -0.74 1.49 -2.02 0.00 0.00 178.31 178.24 2rlo h GLU 110 N 0.42 0.21 -0.19 1.11 4.22 -1.97 -3.22 114.58 115.17 2rlo h GLU 110 Ca 0.08 -0.19 -0.14 0.00 0.08 0.00 0.00 59.36 59.19 2rlo h GLU 110 Cb 0.52 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2rlo h GLU 110 CO 0.03 0.86 -0.49 1.49 -2.18 0.00 0.00 179.01 178.72 2rlo h GLU 111 N 0.14 0.50 -1.00 1.92 4.57 -1.88 -2.51 114.58 116.32 2rlo h GLU 111 Ca -0.02 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 57.95 2rlo h GLU 111 Cb 1.31 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.85 2rlo h GLU 111 CO 0.11 0.88 0.64 0.07 -1.18 0.00 0.00 179.01 179.54 2rlo h ARG 112 N 0.40 1.10 -0.01 1.92 -0.00 -1.41 0.17 114.38 116.55 2rlo h ARG 112 Ca 0.02 -0.07 -0.03 0.00 -0.00 0.00 0.00 59.98 59.90 2rlo h ARG 112 Cb 1.00 -0.25 0.00 0.00 -0.00 0.00 0.00 29.97 30.73 2rlo h ARG 112 CO 0.09 0.73 -0.13 0.22 -0.00 0.00 0.00 179.97 180.88 2rlo h ASP 113 N 1.13 0.13 -0.22 0.08 3.58 -1.64 -2.35 116.42 117.13 2rlo h ASP 113 Ca 0.45 -0.74 0.06 0.00 0.42 0.00 0.00 57.03 57.22 2rlo h ASP 113 Cb 0.25 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 2rlo h ASP 113 CO -0.20 0.85 -0.19 0.00 -2.88 0.00 0.00 179.24 176.82 2rlo h ALA 114 N 0.29 -0.05 0.15 -0.78 0.00 -1.07 0.31 119.26 118.11 2rlo h ALA 114 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2rlo h ALA 114 Cb 0.86 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2rlo h ALA 114 CO 0.03 -0.62 -0.19 -1.49 0.00 0.00 0.00 179.25 176.98 2rlo h TRP 115 N -0.20 -0.49 -0.73 0.00 4.06 -0.77 1.19 115.95 119.01 2rlo h TRP 115 Ca 0.13 0.01 0.13 0.00 2.06 0.00 0.00 58.89 61.22 2rlo h TRP 115 Cb 0.39 0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.70 2rlo h TRP 115 CO -0.35 -0.28 0.49 0.28 -3.56 0.00 0.00 178.44 175.02 2rlo h VAL 116 N -0.39 0.83 0.00 1.49 2.07 -0.90 0.30 116.25 119.66 2rlo h VAL 116 Ca 0.01 -0.16 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 2rlo h VAL 116 Cb 0.38 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2rlo h VAL 116 CO -0.07 0.08 -0.92 -0.61 0.02 0.00 0.00 177.57 176.07 2rlo h GLN 117 N 0.45 0.00 -0.14 1.57 4.15 0.67 -2.44 115.11 119.37 2rlo h GLN 117 Ca 0.35 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.74 2rlo h GLN 117 Cb 0.74 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.42 2rlo h GLN 117 CO -0.11 0.92 -0.05 0.00 -1.93 0.00 0.00 178.83 177.66 2rlo h ALA 118 N 1.08 0.20 -0.09 3.38 0.00 0.48 0.60 119.26 124.91 2rlo h ALA 118 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2rlo h ALA 118 Cb 1.70 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 2rlo h ALA 118 CO 0.12 -0.03 0.01 0.82 0.00 0.00 0.00 179.25 180.16 2rlo h ILE 119 N -0.04 1.24 -0.19 0.00 5.03 -0.86 -0.06 117.51 122.63 2rlo h ILE 119 Ca 0.03 -0.75 -0.07 0.00 -0.12 0.00 0.00 64.86 63.96 2rlo h ILE 119 Cb 0.49 1.56 -0.01 0.00 -3.03 0.00 0.00 36.82 35.83 2rlo h ILE 119 CO 0.02 0.21 -0.17 -0.33 -0.68 0.00 0.00 178.15 177.20 2rlo h GLU 120 N -0.10 0.32 -0.36 2.37 4.39 -1.44 -1.72 114.58 118.03 2rlo h GLU 120 Ca 0.03 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 2rlo h GLU 120 Cb 0.33 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2rlo h GLU 120 CO 0.00 0.49 -0.27 0.66 -1.16 0.00 0.00 179.01 178.73 2rlo h SER 121 N 0.30 0.86 0.20 1.42 4.64 0.43 -1.45 113.55 119.96 2rlo h SER 121 Ca 0.05 -0.44 -0.07 0.00 -0.47 0.00 0.00 61.79 60.87 2rlo h SER 121 Cb 0.48 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2rlo h SER 121 CO 0.03 1.12 -0.27 1.56 -0.87 0.00 0.00 176.83 178.40 2rlo h GLN 122 N 0.61 0.12 -0.14 4.77 1.08 -0.69 -1.74 115.11 119.11 2rlo h GLN 122 Ca 0.07 -0.04 -0.21 0.00 -1.45 0.00 0.00 58.65 57.03 2rlo h GLN 122 Cb 0.84 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 2rlo h GLN 122 CO 0.07 0.38 -0.74 0.82 -0.95 0.00 0.00 178.83 178.42 2rlo h ILE 123 N 0.11 1.31 -0.26 2.54 2.04 -1.09 -1.48 117.51 120.68 2rlo h ILE 123 Ca 0.02 -2.00 -0.12 0.00 1.00 0.00 0.00 64.86 63.76 2rlo h ILE 123 Cb 0.54 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2rlo h ILE 123 CO 0.04 0.62 -0.34 0.25 0.00 0.00 0.00 178.15 178.72 2rlo h LEU 124 N 0.47 0.58 -0.34 1.44 6.46 -0.93 -0.38 115.31 122.60 2rlo h LEU 124 Ca -0.04 -0.23 -0.18 0.00 -0.12 0.00 0.00 57.88 57.31 2rlo h LEU 124 Cb 1.35 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.10 2rlo h LEU 124 CO 0.15 0.88 -0.83 0.00 -0.62 0.00 0.00 178.44 178.01 2rlo h ALA 125 N 1.16 0.62 0.02 1.25 0.00 -1.31 -3.17 119.26 117.83 2rlo h ALA 125 Ca 0.05 -0.74 -0.21 0.00 0.00 0.00 0.00 54.91 54.01 2rlo h ALA 125 Cb 0.82 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2rlo h ALA 125 CO 0.07 1.01 -0.98 1.03 0.00 0.00 0.00 179.25 180.37 2rlo h SER 126 N 0.02 0.12 0.25 0.00 0.87 -1.08 -3.21 113.55 110.52 2rlo h SER 126 Ca -0.02 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 2rlo h SER 126 Cb 1.46 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 2rlo h SER 126 CO 0.11 1.02 -0.29 -0.07 -0.53 0.00 0.00 176.83 177.08 2rlo h LEU 127 N 0.03 0.07 0.00 2.23 -0.00 -1.07 -3.48 115.31 113.08 2rlo h LEU 127 Ca -0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2rlo h LEU 127 Cb 1.69 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.33 2rlo h LEU 127 CO 0.14 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.94