#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rlo s ALA 2 N 0.00 2.23 -0.04 7.54 0.00 -1.26 -4.97 121.76 125.27 2rlo s ALA 2 Ca 0.00 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.69 2rlo s ALA 2 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2rlo s ALA 2 CO 0.00 0.52 -0.19 0.42 0.00 0.00 0.00 175.76 176.51 2rlo s ILE 3 N -0.91 1.57 0.09 0.00 1.01 -1.26 -4.91 121.20 116.80 2rlo s ILE 3 Ca 0.12 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.65 2rlo s ILE 3 Cb -0.10 -1.33 -0.08 0.00 0.01 0.00 0.00 42.46 40.96 2rlo s ILE 3 CO 0.03 0.45 1.57 -2.16 0.00 0.00 0.00 174.94 174.83 2rlo s PRO 4 N -0.11 4.23 0.19 2.79 0.04 -1.26 -0.38 135.00 140.50 2rlo s PRO 4 Ca -0.01 2.26 0.22 0.00 0.04 0.00 0.00 61.00 63.51 2rlo s PRO 4 Cb -0.11 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 2rlo s PRO 4 CO 0.02 -0.64 1.02 -0.89 0.04 0.00 0.00 177.00 176.55 2rlo n ILE 5 N 4.41 0.68 0.00 0.56 2.08 0.85 -4.88 119.36 123.06 2rlo n ILE 5 Ca 0.14 -0.56 0.00 0.00 0.56 0.00 0.00 62.75 62.89 2rlo n ILE 5 Cb 0.41 -0.38 0.00 0.00 -0.75 0.00 0.00 39.64 38.92 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 -3.82 0.38 3.00 -0.81 -4.87 118.16 109.34 2rlo n LYS 6 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.02 2rlo n LYS 6 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.44 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 1.07 0.10 1.64 -2.07 -1.26 0.88 119.66 120.01 2rlo s GLN 7 Ca 0.00 -0.56 -0.11 0.00 -1.82 0.00 0.00 55.36 52.87 2rlo s GLN 7 Cb 0.00 -2.15 0.04 0.00 -1.09 0.00 0.00 33.01 29.81 2rlo s GLN 7 CO 0.00 -0.57 0.53 0.43 -1.32 0.00 0.00 175.29 174.37 2rlo n SER 8 N 4.92 -0.90 -4.72 12.60 7.64 -0.03 -4.98 113.62 128.16 2rlo n SER 8 Ca -0.10 -1.47 -0.42 0.00 1.01 0.00 0.00 58.87 57.89 2rlo n SER 8 Cb 0.47 1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 65.09 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 -4.00 3.70 0.06 1.43 0.08 -1.26 -0.88 117.98 117.12 2rlo s PHE 9 Ca 0.12 1.71 0.07 0.00 0.12 0.00 0.00 56.93 58.94 2rlo s PHE 9 Cb -0.01 -3.12 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 2rlo s PHE 9 CO 0.03 -0.04 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.41 2rlo s LEU 10 N 0.52 2.21 0.11 -0.37 1.02 -0.61 -4.28 118.68 117.28 2rlo s LEU 10 Ca 0.50 -0.56 -0.28 0.00 0.02 0.00 0.00 54.13 53.82 2rlo s LEU 10 Cb -0.23 -0.82 -0.06 0.00 0.02 0.00 0.00 46.19 45.10 2rlo s LEU 10 CO 0.29 0.08 0.88 -0.76 0.02 0.00 0.00 176.35 176.86 2rlo s LEU 11 N -1.41 4.51 -0.17 1.79 1.02 -0.94 0.83 118.68 124.31 2rlo s LEU 11 Ca 0.05 1.69 -0.01 0.00 0.02 0.00 0.00 54.13 55.88 2rlo s LEU 11 Cb -0.09 -3.45 0.04 0.00 0.02 0.00 0.00 46.19 42.71 2rlo s LEU 11 CO 0.02 0.02 -0.05 -0.75 0.02 0.00 0.00 176.35 175.61 2rlo s LYS 12 N -0.28 1.40 0.55 1.70 2.36 -0.69 -0.76 119.74 124.02 2rlo s LYS 12 Ca 0.42 -0.53 -0.20 0.00 -2.55 0.00 0.00 55.97 53.12 2rlo s LYS 12 Cb -0.23 -2.02 -0.07 0.00 -1.05 0.00 0.00 37.83 34.46 2rlo s LYS 12 CO 0.28 -0.45 0.89 2.89 1.55 0.00 0.00 175.35 180.51 2rlo n ARG 13 N 4.88 0.94 -0.04 4.03 1.85 -1.26 -1.19 116.66 125.88 2rlo n ARG 13 Ca -0.12 0.36 -0.09 0.00 -1.00 0.00 0.00 57.85 57.00 2rlo n ARG 13 Cb 0.48 -2.04 -0.03 0.00 -1.05 0.00 0.00 32.46 29.82 2rlo n ARG 13 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2rlo n SER 14 N -0.16 0.85 -1.61 2.89 3.41 0.24 -4.84 113.62 114.39 2rlo n SER 14 Ca 0.12 0.14 -0.01 0.00 -0.26 0.00 0.00 58.87 58.86 2rlo n SER 14 Cb 0.45 -0.33 0.01 0.00 -0.26 0.00 0.00 64.21 64.07 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 2.47 1.30 1.58 5.00 0.00 -1.26 -5.02 105.19 109.26 2rlo n GLY 15 Ca -0.16 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.90 -8.20 -0.07 1.61 4.13 -1.26 -3.48 115.26 107.09 2rlo n ASN 16 Ca -0.01 1.13 -0.07 0.00 1.68 0.00 0.00 54.58 57.30 2rlo n ASN 16 Cb 0.17 -4.09 -0.04 0.00 -1.54 0.00 0.00 39.78 34.28 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 2.65 0.00 0.68 6.41 4.64 -2.01 -3.25 113.55 122.67 2rlo h SER 17 Ca 0.00 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 2rlo h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2rlo h SER 17 CO 0.00 0.85 -0.37 -0.07 -0.87 0.00 0.00 176.83 176.36 2rlo h LEU 18 N -1.00 -0.91 -7.17 5.97 3.38 -2.09 -3.31 115.31 110.19 2rlo h LEU 18 Ca -0.06 0.04 -0.73 0.00 0.09 0.00 0.00 57.88 57.22 2rlo h LEU 18 Cb 0.57 0.25 -0.33 0.00 0.09 0.00 0.00 40.66 41.24 2rlo h LEU 18 CO -0.04 -0.60 0.14 -3.20 0.09 0.00 0.00 178.44 174.83 2rlo n ASN 19 N -5.52 4.86 -3.31 -0.43 5.15 -1.26 -5.06 115.26 109.68 2rlo n ASN 19 Ca -0.13 -3.20 -0.14 0.00 -0.60 0.00 0.00 54.58 50.51 2rlo n ASN 19 Cb 0.41 -1.12 0.13 0.00 -0.53 0.00 0.00 39.78 38.67 2rlo n ASN 19 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2rlo n LYS 20 N 2.03 -1.79 -3.14 1.20 4.76 -1.23 -4.65 118.16 115.35 2rlo n LYS 20 Ca 0.24 -0.66 0.04 0.00 -2.87 0.00 0.00 58.31 55.05 2rlo n LYS 20 Cb 0.37 -1.15 -0.00 0.00 -1.84 0.00 0.00 35.03 32.41 2rlo n LYS 20 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2rlo s GLU 21 N -3.35 0.48 -0.21 1.97 2.12 -1.23 -4.95 118.70 113.52 2rlo s GLU 21 Ca 0.31 0.30 -0.12 0.00 0.36 0.00 0.00 54.97 55.82 2rlo s GLU 21 Cb -0.05 0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.46 2rlo s GLU 21 CO 0.26 -0.85 0.21 -1.58 -0.54 0.00 0.00 175.26 172.76 2rlo s TRP 22 N 2.67 3.37 0.15 5.30 0.52 -1.26 0.79 118.94 130.47 2rlo s TRP 22 Ca 0.15 0.37 -0.01 0.00 0.02 0.00 0.00 56.10 56.63 2rlo s TRP 22 Cb -0.07 -2.30 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2rlo s TRP 22 CO -0.22 0.13 0.34 0.15 0.02 0.00 0.00 176.95 177.37 2rlo s LYS 23 N 0.85 3.52 -0.21 4.98 3.01 -0.33 -4.65 119.74 126.91 2rlo s LYS 23 Ca 0.11 -0.34 -0.28 0.00 -1.01 0.00 0.00 55.97 54.45 2rlo s LYS 23 Cb -0.13 -2.90 -0.05 0.00 -1.01 0.00 0.00 37.83 33.74 2rlo s LYS 23 CO 0.03 0.48 2.02 0.21 0.51 0.00 0.00 175.35 178.60 2rlo s LYS 24 N -2.98 3.39 0.23 1.68 2.47 -1.26 -1.70 119.74 121.56 2rlo s LYS 24 Ca 0.38 1.93 0.02 0.00 -1.56 0.00 0.00 55.97 56.74 2rlo s LYS 24 Cb -0.12 -4.27 0.02 0.00 -1.46 0.00 0.00 37.83 32.00 2rlo s LYS 24 CO 0.28 -1.80 0.16 1.17 0.16 0.00 0.00 175.35 175.31 2rlo n LYS 25 N 8.40 1.18 -3.64 4.03 3.00 0.24 -4.53 118.16 126.84 2rlo n LYS 25 Ca 0.26 -1.45 -0.20 0.00 -0.00 0.00 0.00 58.31 56.92 2rlo n LYS 25 Cb 0.45 0.18 -0.17 0.00 0.00 0.00 0.00 35.03 35.49 2rlo n LYS 25 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 2rlo s TYR 26 N -1.19 -0.00 0.08 5.64 6.14 -0.72 -1.57 117.35 125.72 2rlo s TYR 26 Ca 0.12 0.23 0.08 0.00 0.64 0.00 0.00 57.07 58.14 2rlo s TYR 26 Cb -0.01 -0.46 -0.03 0.00 0.42 0.00 0.00 41.96 41.88 2rlo s TYR 26 CO 0.07 -0.31 -0.21 0.08 0.64 0.00 0.00 175.55 175.83 2rlo s VAL 27 N 2.21 1.70 -0.16 3.14 1.01 -0.05 0.45 120.40 128.68 2rlo s VAL 27 Ca 0.04 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.57 2rlo s VAL 27 Cb -0.13 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.79 2rlo s VAL 27 CO -0.06 0.05 0.08 -0.89 0.00 0.00 0.00 175.10 174.28 2rlo s THR 28 N -1.01 0.04 -0.33 3.92 2.01 0.90 -0.85 115.64 120.31 2rlo s THR 28 Ca 0.07 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.66 2rlo s THR 28 Cb -0.09 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2rlo s THR 28 CO 0.03 -0.22 0.70 -0.22 -0.69 0.00 0.00 174.62 174.22 2rlo s LEU 29 N 2.08 4.16 0.29 4.42 1.98 0.25 -2.31 118.68 129.55 2rlo s LEU 29 Ca 0.02 0.38 0.07 0.00 -2.89 0.00 0.00 54.13 51.71 2rlo s LEU 29 Cb -0.16 -2.91 -0.03 0.00 0.66 0.00 0.00 46.19 43.75 2rlo s LEU 29 CO -0.08 -0.60 0.30 -0.55 -1.89 0.00 0.00 176.35 173.53 2rlo s SER 30 N 1.73 5.65 0.00 3.68 0.15 -1.03 0.29 113.70 124.16 2rlo s SER 30 Ca 0.28 -0.27 0.18 0.00 0.70 0.00 0.00 55.95 56.84 2rlo s SER 30 Cb -0.14 -1.30 1.06 0.00 -1.71 0.00 0.00 66.02 63.92 2rlo s SER 30 CO 0.14 -0.21 1.69 -0.24 1.20 0.00 0.00 173.24 175.81 2rlo n SER 31 N -1.36 0.09 -1.57 5.45 2.88 0.49 -3.62 113.62 115.98 2rlo n SER 31 Ca -0.05 -1.45 -0.07 0.00 -1.33 0.00 0.00 58.87 55.97 2rlo n SER 31 Cb 0.58 -0.01 0.15 0.00 -0.75 0.00 0.00 64.21 64.19 2rlo n SER 31 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2rlo n ASN 32 N -0.72 3.57 -3.46 -3.46 5.15 -1.26 -4.85 115.26 110.22 2rlo n ASN 32 Ca 0.14 -2.79 -0.25 0.00 -0.60 0.00 0.00 54.58 51.07 2rlo n ASN 32 Cb 0.08 -0.67 0.02 0.00 -0.53 0.00 0.00 39.78 38.69 2rlo n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rlo n GLY 33 N -0.15 -0.51 2.82 8.20 0.00 -1.24 -4.93 105.19 109.38 2rlo n GLY 33 Ca 0.28 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.15 0.09 -0.24 1.61 5.36 -1.26 -0.81 117.98 119.57 2rlo s PHE 34 Ca 0.48 0.06 -0.03 0.00 -0.96 0.00 0.00 56.93 56.48 2rlo s PHE 34 Cb -0.23 -0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.27 2rlo s PHE 34 CO 0.59 -0.06 -0.05 -1.17 -1.46 0.00 0.00 175.22 173.06 2rlo s LEU 35 N 0.64 3.07 0.13 6.12 2.96 -0.95 -2.47 118.68 128.18 2rlo s LEU 35 Ca -0.06 -0.70 0.07 0.00 -0.22 0.00 0.00 54.13 53.23 2rlo s LEU 35 Cb -0.08 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2rlo s LEU 35 CO -0.02 -0.09 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.07 2rlo s LEU 36 N 1.38 3.06 -0.26 -0.68 1.02 -0.98 -1.30 118.68 120.93 2rlo s LEU 36 Ca 0.02 -0.42 -0.20 0.00 0.02 0.00 0.00 54.13 53.55 2rlo s LEU 36 Cb -0.16 -1.82 0.07 0.00 0.02 0.00 0.00 46.19 44.31 2rlo s LEU 36 CO -0.04 0.15 0.66 -0.72 0.02 0.00 0.00 176.35 176.42 2rlo s TYR 37 N -1.37 -0.83 0.28 0.29 1.13 -0.69 -0.07 117.35 116.09 2rlo s TYR 37 Ca 0.23 1.88 0.11 0.00 -1.41 0.00 0.00 57.07 57.88 2rlo s TYR 37 Cb -0.10 0.37 -0.05 0.00 -1.10 0.00 0.00 41.96 41.08 2rlo s TYR 37 CO 0.15 -0.41 -0.15 -1.01 -2.51 0.00 0.00 175.55 171.61 2rlo s HIS 38 N 0.81 2.38 0.41 -3.49 0.09 0.17 -1.66 115.29 114.00 2rlo s HIS 38 Ca -0.04 -0.32 0.16 0.00 -0.00 0.00 0.00 55.06 54.87 2rlo s HIS 38 Cb -0.05 -1.05 1.04 0.00 -0.00 0.00 0.00 32.58 32.52 2rlo s HIS 38 CO -0.06 0.69 1.88 -1.35 -0.00 0.00 0.00 174.74 175.90 2rlo h PRO 39 N 2.18 0.43 -2.94 8.40 0.11 -1.85 -1.91 132.00 136.42 2rlo h PRO 39 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2rlo h PRO 39 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2rlo h PRO 39 CO 0.61 0.28 0.32 0.45 -0.21 0.00 0.00 178.00 179.45 2rlo s SER 40 N -5.76 0.03 0.17 -2.05 0.15 -1.26 -4.20 113.70 100.76 2rlo s SER 40 Ca -0.08 -1.12 -0.13 0.00 0.70 0.00 0.00 55.95 55.31 2rlo s SER 40 Cb 0.22 0.81 0.06 0.00 -1.71 0.00 0.00 66.02 65.40 2rlo s SER 40 CO 0.78 -1.62 1.77 0.40 1.20 0.00 0.00 173.24 175.77 2rlo h ILE 41 N 2.00 1.18 -0.70 6.45 5.03 -1.87 -1.54 117.51 128.06 2rlo h ILE 41 Ca -0.33 -0.48 0.20 0.00 -0.12 0.00 0.00 64.86 64.14 2rlo h ILE 41 Cb 1.25 0.51 -0.03 0.00 -3.03 0.00 0.00 36.82 35.52 2rlo h ILE 41 CO 0.41 0.20 0.56 0.78 -0.68 0.00 0.00 178.15 179.42 2rlo h ASN 42 N 0.73 0.00 0.12 1.72 2.35 -1.98 0.37 115.58 118.88 2rlo h ASN 42 Ca 0.19 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.66 2rlo h ASN 42 Cb 0.06 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.45 2rlo h ASN 42 CO -0.03 0.00 -1.14 0.44 -1.65 0.00 0.00 177.43 175.05 2rlo h ASP 43 N 0.00 0.85 0.06 5.81 5.19 -1.60 -1.80 116.42 124.93 2rlo h ASP 43 Ca 0.33 -0.74 -0.00 0.00 -0.62 0.00 0.00 57.03 56.00 2rlo h ASP 43 Cb 1.45 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2rlo h ASP 43 CO -0.00 1.54 -0.03 0.22 -3.12 0.00 0.00 179.24 177.85 2rlo h TYR 44 N 0.31 -0.08 0.73 4.55 3.20 -0.17 0.99 116.97 126.51 2rlo h TYR 44 Ca -0.15 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.68 2rlo h TYR 44 Cb 1.80 0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.10 2rlo h TYR 44 CO 0.10 0.41 -0.41 0.82 -1.64 0.00 0.00 178.16 177.45 2rlo h ILE 45 N -0.61 0.00 0.00 1.81 2.04 -0.61 -3.11 117.51 117.03 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 0.52 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2rlo h ILE 45 CO 0.01 0.00 -0.31 0.45 0.00 0.00 0.00 178.15 178.31 2rlo h HIS 46 N -1.05 0.00 -3.16 1.37 3.86 -1.45 -3.49 115.15 111.23 2rlo h HIS 46 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2rlo h HIS 46 Cb 0.83 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2rlo h HIS 46 CO -0.02 0.31 -0.02 0.45 0.86 0.00 0.00 177.93 179.50 2rlo n SER 47 N -3.38 -2.41 -4.07 2.45 2.88 0.29 -5.02 113.62 104.36 2rlo n SER 47 Ca 0.01 0.02 -0.32 0.00 -1.33 0.00 0.00 58.87 57.24 2rlo n SER 47 Cb 0.51 -1.30 -0.16 0.00 -0.75 0.00 0.00 64.21 62.51 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 -2.07 1.97 0.00 2.46 -4.23 0.14 -4.85 115.64 109.07 2rlo s THR 48 Ca 0.01 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2rlo s THR 48 Cb -0.00 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.91 2rlo s THR 48 CO 0.05 0.29 0.00 1.57 -0.54 0.00 0.00 174.62 176.00 2rlo n HIS 49 N 4.59 0.00 -3.16 3.99 -0.00 -1.26 -4.76 115.22 114.62 2rlo n HIS 49 Ca -0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.49 2rlo n HIS 49 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.47 2rlo n HIS 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2rlo n GLY 50 N 0.00 -0.60 3.81 1.57 0.00 -1.26 -4.93 105.19 103.78 2rlo n GLY 50 Ca 0.00 0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.33 2.97 0.01 1.61 -0.14 -0.67 -4.88 119.74 117.32 2rlo s LYS 51 Ca 0.06 1.01 -0.28 0.00 -1.36 0.00 0.00 55.97 55.40 2rlo s LYS 51 Cb -0.01 -1.99 0.08 0.00 -1.68 0.00 0.00 37.83 34.23 2rlo s LYS 51 CO 0.25 -1.08 0.71 -1.83 -0.76 0.00 0.00 175.35 172.64 2rlo s GLU 52 N -4.87 1.05 0.03 1.68 -1.05 -1.26 -1.70 118.70 112.59 2rlo s GLU 52 Ca 0.59 -0.03 -0.04 0.00 -0.15 0.00 0.00 54.97 55.34 2rlo s GLU 52 Cb -0.14 0.49 -0.01 0.00 -0.44 0.00 0.00 34.13 34.02 2rlo s GLU 52 CO 0.52 -0.39 0.06 0.00 0.95 0.00 0.00 175.26 176.40 2rlo s MET 53 N -2.15 0.49 -0.14 -4.83 0.23 -0.42 -4.96 119.30 107.52 2rlo s MET 53 Ca -0.05 -0.68 -0.28 0.00 -1.03 0.00 0.00 55.69 53.65 2rlo s MET 53 Cb -0.00 0.19 -0.01 0.00 -1.53 0.00 0.00 34.83 33.48 2rlo s MET 53 CO 0.00 -0.11 0.96 -0.51 -2.03 0.00 0.00 175.02 173.34 2rlo s ASP 54 N -1.85 7.15 -0.15 -1.18 1.01 -1.26 -2.24 116.67 118.15 2rlo s ASP 54 Ca -0.09 1.42 0.06 0.00 0.71 0.00 0.00 52.55 54.64 2rlo s ASP 54 Cb -0.04 -2.53 0.40 0.00 1.01 0.00 0.00 42.92 41.76 2rlo s ASP 54 CO -0.03 -0.47 1.22 0.18 0.21 0.00 0.00 175.17 176.29 2rlo n LEU 55 N 5.25 3.79 0.09 1.23 4.77 0.01 -4.11 117.00 128.01 2rlo n LEU 55 Ca 0.08 -1.94 -0.23 0.00 -0.03 0.00 0.00 56.01 53.89 2rlo n LEU 55 Cb 0.48 -0.61 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 2rlo n LEU 55 CO 0.51 0.52 -0.37 0.25 -1.33 0.00 0.00 177.39 176.97 2rlo h LEU 56 N 1.79 0.66 -4.71 2.23 6.46 -1.87 -3.21 115.31 116.68 2rlo h LEU 56 Ca 0.08 -0.92 -0.41 0.00 -0.12 0.00 0.00 57.88 56.50 2rlo h LEU 56 Cb 1.43 -0.22 -0.41 0.00 -0.73 0.00 0.00 40.66 40.73 2rlo h LEU 56 CO 0.33 1.71 -0.98 0.54 -0.62 0.00 0.00 178.44 179.42 2rlo n ARG 57 N -3.72 2.44 -3.04 1.25 1.74 -1.26 -4.54 116.66 109.53 2rlo n ARG 57 Ca -0.21 -3.82 -0.24 0.00 -0.77 0.00 0.00 57.85 52.81 2rlo n ARG 57 Cb 1.04 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 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 -4.19 4.58 0.21 0.55 -4.23 -1.26 -4.19 115.64 107.11 2rlo s THR 58 Ca 0.37 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 2rlo s THR 58 Cb 0.39 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.48 2rlo s THR 58 CO -0.03 -0.53 -0.00 -0.89 -0.54 0.00 0.00 174.62 172.63 2rlo s THR 59 N -2.52 0.91 -0.05 3.99 2.01 -0.09 -4.96 115.64 114.92 2rlo s THR 59 Ca 0.45 -2.02 0.02 0.00 0.31 0.00 0.00 61.69 60.45 2rlo s THR 59 Cb -0.10 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.15 2rlo s THR 59 CO 0.39 -0.36 -0.09 0.68 -0.69 0.00 0.00 174.62 174.54 2rlo s VAL 60 N -3.50 0.91 0.14 3.82 -7.23 -1.26 -1.01 120.40 112.26 2rlo s VAL 60 Ca 0.27 -0.35 -0.00 0.00 -1.81 0.00 0.00 61.98 60.09 2rlo s VAL 60 Cb 0.06 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 2rlo s VAL 60 CO 0.07 0.30 0.03 -0.54 -0.31 0.00 0.00 175.10 174.66 2rlo s LYS 61 N 0.70 0.95 -0.08 4.82 1.02 -0.91 -4.94 119.74 121.31 2rlo s LYS 61 Ca -0.13 -1.45 -0.00 0.00 0.02 0.00 0.00 55.97 54.41 2rlo s LYS 61 Cb -0.15 0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.26 2rlo s LYS 61 CO 0.02 -0.20 -0.05 0.08 -0.92 0.00 0.00 175.35 174.29 2rlo s VAL 62 N -3.91 0.71 -0.21 3.17 1.01 -1.26 0.70 120.40 120.61 2rlo s VAL 62 Ca 0.22 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 2rlo s VAL 62 Cb 0.07 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2rlo s VAL 62 CO 0.01 0.30 0.69 -2.16 0.00 0.00 0.00 175.10 173.95 2rlo s PRO 63 N 1.61 4.21 0.00 2.72 0.04 -1.26 -4.43 135.00 137.90 2rlo s PRO 63 Ca 0.01 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2rlo s PRO 63 Cb -0.13 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2rlo s PRO 63 CO -0.05 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2rlo n GLY 64 N 3.78 1.73 3.81 0.56 0.00 -1.26 -4.95 105.19 108.86 2rlo n GLY 64 Ca 0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 2rlo n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rlo s LYS 65 N 0.00 3.95 0.77 1.61 2.47 -1.26 -5.05 119.74 122.23 2rlo s LYS 65 Ca 0.00 1.24 -0.12 0.00 -1.56 0.00 0.00 55.97 55.53 2rlo s LYS 65 Cb 0.00 -2.13 0.06 0.00 -1.46 0.00 0.00 37.83 34.30 2rlo s LYS 65 CO 0.00 -0.29 1.12 1.03 0.16 0.00 0.00 175.35 177.37 2rlo s ARG 66 N -3.31 2.28 -0.17 4.03 0.52 -1.26 -4.77 118.95 116.28 2rlo s ARG 66 Ca 0.65 0.43 -0.36 0.00 -0.52 0.00 0.00 55.73 55.93 2rlo s ARG 66 Cb -0.13 -1.96 -0.12 0.00 0.52 0.00 0.00 34.95 33.26 2rlo s ARG 66 CO 0.19 -1.44 1.89 -0.35 0.02 0.00 0.00 175.30 175.61 2rlo n PRO 67 N -3.27 1.81 -2.29 3.54 -0.04 -1.26 -4.92 135.00 128.56 2rlo n PRO 67 Ca 0.07 0.65 -0.40 0.00 -0.04 0.00 0.00 63.50 63.78 2rlo n PRO 67 Cb 0.58 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 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 4.24 4.44 0.54 0.54 0.04 -1.26 -4.99 135.00 138.55 2rlo s PRO 68 Ca 0.96 1.99 -0.21 0.00 0.04 0.00 0.00 61.00 63.78 2rlo s PRO 68 Cb -0.80 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 2rlo s PRO 68 CO 0.55 -0.03 1.26 1.03 0.04 0.00 0.00 177.00 179.85 2rlo s ARG 69 N -1.71 3.23 -0.06 4.56 0.52 -1.26 -4.97 118.95 119.26 2rlo s ARG 69 Ca 0.48 1.99 -0.24 0.00 -0.52 0.00 0.00 55.73 57.45 2rlo s ARG 69 Cb -0.35 -2.19 -0.19 0.00 0.52 0.00 0.00 34.95 32.74 2rlo s ARG 69 CO 0.46 -1.04 0.98 0.00 0.02 0.00 0.00 175.30 175.72 2rlo h ALA 70 N 1.42 -0.11 0.00 2.13 0.00 -2.01 -3.47 119.26 117.22 2rlo h ALA 70 Ca -0.50 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2rlo h ALA 70 Cb 1.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2rlo h ALA 70 CO 0.57 -0.23 0.00 -0.89 0.00 0.00 0.00 179.25 178.70 2rlo n ILE 71 N -4.85 0.05 -3.16 0.00 5.41 -1.26 -5.05 119.36 110.51 2rlo n ILE 71 Ca -0.08 0.02 0.04 0.00 1.00 0.00 0.00 62.75 63.73 2rlo n ILE 71 Cb 0.29 -0.29 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 2rlo n ILE 71 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2rlo s SER 72 N -4.47 -1.12 -0.12 4.38 0.01 -1.26 -5.02 113.70 106.11 2rlo s SER 72 Ca 0.00 0.72 0.10 0.00 1.31 0.00 0.00 55.95 58.08 2rlo s SER 72 Cb 0.00 1.95 0.50 0.00 0.21 0.00 0.00 66.02 68.68 2rlo s SER 72 CO 0.00 -0.21 1.31 0.00 0.41 0.00 0.00 173.24 174.75 2rlo n ALA 73 N 5.44 3.17 -2.51 1.44 0.00 -1.26 -4.97 120.51 121.82 2rlo n ALA 73 Ca -0.03 -1.14 -0.02 0.00 0.00 0.00 0.00 53.44 52.25 2rlo n ALA 73 Cb 0.52 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.68 -4.29 0.00 7.35 -1.26 -5.08 117.46 111.01 2rlo n PHE 74 Ca 0.17 1.86 -0.18 0.00 -0.76 0.00 0.00 57.45 58.54 2rlo n PHE 74 Cb 0.75 -3.67 -0.06 0.00 0.35 0.00 0.00 39.48 36.85 2rlo n PHE 74 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2rlo n GLY 75 N 0.97 3.21 0.41 7.13 0.00 -1.26 -5.02 105.19 110.63 2rlo n GLY 75 Ca -0.16 -1.93 0.23 0.00 0.00 0.00 0.00 46.02 44.16 2rlo n GLY 75 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rlo h PRO 76 N 0.00 0.00 -5.49 1.61 0.11 -2.06 -3.36 132.00 122.82 2rlo h PRO 76 Ca -0.22 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.66 2rlo h PRO 76 Cb 0.99 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 2rlo h PRO 76 CO 0.33 0.00 0.67 -1.54 -0.21 0.00 0.00 178.00 177.24 2rlo s SER 77 N -5.52 4.68 -0.09 -2.05 1.04 -1.26 -4.68 113.70 105.82 2rlo s SER 77 Ca -0.05 -1.00 -0.06 0.00 0.48 0.00 0.00 55.95 55.32 2rlo s SER 77 Cb 0.18 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.70 2rlo s SER 77 CO 0.64 -3.32 -0.12 0.00 0.98 0.00 0.00 173.24 171.42 2rlo n ALA 78 N 15.60 0.30 0.00 5.32 0.00 -1.26 -5.05 120.51 135.41 2rlo n ALA 78 Ca 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2rlo n ALA 78 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2rlo n ALA 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2rlo n SER 79 N -3.81 0.00 0.00 0.00 2.88 -1.26 -5.11 113.62 106.32 2rlo n SER 79 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2rlo n SER 79 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2rlo n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rlo n GLY 80 N 0.00 1.47 1.62 0.46 0.00 -1.26 -4.78 105.19 102.70 2rlo n GLY 80 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2rlo n GLY 80 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rlo n SER 81 N 10.63 1.16 -2.88 1.61 2.88 -1.26 -5.14 113.62 120.63 2rlo n SER 81 Ca 0.00 -2.05 -0.00 0.00 -1.33 0.00 0.00 58.87 55.49 2rlo n SER 81 Cb 0.00 0.48 0.01 0.00 -0.75 0.00 0.00 64.21 63.95 2rlo n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rlo s ALA 82 N -2.53 -3.54 -0.40 -1.46 0.00 -1.26 -4.99 121.76 107.59 2rlo s ALA 82 Ca 0.09 0.62 0.08 0.00 0.00 0.00 0.00 51.96 52.76 2rlo s ALA 82 Cb 0.00 -2.89 0.60 0.00 0.00 0.00 0.00 23.12 20.83 2rlo s ALA 82 CO 0.07 -2.39 1.54 0.41 0.00 0.00 0.00 175.76 175.39 2rlo n GLY 83 N 3.61 3.03 0.41 0.00 0.00 -1.26 -4.21 105.19 106.78 2rlo n GLY 83 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.10 0.00 -3.59 1.61 1.13 -1.26 -5.02 117.38 110.36 2rlo n GLN 84 Ca 0.29 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.96 2rlo n GLN 84 Cb 1.11 -0.69 -0.11 0.00 0.11 0.00 0.00 30.24 30.66 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2rlo s ALA 85 N -1.79 3.44 -0.39 -1.58 0.00 -1.26 -4.92 121.76 115.27 2rlo s ALA 85 Ca 0.00 -1.29 0.10 0.00 0.00 0.00 0.00 51.96 50.77 2rlo s ALA 85 Cb 0.00 -2.52 0.40 0.00 0.00 0.00 0.00 23.12 21.00 2rlo s ALA 85 CO 0.00 -0.82 1.38 -1.91 0.00 0.00 0.00 175.76 174.42 2rlo n GLU 86 N 5.06 1.23 -0.23 0.00 0.00 -1.26 -4.92 120.64 120.53 2rlo n GLU 86 Ca -0.13 -1.76 -0.05 0.00 0.00 0.00 0.00 57.16 55.22 2rlo n GLU 86 Cb 0.50 0.00 0.05 0.00 0.00 0.00 0.00 31.44 32.00 2rlo n GLU 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2rlo h GLU 87 N 1.84 0.81 -6.66 5.31 4.81 -2.01 -3.46 114.58 115.22 2rlo h GLU 87 Ca -0.31 -0.05 -0.52 0.00 -0.13 0.00 0.00 59.36 58.35 2rlo h GLU 87 Cb 1.30 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 30.51 2rlo h GLU 87 CO -0.07 0.54 -0.98 -0.85 -0.73 0.00 0.00 179.01 176.92 2rlo n GLU 88 N -4.66 -0.72 -3.58 1.92 0.28 -1.26 -4.96 120.64 107.66 2rlo n GLU 88 Ca 0.06 0.31 -0.28 0.00 -0.16 0.00 0.00 57.16 57.09 2rlo n GLU 88 Cb 0.04 -3.05 -0.16 0.00 1.43 0.00 0.00 31.44 29.70 2rlo n GLU 88 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2rlo s ASN 89 N -3.43 3.16 -0.25 -1.84 -0.87 -1.26 -5.10 114.94 105.35 2rlo s ASN 89 Ca 0.42 -1.07 0.02 0.00 -1.57 0.00 0.00 52.86 50.65 2rlo s ASN 89 Cb -0.20 -0.34 0.06 0.00 -0.02 0.00 0.00 41.25 40.75 2rlo s ASN 89 CO 0.92 -0.41 -0.07 0.72 -2.57 0.00 0.00 177.10 175.70 2rlo s PHE 90 N 2.09 2.72 -0.07 2.20 -0.71 -1.26 -5.06 117.98 117.89 2rlo s PHE 90 Ca 0.06 -1.98 -0.03 0.00 -1.04 0.00 0.00 56.93 53.95 2rlo s PHE 90 Cb -0.16 -1.73 0.04 0.00 -1.21 0.00 0.00 43.02 39.96 2rlo s PHE 90 CO -0.27 -0.82 0.15 -1.21 -1.34 0.00 0.00 175.22 171.73 2rlo s GLU 91 N 1.29 0.09 0.07 1.99 8.01 -1.26 -3.35 118.70 125.53 2rlo s GLU 91 Ca -0.06 0.37 0.07 0.00 0.01 0.00 0.00 54.97 55.36 2rlo s GLU 91 Cb -0.19 -0.18 -0.03 0.00 -4.31 0.00 0.00 34.13 29.42 2rlo s GLU 91 CO -0.06 -0.17 -0.20 -0.59 0.01 0.00 0.00 175.26 174.25 2rlo s PHE 92 N 1.18 1.75 -0.08 1.61 -0.12 -0.69 -4.69 117.98 116.94 2rlo s PHE 92 Ca -0.09 -0.39 -0.02 0.00 -0.05 0.00 0.00 56.93 56.38 2rlo s PHE 92 Cb -0.12 -1.01 -0.03 0.00 -0.63 0.00 0.00 43.02 41.23 2rlo s PHE 92 CO -0.06 0.13 -0.00 -0.51 -0.05 0.00 0.00 175.22 174.73 2rlo s LEU 93 N -1.47 3.56 -0.26 -1.99 1.43 0.22 -1.71 118.68 118.45 2rlo s LEU 93 Ca 0.06 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2rlo s LEU 93 Cb -0.09 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.35 2rlo s LEU 93 CO 0.03 0.37 -0.06 -0.63 0.23 0.00 0.00 176.35 176.29 2rlo s ILE 94 N -0.89 2.66 -0.20 -0.59 -1.09 -0.10 -2.13 121.20 118.85 2rlo s ILE 94 Ca 0.14 -1.31 -0.08 0.00 -2.23 0.00 0.00 60.65 57.16 2rlo s ILE 94 Cb -0.11 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2rlo s ILE 94 CO 0.03 0.05 0.09 -0.69 -1.23 0.00 0.00 174.94 173.19 2rlo s VAL 95 N 1.24 4.93 0.43 2.92 1.01 -0.18 0.18 120.40 130.91 2rlo s VAL 95 Ca -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 2rlo s VAL 95 Cb -0.18 -3.25 0.09 0.00 0.00 0.00 0.00 36.38 33.03 2rlo s VAL 95 CO -0.04 0.42 0.58 -0.24 0.00 0.00 0.00 175.10 175.82 2rlo n SER 96 N 3.87 0.59 0.06 3.32 2.88 0.10 -0.92 113.62 123.52 2rlo n SER 96 Ca -0.16 -1.54 0.13 0.00 -1.33 0.00 0.00 58.87 55.97 2rlo n SER 96 Cb 0.52 -0.40 0.42 0.00 -0.75 0.00 0.00 64.21 64.01 2rlo n SER 96 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2rlo n SER 97 N -3.06 0.53 -1.80 -3.46 2.88 -1.26 -3.38 113.62 104.07 2rlo n SER 97 Ca 0.09 0.42 -0.05 0.00 -1.33 0.00 0.00 58.87 58.00 2rlo n SER 97 Cb 0.32 -0.49 0.29 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.95 2.84 -0.14 2.46 5.66 -1.26 -4.90 114.28 116.99 2rlo n THR 98 Ca 0.06 -1.80 0.00 0.00 -3.05 0.00 0.00 64.05 59.26 2rlo n THR 98 Cb 0.40 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 2.39 3.77 1.09 0.00 -1.22 -4.99 105.19 105.90 2rlo n GLY 99 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 2.44 -3.75 1.61 -0.06 -1.26 -4.74 117.38 109.62 2rlo n GLN 100 Ca 0.00 0.86 -0.25 0.00 -2.00 0.00 0.00 57.00 55.61 2rlo n GLN 100 Cb 0.00 -2.65 -0.17 0.00 -4.06 0.00 0.00 30.24 23.36 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 -1.16 0.46 -0.46 1.69 2.01 -1.26 0.03 115.64 116.96 2rlo s THR 101 Ca 0.58 -0.23 -0.14 0.00 0.31 0.00 0.00 61.69 62.20 2rlo s THR 101 Cb -0.46 -0.80 0.07 0.00 0.01 0.00 0.00 72.50 71.32 2rlo s THR 101 CO 0.60 0.02 0.36 0.26 -0.69 0.00 0.00 174.62 175.18 2rlo s TRP 102 N 1.91 3.26 -0.32 4.92 0.52 0.13 -4.89 118.94 124.46 2rlo s TRP 102 Ca 0.02 -1.00 -0.20 0.00 0.02 0.00 0.00 56.10 54.95 2rlo s TRP 102 Cb -0.15 -3.07 -0.01 0.00 -1.15 0.00 0.00 33.47 29.10 2rlo s TRP 102 CO -0.07 -0.78 0.60 -1.58 0.02 0.00 0.00 176.95 175.14 2rlo s HIS 103 N 1.61 3.19 0.26 -1.98 2.46 -1.26 -0.92 115.29 118.65 2rlo s HIS 103 Ca 0.04 0.44 0.10 0.00 0.47 0.00 0.00 55.06 56.11 2rlo s HIS 103 Cb -0.23 -3.00 -0.05 0.00 -0.13 0.00 0.00 32.58 29.16 2rlo s HIS 103 CO 0.06 -0.52 -0.15 -0.06 -2.47 0.00 0.00 174.74 171.61 2rlo s PHE 104 N 2.58 2.06 -0.27 3.88 0.08 -0.70 -4.14 117.98 121.47 2rlo s PHE 104 Ca 0.23 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.79 2rlo s PHE 104 Cb -0.15 -0.98 0.08 0.00 -0.57 0.00 0.00 43.02 41.40 2rlo s PHE 104 CO 0.13 0.52 0.06 -2.00 -0.10 0.00 0.00 175.22 173.83 2rlo s GLU 105 N -3.60 0.82 -0.04 0.44 2.12 0.06 -1.70 118.70 116.81 2rlo s GLU 105 Ca 0.28 -0.88 -0.37 0.00 0.36 0.00 0.00 54.97 54.36 2rlo s GLU 105 Cb -0.02 -2.11 -0.16 0.00 0.26 0.00 0.00 34.13 32.10 2rlo s GLU 105 CO 0.12 -0.83 1.54 0.00 -0.54 0.00 0.00 175.26 175.54 2rlo n ALA 106 N 4.88 -0.35 0.16 6.30 0.00 -1.21 -2.21 120.51 128.07 2rlo n ALA 106 Ca -0.05 0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.88 2rlo n ALA 106 Cb 0.44 -2.18 0.46 0.00 0.00 0.00 0.00 19.45 18.17 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 5.91 1.66 -4.10 0.00 0.00 -1.92 -3.43 119.26 117.39 2rlo h ALA 107 Ca -0.47 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 53.61 2rlo h ALA 107 Cb 1.32 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.80 2rlo h ALA 107 CO 0.86 0.25 -0.86 -1.12 0.00 0.00 0.00 179.25 178.38 2rlo s SER 108 N -6.92 3.34 0.39 0.00 0.01 -1.26 -5.03 113.70 104.22 2rlo s SER 108 Ca -0.05 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.65 2rlo s SER 108 Cb 0.16 -0.32 0.77 0.00 0.21 0.00 0.00 66.02 66.84 2rlo s SER 108 CO 0.71 0.23 2.01 0.15 0.41 0.00 0.00 173.24 176.75 2rlo h PHE 109 N 4.39 0.55 -0.04 2.43 3.04 -1.99 -1.61 116.94 123.71 2rlo h PHE 109 Ca -0.48 -0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.30 2rlo h PHE 109 Cb 1.15 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 2rlo h PHE 109 CO 0.53 0.40 -0.72 1.05 -2.02 0.00 0.00 178.31 177.55 2rlo h GLU 110 N 0.57 0.21 -0.13 1.11 4.11 -1.96 -3.18 114.58 115.32 2rlo h GLU 110 Ca 0.15 -0.18 -0.15 0.00 0.07 0.00 0.00 59.36 59.25 2rlo h GLU 110 Cb 0.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2rlo h GLU 110 CO -0.02 0.84 -0.56 1.49 0.07 0.00 0.00 179.01 180.83 2rlo h GLU 111 N 0.14 0.39 -0.81 1.06 4.81 -1.75 -2.46 114.58 115.96 2rlo h GLU 111 Ca -0.02 -0.25 0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2rlo h GLU 111 Cb 1.28 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 2rlo h GLU 111 CO 0.11 0.84 0.49 0.07 -0.73 0.00 0.00 179.01 179.79 2rlo h ARG 112 N 0.30 0.85 -0.03 1.92 -0.00 -1.30 0.13 114.38 116.25 2rlo h ARG 112 Ca 0.00 -0.05 -0.09 0.00 -0.00 0.00 0.00 59.98 59.85 2rlo h ARG 112 Cb 1.07 -0.19 0.01 0.00 -0.00 0.00 0.00 29.97 30.85 2rlo h ARG 112 CO 0.10 0.56 -0.32 0.38 -0.00 0.00 0.00 179.97 180.69 2rlo h ASP 113 N 0.88 0.33 -0.18 0.08 3.04 -1.63 -2.38 116.42 116.55 2rlo h ASP 113 Ca 0.36 -0.72 0.05 0.00 -3.24 0.00 0.00 57.03 53.49 2rlo h ASP 113 Cb 0.20 -0.10 -0.06 0.00 -1.04 0.00 0.00 39.33 38.33 2rlo h ASP 113 CO -0.18 0.99 -0.21 0.00 -2.04 0.00 0.00 179.24 177.80 2rlo h ALA 114 N 0.34 -0.13 0.31 4.15 0.00 -1.09 0.50 119.26 123.34 2rlo h ALA 114 Ca -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2rlo h ALA 114 Cb 1.02 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2rlo h ALA 114 CO 0.06 -0.65 -0.30 -1.49 0.00 0.00 0.00 179.25 176.88 2rlo h TRP 115 N -0.24 -0.79 -0.79 0.00 4.06 -0.83 1.35 115.95 118.70 2rlo h TRP 115 Ca 0.12 0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.22 2rlo h TRP 115 Cb 0.42 0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 28.83 2rlo h TRP 115 CO -0.34 -0.43 0.53 0.28 -3.56 0.00 0.00 178.44 174.91 2rlo h VAL 116 N -0.63 0.79 0.00 1.49 2.07 -0.98 0.49 116.25 119.48 2rlo h VAL 116 Ca -0.01 -0.16 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 2rlo h VAL 116 Cb 0.57 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2rlo h VAL 116 CO -0.05 0.08 -0.74 1.56 0.02 0.00 0.00 177.57 178.44 2rlo h GLN 117 N 0.46 0.00 -0.20 1.57 4.20 0.11 -2.54 115.11 118.72 2rlo h GLN 117 Ca 0.39 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.96 2rlo h GLN 117 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2rlo h GLN 117 CO -0.14 0.74 -0.42 0.00 -0.67 0.00 0.00 178.83 178.35 2rlo h ALA 118 N 1.26 0.32 -0.04 3.87 0.00 0.62 0.20 119.26 125.48 2rlo h ALA 118 Ca -0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2rlo h ALA 118 Cb 1.53 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2rlo h ALA 118 CO 0.10 0.43 -0.01 0.82 0.00 0.00 0.00 179.25 180.59 2rlo h ILE 119 N 0.32 1.28 -0.17 0.00 5.03 -0.54 -1.07 117.51 122.36 2rlo h ILE 119 Ca 0.00 -0.85 -0.07 0.00 -0.12 0.00 0.00 64.86 63.82 2rlo h ILE 119 Cb 1.02 1.78 -0.01 0.00 -3.03 0.00 0.00 36.82 36.58 2rlo h ILE 119 CO 0.09 0.23 -0.22 1.05 -0.68 0.00 0.00 178.15 178.62 2rlo h GLU 120 N -0.26 0.29 -0.63 2.37 4.11 -1.50 -1.95 114.58 117.00 2rlo h GLU 120 Ca 0.01 -0.09 -0.05 0.00 0.07 0.00 0.00 59.36 59.29 2rlo h GLU 120 Cb 0.37 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2rlo h GLU 120 CO 0.00 0.51 0.18 1.03 0.07 0.00 0.00 179.01 180.81 2rlo h SER 121 N 0.27 0.93 0.01 3.06 0.87 -0.43 -0.27 113.55 117.99 2rlo h SER 121 Ca 0.04 -0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.29 2rlo h SER 121 Cb 0.55 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2rlo h SER 121 CO 0.04 0.90 -0.30 1.56 -0.53 0.00 0.00 176.83 178.50 2rlo h GLN 122 N 0.92 0.43 -0.27 2.24 1.08 -0.81 -1.92 115.11 116.79 2rlo h GLN 122 Ca 0.20 -0.18 -0.16 0.00 -1.45 0.00 0.00 58.65 57.07 2rlo h GLN 122 Cb 0.31 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2rlo h GLN 122 CO -0.00 0.69 -0.47 0.82 -0.95 0.00 0.00 178.83 178.92 2rlo h ILE 123 N 0.38 1.30 -0.44 2.54 2.04 -0.92 0.13 117.51 122.54 2rlo h ILE 123 Ca 0.05 -1.67 -0.14 0.00 1.00 0.00 0.00 64.86 64.10 2rlo h ILE 123 Cb 0.72 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2rlo h ILE 123 CO 0.06 0.54 -0.27 0.25 0.00 0.00 0.00 178.15 178.73 2rlo h LEU 124 N 0.56 0.96 -0.39 1.44 5.85 -0.85 0.33 115.31 123.22 2rlo h LEU 124 Ca 0.03 -0.38 -0.16 0.00 0.84 0.00 0.00 57.88 58.21 2rlo h LEU 124 Cb 1.03 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2rlo h LEU 124 CO 0.10 1.16 -0.75 0.00 -0.34 0.00 0.00 178.44 178.62 2rlo h ALA 125 N 0.90 0.68 0.00 1.25 0.00 -1.30 -3.22 119.26 117.57 2rlo h ALA 125 Ca 0.09 -0.68 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 2rlo h ALA 125 Cb 0.84 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2rlo h ALA 125 CO 0.07 0.93 -1.23 0.77 0.00 0.00 0.00 179.25 179.79 2rlo h SER 126 N 0.00 0.00 -0.77 0.00 0.02 -0.83 -3.32 113.55 108.65 2rlo h SER 126 Ca -0.01 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2rlo h SER 126 Cb 1.39 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.89 2rlo h SER 126 CO 0.10 0.95 0.50 -0.07 -1.14 0.00 0.00 176.83 177.16 2rlo h LEU 127 N 0.00 0.84 -1.47 5.07 3.38 -0.36 -3.48 115.31 119.29 2rlo h LEU 127 Ca -0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2rlo h LEU 127 Cb 1.82 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2rlo h LEU 127 CO 0.10 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.22