#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 3.61 -0.06 5.13 0.00 -1.26 -5.07 121.76 124.11 2rlo s ALA 2 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2rlo s ALA 2 Cb 0.00 -2.27 -0.00 0.00 0.00 0.00 0.00 23.12 20.84 2rlo s ALA 2 CO 0.00 -0.02 -0.19 0.42 0.00 0.00 0.00 175.76 175.96 2rlo s ILE 3 N -2.35 1.64 0.15 0.00 1.01 -1.26 -4.91 121.20 115.47 2rlo s ILE 3 Ca 0.43 -0.82 -0.31 0.00 0.00 0.00 0.00 60.65 59.95 2rlo s ILE 3 Cb -0.10 -1.41 -0.10 0.00 0.01 0.00 0.00 42.46 40.86 2rlo s ILE 3 CO 0.36 0.46 1.69 -2.84 0.00 0.00 0.00 174.94 174.62 2rlo s PRO 4 N 0.11 4.17 0.11 2.79 0.02 -1.26 -0.53 135.00 140.41 2rlo s PRO 4 Ca -0.07 2.48 0.22 0.00 0.02 0.00 0.00 61.00 63.65 2rlo s PRO 4 Cb -0.14 -3.31 -0.12 0.00 0.02 0.00 0.00 34.50 30.96 2rlo s PRO 4 CO 0.04 -0.73 0.84 -0.89 -0.33 0.00 0.00 177.00 175.93 2rlo n ILE 5 N 4.28 0.37 0.00 2.83 2.08 0.75 -4.87 119.36 124.80 2rlo n ILE 5 Ca 0.16 -0.51 0.00 0.00 0.56 0.00 0.00 62.75 62.96 2rlo n ILE 5 Cb 0.38 -0.18 0.00 0.00 -0.75 0.00 0.00 39.64 39.09 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 -2.48 0.00 -3.89 0.38 3.00 -0.73 -4.86 118.16 109.59 2rlo n LYS 6 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.02 2rlo n LYS 6 Cb 0.55 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.41 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 0.05 1.64 0.74 -1.26 0.88 119.66 123.13 2rlo s GLN 7 Ca 0.00 -0.39 -0.13 0.00 0.05 0.00 0.00 55.36 54.89 2rlo s GLN 7 Cb 0.00 -1.82 0.04 0.00 1.10 0.00 0.00 33.01 32.34 2rlo s GLN 7 CO 0.00 -0.37 0.59 -1.13 -0.55 0.00 0.00 175.29 173.83 2rlo n SER 8 N 4.92 -0.78 -4.75 6.67 3.41 -0.15 -4.99 113.62 117.95 2rlo n SER 8 Ca -0.12 -1.32 -0.40 0.00 -0.26 0.00 0.00 58.87 56.77 2rlo n SER 8 Cb 0.49 1.24 -0.05 0.00 -0.26 0.00 0.00 64.21 65.63 2rlo n SER 8 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2rlo s PHE 9 N -3.33 3.75 0.11 7.33 0.08 -1.26 -0.64 117.98 124.01 2rlo s PHE 9 Ca 0.14 1.49 0.07 0.00 0.12 0.00 0.00 56.93 58.75 2rlo s PHE 9 Cb -0.01 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.59 2rlo s PHE 9 CO 0.01 0.29 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.73 2rlo s LEU 10 N -0.13 2.33 0.11 -0.37 1.02 -0.64 -4.24 118.68 116.77 2rlo s LEU 10 Ca 0.38 -0.72 -0.23 0.00 0.02 0.00 0.00 54.13 53.59 2rlo s LEU 10 Cb -0.21 -0.75 -0.07 0.00 0.02 0.00 0.00 46.19 45.18 2rlo s LEU 10 CO 0.23 -0.01 0.68 -0.76 0.02 0.00 0.00 176.35 176.51 2rlo s LEU 11 N -2.07 4.55 -0.23 1.79 1.02 -0.97 0.12 118.68 122.89 2rlo s LEU 11 Ca 0.07 1.46 -0.01 0.00 0.02 0.00 0.00 54.13 55.66 2rlo s LEU 11 Cb -0.09 -3.11 0.07 0.00 0.02 0.00 0.00 46.19 43.08 2rlo s LEU 11 CO 0.04 0.22 0.01 -0.75 0.02 0.00 0.00 176.35 175.89 2rlo s LYS 12 N -1.03 1.09 0.57 1.70 2.47 -0.58 -1.28 119.74 122.68 2rlo s LYS 12 Ca 0.33 -0.78 -0.21 0.00 -1.56 0.00 0.00 55.97 53.75 2rlo s LYS 12 Cb -0.21 -2.32 -0.04 0.00 -1.46 0.00 0.00 37.83 33.79 2rlo s LYS 12 CO 0.23 -0.67 1.29 2.89 0.16 0.00 0.00 175.35 179.24 2rlo n ARG 13 N 4.85 1.47 -3.43 4.03 1.85 -1.26 -1.33 116.66 122.84 2rlo n ARG 13 Ca -0.09 0.55 0.01 0.00 -1.00 0.00 0.00 57.85 57.32 2rlo n ARG 13 Cb 0.45 -2.50 -0.03 0.00 -1.05 0.00 0.00 32.46 29.33 2rlo n ARG 13 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2rlo s SER 14 N -1.04 -1.17 0.00 2.89 0.15 0.22 -4.86 113.70 109.90 2rlo s SER 14 Ca 0.74 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2rlo s SER 14 Cb -0.41 2.17 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 2rlo s SER 14 CO 0.47 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2rlo n GLY 15 N 5.41 0.49 3.85 9.45 0.00 -1.26 -4.30 105.19 118.82 2rlo n GLY 15 Ca -0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 2rlo n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rlo s ASN 16 N -2.15 -0.03 -0.01 1.61 4.22 -1.25 -5.04 114.94 112.30 2rlo s ASN 16 Ca 0.00 -0.73 -0.02 0.00 -2.14 0.00 0.00 52.86 49.97 2rlo s ASN 16 Cb 0.00 0.58 -0.27 0.00 1.28 0.00 0.00 41.25 42.84 2rlo s ASN 16 CO 0.00 -1.14 0.81 -1.28 -2.04 0.00 0.00 177.10 173.46 2rlo h SER 17 N 2.00 0.35 0.04 3.54 0.87 -2.00 -3.24 113.55 115.11 2rlo h SER 17 Ca -0.28 -0.52 -0.10 0.00 -1.23 0.00 0.00 61.79 59.66 2rlo h SER 17 Cb 1.23 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2rlo h SER 17 CO 0.35 1.44 -0.33 0.25 -0.53 0.00 0.00 176.83 178.01 2rlo h LEU 18 N 0.06 0.43 -6.75 2.23 5.85 -2.05 -3.37 115.31 111.71 2rlo h LEU 18 Ca -0.26 -0.16 -0.60 0.00 0.84 0.00 0.00 57.88 57.70 2rlo h LEU 18 Cb 2.01 -0.12 -0.40 0.00 0.37 0.00 0.00 40.66 42.53 2rlo h LEU 18 CO 0.15 0.73 -0.80 0.21 -0.34 0.00 0.00 178.44 178.39 2rlo s ASN 19 N -6.84 3.06 0.85 1.25 2.47 -1.25 -5.12 114.94 109.35 2rlo s ASN 19 Ca -0.06 -2.88 -0.11 0.00 0.42 0.00 0.00 52.86 50.23 2rlo s ASN 19 Cb 0.13 -0.85 0.10 0.00 -1.45 0.00 0.00 41.25 39.19 2rlo s ASN 19 CO 0.79 -0.22 1.13 -0.54 -3.72 0.00 0.00 177.10 174.54 2rlo s LYS 20 N 0.09 1.57 -0.30 0.43 1.02 -1.22 -3.76 119.74 117.57 2rlo s LYS 20 Ca 0.23 1.41 0.01 0.00 0.02 0.00 0.00 55.97 57.65 2rlo s LYS 20 Cb -0.12 -1.80 0.19 0.00 -0.52 0.00 0.00 37.83 35.58 2rlo s LYS 20 CO -0.08 -2.20 0.73 -2.00 -0.92 0.00 0.00 175.35 170.88 2rlo s GLU 21 N -4.70 0.47 -0.06 1.68 2.12 -1.26 -4.95 118.70 111.98 2rlo s GLU 21 Ca 0.65 0.35 -0.16 0.00 0.36 0.00 0.00 54.97 56.16 2rlo s GLU 21 Cb -0.21 0.18 -0.05 0.00 0.26 0.00 0.00 34.13 34.31 2rlo s GLU 21 CO 0.56 -0.84 0.42 -1.58 -0.54 0.00 0.00 175.26 173.29 2rlo s TRP 22 N 2.73 3.61 0.15 5.30 0.52 -1.26 0.72 118.94 130.72 2rlo s TRP 22 Ca 0.15 0.91 0.07 0.00 0.02 0.00 0.00 56.10 57.25 2rlo s TRP 22 Cb -0.07 -2.41 -0.04 0.00 -1.15 0.00 0.00 33.47 29.81 2rlo s TRP 22 CO -0.23 0.40 0.00 0.21 0.02 0.00 0.00 176.95 177.35 2rlo s LYS 23 N -0.21 2.44 -0.01 4.98 2.47 -0.44 -4.70 119.74 124.27 2rlo s LYS 23 Ca 0.24 -1.04 -0.30 0.00 -1.56 0.00 0.00 55.97 53.31 2rlo s LYS 23 Cb -0.16 -2.40 -0.07 0.00 -1.46 0.00 0.00 37.83 33.74 2rlo s LYS 23 CO 0.11 0.47 1.84 0.21 0.16 0.00 0.00 175.35 178.15 2rlo s LYS 24 N -2.80 4.12 0.39 4.03 2.47 -1.26 -1.52 119.74 125.17 2rlo s LYS 24 Ca 0.27 2.41 0.01 0.00 -1.56 0.00 0.00 55.97 57.09 2rlo s LYS 24 Cb -0.10 -4.10 0.01 0.00 -1.46 0.00 0.00 37.83 32.18 2rlo s LYS 24 CO 0.19 -0.96 0.07 1.17 0.16 0.00 0.00 175.35 175.98 2rlo n LYS 25 N 7.42 1.02 -3.67 4.03 3.00 0.32 -4.61 118.16 125.68 2rlo n LYS 25 Ca 0.19 -2.77 -0.23 0.00 -0.00 0.00 0.00 58.31 55.50 2rlo n LYS 25 Cb 0.42 0.64 -0.17 0.00 0.00 0.00 0.00 35.03 35.92 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 -2.32 0.29 0.08 5.64 6.14 -0.78 -1.62 117.35 124.78 2rlo s TYR 26 Ca 0.05 -0.13 0.09 0.00 0.64 0.00 0.00 57.07 57.72 2rlo s TYR 26 Cb -0.00 -0.66 -0.03 0.00 0.42 0.00 0.00 41.96 41.68 2rlo s TYR 26 CO 0.03 -0.38 -0.24 0.08 0.64 0.00 0.00 175.55 175.68 2rlo s VAL 27 N 2.10 2.00 -0.17 3.14 1.01 0.18 0.16 120.40 128.82 2rlo s VAL 27 Ca 0.03 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 2rlo s VAL 27 Cb -0.14 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2rlo s VAL 27 CO -0.06 0.17 0.08 -0.89 0.00 0.00 0.00 175.10 174.39 2rlo s THR 28 N -0.95 0.06 -0.35 3.92 2.01 0.90 -0.98 115.64 120.26 2rlo s THR 28 Ca 0.11 -0.23 -0.21 0.00 0.31 0.00 0.00 61.69 61.66 2rlo s THR 28 Cb -0.10 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.75 2rlo s THR 28 CO 0.04 -0.25 0.68 -0.22 -0.69 0.00 0.00 174.62 174.19 2rlo s LEU 29 N 2.07 4.19 0.27 4.42 1.98 0.26 -2.24 118.68 129.63 2rlo s LEU 29 Ca 0.01 0.29 0.07 0.00 -2.89 0.00 0.00 54.13 51.61 2rlo s LEU 29 Cb -0.16 -2.87 -0.03 0.00 0.66 0.00 0.00 46.19 43.78 2rlo s LEU 29 CO -0.09 -0.61 0.23 -0.55 -1.89 0.00 0.00 176.35 173.45 2rlo s SER 30 N 1.76 5.52 0.00 3.68 0.15 -1.13 0.27 113.70 123.96 2rlo s SER 30 Ca 0.27 -0.29 0.20 0.00 0.70 0.00 0.00 55.95 56.84 2rlo s SER 30 Cb -0.14 -1.33 1.21 0.00 -1.71 0.00 0.00 66.02 64.05 2rlo s SER 30 CO 0.15 -0.12 1.66 -0.24 1.20 0.00 0.00 173.24 175.89 2rlo n SER 31 N -1.24 0.00 -1.52 5.45 2.88 0.31 -3.35 113.62 116.14 2rlo n SER 31 Ca -0.06 -0.97 -0.07 0.00 -1.33 0.00 0.00 58.87 56.44 2rlo n SER 31 Cb 0.58 0.00 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 -0.89 3.51 -3.95 -3.46 5.15 -1.26 -4.86 115.26 109.50 2rlo n ASN 32 Ca 0.15 -2.75 -0.31 0.00 -0.60 0.00 0.00 54.58 51.08 2rlo n ASN 32 Cb 0.07 -0.66 0.02 0.00 -0.53 0.00 0.00 39.78 38.68 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 -0.11 -0.48 2.74 8.20 0.00 -1.21 -4.96 105.19 109.37 2rlo n GLY 33 Ca 0.26 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 2rlo n GLY 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rlo s PHE 34 N -3.32 0.28 -0.31 1.61 2.19 -1.26 -2.05 117.98 115.12 2rlo s PHE 34 Ca 0.64 0.07 -0.11 0.00 0.33 0.00 0.00 56.93 57.86 2rlo s PHE 34 Cb -0.32 -0.52 -0.03 0.00 -1.31 0.00 0.00 43.02 40.84 2rlo s PHE 34 CO 0.84 -0.20 0.20 -1.17 1.83 0.00 0.00 175.22 176.72 2rlo s LEU 35 N 1.72 4.24 0.08 6.12 2.96 -0.92 -2.81 118.68 130.05 2rlo s LEU 35 Ca -0.00 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2rlo s LEU 35 Cb -0.13 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 2rlo s LEU 35 CO -0.03 -0.16 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.99 2rlo s LEU 36 N 1.70 3.08 -0.26 -0.68 1.02 -0.95 0.05 118.68 122.64 2rlo s LEU 36 Ca 0.06 -0.32 -0.17 0.00 0.02 0.00 0.00 54.13 53.72 2rlo s LEU 36 Cb -0.17 -1.85 0.07 0.00 0.02 0.00 0.00 46.19 44.27 2rlo s LEU 36 CO 0.09 0.20 0.66 -0.72 0.02 0.00 0.00 176.35 176.60 2rlo s TYR 37 N -1.16 -0.95 0.32 0.29 1.13 0.73 -0.07 117.35 117.63 2rlo s TYR 37 Ca 0.21 1.98 0.10 0.00 -1.41 0.00 0.00 57.07 57.95 2rlo s TYR 37 Cb -0.11 0.51 -0.06 0.00 -1.10 0.00 0.00 41.96 41.20 2rlo s TYR 37 CO 0.12 -0.47 -0.14 -1.01 -2.51 0.00 0.00 175.55 171.55 2rlo s HIS 38 N 1.33 2.35 0.32 -3.49 0.09 0.12 -1.27 115.29 114.74 2rlo s HIS 38 Ca -0.08 -0.44 0.16 0.00 -0.00 0.00 0.00 55.06 54.71 2rlo s HIS 38 Cb -0.05 -1.22 0.79 0.00 -0.00 0.00 0.00 32.58 32.09 2rlo s HIS 38 CO -0.15 0.63 1.82 -1.00 -0.00 0.00 0.00 174.74 176.05 2rlo h PRO 39 N 2.12 0.00 -3.38 8.40 0.13 -1.89 -2.08 132.00 135.30 2rlo h PRO 39 Ca -0.41 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2rlo h PRO 39 Cb 1.25 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 2rlo h PRO 39 CO 0.66 0.36 -0.03 -1.12 -0.23 0.00 0.00 178.00 177.64 2rlo s SER 40 N -6.69 -0.23 0.29 1.44 0.01 -1.26 -4.42 113.70 102.84 2rlo s SER 40 Ca -0.02 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.80 2rlo s SER 40 Cb 0.13 0.53 0.53 0.00 0.21 0.00 0.00 66.02 67.43 2rlo s SER 40 CO 0.70 -0.97 1.88 0.40 0.41 0.00 0.00 173.24 175.66 2rlo h ILE 41 N 2.28 1.01 -0.60 1.44 5.03 -1.90 0.13 117.51 124.90 2rlo h ILE 41 Ca -0.31 -0.35 0.17 0.00 -0.12 0.00 0.00 64.86 64.25 2rlo h ILE 41 Cb 1.26 -0.11 -0.02 0.00 -3.03 0.00 0.00 36.82 34.91 2rlo h ILE 41 CO 0.42 0.19 0.48 0.78 -0.68 0.00 0.00 178.15 179.33 2rlo h ASN 42 N 1.03 0.00 0.27 1.72 2.35 -1.98 0.34 115.58 119.31 2rlo h ASN 42 Ca 0.44 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.93 2rlo h ASN 42 Cb 0.33 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.71 2rlo h ASN 42 CO -0.19 0.00 -1.09 0.44 -1.65 0.00 0.00 177.43 174.93 2rlo h ASP 43 N 0.00 0.68 0.05 5.81 5.19 -1.06 -1.66 116.42 125.43 2rlo h ASP 43 Ca 0.28 -0.59 -0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2rlo h ASP 43 Cb 1.24 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2rlo h ASP 43 CO -0.00 1.41 -0.03 0.22 -3.12 0.00 0.00 179.24 177.72 2rlo h TYR 44 N 0.25 -0.07 0.80 4.55 3.20 -0.32 0.83 116.97 126.21 2rlo h TYR 44 Ca -0.13 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 2rlo h TYR 44 Cb 1.75 0.02 0.01 0.00 1.54 0.00 0.00 36.73 40.05 2rlo h TYR 44 CO 0.08 0.46 -0.38 0.82 -1.64 0.00 0.00 178.16 177.49 2rlo h ILE 45 N -0.63 0.00 0.00 1.81 2.04 -0.70 -3.17 117.51 116.86 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 0.55 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2rlo h ILE 45 CO 0.01 0.00 -0.31 0.45 0.00 0.00 0.00 178.15 178.30 2rlo h HIS 46 N -1.08 0.00 -3.42 1.37 3.86 -1.44 -3.49 115.15 110.96 2rlo h HIS 46 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 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 0.05 0.31 -0.03 0.43 0.86 0.00 0.00 177.93 179.55 2rlo n SER 47 N -3.39 -3.05 -4.10 2.45 7.64 0.26 -5.02 113.62 108.41 2rlo n SER 47 Ca 0.01 0.03 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 2rlo n SER 47 Cb 0.51 -1.78 -0.16 0.00 -1.01 0.00 0.00 64.21 61.77 2rlo n SER 47 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2rlo s THR 48 N -2.41 2.06 0.00 0.44 -4.23 0.51 -4.84 115.64 107.16 2rlo s THR 48 Ca 0.02 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 2rlo s THR 48 Cb -0.00 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.90 2rlo s THR 48 CO 0.14 0.41 0.00 1.41 -0.54 0.00 0.00 174.62 176.03 2rlo n HIS 49 N 4.59 0.00 -3.21 3.99 8.25 -1.26 -4.78 115.22 122.79 2rlo n HIS 49 Ca -0.19 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.20 2rlo n HIS 49 Cb 0.48 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.60 2rlo n HIS 49 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rlo n GLY 50 N 0.00 -0.25 3.75 -1.41 0.00 -1.26 -4.84 105.19 101.17 2rlo n GLY 50 Ca 0.00 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.30 4.38 -0.04 1.61 -0.14 -0.40 -4.83 119.74 119.02 2rlo s LYS 51 Ca 0.07 2.10 0.02 0.00 -1.36 0.00 0.00 55.97 56.80 2rlo s LYS 51 Cb -0.01 -3.16 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 2rlo s LYS 51 CO 0.20 -0.23 -0.09 -1.21 -0.76 0.00 0.00 175.35 173.26 2rlo s GLU 52 N -0.52 1.11 -0.21 1.68 2.02 -1.26 -0.19 118.70 121.33 2rlo s GLU 52 Ca 0.55 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.25 2rlo s GLU 52 Cb -0.37 -1.01 0.02 0.00 0.10 0.00 0.00 34.13 32.87 2rlo s GLU 52 CO 0.42 0.05 -0.15 1.41 0.02 0.00 0.00 175.26 177.01 2rlo s MET 53 N 0.45 2.94 0.21 1.61 -2.45 0.11 -4.96 119.30 117.20 2rlo s MET 53 Ca -0.08 -0.88 -0.32 0.00 -1.25 0.00 0.00 55.69 53.16 2rlo s MET 53 Cb -0.12 -2.73 -0.13 0.00 1.25 0.00 0.00 34.83 33.10 2rlo s MET 53 CO 0.01 -0.28 1.59 -3.47 1.05 0.00 0.00 175.02 173.92 2rlo n ASP 54 N 4.63 3.37 -1.90 1.11 2.03 -1.26 -2.17 116.55 122.36 2rlo n ASP 54 Ca -0.19 1.10 -0.13 0.00 0.52 0.00 0.00 54.79 56.08 2rlo n ASP 54 Cb 0.49 -1.49 0.19 0.00 -0.72 0.00 0.00 41.12 39.59 2rlo n ASP 54 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2rlo n LEU 55 N 3.15 5.71 -0.07 -2.67 4.77 -0.87 -4.39 117.00 122.63 2rlo n LEU 55 Ca 0.15 -3.01 -0.10 0.00 -0.03 0.00 0.00 56.01 53.02 2rlo n LEU 55 Cb 0.32 -0.74 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 2rlo n LEU 55 CO 0.63 0.85 0.00 -0.07 -1.33 0.00 0.00 177.39 177.47 2rlo h LEU 56 N 1.54 0.00 -5.26 2.23 3.38 -1.89 -3.24 115.31 112.08 2rlo h LEU 56 Ca 0.39 -0.46 -0.54 0.00 0.09 0.00 0.00 57.88 57.36 2rlo h LEU 56 Cb 2.31 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.64 2rlo h LEU 56 CO 0.77 0.89 -0.83 0.54 0.09 0.00 0.00 178.44 179.90 2rlo n ARG 57 N -4.63 2.59 -3.98 1.13 1.74 -1.26 -4.64 116.66 107.60 2rlo n ARG 57 Ca -0.10 -4.32 -0.22 0.00 -0.77 0.00 0.00 57.85 52.45 2rlo n ARG 57 Cb 0.33 -2.03 -0.04 0.00 -1.02 0.00 0.00 32.46 29.70 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 -4.12 4.10 0.09 0.55 -4.23 -1.26 -3.66 115.64 107.11 2rlo s THR 58 Ca 0.45 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 2rlo s THR 58 Cb 0.34 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 2rlo s THR 58 CO -0.12 -0.28 -0.12 0.42 -0.54 0.00 0.00 174.62 173.98 2rlo s THR 59 N -2.20 1.03 -0.12 3.99 -4.23 0.81 -4.95 115.64 109.98 2rlo s THR 59 Ca 0.36 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 2rlo s THR 59 Cb -0.07 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.55 2rlo s THR 59 CO 0.26 -0.42 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.08 2rlo s VAL 60 N -1.94 1.53 0.20 2.29 1.01 -1.26 -0.27 120.40 121.97 2rlo s VAL 60 Ca 0.02 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 2rlo s VAL 60 Cb -0.06 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.94 2rlo s VAL 60 CO 0.01 0.45 0.53 -1.59 0.00 0.00 0.00 175.10 174.51 2rlo s LYS 61 N 1.10 1.39 0.19 2.72 0.00 -0.92 -4.94 119.74 119.28 2rlo s LYS 61 Ca -0.04 -0.85 0.06 0.00 0.00 0.00 0.00 55.97 55.14 2rlo s LYS 61 Cb -0.14 0.53 -0.04 0.00 0.00 0.00 0.00 37.83 38.17 2rlo s LYS 61 CO -0.04 -0.59 0.11 0.14 0.00 0.00 0.00 175.35 174.97 2rlo s VAL 62 N -3.87 4.24 -0.75 1.79 -7.23 -1.26 0.62 120.40 113.94 2rlo s VAL 62 Ca 0.09 -1.29 -0.25 0.00 -1.81 0.00 0.00 61.98 58.72 2rlo s VAL 62 Cb -0.01 -3.19 0.05 0.00 0.56 0.00 0.00 36.38 33.78 2rlo s VAL 62 CO -0.03 -0.18 1.21 -2.16 -0.31 0.00 0.00 175.10 173.63 2rlo s PRO 63 N -3.28 3.22 0.00 4.82 0.04 -1.26 -4.47 135.00 134.08 2rlo s PRO 63 Ca 0.31 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.81 2rlo s PRO 63 Cb -0.09 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2rlo s PRO 63 CO 0.22 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.62 2rlo n GLY 64 N 5.51 1.65 3.24 0.56 0.00 -1.26 -4.96 105.19 109.93 2rlo n GLY 64 Ca 0.05 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2rlo n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rlo n LYS 65 N 0.00 -1.58 -2.51 1.61 4.76 -1.26 -4.98 118.16 114.19 2rlo n LYS 65 Ca 0.00 -0.45 -0.27 0.00 -2.87 0.00 0.00 58.31 54.72 2rlo n LYS 65 Cb 0.00 -1.63 0.01 0.00 -1.84 0.00 0.00 35.03 31.57 2rlo n LYS 65 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2rlo s ARG 66 N -3.34 3.35 -0.02 1.97 0.52 -1.26 -4.76 118.95 115.40 2rlo s ARG 66 Ca 0.53 0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 55.61 2rlo s ARG 66 Cb -0.09 -2.33 -0.08 0.00 0.52 0.00 0.00 34.95 32.98 2rlo s ARG 66 CO 0.64 -0.39 1.93 -1.25 0.02 0.00 0.00 175.30 176.25 2rlo s PRO 67 N -4.85 4.02 0.12 3.54 0.04 -1.26 -4.87 135.00 131.73 2rlo s PRO 67 Ca 0.50 2.43 -0.33 0.00 0.04 0.00 0.00 61.00 63.64 2rlo s PRO 67 Cb -0.10 -4.15 -0.12 0.00 0.04 0.00 0.00 34.50 30.16 2rlo s PRO 67 CO 0.45 -1.08 1.74 -2.30 0.04 0.00 0.00 177.00 175.85 2rlo n PRO 68 N 7.62 2.47 -4.21 0.56 -0.02 -1.26 -4.99 135.00 135.16 2rlo n PRO 68 Ca 0.21 0.90 -0.16 0.00 -2.02 0.00 0.00 63.50 62.42 2rlo n PRO 68 Cb 0.42 -2.73 -0.11 0.00 -0.02 0.00 0.00 33.50 31.06 2rlo n PRO 68 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2rlo s ARG 69 N 2.07 0.94 0.07 -0.52 1.81 -1.26 -5.06 118.95 117.00 2rlo s ARG 69 Ca 0.81 -1.22 -0.16 0.00 -1.72 0.00 0.00 55.73 53.44 2rlo s ARG 69 Cb -0.59 -0.70 -0.15 0.00 -0.45 0.00 0.00 34.95 33.07 2rlo s ARG 69 CO 0.39 0.12 1.30 0.00 -0.68 0.00 0.00 175.30 176.43 2rlo h ALA 70 N 3.45 0.29 0.00 2.13 0.00 -2.04 -3.44 119.26 119.66 2rlo h ALA 70 Ca -0.38 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2rlo h ALA 70 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2rlo h ALA 70 CO 0.53 0.46 0.00 -0.89 0.00 0.00 0.00 179.25 179.35 2rlo n ILE 71 N -4.18 0.21 -2.16 0.00 -0.00 -1.26 -5.14 119.36 106.82 2rlo n ILE 71 Ca -0.07 0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2rlo n ILE 71 Cb 0.59 -0.80 0.00 0.00 -0.00 0.00 0.00 39.64 39.43 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 -2.75 -9.03 -1.27 4.38 2.88 -1.26 -4.84 113.62 101.73 2rlo n SER 72 Ca 0.00 1.56 0.05 0.00 -1.33 0.00 0.00 58.87 59.15 2rlo n SER 72 Cb 0.00 -5.01 0.25 0.00 -0.75 0.00 0.00 64.21 58.70 2rlo n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rlo n ALA 73 N 1.81 3.16 -2.05 -1.46 0.00 -1.26 -4.93 120.51 115.78 2rlo n ALA 73 Ca 0.00 -1.13 -0.26 0.00 0.00 0.00 0.00 53.44 52.04 2rlo n ALA 73 Cb 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.44 2rlo n ALA 73 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2rlo s PHE 74 N -1.94 3.19 -0.39 0.00 5.36 -1.26 -4.71 117.98 118.23 2rlo s PHE 74 Ca 0.34 0.61 -0.12 0.00 -0.96 0.00 0.00 56.93 56.81 2rlo s PHE 74 Cb 0.24 -2.83 0.01 0.00 -0.34 0.00 0.00 43.02 40.11 2rlo s PHE 74 CO 0.13 -0.94 0.41 0.41 -1.46 0.00 0.00 175.22 173.77 2rlo n GLY 75 N -2.65 -2.19 3.17 13.12 0.00 -1.26 -4.97 105.19 110.42 2rlo n GLY 75 Ca 0.05 1.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.81 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 0.04 -2.31 -3.20 1.61 -0.02 -1.26 -4.94 135.00 124.92 2rlo n PRO 76 Ca 0.08 -0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 60.49 2rlo n PRO 76 Cb 0.33 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 2rlo n PRO 76 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2rlo s SER 77 N -2.05 6.65 0.05 2.55 1.04 -1.26 -4.95 113.70 115.71 2rlo s SER 77 Ca 0.50 0.78 0.07 0.00 0.48 0.00 0.00 55.95 57.77 2rlo s SER 77 Cb -0.10 -2.32 -0.23 0.00 0.10 0.00 0.00 66.02 63.47 2rlo s SER 77 CO 0.52 -0.18 1.01 0.00 0.98 0.00 0.00 173.24 175.57 2rlo h ALA 78 N 7.32 0.46 -5.09 5.32 0.00 -1.94 -3.50 119.26 121.83 2rlo h ALA 78 Ca -0.34 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.45 2rlo h ALA 78 Cb 1.16 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2rlo h ALA 78 CO 0.75 1.33 -0.95 0.43 0.00 0.00 0.00 179.25 180.81 2rlo n SER 79 N -3.28 -7.90 0.00 0.00 7.64 -1.26 -4.72 113.62 104.10 2rlo n SER 79 Ca -0.08 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2rlo n SER 79 Cb 1.00 -5.25 0.00 0.00 -1.01 0.00 0.00 64.21 58.94 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 0.65 4.17 3.66 0.23 0.00 -1.26 -5.10 105.19 107.55 2rlo n GLY 80 Ca 0.00 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 2rlo n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rlo s SER 81 N 0.00 6.82 0.54 1.61 0.01 -1.26 -5.01 113.70 116.41 2rlo s SER 81 Ca 0.00 1.94 0.08 0.00 1.31 0.00 0.00 55.95 59.28 2rlo s SER 81 Cb 0.00 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.75 2rlo s SER 81 CO 0.00 -0.83 0.60 0.00 0.41 0.00 0.00 173.24 173.42 2rlo s ALA 82 N 3.68 4.55 -0.46 1.44 0.00 -1.26 -4.67 121.76 125.04 2rlo s ALA 82 Ca 0.63 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2rlo s ALA 82 Cb -0.27 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.69 2rlo s ALA 82 CO 0.21 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2rlo n GLY 83 N -1.99 0.43 0.02 0.00 0.00 -1.26 -4.91 105.19 97.49 2rlo n GLY 83 Ca 0.08 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.09 1.10 -0.30 1.61 6.02 -1.26 -5.05 117.38 117.41 2rlo n GLN 84 Ca -0.05 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2rlo n GLN 84 Cb 0.37 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.53 2rlo n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rlo n ALA 85 N -2.50 0.00 -2.78 -1.58 0.00 -1.26 -4.42 120.51 107.98 2rlo n ALA 85 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2rlo n ALA 85 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 2rlo n ALA 85 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2rlo n GLU 86 N -0.76 -2.65 -0.03 0.00 0.28 -1.26 -4.81 120.64 111.41 2rlo n GLU 86 Ca 0.00 0.30 -0.11 0.00 -0.16 0.00 0.00 57.16 57.19 2rlo n GLU 86 Cb 0.00 -4.87 -0.05 0.00 1.43 0.00 0.00 31.44 27.95 2rlo n GLU 86 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2rlo h GLU 87 N -0.23 0.20 -2.86 3.44 3.07 -1.97 -3.46 114.58 112.76 2rlo h GLU 87 Ca -0.22 -0.03 -0.34 0.00 -0.50 0.00 0.00 59.36 58.28 2rlo h GLU 87 Cb 1.15 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.98 2rlo h GLU 87 CO 0.27 0.23 -0.40 0.39 -1.40 0.00 0.00 179.01 178.10 2rlo n GLU 88 N -4.93 -1.80 -3.55 2.33 1.02 -1.26 -4.93 120.64 107.51 2rlo n GLU 88 Ca -0.05 0.86 -0.41 0.00 -0.02 0.00 0.00 57.16 57.54 2rlo n GLU 88 Cb 0.08 -5.42 -0.09 0.00 -0.02 0.00 0.00 31.44 25.99 2rlo n GLU 88 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2rlo s ASN 89 N -2.13 5.74 -0.27 1.62 3.04 -1.26 -5.04 114.94 116.63 2rlo s ASN 89 Ca 0.00 -1.61 0.01 0.00 0.04 0.00 0.00 52.86 51.30 2rlo s ASN 89 Cb 0.00 -2.02 0.08 0.00 -1.54 0.00 0.00 41.25 37.76 2rlo s ASN 89 CO 0.00 -0.61 -0.01 0.72 -3.04 0.00 0.00 177.10 174.17 2rlo s PHE 90 N 1.44 2.55 -0.03 0.43 -0.71 -1.26 -5.09 117.98 115.30 2rlo s PHE 90 Ca 0.04 -2.00 -0.01 0.00 -1.04 0.00 0.00 56.93 53.92 2rlo s PHE 90 Cb -0.24 -1.87 0.03 0.00 -1.21 0.00 0.00 43.02 39.73 2rlo s PHE 90 CO 0.02 -0.83 0.06 -1.21 -1.34 0.00 0.00 175.22 171.92 2rlo s GLU 91 N 1.34 -0.01 0.04 1.99 8.01 -1.26 -3.38 118.70 125.43 2rlo s GLU 91 Ca 0.00 0.24 0.07 0.00 0.01 0.00 0.00 54.97 55.29 2rlo s GLU 91 Cb -0.19 -0.23 -0.02 0.00 -4.31 0.00 0.00 34.13 29.38 2rlo s GLU 91 CO -0.10 -0.17 -0.20 -0.59 0.01 0.00 0.00 175.26 174.21 2rlo s PHE 92 N 1.12 1.77 -0.03 1.61 -0.71 -0.65 -4.52 117.98 116.56 2rlo s PHE 92 Ca -0.09 -0.37 0.01 0.00 -1.04 0.00 0.00 56.93 55.44 2rlo s PHE 92 Cb -0.13 -1.06 -0.03 0.00 -1.21 0.00 0.00 43.02 40.59 2rlo s PHE 92 CO -0.04 0.08 -0.04 -0.51 -1.34 0.00 0.00 175.22 173.38 2rlo s LEU 93 N -1.16 3.33 -0.34 -1.99 1.02 0.20 -1.52 118.68 118.22 2rlo s LEU 93 Ca 0.07 -0.02 -0.05 0.00 0.02 0.00 0.00 54.13 54.14 2rlo s LEU 93 Cb -0.09 -1.83 0.05 0.00 0.02 0.00 0.00 46.19 44.34 2rlo s LEU 93 CO 0.02 0.32 0.10 -0.63 0.02 0.00 0.00 176.35 176.18 2rlo s ILE 94 N -0.95 3.58 -0.19 -0.59 -1.09 0.13 -2.18 121.20 119.92 2rlo s ILE 94 Ca 0.16 -1.31 -0.09 0.00 -2.23 0.00 0.00 60.65 57.17 2rlo s ILE 94 Cb -0.11 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 2rlo s ILE 94 CO 0.06 -0.24 0.13 -0.69 -1.23 0.00 0.00 174.94 172.96 2rlo s VAL 95 N 1.34 5.39 0.26 2.92 1.01 0.63 0.31 120.40 132.27 2rlo s VAL 95 Ca -0.01 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2rlo s VAL 95 Cb -0.20 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.78 2rlo s VAL 95 CO 0.01 0.47 0.36 -0.24 0.00 0.00 0.00 175.10 175.70 2rlo n SER 96 N 3.27 0.80 0.11 3.32 2.88 0.98 -0.13 113.62 124.85 2rlo n SER 96 Ca -0.17 -1.60 0.12 0.00 -1.33 0.00 0.00 58.87 55.90 2rlo n SER 96 Cb 0.52 -0.20 0.24 0.00 -0.75 0.00 0.00 64.21 64.02 2rlo n SER 96 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2rlo h SER 97 N -0.03 0.00 -0.65 -3.46 0.87 -1.87 -3.26 113.55 105.16 2rlo h SER 97 Ca -0.12 -0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.21 2rlo h SER 97 Cb 0.52 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.38 2rlo h SER 97 CO 0.16 0.03 0.18 1.07 -0.53 0.00 0.00 176.83 177.75 2rlo n THR 98 N -2.43 2.83 0.00 2.23 5.66 -1.26 -4.91 114.28 116.40 2rlo n THR 98 Ca 0.04 -1.70 0.00 0.00 -3.05 0.00 0.00 64.05 59.34 2rlo n THR 98 Cb 0.47 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.13 3.04 3.70 1.09 0.00 -1.23 -4.97 105.19 106.69 2rlo n GLY 99 Ca 0.37 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.86 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 1.66 -4.06 1.61 7.27 -1.26 -4.64 117.38 115.97 2rlo n GLN 100 Ca 0.00 0.61 -0.32 0.00 0.07 0.00 0.00 57.00 57.36 2rlo n GLN 100 Cb 0.00 -2.38 -0.16 0.00 2.41 0.00 0.00 30.24 30.12 2rlo n GLN 100 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2rlo s THR 101 N 3.86 1.93 -0.49 1.69 2.01 -1.25 -0.01 115.64 123.37 2rlo s THR 101 Ca 0.96 -1.18 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 2rlo s THR 101 Cb -0.88 -1.93 0.06 0.00 0.01 0.00 0.00 72.50 69.76 2rlo s THR 101 CO 0.59 0.22 0.51 0.26 -0.69 0.00 0.00 174.62 175.51 2rlo s TRP 102 N 1.27 3.15 -0.33 4.92 0.52 0.15 -4.86 118.94 123.77 2rlo s TRP 102 Ca -0.02 -0.73 -0.17 0.00 0.02 0.00 0.00 56.10 55.21 2rlo s TRP 102 Cb -0.16 -3.33 -0.01 0.00 -1.15 0.00 0.00 33.47 28.81 2rlo s TRP 102 CO -0.09 -0.91 0.44 -1.58 0.02 0.00 0.00 176.95 174.84 2rlo s HIS 103 N 2.12 3.21 0.23 -1.98 2.46 -1.26 0.19 115.29 120.26 2rlo s HIS 103 Ca 0.09 0.20 0.09 0.00 0.47 0.00 0.00 55.06 55.91 2rlo s HIS 103 Cb -0.22 -2.76 -0.05 0.00 -0.13 0.00 0.00 32.58 29.42 2rlo s HIS 103 CO 0.09 -0.43 -0.15 -0.06 -2.47 0.00 0.00 174.74 171.73 2rlo s PHE 104 N 2.21 1.88 -0.25 3.88 0.08 -0.58 -4.36 117.98 120.85 2rlo s PHE 104 Ca 0.16 -0.53 0.01 0.00 0.12 0.00 0.00 56.93 56.69 2rlo s PHE 104 Cb -0.16 -0.89 0.07 0.00 -0.57 0.00 0.00 43.02 41.47 2rlo s PHE 104 CO 0.12 0.44 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.64 2rlo s GLU 105 N -3.62 1.53 -0.09 0.44 -6.30 -0.41 -1.64 118.70 108.60 2rlo s GLU 105 Ca 0.25 -1.05 -0.35 0.00 -2.50 0.00 0.00 54.97 51.32 2rlo s GLU 105 Cb -0.01 -2.58 -0.13 0.00 0.00 0.00 0.00 34.13 31.41 2rlo s GLU 105 CO 0.09 -0.65 1.82 0.00 0.02 0.00 0.00 175.26 176.55 2rlo n ALA 106 N 4.66 0.72 -0.01 6.30 0.00 -1.22 -2.30 120.51 128.66 2rlo n ALA 106 Ca -0.10 0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.69 2rlo n ALA 106 Cb 0.44 -2.44 0.41 0.00 0.00 0.00 0.00 19.45 17.86 2rlo n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rlo h ALA 107 N 8.53 1.68 -3.83 0.00 0.00 -1.92 -3.42 119.26 120.29 2rlo h ALA 107 Ca -0.48 -0.04 -0.68 0.00 0.00 0.00 0.00 54.91 53.71 2rlo h ALA 107 Cb 1.28 -0.17 -0.20 0.00 0.00 0.00 0.00 17.79 18.69 2rlo h ALA 107 CO 0.94 0.29 -0.83 -1.54 0.00 0.00 0.00 179.25 178.12 2rlo s SER 108 N -6.67 3.66 0.47 0.00 1.04 -1.26 -5.02 113.70 105.92 2rlo s SER 108 Ca -0.08 -0.61 0.16 0.00 0.48 0.00 0.00 55.95 55.90 2rlo s SER 108 Cb 0.17 -0.43 1.13 0.00 0.10 0.00 0.00 66.02 66.99 2rlo s SER 108 CO 0.73 0.19 2.04 -0.26 0.98 0.00 0.00 173.24 176.93 2rlo h PHE 109 N 3.90 0.00 -0.03 5.02 0.04 -1.99 -1.94 116.94 121.94 2rlo h PHE 109 Ca -0.50 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.10 2rlo h PHE 109 Cb 1.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 2rlo h PHE 109 CO 0.59 0.13 -0.75 1.49 -0.60 0.00 0.00 178.31 179.17 2rlo h GLU 110 N 0.00 0.21 -0.08 1.51 4.57 -1.95 -3.25 114.58 115.59 2rlo h GLU 110 Ca -0.00 -0.19 -0.18 0.00 -1.18 0.00 0.00 59.36 57.81 2rlo h GLU 110 Cb 0.25 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2rlo h GLU 110 CO 0.02 0.87 -0.71 0.93 -1.18 0.00 0.00 179.01 178.93 2rlo h GLU 111 N 0.14 0.39 -0.64 1.92 3.07 -1.75 -2.44 114.58 115.27 2rlo h GLU 111 Ca -0.03 -0.31 0.06 0.00 -0.50 0.00 0.00 59.36 58.58 2rlo h GLU 111 Cb 1.32 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 29.24 2rlo h GLU 111 CO 0.11 0.95 0.34 0.07 -1.40 0.00 0.00 179.01 179.08 2rlo h ARG 112 N 0.27 0.61 -0.00 2.33 -0.00 -1.48 0.28 114.38 116.39 2rlo h ARG 112 Ca -0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.98 59.91 2rlo h ARG 112 Cb 1.28 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 31.11 2rlo h ARG 112 CO 0.12 0.40 -0.03 0.22 -0.00 0.00 0.00 179.97 180.68 2rlo h ASP 113 N 0.63 0.03 -0.20 0.08 1.82 -1.66 -2.37 116.42 114.75 2rlo h ASP 113 Ca 0.29 -0.74 0.06 0.00 -0.39 0.00 0.00 57.03 56.24 2rlo h ASP 113 Cb 0.20 -0.01 -0.06 0.00 0.68 0.00 0.00 39.33 40.14 2rlo h ASP 113 CO -0.19 0.77 -0.21 0.00 -1.61 0.00 0.00 179.24 178.00 2rlo h ALA 114 N 0.27 -0.10 0.11 -0.78 0.00 -1.24 0.32 119.26 117.83 2rlo h ALA 114 Ca -0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2rlo h ALA 114 Cb 0.77 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2rlo h ALA 114 CO 0.01 -0.64 -0.20 -1.49 0.00 0.00 0.00 179.25 176.93 2rlo h TRP 115 N -0.23 -0.52 -0.73 0.00 4.06 -0.54 1.13 115.95 119.12 2rlo h TRP 115 Ca 0.12 0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.20 2rlo h TRP 115 Cb 0.41 0.22 -0.05 0.00 -1.00 0.00 0.00 29.16 28.74 2rlo h TRP 115 CO -0.35 -0.29 0.48 0.28 -3.56 0.00 0.00 178.44 175.00 2rlo h VAL 116 N -0.38 0.88 0.00 1.49 2.07 -0.89 0.16 116.25 119.58 2rlo h VAL 116 Ca 0.03 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.18 2rlo h VAL 116 Cb 0.40 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2rlo h VAL 116 CO -0.11 0.10 -0.88 1.56 0.02 0.00 0.00 177.57 178.26 2rlo h GLN 117 N 0.54 0.00 0.05 1.57 7.50 0.70 -2.44 115.11 123.03 2rlo h GLN 117 Ca 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.49 2rlo h GLN 117 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.15 2rlo h GLN 117 CO -0.12 0.88 -0.02 0.00 -1.50 0.00 0.00 178.83 178.07 2rlo h ALA 118 N 1.12 -0.07 -0.23 3.87 0.00 0.40 0.59 119.26 124.94 2rlo h ALA 118 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2rlo h ALA 118 Cb 1.64 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2rlo h ALA 118 CO 0.11 -0.37 0.07 0.82 0.00 0.00 0.00 179.25 179.88 2rlo h ILE 119 N -0.40 1.20 -0.19 0.00 5.03 -1.12 0.13 117.51 122.16 2rlo h ILE 119 Ca -0.01 -0.63 -0.06 0.00 -0.12 0.00 0.00 64.86 64.05 2rlo h ILE 119 Cb 0.36 1.18 -0.01 0.00 -3.03 0.00 0.00 36.82 35.32 2rlo h ILE 119 CO 0.01 0.20 -0.14 -0.33 -0.68 0.00 0.00 178.15 177.21 2rlo h GLU 120 N 0.20 0.30 -0.09 2.37 4.39 -1.43 -1.61 114.58 118.71 2rlo h GLU 120 Ca 0.07 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2rlo h GLU 120 Cb 0.25 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2rlo h GLU 120 CO -0.00 0.45 -0.07 0.77 -1.16 0.00 0.00 179.01 179.00 2rlo h SER 121 N 0.28 0.21 -0.24 1.42 0.02 0.61 -1.56 113.55 114.30 2rlo h SER 121 Ca 0.06 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 2rlo h SER 121 Cb 0.43 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2rlo h SER 121 CO 0.03 0.63 0.13 1.56 -1.14 0.00 0.00 176.83 178.04 2rlo h GLN 122 N -0.20 0.36 -0.13 3.45 7.50 -0.54 -1.24 115.11 124.31 2rlo h GLN 122 Ca 0.02 -0.03 -0.18 0.00 0.50 0.00 0.00 58.65 58.95 2rlo h GLN 122 Cb 0.56 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.01 2rlo h GLN 122 CO 0.02 0.28 -0.68 0.82 -1.50 0.00 0.00 178.83 177.77 2rlo h ILE 123 N 0.37 1.34 -0.33 2.54 2.04 -1.18 -1.34 117.51 120.94 2rlo h ILE 123 Ca 0.10 -1.99 -0.13 0.00 1.00 0.00 0.00 64.86 63.83 2rlo h ILE 123 Cb 0.03 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2rlo h ILE 123 CO -0.01 0.61 -0.32 0.25 0.00 0.00 0.00 178.15 178.68 2rlo h LEU 124 N 0.37 0.74 -0.38 1.44 5.85 -0.40 0.19 115.31 123.12 2rlo h LEU 124 Ca -0.02 -0.30 -0.15 0.00 0.84 0.00 0.00 57.88 58.24 2rlo h LEU 124 Cb 1.25 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2rlo h LEU 124 CO 0.12 1.00 -0.74 0.00 -0.34 0.00 0.00 178.44 178.49 2rlo h ALA 125 N 1.04 0.69 0.04 1.25 0.00 -1.23 -2.83 119.26 118.22 2rlo h ALA 125 Ca 0.07 -0.67 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 2rlo h ALA 125 Cb 0.83 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2rlo h ALA 125 CO 0.07 0.92 -1.09 1.03 0.00 0.00 0.00 179.25 180.18 2rlo h SER 126 N 0.00 0.12 0.61 0.00 0.87 -1.06 -3.26 113.55 110.83 2rlo h SER 126 Ca -0.01 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.27 2rlo h SER 126 Cb 1.38 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 2rlo h SER 126 CO 0.10 1.10 -0.69 0.25 -0.53 0.00 0.00 176.83 177.06 2rlo h LEU 127 N 0.02 0.08 0.00 2.23 7.12 -0.97 -3.49 115.31 120.30 2rlo h LEU 127 Ca -0.05 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.90 2rlo h LEU 127 Cb 1.84 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.94 2rlo h LEU 127 CO 0.15 0.75 0.00 0.00 -0.13 0.00 0.00 178.44 179.21