#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l5r s MET 2 N 0.00 0.64 -0.11 -0.52 1.75 -0.73 -0.86 119.30 119.46 3l5r s MET 2 Ca 0.00 0.07 0.03 0.00 -1.25 0.00 0.00 55.69 54.54 3l5r s MET 2 Cb 0.00 -0.94 0.00 0.00 2.84 0.00 0.00 34.83 36.73 3l5r s MET 2 CO 0.00 -0.26 -0.22 0.12 -0.65 0.00 0.00 175.02 174.00 3l5r s PHE 3 N 1.78 2.62 -0.08 4.11 5.36 0.13 -1.42 117.98 130.48 3l5r s PHE 3 Ca 0.02 -1.08 0.04 0.00 -0.96 0.00 0.00 56.93 54.96 3l5r s PHE 3 Cb -0.13 -1.75 -0.00 0.00 -0.34 0.00 0.00 43.02 40.80 3l5r s PHE 3 CO -0.04 -0.44 -0.23 0.42 -1.46 0.00 0.00 175.22 173.46 3l5r s ILE 4 N 0.46 1.94 -0.19 3.12 -1.09 -0.42 -0.99 121.20 124.03 3l5r s ILE 4 Ca -0.15 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.31 3l5r s ILE 4 Cb -0.17 -1.67 0.03 0.00 -1.58 0.00 0.00 42.46 39.06 3l5r s ILE 4 CO 0.06 0.54 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.44 3l5r s VAL 5 N 0.23 2.13 -0.19 2.92 1.01 0.37 -1.50 120.40 125.37 3l5r s VAL 5 Ca -0.14 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 3l5r s VAL 5 Cb -0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3l5r s VAL 5 CO 0.07 0.44 -0.01 0.20 0.00 0.00 0.00 175.10 175.81 3l5r s ASN 6 N 1.27 4.89 0.04 3.32 0.01 -0.24 0.03 114.94 124.26 3l5r s ASN 6 Ca 0.03 -0.16 -0.07 0.00 -0.71 0.00 0.00 52.86 51.95 3l5r s ASN 6 Cb -0.14 -1.83 -0.00 0.00 0.41 0.00 0.00 41.25 39.69 3l5r s ASN 6 CO -0.11 0.10 0.14 0.28 -1.51 0.00 0.00 177.10 176.01 3l5r s THR 7 N 0.76 0.12 -1.82 1.60 -1.32 -0.49 -0.66 115.64 113.83 3l5r s THR 7 Ca -0.00 -1.01 0.28 0.00 -1.21 0.00 0.00 61.69 59.75 3l5r s THR 7 Cb -0.14 -0.92 0.40 0.00 -1.51 0.00 0.00 72.50 70.33 3l5r s THR 7 CO 0.02 -0.56 1.73 -0.46 -2.21 0.00 0.00 174.62 173.14 3l5r n ASN 8 N 0.70 0.84 -4.76 8.08 6.94 -1.24 -1.16 115.26 124.67 3l5r n ASN 8 Ca -0.19 -0.85 -0.41 0.00 -0.02 0.00 0.00 54.58 53.11 3l5r n ASN 8 Cb 0.59 0.03 -0.01 0.00 -2.36 0.00 0.00 39.78 38.03 3l5r n ASN 8 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3l5r n VAL 9 N -0.67 1.42 -1.74 3.53 0.31 -1.26 -4.18 118.33 115.74 3l5r n VAL 9 Ca 0.14 -0.35 -0.35 0.00 -0.01 0.00 0.00 64.34 63.77 3l5r n VAL 9 Cb 0.31 -1.99 0.06 0.00 -0.91 0.00 0.00 33.84 31.32 3l5r n VAL 9 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3l5r s PRO 10 N -1.15 2.62 0.39 5.55 0.04 -1.26 -0.87 135.00 140.32 3l5r s PRO 10 Ca 0.60 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.38 3l5r s PRO 10 Cb -0.48 -1.90 0.80 0.00 0.04 0.00 0.00 34.50 32.96 3l5r s PRO 10 CO 0.55 -1.45 2.04 -0.09 0.04 0.00 0.00 177.00 178.09 3l5r h ARG 11 N 0.23 0.63 0.00 4.56 2.43 -1.92 -1.37 114.38 118.94 3l5r h ARG 11 Ca -0.48 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 3l5r h ARG 11 Cb 1.28 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3l5r h ARG 11 CO 0.53 0.41 -0.02 0.00 -1.51 0.00 0.00 179.97 179.38 3l5r h ALA 12 N 1.69 1.03 -0.00 2.80 0.00 -2.03 -1.89 119.26 120.86 3l5r h ALA 12 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3l5r h ALA 12 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3l5r h ALA 12 CO -0.04 0.03 -0.02 0.43 0.00 0.00 0.00 179.25 179.65 3l5r n SER 13 N -3.15 0.29 -4.61 0.00 7.64 -0.52 -4.72 113.62 108.55 3l5r n SER 13 Ca -0.01 -0.86 -0.42 0.00 1.01 0.00 0.00 58.87 58.59 3l5r n SER 13 Cb 0.25 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.35 3l5r n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3l5r s VAL 14 N -2.17 4.69 0.44 0.44 1.01 -0.71 -4.72 120.40 119.38 3l5r s VAL 14 Ca 0.40 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 63.35 3l5r s VAL 14 Cb 0.21 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 3l5r s VAL 14 CO 0.40 -0.39 1.03 -2.16 0.00 0.00 0.00 175.10 173.98 3l5r s PRO 15 N 3.20 4.02 0.19 2.72 0.04 -1.26 -4.97 135.00 138.93 3l5r s PRO 15 Ca 0.35 1.39 -0.32 0.00 0.04 0.00 0.00 61.00 62.45 3l5r s PRO 15 Cb -0.13 -2.30 -0.15 0.00 0.04 0.00 0.00 34.50 31.96 3l5r s PRO 15 CO 0.15 -0.25 1.24 -0.25 0.04 0.00 0.00 177.00 177.94 3l5r n ASP 16 N -0.53 1.76 0.00 6.66 10.43 -1.26 -2.26 116.55 131.34 3l5r n ASP 16 Ca 0.07 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.57 3l5r n ASP 16 Cb 0.51 -1.28 0.00 0.00 1.84 0.00 0.00 41.12 42.20 3l5r n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3l5r n GLY 17 N 2.09 0.09 0.16 0.44 0.00 -1.26 -4.98 105.19 101.73 3l5r n GLY 17 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 3l5r n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3l5r h PHE 18 N 0.00 0.46 -0.57 1.61 3.57 -1.84 -1.08 116.94 119.09 3l5r h PHE 18 Ca 0.00 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 3l5r h PHE 18 Cb 0.00 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3l5r h PHE 18 CO 0.00 0.44 0.22 -0.07 -2.23 0.00 0.00 178.31 176.67 3l5r h LEU 19 N 0.35 0.76 -0.35 0.59 3.38 -1.94 -1.78 115.31 116.32 3l5r h LEU 19 Ca 0.10 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 3l5r h LEU 19 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3l5r h LEU 19 CO -0.01 0.69 -0.64 0.28 0.09 0.00 0.00 178.44 178.85 3l5r h SER 20 N 0.82 0.77 -0.58 -0.43 0.02 -1.88 -1.48 113.55 110.79 3l5r h SER 20 Ca 0.19 -0.45 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 3l5r h SER 20 Cb 0.17 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3l5r h SER 20 CO -0.02 1.22 0.01 -0.08 -1.14 0.00 0.00 176.83 176.82 3l5r h GLU 21 N 0.49 1.01 -0.38 3.45 4.81 -0.94 -0.31 114.58 122.71 3l5r h GLU 21 Ca -0.01 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3l5r h GLU 21 Cb 1.23 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3l5r h GLU 21 CO 0.13 0.99 0.16 -0.07 -0.73 0.00 0.00 179.01 179.49 3l5r h LEU 22 N 0.90 0.52 -0.39 1.64 3.38 -1.27 -0.42 115.31 119.67 3l5r h LEU 22 Ca 0.16 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3l5r h LEU 22 Cb 0.53 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3l5r h LEU 22 CO 0.03 0.53 0.17 0.74 0.09 0.00 0.00 178.44 180.00 3l5r h THR 23 N 0.47 0.94 -0.14 0.22 2.02 -1.01 -0.95 112.91 114.46 3l5r h THR 23 Ca 0.13 -0.12 -0.15 0.00 0.77 0.00 0.00 66.41 67.04 3l5r h THR 23 Cb 0.17 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3l5r h THR 23 CO -0.01 0.06 -0.48 1.56 0.37 0.00 0.00 175.52 177.02 3l5r h GLN 24 N 0.35 0.57 -0.05 6.66 4.20 -0.87 -2.01 115.11 123.96 3l5r h GLN 24 Ca 0.17 -0.43 -0.14 0.00 0.06 0.00 0.00 58.65 58.31 3l5r h GLN 24 Cb 0.11 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3l5r h GLN 24 CO -0.14 1.05 -0.59 1.96 -0.67 0.00 0.00 178.83 180.44 3l5r h GLN 25 N 0.21 0.18 -0.02 1.46 1.08 -1.05 -2.05 115.11 114.92 3l5r h GLN 25 Ca -0.02 -0.12 -0.15 0.00 -1.45 0.00 0.00 58.65 56.91 3l5r h GLN 25 Cb 1.11 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.54 3l5r h GLN 25 CO 0.10 0.72 -0.66 -0.07 -0.95 0.00 0.00 178.83 177.97 3l5r h LEU 26 N 0.13 0.11 -0.21 1.46 3.38 -1.19 -0.63 115.31 118.36 3l5r h LEU 26 Ca -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3l5r h LEU 26 Cb 1.08 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3l5r h LEU 26 CO 0.09 0.74 0.09 0.00 0.09 0.00 0.00 178.44 179.45 3l5r h ALA 27 N 1.26 0.27 0.15 1.53 0.00 -1.13 -1.80 119.26 119.55 3l5r h ALA 27 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3l5r h ALA 27 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3l5r h ALA 27 CO 0.09 -0.14 -0.16 1.96 0.00 0.00 0.00 179.25 181.01 3l5r h GLN 28 N 0.19 -0.33 -0.23 0.00 1.08 -1.23 0.31 115.11 114.89 3l5r h GLN 28 Ca 0.07 0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 3l5r h GLN 28 Cb 0.16 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3l5r h GLN 28 CO -0.01 -0.22 -0.28 0.00 -0.95 0.00 0.00 178.83 177.37 3l5r h ALA 29 N 0.47 1.08 0.00 3.87 0.00 -1.06 -2.84 119.26 120.78 3l5r h ALA 29 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3l5r h ALA 29 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3l5r h ALA 29 CO -0.04 0.57 -1.15 0.25 0.00 0.00 0.00 179.25 178.88 3l5r n THR 30 N -4.10 0.19 -1.06 0.00 -2.24 -0.68 -4.96 114.28 101.43 3l5r n THR 30 Ca -0.01 -0.30 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 3l5r n THR 30 Cb 0.42 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 3l5r n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3l5r n GLY 31 N 1.34 0.54 3.86 3.38 0.00 0.07 -4.97 105.19 109.42 3l5r n GLY 31 Ca 0.01 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 3l5r n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l5r s LYS 32 N -1.38 3.15 0.49 1.61 1.02 -1.06 -5.02 119.74 118.55 3l5r s LYS 32 Ca 0.00 -0.69 -0.23 0.00 0.02 0.00 0.00 55.97 55.07 3l5r s LYS 32 Cb 0.00 -2.82 -0.07 0.00 -0.52 0.00 0.00 37.83 34.42 3l5r s LYS 32 CO 0.00 0.53 1.31 -1.25 -0.92 0.00 0.00 175.35 175.02 3l5r s PRO 33 N -2.96 3.51 0.61 -1.68 0.04 -1.26 -4.50 135.00 128.76 3l5r s PRO 33 Ca 0.32 2.14 0.34 0.00 0.04 0.00 0.00 61.00 63.84 3l5r s PRO 33 Cb -0.11 -2.44 1.99 0.00 0.04 0.00 0.00 34.50 33.98 3l5r s PRO 33 CO 0.26 -0.86 2.29 -1.35 0.04 0.00 0.00 177.00 177.37 3l5r h PRO 34 N 1.94 0.00 0.00 0.56 0.11 -1.91 -2.08 132.00 130.62 3l5r h PRO 34 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3l5r h PRO 34 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3l5r h PRO 34 CO 0.59 0.00 0.00 0.37 -0.21 0.00 0.00 178.00 178.76 3l5r h GLN 35 N 0.00 0.00 -0.05 1.05 4.15 -1.96 -2.60 115.11 115.70 3l5r h GLN 35 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3l5r h GLN 35 Cb 0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3l5r h GLN 35 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.56 3l5r n TYR 36 N -2.79 0.03 -2.93 3.99 4.01 -0.78 -4.94 117.16 113.75 3l5r n TYR 36 Ca 0.01 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 3l5r n TYR 36 Cb 0.29 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.28 3l5r n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3l5r s ILE 37 N -1.53 4.92 -0.09 -0.72 -1.09 -0.98 -3.25 121.20 118.45 3l5r s ILE 37 Ca 0.22 1.57 -0.00 0.00 -2.23 0.00 0.00 60.65 60.22 3l5r s ILE 37 Cb 0.16 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 3l5r s ILE 37 CO 0.23 0.08 -0.08 0.00 -1.23 0.00 0.00 174.94 173.95 3l5r s ALA 38 N 1.85 2.91 0.02 9.38 0.00 -0.04 -5.00 121.76 130.89 3l5r s ALA 38 Ca 0.38 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.49 3l5r s ALA 38 Cb -0.17 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 3l5r s ALA 38 CO 0.14 0.45 -0.10 0.08 0.00 0.00 0.00 175.76 176.32 3l5r s VAL 39 N -0.39 0.78 -0.11 0.00 1.01 -1.26 -0.69 120.40 119.74 3l5r s VAL 39 Ca 0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 3l5r s VAL 39 Cb -0.12 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.60 3l5r s VAL 39 CO 0.02 0.01 0.21 -2.28 0.00 0.00 0.00 175.10 173.06 3l5r s HIS 40 N -0.65 -0.29 -0.15 5.22 5.04 -0.16 -4.97 115.29 119.32 3l5r s HIS 40 Ca 0.00 0.75 0.01 0.00 -1.54 0.00 0.00 55.06 54.29 3l5r s HIS 40 Cb -0.06 -0.17 0.01 0.00 0.04 0.00 0.00 32.58 32.40 3l5r s HIS 40 CO 0.00 -0.33 -0.19 0.08 -2.34 0.00 0.00 174.74 171.96 3l5r s VAL 41 N 2.35 2.27 -0.43 0.89 1.01 -1.26 -0.48 120.40 124.75 3l5r s VAL 41 Ca 0.02 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3l5r s VAL 41 Cb -0.12 -1.93 0.12 0.00 0.00 0.00 0.00 36.38 34.44 3l5r s VAL 41 CO -0.07 0.53 0.16 -0.69 0.00 0.00 0.00 175.10 175.03 3l5r s VAL 42 N 0.91 2.40 0.88 2.92 1.01 0.10 -4.98 120.40 123.64 3l5r s VAL 42 Ca -0.04 -2.83 -0.12 0.00 0.00 0.00 0.00 61.98 58.99 3l5r s VAL 42 Cb -0.15 -2.72 0.16 0.00 0.00 0.00 0.00 36.38 33.67 3l5r s VAL 42 CO -0.03 -0.71 1.22 -2.16 0.00 0.00 0.00 175.10 173.42 3l5r s PRO 43 N 0.30 1.13 -1.53 2.72 0.04 -1.26 -1.40 135.00 135.01 3l5r s PRO 43 Ca 0.14 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.72 3l5r s PRO 43 Cb -0.23 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3l5r s PRO 43 CO -0.04 -2.03 0.00 -0.25 0.04 0.00 0.00 177.00 174.72 3l5r n ASP 44 N -3.47 -5.08 -4.83 6.66 8.00 -0.05 -4.84 116.55 112.94 3l5r n ASP 44 Ca 0.14 0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.35 3l5r n ASP 44 Cb 0.60 -4.16 -0.06 0.00 -0.02 0.00 0.00 41.12 37.48 3l5r n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3l5r s GLN 45 N -4.67 4.13 -0.66 -1.24 -1.52 -0.31 -4.94 119.66 110.46 3l5r s GLN 45 Ca 0.00 0.86 -0.23 0.00 -1.95 0.00 0.00 55.36 54.04 3l5r s GLN 45 Cb 0.00 -2.44 0.06 0.00 -0.22 0.00 0.00 33.01 30.42 3l5r s GLN 45 CO 0.00 0.14 1.00 -1.17 -0.25 0.00 0.00 175.29 175.01 3l5r s LEU 46 N -2.86 4.19 0.14 2.90 2.96 -1.26 -4.09 118.68 120.67 3l5r s LEU 46 Ca 0.55 -0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 53.48 3l5r s LEU 46 Cb -0.11 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.11 3l5r s LEU 46 CO 0.17 -1.48 0.31 0.00 -1.32 0.00 0.00 176.35 174.04 3l5r s MET 47 N 4.28 1.10 0.07 1.98 0.23 -1.26 -5.08 119.30 120.62 3l5r s MET 47 Ca 0.25 -1.01 0.02 0.00 -1.03 0.00 0.00 55.69 53.92 3l5r s MET 47 Cb -0.15 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.52 3l5r s MET 47 CO 0.12 -0.41 -0.07 0.00 -2.03 0.00 0.00 175.02 172.63 3l5r s ALA 48 N -3.90 0.75 -0.10 3.16 0.00 -1.26 -4.61 121.76 115.79 3l5r s ALA 48 Ca 0.11 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3l5r s ALA 48 Cb 0.03 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3l5r s ALA 48 CO -0.05 -0.12 -0.02 0.12 0.00 0.00 0.00 175.76 175.70 3l5r s PHE 49 N -2.41 0.98 -1.31 0.00 2.19 -0.47 -4.72 117.98 112.23 3l5r s PHE 49 Ca -0.00 -0.46 0.00 0.00 0.33 0.00 0.00 56.93 56.80 3l5r s PHE 49 Cb -0.03 -0.97 0.00 0.00 -1.31 0.00 0.00 43.02 40.71 3l5r s PHE 49 CO -0.02 -0.43 0.00 0.41 1.83 0.00 0.00 175.22 177.01 3l5r n GLY 50 N 5.07 0.97 2.47 13.12 0.00 -1.26 -2.30 105.19 123.26 3l5r n GLY 50 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3l5r n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l5r n GLY 51 N -1.29 0.81 3.56 -0.02 0.00 -1.26 -5.03 105.19 101.97 3l5r n GLY 51 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3l5r n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3l5r s SER 52 N -2.64 4.43 -0.13 1.61 0.15 -0.97 -5.02 113.70 111.12 3l5r s SER 52 Ca 0.00 -0.21 0.16 0.00 0.70 0.00 0.00 55.95 56.60 3l5r s SER 52 Cb 0.00 -0.97 0.70 0.00 -1.71 0.00 0.00 66.02 64.04 3l5r s SER 52 CO 0.00 0.27 1.60 -1.54 1.20 0.00 0.00 173.24 174.77 3l5r n SER 53 N 1.54 4.70 -4.62 5.45 3.41 -1.26 -1.37 113.62 121.46 3l5r n SER 53 Ca -0.15 -2.51 -0.31 0.00 -0.26 0.00 0.00 58.87 55.64 3l5r n SER 53 Cb 0.52 -0.59 0.18 0.00 -0.26 0.00 0.00 64.21 64.07 3l5r n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3l5r n GLU 54 N 0.97 -0.82 -1.62 4.33 1.02 -1.26 -4.86 120.64 118.39 3l5r n GLU 54 Ca 0.25 -0.18 -0.45 0.00 -0.02 0.00 0.00 57.16 56.75 3l5r n GLU 54 Cb 0.91 -2.32 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 3l5r n GLU 54 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3l5r n PRO 55 N -4.27 1.56 -3.81 3.49 -0.02 -1.26 -4.82 135.00 125.87 3l5r n PRO 55 Ca 0.10 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3l5r n PRO 55 Cb 0.52 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 3l5r n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l5r s ALA 57 N -3.91 -0.37 -0.17 0.00 0.00 -0.51 -3.59 121.76 113.22 3l5r s ALA 57 Ca 0.12 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.45 3l5r s ALA 57 Cb -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3l5r s ALA 57 CO 0.02 -0.09 -0.19 -0.51 0.00 0.00 0.00 175.76 174.99 3l5r s LEU 58 N -0.09 2.02 0.25 0.00 1.43 0.16 -1.35 118.68 121.10 3l5r s LEU 58 Ca -0.02 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 3l5r s LEU 58 Cb -0.02 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 3l5r s LEU 58 CO 0.00 -0.00 -0.02 0.00 0.23 0.00 0.00 176.35 176.56 3l5r s SER 60 N -3.36 0.05 -0.12 0.00 1.04 -0.56 -1.13 113.70 109.61 3l5r s SER 60 Ca 0.29 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3l5r s SER 60 Cb 0.05 0.19 0.02 0.00 0.10 0.00 0.00 66.02 66.38 3l5r s SER 60 CO 0.10 -0.33 -0.11 -0.22 0.98 0.00 0.00 173.24 173.66 3l5r s LEU 61 N -1.26 1.48 -0.15 2.42 2.96 -0.05 -1.30 118.68 122.78 3l5r s LEU 61 Ca -0.14 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 3l5r s LEU 61 Cb -0.07 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 3l5r s LEU 61 CO 0.01 -0.06 0.01 -1.00 -1.32 0.00 0.00 176.35 173.98 3l5r s HIS 62 N 1.44 3.14 -0.08 5.38 3.76 -0.50 -0.55 115.29 127.87 3l5r s HIS 62 Ca 0.02 -0.06 -0.08 0.00 -0.15 0.00 0.00 55.06 54.79 3l5r s HIS 62 Cb -0.13 -1.97 0.02 0.00 1.11 0.00 0.00 32.58 31.61 3l5r s HIS 62 CO -0.07 0.14 0.22 0.45 -0.85 0.00 0.00 174.74 174.63 3l5r s SER 63 N 0.12 -0.22 -0.79 1.40 0.15 -0.18 -1.77 113.70 112.41 3l5r s SER 63 Ca 0.02 0.42 -0.26 0.00 0.70 0.00 0.00 55.95 56.83 3l5r s SER 63 Cb -0.13 0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.65 3l5r s SER 63 CO 0.02 -0.10 1.43 -0.63 1.20 0.00 0.00 173.24 175.16 3l5r s ILE 64 N 0.03 3.69 0.00 6.45 1.01 -1.26 -0.52 121.20 130.60 3l5r s ILE 64 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3l5r s ILE 64 Cb -0.02 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.70 3l5r s ILE 64 CO 0.00 -1.69 0.00 0.61 0.00 0.00 0.00 174.94 173.87 3l5r n GLY 65 N 5.81 -1.90 2.51 6.18 0.00 -1.26 -4.93 105.19 111.60 3l5r n GLY 65 Ca 0.14 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 3l5r n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3l5r n LYS 66 N -0.38 -1.51 -4.92 1.61 4.76 -1.26 -4.89 118.16 111.56 3l5r n LYS 66 Ca 0.00 1.14 -0.33 0.00 -2.87 0.00 0.00 58.31 56.25 3l5r n LYS 66 Cb 0.00 -5.58 -0.15 0.00 -1.84 0.00 0.00 35.03 27.46 3l5r n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3l5r s ILE 67 N -2.78 2.75 -0.86 -0.18 -1.09 -1.26 -4.82 121.20 112.96 3l5r s ILE 67 Ca 0.00 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 3l5r s ILE 67 Cb 0.00 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 3l5r s ILE 67 CO 0.00 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 3l5r n GLY 68 N 3.39 -1.36 0.09 6.18 0.00 -1.26 -4.98 105.19 107.24 3l5r n GLY 68 Ca -0.18 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.80 3l5r n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3l5r h GLY 69 N 0.00 -1.43 1.21 -0.02 0.00 -1.99 0.19 103.07 101.04 3l5r h GLY 69 Ca 0.00 0.65 -0.16 0.00 0.00 0.00 0.00 47.33 47.82 3l5r h GLY 69 CO 0.00 -0.50 -0.45 0.00 0.00 0.00 0.00 176.54 175.59 3l5r h ALA 70 N -1.24 0.59 -0.63 3.60 0.00 -1.99 -2.56 119.26 117.03 3l5r h ALA 70 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3l5r h ALA 70 Cb 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3l5r h ALA 70 CO -0.08 0.68 0.30 1.96 0.00 0.00 0.00 179.25 182.11 3l5r h GLN 71 N 0.68 0.90 -0.26 0.00 4.20 -1.91 -1.19 115.11 117.53 3l5r h GLN 71 Ca 0.04 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 3l5r h GLN 71 Cb 1.03 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3l5r h GLN 71 CO 0.10 0.72 -0.33 -0.91 -0.67 0.00 0.00 178.83 177.75 3l5r h ASN 72 N 0.86 0.58 -0.53 1.46 2.35 -0.57 0.18 115.58 119.92 3l5r h ASN 72 Ca 0.21 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3l5r h ASN 72 Cb 0.12 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3l5r h ASN 72 CO -0.03 0.87 0.15 0.03 -1.65 0.00 0.00 177.43 176.80 3l5r h ARG 73 N 0.48 0.88 -0.23 0.81 3.08 -1.16 -0.67 114.38 117.57 3l5r h ARG 73 Ca 0.06 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3l5r h ARG 73 Cb 0.80 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3l5r h ARG 73 CO 0.07 0.78 -0.01 1.03 -1.07 0.00 0.00 179.97 180.76 3l5r h SER 74 N 0.85 0.41 -0.99 7.04 0.87 -0.66 -2.33 113.55 118.74 3l5r h SER 74 Ca 0.19 -0.32 0.05 0.00 -1.23 0.00 0.00 61.79 60.48 3l5r h SER 74 Cb 0.29 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 3l5r h SER 74 CO -0.00 0.64 0.64 1.88 -0.53 0.00 0.00 176.83 179.46 3l5r h TYR 75 N 0.18 1.20 -0.32 2.24 0.05 -0.72 -1.32 116.97 118.26 3l5r h TYR 75 Ca 0.06 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.75 3l5r h TYR 75 Cb 0.44 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3l5r h TYR 75 CO 0.04 0.65 -0.29 0.77 -1.05 0.00 0.00 178.16 178.28 3l5r h SER 76 N 1.20 0.70 -0.33 3.88 0.02 -1.00 0.14 113.55 118.15 3l5r h SER 76 Ca 0.41 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3l5r h SER 76 Cb 0.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3l5r h SER 76 CO -0.15 0.95 -0.13 0.50 -1.14 0.00 0.00 176.83 176.86 3l5r h LYS 77 N 0.58 0.66 0.20 3.45 3.64 -0.98 -0.50 116.57 123.63 3l5r h LYS 77 Ca 0.07 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 3l5r h LYS 77 Cb 0.79 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3l5r h LYS 77 CO 0.06 0.86 -0.10 1.25 -2.27 0.00 0.00 179.45 179.26 3l5r h LEU 78 N 0.44 -0.23 -0.22 5.20 5.85 -1.07 -2.16 115.31 123.12 3l5r h LEU 78 Ca 0.08 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3l5r h LEU 78 Cb 0.65 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3l5r h LEU 78 CO 0.04 -0.11 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.46 3l5r h LEU 79 N -0.33 0.81 -1.04 2.25 3.38 -0.72 -1.89 115.31 117.77 3l5r h LEU 79 Ca -0.03 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3l5r h LEU 79 Cb 0.25 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3l5r h LEU 79 CO 0.05 1.22 0.39 0.00 0.09 0.00 0.00 178.44 180.19 3l5r h GLY 81 N 1.11 0.95 0.94 0.00 0.00 -1.22 0.68 103.07 105.52 3l5r h GLY 81 Ca 0.27 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3l5r h GLY 81 CO -0.04 0.40 0.03 1.41 0.00 0.00 0.00 176.54 178.34 3l5r h LEU 82 N 0.87 0.65 -0.95 3.11 3.38 -0.94 -0.87 115.31 120.57 3l5r h LEU 82 Ca 0.23 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3l5r h LEU 82 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3l5r h LEU 82 CO -0.04 0.78 -0.13 -0.07 0.09 0.00 0.00 178.44 179.07 3l5r h LEU 83 N 0.50 0.61 -0.17 1.67 3.38 -0.85 0.25 115.31 120.70 3l5r h LEU 83 Ca 0.11 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3l5r h LEU 83 Cb 0.42 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3l5r h LEU 83 CO 0.01 0.77 -0.10 0.00 0.09 0.00 0.00 178.44 179.21 3l5r h ALA 84 N 1.29 0.24 -0.13 1.53 0.00 -0.77 -1.30 119.26 120.12 3l5r h ALA 84 Ca 0.10 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3l5r h ALA 84 Cb 0.55 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3l5r h ALA 84 CO 0.03 0.07 -0.21 1.49 0.00 0.00 0.00 179.25 180.64 3l5r h GLU 85 N 0.04 0.38 0.10 0.00 4.81 -0.95 -1.43 114.58 117.54 3l5r h GLU 85 Ca 0.04 -0.23 -0.33 0.00 -0.13 0.00 0.00 59.36 58.70 3l5r h GLU 85 Cb 0.58 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3l5r h GLU 85 CO 0.03 0.81 -1.81 0.00 -0.73 0.00 0.00 179.01 177.31 3l5r h ARG 86 N -0.02 0.21 -0.01 1.92 2.47 -0.61 -3.39 114.38 114.96 3l5r h ARG 86 Ca 0.01 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 3l5r h ARG 86 Cb 0.78 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 3l5r h ARG 86 CO 0.05 1.04 -0.01 1.28 0.56 0.00 0.00 179.97 182.88 3l5r n LEU 87 N -3.38 1.60 -3.57 3.04 4.77 -0.58 -4.62 117.00 114.25 3l5r n LEU 87 Ca -0.24 -0.98 -0.25 0.00 -0.03 0.00 0.00 56.01 54.51 3l5r n LEU 87 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 3l5r n LEU 87 CO 0.46 0.32 0.18 0.54 -1.33 0.00 0.00 177.39 177.56 3l5r n ARG 88 N 0.38 -7.00 -3.79 3.23 1.74 -0.54 -4.95 116.66 105.73 3l5r n ARG 88 Ca 0.04 0.79 -0.35 0.00 -0.77 0.00 0.00 57.85 57.56 3l5r n ARG 88 Cb 0.19 -5.79 -0.08 0.00 -1.02 0.00 0.00 32.46 25.76 3l5r n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3l5r s ILE 89 N -3.29 5.33 0.23 0.55 1.01 -0.85 -4.92 121.20 119.26 3l5r s ILE 89 Ca 0.56 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 61.07 3l5r s ILE 89 Cb -0.25 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 3l5r s ILE 89 CO 0.69 0.47 1.30 -0.55 0.00 0.00 0.00 174.94 176.84 3l5r s SER 90 N 0.16 6.90 0.48 3.58 0.15 -1.26 -3.28 113.70 120.42 3l5r s SER 90 Ca 0.08 2.44 0.19 0.00 0.70 0.00 0.00 55.95 59.37 3l5r s SER 90 Cb -0.11 -2.62 1.21 0.00 -1.71 0.00 0.00 66.02 62.79 3l5r s SER 90 CO -0.01 -0.50 1.99 -0.65 1.20 0.00 0.00 173.24 175.27 3l5r h PRO 91 N 4.93 0.19 -0.11 5.44 0.11 -1.97 0.59 132.00 141.19 3l5r h PRO 91 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3l5r h PRO 91 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3l5r h PRO 91 CO 0.75 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 3l5r n ASP 92 N -4.44 0.71 -0.69 -2.05 5.75 -1.26 -2.51 116.55 112.06 3l5r n ASP 92 Ca 0.09 -1.79 0.04 0.00 -0.01 0.00 0.00 54.79 53.12 3l5r n ASP 92 Cb 0.47 -0.07 0.20 0.00 -1.03 0.00 0.00 41.12 40.69 3l5r n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3l5r n ARG 93 N -0.21 1.64 -5.19 0.11 1.74 0.20 -5.00 116.66 109.95 3l5r n ARG 93 Ca 0.09 -3.22 -0.31 0.00 -0.77 0.00 0.00 57.85 53.64 3l5r n ARG 93 Cb 0.14 -1.66 -0.17 0.00 -1.02 0.00 0.00 32.46 29.76 3l5r n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3l5r s VAL 94 N -3.21 1.97 -0.06 1.55 1.01 -1.04 -1.43 120.40 119.18 3l5r s VAL 94 Ca 0.39 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.41 3l5r s VAL 94 Cb 0.37 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3l5r s VAL 94 CO -0.05 0.55 -0.20 -0.31 0.00 0.00 0.00 175.10 175.09 3l5r s TYR 95 N 0.02 2.58 -0.14 5.22 2.02 -0.46 -4.99 117.35 121.60 3l5r s TYR 95 Ca -0.08 -0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 56.10 3l5r s TYR 95 Cb -0.15 -1.64 0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3l5r s TYR 95 CO 0.05 -0.08 -0.07 0.42 -1.57 0.00 0.00 175.55 174.30 3l5r s ILE 96 N -0.28 1.15 -0.20 2.71 1.01 -1.26 -0.01 121.20 124.32 3l5r s ILE 96 Ca 0.01 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 3l5r s ILE 96 Cb -0.13 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3l5r s ILE 96 CO 0.03 0.26 0.51 0.20 0.00 0.00 0.00 174.94 175.94 3l5r s ASN 97 N 1.64 6.56 -0.16 3.58 0.01 -0.28 -4.95 114.94 121.33 3l5r s ASN 97 Ca 0.03 0.68 -0.10 0.00 -0.71 0.00 0.00 52.86 52.75 3l5r s ASN 97 Cb -0.14 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 3l5r s ASN 97 CO -0.08 -0.17 0.18 -0.31 -1.51 0.00 0.00 177.10 175.21 3l5r s TYR 98 N 1.58 3.48 -0.14 2.20 2.02 -1.26 -0.87 117.35 124.36 3l5r s TYR 98 Ca 0.24 0.46 0.01 0.00 -0.37 0.00 0.00 57.07 57.41 3l5r s TYR 98 Cb -0.15 -2.15 0.02 0.00 -0.40 0.00 0.00 41.96 39.27 3l5r s TYR 98 CO 0.10 0.40 -0.17 0.71 -1.57 0.00 0.00 175.55 175.02 3l5r s TYR 99 N 0.00 2.28 -0.57 2.71 2.02 0.29 -4.97 117.35 119.11 3l5r s TYR 99 Ca 0.12 -1.22 -0.21 0.00 -0.37 0.00 0.00 57.07 55.39 3l5r s TYR 99 Cb -0.12 -1.63 0.07 0.00 -0.40 0.00 0.00 41.96 39.88 3l5r s TYR 99 CO 0.01 -0.63 0.80 0.34 -1.57 0.00 0.00 175.55 174.51 3l5r s ASP 100 N 1.21 6.23 0.10 2.29 -1.08 -1.26 -1.01 116.67 123.15 3l5r s ASP 100 Ca -0.00 -0.91 -0.22 0.00 -0.52 0.00 0.00 52.55 50.90 3l5r s ASP 100 Cb -0.14 -2.36 -0.07 0.00 -1.46 0.00 0.00 42.92 38.89 3l5r s ASP 100 CO -0.07 -1.15 0.65 -0.04 0.52 0.00 0.00 175.17 175.08 3l5r s MET 101 N 3.31 4.35 0.17 4.34 -1.94 0.32 -4.88 119.30 124.96 3l5r s MET 101 Ca 0.20 0.90 -0.30 0.00 -1.71 0.00 0.00 55.69 54.78 3l5r s MET 101 Cb -0.18 -3.25 -0.08 0.00 2.01 0.00 0.00 34.83 33.33 3l5r s MET 101 CO 0.12 0.60 1.13 1.21 -0.01 0.00 0.00 175.02 178.07 3l5r s ASN 102 N -1.07 7.21 0.54 3.03 3.84 -1.26 -4.06 114.94 123.17 3l5r s ASN 102 Ca 0.32 2.12 0.22 0.00 0.21 0.00 0.00 52.86 55.73 3l5r s ASN 102 Cb -0.21 -2.60 1.43 0.00 -0.55 0.00 0.00 41.25 39.32 3l5r s ASN 102 CO 0.22 -0.27 2.11 0.00 -2.79 0.00 0.00 177.10 176.36 3l5r h ALA 103 N 5.24 2.07 0.00 1.71 0.00 -1.94 0.70 119.26 127.04 3l5r h ALA 103 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3l5r h ALA 103 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3l5r h ALA 103 CO 0.73 -0.25 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 3l5r h ALA 104 N 1.88 1.02 -0.65 0.00 0.00 -1.91 -2.62 119.26 116.98 3l5r h ALA 104 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3l5r h ALA 104 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3l5r h ALA 104 CO -0.00 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3l5r n ASN 105 N -3.15 5.04 -4.05 0.00 5.03 0.24 -4.82 115.26 113.55 3l5r n ASN 105 Ca 0.00 -2.55 -0.31 0.00 0.87 0.00 0.00 54.58 52.59 3l5r n ASN 105 Cb 0.30 -0.61 -0.16 0.00 -1.02 0.00 0.00 39.78 38.29 3l5r n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3l5r s VAL 106 N -2.04 1.74 0.06 2.41 1.01 -1.08 -4.89 120.40 117.61 3l5r s VAL 106 Ca 0.53 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 3l5r s VAL 106 Cb 0.35 -1.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 3l5r s VAL 106 CO 0.23 0.46 0.42 -0.83 0.00 0.00 0.00 175.10 175.39 3l5r s GLY 107 N 1.41 2.40 -0.28 4.51 0.00 -1.26 -2.15 107.32 111.95 3l5r s GLY 107 Ca 0.04 -0.30 -0.21 0.00 0.00 0.00 0.00 44.72 44.26 3l5r s GLY 107 CO -0.11 -0.02 0.89 0.86 0.00 0.00 0.00 173.10 174.71 3l5r s TRP 108 N -1.31 -0.68 -1.29 1.90 -0.00 0.11 -4.96 118.94 112.72 3l5r s TRP 108 Ca 0.31 1.49 -0.02 0.00 -0.00 0.00 0.00 56.10 57.88 3l5r s TRP 108 Cb -0.15 0.40 0.01 0.00 -0.00 0.00 0.00 33.47 33.73 3l5r s TRP 108 CO 0.17 -0.33 0.90 -1.71 -0.00 0.00 0.00 176.95 175.98 3l5r n ASN 109 N 3.16 -2.42 0.00 5.86 4.05 -1.26 -1.82 115.26 122.83 3l5r n ASN 109 Ca -0.16 -0.70 0.00 0.00 0.45 0.00 0.00 54.58 54.17 3l5r n ASN 109 Cb 0.57 -4.60 0.00 0.00 1.23 0.00 0.00 39.78 36.98 3l5r n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3l5r n ASN 110 N -3.06 -0.80 -0.02 1.20 3.02 -1.26 -4.93 115.26 109.41 3l5r n ASN 110 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 3l5r n ASN 110 Cb 0.65 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3l5r n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3l5r n SER 111 N -0.06 0.00 -4.63 6.41 2.88 -0.76 -5.18 113.62 112.28 3l5r n SER 111 Ca 0.00 -0.02 -0.29 0.00 -1.33 0.00 0.00 58.87 57.22 3l5r n SER 111 Cb 0.03 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 3l5r n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3l5r s THR 112 N -1.40 1.44 -1.14 2.46 -4.23 -1.26 0.08 115.64 111.58 3l5r s THR 112 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 3l5r s THR 112 Cb 0.00 -2.56 0.31 0.00 1.34 0.00 0.00 72.50 71.60 3l5r s THR 112 CO 0.00 0.00 1.93 0.49 -0.54 0.00 0.00 174.62 176.50 3l5r n PHE 113 N -1.07 0.00 0.73 3.99 3.72 -0.91 -4.85 117.46 119.08 3l5r n PHE 113 Ca -0.11 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.35 3l5r n PHE 113 Cb 0.67 -0.42 0.35 0.00 -0.94 0.00 0.00 39.48 39.14 3l5r n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71