#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l5p s MET 2 N 0.00 0.50 -0.14 -0.52 1.75 -0.32 -0.56 119.30 120.02 3l5p s MET 2 Ca 0.00 0.11 0.02 0.00 -1.25 0.00 0.00 55.69 54.57 3l5p s MET 2 Cb 0.00 -0.82 0.01 0.00 2.84 0.00 0.00 34.83 36.86 3l5p s MET 2 CO 0.00 -0.25 -0.21 0.12 -0.65 0.00 0.00 175.02 174.02 3l5p s PHE 3 N 1.71 2.67 -0.08 4.11 5.36 -0.12 -0.95 117.98 130.68 3l5p s PHE 3 Ca 0.01 -1.28 0.05 0.00 -0.96 0.00 0.00 56.93 54.74 3l5p s PHE 3 Cb -0.13 -1.81 -0.00 0.00 -0.34 0.00 0.00 43.02 40.74 3l5p s PHE 3 CO -0.04 -0.58 -0.24 0.42 -1.46 0.00 0.00 175.22 173.32 3l5p s ILE 4 N 0.77 2.07 -0.16 3.12 -1.09 -0.39 -1.20 121.20 124.32 3l5p s ILE 4 Ca -0.08 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.32 3l5p s ILE 4 Cb -0.16 -1.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.97 3l5p s ILE 4 CO -0.01 0.56 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.39 3l5p s VAL 5 N 0.15 1.95 -0.17 2.92 1.01 0.38 -1.39 120.40 125.26 3l5p s VAL 5 Ca -0.13 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 3l5p s VAL 5 Cb -0.16 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 3l5p s VAL 5 CO 0.07 0.52 -0.04 0.20 0.00 0.00 0.00 175.10 175.85 3l5p s ASN 6 N 1.22 4.68 0.04 3.32 0.01 -0.23 0.26 114.94 124.24 3l5p s ASN 6 Ca 0.02 -0.18 -0.08 0.00 -0.71 0.00 0.00 52.86 51.90 3l5p s ASN 6 Cb -0.14 -1.77 -0.00 0.00 0.41 0.00 0.00 41.25 39.76 3l5p s ASN 6 CO -0.10 0.14 0.17 0.28 -1.51 0.00 0.00 177.10 176.07 3l5p s THR 7 N 0.56 0.12 -2.16 1.60 -1.32 -0.12 -0.77 115.64 113.55 3l5p s THR 7 Ca -0.03 -0.98 0.27 0.00 -1.21 0.00 0.00 61.69 59.74 3l5p s THR 7 Cb -0.14 -0.95 0.44 0.00 -1.51 0.00 0.00 72.50 70.33 3l5p s THR 7 CO 0.03 -0.54 1.69 -0.46 -2.21 0.00 0.00 174.62 173.12 3l5p n ASN 8 N 0.63 1.24 -4.77 8.08 6.94 -1.23 -1.26 115.26 124.88 3l5p n ASN 8 Ca -0.18 -1.21 -0.40 0.00 -0.02 0.00 0.00 54.58 52.76 3l5p n ASN 8 Cb 0.59 0.05 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 3l5p n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3l5p s VAL 9 N -2.22 2.12 0.62 3.53 1.01 -1.26 -4.19 120.40 120.02 3l5p s VAL 9 Ca 0.32 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 3l5p s VAL 9 Cb 0.20 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 3l5p s VAL 9 CO 0.41 0.02 1.16 -2.16 0.00 0.00 0.00 175.10 174.53 3l5p s PRO 10 N -2.21 2.88 0.28 2.72 0.04 -1.26 -0.54 135.00 136.92 3l5p s PRO 10 Ca 0.56 1.62 0.01 0.00 0.04 0.00 0.00 61.00 63.22 3l5p s PRO 10 Cb -0.45 -1.94 0.52 0.00 0.04 0.00 0.00 34.50 32.68 3l5p s PRO 10 CO 0.60 -1.23 1.85 -0.09 0.04 0.00 0.00 177.00 178.17 3l5p h ARG 11 N 0.50 1.01 0.00 4.56 9.65 -1.93 -1.18 114.38 126.98 3l5p h ARG 11 Ca -0.49 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.33 3l5p h ARG 11 Cb 1.27 -0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 29.62 3l5p h ARG 11 CO 0.54 0.67 -0.02 0.00 2.80 0.00 0.00 179.97 183.96 3l5p h ALA 12 N 1.52 1.27 -0.00 2.80 0.00 -2.03 -1.28 119.26 121.54 3l5p h ALA 12 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3l5p h ALA 12 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3l5p h ALA 12 CO -0.24 0.03 -0.16 0.43 0.00 0.00 0.00 179.25 179.32 3l5p n SER 13 N -3.50 0.35 -4.59 0.00 7.64 -0.45 -4.72 113.62 108.34 3l5p n SER 13 Ca -0.03 -0.24 -0.43 0.00 1.01 0.00 0.00 58.87 59.19 3l5p n SER 13 Cb 0.12 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3l5p n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3l5p s VAL 14 N -2.71 4.47 0.45 0.44 1.01 -0.49 -4.74 120.40 118.85 3l5p s VAL 14 Ca 0.22 1.11 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 3l5p s VAL 14 Cb 0.19 -4.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 3l5p s VAL 14 CO 0.53 -0.72 1.27 -2.16 0.00 0.00 0.00 175.10 174.02 3l5p s PRO 15 N 3.77 3.71 0.35 2.72 0.04 -1.26 -4.95 135.00 139.38 3l5p s PRO 15 Ca 0.40 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.21 3l5p s PRO 15 Cb -0.10 -2.53 -0.12 0.00 0.04 0.00 0.00 34.50 31.79 3l5p s PRO 15 CO 0.23 -0.67 1.39 -0.25 0.04 0.00 0.00 177.00 177.74 3l5p n ASP 16 N -0.33 3.25 0.00 6.66 10.43 -1.26 -2.00 116.55 133.30 3l5p n ASP 16 Ca 0.06 1.21 0.00 0.00 2.57 0.00 0.00 54.79 58.64 3l5p n ASP 16 Cb 0.45 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 41.87 3l5p n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3l5p n GLY 17 N 0.71 0.90 0.24 0.44 0.00 -1.26 -4.94 105.19 101.27 3l5p n GLY 17 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3l5p n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3l5p h PHE 18 N 0.00 0.83 -0.74 1.61 3.57 -1.77 0.15 116.94 120.59 3l5p h PHE 18 Ca 0.00 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.32 3l5p h PHE 18 Cb 0.00 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3l5p h PHE 18 CO 0.00 0.78 0.23 -0.07 -2.23 0.00 0.00 178.31 177.02 3l5p h LEU 19 N 0.64 1.08 -0.73 0.59 3.38 -1.92 -0.76 115.31 117.60 3l5p h LEU 19 Ca 0.14 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3l5p h LEU 19 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3l5p h LEU 19 CO 0.01 1.01 0.00 0.28 0.09 0.00 0.00 178.44 179.83 3l5p h SER 20 N 1.11 0.95 -0.43 -0.43 0.02 -1.91 -0.69 113.55 112.17 3l5p h SER 20 Ca 0.24 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 3l5p h SER 20 Cb 0.31 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3l5p h SER 20 CO -0.01 1.00 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.56 3l5p h GLU 21 N 0.90 0.80 -0.79 3.45 4.81 -0.62 -1.51 114.58 121.61 3l5p h GLU 21 Ca 0.17 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3l5p h GLU 21 Cb 0.52 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 3l5p h GLU 21 CO 0.03 0.89 0.52 -0.07 -0.73 0.00 0.00 179.01 179.64 3l5p h LEU 22 N 0.63 0.91 -0.24 1.64 3.38 -0.98 -0.66 115.31 119.99 3l5p h LEU 22 Ca 0.12 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3l5p h LEU 22 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3l5p h LEU 22 CO 0.03 0.67 0.14 0.74 0.09 0.00 0.00 178.44 180.11 3l5p h THR 23 N 1.07 1.09 -0.28 0.22 2.02 -0.83 -0.86 112.91 115.34 3l5p h THR 23 Ca 0.29 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 67.17 3l5p h THR 23 Cb -0.11 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3l5p h THR 23 CO -0.06 0.09 -0.13 -0.61 0.37 0.00 0.00 175.52 175.17 3l5p h GLN 24 N 0.30 0.59 -0.37 6.66 -0.00 -1.06 -1.69 115.11 119.54 3l5p h GLN 24 Ca 0.09 -0.26 -0.09 0.00 -0.00 0.00 0.00 58.65 58.39 3l5p h GLN 24 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.47 3l5p h GLN 24 CO -0.02 0.83 -0.15 1.96 0.00 0.00 0.00 178.83 181.45 3l5p h GLN 25 N 0.33 0.67 -0.10 1.69 1.08 -1.05 -2.11 115.11 115.62 3l5p h GLN 25 Ca 0.06 -0.22 -0.19 0.00 -1.45 0.00 0.00 58.65 56.85 3l5p h GLN 25 Cb 0.65 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3l5p h GLN 25 CO 0.04 0.78 -0.72 -0.07 -0.95 0.00 0.00 178.83 177.91 3l5p h LEU 26 N 0.60 0.59 -0.55 1.46 3.38 -1.10 -0.91 115.31 118.78 3l5p h LEU 26 Ca 0.10 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3l5p h LEU 26 Cb 0.59 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3l5p h LEU 26 CO 0.04 1.13 0.33 0.00 0.09 0.00 0.00 178.44 180.03 3l5p h ALA 27 N 0.86 0.70 -0.57 1.53 0.00 -1.13 -0.25 119.26 120.40 3l5p h ALA 27 Ca -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3l5p h ALA 27 Cb 1.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3l5p h ALA 27 CO 0.13 0.19 0.21 0.37 0.00 0.00 0.00 179.25 180.15 3l5p h GLN 28 N 0.74 0.87 -0.22 0.00 4.15 -1.29 -0.29 115.11 119.07 3l5p h GLN 28 Ca 0.20 -0.17 -0.20 0.00 0.77 0.00 0.00 58.65 59.25 3l5p h GLN 28 Cb -0.02 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.54 3l5p h GLN 28 CO -0.04 0.76 -0.64 0.00 -1.93 0.00 0.00 178.83 176.98 3l5p h ALA 29 N 1.07 0.43 0.00 3.38 0.00 -0.83 -3.26 119.26 120.05 3l5p h ALA 29 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3l5p h ALA 29 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3l5p h ALA 29 CO -0.01 0.69 -1.03 0.25 0.00 0.00 0.00 179.25 179.14 3l5p n THR 30 N -3.97 0.54 -0.99 0.00 -2.24 -0.13 -4.95 114.28 102.55 3l5p n THR 30 Ca -0.05 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3l5p n THR 30 Cb 0.68 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3l5p n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3l5p n GLY 31 N 1.21 0.82 3.85 3.38 0.00 -0.13 -4.98 105.19 109.34 3l5p n GLY 31 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3l5p n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l5p s LYS 32 N -0.01 3.99 0.47 1.61 -0.14 -1.18 -5.02 119.74 119.46 3l5p s LYS 32 Ca 0.00 0.64 -0.24 0.00 -1.36 0.00 0.00 55.97 55.00 3l5p s LYS 32 Cb 0.00 -2.47 -0.07 0.00 -1.68 0.00 0.00 37.83 33.61 3l5p s LYS 32 CO 0.00 0.18 1.38 -2.14 -0.76 0.00 0.00 175.35 174.02 3l5p s PRO 33 N -2.92 3.58 0.56 -1.68 0.02 -1.26 -4.53 135.00 128.76 3l5p s PRO 33 Ca 0.53 2.31 0.25 0.00 0.02 0.00 0.00 61.00 64.12 3l5p s PRO 33 Cb -0.11 -2.55 1.58 0.00 0.02 0.00 0.00 34.50 33.44 3l5p s PRO 33 CO 0.18 -0.87 2.15 -1.35 -0.33 0.00 0.00 177.00 176.78 3l5p h PRO 34 N 2.12 0.00 0.00 5.54 0.11 -1.91 -1.62 132.00 136.24 3l5p h PRO 34 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3l5p h PRO 34 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3l5p h PRO 34 CO 0.60 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.35 3l5p h GLN 35 N 0.00 0.00 -0.24 1.05 7.50 -1.97 -2.25 115.11 119.20 3l5p h GLN 35 Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 3l5p h GLN 35 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.79 3l5p h GLN 35 CO -0.00 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 177.99 3l5p n TYR 36 N -2.65 0.31 -3.31 2.96 4.01 -0.61 -4.95 117.16 112.91 3l5p n TYR 36 Ca -0.01 -0.28 -0.39 0.00 -0.16 0.00 0.00 57.90 57.07 3l5p n TYR 36 Cb 0.14 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.09 3l5p n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3l5p s ILE 37 N -1.04 5.16 -0.06 -0.72 -1.09 -0.85 -1.69 121.20 120.90 3l5p s ILE 37 Ca 0.22 0.87 0.04 0.00 -2.23 0.00 0.00 60.65 59.55 3l5p s ILE 37 Cb 0.13 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 3l5p s ILE 37 CO 0.18 0.24 -0.17 0.00 -1.23 0.00 0.00 174.94 173.95 3l5p s ALA 38 N 1.30 2.53 0.04 9.38 0.00 0.28 -4.97 121.76 130.31 3l5p s ALA 38 Ca 0.23 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.25 3l5p s ALA 38 Cb -0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 3l5p s ALA 38 CO 0.09 0.47 -0.13 0.14 0.00 0.00 0.00 175.76 176.33 3l5p s VAL 39 N -0.41 1.03 -0.16 0.00 -7.23 -1.26 -0.94 120.40 111.43 3l5p s VAL 39 Ca 0.04 -1.03 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 3l5p s VAL 39 Cb -0.12 -0.95 0.07 0.00 0.56 0.00 0.00 36.38 35.94 3l5p s VAL 39 CO 0.02 -0.07 0.32 -2.28 -0.31 0.00 0.00 175.10 172.78 3l5p s HIS 40 N -0.95 -0.56 -0.11 2.82 5.04 -0.34 -4.97 115.29 116.21 3l5p s HIS 40 Ca -0.00 1.18 0.03 0.00 -1.54 0.00 0.00 55.06 54.73 3l5p s HIS 40 Cb -0.08 0.10 0.00 0.00 0.04 0.00 0.00 32.58 32.64 3l5p s HIS 40 CO 0.01 -0.40 -0.23 0.08 -2.34 0.00 0.00 174.74 171.87 3l5p s VAL 41 N 2.43 2.12 -0.36 0.89 1.01 -1.26 -0.47 120.40 124.75 3l5p s VAL 41 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3l5p s VAL 41 Cb -0.12 -1.82 0.11 0.00 0.00 0.00 0.00 36.38 34.55 3l5p s VAL 41 CO -0.10 0.55 0.10 -0.69 0.00 0.00 0.00 175.10 174.97 3l5p s VAL 42 N 0.48 1.90 0.80 2.92 1.01 0.14 -4.97 120.40 122.68 3l5p s VAL 42 Ca -0.15 -2.26 -0.09 0.00 0.00 0.00 0.00 61.98 59.49 3l5p s VAL 42 Cb -0.17 -2.39 0.12 0.00 0.00 0.00 0.00 36.38 33.94 3l5p s VAL 42 CO 0.06 -0.67 1.13 -2.16 0.00 0.00 0.00 175.10 173.45 3l5p s PRO 43 N 0.88 1.53 -1.53 2.72 0.04 -1.26 -0.95 135.00 136.44 3l5p s PRO 43 Ca 0.12 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.67 3l5p s PRO 43 Cb -0.20 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3l5p s PRO 43 CO -0.11 -1.71 0.00 -0.25 0.04 0.00 0.00 177.00 174.97 3l5p n ASP 44 N -3.21 -4.96 -4.84 6.66 8.00 0.30 -4.84 116.55 113.66 3l5p n ASP 44 Ca 0.12 0.11 -0.32 0.00 0.71 0.00 0.00 54.79 55.40 3l5p n ASP 44 Cb 0.60 -4.02 -0.06 0.00 -0.02 0.00 0.00 41.12 37.62 3l5p n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3l5p s GLN 45 N -4.43 4.06 -0.63 -1.24 -1.52 -0.39 -4.94 119.66 110.58 3l5p s GLN 45 Ca 0.00 0.86 -0.22 0.00 -1.95 0.00 0.00 55.36 54.05 3l5p s GLN 45 Cb 0.00 -2.29 0.07 0.00 -0.22 0.00 0.00 33.01 30.57 3l5p s GLN 45 CO 0.00 0.01 0.89 -1.17 -0.25 0.00 0.00 175.29 174.77 3l5p s LEU 46 N -3.28 4.62 0.15 2.90 2.96 -1.26 -4.12 118.68 120.65 3l5p s LEU 46 Ca 0.57 -1.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 3l5p s LEU 46 Cb -0.10 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 3l5p s LEU 46 CO 0.19 -1.33 0.30 0.00 -1.32 0.00 0.00 176.35 174.19 3l5p s MET 47 N 3.67 1.12 0.03 1.98 0.23 -1.26 -5.08 119.30 119.99 3l5p s MET 47 Ca 0.20 -1.08 0.01 0.00 -1.03 0.00 0.00 55.69 53.79 3l5p s MET 47 Cb -0.18 0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 33.49 3l5p s MET 47 CO 0.10 -0.41 -0.06 0.00 -2.03 0.00 0.00 175.02 172.62 3l5p s ALA 48 N -3.93 0.37 -0.17 3.16 0.00 -1.26 -4.65 121.76 115.29 3l5p s ALA 48 Ca 0.13 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3l5p s ALA 48 Cb 0.03 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.29 3l5p s ALA 48 CO -0.03 -0.08 -0.00 0.12 0.00 0.00 0.00 175.76 175.77 3l5p s PHE 49 N -1.41 1.28 -1.37 0.00 2.19 -0.25 -4.70 117.98 113.71 3l5p s PHE 49 Ca -0.13 -0.87 0.00 0.00 0.33 0.00 0.00 56.93 56.26 3l5p s PHE 49 Cb -0.10 -1.12 0.00 0.00 -1.31 0.00 0.00 43.02 40.49 3l5p s PHE 49 CO -0.00 -0.57 0.00 0.41 1.83 0.00 0.00 175.22 176.88 3l5p n GLY 50 N 4.98 0.73 1.96 13.12 0.00 -1.26 -2.45 105.19 122.27 3l5p n GLY 50 Ca -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3l5p n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l5p n GLY 51 N -1.14 0.96 3.63 -0.02 0.00 -1.26 -5.04 105.19 102.32 3l5p n GLY 51 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3l5p n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3l5p s SER 52 N -3.04 4.76 -0.11 1.61 0.15 -1.02 -5.03 113.70 111.01 3l5p s SER 52 Ca 0.00 -0.19 0.16 0.00 0.70 0.00 0.00 55.95 56.62 3l5p s SER 52 Cb 0.00 -1.09 0.58 0.00 -1.71 0.00 0.00 66.02 63.80 3l5p s SER 52 CO 0.00 0.23 1.49 -1.54 1.20 0.00 0.00 173.24 174.62 3l5p n SER 53 N 1.04 4.16 -4.64 5.45 3.41 -1.26 -1.09 113.62 120.69 3l5p n SER 53 Ca -0.13 -2.54 -0.30 0.00 -0.26 0.00 0.00 58.87 55.64 3l5p n SER 53 Cb 0.52 -0.50 0.18 0.00 -0.26 0.00 0.00 64.21 64.16 3l5p n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3l5p s GLU 54 N -1.99 0.59 0.19 4.33 2.02 -1.26 -4.85 118.70 117.73 3l5p s GLU 54 Ca 0.42 1.20 -0.33 0.00 0.02 0.00 0.00 54.97 56.28 3l5p s GLU 54 Cb 0.29 -1.70 -0.15 0.00 0.10 0.00 0.00 34.13 32.67 3l5p s GLU 54 CO 0.18 -2.81 1.29 -2.30 0.02 0.00 0.00 175.26 171.64 3l5p n PRO 55 N -4.32 1.54 -3.99 0.39 -0.02 -1.26 -4.86 135.00 122.48 3l5p n PRO 55 Ca 0.08 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 3l5p n PRO 55 Cb 0.53 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3l5p n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l5p s ALA 57 N -4.01 -0.48 -0.17 0.00 0.00 -0.67 -3.58 121.76 112.85 3l5p s ALA 57 Ca 0.22 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3l5p s ALA 57 Cb -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3l5p s ALA 57 CO 0.08 -0.12 -0.16 -0.51 0.00 0.00 0.00 175.76 175.04 3l5p s LEU 58 N -0.19 2.35 0.18 0.00 1.43 0.05 -1.81 118.68 120.70 3l5p s LEU 58 Ca -0.03 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3l5p s LEU 58 Cb -0.03 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3l5p s LEU 58 CO 0.01 0.04 -0.12 0.00 0.23 0.00 0.00 176.35 176.51 3l5p s SER 60 N -3.26 0.53 -0.16 0.00 0.01 -0.48 -1.03 113.70 109.31 3l5p s SER 60 Ca 0.20 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.18 3l5p s SER 60 Cb 0.01 0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.27 3l5p s SER 60 CO 0.04 -0.08 -0.10 -0.22 0.41 0.00 0.00 173.24 173.29 3l5p s LEU 61 N -0.76 1.69 -0.11 2.44 2.96 -0.36 -1.26 118.68 123.27 3l5p s LEU 61 Ca -0.05 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 3l5p s LEU 61 Cb -0.05 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3l5p s LEU 61 CO -0.00 -0.12 0.01 -1.00 -1.32 0.00 0.00 176.35 173.92 3l5p s HIS 62 N 1.55 3.16 -0.04 5.38 3.76 -0.13 -1.14 115.29 127.84 3l5p s HIS 62 Ca 0.03 0.09 -0.18 0.00 -0.15 0.00 0.00 55.06 54.84 3l5p s HIS 62 Cb -0.14 -1.87 0.03 0.00 1.11 0.00 0.00 32.58 31.71 3l5p s HIS 62 CO -0.09 0.33 0.39 0.45 -0.85 0.00 0.00 174.74 174.98 3l5p s SER 63 N -0.45 -0.31 -0.72 1.40 0.15 -0.74 -1.17 113.70 111.85 3l5p s SER 63 Ca 0.08 0.29 -0.23 0.00 0.70 0.00 0.00 55.95 56.80 3l5p s SER 63 Cb -0.12 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.67 3l5p s SER 63 CO 0.02 -0.45 1.07 -0.63 1.20 0.00 0.00 173.24 174.45 3l5p s ILE 64 N -1.14 4.23 0.00 6.45 1.01 -1.26 -0.36 121.20 130.14 3l5p s ILE 64 Ca -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3l5p s ILE 64 Cb -0.04 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.67 3l5p s ILE 64 CO 0.05 -1.57 0.00 0.61 0.00 0.00 0.00 174.94 174.03 3l5p n GLY 65 N 5.44 -2.24 2.42 6.18 0.00 -1.26 -4.95 105.19 110.79 3l5p n GLY 65 Ca 0.03 -1.52 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 3l5p n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3l5p n LYS 66 N -0.82 -1.59 -5.09 1.61 4.76 -1.26 -4.92 118.16 110.85 3l5p n LYS 66 Ca 0.00 1.02 -0.30 0.00 -2.87 0.00 0.00 58.31 56.17 3l5p n LYS 66 Cb 0.00 -5.61 -0.16 0.00 -1.84 0.00 0.00 35.03 27.42 3l5p n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3l5p s ILE 67 N -2.97 1.82 0.00 -0.18 -1.09 -1.26 -4.87 121.20 112.65 3l5p s ILE 67 Ca 0.00 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 3l5p s ILE 67 Cb 0.00 -1.55 0.00 0.00 -1.58 0.00 0.00 42.46 39.33 3l5p s ILE 67 CO 0.00 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 3l5p n GLY 68 N 3.12 -0.39 0.21 6.18 0.00 -1.26 -4.99 105.19 108.06 3l5p n GLY 68 Ca -0.18 -1.15 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 3l5p n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3l5p h GLY 69 N 0.00 -1.32 1.36 -0.02 0.00 -1.99 0.25 103.07 101.35 3l5p h GLY 69 Ca 0.00 0.65 -0.16 0.00 0.00 0.00 0.00 47.33 47.83 3l5p h GLY 69 CO 0.00 -0.41 -0.48 0.00 0.00 0.00 0.00 176.54 175.65 3l5p h ALA 70 N -0.98 0.68 -0.66 3.60 0.00 -2.00 -2.69 119.26 117.21 3l5p h ALA 70 Ca 0.01 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3l5p h ALA 70 Cb 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3l5p h ALA 70 CO -0.18 0.67 0.21 1.96 0.00 0.00 0.00 179.25 181.92 3l5p h GLN 71 N 0.54 1.03 -0.23 0.00 4.20 -1.90 -1.93 115.11 116.83 3l5p h GLN 71 Ca 0.03 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.42 3l5p h GLN 71 Cb 1.03 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 3l5p h GLN 71 CO 0.10 0.90 -0.28 -0.91 -0.67 0.00 0.00 178.83 177.97 3l5p h ASN 72 N 0.97 0.45 -0.79 1.46 2.35 -0.41 0.92 115.58 120.53 3l5p h ASN 72 Ca 0.21 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3l5p h ASN 72 Cb 0.29 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 3l5p h ASN 72 CO -0.01 0.72 0.32 0.03 -1.65 0.00 0.00 177.43 176.85 3l5p h ARG 73 N 0.40 1.18 -0.34 0.81 3.08 -1.21 0.13 114.38 118.43 3l5p h ARG 73 Ca 0.06 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 3l5p h ARG 73 Cb 0.69 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3l5p h ARG 73 CO 0.05 0.95 0.02 1.03 -1.07 0.00 0.00 179.97 180.96 3l5p h SER 74 N 1.15 0.57 -0.90 7.04 0.87 -0.65 -2.10 113.55 119.53 3l5p h SER 74 Ca 0.27 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3l5p h SER 74 Cb 0.21 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 3l5p h SER 74 CO -0.02 0.71 0.56 1.88 -0.53 0.00 0.00 176.83 179.43 3l5p h TYR 75 N 0.40 1.16 -0.46 2.24 0.05 -0.62 -1.83 116.97 117.92 3l5p h TYR 75 Ca 0.10 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.78 3l5p h TYR 75 Cb 0.41 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3l5p h TYR 75 CO 0.03 0.76 -0.13 0.77 -1.05 0.00 0.00 178.16 178.54 3l5p h SER 76 N 1.23 0.91 -0.46 3.88 0.02 -0.76 0.12 113.55 118.51 3l5p h SER 76 Ca 0.33 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3l5p h SER 76 Cb -0.08 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3l5p h SER 76 CO -0.06 1.07 0.18 0.50 -1.14 0.00 0.00 176.83 177.37 3l5p h LYS 77 N 0.74 0.68 -0.01 3.45 3.64 -1.21 -0.87 116.57 122.99 3l5p h LYS 77 Ca 0.12 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3l5p h LYS 77 Cb 0.68 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3l5p h LYS 77 CO 0.05 0.62 0.01 1.25 -2.27 0.00 0.00 179.45 179.11 3l5p h LEU 78 N 0.59 0.02 -0.07 5.20 5.85 -1.09 -1.84 115.31 123.98 3l5p h LEU 78 Ca 0.15 -0.13 -0.25 0.00 0.84 0.00 0.00 57.88 58.49 3l5p h LEU 78 Cb 0.20 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.24 3l5p h LEU 78 CO -0.01 0.14 -0.99 -0.07 -0.34 0.00 0.00 178.44 177.17 3l5p h LEU 79 N -0.10 0.83 -1.05 2.25 3.38 -0.72 -2.00 115.31 117.90 3l5p h LEU 79 Ca 0.00 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 3l5p h LEU 79 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3l5p h LEU 79 CO -0.00 1.45 0.32 0.00 0.09 0.00 0.00 178.44 180.30 3l5p h GLY 81 N 1.06 0.50 1.06 0.00 0.00 -1.09 -0.45 103.07 104.14 3l5p h GLY 81 Ca 0.24 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 3l5p h GLY 81 CO -0.03 0.18 0.11 1.41 0.00 0.00 0.00 176.54 178.21 3l5p h LEU 82 N 0.48 1.04 -0.79 3.11 3.38 -1.02 -0.54 115.31 120.97 3l5p h LEU 82 Ca 0.13 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3l5p h LEU 82 Cb -0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3l5p h LEU 82 CO -0.03 1.04 -0.26 -0.07 0.09 0.00 0.00 178.44 179.21 3l5p h LEU 83 N 1.01 0.64 -0.14 1.67 3.38 -0.93 0.30 115.31 121.24 3l5p h LEU 83 Ca 0.20 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3l5p h LEU 83 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3l5p h LEU 83 CO 0.01 0.88 -0.26 0.00 0.09 0.00 0.00 178.44 179.16 3l5p h ALA 84 N 1.17 0.22 -0.20 1.53 0.00 -0.86 -0.64 119.26 120.47 3l5p h ALA 84 Ca 0.07 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3l5p h ALA 84 Cb 0.73 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3l5p h ALA 84 CO 0.06 0.21 -0.31 1.49 0.00 0.00 0.00 179.25 180.69 3l5p h GLU 85 N 0.02 0.57 0.09 0.00 4.81 -1.03 -2.00 114.58 117.04 3l5p h GLU 85 Ca 0.01 -0.34 -0.35 0.00 -0.13 0.00 0.00 59.36 58.54 3l5p h GLU 85 Cb 0.85 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3l5p h GLU 85 CO 0.06 0.94 -1.98 0.54 -0.73 0.00 0.00 179.01 177.84 3l5p n ARG 86 N -4.33 0.73 0.00 1.92 5.12 0.09 -4.40 116.66 115.79 3l5p n ARG 86 Ca -0.06 0.26 0.06 0.00 -1.93 0.00 0.00 57.85 56.18 3l5p n ARG 86 Cb 0.48 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 3l5p n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3l5p n LEU 87 N -3.38 1.38 -2.76 0.55 4.77 -0.35 -4.65 117.00 112.56 3l5p n LEU 87 Ca -0.30 -0.79 -0.19 0.00 -0.03 0.00 0.00 56.01 54.69 3l5p n LEU 87 Cb 1.05 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.18 3l5p n LEU 87 CO 0.42 0.27 0.07 0.54 -1.33 0.00 0.00 177.39 177.37 3l5p n ARG 88 N -0.12 -5.07 -3.70 3.23 1.74 -0.63 -4.96 116.66 107.15 3l5p n ARG 88 Ca 0.05 0.74 -0.36 0.00 -0.77 0.00 0.00 57.85 57.52 3l5p n ARG 88 Cb 0.24 -5.34 -0.08 0.00 -1.02 0.00 0.00 32.46 26.26 3l5p n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3l5p s ILE 89 N -3.15 5.39 0.28 0.55 1.01 -0.98 -4.91 121.20 119.39 3l5p s ILE 89 Ca 0.34 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 3l5p s ILE 89 Cb -0.15 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 3l5p s ILE 89 CO 0.42 0.41 1.42 -0.55 0.00 0.00 0.00 174.94 176.64 3l5p s SER 90 N 0.59 6.64 0.54 3.58 0.15 -1.26 -3.26 113.70 120.68 3l5p s SER 90 Ca 0.08 2.72 0.23 0.00 0.70 0.00 0.00 55.95 59.68 3l5p s SER 90 Cb -0.12 -2.63 1.44 0.00 -1.71 0.00 0.00 66.02 63.00 3l5p s SER 90 CO 0.00 -0.69 2.11 -0.65 1.20 0.00 0.00 173.24 175.21 3l5p h PRO 91 N 4.45 0.00 -0.07 5.44 0.11 -1.97 -0.50 132.00 139.46 3l5p h PRO 91 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3l5p h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3l5p h PRO 91 CO 0.74 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 3l5p n ASP 92 N -4.27 0.47 -0.72 -2.05 5.75 -1.26 -2.67 116.55 111.80 3l5p n ASP 92 Ca 0.02 -1.81 0.05 0.00 -0.01 0.00 0.00 54.79 53.04 3l5p n ASP 92 Cb 0.28 -0.05 0.19 0.00 -1.03 0.00 0.00 41.12 40.51 3l5p n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3l5p n ARG 93 N -0.33 1.54 -4.94 0.11 1.74 -0.20 -5.01 116.66 109.58 3l5p n ARG 93 Ca 0.08 -3.24 -0.28 0.00 -0.77 0.00 0.00 57.85 53.63 3l5p n ARG 93 Cb 0.10 -1.52 -0.17 0.00 -1.02 0.00 0.00 32.46 29.85 3l5p n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3l5p s VAL 94 N -3.05 1.63 -0.08 1.55 1.01 -1.09 -1.68 120.40 118.70 3l5p s VAL 94 Ca 0.38 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3l5p s VAL 94 Cb 0.37 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 3l5p s VAL 94 CO -0.07 0.46 -0.11 -0.31 0.00 0.00 0.00 175.10 175.07 3l5p s TYR 95 N 0.34 2.81 -0.17 5.22 2.02 -0.75 -5.00 117.35 121.82 3l5p s TYR 95 Ca -0.13 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 3l5p s TYR 95 Cb -0.16 -1.72 0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3l5p s TYR 95 CO 0.05 0.13 -0.12 0.42 -1.57 0.00 0.00 175.55 174.47 3l5p s ILE 96 N -0.45 1.54 -0.17 2.71 1.01 -1.26 -0.53 121.20 124.05 3l5p s ILE 96 Ca 0.06 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 3l5p s ILE 96 Cb -0.12 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 3l5p s ILE 96 CO 0.02 0.30 0.59 0.20 0.00 0.00 0.00 174.94 176.05 3l5p s ASN 97 N 1.47 6.68 -0.13 3.58 0.01 -0.20 -4.96 114.94 121.39 3l5p s ASN 97 Ca 0.02 0.82 -0.07 0.00 -0.71 0.00 0.00 52.86 52.93 3l5p s ASN 97 Cb -0.14 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 3l5p s ASN 97 CO -0.09 -0.20 0.12 -0.31 -1.51 0.00 0.00 177.10 175.11 3l5p s TYR 98 N 1.56 3.50 -0.11 2.20 2.02 -1.26 -1.23 117.35 124.03 3l5p s TYR 98 Ca 0.28 0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 57.41 3l5p s TYR 98 Cb -0.16 -1.95 0.03 0.00 -0.40 0.00 0.00 41.96 39.48 3l5p s TYR 98 CO 0.11 0.63 -0.05 0.71 -1.57 0.00 0.00 175.55 175.37 3l5p s TYR 99 N -0.80 1.29 -0.55 2.71 2.02 -0.29 -4.97 117.35 116.76 3l5p s TYR 99 Ca 0.13 -0.63 -0.21 0.00 -0.37 0.00 0.00 57.07 55.99 3l5p s TYR 99 Cb -0.12 -1.13 0.06 0.00 -0.40 0.00 0.00 41.96 40.37 3l5p s TYR 99 CO 0.03 -0.48 0.79 0.34 -1.57 0.00 0.00 175.55 174.66 3l5p s ASP 100 N 1.77 6.25 0.08 2.29 -1.08 -1.26 -1.80 116.67 122.93 3l5p s ASP 100 Ca 0.05 -0.77 -0.21 0.00 -0.52 0.00 0.00 52.55 51.10 3l5p s ASP 100 Cb -0.13 -2.36 -0.07 0.00 -1.46 0.00 0.00 42.92 38.90 3l5p s ASP 100 CO -0.07 -1.11 0.62 -0.04 0.52 0.00 0.00 175.17 175.09 3l5p s MET 101 N 3.31 4.30 0.26 4.34 -1.94 0.51 -4.91 119.30 125.18 3l5p s MET 101 Ca 0.21 0.83 -0.29 0.00 -1.71 0.00 0.00 55.69 54.73 3l5p s MET 101 Cb -0.17 -3.26 -0.09 0.00 2.01 0.00 0.00 34.83 33.32 3l5p s MET 101 CO 0.14 0.58 1.01 1.21 -0.01 0.00 0.00 175.02 177.94 3l5p s ASN 102 N -0.95 7.46 0.41 3.03 2.47 -1.26 -4.10 114.94 122.00 3l5p s ASN 102 Ca 0.31 2.07 0.13 0.00 0.42 0.00 0.00 52.86 55.79 3l5p s ASN 102 Cb -0.20 -2.61 0.97 0.00 -1.45 0.00 0.00 41.25 37.96 3l5p s ASN 102 CO 0.20 0.01 1.92 0.00 -3.72 0.00 0.00 177.10 175.52 3l5p h ALA 103 N 3.93 2.00 0.00 1.71 0.00 -1.95 0.15 119.26 125.10 3l5p h ALA 103 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3l5p h ALA 103 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3l5p h ALA 103 CO 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3l5p h ALA 104 N 1.64 1.00 -0.52 0.00 0.00 -1.92 -2.80 119.26 116.66 3l5p h ALA 104 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3l5p h ALA 104 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3l5p h ALA 104 CO -0.13 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.21 3l5p n ASN 105 N -2.46 4.76 -3.98 0.00 5.03 0.52 -4.84 115.26 114.27 3l5p n ASN 105 Ca 0.02 -2.68 -0.30 0.00 0.87 0.00 0.00 54.58 52.49 3l5p n ASN 105 Cb 0.27 -0.58 -0.16 0.00 -1.02 0.00 0.00 39.78 38.29 3l5p n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3l5p s VAL 106 N -2.27 1.57 0.25 2.41 1.01 -1.08 -4.90 120.40 117.39 3l5p s VAL 106 Ca 0.48 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 3l5p s VAL 106 Cb 0.34 -1.65 -0.08 0.00 0.00 0.00 0.00 36.38 34.99 3l5p s VAL 106 CO 0.18 0.18 0.70 -0.83 0.00 0.00 0.00 175.10 175.33 3l5p s GLY 107 N 1.43 2.50 -0.28 4.51 0.00 -1.26 -2.42 107.32 111.80 3l5p s GLY 107 Ca -0.01 0.08 -0.24 0.00 0.00 0.00 0.00 44.72 44.55 3l5p s GLY 107 CO -0.08 0.37 1.02 0.86 0.00 0.00 0.00 173.10 175.27 3l5p s TRP 108 N -1.68 -0.49 -1.30 1.90 -0.00 0.77 -4.94 118.94 113.20 3l5p s TRP 108 Ca 0.46 1.17 -0.00 0.00 -0.00 0.00 0.00 56.10 57.73 3l5p s TRP 108 Cb -0.14 0.36 -0.00 0.00 -0.00 0.00 0.00 33.47 33.69 3l5p s TRP 108 CO 0.20 -0.24 0.71 -1.71 -0.00 0.00 0.00 176.95 175.91 3l5p n ASN 109 N 2.39 -1.26 0.00 5.86 4.05 -1.26 -1.47 115.26 123.56 3l5p n ASN 109 Ca -0.13 -0.81 0.00 0.00 0.45 0.00 0.00 54.58 54.09 3l5p n ASN 109 Cb 0.56 -4.10 0.00 0.00 1.23 0.00 0.00 39.78 37.47 3l5p n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3l5p n ASN 110 N -3.06 -0.75 0.00 1.20 3.02 -1.26 -4.89 115.26 109.52 3l5p n ASN 110 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3l5p n ASN 110 Cb 0.68 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 3l5p n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3l5p n SER 111 N -0.07 0.00 -2.96 6.41 2.88 -0.54 -5.19 113.62 114.15 3l5p n SER 111 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3l5p n SER 111 Cb 0.04 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 3l5p n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3l5p n THR 112 N 0.00 0.00 1.06 2.46 -2.24 -1.26 -0.16 114.28 114.14 3l5p n THR 112 Ca 0.00 -1.12 0.08 0.00 -2.27 0.00 0.00 64.05 60.74 3l5p n THR 112 Cb 0.00 0.31 0.28 0.00 -2.10 0.00 0.00 70.33 68.81 3l5p n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3l5p n PHE 113 N -0.52 0.33 -3.27 4.78 3.72 -1.01 -4.59 117.46 116.90 3l5p n PHE 113 Ca -0.07 -0.17 -0.46 0.00 -0.05 0.00 0.00 57.45 56.71 3l5p n PHE 113 Cb 0.30 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 3l5p n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3l5p s ALA 114 N -1.67 3.81 -0.88 4.37 0.00 -1.21 -4.75 121.76 121.44 3l5p s ALA 114 Ca 0.28 -2.89 0.09 0.00 0.00 0.00 0.00 51.96 49.45 3l5p s ALA 114 Cb 0.15 -3.47 0.20 0.00 0.00 0.00 0.00 23.12 20.00 3l5p s ALA 114 CO 0.22 -2.25 1.10 1.28 0.00 0.00 0.00 175.76 176.11 3l5p n LEU 115 N 4.87 2.50 -0.02 0.00 4.77 -1.26 -4.66 117.00 123.19 3l5p n LEU 115 Ca 0.02 -1.73 0.07 0.00 -0.03 0.00 0.00 56.01 54.34 3l5p n LEU 115 Cb 0.44 -0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.23 3l5p n LEU 115 CO 0.44 0.60 -0.79 -0.62 -1.33 0.00 0.00 177.39 175.69 3l5p n GLU 116 N 0.39 0.66 -4.15 3.23 4.71 -1.26 -5.01 120.64 119.22 3l5p n GLU 116 Ca 0.08 -0.14 -0.10 0.00 -0.01 0.00 0.00 57.16 57.00 3l5p n GLU 116 Cb 0.35 -1.54 -0.10 0.00 -1.01 0.00 0.00 31.44 29.14 3l5p n GLU 116 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3l5p s HIS 117 N -3.31 0.79 0.00 -0.32 3.76 -1.26 -5.33 115.29 109.62 3l5p s HIS 117 Ca -0.08 -0.96 0.00 0.00 -0.15 0.00 0.00 55.06 53.87 3l5p s HIS 117 Cb 0.12 -0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.33 3l5p s HIS 117 CO 0.89 -0.22 0.03 0.72 -0.85 0.00 0.00 174.74 175.31