#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 0.63 -0.12 -0.52 1.75 0.04 -0.94 119.30 120.14 3l5p s MET 2 Ca 0.00 0.05 0.03 0.00 -1.25 0.00 0.00 55.69 54.52 3l5p s MET 2 Cb 0.00 -0.89 0.01 0.00 2.84 0.00 0.00 34.83 36.79 3l5p s MET 2 CO 0.00 -0.23 -0.21 0.12 -0.65 0.00 0.00 175.02 174.05 3l5p s PHE 3 N 1.61 2.50 -0.08 4.11 5.36 -0.42 -0.64 117.98 130.42 3l5p s PHE 3 Ca -0.01 -1.17 0.05 0.00 -0.96 0.00 0.00 56.93 54.84 3l5p s PHE 3 Cb -0.13 -1.70 -0.01 0.00 -0.34 0.00 0.00 43.02 40.84 3l5p s PHE 3 CO -0.04 -0.52 -0.23 0.42 -1.46 0.00 0.00 175.22 173.39 3l5p s ILE 4 N 0.68 2.23 -0.14 3.12 -1.09 -0.14 -1.31 121.20 124.55 3l5p s ILE 4 Ca -0.11 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.34 3l5p s ILE 4 Cb -0.16 -1.84 0.02 0.00 -1.58 0.00 0.00 42.46 38.89 3l5p s ILE 4 CO 0.02 0.56 -0.18 0.68 -1.23 0.00 0.00 174.94 174.79 3l5p s VAL 5 N 0.04 1.80 -0.14 2.92 -7.23 0.17 -1.37 120.40 116.58 3l5p s VAL 5 Ca -0.09 -0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 3l5p s VAL 5 Cb -0.15 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 3l5p s VAL 5 CO 0.06 0.50 -0.05 0.20 -0.31 0.00 0.00 175.10 175.50 3l5p s ASN 6 N 1.06 4.72 0.01 4.85 0.01 -0.36 -0.18 114.94 125.06 3l5p s ASN 6 Ca -0.03 -0.13 -0.12 0.00 -0.71 0.00 0.00 52.86 51.87 3l5p s ASN 6 Cb -0.14 -1.71 0.01 0.00 0.41 0.00 0.00 41.25 39.82 3l5p s ASN 6 CO -0.05 0.19 0.25 0.28 -1.51 0.00 0.00 177.10 176.26 3l5p s THR 7 N 0.24 0.08 -2.18 1.60 -1.32 -0.37 -1.08 115.64 112.61 3l5p s THR 7 Ca -0.03 -0.64 0.29 0.00 -1.21 0.00 0.00 61.69 60.10 3l5p s THR 7 Cb -0.14 -0.71 0.61 0.00 -1.51 0.00 0.00 72.50 70.75 3l5p s THR 7 CO 0.03 -0.35 1.88 -0.46 -2.21 0.00 0.00 174.62 173.51 3l5p n ASN 8 N 1.04 0.90 -4.76 8.08 6.94 -1.23 -1.33 115.26 124.90 3l5p n ASN 8 Ca -0.21 -1.18 -0.41 0.00 -0.02 0.00 0.00 54.58 52.77 3l5p n ASN 8 Cb 0.57 -0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.97 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 -2.11 2.53 0.66 3.53 1.01 -1.26 -4.25 120.40 120.50 3l5p s VAL 9 Ca 0.38 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.68 3l5p s VAL 9 Cb 0.21 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3l5p s VAL 9 CO 0.38 0.09 1.19 -2.16 0.00 0.00 0.00 175.10 174.60 3l5p s PRO 10 N -1.07 2.60 0.28 2.72 0.04 -1.26 -1.03 135.00 137.28 3l5p s PRO 10 Ca 0.56 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.30 3l5p s PRO 10 Cb -0.42 -1.89 0.42 0.00 0.04 0.00 0.00 34.50 32.64 3l5p s PRO 10 CO 0.50 -1.47 1.93 -0.09 0.04 0.00 0.00 177.00 177.91 3l5p h ARG 11 N 0.26 1.12 0.00 4.56 2.43 -1.93 -1.41 114.38 119.41 3l5p h ARG 11 Ca -0.49 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3l5p h ARG 11 Cb 1.29 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3l5p h ARG 11 CO 0.53 0.74 -0.00 0.00 -1.51 0.00 0.00 179.97 179.73 3l5p h ALA 12 N 1.46 1.02 -0.01 2.80 0.00 -2.03 -1.27 119.26 121.24 3l5p h ALA 12 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3l5p h ALA 12 Cb -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3l5p h ALA 12 CO -0.11 0.00 -0.16 0.43 0.00 0.00 0.00 179.25 179.42 3l5p n SER 13 N -3.12 0.97 -4.64 0.00 7.64 -0.53 -4.76 113.62 109.19 3l5p n SER 13 Ca -0.03 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.48 3l5p n SER 13 Cb 0.10 0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.32 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 -2.37 4.73 0.42 0.44 1.01 -0.48 -4.73 120.40 119.41 3l5p s VAL 14 Ca 0.29 1.57 -0.23 0.00 0.00 0.00 0.00 61.98 63.60 3l5p s VAL 14 Cb 0.20 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 3l5p s VAL 14 CO 0.46 -0.23 1.05 -2.16 0.00 0.00 0.00 175.10 174.22 3l5p s PRO 15 N 3.11 4.09 0.20 2.72 0.04 -1.26 -4.98 135.00 138.91 3l5p s PRO 15 Ca 0.38 1.48 -0.32 0.00 0.04 0.00 0.00 61.00 62.58 3l5p s PRO 15 Cb -0.14 -2.45 -0.14 0.00 0.04 0.00 0.00 34.50 31.80 3l5p s PRO 15 CO 0.10 -0.20 1.32 -0.25 0.04 0.00 0.00 177.00 178.01 3l5p n ASP 16 N -0.25 2.18 0.00 6.66 10.43 -1.26 -2.09 116.55 132.22 3l5p n ASP 16 Ca 0.06 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.55 3l5p n ASP 16 Cb 0.50 -1.33 0.00 0.00 1.84 0.00 0.00 41.12 42.13 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 2.22 0.28 0.14 0.44 0.00 -1.26 -4.98 105.19 102.03 3l5p n GLY 17 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 0.40 -0.62 1.61 3.57 -1.80 -0.05 116.94 120.05 3l5p h PHE 18 Ca 0.00 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3l5p h PHE 18 Cb 0.00 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3l5p h PHE 18 CO 0.00 0.40 0.23 -0.07 -2.23 0.00 0.00 178.31 176.64 3l5p h LEU 19 N 0.28 0.83 -0.57 0.59 3.38 -1.94 -1.28 115.31 116.61 3l5p h LEU 19 Ca 0.09 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3l5p h LEU 19 Cb 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3l5p h LEU 19 CO -0.01 0.76 -0.43 0.28 0.09 0.00 0.00 178.44 179.13 3l5p h SER 20 N 0.89 0.71 -0.32 -0.43 0.02 -1.88 -0.74 113.55 111.80 3l5p h SER 20 Ca 0.21 -0.33 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 3l5p h SER 20 Cb 0.19 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3l5p h SER 20 CO -0.02 1.04 -0.12 -0.08 -1.14 0.00 0.00 176.83 176.52 3l5p h GLU 21 N 0.54 0.65 -0.61 3.45 4.81 -0.68 -1.04 114.58 121.69 3l5p h GLU 21 Ca 0.04 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.03 3l5p h GLU 21 Cb 0.96 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 3l5p h GLU 21 CO 0.09 0.85 0.37 -0.07 -0.73 0.00 0.00 179.01 179.52 3l5p h LEU 22 N 0.42 0.60 0.02 1.64 3.38 -1.14 -0.48 115.31 119.75 3l5p h LEU 22 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3l5p h LEU 22 Cb 0.64 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3l5p h LEU 22 CO 0.04 0.41 -0.01 0.74 0.09 0.00 0.00 178.44 179.71 3l5p h THR 23 N 0.72 1.02 -0.49 0.22 2.02 -0.94 -0.88 112.91 114.57 3l5p h THR 23 Ca 0.25 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.22 3l5p h THR 23 Cb 0.04 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3l5p h THR 23 CO -0.11 0.03 -0.03 0.06 0.37 0.00 0.00 175.52 175.84 3l5p h GLN 24 N -0.09 0.89 -0.05 6.66 3.07 -1.00 -1.11 115.11 123.48 3l5p h GLN 24 Ca -0.00 -0.30 -0.14 0.00 0.09 0.00 0.00 58.65 58.29 3l5p h GLN 24 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 3l5p h GLN 24 CO 0.01 0.94 -0.62 1.96 0.09 0.00 0.00 178.83 181.20 3l5p h GLN 25 N 0.75 0.19 -0.06 0.06 1.08 -1.04 -2.02 115.11 114.06 3l5p h GLN 25 Ca 0.14 -0.13 -0.20 0.00 -1.45 0.00 0.00 58.65 57.00 3l5p h GLN 25 Cb 0.55 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 3l5p h GLN 25 CO 0.03 0.75 -0.80 -0.07 -0.95 0.00 0.00 178.83 177.79 3l5p h LEU 26 N 0.14 0.55 -0.21 1.46 3.38 -1.07 -1.22 115.31 118.34 3l5p h LEU 26 Ca -0.01 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.60 3l5p h LEU 26 Cb 1.12 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3l5p h LEU 26 CO 0.09 1.15 0.05 0.00 0.09 0.00 0.00 178.44 179.82 3l5p h ALA 27 N 0.83 0.22 -0.29 1.53 0.00 -1.07 -0.42 119.26 120.06 3l5p h ALA 27 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3l5p h ALA 27 Cb 1.40 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3l5p h ALA 27 CO 0.14 -0.38 0.19 0.37 0.00 0.00 0.00 179.25 179.57 3l5p h GLN 28 N 0.13 0.39 -0.11 0.00 5.75 -1.28 -1.66 115.11 118.34 3l5p h GLN 28 Ca 0.09 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.41 3l5p h GLN 28 Cb 0.09 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3l5p h GLN 28 CO -0.12 0.27 -0.59 0.00 -2.65 0.00 0.00 178.83 175.74 3l5p h ALA 29 N 1.09 0.79 0.00 3.38 0.00 -1.00 -3.16 119.26 120.36 3l5p h ALA 29 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3l5p h ALA 29 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3l5p h ALA 29 CO -0.02 0.71 -0.66 0.25 0.00 0.00 0.00 179.25 179.53 3l5p n THR 30 N -3.90 0.16 -1.00 0.00 -2.24 -0.18 -4.94 114.28 102.17 3l5p n THR 30 Ca -0.03 -0.15 -0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3l5p n THR 30 Cb 0.61 0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.42 0.47 3.80 3.38 0.00 -0.64 -4.97 105.19 108.64 3l5p n GLY 31 Ca 0.04 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.19 3.00 0.66 1.61 -0.14 -1.12 -5.04 119.74 118.52 3l5p s LYS 32 Ca 0.00 -0.62 -0.18 0.00 -1.36 0.00 0.00 55.97 53.82 3l5p s LYS 32 Cb 0.00 -2.80 -0.00 0.00 -1.68 0.00 0.00 37.83 33.35 3l5p s LYS 32 CO 0.00 0.59 1.29 -2.14 -0.76 0.00 0.00 175.35 174.33 3l5p s PRO 33 N -2.30 2.46 0.55 -1.68 0.02 -1.26 -4.51 135.00 128.28 3l5p s PRO 33 Ca 0.29 2.05 0.26 0.00 0.02 0.00 0.00 61.00 63.62 3l5p s PRO 33 Cb -0.12 -1.84 1.48 0.00 0.02 0.00 0.00 34.50 34.04 3l5p s PRO 33 CO 0.22 -1.67 2.04 -1.35 -0.33 0.00 0.00 177.00 175.91 3l5p h PRO 34 N 0.41 0.00 -0.24 5.54 0.11 -1.91 0.31 132.00 136.22 3l5p h PRO 34 Ca -0.51 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.67 3l5p h PRO 34 Cb 1.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 3l5p h PRO 34 CO 0.52 0.00 0.18 0.37 -0.21 0.00 0.00 178.00 178.87 3l5p h GLN 35 N 0.00 0.00 0.00 1.05 4.15 -1.97 -1.89 115.11 116.44 3l5p h GLN 35 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3l5p h GLN 35 Cb 0.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3l5p h GLN 35 CO -0.00 0.00 -0.13 0.66 -1.93 0.00 0.00 178.83 177.42 3l5p n TYR 36 N -4.34 0.28 -3.48 3.99 4.02 0.10 -4.88 117.16 112.85 3l5p n TYR 36 Ca 0.03 0.08 -0.38 0.00 -0.01 0.00 0.00 57.90 57.62 3l5p n TYR 36 Cb 0.33 -0.58 -0.08 0.00 -0.02 0.00 0.00 39.34 38.99 3l5p n TYR 36 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3l5p s ILE 37 N -3.04 5.25 -0.08 -0.72 -1.09 -0.71 -1.78 121.20 119.03 3l5p s ILE 37 Ca 0.12 0.53 0.02 0.00 -2.23 0.00 0.00 60.65 59.10 3l5p s ILE 37 Cb 0.17 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 3l5p s ILE 37 CO 0.59 0.28 -0.14 0.00 -1.23 0.00 0.00 174.94 174.44 3l5p s ALA 38 N 1.23 2.66 0.07 9.38 0.00 -0.12 -4.99 121.76 130.00 3l5p s ALA 38 Ca 0.15 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.22 3l5p s ALA 38 Cb -0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 3l5p s ALA 38 CO 0.07 0.45 -0.15 0.14 0.00 0.00 0.00 175.76 176.28 3l5p s VAL 39 N -0.37 1.15 -0.16 0.00 -7.23 -1.26 -1.30 120.40 111.23 3l5p s VAL 39 Ca 0.04 -1.33 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 3l5p s VAL 39 Cb -0.12 -1.11 0.07 0.00 0.56 0.00 0.00 36.38 35.78 3l5p s VAL 39 CO 0.02 -0.22 0.33 -2.28 -0.31 0.00 0.00 175.10 172.64 3l5p s HIS 40 N -1.28 -0.57 -0.11 2.82 5.04 -0.43 -4.97 115.29 115.78 3l5p s HIS 40 Ca -0.01 1.19 0.03 0.00 -1.54 0.00 0.00 55.06 54.72 3l5p s HIS 40 Cb -0.10 0.12 0.01 0.00 0.04 0.00 0.00 32.58 32.65 3l5p s HIS 40 CO 0.02 -0.39 -0.20 0.08 -2.34 0.00 0.00 174.74 171.91 3l5p s VAL 41 N 2.29 1.86 -0.36 0.89 1.01 -1.26 -0.65 120.40 124.17 3l5p s VAL 41 Ca -0.02 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3l5p s VAL 41 Cb -0.11 -1.64 0.11 0.00 0.00 0.00 0.00 36.38 34.73 3l5p s VAL 41 CO -0.10 0.51 0.11 -0.69 0.00 0.00 0.00 175.10 174.93 3l5p s VAL 42 N 0.69 1.76 0.86 2.92 1.01 0.75 -4.99 120.40 123.39 3l5p s VAL 42 Ca -0.11 -2.18 -0.10 0.00 0.00 0.00 0.00 61.98 59.59 3l5p s VAL 42 Cb -0.16 -2.29 0.17 0.00 0.00 0.00 0.00 36.38 34.10 3l5p s VAL 42 CO 0.02 -0.68 1.19 -2.16 0.00 0.00 0.00 175.10 173.46 3l5p s PRO 43 N 0.93 1.11 -1.69 2.72 0.04 -1.26 -1.24 135.00 135.62 3l5p s PRO 43 Ca 0.12 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.50 3l5p s PRO 43 Cb -0.20 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3l5p s PRO 43 CO -0.12 -1.99 0.00 -0.25 0.04 0.00 0.00 177.00 174.68 3l5p n ASP 44 N -3.37 -5.52 -4.83 6.66 8.00 -0.20 -4.82 116.55 112.46 3l5p n ASP 44 Ca 0.15 0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.35 3l5p n ASP 44 Cb 0.60 -4.58 -0.06 0.00 -0.02 0.00 0.00 41.12 37.06 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 -4.82 4.14 -0.73 -1.24 -1.52 -0.44 -4.94 119.66 110.10 3l5p s GLN 45 Ca 0.00 0.87 -0.23 0.00 -1.95 0.00 0.00 55.36 54.04 3l5p s GLN 45 Cb 0.00 -2.44 0.07 0.00 -0.22 0.00 0.00 33.01 30.41 3l5p s GLN 45 CO 0.00 0.14 1.10 -1.17 -0.25 0.00 0.00 175.29 175.11 3l5p s LEU 46 N -2.85 4.08 0.13 2.90 2.96 -1.26 -4.10 118.68 120.55 3l5p s LEU 46 Ca 0.55 -1.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 3l5p s LEU 46 Cb -0.11 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 3l5p s LEU 46 CO 0.17 -1.51 0.18 0.00 -1.32 0.00 0.00 176.35 173.87 3l5p s MET 47 N 4.41 1.00 0.03 1.98 0.23 -1.26 -5.08 119.30 120.61 3l5p s MET 47 Ca 0.28 -1.21 -0.00 0.00 -1.03 0.00 0.00 55.69 53.73 3l5p s MET 47 Cb -0.12 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.47 3l5p s MET 47 CO 0.08 -0.33 -0.04 0.00 -2.03 0.00 0.00 175.02 172.71 3l5p s ALA 48 N -3.97 0.32 -0.08 3.16 0.00 -1.26 -4.65 121.76 115.29 3l5p s ALA 48 Ca 0.16 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 3l5p s ALA 48 Cb 0.05 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.38 3l5p s ALA 48 CO -0.02 -0.22 -0.01 0.12 0.00 0.00 0.00 175.76 175.63 3l5p s PHE 49 N -2.36 0.76 -1.73 0.00 2.19 -0.49 -4.72 117.98 111.63 3l5p s PHE 49 Ca -0.07 -0.23 0.00 0.00 0.33 0.00 0.00 56.93 56.96 3l5p s PHE 49 Cb -0.03 -0.85 0.00 0.00 -1.31 0.00 0.00 43.02 40.83 3l5p s PHE 49 CO -0.04 -0.35 0.00 0.41 1.83 0.00 0.00 175.22 177.07 3l5p n GLY 50 N 5.10 1.46 2.08 13.12 0.00 -1.26 -2.08 105.19 123.61 3l5p n GLY 50 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.94 0.88 3.67 -0.02 0.00 -1.26 -5.04 105.19 102.48 3l5p n GLY 51 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.01 5.03 -0.12 1.61 0.15 -0.88 -5.02 113.70 111.45 3l5p s SER 52 Ca 0.00 -0.09 0.18 0.00 0.70 0.00 0.00 55.95 56.74 3l5p s SER 52 Cb 0.00 -1.26 0.71 0.00 -1.71 0.00 0.00 66.02 63.76 3l5p s SER 52 CO 0.00 0.24 1.62 -1.54 1.20 0.00 0.00 173.24 174.76 3l5p n SER 53 N 1.10 4.75 -4.57 5.45 3.41 -1.26 -1.39 113.62 121.11 3l5p n SER 53 Ca -0.13 -2.50 -0.31 0.00 -0.26 0.00 0.00 58.87 55.66 3l5p n SER 53 Cb 0.52 -0.57 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 3l5p n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3l5p n GLU 54 N 0.98 -0.64 -1.62 4.33 1.02 -1.26 -4.84 120.64 118.61 3l5p n GLU 54 Ca 0.25 -0.13 -0.48 0.00 -0.02 0.00 0.00 57.16 56.78 3l5p n GLU 54 Cb 0.90 -2.20 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 3l5p n GLU 54 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3l5p n PRO 55 N -3.57 1.53 -4.01 3.49 -0.02 -1.26 -4.84 135.00 126.32 3l5p n PRO 55 Ca 0.09 0.55 -0.10 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 -3.84 -0.68 -0.16 0.00 0.00 -0.64 -3.56 121.76 112.88 3l5p s ALA 57 Ca 0.24 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3l5p s ALA 57 Cb -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.71 3l5p s ALA 57 CO 0.10 -0.14 -0.15 -0.51 0.00 0.00 0.00 175.76 175.06 3l5p s LEU 58 N -0.01 2.45 0.20 0.00 1.43 -0.24 -1.70 118.68 120.81 3l5p s LEU 58 Ca -0.01 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3l5p s LEU 58 Cb -0.02 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 3l5p s LEU 58 CO 0.01 0.07 -0.10 0.00 0.23 0.00 0.00 176.35 176.56 3l5p s SER 60 N -3.28 0.13 -0.13 0.00 0.01 -0.47 -0.90 113.70 109.05 3l5p s SER 60 Ca 0.22 -0.27 -0.00 0.00 1.31 0.00 0.00 55.95 57.21 3l5p s SER 60 Cb 0.02 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.33 3l5p s SER 60 CO 0.06 -0.16 -0.09 -0.22 0.41 0.00 0.00 173.24 173.23 3l5p s LEU 61 N -0.80 1.40 -0.15 2.44 2.96 -0.29 -0.97 118.68 123.27 3l5p s LEU 61 Ca -0.09 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 3l5p s LEU 61 Cb -0.05 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 3l5p s LEU 61 CO -0.01 -0.12 -0.00 -1.00 -1.32 0.00 0.00 176.35 173.91 3l5p s HIS 62 N 1.64 3.12 -0.05 5.38 3.76 0.19 -0.98 115.29 128.35 3l5p s HIS 62 Ca 0.04 -0.08 -0.11 0.00 -0.15 0.00 0.00 55.06 54.75 3l5p s HIS 62 Cb -0.13 -1.96 0.02 0.00 1.11 0.00 0.00 32.58 31.62 3l5p s HIS 62 CO -0.09 0.13 0.27 0.45 -0.85 0.00 0.00 174.74 174.65 3l5p s SER 63 N 0.10 -0.20 -0.73 1.40 0.15 -0.73 -0.78 113.70 112.91 3l5p s SER 63 Ca 0.02 0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.66 3l5p s SER 63 Cb -0.13 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.64 3l5p s SER 63 CO 0.02 -0.28 1.17 -0.63 1.20 0.00 0.00 173.24 174.72 3l5p s ILE 64 N -0.70 3.96 0.02 6.45 1.01 -1.26 -0.72 121.20 129.96 3l5p s ILE 64 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3l5p s ILE 64 Cb -0.04 -4.84 0.00 0.00 0.01 0.00 0.00 42.46 37.59 3l5p s ILE 64 CO 0.02 -1.72 0.00 0.61 0.00 0.00 0.00 174.94 173.85 3l5p n GLY 65 N 5.42 -2.01 2.49 6.18 0.00 -1.26 -4.94 105.19 111.08 3l5p n GLY 65 Ca 0.02 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.32 -5.00 1.61 4.76 -1.26 -4.90 118.16 111.23 3l5p n LYS 66 Ca 0.00 1.08 -0.32 0.00 -2.87 0.00 0.00 58.31 56.20 3l5p n LYS 66 Cb 0.05 -5.42 -0.16 0.00 -1.84 0.00 0.00 35.03 27.66 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 -2.74 2.58 0.00 -0.18 -1.09 -1.26 -4.83 121.20 113.68 3l5p s ILE 67 Ca 0.00 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 3l5p s ILE 67 Cb 0.00 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 3l5p s ILE 67 CO 0.00 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3l5p n GLY 68 N 3.43 -0.69 0.12 6.18 0.00 -1.26 -4.99 105.19 107.97 3l5p n GLY 68 Ca -0.18 -1.03 -0.04 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.52 1.47 -0.02 0.00 -1.99 0.18 103.07 101.19 3l5p h GLY 69 Ca 0.00 0.71 -0.16 0.00 0.00 0.00 0.00 47.33 47.89 3l5p h GLY 69 CO 0.00 -0.52 -0.53 0.00 0.00 0.00 0.00 176.54 175.49 3l5p h ALA 70 N -1.08 0.71 -0.63 3.60 0.00 -2.00 -2.69 119.26 117.18 3l5p h ALA 70 Ca 0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3l5p h ALA 70 Cb 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3l5p h ALA 70 CO -0.13 0.68 0.25 1.96 0.00 0.00 0.00 179.25 182.02 3l5p h GLN 71 N 0.44 0.93 -0.25 0.00 4.20 -1.89 -1.95 115.11 116.58 3l5p h GLN 71 Ca 0.01 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 3l5p h GLN 71 Cb 1.07 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 3l5p h GLN 71 CO 0.10 0.79 -0.31 -0.91 -0.67 0.00 0.00 178.83 177.83 3l5p h ASN 72 N 0.87 0.54 -0.40 1.46 2.35 -0.52 0.09 115.58 119.96 3l5p h ASN 72 Ca 0.21 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3l5p h ASN 72 Cb 0.20 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3l5p h ASN 72 CO -0.02 0.82 0.04 0.03 -1.65 0.00 0.00 177.43 176.65 3l5p h ARG 73 N 0.45 0.77 -0.34 0.81 3.08 -1.26 -0.46 114.38 117.43 3l5p h ARG 73 Ca 0.06 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 3l5p h ARG 73 Cb 0.76 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3l5p h ARG 73 CO 0.06 0.76 -0.19 1.03 -1.07 0.00 0.00 179.97 180.55 3l5p h SER 74 N 0.73 0.75 -0.84 7.04 0.87 -0.69 -1.84 113.55 119.56 3l5p h SER 74 Ca 0.15 -0.42 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 3l5p h SER 74 Cb 0.39 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3l5p h SER 74 CO 0.01 1.00 0.54 1.88 -0.53 0.00 0.00 176.83 179.74 3l5p h TYR 75 N 0.49 1.07 -0.61 2.24 0.05 -0.77 -1.73 116.97 117.71 3l5p h TYR 75 Ca 0.07 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.80 3l5p h TYR 75 Cb 0.74 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3l5p h TYR 75 CO 0.06 0.68 0.11 0.77 -1.05 0.00 0.00 178.16 178.73 3l5p h SER 76 N 1.14 0.97 -0.28 3.88 0.02 -0.88 0.17 113.55 118.57 3l5p h SER 76 Ca 0.31 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3l5p h SER 76 Cb -0.11 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 3l5p h SER 76 CO -0.06 0.98 0.14 0.50 -1.14 0.00 0.00 176.83 177.24 3l5p h LYS 77 N 0.92 0.41 0.14 3.45 3.64 -1.14 0.30 116.57 124.28 3l5p h LYS 77 Ca 0.19 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3l5p h LYS 77 Cb 0.42 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3l5p h LYS 77 CO 0.01 0.39 -0.07 1.25 -2.27 0.00 0.00 179.45 178.77 3l5p h LEU 78 N 0.32 -0.16 -0.12 5.20 5.85 -0.98 -1.81 115.31 123.62 3l5p h LEU 78 Ca 0.10 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.58 3l5p h LEU 78 Cb 0.12 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.20 3l5p h LEU 78 CO -0.01 -0.11 -0.90 -0.07 -0.34 0.00 0.00 178.44 177.00 3l5p h LEU 79 N -0.19 0.86 -1.13 2.25 3.38 -0.59 -2.04 115.31 117.85 3l5p h LEU 79 Ca -0.02 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 3l5p h LEU 79 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3l5p h LEU 79 CO 0.03 1.42 0.21 0.00 0.09 0.00 0.00 178.44 180.20 3l5p h GLY 81 N 0.95 0.76 1.00 0.00 0.00 -1.11 -0.78 103.07 103.90 3l5p h GLY 81 Ca 0.19 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3l5p h GLY 81 CO -0.02 0.35 0.05 1.41 0.00 0.00 0.00 176.54 178.34 3l5p h LEU 82 N 0.66 0.85 -1.04 3.11 3.38 -1.10 -1.29 115.31 119.87 3l5p h LEU 82 Ca 0.17 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3l5p h LEU 82 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3l5p h LEU 82 CO -0.02 0.92 -0.20 -0.07 0.09 0.00 0.00 178.44 179.15 3l5p h LEU 83 N 0.75 0.44 -0.08 1.67 3.38 -1.03 0.13 115.31 120.58 3l5p h LEU 83 Ca 0.15 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3l5p h LEU 83 Cb 0.45 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.09 3l5p h LEU 83 CO 0.02 0.65 -0.41 0.00 0.09 0.00 0.00 178.44 178.79 3l5p h ALA 84 N 1.39 0.15 -0.12 1.53 0.00 -1.00 -1.32 119.26 119.88 3l5p h ALA 84 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3l5p h ALA 84 Cb 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3l5p h ALA 84 CO 0.04 0.27 -0.16 1.49 0.00 0.00 0.00 179.25 180.89 3l5p h GLU 85 N -0.06 0.31 0.14 0.00 4.81 -1.13 -1.90 114.58 116.76 3l5p h GLU 85 Ca -0.03 -0.18 -0.34 0.00 -0.13 0.00 0.00 59.36 58.68 3l5p h GLU 85 Cb 1.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3l5p h GLU 85 CO 0.08 0.75 -1.78 0.00 -0.73 0.00 0.00 179.01 177.33 3l5p h ARG 86 N -0.10 0.29 -0.01 1.92 2.47 -0.85 -3.38 114.38 114.72 3l5p h ARG 86 Ca 0.01 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3l5p h ARG 86 Cb 0.71 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 3l5p h ARG 86 CO 0.04 1.17 -0.09 1.28 0.56 0.00 0.00 179.97 182.93 3l5p n LEU 87 N -3.48 1.48 -2.58 3.04 4.77 -0.59 -4.62 117.00 115.02 3l5p n LEU 87 Ca -0.25 -0.89 -0.19 0.00 -0.03 0.00 0.00 56.01 54.66 3l5p n LEU 87 Cb 1.06 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.18 3l5p n LEU 87 CO 0.48 0.29 -0.01 0.54 -1.33 0.00 0.00 177.39 177.36 3l5p n ARG 88 N 0.14 -4.08 -3.58 3.23 1.74 -0.66 -4.95 116.66 108.50 3l5p n ARG 88 Ca 0.05 0.79 -0.36 0.00 -0.77 0.00 0.00 57.85 57.55 3l5p n ARG 88 Cb 0.22 -5.38 -0.08 0.00 -1.02 0.00 0.00 32.46 26.20 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 -3.08 5.33 0.23 0.55 1.01 -0.88 -4.92 121.20 119.44 3l5p s ILE 89 Ca 0.25 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 3l5p s ILE 89 Cb -0.11 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.68 3l5p s ILE 89 CO 0.31 0.38 1.40 -0.55 0.00 0.00 0.00 174.94 176.48 3l5p s SER 90 N 0.58 6.73 0.49 3.58 0.15 -1.26 -3.32 113.70 120.64 3l5p s SER 90 Ca 0.14 2.58 0.22 0.00 0.70 0.00 0.00 55.95 59.59 3l5p s SER 90 Cb -0.13 -2.62 1.27 0.00 -1.71 0.00 0.00 66.02 62.83 3l5p s SER 90 CO 0.03 -0.65 1.96 -0.65 1.20 0.00 0.00 173.24 175.13 3l5p h PRO 91 N 5.17 0.16 -0.06 5.44 0.11 -1.97 -0.09 132.00 140.76 3l5p h PRO 91 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3l5p h PRO 91 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3l5p h PRO 91 CO 0.78 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 3l5p n ASP 92 N -4.41 0.34 -0.59 -2.05 5.68 -1.26 -2.56 116.55 111.70 3l5p n ASP 92 Ca 0.12 -1.82 0.06 0.00 -0.50 0.00 0.00 54.79 52.65 3l5p n ASP 92 Cb 0.60 -0.04 0.18 0.00 -1.14 0.00 0.00 41.12 40.72 3l5p n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3l5p n ARG 93 N -0.40 1.35 -5.10 0.11 1.74 -0.05 -5.00 116.66 109.31 3l5p n ARG 93 Ca 0.06 -3.01 -0.30 0.00 -0.77 0.00 0.00 57.85 53.83 3l5p n ARG 93 Cb 0.08 -1.42 -0.17 0.00 -1.02 0.00 0.00 32.46 29.93 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 -2.81 1.85 -0.05 1.55 1.01 -1.06 -1.62 120.40 119.28 3l5p s VAL 94 Ca 0.36 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3l5p s VAL 94 Cb 0.35 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3l5p s VAL 94 CO -0.06 0.52 -0.16 -0.31 0.00 0.00 0.00 175.10 175.08 3l5p s TYR 95 N 0.14 2.64 -0.14 5.22 2.02 -0.69 -4.99 117.35 121.55 3l5p s TYR 95 Ca -0.10 -0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 3l5p s TYR 95 Cb -0.15 -1.61 0.03 0.00 -0.40 0.00 0.00 41.96 39.82 3l5p s TYR 95 CO 0.05 0.13 -0.09 0.42 -1.57 0.00 0.00 175.55 174.49 3l5p s ILE 96 N -0.67 1.23 -0.15 2.71 1.01 -1.26 -0.35 121.20 123.71 3l5p s ILE 96 Ca 0.10 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 3l5p s ILE 96 Cb -0.11 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3l5p s ILE 96 CO 0.00 0.34 0.53 0.20 0.00 0.00 0.00 174.94 176.01 3l5p s ASN 97 N 1.62 6.66 -0.16 3.58 0.01 -0.08 -4.96 114.94 121.61 3l5p s ASN 97 Ca 0.04 0.79 -0.08 0.00 -0.71 0.00 0.00 52.86 52.91 3l5p s ASN 97 Cb -0.13 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 3l5p s ASN 97 CO -0.09 -0.11 0.10 -0.31 -1.51 0.00 0.00 177.10 175.18 3l5p s TYR 98 N 1.17 3.40 -0.14 2.20 2.02 -1.26 -1.14 117.35 123.60 3l5p s TYR 98 Ca 0.27 0.30 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 3l5p s TYR 98 Cb -0.16 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 3l5p s TYR 98 CO 0.11 0.40 -0.15 0.71 -1.57 0.00 0.00 175.55 175.05 3l5p s TYR 99 N -0.15 2.12 -0.55 2.71 2.02 -0.15 -4.97 117.35 118.37 3l5p s TYR 99 Ca 0.09 -1.13 -0.21 0.00 -0.37 0.00 0.00 57.07 55.45 3l5p s TYR 99 Cb -0.12 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 39.95 3l5p s TYR 99 CO 0.01 -0.61 0.79 0.34 -1.57 0.00 0.00 175.55 174.51 3l5p s ASP 100 N 1.32 6.25 0.07 2.29 2.15 -1.26 -1.78 116.67 125.71 3l5p s ASP 100 Ca 0.01 -0.78 -0.23 0.00 0.43 0.00 0.00 52.55 51.98 3l5p s ASP 100 Cb -0.13 -2.36 -0.06 0.00 -0.30 0.00 0.00 42.92 40.06 3l5p s ASP 100 CO -0.08 -1.11 0.68 -0.04 -0.17 0.00 0.00 175.17 174.46 3l5p s MET 101 N 3.29 4.41 0.22 4.34 -1.94 0.10 -4.89 119.30 124.82 3l5p s MET 101 Ca 0.21 0.94 -0.30 0.00 -1.71 0.00 0.00 55.69 54.83 3l5p s MET 101 Cb -0.17 -3.31 -0.09 0.00 2.01 0.00 0.00 34.83 33.28 3l5p s MET 101 CO 0.14 0.45 1.18 1.21 -0.01 0.00 0.00 175.02 177.98 3l5p s ASN 102 N -0.57 7.11 0.52 3.03 3.84 -1.26 -4.10 114.94 123.52 3l5p s ASN 102 Ca 0.34 2.27 0.23 0.00 0.21 0.00 0.00 52.86 55.91 3l5p s ASN 102 Cb -0.20 -2.61 1.36 0.00 -0.55 0.00 0.00 41.25 39.24 3l5p s ASN 102 CO 0.21 -0.32 2.02 0.00 -2.79 0.00 0.00 177.10 176.22 3l5p h ALA 103 N 4.77 2.40 0.00 1.71 0.00 -1.95 0.27 119.26 126.46 3l5p h ALA 103 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3l5p h ALA 103 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3l5p h ALA 103 CO 0.72 -0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3l5p h ALA 104 N 1.77 1.00 -0.50 0.00 0.00 -1.91 -2.63 119.26 116.99 3l5p h ALA 104 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3l5p h ALA 104 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3l5p h ALA 104 CO -0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 3l5p n ASN 105 N -2.50 4.79 -3.97 0.00 5.03 0.95 -4.84 115.26 114.73 3l5p n ASN 105 Ca 0.03 -2.76 -0.30 0.00 0.87 0.00 0.00 54.58 52.43 3l5p n ASN 105 Cb 0.32 -0.59 -0.16 0.00 -1.02 0.00 0.00 39.78 38.33 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 -2.41 1.44 0.09 2.41 1.01 -1.11 -4.89 120.40 116.95 3l5p s VAL 106 Ca 0.48 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 3l5p s VAL 106 Cb 0.35 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 3l5p s VAL 106 CO 0.17 0.25 0.44 -0.83 0.00 0.00 0.00 175.10 175.12 3l5p s GLY 107 N 1.50 2.38 -0.28 4.51 0.00 -1.26 -2.39 107.32 111.78 3l5p s GLY 107 Ca 0.01 -0.31 -0.24 0.00 0.00 0.00 0.00 44.72 44.18 3l5p s GLY 107 CO -0.09 -0.06 0.90 0.86 0.00 0.00 0.00 173.10 174.71 3l5p s TRP 108 N -1.40 -0.62 -1.37 1.90 -0.00 0.59 -4.96 118.94 113.08 3l5p s TRP 108 Ca 0.34 1.48 -0.01 0.00 -0.00 0.00 0.00 56.10 57.91 3l5p s TRP 108 Cb -0.14 0.34 0.01 0.00 -0.00 0.00 0.00 33.47 33.67 3l5p s TRP 108 CO 0.18 -0.30 0.60 -1.71 -0.00 0.00 0.00 176.95 175.73 3l5p n ASN 109 N 2.55 -1.06 0.00 5.86 4.05 -1.26 -1.85 115.26 123.55 3l5p n ASN 109 Ca -0.14 -0.90 0.00 0.00 0.45 0.00 0.00 54.58 54.00 3l5p n ASN 109 Cb 0.56 -3.63 0.00 0.00 1.23 0.00 0.00 39.78 37.94 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 -3.01 -2.09 -0.09 1.20 3.02 -1.26 -4.94 115.26 108.09 3l5p n ASN 110 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 3l5p n ASN 110 Cb 0.67 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 -0.14 0.00 -4.72 6.41 2.88 -0.77 -5.18 113.62 112.10 3l5p n SER 111 Ca 0.00 -0.09 -0.32 0.00 -1.33 0.00 0.00 58.87 57.13 3l5p n SER 111 Cb 0.07 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.45 3l5p n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3l5p s THR 112 N -1.84 1.22 -2.38 2.46 -4.23 -1.26 -0.30 115.64 109.32 3l5p s THR 112 Ca 0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 3l5p s THR 112 Cb 0.00 -2.26 0.53 0.00 1.34 0.00 0.00 72.50 72.11 3l5p s THR 112 CO 0.00 0.00 1.75 0.49 -0.54 0.00 0.00 174.62 176.32 3l5p n PHE 113 N -1.21 0.00 0.53 3.99 3.72 -1.00 -4.85 117.46 118.62 3l5p n PHE 113 Ca -0.17 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.27 3l5p n PHE 113 Cb 0.67 -0.02 0.25 0.00 -0.94 0.00 0.00 39.48 39.44 3l5p n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71