#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6p n HIS 10 N 0.00 0.56 -1.63 1.61 -0.00 -1.26 -4.87 115.22 109.63 3b6p n HIS 10 Ca 0.00 0.14 -0.43 0.00 -0.00 0.00 0.00 57.72 57.43 3b6p n HIS 10 Cb 0.00 -1.07 -0.03 0.00 -0.00 0.00 0.00 29.99 28.89 3b6p n HIS 10 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3b6p s MET 11 N -2.52 3.10 0.03 -1.40 1.00 -1.26 -4.34 119.30 113.91 3b6p s MET 11 Ca -0.30 1.96 0.09 0.00 0.00 0.00 0.00 55.69 57.44 3b6p s MET 11 Cb 0.09 -4.37 -0.23 0.00 0.00 0.00 0.00 34.83 30.32 3b6p s MET 11 CO 0.65 -2.14 0.92 1.96 0.00 0.00 0.00 175.02 176.41 3b6p h GLN 12 N 15.10 0.02 -4.41 2.03 1.08 -1.61 -3.42 115.11 123.90 3b6p h GLN 12 Ca -0.40 -0.03 -0.47 0.00 -1.45 0.00 0.00 58.65 56.30 3b6p h GLN 12 Cb 1.23 0.01 -0.33 0.00 -0.05 0.00 0.00 27.48 28.35 3b6p h GLN 12 CO 0.97 0.74 -0.80 0.99 -0.95 0.00 0.00 178.83 179.79 3b6p s THR 13 N -2.64 0.90 -0.23 -0.54 2.01 -1.10 -0.19 115.64 113.85 3b6p s THR 13 Ca -0.03 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 3b6p s THR 13 Cb 0.09 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 3b6p s THR 13 CO 0.82 0.30 0.02 -0.76 -0.69 0.00 0.00 174.62 174.31 3b6p s LEU 14 N 0.65 3.22 -0.45 4.42 1.43 -0.29 -0.89 118.68 126.77 3b6p s LEU 14 Ca -0.12 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 3b6p s LEU 14 Cb -0.14 -1.84 0.08 0.00 0.03 0.00 0.00 46.19 44.31 3b6p s LEU 14 CO 0.02 -0.01 0.33 -0.63 0.23 0.00 0.00 176.35 176.29 3b6p s ILE 15 N 1.47 4.74 -0.12 -0.59 1.01 0.69 -1.07 121.20 127.33 3b6p s ILE 15 Ca 0.05 -1.24 -0.29 0.00 0.00 0.00 0.00 60.65 59.17 3b6p s ILE 15 Cb -0.15 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3b6p s ILE 15 CO 0.01 -0.55 1.36 -0.36 0.00 0.00 0.00 174.94 175.40 3b6p s PHE 16 N 1.53 2.67 0.00 3.97 0.08 -0.01 0.08 117.98 126.32 3b6p s PHE 16 Ca 0.04 0.82 0.06 0.00 0.12 0.00 0.00 56.93 57.97 3b6p s PHE 16 Cb -0.24 -3.61 -0.02 0.00 -0.57 0.00 0.00 43.02 38.59 3b6p s PHE 16 CO 0.04 -2.23 -0.20 -1.17 -0.10 0.00 0.00 175.22 171.56 3b6p s LEU 17 N 3.42 2.08 -0.08 -0.37 0.20 0.15 -0.55 118.68 123.53 3b6p s LEU 17 Ca 0.60 -0.41 -0.09 0.00 0.69 0.00 0.00 54.13 54.92 3b6p s LEU 17 Cb -0.25 -0.98 0.02 0.00 -0.43 0.00 0.00 46.19 44.54 3b6p s LEU 17 CO 0.20 0.21 0.24 -0.62 -0.29 0.00 0.00 176.35 176.09 3b6p s ASP 18 N -0.69 -0.23 -0.03 3.68 2.15 -0.98 -4.29 116.67 116.29 3b6p s ASP 18 Ca 0.07 0.40 0.08 0.00 0.43 0.00 0.00 52.55 53.53 3b6p s ASP 18 Cb -0.08 0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 42.99 3b6p s ASP 18 CO 0.00 -0.14 -0.26 -0.76 -0.17 0.00 0.00 175.17 173.85 3b6p s LEU 19 N -0.12 2.07 0.00 -1.34 1.43 -1.26 -1.65 118.68 117.81 3b6p s LEU 19 Ca -0.02 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3b6p s LEU 19 Cb -0.03 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 3b6p s LEU 19 CO 0.01 0.31 0.18 -1.61 0.23 0.00 0.00 176.35 175.46 3b6p s GLU 20 N -0.53 3.39 0.31 1.70 0.41 -0.02 -4.92 118.70 119.04 3b6p s GLU 20 Ca 0.07 -0.36 0.00 0.00 -0.41 0.00 0.00 54.97 54.27 3b6p s GLU 20 Cb -0.11 -3.06 -0.02 0.00 -1.78 0.00 0.00 34.13 29.17 3b6p s GLU 20 CO -0.00 0.66 0.36 0.00 -0.49 0.00 0.00 175.26 175.79 3b6p s ALA 21 N -1.34 1.11 0.02 5.21 0.00 -1.26 -0.12 121.76 125.37 3b6p s ALA 21 Ca 0.28 -1.68 0.29 0.00 0.00 0.00 0.00 51.96 50.85 3b6p s ALA 21 Cb -0.13 1.29 1.04 0.00 0.00 0.00 0.00 23.12 25.33 3b6p s ALA 21 CO 0.20 -0.72 1.86 1.79 0.00 0.00 0.00 175.76 178.89 3b6p h THR 22 N 2.21 0.19 0.00 0.00 1.35 -1.68 -3.45 112.91 111.52 3b6p h THR 22 Ca -0.28 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 3b6p h THR 22 Cb 1.24 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 3b6p h THR 22 CO 0.40 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3b6p n GLY 23 N 0.27 -0.67 3.92 5.82 0.00 -1.26 -0.69 105.19 112.59 3b6p n GLY 23 Ca 0.01 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 3b6p n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b6p s LEU 24 N 0.00 3.53 0.36 0.99 1.43 -1.26 -4.74 118.68 118.99 3b6p s LEU 24 Ca 0.00 0.71 0.17 0.00 -1.03 0.00 0.00 54.13 53.98 3b6p s LEU 24 Cb 0.00 -3.60 1.13 0.00 0.03 0.00 0.00 46.19 43.75 3b6p s LEU 24 CO 0.00 -0.74 1.67 -0.65 0.23 0.00 0.00 176.35 176.87 3b6p h PRO 25 N 0.16 0.31 0.00 1.29 0.11 -1.99 -1.11 132.00 130.77 3b6p h PRO 25 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3b6p h PRO 25 Cb 1.23 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3b6p h PRO 25 CO 0.61 0.20 -0.26 0.66 -0.21 0.00 0.00 178.00 179.00 3b6p h SER 26 N 0.32 0.00 0.02 -2.05 4.64 -2.00 -2.65 113.55 111.83 3b6p h SER 26 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 3b6p h SER 26 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 3b6p h SER 26 CO -0.53 0.26 -0.00 -1.54 -0.87 0.00 0.00 176.83 174.14 3b6p n SER 27 N -3.74 0.37 -3.26 4.97 3.41 -0.42 -4.95 113.62 110.00 3b6p n SER 27 Ca -0.01 -1.09 -0.07 0.00 -0.26 0.00 0.00 58.87 57.44 3b6p n SER 27 Cb 0.36 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3b6p n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3b6p n ARG 28 N -0.73 -1.39 -1.89 4.33 1.74 -1.00 -4.96 116.66 112.77 3b6p n ARG 28 Ca 0.22 1.28 -0.32 0.00 -0.77 0.00 0.00 57.85 58.27 3b6p n ARG 28 Cb 0.18 -4.88 0.02 0.00 -1.02 0.00 0.00 32.46 26.76 3b6p n ARG 28 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3b6p s PRO 29 N -3.56 3.21 0.01 5.56 0.04 -1.26 -5.02 135.00 133.98 3b6p s PRO 29 Ca 0.02 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.23 3b6p s PRO 29 Cb -0.00 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3b6p s PRO 29 CO 0.79 -0.89 -0.23 -1.21 0.04 0.00 0.00 177.00 175.50 3b6p s GLU 30 N -4.43 2.06 0.17 4.56 2.02 -1.26 -4.91 118.70 116.92 3b6p s GLU 30 Ca 0.61 -0.96 -0.31 0.00 0.02 0.00 0.00 54.97 54.33 3b6p s GLU 30 Cb -0.15 -2.09 -0.10 0.00 0.10 0.00 0.00 34.13 31.90 3b6p s GLU 30 CO 0.43 0.55 1.50 0.08 0.02 0.00 0.00 175.26 177.84 3b6p s VAL 31 N -0.74 2.78 -0.04 2.63 1.01 -1.26 -1.71 120.40 123.08 3b6p s VAL 31 Ca 0.11 0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.77 3b6p s VAL 31 Cb -0.10 -3.37 -0.14 0.00 0.00 0.00 0.00 36.38 32.77 3b6p s VAL 31 CO 0.01 0.06 0.16 0.35 0.00 0.00 0.00 175.10 175.68 3b6p n THR 32 N 3.55 0.18 -3.69 3.92 -2.24 0.82 -4.39 114.28 112.44 3b6p n THR 32 Ca 0.12 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 3b6p n THR 32 Cb 0.40 -0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.51 3b6p n THR 32 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3b6p s GLU 33 N -2.54 0.67 0.05 -0.78 2.12 -1.00 0.69 118.70 117.92 3b6p s GLU 33 Ca -0.04 0.46 0.03 0.00 0.36 0.00 0.00 54.97 55.79 3b6p s GLU 33 Cb 0.05 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.74 3b6p s GLU 33 CO 0.39 -0.13 -0.10 -0.48 -0.54 0.00 0.00 175.26 174.40 3b6p s LEU 34 N -0.26 2.24 -0.03 2.70 0.05 -0.17 -0.84 118.68 122.38 3b6p s LEU 34 Ca -0.04 -0.54 0.00 0.00 0.05 0.00 0.00 54.13 53.60 3b6p s LEU 34 Cb -0.03 -0.31 0.03 0.00 -2.05 0.00 0.00 46.19 43.82 3b6p s LEU 34 CO 0.03 -0.13 0.00 0.00 -0.55 0.00 0.00 176.35 175.70 3b6p s LEU 36 N 0.97 2.18 -0.35 0.00 1.02 0.16 -2.31 118.68 120.34 3b6p s LEU 36 Ca -0.10 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.54 3b6p s LEU 36 Cb -0.13 -1.44 0.11 0.00 0.02 0.00 0.00 46.19 44.75 3b6p s LEU 36 CO -0.02 0.16 0.11 -0.22 0.02 0.00 0.00 176.35 176.41 3b6p s LEU 37 N 0.35 3.37 -0.19 1.79 2.96 0.29 -0.83 118.68 126.42 3b6p s LEU 37 Ca -0.18 -2.07 -0.28 0.00 -0.22 0.00 0.00 54.13 51.38 3b6p s LEU 37 Cb -0.18 -1.22 -0.00 0.00 0.50 0.00 0.00 46.19 45.29 3b6p s LEU 37 CO 0.08 -0.37 0.98 0.00 -1.32 0.00 0.00 176.35 175.72 3b6p s ALA 38 N 1.04 3.58 -0.09 5.97 0.00 0.36 -0.83 121.76 131.78 3b6p s ALA 38 Ca 0.12 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.26 3b6p s ALA 38 Cb -0.20 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3b6p s ALA 38 CO -0.13 -0.85 -0.09 0.08 0.00 0.00 0.00 175.76 174.77 3b6p s VAL 39 N 2.67 1.02 0.47 0.00 1.01 -0.24 -2.05 120.40 123.28 3b6p s VAL 39 Ca 0.43 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 3b6p s VAL 39 Cb -0.16 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 3b6p s VAL 39 CO 0.10 0.35 1.23 -2.28 0.00 0.00 0.00 175.10 174.50 3b6p s HIS 40 N 1.31 2.72 0.28 5.22 2.46 -1.26 -1.14 115.29 124.88 3b6p s HIS 40 Ca -0.03 1.48 -0.04 0.00 0.47 0.00 0.00 55.06 56.94 3b6p s HIS 40 Cb -0.14 -3.52 0.55 0.00 -0.13 0.00 0.00 32.58 29.35 3b6p s HIS 40 CO -0.04 -1.92 1.59 -0.09 -2.47 0.00 0.00 174.74 171.82 3b6p h ARG 41 N 1.97 0.04 0.00 2.88 2.43 -0.83 -1.05 114.38 119.82 3b6p h ARG 41 Ca -0.50 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 3b6p h ARG 41 Cb 1.26 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3b6p h ARG 41 CO 0.60 0.03 -0.22 0.00 -1.51 0.00 0.00 179.97 178.86 3b6p h ARG 42 N 0.04 0.00 -0.18 0.20 3.08 -1.92 -1.17 114.38 114.43 3b6p h ARG 42 Ca 0.49 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.39 3b6p h ARG 42 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3b6p h ARG 42 CO -0.84 0.22 -0.51 0.00 -1.07 0.00 0.00 179.97 177.76 3b6p h ALA 43 N 1.78 0.77 -0.07 0.04 0.00 -1.56 -1.80 119.26 118.41 3b6p h ALA 43 Ca -0.00 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 3b6p h ALA 43 Cb 0.43 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3b6p h ALA 43 CO 0.03 0.68 -0.68 -0.07 0.00 0.00 0.00 179.25 179.21 3b6p h LEU 44 N 0.40 0.72 -0.55 0.00 3.38 -1.38 -3.16 115.31 114.72 3b6p h LEU 44 Ca 0.01 -0.68 0.08 0.00 0.09 0.00 0.00 57.88 57.39 3b6p h LEU 44 Cb 1.04 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 3b6p h LEU 44 CO 0.09 1.30 0.18 -0.33 0.09 0.00 0.00 178.44 179.77 3b6p h GLU 45 N 0.20 0.34 -0.17 1.13 5.08 -1.20 -2.61 114.58 117.36 3b6p h GLU 45 Ca -0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3b6p h GLU 45 Cb 1.34 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3b6p h GLU 45 CO 0.14 0.23 0.00 0.09 -1.00 0.00 0.00 179.01 178.46 3b6p n ASN 46 N -5.03 1.12 -4.75 1.42 3.02 -0.68 -4.79 115.26 105.57 3b6p n ASN 46 Ca 0.07 -1.81 -0.41 0.00 -0.03 0.00 0.00 54.58 52.40 3b6p n ASN 46 Cb 0.25 -0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 3b6p n ASN 46 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3b6p s THR 47 N -1.78 3.67 0.27 3.41 2.01 -0.99 -5.00 115.64 117.24 3b6p s THR 47 Ca 0.22 1.57 -0.30 0.00 0.31 0.00 0.00 61.69 63.50 3b6p s THR 47 Cb 0.12 -4.00 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 3b6p s THR 47 CO 0.17 0.33 1.49 -0.44 -0.69 0.00 0.00 174.62 175.48 3b6p s SER 48 N -0.57 6.56 0.12 3.53 0.01 -1.26 -4.89 113.70 117.19 3b6p s SER 48 Ca 0.46 2.77 -0.31 0.00 1.31 0.00 0.00 55.95 60.19 3b6p s SER 48 Cb -0.31 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.22 3b6p s SER 48 CO 0.38 -0.77 1.31 -0.63 0.41 0.00 0.00 173.24 173.93 3b6p s ILE 49 N -0.08 3.53 0.15 1.44 1.01 -1.26 -4.87 121.20 121.12 3b6p s ILE 49 Ca 0.60 1.13 -0.31 0.00 0.00 0.00 0.00 60.65 62.07 3b6p s ILE 49 Cb -0.44 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 3b6p s ILE 49 CO 0.46 0.11 1.78 -0.44 0.00 0.00 0.00 174.94 176.84 3b6p s SER 50 N 0.91 6.42 0.09 3.58 0.01 -1.14 -5.02 113.70 118.55 3b6p s SER 50 Ca 0.61 2.79 0.08 0.00 1.31 0.00 0.00 55.95 60.73 3b6p s SER 50 Cb -0.34 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.27 3b6p s SER 50 CO 0.31 -0.98 -0.20 -1.10 0.41 0.00 0.00 173.24 171.68 3b6p s GLN 51 N 2.11 1.09 0.00 12.44 -0.21 -1.26 -5.02 119.66 128.80 3b6p s GLN 51 Ca 0.78 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 55.05 3b6p s GLN 51 Cb -0.47 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.24 3b6p s GLN 51 CO 0.34 0.30 0.00 0.41 -2.12 0.00 0.00 175.29 174.23 3b6p n GLY 52 N 1.18 1.52 2.54 3.09 0.00 -1.26 -4.18 105.19 108.09 3b6p n GLY 52 Ca -0.20 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 3b6p n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b6p s HIS 53 N -2.32 0.51 0.44 1.61 3.76 -1.26 -2.89 115.29 115.14 3b6p s HIS 53 Ca 0.00 -1.12 -0.14 0.00 -0.15 0.00 0.00 55.06 53.65 3b6p s HIS 53 Cb 0.00 -0.96 -0.08 0.00 1.11 0.00 0.00 32.58 32.65 3b6p s HIS 53 CO 0.00 -0.83 0.87 -1.25 -0.85 0.00 0.00 174.74 172.68 3b6p s PRO 54 N 1.81 3.91 0.62 8.40 0.04 -1.26 -5.16 135.00 143.36 3b6p s PRO 54 Ca 0.11 0.74 -0.16 0.00 0.04 0.00 0.00 61.00 61.73 3b6p s PRO 54 Cb -0.18 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 3b6p s PRO 54 CO -0.27 -0.11 1.09 -1.25 0.04 0.00 0.00 177.00 176.50 3b6p s PRO 55 N -3.79 3.09 0.58 0.56 0.04 -1.14 -5.03 135.00 129.30 3b6p s PRO 55 Ca 0.55 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 3b6p s PRO 55 Cb -0.10 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 3b6p s PRO 55 CO 0.28 -1.01 1.14 -2.14 0.04 0.00 0.00 177.00 175.31 3b6p s PRO 56 N -3.97 3.16 0.01 0.56 0.02 -1.26 -4.69 135.00 128.82 3b6p s PRO 56 Ca 0.66 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 3b6p s PRO 56 Cb -0.19 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 3b6p s PRO 56 CO 0.37 -1.00 1.81 0.08 -0.33 0.00 0.00 177.00 177.93 3b6p s VAL 57 N -1.88 3.23 0.54 3.83 1.01 -1.26 -4.93 120.40 120.94 3b6p s VAL 57 Ca 0.72 0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.82 3b6p s VAL 57 Cb -0.24 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3b6p s VAL 57 CO 0.31 -0.03 1.34 -2.84 0.00 0.00 0.00 175.10 173.89 3b6p s PRO 58 N 4.08 3.16 0.06 2.72 0.02 -1.26 -4.98 135.00 138.80 3b6p s PRO 58 Ca 0.81 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.73 3b6p s PRO 58 Cb -0.39 -2.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.83 3b6p s PRO 58 CO 0.36 -1.16 1.06 0.50 -0.33 0.00 0.00 177.00 177.43 3b6p s ARG 59 N -2.91 4.55 0.65 5.54 3.52 -1.26 -4.91 118.95 124.12 3b6p s ARG 59 Ca 0.71 1.57 -0.18 0.00 -0.13 0.00 0.00 55.73 57.71 3b6p s ARG 59 Cb -0.40 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 3b6p s ARG 59 CO 0.47 -0.05 1.29 -1.25 -0.81 0.00 0.00 175.30 174.94 3b6p s PRO 60 N 0.67 2.57 0.61 5.12 0.04 -1.26 -4.97 135.00 137.78 3b6p s PRO 60 Ca 0.53 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.43 3b6p s PRO 60 Cb -0.25 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3b6p s PRO 60 CO 0.30 -1.58 1.30 -2.14 0.04 0.00 0.00 177.00 174.91 3b6p s PRO 61 N -3.38 2.80 0.01 0.56 0.02 -1.26 -4.96 135.00 128.79 3b6p s PRO 61 Ca 0.82 2.08 -0.25 0.00 0.02 0.00 0.00 61.00 63.67 3b6p s PRO 61 Cb -0.37 -1.99 -0.18 0.00 0.02 0.00 0.00 34.50 31.98 3b6p s PRO 61 CO 0.39 -1.41 1.34 -0.09 -0.33 0.00 0.00 177.00 176.91 3b6p h ARG 62 N 0.89 -0.13 -6.24 5.54 9.65 -1.96 -3.39 114.38 118.73 3b6p h ARG 62 Ca -0.51 0.01 -0.58 0.00 -1.10 0.00 0.00 59.98 57.80 3b6p h ARG 62 Cb 1.32 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 29.83 3b6p h ARG 62 CO 0.55 0.21 0.81 0.08 2.80 0.00 0.00 179.97 184.42 3b6p s VAL 63 N -4.74 4.15 -0.06 0.20 1.01 -1.26 -4.99 120.40 114.72 3b6p s VAL 63 Ca -0.15 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.37 3b6p s VAL 63 Cb 0.03 -4.67 0.02 0.00 0.00 0.00 0.00 36.38 31.76 3b6p s VAL 63 CO 0.63 -1.29 0.15 -0.69 0.00 0.00 0.00 175.10 173.89 3b6p s VAL 64 N 4.59 -0.00 -0.23 2.92 1.01 -1.26 -4.69 120.40 122.74 3b6p s VAL 64 Ca 0.37 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 3b6p s VAL 64 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 3b6p s VAL 64 CO 0.22 0.00 0.10 -1.81 0.00 0.00 0.00 175.10 173.61 3b6p s ASP 65 N 0.14 5.58 -0.06 3.32 1.11 -0.87 -5.00 116.67 120.88 3b6p s ASP 65 Ca -0.01 -0.03 0.05 0.00 0.18 0.00 0.00 52.55 52.74 3b6p s ASP 65 Cb -0.02 -1.99 -0.00 0.00 1.07 0.00 0.00 42.92 41.98 3b6p s ASP 65 CO -0.00 0.05 -0.21 -0.75 1.18 0.00 0.00 175.17 175.44 3b6p s LYS 66 N 1.10 2.34 -0.09 8.23 2.20 -1.26 -0.49 119.74 131.77 3b6p s LYS 66 Ca 0.05 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 3b6p s LYS 66 Cb -0.14 -1.92 0.03 0.00 -1.51 0.00 0.00 37.83 34.29 3b6p s LYS 66 CO 0.04 0.25 -0.03 -1.17 -0.36 0.00 0.00 175.35 174.07 3b6p s LEU 67 N 0.12 0.83 -0.07 5.43 2.96 -0.01 -5.00 118.68 122.95 3b6p s LEU 67 Ca -0.09 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3b6p s LEU 67 Cb -0.14 -0.60 0.02 0.00 0.50 0.00 0.00 46.19 45.96 3b6p s LEU 67 CO 0.05 -0.16 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.28 3b6p s SER 68 N 1.86 1.54 -0.02 3.68 0.15 -1.26 0.36 113.70 120.01 3b6p s SER 68 Ca 0.05 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 3b6p s SER 68 Cb -0.12 -0.68 0.02 0.00 -1.71 0.00 0.00 66.02 63.52 3b6p s SER 68 CO -0.06 -0.03 0.04 -0.76 1.20 0.00 0.00 173.24 173.63 3b6p s LEU 69 N 0.97 1.48 -0.12 3.45 1.43 -0.05 -5.01 118.68 120.83 3b6p s LEU 69 Ca -0.10 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 3b6p s LEU 69 Cb -0.15 0.06 -0.05 0.00 0.03 0.00 0.00 46.19 46.09 3b6p s LEU 69 CO 0.00 -0.07 0.41 0.00 0.23 0.00 0.00 176.35 176.92 3b6p s ILE 71 N 0.37 1.63 -0.12 0.00 1.01 0.22 -4.57 121.20 119.74 3b6p s ILE 71 Ca 0.23 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 3b6p s ILE 71 Cb -0.15 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 3b6p s ILE 71 CO 0.08 0.46 1.10 0.00 0.00 0.00 0.00 174.94 176.59 3b6p s ALA 72 N 0.63 3.51 0.61 9.38 0.00 -0.78 -4.16 121.76 130.94 3b6p s ALA 72 Ca -0.14 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 3b6p s ALA 72 Cb -0.16 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 3b6p s ALA 72 CO 0.04 -0.79 0.95 -1.25 0.00 0.00 0.00 175.76 174.72 3b6p s PRO 73 N 2.43 3.11 0.14 0.00 0.04 -1.26 -4.07 135.00 135.39 3b6p s PRO 73 Ca 0.51 0.27 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 3b6p s PRO 73 Cb -0.20 -2.19 -0.08 0.00 0.04 0.00 0.00 34.50 32.07 3b6p s PRO 73 CO 0.17 -0.68 1.32 0.78 0.04 0.00 0.00 177.00 178.63 3b6p h GLY 74 N -0.26 0.31 -3.85 0.56 0.00 -1.95 -3.46 103.07 94.43 3b6p h GLY 74 Ca -0.45 -0.58 -0.61 0.00 0.00 0.00 0.00 47.33 45.69 3b6p h GLY 74 CO 0.62 0.51 -0.64 -1.59 0.00 0.00 0.00 176.54 175.44 3b6p s LYS 75 N -3.15 2.54 0.54 4.80 -2.85 -1.26 -5.11 119.74 115.24 3b6p s LYS 75 Ca -0.04 -0.99 -0.20 0.00 -1.00 0.00 0.00 55.97 53.74 3b6p s LYS 75 Cb 0.09 -2.46 -0.06 0.00 -2.06 0.00 0.00 37.83 33.35 3b6p s LYS 75 CO 0.85 0.48 1.15 0.00 0.10 0.00 0.00 175.35 177.93 3b6p s ALA 76 N -1.62 2.72 0.53 0.59 0.00 -1.26 -4.90 121.76 117.81 3b6p s ALA 76 Ca 0.28 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.91 3b6p s ALA 76 Cb -0.10 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 3b6p s ALA 76 CO 0.19 -0.82 1.17 0.00 0.00 0.00 0.00 175.76 176.30 3b6p s SER 78 N -1.58 5.45 0.29 0.00 1.04 0.14 -4.83 113.70 114.20 3b6p s SER 78 Ca 0.71 2.15 0.03 0.00 0.48 0.00 0.00 55.95 59.32 3b6p s SER 78 Cb -0.27 -2.57 0.65 0.00 0.10 0.00 0.00 66.02 63.92 3b6p s SER 78 CO 0.31 -1.41 1.79 -0.65 0.98 0.00 0.00 173.24 174.26 3b6p h PRO 79 N 0.79 0.77 -0.49 4.02 0.11 -1.95 -0.28 132.00 134.96 3b6p h PRO 79 Ca -0.49 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 3b6p h PRO 79 Cb 1.26 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3b6p h PRO 79 CO 0.56 0.51 -0.12 0.78 -0.21 0.00 0.00 178.00 179.52 3b6p h GLY 80 N 0.79 1.03 1.09 -0.55 0.00 -1.95 -1.95 103.07 101.53 3b6p h GLY 80 Ca 0.53 -0.85 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 3b6p h GLY 80 CO -0.35 0.77 -0.21 0.00 0.00 0.00 0.00 176.54 176.76 3b6p h ALA 81 N 0.89 0.65 -0.78 3.60 0.00 -1.68 -2.78 119.26 119.17 3b6p h ALA 81 Ca 0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3b6p h ALA 81 Cb 0.67 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3b6p h ALA 81 CO 0.05 0.63 0.32 0.77 0.00 0.00 0.00 179.25 181.03 3b6p h SER 82 N 0.81 1.06 -0.10 0.00 0.02 -1.04 -1.53 113.55 112.77 3b6p h SER 82 Ca 0.11 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3b6p h SER 82 Cb 0.78 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 3b6p h SER 82 CO 0.06 0.93 0.06 -0.08 -1.14 0.00 0.00 176.83 176.66 3b6p h GLU 83 N 1.13 0.14 0.11 3.45 4.81 -1.26 -1.04 114.58 121.91 3b6p h GLU 83 Ca 0.26 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 59.20 3b6p h GLU 83 Cb 0.19 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.56 3b6p h GLU 83 CO -0.02 0.16 -1.19 -0.84 -0.73 0.00 0.00 179.01 176.38 3b6p h ILE 84 N 0.08 1.40 0.00 2.32 3.07 -1.45 -3.34 117.51 119.60 3b6p h ILE 84 Ca 0.04 -2.73 -0.17 0.00 1.55 0.00 0.00 64.86 63.55 3b6p h ILE 84 Cb 0.06 2.76 -0.03 0.00 -0.27 0.00 0.00 36.82 39.34 3b6p h ILE 84 CO -0.01 0.81 -1.09 0.71 -1.05 0.00 0.00 178.15 177.52 3b6p h THR 85 N 0.17 0.87 0.00 0.16 1.35 -1.34 -3.42 112.91 110.70 3b6p h THR 85 Ca -0.15 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 3b6p h THR 85 Cb 1.88 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.65 3b6p h THR 85 CO 0.21 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 3b6p n GLY 86 N 1.35 0.61 3.59 5.82 0.00 -0.40 -4.73 105.19 111.44 3b6p n GLY 86 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3b6p n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b6p s LEU 87 N 0.00 3.13 0.03 0.99 1.43 -1.24 -5.05 118.68 117.98 3b6p s LEU 87 Ca 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3b6p s LEU 87 Cb 0.00 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3b6p s LEU 87 CO 0.00 0.26 -0.04 -0.94 0.23 0.00 0.00 176.35 175.86 3b6p s SER 88 N -1.58 0.36 0.25 2.29 1.04 -1.26 -4.22 113.70 110.59 3b6p s SER 88 Ca 0.18 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 3b6p s SER 88 Cb -0.11 0.11 0.38 0.00 0.10 0.00 0.00 66.02 66.50 3b6p s SER 88 CO 0.09 -0.33 1.86 0.50 0.98 0.00 0.00 173.24 176.33 3b6p h LYS 89 N 4.39 1.01 -0.27 4.02 3.64 -1.93 -0.46 116.57 126.98 3b6p h LYS 89 Ca -0.33 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.00 3b6p h LYS 89 Cb 1.20 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3b6p h LYS 89 CO 0.45 0.67 0.16 0.00 -2.27 0.00 0.00 179.45 178.46 3b6p h ALA 90 N 1.44 0.34 -0.12 5.00 0.00 -1.98 -0.75 119.26 123.18 3b6p h ALA 90 Ca 0.41 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.15 3b6p h ALA 90 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3b6p h ALA 90 CO -0.19 -0.22 -0.61 1.49 0.00 0.00 0.00 179.25 179.73 3b6p h GLU 91 N 0.33 0.43 -0.63 0.00 4.57 -1.89 -1.79 114.58 115.60 3b6p h GLU 91 Ca 0.10 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 57.92 3b6p h GLU 91 Cb -0.01 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3b6p h GLU 91 CO -0.04 0.90 0.10 -0.07 -1.18 0.00 0.00 179.01 178.72 3b6p h LEU 92 N 0.32 1.00 -0.11 1.64 3.38 -0.92 -2.66 115.31 117.94 3b6p h LEU 92 Ca -0.01 -0.26 -0.24 0.00 0.09 0.00 0.00 57.88 57.46 3b6p h LEU 92 Cb 1.15 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.64 3b6p h LEU 92 CO 0.11 1.00 -0.95 -0.33 0.09 0.00 0.00 178.44 178.36 3b6p h GLU 93 N 0.95 0.61 0.00 1.13 5.08 -1.07 -1.15 114.58 120.13 3b6p h GLU 93 Ca 0.19 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3b6p h GLU 93 Cb 0.43 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3b6p h GLU 93 CO 0.01 1.22 0.00 -0.24 -1.00 0.00 0.00 179.01 179.01 3b6p h VAL 94 N 0.36 0.00 -0.60 3.13 3.04 -1.35 -1.67 116.25 119.17 3b6p h VAL 94 Ca -0.09 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3b6p h VAL 94 Cb 1.58 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.20 3b6p h VAL 94 CO 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.74 3b6p n GLN 95 N -2.75 4.25 -2.23 4.17 6.02 -1.01 -4.97 117.38 120.86 3b6p n GLN 95 Ca 0.02 -3.02 -0.12 0.00 -0.01 0.00 0.00 57.00 53.87 3b6p n GLN 95 Cb 0.30 -2.06 -0.01 0.00 1.02 0.00 0.00 30.24 29.49 3b6p n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3b6p n GLY 96 N 0.81 -0.11 3.75 1.08 0.00 -0.63 -5.00 105.19 105.09 3b6p n GLY 96 Ca 0.27 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3b6p n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b6p s ARG 97 N -4.60 4.67 0.37 1.61 1.81 -0.44 -5.03 118.95 117.34 3b6p s ARG 97 Ca 0.00 1.72 -0.01 0.00 -1.72 0.00 0.00 55.73 55.72 3b6p s ARG 97 Cb -0.00 -3.23 -0.03 0.00 -0.45 0.00 0.00 34.95 31.23 3b6p s ARG 97 CO 0.00 0.24 0.59 -0.65 -0.68 0.00 0.00 175.30 174.80 3b6p s GLN 98 N -1.09 3.50 1.04 3.54 -0.21 -1.26 -4.34 119.66 120.84 3b6p s GLN 98 Ca 0.45 -0.23 -0.12 0.00 0.02 0.00 0.00 55.36 55.48 3b6p s GLN 98 Cb -0.30 -2.61 0.21 0.00 1.00 0.00 0.00 33.01 31.32 3b6p s GLN 98 CO 0.38 0.08 1.07 1.03 -2.12 0.00 0.00 175.29 175.73 3b6p s ARG 99 N -4.39 0.06 -0.89 2.91 1.81 -1.26 -1.86 118.95 115.33 3b6p s ARG 99 Ca 0.41 0.65 -0.25 0.00 -1.72 0.00 0.00 55.73 54.83 3b6p s ARG 99 Cb -0.10 -1.68 -0.02 0.00 -0.45 0.00 0.00 34.95 32.70 3b6p s ARG 99 CO 0.38 -3.02 1.80 0.12 -0.68 0.00 0.00 175.30 173.90 3b6p s PHE 100 N -2.80 1.97 0.23 -0.53 5.36 -1.26 -4.85 117.98 116.10 3b6p s PHE 100 Ca 0.66 0.30 0.01 0.00 -0.96 0.00 0.00 56.93 56.93 3b6p s PHE 100 Cb -0.21 -4.22 -0.00 0.00 -0.34 0.00 0.00 43.02 38.26 3b6p s PHE 100 CO 0.60 -1.86 0.02 -0.40 -1.46 0.00 0.00 175.22 172.11 3b6p n ASP 101 N 12.54 2.18 -0.12 6.13 5.68 -1.26 -4.95 116.55 136.75 3b6p n ASP 101 Ca 0.35 -2.05 -0.01 0.00 -0.50 0.00 0.00 54.79 52.57 3b6p n ASP 101 Cb 0.48 0.27 0.24 0.00 -1.14 0.00 0.00 41.12 40.97 3b6p n ASP 101 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3b6p h ASP 102 N 0.64 0.73 -0.40 -1.12 3.32 -2.00 -2.45 116.42 115.15 3b6p h ASP 102 Ca -0.19 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 3b6p h ASP 102 Cb 0.60 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3b6p h ASP 102 CO 0.31 0.67 0.15 -1.13 -1.72 0.00 0.00 179.24 177.51 3b6p h ASN 103 N 0.79 0.61 -0.27 6.45 -1.24 -1.97 -1.60 115.58 118.35 3b6p h ASN 103 Ca 0.19 -0.08 -0.11 0.00 0.71 0.00 0.00 56.30 57.01 3b6p h ASN 103 Cb 0.18 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3b6p h ASN 103 CO -0.01 0.59 -0.19 0.25 -1.29 0.00 0.00 177.43 176.77 3b6p h LEU 104 N 0.66 0.74 -0.91 0.34 5.85 -1.79 -1.15 115.31 119.05 3b6p h LEU 104 Ca 0.16 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3b6p h LEU 104 Cb 0.19 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3b6p h LEU 104 CO -0.01 0.92 -0.12 0.00 -0.34 0.00 0.00 178.44 178.89 3b6p h ALA 105 N 1.14 1.08 -0.42 1.25 0.00 -1.13 -0.84 119.26 120.34 3b6p h ALA 105 Ca 0.10 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3b6p h ALA 105 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3b6p h ALA 105 CO 0.05 0.56 -0.10 0.82 0.00 0.00 0.00 179.25 180.58 3b6p h ILE 106 N 0.61 1.27 -0.12 0.00 2.04 -1.14 -1.73 117.51 118.44 3b6p h ILE 106 Ca 0.11 -1.21 0.02 0.00 1.00 0.00 0.00 64.86 64.78 3b6p h ILE 106 Cb 0.56 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3b6p h ILE 106 CO 0.03 0.41 0.01 0.25 0.00 0.00 0.00 178.15 178.85 3b6p h LEU 107 N 0.64 -0.03 -0.68 1.44 6.46 -0.91 -1.74 115.31 120.49 3b6p h LEU 107 Ca 0.11 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 3b6p h LEU 107 Cb 0.64 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 3b6p h LEU 107 CO 0.04 0.01 0.26 -0.07 -0.62 0.00 0.00 178.44 178.06 3b6p h LEU 108 N 0.05 0.94 -0.20 2.25 3.38 -1.14 -2.00 115.31 118.59 3b6p h LEU 108 Ca 0.05 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3b6p h LEU 108 Cb 0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3b6p h LEU 108 CO -0.09 0.86 0.08 -0.09 0.09 0.00 0.00 178.44 179.30 3b6p h ARG 109 N 0.97 0.18 -0.33 1.13 2.43 -1.11 0.02 114.38 117.66 3b6p h ARG 109 Ca 0.23 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3b6p h ARG 109 Cb 0.22 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3b6p h ARG 109 CO -0.02 0.12 -0.03 0.00 -1.51 0.00 0.00 179.97 178.53 3b6p h ALA 110 N 1.12 1.34 -0.31 2.80 0.00 -1.20 0.14 119.26 123.15 3b6p h ALA 110 Ca 0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3b6p h ALA 110 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3b6p h ALA 110 CO -0.08 0.45 -0.06 0.35 0.00 0.00 0.00 179.25 179.92 3b6p h PHE 111 N 0.49 0.66 -0.06 0.00 3.57 -1.01 -2.99 116.94 117.60 3b6p h PHE 111 Ca 0.10 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 3b6p h PHE 111 Cb 0.36 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3b6p h PHE 111 CO 0.01 0.76 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.35 3b6p h LEU 112 N 0.37 0.14 -1.56 0.59 3.38 -0.65 -3.02 115.31 114.56 3b6p h LEU 112 Ca 0.08 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3b6p h LEU 112 Cb 0.54 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3b6p h LEU 112 CO 0.03 0.56 -0.23 -0.61 0.09 0.00 0.00 178.44 178.28 3b6p h GLN 113 N 0.11 0.00 0.00 1.13 5.75 -0.65 -2.52 115.11 118.94 3b6p h GLN 113 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3b6p h GLN 113 Cb 0.81 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.36 3b6p h GLN 113 CO 0.06 0.23 0.00 0.54 -2.65 0.00 0.00 178.83 177.01 3b6p n ARG 114 N -3.86 0.03 -3.71 1.69 1.74 -1.14 -4.81 116.66 106.60 3b6p n ARG 114 Ca -0.02 0.06 -0.37 0.00 -0.77 0.00 0.00 57.85 56.75 3b6p n ARG 114 Cb 0.32 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 30.16 3b6p n ARG 114 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3b6p s GLN 115 N -3.01 3.83 0.23 5.56 -1.52 -0.95 -5.06 119.66 118.74 3b6p s GLN 115 Ca 0.13 0.00 -0.31 0.00 -1.95 0.00 0.00 55.36 53.23 3b6p s GLN 115 Cb 0.17 -3.29 -0.11 0.00 -0.22 0.00 0.00 33.01 29.57 3b6p s GLN 115 CO 0.50 0.56 1.57 -1.25 -0.25 0.00 0.00 175.29 176.43 3b6p s PRO 116 N -0.48 4.18 0.37 2.91 0.04 -1.26 -5.00 135.00 135.77 3b6p s PRO 116 Ca 0.16 2.46 -0.05 0.00 0.04 0.00 0.00 61.00 63.60 3b6p s PRO 116 Cb -0.13 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 3b6p s PRO 116 CO 0.05 -0.60 0.66 -0.65 0.04 0.00 0.00 177.00 176.50 3b6p s GLN 117 N 0.25 3.62 0.61 4.56 -1.52 -1.26 -3.85 119.66 122.07 3b6p s GLN 117 Ca 0.66 0.11 -0.16 0.00 -1.95 0.00 0.00 55.36 54.02 3b6p s GLN 117 Cb -0.46 -2.52 -0.03 0.00 -0.22 0.00 0.00 33.01 29.78 3b6p s GLN 117 CO 0.40 0.04 1.07 -1.25 -0.25 0.00 0.00 175.29 175.29 3b6p s PRO 118 N -4.05 3.21 0.01 2.91 0.04 -1.26 -4.65 135.00 131.21 3b6p s PRO 118 Ca 0.46 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.83 3b6p s PRO 118 Cb -0.10 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3b6p s PRO 118 CO 0.35 -0.91 -0.25 0.00 0.04 0.00 0.00 177.00 176.23 3b6p s LEU 121 N 1.54 4.44 -0.20 0.00 1.43 0.84 -0.22 118.68 126.50 3b6p s LEU 121 Ca 0.01 1.94 -0.01 0.00 -1.03 0.00 0.00 54.13 55.04 3b6p s LEU 121 Cb -0.13 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.51 3b6p s LEU 121 CO -0.05 -0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 175.43 3b6p s VAL 122 N 0.40 2.55 -0.02 -1.59 1.01 0.11 -0.41 120.40 122.45 3b6p s VAL 122 Ca 0.52 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3b6p s VAL 122 Cb -0.27 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3b6p s VAL 122 CO 0.31 0.47 0.04 0.00 0.00 0.00 0.00 175.10 175.91 3b6p s ALA 123 N 1.35 -0.04 -0.15 5.51 0.00 -1.09 0.31 121.76 127.66 3b6p s ALA 123 Ca 0.05 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 3b6p s ALA 123 Cb -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3b6p s ALA 123 CO -0.09 -0.05 1.15 -1.58 0.00 0.00 0.00 175.76 175.19 3b6p s HIS 124 N 0.35 3.16 -1.52 0.00 2.46 -1.26 -2.42 115.29 116.07 3b6p s HIS 124 Ca -0.03 1.27 -0.04 0.00 0.47 0.00 0.00 55.06 56.74 3b6p s HIS 124 Cb -0.04 -3.37 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 3b6p s HIS 124 CO -0.01 -1.05 0.49 -1.71 -2.47 0.00 0.00 174.74 169.99 3b6p n ASN 125 N 5.95 -5.89 -0.13 9.88 4.05 -1.26 -4.84 115.26 123.02 3b6p n ASN 125 Ca 0.12 -0.23 -0.06 0.00 0.45 0.00 0.00 54.58 54.85 3b6p n ASN 125 Cb 0.46 -4.74 0.11 0.00 1.23 0.00 0.00 39.78 36.84 3b6p n ASN 125 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 3b6p h GLY 126 N -1.12 0.94 2.00 8.20 0.00 -1.80 -2.07 103.07 109.22 3b6p h GLY 126 Ca -0.50 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.09 3b6p h GLY 126 CO 0.54 0.63 -0.27 -0.55 0.00 0.00 0.00 176.54 176.89 3b6p h ASP 127 N 0.79 0.00 0.00 0.19 3.32 -1.91 0.50 116.42 119.31 3b6p h ASP 127 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3b6p h ASP 127 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3b6p h ASP 127 CO 0.03 0.27 -1.03 0.54 -1.72 0.00 0.00 179.24 177.33 3b6p n ARG 128 N -4.20 1.39 0.00 3.56 1.74 -1.19 -4.66 116.66 113.29 3b6p n ARG 128 Ca -0.02 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3b6p n ARG 128 Cb 0.32 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3b6p n ARG 128 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3b6p n TYR 129 N -1.57 0.00 -0.05 -1.55 9.36 -0.78 -4.90 117.16 117.66 3b6p n TYR 129 Ca 0.01 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.14 3b6p n TYR 129 Cb 0.30 0.30 -0.03 0.00 -0.63 0.00 0.00 39.34 39.28 3b6p n TYR 129 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3b6p h ASP 130 N 0.00 0.26 -0.00 2.98 5.19 -1.57 -2.08 116.42 121.20 3b6p h ASP 130 Ca 0.00 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3b6p h ASP 130 Cb 0.00 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 3b6p h ASP 130 CO 0.00 0.20 -0.00 -0.26 -3.12 0.00 0.00 179.24 176.05 3b6p h PHE 131 N 0.30 0.00 -0.26 4.55 0.04 -1.21 -2.22 116.94 118.14 3b6p h PHE 131 Ca 0.08 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 3b6p h PHE 131 Cb -0.03 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3b6p h PHE 131 CO -0.06 0.47 0.01 -1.35 -0.60 0.00 0.00 178.31 176.77 3b6p h PRO 132 N -0.46 0.39 -0.15 1.51 0.11 -1.71 -0.73 132.00 130.96 3b6p h PRO 132 Ca 0.00 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3b6p h PRO 132 Cb 0.47 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3b6p h PRO 132 CO 0.00 0.42 -0.07 1.25 -0.21 0.00 0.00 178.00 179.39 3b6p h LEU 133 N 0.38 0.31 -1.13 2.35 6.46 -1.40 -0.95 115.31 121.33 3b6p h LEU 133 Ca 0.09 -0.41 -0.04 0.00 -0.12 0.00 0.00 57.88 57.40 3b6p h LEU 133 Cb 0.25 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 3b6p h LEU 133 CO 0.01 0.65 0.19 0.25 -0.62 0.00 0.00 178.44 178.92 3b6p h LEU 134 N -0.03 0.74 -0.92 2.25 5.85 -1.25 -0.72 115.31 121.24 3b6p h LEU 134 Ca 0.03 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3b6p h LEU 134 Cb 0.53 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3b6p h LEU 134 CO 0.02 0.69 0.13 -0.61 -0.34 0.00 0.00 178.44 178.33 3b6p h GLN 135 N 0.79 0.92 -0.27 1.25 5.75 -1.07 -1.79 115.11 120.69 3b6p h GLN 135 Ca 0.19 -0.20 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 3b6p h GLN 135 Cb 0.20 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 3b6p h GLN 135 CO -0.01 0.83 -0.08 1.15 -2.65 0.00 0.00 178.83 178.07 3b6p h THR 136 N 0.88 1.29 -0.44 2.39 2.02 -0.58 -1.95 112.91 116.52 3b6p h THR 136 Ca 0.19 -1.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.16 3b6p h THR 136 Cb 0.34 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3b6p h THR 136 CO 0.00 0.35 -0.09 -0.33 0.37 0.00 0.00 175.52 175.83 3b6p h GLU 137 N 0.29 0.77 0.00 6.66 4.39 -1.06 -2.75 114.58 122.88 3b6p h GLU 137 Ca 0.07 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 3b6p h GLU 137 Cb 0.56 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3b6p h GLU 137 CO 0.03 0.84 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.42 3b6p h LEU 138 N 0.71 0.00 -0.97 1.33 3.38 -1.34 -3.19 115.31 115.23 3b6p h LEU 138 Ca 0.12 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 3b6p h LEU 138 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3b6p h LEU 138 CO 0.03 0.23 -0.49 0.00 0.09 0.00 0.00 178.44 178.30 3b6p h ALA 139 N 1.77 1.11 0.00 1.53 0.00 -1.05 -2.95 119.26 119.67 3b6p h ALA 139 Ca -0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 3b6p h ALA 139 Cb 1.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3b6p h ALA 139 CO 0.03 0.61 -0.22 0.00 0.00 0.00 0.00 179.25 179.67 3b6p h ARG 140 N 0.00 0.00 -7.02 0.00 3.08 -1.51 -3.45 114.38 105.47 3b6p h ARG 140 Ca -0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 3b6p h ARG 140 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3b6p h ARG 140 CO 0.06 0.22 0.34 -0.51 -1.07 0.00 0.00 179.97 179.02 3b6p s LEU 141 N -8.15 4.02 0.10 3.04 1.43 -1.12 -4.99 118.68 113.01 3b6p s LEU 141 Ca -0.03 1.73 -0.13 0.00 -1.03 0.00 0.00 54.13 54.67 3b6p s LEU 141 Cb 0.15 -4.43 -0.16 0.00 0.03 0.00 0.00 46.19 41.78 3b6p s LEU 141 CO 0.68 -0.32 1.30 0.77 0.23 0.00 0.00 176.35 179.01 3b6p h SER 142 N 2.15 0.93 -3.81 2.29 4.64 -1.88 -3.45 113.55 114.44 3b6p h SER 142 Ca -0.49 -0.63 -0.51 0.00 -0.47 0.00 0.00 61.79 59.70 3b6p h SER 142 Cb 1.18 -0.28 0.03 0.00 -0.31 0.00 0.00 62.40 63.03 3b6p h SER 142 CO 0.62 1.41 0.51 0.42 -0.87 0.00 0.00 176.83 178.92 3b6p s THR 143 N -3.76 3.33 0.69 2.95 -4.23 -1.26 -5.00 115.64 108.36 3b6p s THR 143 Ca -0.10 1.33 -0.17 0.00 -1.18 0.00 0.00 61.69 61.57 3b6p s THR 143 Cb 0.08 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 3b6p s THR 143 CO 0.90 0.31 0.85 -2.65 -0.54 0.00 0.00 174.62 173.50 3b6p n PRO 144 N 1.17 0.55 -1.94 3.99 -0.02 -1.26 -4.90 135.00 132.61 3b6p n PRO 144 Ca -0.01 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 3b6p n PRO 144 Cb 0.44 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3b6p n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3b6p s SER 145 N -1.49 6.60 0.00 2.55 0.15 -1.26 -4.90 113.70 115.35 3b6p s SER 145 Ca 0.72 2.55 0.20 0.00 0.70 0.00 0.00 55.95 60.12 3b6p s SER 145 Cb -0.37 -2.58 0.95 0.00 -1.71 0.00 0.00 66.02 62.32 3b6p s SER 145 CO 0.51 -0.85 1.61 -0.81 1.20 0.00 0.00 173.24 174.90 3b6p n PRO 146 N 4.77 0.22 -0.10 5.44 -0.04 -1.26 -2.97 135.00 141.05 3b6p n PRO 146 Ca 0.15 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 3b6p n PRO 146 Cb 0.40 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.58 3b6p n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3b6p n LEU 147 N -1.33 2.97 -4.69 1.53 4.77 -1.26 -4.83 117.00 114.16 3b6p n LEU 147 Ca 0.08 -1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 54.47 3b6p n LEU 147 Cb 0.17 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3b6p n LEU 147 CO 0.16 0.59 1.11 -1.81 -1.33 0.00 0.00 177.39 176.10 3b6p s ASP 148 N -1.69 6.87 0.00 -1.43 1.11 -1.16 -2.44 116.67 117.92 3b6p s ASP 148 Ca 0.35 2.07 0.00 0.00 0.18 0.00 0.00 52.55 55.14 3b6p s ASP 148 Cb 0.21 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.64 3b6p s ASP 148 CO 0.31 -0.72 0.00 0.61 1.18 0.00 0.00 175.17 176.55 3b6p n GLY 149 N 3.64 2.31 3.90 0.21 0.00 -1.26 -5.08 105.19 108.92 3b6p n GLY 149 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3b6p n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b6p s THR 150 N -2.57 5.29 0.49 2.61 -4.23 -1.02 -4.70 115.64 111.51 3b6p s THR 150 Ca 0.00 -0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.47 3b6p s THR 150 Cb 0.00 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.26 3b6p s THR 150 CO 0.00 0.18 0.68 -0.36 -0.54 0.00 0.00 174.62 174.58 3b6p s PHE 151 N -1.49 2.85 0.03 3.99 0.08 0.15 -1.30 117.98 122.29 3b6p s PHE 151 Ca 0.34 -0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.13 3b6p s PHE 151 Cb -0.13 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 39.76 3b6p s PHE 151 CO 0.23 -0.65 0.20 0.00 -0.10 0.00 0.00 175.22 174.89 3b6p s VAL 153 N -2.18 0.02 -0.18 0.00 0.11 0.45 -2.29 120.40 116.32 3b6p s VAL 153 Ca -0.08 -0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 58.65 3b6p s VAL 153 Cb -0.03 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 3b6p s VAL 153 CO -0.02 -0.08 0.49 -0.62 -3.33 0.00 0.00 175.10 171.55 3b6p s ASP 154 N -0.32 6.57 0.50 3.54 -1.08 -1.26 -2.66 116.67 121.95 3b6p s ASP 154 Ca -0.05 0.68 0.29 0.00 -0.52 0.00 0.00 52.55 52.95 3b6p s ASP 154 Cb -0.03 -2.28 0.94 0.00 -1.46 0.00 0.00 42.92 40.08 3b6p s ASP 154 CO 0.02 -0.13 1.83 0.77 0.52 0.00 0.00 175.17 178.18 3b6p h SER 155 N 7.30 0.00 0.21 -0.34 4.64 -1.86 -2.45 113.55 121.05 3b6p h SER 155 Ca -0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 3b6p h SER 155 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3b6p h SER 155 CO 0.74 0.03 -0.10 0.40 -0.87 0.00 0.00 176.83 177.03 3b6p h ILE 156 N 0.00 0.84 0.00 0.95 2.04 -1.93 0.17 117.51 119.59 3b6p h ILE 156 Ca -0.00 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3b6p h ILE 156 Cb 0.73 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3b6p h ILE 156 CO 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 178.15 178.09 3b6p h ALA 157 N 0.32 1.77 0.37 1.87 0.00 -1.95 0.43 119.26 122.07 3b6p h ALA 157 Ca -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3b6p h ALA 157 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3b6p h ALA 157 CO 0.05 0.17 -0.18 0.00 0.00 0.00 0.00 179.25 179.29 3b6p h ALA 158 N 1.86 -0.49 0.00 0.00 0.00 -1.18 -3.02 119.26 116.42 3b6p h ALA 158 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3b6p h ALA 158 Cb 0.24 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3b6p h ALA 158 CO 0.02 -0.56 -0.33 -0.07 0.00 0.00 0.00 179.25 178.30 3b6p h LEU 159 N -0.92 0.00 -1.19 0.00 -0.00 -0.52 -1.92 115.31 110.76 3b6p h LEU 159 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 3b6p h LEU 159 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 3b6p h LEU 159 CO 0.08 0.33 0.24 0.11 -0.00 0.00 0.00 178.44 179.20 3b6p h LYS 160 N 0.00 0.80 0.07 1.13 1.57 -0.99 0.11 116.57 119.26 3b6p h LYS 160 Ca -0.00 -0.11 -0.27 0.00 -1.87 0.00 0.00 60.65 58.39 3b6p h LYS 160 Cb 0.60 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.78 3b6p h LYS 160 CO 0.04 0.65 -1.13 0.00 -0.57 0.00 0.00 179.45 178.44 3b6p h ALA 161 N 1.47 0.13 -0.24 3.86 0.00 -1.31 -2.74 119.26 120.42 3b6p h ALA 161 Ca 0.19 -0.76 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 3b6p h ALA 161 Cb 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3b6p h ALA 161 CO -0.02 0.76 -0.58 -0.07 0.00 0.00 0.00 179.25 179.34 3b6p h LEU 162 N 0.26 0.87 -0.29 0.00 3.38 -1.15 -3.21 115.31 115.17 3b6p h LEU 162 Ca -0.14 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.25 3b6p h LEU 162 Cb 1.80 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3b6p h LEU 162 CO 0.21 1.26 -0.20 -0.08 0.09 0.00 0.00 178.44 179.72 3b6p h GLU 163 N 0.58 0.64 -2.57 1.13 4.81 -0.92 -3.30 114.58 114.96 3b6p h GLU 163 Ca 0.00 -0.31 -0.76 0.00 -0.13 0.00 0.00 59.36 58.16 3b6p h GLU 163 Cb 1.18 -0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.38 3b6p h GLU 163 CO 0.12 0.90 1.95 1.04 -0.73 0.00 0.00 179.01 182.30 3b6p n GLN 164 N -4.35 4.79 0.00 1.92 6.02 -1.03 -5.10 117.38 119.62 3b6p n GLN 164 Ca -0.04 -3.84 0.00 0.00 -0.01 0.00 0.00 57.00 53.11 3b6p n GLN 164 Cb 0.41 -2.60 0.00 0.00 1.02 0.00 0.00 30.24 29.08 3b6p n GLN 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3b6p n ALA 165 N 1.33 0.00 -0.05 -1.58 0.00 -1.23 -4.84 120.51 114.14 3b6p n ALA 165 Ca 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.99 3b6p n ALA 165 Cb 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 3b6p n ALA 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3b6p n LYS 175 N 0.00 1.03 -2.30 0.00 4.76 -1.26 -5.04 118.16 115.34 3b6p n LYS 175 Ca 0.00 -0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 54.96 3b6p n LYS 175 Cb 0.25 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 3b6p n LYS 175 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3b6p s SER 176 N -4.54 7.00 -0.23 4.39 0.15 -1.26 -4.94 113.70 114.27 3b6p s SER 176 Ca -0.07 2.31 0.13 0.00 0.70 0.00 0.00 55.95 59.02 3b6p s SER 176 Cb 0.07 -2.61 0.48 0.00 -1.71 0.00 0.00 66.02 62.26 3b6p s SER 176 CO 0.68 -0.44 1.40 -1.22 1.20 0.00 0.00 173.24 174.86 3b6p n TYR 177 N 2.50 0.85 -2.04 3.44 4.01 -1.26 -4.54 117.16 120.12 3b6p n TYR 177 Ca 0.05 -1.27 -0.35 0.00 -0.16 0.00 0.00 57.90 56.17 3b6p n TYR 177 Cb 0.44 -0.38 0.02 0.00 -0.31 0.00 0.00 39.34 39.11 3b6p n TYR 177 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3b6p s SER 178 N -2.40 5.38 0.24 7.72 1.04 -1.26 -4.86 113.70 119.55 3b6p s SER 178 Ca 0.42 2.19 -0.06 0.00 0.48 0.00 0.00 55.95 58.98 3b6p s SER 178 Cb 0.37 -2.58 0.43 0.00 0.10 0.00 0.00 66.02 64.33 3b6p s SER 178 CO 0.03 -1.45 1.70 0.25 0.98 0.00 0.00 173.24 174.75 3b6p h LEU 179 N 0.78 0.09 -0.23 2.42 5.85 -1.97 -1.95 115.31 120.30 3b6p h LEU 179 Ca -0.49 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3b6p h LEU 179 Cb 1.27 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 3b6p h LEU 179 CO 0.55 0.01 0.08 1.23 -0.34 0.00 0.00 178.44 179.98 3b6p h GLY 180 N 0.32 0.38 0.86 3.75 0.00 -1.99 -2.72 103.07 103.67 3b6p h GLY 180 Ca 0.39 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.53 3b6p h GLY 180 CO -0.46 0.20 0.40 1.76 0.00 0.00 0.00 176.54 178.45 3b6p h SER 181 N 0.21 0.65 -0.48 0.19 0.02 -1.70 -1.12 113.55 111.32 3b6p h SER 181 Ca 0.07 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3b6p h SER 181 Cb 0.22 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3b6p h SER 181 CO -0.00 0.45 -0.14 0.40 -1.14 0.00 0.00 176.83 176.39 3b6p h ILE 182 N 0.78 1.27 -0.66 3.27 2.04 -1.47 -1.50 117.51 121.23 3b6p h ILE 182 Ca 0.26 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 3b6p h ILE 182 Cb 0.03 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3b6p h ILE 182 CO -0.11 0.45 0.33 0.22 0.00 0.00 0.00 178.15 179.04 3b6p h TYR 183 N 0.79 0.94 -0.04 1.37 3.20 -1.14 -1.74 116.97 120.35 3b6p h TYR 183 Ca 0.12 -0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 3b6p h TYR 183 Cb 0.71 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3b6p h TYR 183 CO 0.05 0.69 -0.67 1.79 -1.64 0.00 0.00 178.16 178.38 3b6p h THR 184 N 0.91 1.42 -0.45 1.81 1.35 -1.15 -1.86 112.91 114.95 3b6p h THR 184 Ca 0.23 -2.16 -0.07 0.00 -0.55 0.00 0.00 66.41 63.86 3b6p h THR 184 Cb 0.09 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.64 3b6p h THR 184 CO -0.03 0.63 0.01 0.03 -0.25 0.00 0.00 175.52 175.91 3b6p h ARG 185 N 0.13 0.79 0.15 4.72 3.08 -1.06 -0.55 114.38 121.63 3b6p h ARG 185 Ca -0.01 -0.25 -0.29 0.00 0.07 0.00 0.00 59.98 59.50 3b6p h ARG 185 Cb 1.20 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 31.20 3b6p h ARG 185 CO 0.10 0.85 -1.27 -0.07 -1.07 0.00 0.00 179.97 178.50 3b6p h LEU 186 N 0.63 0.68 -1.08 3.04 3.38 -1.30 -3.39 115.31 117.28 3b6p h LEU 186 Ca 0.13 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3b6p h LEU 186 Cb 0.49 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3b6p h LEU 186 CO 0.02 1.51 0.00 -1.22 0.09 0.00 0.00 178.44 178.84 3b6p n TYR 187 N -3.68 0.00 -1.91 1.13 4.01 -0.70 -4.12 117.16 111.89 3b6p n TYR 187 Ca -0.12 -0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.46 3b6p n TYR 187 Cb 1.01 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.00 3b6p n TYR 187 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 3b6p n TRP 188 N 0.09 -0.70 -4.25 -0.72 7.02 -0.22 -4.91 117.44 113.75 3b6p n TRP 188 Ca 0.01 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.30 3b6p n TRP 188 Cb 0.04 -3.07 -0.12 0.00 -2.42 0.00 0.00 31.31 25.74 3b6p n TRP 188 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3b6p s GLN 189 N -4.13 0.89 0.31 -0.99 -0.21 -1.26 -5.04 119.66 109.22 3b6p s GLN 189 Ca 0.00 -0.90 -0.28 0.00 0.02 0.00 0.00 55.36 54.20 3b6p s GLN 189 Cb 0.00 -0.92 -0.09 0.00 1.00 0.00 0.00 33.01 33.00 3b6p s GLN 189 CO 0.00 0.21 1.08 0.00 -2.12 0.00 0.00 175.29 174.46 3b6p s ALA 190 N -1.11 3.32 0.48 6.09 0.00 -1.26 -3.73 121.76 125.54 3b6p s ALA 190 Ca -0.00 0.83 -0.22 0.00 0.00 0.00 0.00 51.96 52.57 3b6p s ALA 190 Cb -0.09 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 3b6p s ALA 190 CO 0.02 -0.16 1.17 -2.14 0.00 0.00 0.00 175.76 174.66 3b6p s PRO 191 N -1.71 3.66 0.00 0.00 0.02 -1.26 -5.04 135.00 130.67 3b6p s PRO 191 Ca 0.48 1.79 -0.05 0.00 0.02 0.00 0.00 61.00 63.23 3b6p s PRO 191 Cb -0.29 -2.35 -0.05 0.00 0.02 0.00 0.00 34.50 31.84 3b6p s PRO 191 CO 0.37 -0.63 0.24 0.95 -0.33 0.00 0.00 177.00 177.60 3b6p s THR 192 N -1.56 5.35 -1.23 0.99 -4.23 -1.26 -4.53 115.64 109.17 3b6p s THR 192 Ca 0.65 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 61.21 3b6p s THR 192 Cb -0.29 -3.55 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 3b6p s THR 192 CO 0.35 0.36 0.83 0.47 -0.54 0.00 0.00 174.62 176.08 3b6p n ASP 193 N 1.08 -2.31 -4.76 3.99 8.00 -1.26 -4.72 116.55 116.57 3b6p n ASP 193 Ca -0.11 -0.75 -0.38 0.00 0.71 0.00 0.00 54.79 54.25 3b6p n ASP 193 Cb 0.53 -4.51 0.01 0.00 -0.02 0.00 0.00 41.12 37.13 3b6p n ASP 193 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3b6p s SER 194 N -4.20 5.90 -1.73 -2.24 0.01 -1.26 -3.22 113.70 106.96 3b6p s SER 194 Ca 0.08 2.60 0.00 0.00 1.31 0.00 0.00 55.95 59.94 3b6p s SER 194 Cb -0.02 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3b6p s SER 194 CO 0.78 -1.13 0.00 1.41 0.41 0.00 0.00 173.24 174.71 3b6p n HIS 195 N -0.46 -0.50 -4.81 2.43 8.25 -1.26 -4.82 115.22 114.05 3b6p n HIS 195 Ca 0.07 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.21 3b6p n HIS 195 Cb 0.45 -3.39 -0.13 0.00 1.12 0.00 0.00 29.99 28.04 3b6p n HIS 195 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3b6p s THR 196 N -2.81 3.04 0.16 1.59 -4.23 -1.20 -4.09 115.64 108.10 3b6p s THR 196 Ca 0.00 -0.83 -0.16 0.00 -1.18 0.00 0.00 61.69 59.52 3b6p s THR 196 Cb 0.00 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.68 3b6p s THR 196 CO 0.00 0.52 1.72 0.00 -0.54 0.00 0.00 174.62 176.32 3b6p h ALA 197 N 5.10 0.39 -0.23 3.99 0.00 -1.89 0.56 119.26 127.18 3b6p h ALA 197 Ca -0.47 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 3b6p h ALA 197 Cb 1.15 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3b6p h ALA 197 CO 0.50 -0.35 -0.51 1.49 0.00 0.00 0.00 179.25 180.37 3b6p h GLU 198 N 0.16 0.76 -0.47 0.00 4.81 -1.89 -2.45 114.58 115.50 3b6p h GLU 198 Ca 0.19 -0.50 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 3b6p h GLU 198 Cb 0.24 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3b6p h GLU 198 CO -0.27 1.13 0.26 0.78 -0.73 0.00 0.00 179.01 180.18 3b6p h GLY 199 N 0.49 0.65 1.87 1.92 0.00 -1.65 -1.45 103.07 104.90 3b6p h GLY 199 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3b6p h GLY 199 CO 0.11 0.16 -0.44 -0.55 0.00 0.00 0.00 176.54 175.82 3b6p h ASP 200 N 0.53 0.15 -0.40 0.19 3.32 -0.93 -1.47 116.42 117.81 3b6p h ASP 200 Ca 0.19 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3b6p h ASP 200 Cb 0.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3b6p h ASP 200 CO -0.10 0.58 -0.02 0.58 -1.72 0.00 0.00 179.24 178.55 3b6p h VAL 201 N 0.12 1.26 -0.29 -1.35 2.07 -1.10 -0.01 116.25 116.96 3b6p h VAL 201 Ca 0.01 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.35 3b6p h VAL 201 Cb 0.83 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3b6p h VAL 201 CO 0.06 0.36 -0.31 -0.07 0.02 0.00 0.00 177.57 177.62 3b6p h LEU 202 N 0.54 0.64 -0.57 2.57 3.38 -1.11 0.55 115.31 121.31 3b6p h LEU 202 Ca 0.11 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3b6p h LEU 202 Cb 0.51 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3b6p h LEU 202 CO 0.02 0.91 0.13 0.74 0.09 0.00 0.00 178.44 180.34 3b6p h THR 203 N 0.53 1.25 -0.64 0.22 2.02 -1.22 -2.33 112.91 112.73 3b6p h THR 203 Ca 0.06 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 3b6p h THR 203 Cb 0.80 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3b6p h THR 203 CO 0.07 0.33 0.25 0.25 0.37 0.00 0.00 175.52 176.79 3b6p h LEU 204 N 0.83 0.89 -0.17 2.58 5.85 -0.58 -2.51 115.31 122.19 3b6p h LEU 204 Ca 0.18 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3b6p h LEU 204 Cb 0.36 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3b6p h LEU 204 CO 0.00 0.82 0.03 0.25 -0.34 0.00 0.00 178.44 179.21 3b6p h LEU 205 N 0.91 0.00 -0.74 2.25 6.46 -0.79 -1.32 115.31 122.07 3b6p h LEU 205 Ca 0.21 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.03 3b6p h LEU 205 Cb 0.21 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 3b6p h LEU 205 CO -0.02 0.03 0.48 0.28 -0.62 0.00 0.00 178.44 178.58 3b6p h SER 206 N 0.09 0.79 -0.34 1.25 0.02 -1.29 0.74 113.55 114.81 3b6p h SER 206 Ca 0.07 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 3b6p h SER 206 Cb 0.07 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3b6p h SER 206 CO -0.10 0.55 -0.08 0.40 -1.14 0.00 0.00 176.83 176.47 3b6p h ILE 207 N 0.94 1.25 0.00 3.27 2.04 -1.27 -2.70 117.51 121.03 3b6p h ILE 207 Ca 0.29 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 65.05 3b6p h ILE 207 Cb -0.01 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3b6p h ILE 207 CO -0.10 0.38 0.00 0.00 0.00 0.00 0.00 178.15 178.43 3b6p n GLN 209 N -2.90 1.37 0.08 0.00 6.02 0.19 -3.69 117.38 118.45 3b6p n GLN 209 Ca 0.03 -0.54 -0.13 0.00 -0.01 0.00 0.00 57.00 56.36 3b6p n GLN 209 Cb 0.44 -1.44 -0.08 0.00 1.02 0.00 0.00 30.24 30.18 3b6p n GLN 209 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 3b6p h TRP 210 N 1.22 -0.23 -2.38 1.08 7.01 -1.47 -3.38 115.95 117.81 3b6p h TRP 210 Ca 0.00 -0.01 -0.59 0.00 2.11 0.00 0.00 58.89 60.40 3b6p h TRP 210 Cb 0.26 0.08 -0.40 0.00 -2.10 0.00 0.00 29.16 27.00 3b6p h TRP 210 CO 0.02 0.16 -0.85 1.63 -2.79 0.00 0.00 178.44 176.61 3b6p n LYS 211 N -5.01 1.17 0.16 2.65 5.02 -1.26 -2.88 118.16 118.01 3b6p n LYS 211 Ca -0.09 -3.77 0.02 0.00 -2.02 0.00 0.00 58.31 52.45 3b6p n LYS 211 Cb 0.25 -1.79 0.26 0.00 -0.02 0.00 0.00 35.03 33.73 3b6p n LYS 211 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3b6p h PRO 212 N 4.81 0.00 -0.14 1.97 0.13 -1.75 -0.09 132.00 136.94 3b6p h PRO 212 Ca 0.17 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.19 3b6p h PRO 212 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3b6p h PRO 212 CO 0.57 0.48 -0.37 1.96 -0.23 0.00 0.00 178.00 180.41 3b6p h GLN 213 N 0.00 0.50 0.00 0.86 7.50 -1.88 -1.42 115.11 120.67 3b6p h GLN 213 Ca -0.00 -0.35 -0.10 0.00 0.50 0.00 0.00 58.65 58.70 3b6p h GLN 213 Cb 0.98 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.55 3b6p h GLN 213 CO 0.06 0.97 -0.47 0.00 -1.50 0.00 0.00 178.83 177.89 3b6p h ALA 214 N 0.53 1.21 -0.16 3.87 0.00 -1.94 -2.16 119.26 120.62 3b6p h ALA 214 Ca -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3b6p h ALA 214 Cb 0.98 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3b6p h ALA 214 CO 0.08 0.58 -0.09 1.25 0.00 0.00 0.00 179.25 181.07 3b6p h LEU 215 N 0.00 0.35 -1.00 0.00 7.12 -1.00 -2.67 115.31 118.11 3b6p h LEU 215 Ca -0.00 -0.43 -0.06 0.00 0.13 0.00 0.00 57.88 57.51 3b6p h LEU 215 Cb 0.83 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.84 3b6p h LEU 215 CO 0.06 0.71 0.04 -0.07 -0.13 0.00 0.00 178.44 179.05 3b6p h LEU 216 N -0.00 0.72 -0.70 2.25 3.38 -1.14 -0.68 115.31 119.13 3b6p h LEU 216 Ca 0.03 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3b6p h LEU 216 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3b6p h LEU 216 CO 0.03 0.76 -0.20 -0.61 0.09 0.00 0.00 178.44 178.51 3b6p h GLN 217 N 0.72 0.79 -0.35 1.13 4.15 -1.44 -2.14 115.11 117.98 3b6p h GLN 217 Ca 0.15 -0.31 -0.17 0.00 0.77 0.00 0.00 58.65 59.09 3b6p h GLN 217 Cb 0.38 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 3b6p h GLN 217 CO 0.01 0.93 -0.43 2.35 -1.93 0.00 0.00 178.83 179.76 3b6p h TRP 218 N 0.70 1.10 -0.48 3.99 7.01 -1.16 -2.97 115.95 124.14 3b6p h TRP 218 Ca 0.10 -0.35 0.02 0.00 2.11 0.00 0.00 58.89 60.77 3b6p h TRP 218 Cb 0.71 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.52 3b6p h TRP 218 CO 0.04 1.17 0.30 0.28 -2.79 0.00 0.00 178.44 177.44 3b6p h VAL 219 N 0.73 1.08 -0.93 2.65 2.07 -1.05 -1.52 116.25 119.28 3b6p h VAL 219 Ca 0.05 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.46 3b6p h VAL 219 Cb 1.03 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3b6p h VAL 219 CO 0.10 0.11 0.60 0.44 0.02 0.00 0.00 177.57 178.84 3b6p h ASP 220 N 0.61 0.85 1.13 0.57 3.32 -1.34 0.45 116.42 122.01 3b6p h ASP 220 Ca 0.19 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 3b6p h ASP 220 Cb -0.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3b6p h ASP 220 CO -0.07 0.49 -0.91 -0.33 -1.72 0.00 0.00 179.24 176.70 3b6p h GLU 221 N 0.94 0.00 0.00 3.56 5.08 -1.31 -3.39 114.58 119.46 3b6p h GLU 221 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3b6p h GLU 221 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3b6p h GLU 221 CO -0.19 0.26 0.00 0.72 -1.00 0.00 0.00 179.01 178.80 3b6p n HIS 222 N -2.97 0.00 -2.16 4.33 8.25 -0.60 -5.02 115.22 117.05 3b6p n HIS 222 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3b6p n HIS 222 Cb 0.72 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.80 3b6p n HIS 222 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b6p s ALA 223 N -0.29 3.59 0.14 -1.41 0.00 0.13 -4.94 121.76 118.99 3b6p s ALA 223 Ca 0.00 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.19 3b6p s ALA 223 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3b6p s ALA 223 CO 0.00 -0.62 -0.17 -0.98 0.00 0.00 0.00 175.76 174.00 3b6p s ARG 224 N 0.97 1.81 0.32 0.00 1.70 -0.97 -4.91 118.95 117.87 3b6p s ARG 224 Ca 0.64 -1.25 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 3b6p s ARG 224 Cb -0.37 -2.08 -0.11 0.00 -0.57 0.00 0.00 34.95 31.81 3b6p s ARG 224 CO 0.31 0.46 1.56 -2.14 -1.08 0.00 0.00 175.30 174.41 3b6p s PRO 225 N -2.38 4.12 0.50 3.89 0.02 -1.26 -0.50 135.00 139.39 3b6p s PRO 225 Ca 0.20 2.57 0.19 0.00 0.02 0.00 0.00 61.00 63.98 3b6p s PRO 225 Cb -0.10 -3.01 1.27 0.00 0.02 0.00 0.00 34.50 32.68 3b6p s PRO 225 CO 0.11 -0.60 2.09 0.35 -0.33 0.00 0.00 177.00 178.63 3b6p h PHE 226 N 4.26 0.00 0.00 6.54 3.57 -1.44 -1.87 116.94 128.00 3b6p h PHE 226 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 3b6p h PHE 226 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 3b6p h PHE 226 CO 0.57 0.09 0.00 -1.13 -2.23 0.00 0.00 178.31 175.61 3b6p n SER 227 N -4.23 0.00 0.02 0.41 3.41 -1.26 -1.52 113.62 110.44 3b6p n SER 227 Ca -0.03 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 3b6p n SER 227 Cb 0.17 -0.50 0.22 0.00 -0.26 0.00 0.00 64.21 63.84 3b6p n SER 227 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3b6p n THR 228 N -1.50 0.10 -2.45 6.66 -2.24 -0.70 -4.89 114.28 109.26 3b6p n THR 228 Ca 0.03 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 3b6p n THR 228 Cb 0.12 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 3b6p n THR 228 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3b6p s VAL 229 N -3.06 4.28 0.32 2.28 1.01 -0.58 -5.01 120.40 119.64 3b6p s VAL 229 Ca 0.09 1.58 -0.28 0.00 0.00 0.00 0.00 61.98 63.37 3b6p s VAL 229 Cb 0.16 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 3b6p s VAL 229 CO 0.71 -0.08 1.13 -0.54 0.00 0.00 0.00 175.10 176.33 3b6p s LYS 230 N 2.90 4.46 0.57 2.72 1.02 -1.26 -4.96 119.74 125.19 3b6p s LYS 230 Ca 0.55 1.83 -0.19 0.00 0.02 0.00 0.00 55.97 58.18 3b6p s LYS 230 Cb -0.23 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 3b6p s LYS 230 CO 0.18 0.04 1.20 -2.14 -0.92 0.00 0.00 175.35 173.71 3b6p s PRO 231 N -1.74 3.11 0.14 -1.68 0.02 -1.26 -4.37 135.00 129.21 3b6p s PRO 231 Ca 0.48 1.81 -0.17 0.00 0.02 0.00 0.00 61.00 63.14 3b6p s PRO 231 Cb -0.32 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 3b6p s PRO 231 CO 0.41 -1.09 1.77 1.98 -0.33 0.00 0.00 177.00 179.73 3b6p h MET 232 N 1.06 0.47 -3.69 5.54 4.05 -1.56 -3.46 114.93 117.34 3b6p h MET 232 Ca -0.50 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 58.80 3b6p h MET 232 Cb 1.29 -0.10 -0.13 0.00 -0.80 0.00 0.00 31.60 31.86 3b6p h MET 232 CO 0.56 0.35 -0.24 1.52 0.23 0.00 0.00 176.91 179.33 3b6p s TYR 233 N -6.00 0.13 0.00 1.39 1.13 -1.26 -5.06 117.35 107.68 3b6p s TYR 233 Ca -0.13 -0.51 0.00 0.00 -1.41 0.00 0.00 57.07 55.02 3b6p s TYR 233 Cb 0.10 0.06 0.00 0.00 -1.10 0.00 0.00 41.96 41.02 3b6p s TYR 233 CO 0.72 -0.68 0.00 0.41 -2.51 0.00 0.00 175.55 173.49