#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 0.00 -1.85 1.61 1.44 -1.26 -4.91 115.22 110.25 3b6p n HIS 10 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 3b6p n HIS 10 Cb 0.00 -0.96 -0.03 0.00 0.12 0.00 0.00 29.99 29.12 3b6p n HIS 10 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3b6p s MET 11 N -2.48 3.55 -0.02 -1.40 -1.94 -1.26 -4.32 119.30 111.44 3b6p s MET 11 Ca -0.17 1.90 0.10 0.00 -1.71 0.00 0.00 55.69 55.81 3b6p s MET 11 Cb 0.07 -4.20 -0.23 0.00 2.01 0.00 0.00 34.83 32.48 3b6p s MET 11 CO 0.73 -1.61 0.77 1.96 -0.01 0.00 0.00 175.02 176.86 3b6p h GLN 12 N 12.54 0.02 -4.50 2.03 1.08 -1.66 -3.42 115.11 121.20 3b6p h GLN 12 Ca -0.39 -0.04 -0.52 0.00 -1.45 0.00 0.00 58.65 56.25 3b6p h GLN 12 Cb 1.20 0.02 -0.34 0.00 -0.05 0.00 0.00 27.48 28.31 3b6p h GLN 12 CO 0.98 0.64 -0.81 0.99 -0.95 0.00 0.00 178.83 179.68 3b6p s THR 13 N -2.62 1.13 -0.26 -0.54 2.01 -1.15 -0.16 115.64 114.05 3b6p s THR 13 Ca -0.05 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 3b6p s THR 13 Cb 0.08 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 3b6p s THR 13 CO 0.82 0.36 0.07 -0.76 -0.69 0.00 0.00 174.62 174.42 3b6p s LEU 14 N 0.82 3.55 -0.40 4.42 1.43 -0.58 -0.84 118.68 127.08 3b6p s LEU 14 Ca -0.12 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 3b6p s LEU 14 Cb -0.15 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.19 3b6p s LEU 14 CO 0.02 -0.08 0.27 -0.63 0.23 0.00 0.00 176.35 176.16 3b6p s ILE 15 N 1.58 4.90 -0.21 -0.59 1.01 0.38 -1.56 121.20 126.71 3b6p s ILE 15 Ca 0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 3b6p s ILE 15 Cb -0.16 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3b6p s ILE 15 CO 0.03 -0.33 1.22 -0.36 0.00 0.00 0.00 174.94 175.50 3b6p s PHE 16 N 1.60 2.93 -0.02 3.97 0.08 0.46 0.15 117.98 127.15 3b6p s PHE 16 Ca 0.03 1.08 0.07 0.00 0.12 0.00 0.00 56.93 58.23 3b6p s PHE 16 Cb -0.20 -3.53 -0.02 0.00 -0.57 0.00 0.00 43.02 38.70 3b6p s PHE 16 CO 0.08 -1.43 -0.23 -1.17 -0.10 0.00 0.00 175.22 172.36 3b6p s LEU 17 N 3.60 2.04 -0.08 -0.37 1.98 0.82 -0.60 118.68 126.06 3b6p s LEU 17 Ca 0.52 -0.42 -0.08 0.00 -2.89 0.00 0.00 54.13 51.26 3b6p s LEU 17 Cb -0.19 -1.19 0.02 0.00 0.66 0.00 0.00 46.19 45.49 3b6p s LEU 17 CO 0.14 0.27 0.23 -0.62 -1.89 0.00 0.00 176.35 174.48 3b6p s ASP 18 N -0.47 -0.22 -0.03 3.68 2.15 -0.95 -4.25 116.67 116.58 3b6p s ASP 18 Ca 0.07 0.41 0.07 0.00 0.43 0.00 0.00 52.55 53.53 3b6p s ASP 18 Cb -0.10 0.45 -0.02 0.00 -0.30 0.00 0.00 42.92 42.96 3b6p s ASP 18 CO -0.00 -0.11 -0.23 -0.76 -0.17 0.00 0.00 175.17 173.89 3b6p s LEU 19 N -0.02 2.20 -0.04 -1.34 1.43 -1.26 -1.62 118.68 118.03 3b6p s LEU 19 Ca -0.01 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3b6p s LEU 19 Cb -0.02 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 3b6p s LEU 19 CO 0.01 0.31 0.11 -1.61 0.23 0.00 0.00 176.35 175.40 3b6p s GLU 20 N -0.57 3.22 0.30 1.70 0.41 0.46 -4.92 118.70 119.29 3b6p s GLU 20 Ca 0.08 -0.37 0.01 0.00 -0.41 0.00 0.00 54.97 54.29 3b6p s GLU 20 Cb -0.11 -2.97 -0.02 0.00 -1.78 0.00 0.00 34.13 29.25 3b6p s GLU 20 CO -0.00 0.69 0.33 0.00 -0.49 0.00 0.00 175.26 175.78 3b6p s ALA 21 N -1.16 1.18 0.01 5.21 0.00 -1.26 -0.05 121.76 125.69 3b6p s ALA 21 Ca 0.21 -1.71 0.32 0.00 0.00 0.00 0.00 51.96 50.78 3b6p s ALA 21 Cb -0.12 1.32 1.24 0.00 0.00 0.00 0.00 23.12 25.56 3b6p s ALA 21 CO 0.12 -0.71 1.93 1.79 0.00 0.00 0.00 175.76 178.89 3b6p h THR 22 N 2.24 0.00 0.00 0.00 1.35 -1.74 -3.46 112.91 111.30 3b6p h THR 22 Ca -0.28 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3b6p h THR 22 Cb 1.24 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3b6p h THR 22 CO 0.41 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 3b6p n GLY 23 N 0.15 -0.67 3.92 5.82 0.00 -1.26 -0.86 105.19 112.28 3b6p n GLY 23 Ca 0.01 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 3.63 0.50 0.99 1.43 -1.26 -4.75 118.68 119.22 3b6p s LEU 24 Ca 0.00 0.77 0.33 0.00 -1.03 0.00 0.00 54.13 54.20 3b6p s LEU 24 Cb 0.00 -3.69 1.46 0.00 0.03 0.00 0.00 46.19 43.99 3b6p s LEU 24 CO 0.00 -0.62 1.77 -0.65 0.23 0.00 0.00 176.35 177.08 3b6p h PRO 25 N 0.26 0.09 0.00 1.29 0.11 -1.98 -0.42 132.00 131.35 3b6p h PRO 25 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3b6p h PRO 25 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3b6p h PRO 25 CO 0.61 0.06 -0.27 0.66 -0.21 0.00 0.00 178.00 178.85 3b6p h SER 26 N 0.09 0.00 0.07 -2.05 4.64 -2.00 -3.02 113.55 111.29 3b6p h SER 26 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3b6p h SER 26 Cb 2.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.30 3b6p h SER 26 CO -0.10 0.27 -0.04 -1.54 -0.87 0.00 0.00 176.83 174.55 3b6p n SER 27 N -3.45 0.85 -3.20 4.97 3.41 -0.17 -4.96 113.62 111.07 3b6p n SER 27 Ca -0.00 -1.15 -0.06 0.00 -0.26 0.00 0.00 58.87 57.41 3b6p n SER 27 Cb 0.45 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.42 -1.41 -2.04 4.33 1.74 -1.14 -4.96 116.66 112.75 3b6p n ARG 28 Ca 0.19 1.32 -0.32 0.00 -0.77 0.00 0.00 57.85 58.27 3b6p n ARG 28 Cb 0.27 -5.21 0.01 0.00 -1.02 0.00 0.00 32.46 26.50 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 -3.47 3.45 -0.01 5.56 0.04 -1.26 -5.02 135.00 134.29 3b6p s PRO 29 Ca 0.05 1.05 0.07 0.00 0.04 0.00 0.00 61.00 62.20 3b6p s PRO 29 Cb -0.01 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3b6p s PRO 29 CO 0.77 -0.69 -0.23 -1.21 0.04 0.00 0.00 177.00 175.68 3b6p s GLU 30 N -4.36 2.13 0.17 4.56 2.02 -1.26 -4.91 118.70 117.05 3b6p s GLU 30 Ca 0.60 -0.92 -0.31 0.00 0.02 0.00 0.00 54.97 54.36 3b6p s GLU 30 Cb -0.13 -2.11 -0.10 0.00 0.10 0.00 0.00 34.13 31.88 3b6p s GLU 30 CO 0.40 0.56 1.51 0.08 0.02 0.00 0.00 175.26 177.84 3b6p s VAL 31 N -0.71 2.75 -0.03 2.63 1.01 -1.26 -1.98 120.40 122.81 3b6p s VAL 31 Ca 0.11 0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.74 3b6p s VAL 31 Cb -0.10 -3.35 -0.15 0.00 0.00 0.00 0.00 36.38 32.78 3b6p s VAL 31 CO 0.01 0.05 0.17 0.35 0.00 0.00 0.00 175.10 175.68 3b6p n THR 32 N 3.63 0.17 -3.68 3.92 -2.24 0.93 -4.41 114.28 112.61 3b6p n THR 32 Ca 0.12 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 3b6p n THR 32 Cb 0.39 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.58 0.64 0.06 -0.78 2.12 -0.97 0.89 118.70 118.08 3b6p s GLU 33 Ca -0.04 0.81 0.05 0.00 0.36 0.00 0.00 54.97 56.15 3b6p s GLU 33 Cb 0.06 0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 3b6p s GLU 33 CO 0.41 -0.09 -0.14 -0.48 -0.54 0.00 0.00 175.26 174.43 3b6p s LEU 34 N 0.44 2.24 -0.03 2.70 0.05 -0.27 -0.41 118.68 123.40 3b6p s LEU 34 Ca -0.01 -0.55 0.01 0.00 0.05 0.00 0.00 54.13 53.62 3b6p s LEU 34 Cb -0.04 -0.51 0.02 0.00 -2.05 0.00 0.00 46.19 43.61 3b6p s LEU 34 CO -0.01 -0.05 -0.02 0.00 -0.55 0.00 0.00 176.35 175.72 3b6p s LEU 36 N 0.88 2.19 -0.30 0.00 1.02 0.18 -2.24 118.68 120.42 3b6p s LEU 36 Ca -0.10 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.52 3b6p s LEU 36 Cb -0.13 -1.46 0.09 0.00 0.02 0.00 0.00 46.19 44.70 3b6p s LEU 36 CO -0.01 0.11 0.02 -0.22 0.02 0.00 0.00 176.35 176.27 3b6p s LEU 37 N 0.62 3.72 -0.23 1.79 2.96 0.23 -0.51 118.68 127.26 3b6p s LEU 37 Ca -0.11 -1.78 -0.21 0.00 -0.22 0.00 0.00 54.13 51.81 3b6p s LEU 37 Cb -0.16 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 3b6p s LEU 37 CO 0.03 -0.33 0.65 0.00 -1.32 0.00 0.00 176.35 175.37 3b6p s ALA 38 N 1.15 3.59 -0.09 5.97 0.00 0.12 -0.40 121.76 132.09 3b6p s ALA 38 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.68 3b6p s ALA 38 Cb -0.19 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3b6p s ALA 38 CO -0.10 -0.71 -0.10 0.08 0.00 0.00 0.00 175.76 174.93 3b6p s VAL 39 N 2.28 1.08 0.52 0.00 1.01 -0.60 -1.89 120.40 122.80 3b6p s VAL 39 Ca 0.28 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 3b6p s VAL 39 Cb -0.16 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 3b6p s VAL 39 CO 0.09 0.36 1.21 -2.28 0.00 0.00 0.00 175.10 174.48 3b6p s HIS 40 N 1.19 2.63 0.27 5.22 2.46 -1.26 -1.52 115.29 124.27 3b6p s HIS 40 Ca -0.05 1.50 -0.01 0.00 0.47 0.00 0.00 55.06 56.97 3b6p s HIS 40 Cb -0.14 -3.48 0.60 0.00 -0.13 0.00 0.00 32.58 29.43 3b6p s HIS 40 CO -0.02 -1.95 1.65 -0.09 -2.47 0.00 0.00 174.74 171.86 3b6p h ARG 41 N 1.58 0.20 0.00 2.88 2.43 -0.82 -1.48 114.38 119.17 3b6p h ARG 41 Ca -0.50 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.62 3b6p h ARG 41 Cb 1.27 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3b6p h ARG 41 CO 0.58 0.13 -0.16 0.00 -1.51 0.00 0.00 179.97 179.01 3b6p h ARG 42 N 0.21 0.00 -0.29 0.20 3.08 -1.92 -1.48 114.38 114.19 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 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3b6p h ARG 42 CO -0.62 0.16 -0.43 0.00 -1.07 0.00 0.00 179.97 178.00 3b6p h ALA 43 N 1.84 0.70 -0.06 0.04 0.00 -1.64 -1.68 119.26 118.45 3b6p h ALA 43 Ca -0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 54.91 54.21 3b6p h ALA 43 Cb 0.31 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3b6p h ALA 43 CO 0.02 0.67 -0.91 -0.07 0.00 0.00 0.00 179.25 178.96 3b6p h LEU 44 N 0.58 0.85 -0.55 0.00 3.38 -1.43 -3.05 115.31 115.09 3b6p h LEU 44 Ca 0.04 -0.62 0.06 0.00 0.09 0.00 0.00 57.88 57.45 3b6p h LEU 44 Cb 0.98 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3b6p h LEU 44 CO 0.09 1.42 0.27 -0.33 0.09 0.00 0.00 178.44 179.98 3b6p h GLU 45 N 0.42 0.50 -0.48 1.13 5.08 -1.25 -2.75 114.58 117.22 3b6p h GLU 45 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3b6p h GLU 45 Cb 1.54 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.68 3b6p h GLU 45 CO 0.18 0.33 0.00 0.09 -1.00 0.00 0.00 179.01 178.60 3b6p n ASN 46 N -4.89 2.03 -4.74 1.42 3.02 -0.64 -4.80 115.26 106.66 3b6p n ASN 46 Ca 0.06 -2.13 -0.41 0.00 -0.03 0.00 0.00 54.58 52.07 3b6p n ASN 46 Cb 0.17 -0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.64 4.06 0.36 3.41 2.01 -1.04 -5.01 115.64 117.79 3b6p s THR 47 Ca 0.20 1.85 -0.28 0.00 0.31 0.00 0.00 61.69 63.77 3b6p s THR 47 Cb 0.12 -4.18 -0.11 0.00 0.01 0.00 0.00 72.50 68.34 3b6p s THR 47 CO 0.11 0.35 1.50 -0.44 -0.69 0.00 0.00 174.62 175.46 3b6p s SER 48 N -0.43 6.36 0.02 3.53 0.01 -1.26 -4.92 113.70 117.01 3b6p s SER 48 Ca 0.46 3.03 -0.30 0.00 1.31 0.00 0.00 55.95 60.44 3b6p s SER 48 Cb -0.27 -2.66 -0.06 0.00 0.21 0.00 0.00 66.02 63.24 3b6p s SER 48 CO 0.33 -0.88 1.35 -0.63 0.41 0.00 0.00 173.24 173.83 3b6p s ILE 49 N -0.91 3.74 -0.06 1.44 1.01 -1.26 -4.92 121.20 120.23 3b6p s ILE 49 Ca 0.55 1.16 -0.35 0.00 0.00 0.00 0.00 60.65 62.01 3b6p s ILE 49 Cb -0.47 -3.75 -0.13 0.00 0.01 0.00 0.00 42.46 38.13 3b6p s ILE 49 CO 0.60 0.02 1.78 -1.20 0.00 0.00 0.00 174.94 176.15 3b6p n SER 50 N 4.94 3.17 -4.02 3.58 7.64 -1.24 -4.98 113.62 122.71 3b6p n SER 50 Ca 0.12 1.01 -0.26 0.00 1.01 0.00 0.00 58.87 60.75 3b6p n SER 50 Cb 0.44 -1.34 -0.17 0.00 -1.01 0.00 0.00 64.21 62.13 3b6p n SER 50 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3b6p s GLN 51 N 3.26 1.84 0.00 1.43 2.00 -1.26 -5.02 119.66 121.91 3b6p s GLN 51 Ca 0.90 -0.44 0.00 0.00 -2.00 0.00 0.00 55.36 53.82 3b6p s GLN 51 Cb -0.75 -1.56 0.00 0.00 0.80 0.00 0.00 33.01 31.50 3b6p s GLN 51 CO 0.51 -0.02 0.00 0.41 -0.50 0.00 0.00 175.29 175.68 3b6p n GLY 52 N 4.03 2.49 2.52 2.59 0.00 -1.26 -4.44 105.19 111.13 3b6p n GLY 52 Ca -0.21 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.27 0.55 0.45 1.61 3.76 -1.26 -2.76 115.29 115.36 3b6p s HIS 53 Ca 0.00 -1.21 -0.17 0.00 -0.15 0.00 0.00 55.06 53.54 3b6p s HIS 53 Cb 0.00 -0.96 -0.09 0.00 1.11 0.00 0.00 32.58 32.65 3b6p s HIS 53 CO 0.00 -0.83 0.91 -1.25 -0.85 0.00 0.00 174.74 172.72 3b6p s PRO 54 N 1.68 4.01 0.62 8.40 0.04 -1.26 -5.16 135.00 143.34 3b6p s PRO 54 Ca 0.12 0.89 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 3b6p s PRO 54 Cb -0.19 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 3b6p s PRO 54 CO -0.22 -0.11 1.08 -1.25 0.04 0.00 0.00 177.00 176.54 3b6p s PRO 55 N -3.63 3.09 0.64 0.56 0.04 -1.11 -5.03 135.00 129.57 3b6p s PRO 55 Ca 0.58 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 3b6p s PRO 55 Cb -0.10 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 3b6p s PRO 55 CO 0.24 -1.00 1.17 -2.14 0.04 0.00 0.00 177.00 175.31 3b6p s PRO 56 N -4.13 2.76 -0.02 0.56 0.02 -1.26 -4.70 135.00 128.22 3b6p s PRO 56 Ca 0.65 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 3b6p s PRO 56 Cb -0.18 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 3b6p s PRO 56 CO 0.40 -1.34 1.77 0.08 -0.33 0.00 0.00 177.00 177.58 3b6p s VAL 57 N -1.92 3.37 0.48 3.83 1.01 -1.26 -4.93 120.40 120.99 3b6p s VAL 57 Ca 0.73 0.46 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 3b6p s VAL 57 Cb -0.27 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 3b6p s VAL 57 CO 0.38 -0.04 1.36 -2.65 0.00 0.00 0.00 175.10 174.15 3b6p n PRO 58 N 7.24 1.95 -2.50 2.72 -0.02 -1.26 -4.96 135.00 138.17 3b6p n PRO 58 Ca 0.18 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 3b6p n PRO 58 Cb 0.42 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 3b6p n PRO 58 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3b6p s ARG 59 N -2.57 4.44 0.54 -0.52 3.52 -1.26 -4.91 118.95 118.19 3b6p s ARG 59 Ca 0.65 1.66 -0.22 0.00 -0.13 0.00 0.00 55.73 57.69 3b6p s ARG 59 Cb -0.45 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.46 3b6p s ARG 59 CO 0.54 -0.26 1.33 -1.25 -0.81 0.00 0.00 175.30 174.85 3b6p s PRO 60 N 1.37 3.18 0.60 5.12 0.04 -1.26 -4.96 135.00 139.08 3b6p s PRO 60 Ca 0.56 2.17 -0.19 0.00 0.04 0.00 0.00 61.00 63.58 3b6p s PRO 60 Cb -0.26 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 3b6p s PRO 60 CO 0.27 -1.14 1.04 -2.30 0.04 0.00 0.00 177.00 174.91 3b6p n PRO 61 N -1.02 1.00 -0.02 0.56 -0.02 -1.26 -4.96 135.00 129.28 3b6p n PRO 61 Ca 0.10 0.39 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3b6p n PRO 61 Cb 0.46 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 3b6p n PRO 61 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3b6p h ARG 62 N 0.61 0.06 -5.98 -0.52 9.65 -1.96 -3.40 114.38 112.84 3b6p h ARG 62 Ca -0.49 -0.04 -0.59 0.00 -1.10 0.00 0.00 59.98 57.76 3b6p h ARG 62 Cb 1.36 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.83 3b6p h ARG 62 CO 0.52 0.58 0.72 0.08 2.80 0.00 0.00 179.97 184.67 3b6p s VAL 63 N -4.08 4.19 0.00 0.20 1.01 -1.26 -4.99 120.40 115.47 3b6p s VAL 63 Ca -0.16 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3b6p s VAL 63 Cb 0.02 -4.67 -0.00 0.00 0.00 0.00 0.00 36.38 31.72 3b6p s VAL 63 CO 0.69 -1.37 -0.00 -0.69 0.00 0.00 0.00 175.10 173.73 3b6p s VAL 64 N 4.47 0.03 -0.22 2.92 1.01 -1.26 -4.66 120.40 122.69 3b6p s VAL 64 Ca 0.31 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 3b6p s VAL 64 Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 3b6p s VAL 64 CO 0.17 -0.03 0.11 -1.81 0.00 0.00 0.00 175.10 173.55 3b6p s ASP 65 N -0.10 5.75 -0.05 3.32 1.11 -0.79 -4.99 116.67 120.92 3b6p s ASP 65 Ca -0.01 0.04 0.04 0.00 0.18 0.00 0.00 52.55 52.79 3b6p s ASP 65 Cb -0.01 -2.02 0.00 0.00 1.07 0.00 0.00 42.92 41.96 3b6p s ASP 65 CO -0.00 0.08 -0.16 -0.75 1.18 0.00 0.00 175.17 175.52 3b6p s LYS 66 N 0.94 1.83 -0.11 8.23 2.20 -1.26 0.11 119.74 131.68 3b6p s LYS 66 Ca 0.06 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 55.08 3b6p s LYS 66 Cb -0.13 -1.55 0.03 0.00 -1.51 0.00 0.00 37.83 34.66 3b6p s LYS 66 CO 0.03 0.19 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.99 3b6p s LEU 67 N 0.20 1.06 -0.09 5.43 2.96 0.34 -5.00 118.68 123.57 3b6p s LEU 67 Ca -0.07 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3b6p s LEU 67 Cb -0.13 -0.72 0.02 0.00 0.50 0.00 0.00 46.19 45.86 3b6p s LEU 67 CO 0.03 -0.16 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.26 3b6p s SER 68 N 1.78 1.94 -0.01 3.68 0.15 -1.26 0.51 113.70 120.50 3b6p s SER 68 Ca 0.04 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.41 3b6p s SER 68 Cb -0.13 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 3b6p s SER 68 CO -0.07 -0.04 -0.03 -0.76 1.20 0.00 0.00 173.24 173.53 3b6p s LEU 69 N 1.19 1.88 -0.11 3.45 1.43 0.02 -5.01 118.68 121.54 3b6p s LEU 69 Ca -0.05 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 3b6p s LEU 69 Cb -0.14 -0.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.82 3b6p s LEU 69 CO -0.02 0.03 0.32 0.00 0.23 0.00 0.00 176.35 176.91 3b6p s ILE 71 N -0.10 1.53 -0.14 0.00 1.01 0.26 -4.57 121.20 119.19 3b6p s ILE 71 Ca 0.19 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 3b6p s ILE 71 Cb -0.14 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 3b6p s ILE 71 CO 0.07 0.44 1.15 0.00 0.00 0.00 0.00 174.94 176.60 3b6p s ALA 72 N 0.54 3.57 0.59 9.38 0.00 -0.73 -4.21 121.76 130.92 3b6p s ALA 72 Ca -0.16 0.43 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 3b6p s ALA 72 Cb -0.17 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 3b6p s ALA 72 CO 0.06 -0.92 0.96 -1.25 0.00 0.00 0.00 175.76 174.61 3b6p s PRO 73 N 2.78 3.39 0.16 0.00 0.04 -1.26 -4.11 135.00 136.01 3b6p s PRO 73 Ca 0.52 0.48 0.05 0.00 0.04 0.00 0.00 61.00 62.09 3b6p s PRO 73 Cb -0.20 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 3b6p s PRO 73 CO 0.15 -0.57 1.37 0.78 0.04 0.00 0.00 177.00 178.78 3b6p h GLY 74 N -0.22 0.09 -3.14 0.56 0.00 -1.95 -3.46 103.07 94.95 3b6p h GLY 74 Ca -0.45 -0.18 -0.60 0.00 0.00 0.00 0.00 47.33 46.10 3b6p h GLY 74 CO 0.62 0.16 -0.69 -1.59 0.00 0.00 0.00 176.54 175.04 3b6p s LYS 75 N -3.06 2.17 0.56 4.80 -2.85 -1.26 -5.12 119.74 114.99 3b6p s LYS 75 Ca -0.01 -1.31 -0.19 0.00 -1.00 0.00 0.00 55.97 53.46 3b6p s LYS 75 Cb 0.10 -2.18 -0.05 0.00 -2.06 0.00 0.00 37.83 33.65 3b6p s LYS 75 CO 0.81 0.41 1.15 0.00 0.10 0.00 0.00 175.35 177.83 3b6p s ALA 76 N -1.93 2.64 0.43 0.59 0.00 -1.26 -4.89 121.76 117.34 3b6p s ALA 76 Ca 0.27 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.85 3b6p s ALA 76 Cb -0.08 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3b6p s ALA 76 CO 0.17 -0.91 1.14 0.00 0.00 0.00 0.00 175.76 176.16 3b6p s SER 78 N -1.37 5.76 0.29 0.00 1.04 -0.04 -4.84 113.70 114.53 3b6p s SER 78 Ca 0.61 2.15 0.03 0.00 0.48 0.00 0.00 55.95 59.22 3b6p s SER 78 Cb -0.27 -2.58 0.69 0.00 0.10 0.00 0.00 66.02 63.96 3b6p s SER 78 CO 0.34 -1.19 1.72 -0.65 0.98 0.00 0.00 173.24 174.44 3b6p h PRO 79 N 1.20 0.49 -0.51 4.02 0.11 -1.96 -0.65 132.00 134.70 3b6p h PRO 79 Ca -0.50 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3b6p h PRO 79 Cb 1.26 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3b6p h PRO 79 CO 0.57 0.32 -0.05 0.78 -0.21 0.00 0.00 178.00 179.41 3b6p h GLY 80 N 0.50 1.01 1.19 -0.55 0.00 -1.95 -2.02 103.07 101.26 3b6p h GLY 80 Ca 0.54 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 3b6p h GLY 80 CO -0.47 0.72 -0.12 0.00 0.00 0.00 0.00 176.54 176.68 3b6p h ALA 81 N 0.92 0.83 -0.59 3.60 0.00 -1.63 -2.76 119.26 119.63 3b6p h ALA 81 Ca 0.14 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3b6p h ALA 81 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3b6p h ALA 81 CO 0.04 0.65 0.07 0.77 0.00 0.00 0.00 179.25 180.78 3b6p h SER 82 N 0.84 0.93 -0.42 0.00 0.02 -1.08 -1.78 113.55 112.06 3b6p h SER 82 Ca 0.13 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 3b6p h SER 82 Cb 0.66 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3b6p h SER 82 CO 0.05 0.95 0.10 -0.08 -1.14 0.00 0.00 176.83 176.71 3b6p h GLU 83 N 0.91 0.67 0.13 3.45 4.81 -1.25 -0.59 114.58 122.72 3b6p h GLU 83 Ca 0.18 -0.16 -0.28 0.00 -0.13 0.00 0.00 59.36 58.97 3b6p h GLU 83 Cb 0.43 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.74 3b6p h GLU 83 CO 0.01 0.69 -1.24 -0.84 -0.73 0.00 0.00 179.01 176.90 3b6p h ILE 84 N 0.55 1.41 0.00 2.32 3.07 -1.47 -3.35 117.51 120.04 3b6p h ILE 84 Ca 0.13 -2.81 -0.19 0.00 1.55 0.00 0.00 64.86 63.55 3b6p h ILE 84 Cb 0.31 2.85 -0.03 0.00 -0.27 0.00 0.00 36.82 39.68 3b6p h ILE 84 CO 0.00 0.83 -1.28 0.71 -1.05 0.00 0.00 178.15 177.36 3b6p h THR 85 N 0.14 0.74 -0.00 0.16 1.35 -1.37 -3.42 112.91 110.50 3b6p h THR 85 Ca -0.16 -2.30 -0.00 0.00 -0.55 0.00 0.00 66.41 63.40 3b6p h THR 85 Cb 1.94 2.25 -0.00 0.00 -1.73 0.00 0.00 68.15 70.61 3b6p h THR 85 CO 0.22 0.42 -0.00 0.61 -0.25 0.00 0.00 175.52 176.52 3b6p n GLY 86 N 1.39 0.47 3.50 5.82 0.00 -0.23 -4.74 105.19 111.41 3b6p n GLY 86 Ca -0.08 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.02 2.78 0.03 0.99 1.43 -1.24 -5.05 118.68 117.60 3b6p s LEU 87 Ca 0.00 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3b6p s LEU 87 Cb 0.00 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 3b6p s LEU 87 CO 0.00 0.23 -0.02 -0.94 0.23 0.00 0.00 176.35 175.85 3b6p s SER 88 N -1.68 0.28 0.27 2.29 1.04 -1.26 -4.28 113.70 110.36 3b6p s SER 88 Ca 0.17 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 3b6p s SER 88 Cb -0.11 0.12 0.49 0.00 0.10 0.00 0.00 66.02 66.63 3b6p s SER 88 CO 0.08 -0.36 1.84 0.50 0.98 0.00 0.00 173.24 176.27 3b6p h LYS 89 N 4.36 0.94 -0.40 4.02 3.64 -1.93 -1.07 116.57 126.13 3b6p h LYS 89 Ca -0.32 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.98 3b6p h LYS 89 Cb 1.20 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 3b6p h LYS 89 CO 0.46 0.62 0.17 0.00 -2.27 0.00 0.00 179.45 178.43 3b6p h ALA 90 N 1.51 0.51 -0.11 5.00 0.00 -1.98 -1.72 119.26 122.47 3b6p h ALA 90 Ca 0.46 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 3b6p h ALA 90 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3b6p h ALA 90 CO -0.25 0.10 -0.66 1.49 0.00 0.00 0.00 179.25 179.93 3b6p h GLU 91 N 0.50 0.43 -0.54 0.00 4.57 -1.88 -1.88 114.58 115.76 3b6p h GLU 91 Ca 0.13 -0.31 -0.09 0.00 -1.18 0.00 0.00 59.36 57.90 3b6p h GLU 91 Cb 0.16 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3b6p h GLU 91 CO -0.01 0.94 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.65 3b6p h LEU 92 N 0.31 0.94 -0.14 1.64 3.38 -1.13 -2.71 115.31 117.60 3b6p h LEU 92 Ca -0.02 -0.27 -0.23 0.00 0.09 0.00 0.00 57.88 57.45 3b6p h LEU 92 Cb 1.21 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3b6p h LEU 92 CO 0.11 1.02 -0.97 -0.33 0.09 0.00 0.00 178.44 178.36 3b6p h GLU 93 N 0.87 0.43 0.00 1.13 5.08 -1.25 -1.11 114.58 119.72 3b6p h GLU 93 Ca 0.15 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3b6p h GLU 93 Cb 0.56 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 3b6p h GLU 93 CO 0.03 1.13 -0.04 -0.24 -1.00 0.00 0.00 179.01 178.90 3b6p h VAL 94 N 0.23 0.09 -0.64 3.13 3.04 -1.35 -2.29 116.25 118.47 3b6p h VAL 94 Ca -0.09 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 3b6p h VAL 94 Cb 1.62 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.47 3b6p h VAL 94 CO 0.17 0.04 0.00 0.00 -1.01 0.00 0.00 177.57 176.77 3b6p n GLN 95 N -3.14 4.09 -1.84 4.17 6.02 -1.02 -4.97 117.38 120.69 3b6p n GLN 95 Ca 0.01 -2.98 -0.10 0.00 -0.01 0.00 0.00 57.00 53.92 3b6p n GLN 95 Cb 0.34 -2.01 -0.02 0.00 1.02 0.00 0.00 30.24 29.57 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 1.02 0.41 3.77 1.08 0.00 -0.86 -5.01 105.19 105.61 3b6p n GLY 96 Ca 0.27 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.86 4.40 0.30 1.61 1.81 -0.43 -5.03 118.95 117.75 3b6p s ARG 97 Ca 0.00 1.80 0.02 0.00 -1.72 0.00 0.00 55.73 55.83 3b6p s ARG 97 Cb 0.00 -2.95 -0.03 0.00 -0.45 0.00 0.00 34.95 31.52 3b6p s ARG 97 CO 0.00 -0.01 0.47 -0.65 -0.68 0.00 0.00 175.30 174.43 3b6p s GLN 98 N -1.86 3.47 1.00 3.54 -0.21 -1.26 -4.40 119.66 119.94 3b6p s GLN 98 Ca 0.50 -0.49 -0.12 0.00 0.02 0.00 0.00 55.36 55.27 3b6p s GLN 98 Cb -0.31 -2.75 0.19 0.00 1.00 0.00 0.00 33.01 31.14 3b6p s GLN 98 CO 0.39 0.26 1.08 1.03 -2.12 0.00 0.00 175.29 175.94 3b6p s ARG 99 N -4.14 0.42 -0.89 2.91 1.81 -1.26 -1.77 118.95 116.04 3b6p s ARG 99 Ca 0.38 0.77 -0.25 0.00 -1.72 0.00 0.00 55.73 54.91 3b6p s ARG 99 Cb -0.09 -1.72 -0.03 0.00 -0.45 0.00 0.00 34.95 32.66 3b6p s ARG 99 CO 0.33 -2.80 1.87 0.12 -0.68 0.00 0.00 175.30 174.15 3b6p s PHE 100 N -2.81 1.88 0.25 -0.53 5.36 -1.26 -4.84 117.98 116.03 3b6p s PHE 100 Ca 0.65 0.47 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 3b6p s PHE 100 Cb -0.20 -4.13 -0.00 0.00 -0.34 0.00 0.00 43.02 38.35 3b6p s PHE 100 CO 0.59 -1.82 0.01 -0.40 -1.46 0.00 0.00 175.22 172.14 3b6p n ASP 101 N 13.23 2.47 -0.37 6.13 5.68 -1.26 -4.95 116.55 137.47 3b6p n ASP 101 Ca 0.37 -2.12 -0.01 0.00 -0.50 0.00 0.00 54.79 52.53 3b6p n ASP 101 Cb 0.48 0.23 0.13 0.00 -1.14 0.00 0.00 41.12 40.82 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 0.65 1.13 -0.68 -1.12 3.32 -1.99 -2.42 116.42 115.30 3b6p h ASP 102 Ca -0.21 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.84 3b6p h ASP 102 Cb 0.64 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3b6p h ASP 102 CO 0.34 0.80 0.45 -1.13 -1.72 0.00 0.00 179.24 177.98 3b6p h ASN 103 N 1.32 0.75 -0.45 6.45 -1.24 -1.96 -1.29 115.58 119.16 3b6p h ASN 103 Ca 0.38 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.27 3b6p h ASN 103 Cb -0.10 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.75 3b6p h ASN 103 CO -0.10 0.53 -0.11 0.25 -1.29 0.00 0.00 177.43 176.72 3b6p h LEU 104 N 0.88 0.92 -0.82 0.34 5.85 -1.78 -0.47 115.31 120.23 3b6p h LEU 104 Ca 0.26 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3b6p h LEU 104 Cb -0.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3b6p h LEU 104 CO -0.06 1.04 0.04 0.00 -0.34 0.00 0.00 178.44 179.11 3b6p h ALA 105 N 1.05 1.02 -0.52 1.25 0.00 -1.17 -0.24 119.26 120.65 3b6p h ALA 105 Ca 0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3b6p h ALA 105 Cb 0.64 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3b6p h ALA 105 CO 0.04 0.61 0.13 0.82 0.00 0.00 0.00 179.25 180.86 3b6p h ILE 106 N 0.87 1.24 -0.08 0.00 2.04 -1.08 -1.37 117.51 119.13 3b6p h ILE 106 Ca 0.17 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3b6p h ILE 106 Cb 0.45 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3b6p h ILE 106 CO 0.02 0.31 0.06 0.25 0.00 0.00 0.00 178.15 178.79 3b6p h LEU 107 N 0.73 0.10 -0.71 1.44 6.46 -0.76 -2.01 115.31 120.57 3b6p h LEU 107 Ca 0.16 -0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 3b6p h LEU 107 Cb 0.33 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 3b6p h LEU 107 CO 0.00 0.07 0.27 -0.07 -0.62 0.00 0.00 178.44 178.09 3b6p h LEU 108 N 0.11 0.98 -0.29 2.25 3.38 -1.00 -2.05 115.31 118.69 3b6p h LEU 108 Ca 0.03 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3b6p h LEU 108 Cb -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3b6p h LEU 108 CO -0.01 0.90 0.14 -0.09 0.09 0.00 0.00 178.44 179.47 3b6p h ARG 109 N 1.01 0.29 -0.39 1.13 2.43 -1.09 0.10 114.38 117.87 3b6p h ARG 109 Ca 0.23 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 3b6p h ARG 109 Cb 0.23 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3b6p h ARG 109 CO -0.02 0.19 -0.04 0.00 -1.51 0.00 0.00 179.97 178.60 3b6p h ALA 110 N 1.15 1.21 -0.32 2.80 0.00 -1.24 0.71 119.26 123.58 3b6p h ALA 110 Ca 0.12 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3b6p h ALA 110 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3b6p h ALA 110 CO -0.09 0.52 -0.03 0.35 0.00 0.00 0.00 179.25 180.00 3b6p h PHE 111 N 0.60 0.65 -0.16 0.00 3.57 -1.03 -3.04 116.94 117.54 3b6p h PHE 111 Ca 0.12 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3b6p h PHE 111 Cb 0.44 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3b6p h PHE 111 CO 0.02 0.73 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.41 3b6p h LEU 112 N 0.38 0.34 -1.74 0.59 3.38 -0.73 -3.00 115.31 114.52 3b6p h LEU 112 Ca 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3b6p h LEU 112 Cb 0.50 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3b6p h LEU 112 CO 0.02 0.67 -0.14 -0.61 0.09 0.00 0.00 178.44 178.48 3b6p h GLN 113 N 0.28 0.00 0.00 1.13 5.75 -0.80 -2.17 115.11 119.31 3b6p h GLN 113 Ca 0.03 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3b6p h GLN 113 Cb 0.75 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.30 3b6p h GLN 113 CO 0.06 0.14 0.00 0.54 -2.65 0.00 0.00 178.83 176.91 3b6p n ARG 114 N -4.35 0.02 -3.73 1.69 1.74 -1.13 -4.80 116.66 106.10 3b6p n ARG 114 Ca -0.03 0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.79 3b6p n ARG 114 Cb 0.21 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 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 -2.97 3.77 0.24 5.56 -1.52 -0.82 -5.06 119.66 118.86 3b6p s GLN 115 Ca 0.12 -0.00 -0.31 0.00 -1.95 0.00 0.00 55.36 53.22 3b6p s GLN 115 Cb 0.15 -3.27 -0.11 0.00 -0.22 0.00 0.00 33.01 29.56 3b6p s GLN 115 CO 0.41 0.61 1.63 -2.14 -0.25 0.00 0.00 175.29 175.55 3b6p s PRO 116 N -0.60 4.15 0.27 2.91 0.02 -1.26 -4.97 135.00 135.51 3b6p s PRO 116 Ca 0.16 2.54 -0.04 0.00 0.02 0.00 0.00 61.00 63.68 3b6p s PRO 116 Cb -0.13 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 3b6p s PRO 116 CO 0.05 -0.66 0.52 -0.65 -0.33 0.00 0.00 177.00 175.92 3b6p s GLN 117 N 0.43 3.61 0.51 5.54 -1.52 -1.26 -3.72 119.66 123.26 3b6p s GLN 117 Ca 0.69 -0.06 -0.19 0.00 -1.95 0.00 0.00 55.36 53.84 3b6p s GLN 117 Cb -0.48 -2.69 -0.07 0.00 -0.22 0.00 0.00 33.01 29.55 3b6p s GLN 117 CO 0.39 0.26 1.06 -1.25 -0.25 0.00 0.00 175.29 175.50 3b6p s PRO 118 N -3.46 3.65 0.00 2.91 0.04 -1.26 -4.65 135.00 132.22 3b6p s PRO 118 Ca 0.43 1.39 0.03 0.00 0.04 0.00 0.00 61.00 62.89 3b6p s PRO 118 Cb -0.11 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3b6p s PRO 118 CO 0.29 -0.57 -0.07 0.00 0.04 0.00 0.00 177.00 176.70 3b6p s LEU 121 N 1.77 4.46 -0.21 0.00 1.43 0.64 -0.47 118.68 126.31 3b6p s LEU 121 Ca 0.04 2.03 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 3b6p s LEU 121 Cb -0.13 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.53 3b6p s LEU 121 CO -0.06 -0.25 -0.16 -0.69 0.23 0.00 0.00 176.35 175.42 3b6p s VAL 122 N 0.05 2.17 -0.01 -1.59 1.01 0.12 -0.53 120.40 121.62 3b6p s VAL 122 Ca 0.51 -1.11 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3b6p s VAL 122 Cb -0.28 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3b6p s VAL 122 CO 0.33 0.37 -0.01 0.00 0.00 0.00 0.00 175.10 175.79 3b6p s ALA 123 N 1.25 0.23 -0.16 5.51 0.00 -1.12 -0.12 121.76 127.35 3b6p s ALA 123 Ca 0.01 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 3b6p s ALA 123 Cb -0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3b6p s ALA 123 CO -0.10 -0.00 1.13 -1.58 0.00 0.00 0.00 175.76 175.21 3b6p s HIS 124 N 0.40 3.19 -1.44 0.00 2.46 -1.26 -2.14 115.29 116.50 3b6p s HIS 124 Ca -0.04 1.30 -0.03 0.00 0.47 0.00 0.00 55.06 56.76 3b6p s HIS 124 Cb -0.06 -3.36 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 3b6p s HIS 124 CO -0.01 -0.96 0.41 -1.71 -2.47 0.00 0.00 174.74 170.00 3b6p n ASN 125 N 5.99 -5.57 -0.20 9.88 4.05 -1.26 -4.85 115.26 123.30 3b6p n ASN 125 Ca 0.12 -0.20 -0.09 0.00 0.45 0.00 0.00 54.58 54.86 3b6p n ASN 125 Cb 0.46 -4.46 0.02 0.00 1.23 0.00 0.00 39.78 37.03 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 -0.94 1.07 2.00 8.20 0.00 -1.76 -1.46 103.07 110.18 3b6p h GLY 126 Ca -0.46 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.04 3b6p h GLY 126 CO 0.51 0.72 -0.18 -0.55 0.00 0.00 0.00 176.54 177.04 3b6p h ASP 127 N 0.88 0.00 0.00 0.19 5.19 -1.91 0.47 116.42 121.24 3b6p h ASP 127 Ca 0.16 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 3b6p h ASP 127 Cb 0.54 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 3b6p h ASP 127 CO 0.03 0.18 -1.87 0.54 -3.12 0.00 0.00 179.24 175.00 3b6p n ARG 128 N -4.20 0.60 0.00 3.56 1.74 -1.20 -4.66 116.66 112.50 3b6p n ARG 128 Ca -0.02 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3b6p n ARG 128 Cb 0.25 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.18 0.00 -0.00 -1.55 9.36 -0.56 -4.86 117.16 117.38 3b6p n TYR 129 Ca -0.05 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.07 3b6p n TYR 129 Cb 0.52 0.15 -0.05 0.00 -0.63 0.00 0.00 39.34 39.33 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 -0.08 0.01 2.98 5.19 -1.54 -1.71 116.42 121.28 3b6p h ASP 130 Ca 0.00 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3b6p h ASP 130 Cb 0.00 0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3b6p h ASP 130 CO 0.00 -0.03 -0.01 -0.26 -3.12 0.00 0.00 179.24 175.83 3b6p h PHE 131 N 0.01 -0.02 -0.41 4.55 0.05 -1.21 -1.79 116.94 118.13 3b6p h PHE 131 Ca 0.05 -0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.82 3b6p h PHE 131 Cb 0.07 0.01 -0.02 0.00 2.00 0.00 0.00 35.95 38.00 3b6p h PHE 131 CO -0.14 0.38 0.16 -1.35 -0.18 0.00 0.00 178.31 177.18 3b6p h PRO 132 N -0.42 0.58 -0.27 1.51 0.11 -1.71 -0.80 132.00 131.00 3b6p h PRO 132 Ca -0.00 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 3b6p h PRO 132 Cb 0.41 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3b6p h PRO 132 CO 0.00 0.48 -0.12 1.25 -0.21 0.00 0.00 178.00 179.41 3b6p h LEU 133 N 0.58 0.58 -1.02 2.35 6.46 -1.30 0.23 115.31 123.18 3b6p h LEU 133 Ca 0.14 -0.40 -0.07 0.00 -0.12 0.00 0.00 57.88 57.43 3b6p h LEU 133 Cb 0.12 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 3b6p h LEU 133 CO -0.01 0.85 -0.11 0.25 -0.62 0.00 0.00 178.44 178.80 3b6p h LEU 134 N 0.30 0.56 -0.97 2.25 5.85 -1.15 -1.42 115.31 120.73 3b6p h LEU 134 Ca 0.06 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 3b6p h LEU 134 Cb 0.63 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3b6p h LEU 134 CO 0.04 0.70 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.21 3b6p h GLN 135 N 0.53 0.72 -0.19 1.25 5.75 -1.07 -1.94 115.11 120.18 3b6p h GLN 135 Ca 0.10 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 3b6p h GLN 135 Cb 0.50 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 3b6p h GLN 135 CO 0.03 0.75 -0.09 1.15 -2.65 0.00 0.00 178.83 178.02 3b6p h THR 136 N 0.68 1.31 -0.71 2.39 2.02 -0.89 -2.35 112.91 115.35 3b6p h THR 136 Ca 0.13 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 3b6p h THR 136 Cb 0.45 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3b6p h THR 136 CO 0.02 0.34 0.24 -0.33 0.37 0.00 0.00 175.52 176.16 3b6p h GLU 137 N 0.08 1.08 0.00 6.66 4.39 -1.18 -2.60 114.58 123.01 3b6p h GLU 137 Ca 0.04 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 3b6p h GLU 137 Cb 0.57 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3b6p h GLU 137 CO 0.03 0.91 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.49 3b6p h LEU 138 N 1.05 0.00 -0.89 1.33 3.38 -1.40 -3.16 115.31 115.61 3b6p h LEU 138 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 3b6p h LEU 138 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3b6p h LEU 138 CO -0.01 0.23 -0.46 0.00 0.09 0.00 0.00 178.44 178.28 3b6p h ALA 139 N 1.77 1.01 0.00 1.53 0.00 -1.02 -3.02 119.26 119.53 3b6p h ALA 139 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3b6p h ALA 139 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3b6p h ALA 139 CO 0.03 0.58 -0.20 0.00 0.00 0.00 0.00 179.25 179.65 3b6p h ARG 140 N 0.00 0.00 -7.06 0.00 3.08 -1.49 -3.45 114.38 105.46 3b6p h ARG 140 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 3b6p h ARG 140 Cb 0.96 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.03 3b6p h ARG 140 CO 0.06 0.20 0.25 -0.51 -1.07 0.00 0.00 179.97 178.91 3b6p s LEU 141 N -7.86 3.63 0.02 3.04 1.43 -1.14 -5.01 118.68 112.79 3b6p s LEU 141 Ca -0.03 1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 54.18 3b6p s LEU 141 Cb 0.14 -4.23 -0.23 0.00 0.03 0.00 0.00 46.19 41.90 3b6p s LEU 141 CO 0.65 -0.57 1.13 0.77 0.23 0.00 0.00 176.35 178.57 3b6p h SER 142 N 0.71 0.62 -3.29 2.29 4.64 -1.88 -3.45 113.55 113.19 3b6p h SER 142 Ca -0.46 -0.74 -0.53 0.00 -0.47 0.00 0.00 61.79 59.59 3b6p h SER 142 Cb 1.19 -0.19 0.05 0.00 -0.31 0.00 0.00 62.40 63.14 3b6p h SER 142 CO 0.62 1.28 0.74 0.42 -0.87 0.00 0.00 176.83 179.02 3b6p s THR 143 N -3.29 2.88 0.65 2.95 -4.23 -1.26 -4.98 115.64 108.36 3b6p s THR 143 Ca -0.12 0.71 -0.18 0.00 -1.18 0.00 0.00 61.69 60.92 3b6p s THR 143 Cb 0.04 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.41 3b6p s THR 143 CO 0.84 0.10 1.07 -2.65 -0.54 0.00 0.00 174.62 173.44 3b6p n PRO 144 N 2.74 0.86 -1.69 3.99 -0.02 -1.26 -4.88 135.00 134.75 3b6p n PRO 144 Ca 0.08 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.47 3b6p n PRO 144 Cb 0.41 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3b6p n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3b6p n SER 145 N -1.38 3.95 0.00 2.55 2.88 -1.26 -4.88 113.62 115.48 3b6p n SER 145 Ca 0.14 1.00 0.09 0.00 -1.33 0.00 0.00 58.87 58.77 3b6p n SER 145 Cb 0.48 -1.53 0.44 0.00 -0.75 0.00 0.00 64.21 62.85 3b6p n SER 145 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3b6p n PRO 146 N 5.49 0.12 -0.07 -1.46 -0.04 -1.26 -2.77 135.00 135.01 3b6p n PRO 146 Ca 0.18 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 3b6p n PRO 146 Cb 0.36 -1.50 0.26 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 -1.41 2.63 -4.63 1.53 4.77 -1.26 -4.83 117.00 113.81 3b6p n LEU 147 Ca 0.07 -0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 54.62 3b6p n LEU 147 Cb 0.19 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3b6p n LEU 147 CO 0.16 0.50 1.24 -0.62 -1.33 0.00 0.00 177.39 177.34 3b6p s ASP 148 N -1.79 6.57 0.00 -1.43 2.15 -1.12 -2.35 116.67 118.71 3b6p s ASP 148 Ca 0.34 1.46 0.00 0.00 0.43 0.00 0.00 52.55 54.78 3b6p s ASP 148 Cb 0.21 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3b6p s ASP 148 CO 0.31 -1.13 0.00 0.61 -0.17 0.00 0.00 175.17 174.79 3b6p n GLY 149 N 4.40 2.15 3.89 2.66 0.00 -1.26 -5.08 105.19 111.94 3b6p n GLY 149 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.07 4.98 0.48 2.61 -4.23 -0.99 -4.74 115.64 111.68 3b6p s THR 150 Ca 0.00 0.27 0.07 0.00 -1.18 0.00 0.00 61.69 60.85 3b6p s THR 150 Cb 0.00 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.20 3b6p s THR 150 CO 0.00 -0.18 0.65 -0.36 -0.54 0.00 0.00 174.62 174.19 3b6p s PHE 151 N -1.94 2.60 0.03 3.99 0.08 0.17 -1.34 117.98 121.57 3b6p s PHE 151 Ca 0.46 -0.36 -0.13 0.00 0.12 0.00 0.00 56.93 57.01 3b6p s PHE 151 Cb -0.11 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 39.91 3b6p s PHE 151 CO 0.25 -0.65 0.29 0.00 -0.10 0.00 0.00 175.22 175.02 3b6p s VAL 153 N -2.30 0.02 -0.15 0.00 0.11 0.31 -2.15 120.40 116.23 3b6p s VAL 153 Ca -0.07 -0.13 -0.20 0.00 -2.93 0.00 0.00 61.98 58.64 3b6p s VAL 153 Cb -0.02 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3b6p s VAL 153 CO -0.02 -0.07 0.60 -0.62 -3.33 0.00 0.00 175.10 171.66 3b6p s ASP 154 N -0.48 6.73 0.42 3.54 -1.08 -1.26 -2.80 116.67 121.74 3b6p s ASP 154 Ca -0.06 0.89 0.28 0.00 -0.52 0.00 0.00 52.55 53.13 3b6p s ASP 154 Cb -0.03 -2.34 0.91 0.00 -1.46 0.00 0.00 42.92 40.00 3b6p s ASP 154 CO 0.04 -0.17 1.80 0.77 0.52 0.00 0.00 175.17 178.12 3b6p h SER 155 N 7.16 0.00 0.12 -0.34 4.64 -1.88 -2.85 113.55 120.40 3b6p h SER 155 Ca -0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 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 0.76 0.00 -0.06 0.40 -0.87 0.00 0.00 176.83 177.06 3b6p h ILE 156 N 0.00 0.93 0.00 0.95 2.04 -1.92 0.17 117.51 119.68 3b6p h ILE 156 Ca 0.00 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3b6p h ILE 156 Cb 0.67 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3b6p h ILE 156 CO 0.00 0.05 -0.23 0.00 0.00 0.00 0.00 178.15 177.97 3b6p h ALA 157 N 0.62 1.56 0.13 1.87 0.00 -1.96 0.98 119.26 122.47 3b6p h ALA 157 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3b6p h ALA 157 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3b6p h ALA 157 CO 0.03 0.28 -0.06 0.00 0.00 0.00 0.00 179.25 179.50 3b6p h ALA 158 N 1.77 -0.18 -0.11 0.00 0.00 -1.25 -2.86 119.26 116.63 3b6p h ALA 158 Ca -0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3b6p h ALA 158 Cb 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3b6p h ALA 158 CO 0.03 -0.40 -0.41 -0.07 0.00 0.00 0.00 179.25 178.40 3b6p h LEU 159 N -0.57 0.26 -1.68 0.00 -0.00 -0.46 -1.43 115.31 111.43 3b6p h LEU 159 Ca -0.02 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 57.72 3b6p h LEU 159 Cb 0.45 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 3b6p h LEU 159 CO 0.03 0.65 -0.15 0.11 -0.00 0.00 0.00 178.44 179.08 3b6p h LYS 160 N 0.21 0.01 0.16 1.13 1.57 -0.87 0.73 116.57 119.51 3b6p h LYS 160 Ca 0.02 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 3b6p h LYS 160 Cb 0.82 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.15 3b6p h LYS 160 CO 0.06 0.16 -1.14 0.00 -0.57 0.00 0.00 179.45 177.96 3b6p h ALA 161 N 1.84 -0.03 -0.10 3.86 0.00 -1.22 -3.20 119.26 120.42 3b6p h ALA 161 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 54.91 53.96 3b6p h ALA 161 Cb 0.28 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3b6p h ALA 161 CO 0.02 0.58 -0.34 -0.07 0.00 0.00 0.00 179.25 179.44 3b6p h LEU 162 N -0.23 0.48 -0.92 0.00 3.38 -1.13 -3.27 115.31 113.61 3b6p h LEU 162 Ca -0.22 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 57.04 3b6p h LEU 162 Cb 1.80 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3b6p h LEU 162 CO 0.15 1.01 -0.47 -0.08 0.09 0.00 0.00 178.44 179.14 3b6p h GLU 163 N -0.02 0.00 -1.88 1.13 4.81 -1.05 -3.16 114.58 114.41 3b6p h GLU 163 Ca -0.01 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.46 3b6p h GLU 163 Cb 0.97 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.07 3b6p h GLU 163 CO 0.07 0.47 0.98 1.04 -0.73 0.00 0.00 179.01 180.84 3b6p n GLN 164 N -3.72 2.77 0.00 1.92 6.02 -1.21 -5.08 117.38 118.08 3b6p n GLN 164 Ca -0.01 -3.54 0.00 0.00 -0.01 0.00 0.00 57.00 53.45 3b6p n GLN 164 Cb 0.54 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.53 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 -0.58 0.69 -0.12 -1.58 0.00 -1.20 -4.91 120.51 112.82 3b6p n ALA 165 Ca 0.54 -0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.58 3b6p n ALA 165 Cb 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.63 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 0.62 -2.92 0.00 4.76 -1.26 -5.01 118.16 114.36 3b6p n LYS 175 Ca 0.00 0.27 -0.40 0.00 -2.87 0.00 0.00 58.31 55.31 3b6p n LYS 175 Cb 0.42 -1.56 -0.05 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 -7.05 7.34 -0.30 4.39 0.15 -1.26 -4.97 113.70 111.98 3b6p s SER 176 Ca -0.34 1.59 0.09 0.00 0.70 0.00 0.00 55.95 57.98 3b6p s SER 176 Cb 0.11 -2.51 0.53 0.00 -1.71 0.00 0.00 66.02 62.44 3b6p s SER 176 CO 0.57 0.05 1.52 -1.22 1.20 0.00 0.00 173.24 175.36 3b6p n TYR 177 N 2.45 1.31 -1.96 3.44 4.01 -1.26 -4.47 117.16 120.68 3b6p n TYR 177 Ca -0.02 -1.59 -0.33 0.00 -0.16 0.00 0.00 57.90 55.80 3b6p n TYR 177 Cb 0.49 -0.54 0.03 0.00 -0.31 0.00 0.00 39.34 39.01 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 -2.35 5.46 0.21 7.72 1.04 -1.26 -4.87 113.70 119.64 3b6p s SER 178 Ca 0.46 1.98 -0.10 0.00 0.48 0.00 0.00 55.95 58.77 3b6p s SER 178 Cb 0.41 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 64.27 3b6p s SER 178 CO 0.02 -1.39 1.71 0.25 0.98 0.00 0.00 173.24 174.80 3b6p h LEU 179 N 0.42 0.00 -0.37 2.42 5.85 -1.97 -2.12 115.31 119.54 3b6p h LEU 179 Ca -0.47 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3b6p h LEU 179 Cb 1.24 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 3b6p h LEU 179 CO 0.56 0.01 0.15 1.23 -0.34 0.00 0.00 178.44 180.04 3b6p h GLY 180 N 0.26 0.60 1.01 3.75 0.00 -1.99 -2.57 103.07 104.13 3b6p h GLY 180 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3b6p h GLY 180 CO -0.40 0.31 0.46 1.76 0.00 0.00 0.00 176.54 178.67 3b6p h SER 181 N 0.46 0.86 -0.41 0.19 0.02 -1.72 -1.00 113.55 111.94 3b6p h SER 181 Ca 0.12 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 3b6p h SER 181 Cb 0.19 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3b6p h SER 181 CO -0.01 0.65 -0.32 0.40 -1.14 0.00 0.00 176.83 176.40 3b6p h ILE 182 N 0.99 1.27 -0.62 3.27 2.04 -1.43 -1.96 117.51 121.07 3b6p h ILE 182 Ca 0.26 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 3b6p h ILE 182 Cb -0.07 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3b6p h ILE 182 CO -0.05 0.51 0.26 0.22 0.00 0.00 0.00 178.15 179.08 3b6p h TYR 183 N 0.79 0.94 -0.15 1.37 3.20 -1.15 -2.09 116.97 119.89 3b6p h TYR 183 Ca 0.08 -0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 3b6p h TYR 183 Cb 0.91 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3b6p h TYR 183 CO 0.06 0.74 -0.56 1.79 -1.64 0.00 0.00 178.16 178.55 3b6p h THR 184 N 0.87 1.34 -0.44 1.81 1.35 -1.16 -2.00 112.91 114.67 3b6p h THR 184 Ca 0.21 -1.83 -0.05 0.00 -0.55 0.00 0.00 66.41 64.19 3b6p h THR 184 Cb 0.19 1.82 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 3b6p h THR 184 CO -0.02 0.56 0.07 0.03 -0.25 0.00 0.00 175.52 175.91 3b6p h ARG 185 N 0.36 0.74 0.04 4.72 3.08 -1.23 0.11 114.38 122.20 3b6p h ARG 185 Ca 0.00 -0.20 -0.23 0.00 0.07 0.00 0.00 59.98 59.62 3b6p h ARG 185 Cb 1.09 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 3b6p h ARG 185 CO 0.10 0.76 -1.01 -0.07 -1.07 0.00 0.00 179.97 178.68 3b6p h LEU 186 N 0.60 0.43 -0.82 3.04 3.38 -1.37 -3.38 115.31 117.18 3b6p h LEU 186 Ca 0.13 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3b6p h LEU 186 Cb 0.39 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3b6p h LEU 186 CO 0.01 1.21 0.00 -1.22 0.09 0.00 0.00 178.44 178.53 3b6p n TYR 187 N -3.66 0.00 -2.06 1.13 4.02 -0.76 -4.11 117.16 111.72 3b6p n TYR 187 Ca -0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.66 3b6p n TYR 187 Cb 0.88 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.17 3b6p n TYR 187 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3b6p n TRP 188 N -0.04 -0.83 -4.26 -0.72 7.02 0.39 -4.92 117.44 114.08 3b6p n TRP 188 Ca 0.00 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.29 3b6p n TRP 188 Cb 0.03 -3.21 -0.13 0.00 -2.42 0.00 0.00 31.31 25.58 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 -4.42 0.87 0.20 -0.99 -0.21 -1.26 -5.04 119.66 108.81 3b6p s GLN 189 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 55.36 54.24 3b6p s GLN 189 Cb 0.00 -0.87 -0.08 0.00 1.00 0.00 0.00 33.01 33.05 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 -1.05 3.37 0.55 6.09 0.00 -1.26 -3.73 121.76 125.73 3b6p s ALA 190 Ca -0.00 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 3b6p s ALA 190 Cb -0.09 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3b6p s ALA 190 CO 0.02 -0.15 1.20 -1.25 0.00 0.00 0.00 175.76 175.57 3b6p s PRO 191 N -0.68 3.23 -0.01 0.00 0.04 -1.26 -5.04 135.00 131.28 3b6p s PRO 191 Ca 0.47 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 63.28 3b6p s PRO 191 Cb -0.29 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3b6p s PRO 191 CO 0.36 -1.00 0.20 0.95 0.04 0.00 0.00 177.00 177.55 3b6p s THR 192 N -1.60 5.41 -1.22 1.26 -4.23 -1.26 -4.53 115.64 109.48 3b6p s THR 192 Ca 0.73 -0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 61.16 3b6p s THR 192 Cb -0.29 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 3b6p s THR 192 CO 0.33 0.35 0.90 0.47 -0.54 0.00 0.00 174.62 176.13 3b6p n ASP 193 N 1.03 -2.22 -4.77 3.99 8.00 -1.26 -4.69 116.55 116.64 3b6p n ASP 193 Ca -0.11 -0.69 -0.40 0.00 0.71 0.00 0.00 54.79 54.29 3b6p n ASP 193 Cb 0.53 -4.80 -0.00 0.00 -0.02 0.00 0.00 41.12 36.83 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 -4.27 6.30 -1.66 -2.24 0.01 -1.26 -3.06 113.70 107.52 3b6p s SER 194 Ca 0.05 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.09 3b6p s SER 194 Cb -0.01 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.57 3b6p s SER 194 CO 0.76 -0.87 0.00 1.41 0.41 0.00 0.00 173.24 174.95 3b6p n HIS 195 N 0.22 -0.65 -4.73 2.43 8.25 -1.26 -4.81 115.22 114.68 3b6p n HIS 195 Ca 0.03 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.17 3b6p n HIS 195 Cb 0.42 -3.48 -0.12 0.00 1.12 0.00 0.00 29.99 27.92 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 -2.85 3.13 0.17 1.59 -4.23 -1.17 -4.07 115.64 108.20 3b6p s THR 196 Ca 0.00 -0.86 -0.14 0.00 -1.18 0.00 0.00 61.69 59.51 3b6p s THR 196 Cb 0.00 -2.28 0.07 0.00 1.34 0.00 0.00 72.50 71.62 3b6p s THR 196 CO 0.00 0.48 1.75 0.00 -0.54 0.00 0.00 174.62 176.30 3b6p h ALA 197 N 4.93 0.52 -0.17 3.99 0.00 -1.88 0.08 119.26 126.73 3b6p h ALA 197 Ca -0.47 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 3b6p h ALA 197 Cb 1.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3b6p h ALA 197 CO 0.50 -0.25 -0.42 1.49 0.00 0.00 0.00 179.25 180.57 3b6p h GLU 198 N 0.31 0.59 -0.82 0.00 4.81 -1.89 -2.34 114.58 115.23 3b6p h GLU 198 Ca 0.21 -0.41 0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3b6p h GLU 198 Cb 0.21 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 3b6p h GLU 198 CO -0.22 1.02 0.52 0.78 -0.73 0.00 0.00 179.01 180.38 3b6p h GLY 199 N 0.25 1.19 2.00 1.92 0.00 -1.67 -0.57 103.07 106.19 3b6p h GLY 199 Ca -0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 3b6p h GLY 199 CO 0.09 0.33 -0.45 -0.55 0.00 0.00 0.00 176.54 175.96 3b6p h ASP 200 N 1.01 0.00 -0.25 0.19 3.32 -1.01 -1.44 116.42 118.24 3b6p h ASP 200 Ca 0.33 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.22 3b6p h ASP 200 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3b6p h ASP 200 CO -0.12 0.45 -0.48 0.58 -1.72 0.00 0.00 179.24 177.96 3b6p h VAL 201 N 0.00 1.30 -0.19 -1.35 2.07 -0.84 -1.17 116.25 116.07 3b6p h VAL 201 Ca -0.00 -1.68 -0.13 0.00 0.82 0.00 0.00 66.70 65.71 3b6p h VAL 201 Cb 1.00 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3b6p h VAL 201 CO 0.06 0.54 -0.45 -0.07 0.02 0.00 0.00 177.57 177.67 3b6p h LEU 202 N 0.50 0.50 -0.49 2.57 3.38 -1.02 -0.32 115.31 120.44 3b6p h LEU 202 Ca 0.01 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 3b6p h LEU 202 Cb 1.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3b6p h LEU 202 CO 0.11 0.88 -0.01 0.74 0.09 0.00 0.00 178.44 180.25 3b6p h THR 203 N 0.38 1.26 -0.63 0.22 2.02 -1.28 -2.49 112.91 112.38 3b6p h THR 203 Ca 0.03 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 3b6p h THR 203 Cb 0.94 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 3b6p h THR 203 CO 0.08 0.38 0.22 0.25 0.37 0.00 0.00 175.52 176.82 3b6p h LEU 204 N 0.73 0.91 -0.44 2.58 5.85 -0.96 -2.57 115.31 121.41 3b6p h LEU 204 Ca 0.14 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3b6p h LEU 204 Cb 0.53 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3b6p h LEU 204 CO 0.03 0.86 0.28 0.25 -0.34 0.00 0.00 178.44 179.51 3b6p h LEU 205 N 0.90 0.46 -0.90 2.25 5.85 -1.02 -1.21 115.31 121.65 3b6p h LEU 205 Ca 0.21 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3b6p h LEU 205 Cb 0.26 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3b6p h LEU 205 CO -0.01 0.33 0.55 0.28 -0.34 0.00 0.00 178.44 179.25 3b6p h SER 206 N 0.56 1.07 -0.41 1.25 0.02 -1.31 0.01 113.55 114.74 3b6p h SER 206 Ca 0.17 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 3b6p h SER 206 Cb -0.03 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 3b6p h SER 206 CO -0.06 0.81 -0.24 0.40 -1.14 0.00 0.00 176.83 176.61 3b6p h ILE 207 N 1.23 1.27 0.00 3.27 2.04 -1.27 -2.92 117.51 121.13 3b6p h ILE 207 Ca 0.32 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 3b6p h ILE 207 Cb -0.07 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3b6p h ILE 207 CO -0.06 0.48 -0.04 0.00 0.00 0.00 0.00 178.15 178.52 3b6p n GLN 209 N -3.14 0.98 0.14 0.00 6.02 -0.04 -3.72 117.38 117.61 3b6p n GLN 209 Ca 0.01 -0.24 -0.13 0.00 -0.01 0.00 0.00 57.00 56.63 3b6p n GLN 209 Cb 0.39 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 30.07 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 0.60 -0.33 -2.47 1.08 7.01 -1.49 -3.36 115.95 116.98 3b6p h TRP 210 Ca 0.00 -0.01 -0.60 0.00 2.11 0.00 0.00 58.89 60.40 3b6p h TRP 210 Cb 0.22 0.11 -0.40 0.00 -2.10 0.00 0.00 29.16 26.99 3b6p h TRP 210 CO 0.00 -0.03 -0.78 1.63 -2.79 0.00 0.00 178.44 176.48 3b6p n LYS 211 N -5.13 1.40 0.13 2.65 5.02 -1.26 -3.61 118.16 117.37 3b6p n LYS 211 Ca -0.09 -3.98 -0.02 0.00 -2.02 0.00 0.00 58.31 52.20 3b6p n LYS 211 Cb 0.24 -1.92 0.15 0.00 -0.02 0.00 0.00 35.03 33.47 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 4.86 0.00 -0.14 1.97 0.13 -1.72 -0.07 132.00 137.04 3b6p h PRO 212 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 3b6p h PRO 212 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3b6p h PRO 212 CO 0.62 0.65 -0.26 1.96 -0.23 0.00 0.00 178.00 180.74 3b6p h GLN 213 N 0.00 0.41 0.00 0.86 7.50 -1.88 -2.09 115.11 119.92 3b6p h GLN 213 Ca -0.01 -0.26 -0.09 0.00 0.50 0.00 0.00 58.65 58.79 3b6p h GLN 213 Cb 1.16 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.70 3b6p h GLN 213 CO 0.08 0.86 -0.44 0.00 -1.50 0.00 0.00 178.83 177.84 3b6p h ALA 214 N 0.55 1.27 0.03 3.87 0.00 -1.95 -2.23 119.26 120.80 3b6p h ALA 214 Ca 0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3b6p h ALA 214 Cb 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3b6p h ALA 214 CO 0.06 0.55 -0.02 1.25 0.00 0.00 0.00 179.25 181.09 3b6p h LEU 215 N 0.00 -0.04 -1.20 0.00 7.12 -1.02 -2.29 115.31 117.89 3b6p h LEU 215 Ca -0.00 -0.34 0.02 0.00 0.13 0.00 0.00 57.88 57.69 3b6p h LEU 215 Cb 0.78 0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.87 3b6p h LEU 215 CO 0.06 0.32 0.55 -0.07 -0.13 0.00 0.00 178.44 179.17 3b6p h LEU 216 N -0.40 0.92 -0.70 2.25 3.38 -1.27 0.69 115.31 120.18 3b6p h LEU 216 Ca -0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3b6p h LEU 216 Cb 0.38 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3b6p h LEU 216 CO 0.01 0.64 -0.26 -0.61 0.09 0.00 0.00 178.44 178.31 3b6p h GLN 217 N 1.07 0.72 -0.28 1.13 4.15 -1.43 -2.05 115.11 118.43 3b6p h GLN 217 Ca 0.32 -0.30 -0.16 0.00 0.77 0.00 0.00 58.65 59.28 3b6p h GLN 217 Cb -0.03 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3b6p h GLN 217 CO -0.09 0.91 -0.45 2.35 -1.93 0.00 0.00 178.83 179.62 3b6p h TRP 218 N 0.63 0.89 -0.28 3.99 7.01 -0.79 -3.03 115.95 124.37 3b6p h TRP 218 Ca 0.08 -0.28 -0.00 0.00 2.11 0.00 0.00 58.89 60.80 3b6p h TRP 218 Cb 0.76 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 3b6p h TRP 218 CO 0.04 1.05 0.16 0.28 -2.79 0.00 0.00 178.44 177.17 3b6p h VAL 219 N 0.58 1.12 -0.48 2.65 2.07 -0.76 -1.45 116.25 119.99 3b6p h VAL 219 Ca 0.04 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3b6p h VAL 219 Cb 1.01 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3b6p h VAL 219 CO 0.10 0.12 0.32 0.44 0.02 0.00 0.00 177.57 178.56 3b6p h ASP 220 N 0.34 0.39 0.69 0.57 3.32 -1.37 0.93 116.42 121.29 3b6p h ASP 220 Ca 0.10 -0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.89 3b6p h ASP 220 Cb 0.05 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3b6p h ASP 220 CO -0.02 0.26 -1.34 -0.33 -1.72 0.00 0.00 179.24 176.09 3b6p h GLU 221 N 0.44 0.09 -0.01 3.56 5.08 -1.37 -3.40 114.58 118.97 3b6p h GLU 221 Ca 0.20 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3b6p h GLU 221 Cb 0.25 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3b6p h GLU 221 CO -0.05 0.92 0.00 0.72 -1.00 0.00 0.00 179.01 179.60 3b6p n HIS 222 N -3.32 0.01 -2.23 4.33 8.25 -0.57 -5.02 115.22 116.68 3b6p n HIS 222 Ca -0.09 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 56.93 3b6p n HIS 222 Cb 1.00 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.08 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 -0.32 3.47 0.11 -1.41 0.00 0.30 -4.92 121.76 118.98 3b6p s ALA 223 Ca 0.04 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.22 3b6p s ALA 223 Cb 0.03 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 3b6p s ALA 223 CO 0.04 -0.49 -0.18 -0.98 0.00 0.00 0.00 175.76 174.15 3b6p s ARG 224 N -1.63 1.06 0.36 0.00 1.70 -0.91 -4.93 118.95 114.59 3b6p s ARG 224 Ca 0.48 -1.16 -0.28 0.00 -0.47 0.00 0.00 55.73 54.30 3b6p s ARG 224 Cb -0.37 -1.18 -0.11 0.00 -0.57 0.00 0.00 34.95 32.71 3b6p s ARG 224 CO 0.49 0.26 1.48 -2.30 -1.08 0.00 0.00 175.30 174.15 3b6p n PRO 225 N 0.95 2.62 0.25 3.89 -0.02 -1.26 -0.23 135.00 141.21 3b6p n PRO 225 Ca -0.19 0.92 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 3b6p n PRO 225 Cb 0.55 -2.65 0.66 0.00 -0.02 0.00 0.00 33.50 32.04 3b6p n PRO 225 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3b6p h PHE 226 N 3.16 0.00 0.00 6.00 3.57 -1.45 -2.38 116.94 125.84 3b6p h PHE 226 Ca -0.50 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.00 3b6p h PHE 226 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3b6p h PHE 226 CO 0.53 0.15 0.00 -1.13 -2.23 0.00 0.00 178.31 175.63 3b6p n SER 227 N -3.79 0.28 0.09 0.41 3.41 -1.26 -1.73 113.62 111.02 3b6p n SER 227 Ca -0.02 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 3b6p n SER 227 Cb 0.25 -0.63 0.24 0.00 -0.26 0.00 0.00 64.21 63.81 3b6p n SER 227 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3b6p h THR 228 N 0.00 0.00 -2.83 6.66 1.35 -1.80 -3.46 112.91 112.83 3b6p h THR 228 Ca 0.00 -0.54 -0.56 0.00 -0.55 0.00 0.00 66.41 64.76 3b6p h THR 228 Cb 0.28 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 67.95 3b6p h THR 228 CO 0.00 0.00 0.95 -0.69 -0.25 0.00 0.00 175.52 175.53 3b6p s VAL 229 N -3.16 4.02 0.25 6.82 1.01 -0.71 -5.00 120.40 123.63 3b6p s VAL 229 Ca 0.07 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 3b6p s VAL 229 Cb 0.12 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 3b6p s VAL 229 CO 0.68 -0.10 1.11 -0.54 0.00 0.00 0.00 175.10 176.25 3b6p s LYS 230 N 3.51 4.62 0.58 2.72 1.02 -1.26 -4.96 119.74 125.97 3b6p s LYS 230 Ca 0.61 1.79 -0.20 0.00 0.02 0.00 0.00 55.97 58.20 3b6p s LYS 230 Cb -0.26 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 3b6p s LYS 230 CO 0.20 0.16 1.25 -1.25 -0.92 0.00 0.00 175.35 174.79 3b6p s PRO 231 N -1.12 3.01 0.17 -1.68 0.04 -1.26 -4.40 135.00 129.75 3b6p s PRO 231 Ca 0.46 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 63.30 3b6p s PRO 231 Cb -0.31 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.30 3b6p s PRO 231 CO 0.39 -1.20 1.78 1.98 0.04 0.00 0.00 177.00 179.99 3b6p h MET 232 N 1.06 0.43 -3.45 4.56 4.05 -1.32 -3.46 114.93 116.81 3b6p h MET 232 Ca -0.51 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 58.82 3b6p h MET 232 Cb 1.30 -0.10 -0.14 0.00 -0.80 0.00 0.00 31.60 31.86 3b6p h MET 232 CO 0.56 0.28 -0.19 1.52 0.23 0.00 0.00 176.91 179.31 3b6p s TYR 233 N -6.14 -0.10 0.00 1.39 1.13 -1.26 -5.05 117.35 107.32 3b6p s TYR 233 Ca -0.13 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 3b6p s TYR 233 Cb 0.13 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 41.13 3b6p s TYR 233 CO 0.73 -0.61 0.00 0.41 -2.51 0.00 0.00 175.55 173.57